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 3e76_1_A DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.579 177.584 -0.008 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 3 A N 2.936 125.753 122.820 -0.006 0.000 2.477 3 A HA 0.580 4.900 4.320 -0.000 0.000 0.246 3 A C 0.256 177.835 177.584 -0.008 0.000 1.078 3 A CA 0.292 52.328 52.037 -0.002 0.000 0.770 3 A CB 0.142 19.144 19.000 0.003 0.000 1.011 3 A HN 0.621 nan 8.150 nan 0.000 0.494 4 K N 1.422 121.820 120.400 -0.003 0.000 2.267 4 K HA 0.431 4.751 4.320 -0.000 0.000 0.246 4 K C -1.434 175.173 176.600 0.011 0.000 0.954 4 K CA -0.712 55.569 56.287 -0.011 0.000 0.824 4 K CB 2.091 34.583 32.500 -0.014 0.000 1.167 4 K HN 0.755 nan 8.250 nan 0.000 0.431 5 D N 1.037 121.444 120.400 0.012 0.000 2.278 5 D HA 0.392 5.032 4.640 -0.000 0.000 0.245 5 D C -1.329 175.064 176.300 0.156 0.000 1.052 5 D CA -0.602 53.456 54.000 0.096 0.000 0.834 5 D CB 1.447 42.334 40.800 0.146 0.000 1.194 5 D HN 0.069 nan 8.370 nan 0.000 0.481 6 V N 4.230 124.210 119.914 0.111 0.000 2.483 6 V HA 0.436 4.556 4.120 -0.000 0.000 0.297 6 V C -0.050 175.917 176.094 -0.211 0.000 1.027 6 V CA -0.811 61.460 62.300 -0.047 0.000 0.855 6 V CB 1.772 33.492 31.823 -0.172 0.000 0.995 6 V HN 0.411 nan 8.190 nan 0.000 0.424 7 K N 3.784 123.979 120.400 -0.341 0.000 2.259 7 K HA 0.743 5.063 4.320 -0.000 0.000 0.252 7 K C -1.583 174.701 176.600 -0.526 0.000 0.936 7 K CA -0.501 55.517 56.287 -0.450 0.000 0.810 7 K CB 2.349 34.435 32.500 -0.690 0.000 1.143 7 K HN 0.444 nan 8.250 nan 0.000 0.427 8 F N 0.369 120.275 119.950 -0.074 0.000 2.522 8 F HA 0.425 4.952 4.527 -0.000 0.000 0.324 8 F C 1.202 176.974 175.800 -0.048 0.000 1.077 8 F CA 0.110 58.086 58.000 -0.039 0.000 0.944 8 F CB 1.785 40.772 39.000 -0.022 0.000 1.175 8 F HN 0.839 nan 8.300 nan 0.000 0.468 9 G N 2.477 111.383 108.800 0.176 0.000 2.611 9 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.301 9 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.301 9 G C 1.254 176.176 174.900 0.035 0.000 1.233 9 G CA 0.656 45.812 45.100 0.093 0.000 0.993 9 G HN 0.686 nan 8.290 nan 0.000 0.553 10 N N 0.758 119.472 118.700 0.023 0.000 2.104 10 N HA -0.139 4.601 4.740 -0.000 0.000 0.190 10 N C 1.864 177.362 175.510 -0.019 0.000 1.024 10 N CA 1.988 55.040 53.050 0.003 0.000 0.853 10 N CB -0.410 38.078 38.487 0.002 0.000 1.008 10 N HN 0.593 nan 8.380 nan 0.000 0.424 11 D N 0.361 120.745 120.400 -0.027 0.000 2.149 11 D HA -0.118 4.522 4.640 -0.000 0.000 0.198 11 D C 1.541 177.761 176.300 -0.134 0.000 0.990 11 D CA 1.143 55.100 54.000 -0.072 0.000 0.839 11 D CB 0.096 40.855 40.800 -0.068 0.000 0.948 11 D HN 0.339 nan 8.370 nan 0.000 0.460 12 A N 0.500 123.246 122.820 -0.123 0.000 1.930 12 A HA -0.066 4.254 4.320 -0.000 0.000 0.215 12 A C 2.312 179.850 177.584 -0.078 0.000 1.176 12 A CA 0.783 52.721 52.037 -0.165 0.000 0.632 12 A CB -0.250 18.678 19.000 -0.119 0.000 0.819 12 A HN 0.141 nan 8.150 nan 0.000 0.445 13 R N -0.238 120.240 120.500 -0.036 0.000 2.073 13 R HA -0.074 4.266 4.340 -0.000 0.000 0.229 13 R C 2.084 178.378 176.300 -0.010 0.000 1.120 13 R CA 1.422 57.517 56.100 -0.009 0.000 0.967 13 R CB -0.580 29.720 30.300 0.001 0.000 0.862 13 R HN 0.529 nan 8.270 nan 0.000 0.436 14 V N -0.270 119.631 119.914 -0.023 0.000 2.568 14 V HA -0.179 3.941 4.120 -0.000 0.000 0.253 14 V C 1.678 177.765 176.094 -0.012 0.000 1.072 14 V CA 1.513 63.803 62.300 -0.017 0.000 1.084 14 V CB -0.405 31.404 31.823 -0.022 0.000 0.676 14 V HN 0.122 nan 8.190 nan 0.000 0.469 15 K N -0.232 120.154 120.400 -0.022 0.000 2.167 15 K HA 0.148 4.468 4.320 -0.000 0.000 0.203 15 K C 2.102 178.729 176.600 0.046 0.000 1.052 15 K CA 1.456 57.748 56.287 0.010 0.000 0.956 15 K CB -0.262 32.234 32.500 -0.007 0.000 0.735 15 K HN 0.512 nan 8.250 nan 0.000 0.451 16 M N 0.343 119.967 119.600 0.039 0.000 2.123 16 M HA -0.145 4.335 4.480 -0.000 0.000 0.263 16 M C 2.236 178.554 176.300 0.029 0.000 1.069 16 M CA 1.089 56.415 55.300 0.043 0.000 1.133 16 M CB -0.272 32.351 32.600 0.039 0.000 1.356 16 M HN 0.018 nan 8.290 nan 0.000 0.415 17 L N 0.513 121.748 121.223 0.020 0.000 2.012 17 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 17 L C 2.457 179.336 176.870 0.015 0.000 1.073 17 L CA 1.956 56.805 54.840 0.015 0.000 0.748 17 L CB -0.594 41.471 42.059 0.010 0.000 0.891 17 L HN 0.163 nan 8.230 nan 0.000 0.431 18 R N -0.377 120.132 120.500 0.015 0.000 2.105 18 R HA -0.119 4.221 4.340 -0.000 0.000 0.239 18 R C 2.132 178.444 176.300 0.020 0.000 1.135 18 R CA 1.712 57.821 56.100 0.016 0.000 0.967 18 R CB -1.044 29.266 30.300 0.016 0.000 0.861 18 R HN 0.524 nan 8.270 nan 0.000 0.442 19 G N -0.342 108.474 108.800 0.027 0.000 2.394 19 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.214 19 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.214 19 G C 1.417 176.329 174.900 0.020 0.000 1.176 19 G CA 0.898 46.014 45.100 0.028 0.000 0.786 19 G HN 0.334 nan 8.290 nan 0.000 0.533 20 V N -0.439 119.487 119.914 0.019 0.000 2.515 20 V HA -0.099 4.021 4.120 -0.000 0.000 0.250 20 V C 2.262 178.363 176.094 0.012 0.000 1.058 20 V CA 2.011 64.320 62.300 0.015 0.000 1.064 20 V CB -0.704 31.129 31.823 0.017 0.000 0.675 20 V HN 0.148 nan 8.190 nan 0.000 0.461 21 N N 0.968 119.675 118.700 0.011 0.000 2.223 21 N HA -0.086 4.654 4.740 -0.000 0.000 0.185 21 N C 1.710 177.224 175.510 0.007 0.000 1.016 21 N CA 1.621 54.676 53.050 0.009 0.000 0.863 21 N CB -0.538 37.954 38.487 0.008 0.000 0.983 21 N HN 0.512 nan 8.380 nan 0.000 0.429 22 V N 1.054 120.973 119.914 0.008 0.000 2.270 22 V HA -0.142 3.978 4.120 -0.000 0.000 0.245 22 V C 2.362 178.459 176.094 0.004 0.000 1.043 22 V CA 1.071 63.374 62.300 0.006 0.000 1.014 22 V CB -0.553 31.275 31.823 0.007 0.000 0.645 22 V HN 0.227 nan 8.190 nan 0.000 0.447 23 L N 0.004 121.230 121.223 0.004 0.000 2.046 23 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 23 L C 2.494 179.364 176.870 0.001 0.000 1.077 23 L CA 1.872 56.713 54.840 0.002 0.000 0.747 23 L CB -0.490 41.570 42.059 0.002 0.000 0.896 23 L HN 0.310 nan 8.230 nan 0.000 0.432 24 A N -0.427 122.395 122.820 0.003 0.000 1.855 24 A HA -0.241 4.079 4.320 -0.000 0.000 0.215 24 A C 1.868 179.453 177.584 0.002 0.000 1.191 24 A CA 1.967 54.006 52.037 0.003 0.000 0.613 24 A CB -0.801 18.202 19.000 0.006 0.000 0.829 24 A HN 0.486 nan 8.150 nan 0.000 0.442 25 D N 0.047 120.449 120.400 0.002 0.000 2.218 25 D HA 0.009 4.649 4.640 -0.000 0.000 0.204 25 D C 1.958 178.257 176.300 -0.000 0.000 0.976 25 D CA 1.298 55.299 54.000 0.001 0.000 0.853 25 D CB -0.268 40.533 40.800 0.002 0.000 0.939 25 D HN 0.448 nan 8.370 nan 0.000 0.481 26 A N -0.119 122.701 122.820 -0.001 0.000 2.067 26 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 26 A C 2.214 179.796 177.584 -0.004 0.000 1.156 26 A CA 0.644 52.679 52.037 -0.002 0.000 0.683 26 A CB 0.066 19.064 19.000 -0.002 0.000 0.808 26 A HN 0.160 nan 8.150 nan 0.000 0.455 27 V N 0.438 120.350 119.914 -0.003 0.000 2.788 27 V HA -0.107 4.013 4.120 -0.000 0.000 0.241 27 V C 2.284 178.375 176.094 -0.004 0.000 1.083 27 V CA 1.516 63.813 62.300 -0.005 0.000 1.103 27 V CB -0.269 31.550 31.823 -0.006 0.000 0.800 27 V HN 0.772 nan 8.190 nan 0.000 0.476 28 K N 1.885 122.284 120.400 -0.002 0.000 2.360 28 K HA -0.115 4.205 4.320 -0.000 0.000 0.201 28 K C 1.679 178.278 176.600 -0.001 0.000 1.046 28 K CA 1.821 58.108 56.287 -0.001 0.000 0.945 28 K CB -0.620 31.881 32.500 0.001 0.000 0.750 28 K HN 0.494 nan 8.250 nan 0.000 0.464 29 V N -0.515 119.398 119.914 -0.002 0.000 3.217 29 V HA -0.068 4.052 4.120 -0.000 0.000 0.264 29 V C 1.830 177.922 176.094 -0.003 0.000 1.135 29 V CA 1.363 63.661 62.300 -0.002 0.000 1.142 29 V CB -0.804 31.018 31.823 -0.002 0.000 0.754 29 V HN 0.519 nan 8.190 nan 0.000 0.484 30 T N -2.248 112.304 114.554 -0.004 0.000 3.186 30 T HA 0.406 4.756 4.350 -0.000 0.000 0.257 30 T C 0.145 174.842 174.700 -0.005 0.000 1.029 30 T CA -0.298 61.799 62.100 -0.005 0.000 0.916 30 T CB -0.013 68.851 68.868 -0.007 0.000 1.041 30 T HN 0.288 nan 8.240 nan 0.000 0.562 31 L N 2.333 123.555 121.223 -0.002 0.000 2.371 31 L HA 0.664 5.004 4.340 -0.000 0.000 0.272 31 L C 0.883 177.754 176.870 0.001 0.000 1.124 31 L CA 1.515 56.355 54.840 -0.000 0.000 0.816 31 L CB 0.121 42.181 42.059 0.002 0.000 1.129 31 L HN 0.659 nan 8.230 nan 0.000 0.448 32 G N 4.387 113.187 108.800 0.001 0.000 2.741 32 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.222 32 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.222 32 G C -2.171 172.727 174.900 -0.004 0.000 1.364 32 G CA -0.154 44.947 45.100 0.002 0.000 0.866 32 G HN 0.643 nan 8.290 nan 0.000 0.555 33 P HA 0.222 nan 4.420 nan 0.000 0.245 33 P C 0.914 178.208 177.300 -0.009 0.000 1.199 33 P CA 0.601 63.693 63.100 -0.013 0.000 0.807 33 P CB 0.336 32.023 31.700 -0.022 0.000 1.002 34 K N 0.837 121.236 120.400 -0.002 0.000 2.520 34 K HA 0.244 4.564 4.320 -0.000 0.000 0.205 34 K C 1.091 177.692 176.600 0.002 0.000 1.035 34 K CA -0.084 56.205 56.287 0.002 0.000 1.188 34 K CB -0.206 32.302 32.500 0.014 0.000 0.894 34 K HN 0.099 nan 8.250 nan 0.000 0.497 35 G N 1.265 110.065 108.800 -0.001 0.000 2.614 35 G HA2 0.090 4.050 3.960 -0.000 0.000 0.239 35 G HA3 0.090 4.050 3.960 -0.000 0.000 0.239 35 G C 0.077 174.976 174.900 -0.003 0.000 1.240 35 G CA -0.425 44.674 45.100 -0.002 0.000 0.842 35 G HN 0.094 nan 8.290 nan 0.000 0.584 36 R N 0.456 120.954 120.500 -0.003 0.000 2.674 36 R HA 0.311 4.651 4.340 -0.000 0.000 0.266 36 R C -0.268 176.030 176.300 -0.004 0.000 1.016 36 R CA -1.034 55.064 56.100 -0.003 0.000 1.062 36 R CB 0.692 30.991 30.300 -0.002 0.000 1.142 36 R HN 0.485 nan 8.270 nan 0.000 0.517 37 N N 0.315 119.012 118.700 -0.004 0.000 2.514 37 N HA 0.194 4.934 4.740 -0.000 0.000 0.277 37 N C -0.739 174.769 175.510 -0.004 0.000 1.126 37 N CA -0.183 52.864 53.050 -0.004 0.000 0.978 37 N CB 1.503 39.988 38.487 -0.004 0.000 1.106 37 N HN 0.127 nan 8.380 nan 0.000 0.461 38 V N 2.504 122.415 119.914 -0.005 0.000 2.448 38 V HA 0.297 4.417 4.120 -0.000 0.000 0.295 38 V C 0.032 176.124 176.094 -0.004 0.000 1.025 38 V CA -0.811 61.486 62.300 -0.004 0.000 0.859 38 V CB 1.888 33.708 31.823 -0.005 0.000 0.988 38 V HN 0.284 nan 8.190 nan 0.000 0.431 39 V N 6.782 126.694 119.914 -0.003 0.000 2.407 39 V HA 0.464 4.584 4.120 -0.000 0.000 0.278 39 V C -0.146 175.947 176.094 -0.001 0.000 1.037 39 V CA -0.431 61.868 62.300 -0.002 0.000 0.900 39 V CB 1.344 33.166 31.823 -0.001 0.000 0.983 39 V HN 0.613 nan 8.190 nan 0.000 0.459 40 L N 3.752 124.975 121.223 -0.000 0.000 2.313 40 L HA 0.536 4.876 4.340 -0.000 0.000 0.283 40 L C -0.294 176.579 176.870 0.004 0.000 1.013 40 L CA -0.563 54.278 54.840 0.001 0.000 0.816 40 L CB 1.758 43.816 42.059 -0.001 0.000 1.236 40 L HN 0.535 nan 8.230 nan 0.000 0.419 41 D N 2.977 123.380 120.400 0.004 0.000 2.345 41 D HA 0.299 4.939 4.640 -0.000 0.000 0.247 41 D C -0.666 175.642 176.300 0.014 0.000 1.108 41 D CA 0.137 54.141 54.000 0.006 0.000 0.894 41 D CB 0.980 41.781 40.800 0.000 0.000 1.203 41 D HN 0.338 nan 8.370 nan 0.000 0.430 42 K N 0.784 121.198 120.400 0.023 0.000 2.375 42 K HA 0.247 4.567 4.320 -0.000 0.000 0.249 42 K C 0.957 177.579 176.600 0.036 0.000 0.942 42 K CA -0.623 55.691 56.287 0.045 0.000 0.806 42 K CB 1.808 34.350 32.500 0.069 0.000 1.227 42 K HN 0.437 nan 8.250 nan 0.000 0.430 43 S N 1.332 117.055 115.700 0.039 0.000 2.368 43 S HA -0.061 4.409 4.470 -0.000 0.000 0.225 43 S C 0.597 175.118 174.600 -0.132 0.000 1.030 43 S CA 0.775 58.940 58.200 -0.058 0.000 0.999 43 S CB -0.278 62.870 63.200 -0.087 0.000 0.844 43 S HN 0.415 nan 8.310 nan 0.000 0.459 44 F N 3.376 123.323 119.950 -0.005 0.000 2.404 44 F HA 0.563 5.090 4.527 0.000 0.000 0.359 44 F C 1.611 177.408 175.800 -0.005 0.000 1.134 44 F CA 0.465 58.462 58.000 -0.005 0.000 1.160 44 F CB 0.444 39.441 39.000 -0.004 0.000 1.186 44 F HN 0.536 nan 8.300 nan 0.000 0.526 45 G N 2.321 111.186 108.800 0.109 0.000 2.550 45 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.277 45 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.277 45 G C 0.019 174.947 174.900 0.046 0.000 1.190 45 G CA -0.446 44.699 45.100 0.075 0.000 0.971 45 G HN 1.034 nan 8.290 nan 0.000 0.559 46 A N 1.698 124.543 122.820 0.043 0.000 2.445 46 A HA 0.652 4.972 4.320 -0.000 0.000 0.242 46 A C -1.320 176.279 177.584 0.026 0.000 1.075 46 A CA 0.237 52.290 52.037 0.027 0.000 0.777 46 A CB -0.168 18.846 19.000 0.022 0.000 1.013 46 A HN 0.708 nan 8.150 nan 0.000 0.493 47 P HA 0.335 nan 4.420 nan 0.000 0.274 47 P C -0.474 176.833 177.300 0.011 0.000 1.237 47 P CA -0.145 62.963 63.100 0.013 0.000 0.793 47 P CB 0.570 32.274 31.700 0.007 0.000 0.977 48 T N 2.100 116.659 114.554 0.009 0.000 2.744 48 T HA 0.461 4.811 4.350 -0.000 0.000 0.291 48 T C 0.336 175.037 174.700 0.001 0.000 0.957 48 T CA -0.235 61.868 62.100 0.005 0.000 1.002 48 T CB -0.195 68.675 68.868 0.004 0.000 0.919 48 T HN 0.173 nan 8.240 nan 0.000 0.468 49 I N 3.047 123.617 120.570 -0.000 0.000 2.312 49 I HA 0.497 4.667 4.170 -0.000 0.000 0.290 49 I C 0.595 176.709 176.117 -0.005 0.000 1.008 49 I CA -0.339 60.960 61.300 -0.002 0.000 1.226 49 I CB 1.344 39.343 38.000 -0.002 0.000 1.371 49 I HN 0.507 nan 8.210 nan 0.000 0.468 50 T N 4.117 118.668 114.554 -0.006 0.000 2.843 50 T HA 0.397 4.747 4.350 -0.000 0.000 0.302 50 T C 0.222 174.917 174.700 -0.009 0.000 1.232 50 T CA -0.587 61.508 62.100 -0.008 0.000 1.009 50 T CB 1.806 70.668 68.868 -0.010 0.000 1.254 50 T HN 0.652 nan 8.240 nan 0.000 0.504 51 K N 0.629 121.023 120.400 -0.011 0.000 2.373 51 K HA 0.172 4.492 4.320 -0.000 0.000 0.200 51 K C -0.299 176.293 176.600 -0.014 0.000 1.054 51 K CA -0.189 56.092 56.287 -0.011 0.000 1.065 51 K CB 0.367 32.861 32.500 -0.010 0.000 0.886 51 K HN 0.491 nan 8.250 nan 0.000 0.546 52 D N 0.855 121.245 120.400 -0.017 0.000 2.368 52 D HA -0.004 4.636 4.640 -0.000 0.000 0.268 52 D C 1.226 177.513 176.300 -0.021 0.000 1.298 52 D CA 0.144 54.131 54.000 -0.021 0.000 0.938 52 D CB 0.948 41.733 40.800 -0.025 0.000 1.101 52 D HN 0.238 nan 8.370 nan 0.000 0.509 53 G N 2.569 111.357 108.800 -0.021 0.000 2.479 53 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.220 53 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.220 53 G C 1.423 176.308 174.900 -0.025 0.000 1.115 53 G CA 0.830 45.918 45.100 -0.020 0.000 0.757 53 G HN 0.488 nan 8.290 nan 0.000 0.560 54 V N 0.689 120.585 119.914 -0.031 0.000 2.346 54 V HA -0.119 4.001 4.120 -0.000 0.000 0.244 54 V C 2.952 179.028 176.094 -0.030 0.000 1.037 54 V CA 2.003 64.282 62.300 -0.035 0.000 1.029 54 V CB -0.692 31.104 31.823 -0.044 0.000 0.663 54 V HN 0.317 nan 8.190 nan 0.000 0.454 55 S N 0.290 115.973 115.700 -0.028 0.000 2.382 55 S HA -0.140 4.330 4.470 -0.000 0.000 0.228 55 S C 2.011 176.599 174.600 -0.019 0.000 1.027 55 S CA 1.455 59.641 58.200 -0.024 0.000 0.991 55 S CB -0.181 63.006 63.200 -0.021 0.000 0.823 55 S HN 0.389 nan 8.310 nan 0.000 0.469 56 V N 1.810 121.714 119.914 -0.017 0.000 2.323 56 V HA -0.121 3.999 4.120 -0.000 0.000 0.244 56 V C 2.645 178.731 176.094 -0.014 0.000 1.041 56 V CA 1.541 63.833 62.300 -0.013 0.000 1.025 56 V CB -1.215 30.601 31.823 -0.012 0.000 0.656 56 V HN 0.520 nan 8.190 nan 0.000 0.451 57 A N 0.043 122.852 122.820 -0.017 0.000 1.883 57 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 57 A C 2.373 179.946 177.584 -0.018 0.000 1.186 57 A CA 1.864 53.891 52.037 -0.017 0.000 0.624 57 A CB -0.578 18.409 19.000 -0.021 0.000 0.822 57 A HN 0.456 nan 8.150 nan 0.000 0.444 58 R N -0.598 119.888 120.500 -0.022 0.000 2.139 58 R HA -0.138 4.202 4.340 -0.000 0.000 0.243 58 R C 1.756 178.045 176.300 -0.019 0.000 1.145 58 R CA 1.427 57.513 56.100 -0.023 0.000 0.976 58 R CB -0.234 30.049 30.300 -0.028 0.000 0.866 58 R HN 0.525 nan 8.270 nan 0.000 0.449 59 E N 0.222 120.413 120.200 -0.015 0.000 2.285 59 E HA -0.006 4.344 4.350 -0.000 0.000 0.194 59 E C 0.606 177.200 176.600 -0.009 0.000 0.997 59 E CA 0.277 56.670 56.400 -0.011 0.000 0.845 59 E CB 0.136 29.831 29.700 -0.008 0.000 0.782 59 E HN 0.164 nan 8.360 nan 0.000 0.491 60 I N 2.004 122.569 120.570 -0.009 0.000 2.533 60 I HA 0.066 4.236 4.170 -0.000 0.000 0.284 60 I C 0.417 176.529 176.117 -0.007 0.000 1.109 60 I CA 0.471 61.767 61.300 -0.007 0.000 1.412 60 I CB 0.047 38.044 38.000 -0.005 0.000 1.396 60 I HN -0.009 nan 8.210 nan 0.000 0.543 61 E N 6.999 127.195 120.200 -0.006 0.000 2.428 61 E HA 0.365 4.715 4.350 -0.000 0.000 0.307 61 E C -1.669 174.927 176.600 -0.006 0.000 0.902 61 E CA -0.504 55.892 56.400 -0.008 0.000 0.799 61 E CB 1.371 31.065 29.700 -0.010 0.000 1.351 61 E HN 0.459 nan 8.360 nan 0.000 0.392 62 L N 3.146 124.367 121.223 -0.004 0.000 2.439 62 L HA 0.325 4.665 4.340 -0.000 0.000 0.259 62 L C 1.705 178.574 176.870 -0.002 0.000 1.129 62 L CA -0.112 54.728 54.840 0.001 0.000 0.803 62 L CB 0.932 42.996 42.059 0.009 0.000 1.161 62 L HN 0.723 nan 8.230 nan 0.000 0.462 63 E N 0.501 120.703 120.200 0.003 0.000 2.021 63 E HA -0.158 4.192 4.350 -0.000 0.000 0.189 63 E C 0.125 176.727 176.600 0.004 0.000 0.980 63 E CA 0.462 56.863 56.400 0.001 0.000 0.803 63 E CB 0.201 29.904 29.700 0.005 0.000 0.766 63 E HN 0.707 nan 8.360 nan 0.000 0.449 64 D N 0.699 121.112 120.400 0.022 0.000 2.412 64 D HA -0.061 4.579 4.640 -0.000 0.000 0.257 64 D C 0.948 177.266 176.300 0.030 0.000 1.217 64 D CA 0.065 54.094 54.000 0.048 0.000 0.897 64 D CB 0.711 41.559 40.800 0.080 0.000 1.132 64 D HN -0.061 nan 8.370 nan 0.000 0.493 65 K N 3.271 123.655 120.400 -0.028 0.000 2.074 65 K HA -0.182 4.138 4.320 -0.000 0.000 0.209 65 K C 1.623 178.113 176.600 -0.183 0.000 1.048 65 K CA 1.266 57.461 56.287 -0.154 0.000 0.926 65 K CB -0.307 32.022 32.500 -0.285 0.000 0.713 65 K HN 0.554 nan 8.250 nan 0.000 0.444 66 F N 1.479 121.417 119.950 -0.021 0.000 2.113 66 F HA -0.097 4.430 4.527 -0.000 0.000 0.297 66 F C 2.406 178.196 175.800 -0.017 0.000 1.103 66 F CA 1.135 59.120 58.000 -0.024 0.000 1.248 66 F CB -0.392 38.591 39.000 -0.028 0.000 0.999 66 F HN 0.124 nan 8.300 nan 0.000 0.475 67 E N 0.001 120.304 120.200 0.171 0.000 2.085 67 E HA -0.276 4.074 4.350 -0.000 0.000 0.194 67 E C 1.894 178.523 176.600 0.048 0.000 0.994 67 E CA 1.379 57.833 56.400 0.089 0.000 0.801 67 E CB -0.393 29.346 29.700 0.066 0.000 0.743 67 E HN 0.308 nan 8.360 nan 0.000 0.453 68 N N 0.814 119.529 118.700 0.025 0.000 2.104 68 N HA -0.194 4.546 4.740 -0.000 0.000 0.190 68 N C 1.750 177.258 175.510 -0.003 0.000 1.024 68 N CA 1.535 54.585 53.050 -0.001 0.000 0.853 68 N CB -0.065 38.408 38.487 -0.024 0.000 1.008 68 N HN 0.081 nan 8.380 nan 0.000 0.424 69 M N -0.488 119.107 119.600 -0.008 0.000 2.065 69 M HA -0.082 4.398 4.480 -0.000 0.000 0.259 69 M C 2.244 178.555 176.300 0.018 0.000 1.069 69 M CA 1.926 57.223 55.300 -0.004 0.000 1.110 69 M CB -0.887 31.709 32.600 -0.006 0.000 1.328 69 M HN 0.352 nan 8.290 nan 0.000 0.405 70 G N -0.012 108.811 108.800 0.038 0.000 2.514 70 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 70 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 70 G C 1.610 176.523 174.900 0.022 0.000 1.198 70 G CA 1.389 46.510 45.100 0.035 0.000 0.780 70 G HN 0.572 nan 8.290 nan 0.000 0.565 71 A N -0.347 122.484 122.820 0.019 0.000 1.892 71 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 71 A C 2.362 179.950 177.584 0.005 0.000 1.188 71 A CA 2.153 54.197 52.037 0.011 0.000 0.631 71 A CB -0.438 18.567 19.000 0.008 0.000 0.822 71 A HN 0.359 nan 8.150 nan 0.000 0.447 72 Q N -1.154 118.648 119.800 0.002 0.000 2.369 72 Q HA -0.002 4.338 4.340 -0.000 0.000 0.206 72 Q C 2.032 178.033 176.000 0.001 0.000 0.963 72 Q CA 0.943 56.744 55.803 -0.003 0.000 0.894 72 Q CB -0.259 28.474 28.738 -0.009 0.000 0.965 72 Q HN 0.791 nan 8.270 nan 0.000 0.475 73 M N -0.251 119.354 119.600 0.008 0.000 2.123 73 M HA -0.130 4.350 4.480 -0.000 0.000 0.263 73 M C 2.165 178.474 176.300 0.016 0.000 1.069 73 M CA 1.293 56.602 55.300 0.014 0.000 1.133 73 M CB -0.110 32.502 32.600 0.020 0.000 1.356 73 M HN 0.119 nan 8.290 nan 0.000 0.415 74 V N -2.247 117.676 119.914 0.015 0.000 2.809 74 V HA -0.135 3.985 4.120 -0.000 0.000 0.256 74 V C 1.948 178.044 176.094 0.004 0.000 1.080 74 V CA 1.450 63.760 62.300 0.015 0.000 1.102 74 V CB -0.962 30.870 31.823 0.016 0.000 0.705 74 V HN 0.416 nan 8.190 nan 0.000 0.475 75 K N 0.083 120.482 120.400 -0.002 0.000 2.097 75 K HA -0.155 4.164 4.320 -0.000 0.000 0.205 75 K C 2.271 178.859 176.600 -0.021 0.000 1.050 75 K CA 1.448 57.728 56.287 -0.012 0.000 0.938 75 K CB -0.130 32.363 32.500 -0.012 0.000 0.718 75 K HN 0.467 nan 8.250 nan 0.000 0.442 76 E N 0.432 120.625 120.200 -0.012 0.000 2.333 76 E HA -0.133 4.217 4.350 -0.000 0.000 0.198 76 E C 1.736 178.318 176.600 -0.031 0.000 1.007 76 E CA 0.856 57.248 56.400 -0.014 0.000 0.845 76 E CB 0.247 29.950 29.700 0.005 0.000 0.766 76 E HN 0.167 nan 8.360 nan 0.000 0.507 77 V N 0.267 120.167 119.914 -0.023 0.000 2.374 77 V HA -0.042 4.078 4.120 -0.000 0.000 0.241 77 V C 2.475 178.500 176.094 -0.115 0.000 1.034 77 V CA 1.195 63.473 62.300 -0.038 0.000 1.037 77 V CB -0.976 30.869 31.823 0.036 0.000 0.682 77 V HN 0.169 nan 8.190 nan 0.000 0.463 78 A N 1.770 124.549 122.820 -0.068 0.000 1.903 78 A HA -0.300 4.020 4.320 -0.000 0.000 0.219 78 A C 2.549 180.067 177.584 -0.110 0.000 1.191 78 A CA 3.092 55.085 52.037 -0.074 0.000 0.638 78 A CB -1.068 17.905 19.000 -0.044 0.000 0.823 78 A HN 0.730 nan 8.150 nan 0.000 0.451 79 S N -0.733 114.906 115.700 -0.101 0.000 2.423 79 S HA -0.103 4.367 4.470 -0.000 0.000 0.231 79 S C 1.800 176.306 174.600 -0.158 0.000 1.014 79 S CA 1.422 59.560 58.200 -0.103 0.000 0.965 79 S CB -0.249 62.910 63.200 -0.069 0.000 0.785 79 S HN 0.618 nan 8.310 nan 0.000 0.495 80 K N 1.071 121.323 120.400 -0.246 0.000 2.186 80 K HA 0.274 4.594 4.320 -0.000 0.000 0.202 80 K C 2.479 178.695 176.600 -0.640 0.000 1.052 80 K CA 0.743 56.782 56.287 -0.414 0.000 0.965 80 K CB -0.351 31.864 32.500 -0.475 0.000 0.746 80 K HN 0.464 nan 8.250 nan 0.000 0.457 81 A N 1.792 124.269 122.820 -0.573 0.000 1.902 81 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 81 A C 1.867 179.338 177.584 -0.188 0.000 1.181 81 A CA 1.885 53.697 52.037 -0.374 0.000 0.623 81 A CB -0.641 18.248 19.000 -0.185 0.000 0.818 81 A HN 0.294 nan 8.150 nan 0.000 0.443 82 N N 0.195 118.799 118.700 -0.160 0.000 2.223 82 N HA -0.145 4.595 4.740 -0.000 0.000 0.185 82 N C 1.024 176.480 175.510 -0.091 0.000 1.016 82 N CA 1.727 54.712 53.050 -0.108 0.000 0.863 82 N CB -0.204 38.224 38.487 -0.097 0.000 0.983 82 N HN 0.418 nan 8.380 nan 0.000 0.429 83 D N -0.636 119.697 120.400 -0.112 0.000 2.183 83 D HA 0.015 4.655 4.640 -0.000 0.000 0.203 83 D C 1.621 177.904 176.300 -0.029 0.000 0.969 83 D CA 0.945 54.904 54.000 -0.068 0.000 0.842 83 D CB -0.227 40.525 40.800 -0.081 0.000 0.957 83 D HN 0.415 nan 8.370 nan 0.000 0.484 84 A N 0.409 123.204 122.820 -0.042 0.000 1.903 84 A HA 0.298 4.618 4.320 -0.000 0.000 0.213 84 A C 2.032 179.649 177.584 0.056 0.000 1.185 84 A CA 1.741 53.800 52.037 0.037 0.000 0.628 84 A CB 0.025 19.091 19.000 0.110 0.000 0.830 84 A HN 0.232 nan 8.150 nan 0.000 0.446 85 A N -3.565 119.278 122.820 0.040 0.000 1.975 85 A HA 0.476 4.796 4.320 -0.000 0.000 0.197 85 A C 1.810 179.438 177.584 0.074 0.000 1.537 85 A CA 1.109 53.188 52.037 0.070 0.000 0.972 85 A CB -0.170 18.862 19.000 0.054 0.000 1.019 85 A HN 1.844 nan 8.150 nan 0.000 0.488 86 G N -0.428 108.362 108.800 -0.017 0.000 2.213 86 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.226 86 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.226 86 G C -0.059 174.789 174.900 -0.087 0.000 0.992 86 G CA 0.689 45.721 45.100 -0.114 0.000 0.632 86 G HN 0.946 nan 8.290 nan 0.000 0.511 87 D N -1.244 119.135 120.400 -0.035 0.000 2.423 87 D HA 0.587 5.227 4.640 -0.000 0.000 0.235 87 D C 1.065 177.356 176.300 -0.015 0.000 1.011 87 D CA 0.708 54.695 54.000 -0.023 0.000 0.963 87 D CB 1.024 41.824 40.800 -0.000 0.000 1.349 87 D HN 1.404 nan 8.370 nan 0.000 0.508 88 G N 0.632 109.425 108.800 -0.012 0.000 2.160 88 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.244 88 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.244 88 G C 0.917 175.811 174.900 -0.011 0.000 1.022 88 G CA 1.078 46.176 45.100 -0.003 0.000 0.741 88 G HN 0.830 nan 8.290 nan 0.000 0.508 89 T N -3.436 111.103 114.554 -0.025 0.000 2.857 89 T HA -0.037 4.313 4.350 -0.000 0.000 0.266 89 T C 2.267 176.955 174.700 -0.020 0.000 1.048 89 T CA 2.322 64.401 62.100 -0.034 0.000 1.139 89 T CB -0.401 68.439 68.868 -0.045 0.000 0.874 89 T HN 0.307 nan 8.240 nan 0.000 0.455 90 T N 2.341 116.886 114.554 -0.015 0.000 2.857 90 T HA -0.060 4.290 4.350 -0.000 0.000 0.266 90 T C 2.241 176.941 174.700 -0.000 0.000 1.048 90 T CA 1.727 63.822 62.100 -0.008 0.000 1.139 90 T CB -0.860 68.003 68.868 -0.008 0.000 0.874 90 T HN 0.567 nan 8.240 nan 0.000 0.455 91 T N 2.093 116.649 114.554 0.003 0.000 2.833 91 T HA 0.038 4.388 4.350 -0.000 0.000 0.269 91 T C 2.426 177.136 174.700 0.017 0.000 1.054 91 T CA 0.955 63.061 62.100 0.011 0.000 1.135 91 T CB -0.493 68.383 68.868 0.014 0.000 0.869 91 T HN 0.427 nan 8.240 nan 0.000 0.466 92 A N 1.849 124.679 122.820 0.017 0.000 1.873 92 A HA -0.102 4.218 4.320 -0.000 0.000 0.215 92 A C 2.594 180.192 177.584 0.024 0.000 1.186 92 A CA 1.946 54.000 52.037 0.029 0.000 0.616 92 A CB -1.315 17.698 19.000 0.023 0.000 0.823 92 A HN 0.462 nan 8.150 nan 0.000 0.442 93 T N 0.117 114.677 114.554 0.011 0.000 2.821 93 T HA -0.104 4.246 4.350 -0.000 0.000 0.267 93 T C 1.948 176.655 174.700 0.012 0.000 1.046 93 T CA 1.761 63.867 62.100 0.010 0.000 1.139 93 T CB -0.645 68.223 68.868 0.001 0.000 0.871 93 T HN 0.602 nan 8.240 nan 0.000 0.454 94 V N -0.124 119.796 119.914 0.011 0.000 2.548 94 V HA 0.015 4.135 4.120 -0.000 0.000 0.249 94 V C 2.212 178.315 176.094 0.014 0.000 1.055 94 V CA 1.204 63.511 62.300 0.010 0.000 1.065 94 V CB -1.071 30.757 31.823 0.008 0.000 0.681 94 V HN 0.382 nan 8.190 nan 0.000 0.462 95 L N 0.706 121.940 121.223 0.018 0.000 2.023 95 L HA 0.029 4.369 4.340 -0.000 0.000 0.205 95 L C 3.088 179.971 176.870 0.023 0.000 1.073 95 L CA 1.688 56.541 54.840 0.022 0.000 0.745 95 L CB -0.931 41.145 42.059 0.028 0.000 0.900 95 L HN 0.381 nan 8.230 nan 0.000 0.435 96 A N -0.569 122.268 122.820 0.027 0.000 1.903 96 A HA -0.341 3.979 4.320 -0.000 0.000 0.219 96 A C 2.253 179.849 177.584 0.021 0.000 1.191 96 A CA 2.251 54.304 52.037 0.028 0.000 0.638 96 A CB -0.770 18.249 19.000 0.031 0.000 0.823 96 A HN 0.536 nan 8.150 nan 0.000 0.451 97 Q N -0.774 119.037 119.800 0.017 0.000 2.061 97 Q HA -0.165 4.175 4.340 -0.000 0.000 0.204 97 Q C 2.235 178.242 176.000 0.013 0.000 0.984 97 Q CA 1.744 57.555 55.803 0.014 0.000 0.846 97 Q CB -0.340 28.404 28.738 0.011 0.000 0.902 97 Q HN 0.627 nan 8.270 nan 0.000 0.421 98 A N 0.394 123.221 122.820 0.013 0.000 2.015 98 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 98 A C 1.894 179.485 177.584 0.012 0.000 1.163 98 A CA 1.145 53.189 52.037 0.011 0.000 0.646 98 A CB -0.469 18.538 19.000 0.011 0.000 0.806 98 A HN 0.468 nan 8.150 nan 0.000 0.448 99 I N -0.831 119.748 120.570 0.014 0.000 2.333 99 I HA -0.142 4.028 4.170 -0.000 0.000 0.246 99 I C 2.206 178.331 176.117 0.013 0.000 1.106 99 I CA 0.883 62.191 61.300 0.014 0.000 1.411 99 I CB -0.289 37.720 38.000 0.016 0.000 1.082 99 I HN 0.233 nan 8.210 nan 0.000 0.420 100 I N 0.653 121.232 120.570 0.015 0.000 2.202 100 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 100 I C 2.578 178.703 176.117 0.012 0.000 1.091 100 I CA 1.616 62.925 61.300 0.015 0.000 1.368 100 I CB -0.574 37.436 38.000 0.017 0.000 1.058 100 I HN 0.227 nan 8.210 nan 0.000 0.410 101 T N 0.049 114.610 114.554 0.011 0.000 2.684 101 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 101 T C 1.772 176.477 174.700 0.008 0.000 1.036 101 T CA 1.214 63.319 62.100 0.009 0.000 1.148 101 T CB -0.203 68.669 68.868 0.008 0.000 0.863 101 T HN 0.269 nan 8.240 nan 0.000 0.436 102 E N 0.705 120.909 120.200 0.008 0.000 2.216 102 E HA 0.055 4.405 4.350 -0.000 0.000 0.192 102 E C 2.518 179.122 176.600 0.007 0.000 0.988 102 E CA 0.759 57.163 56.400 0.007 0.000 0.834 102 E CB -0.684 29.020 29.700 0.007 0.000 0.772 102 E HN 0.575 nan 8.360 nan 0.000 0.479 103 G N 1.478 110.283 108.800 0.009 0.000 2.414 103 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.215 103 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.215 103 G C 1.714 176.619 174.900 0.009 0.000 1.188 103 G CA 0.396 45.501 45.100 0.009 0.000 0.783 103 G HN 0.173 nan 8.290 nan 0.000 0.537 104 L N 0.055 121.283 121.223 0.009 0.000 2.127 104 L HA -0.084 4.256 4.340 -0.000 0.000 0.211 104 L C 2.917 179.791 176.870 0.007 0.000 1.089 104 L CA 1.122 55.968 54.840 0.009 0.000 0.757 104 L CB -0.334 41.731 42.059 0.009 0.000 0.899 104 L HN 0.201 nan 8.230 nan 0.000 0.434 105 K N 0.064 120.468 120.400 0.006 0.000 2.063 105 K HA -0.197 4.123 4.320 -0.000 0.000 0.208 105 K C 2.208 178.811 176.600 0.005 0.000 1.048 105 K CA 1.523 57.812 56.287 0.005 0.000 0.928 105 K CB -0.176 32.327 32.500 0.004 0.000 0.713 105 K HN 0.326 nan 8.250 nan 0.000 0.442 106 A N 0.593 123.416 122.820 0.005 0.000 1.929 106 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 106 A C 2.254 179.841 177.584 0.005 0.000 1.176 106 A CA 1.173 53.213 52.037 0.005 0.000 0.628 106 A CB -0.395 18.608 19.000 0.005 0.000 0.816 106 A HN 0.084 nan 8.150 nan 0.000 0.444 107 V N -0.070 119.848 119.914 0.007 0.000 2.343 107 V HA -0.213 3.907 4.120 -0.000 0.000 0.247 107 V C 2.954 179.052 176.094 0.007 0.000 1.051 107 V CA 1.846 64.151 62.300 0.008 0.000 1.036 107 V CB -1.338 30.491 31.823 0.010 0.000 0.654 107 V HN 0.563 nan 8.190 nan 0.000 0.451 108 A N 0.039 122.863 122.820 0.005 0.000 2.015 108 A HA 0.066 4.386 4.320 -0.000 0.000 0.219 108 A C 2.340 179.926 177.584 0.003 0.000 1.163 108 A CA 1.598 53.638 52.037 0.004 0.000 0.646 108 A CB -0.563 18.439 19.000 0.003 0.000 0.806 108 A HN 0.565 nan 8.150 nan 0.000 0.448 109 A N -1.412 121.410 122.820 0.003 0.000 2.066 109 A HA 0.375 4.695 4.320 -0.000 0.000 0.218 109 A C 1.624 179.210 177.584 0.002 0.000 1.157 109 A CA 1.431 53.469 52.037 0.002 0.000 0.670 109 A CB -0.680 18.321 19.000 0.002 0.000 0.804 109 A HN 1.886 nan 8.150 nan 0.000 0.453 110 G N -1.583 107.218 108.800 0.003 0.000 2.468 110 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.143 110 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.143 110 G C -0.274 174.628 174.900 0.003 0.000 1.065 110 G CA -0.013 45.089 45.100 0.003 0.000 0.776 110 G HN 0.291 nan 8.290 nan 0.000 0.486 111 M N -0.103 119.500 119.600 0.004 0.000 2.598 111 M HA 0.355 4.835 4.480 -0.000 0.000 0.317 111 M C 0.399 176.702 176.300 0.006 0.000 1.179 111 M CA -0.771 54.531 55.300 0.004 0.000 0.936 111 M CB 1.809 34.412 32.600 0.004 0.000 1.713 111 M HN 0.219 nan 8.290 nan 0.000 0.460 112 N N 1.887 120.591 118.700 0.005 0.000 2.431 112 N HA 0.108 4.848 4.740 -0.000 0.000 0.265 112 N C -2.002 173.513 175.510 0.008 0.000 1.184 112 N CA -1.337 51.717 53.050 0.007 0.000 0.943 112 N CB 0.983 39.473 38.487 0.005 0.000 1.080 112 N HN 0.273 nan 8.380 nan 0.000 0.477 113 P HA -0.180 nan 4.420 nan 0.000 0.215 113 P C 1.393 178.699 177.300 0.010 0.000 1.153 113 P CA 1.063 64.170 63.100 0.011 0.000 0.853 113 P CB 0.200 31.909 31.700 0.015 0.000 0.788 114 M N -0.665 118.941 119.600 0.010 0.000 2.213 114 M HA -0.132 4.348 4.480 -0.000 0.000 0.263 114 M C 1.133 177.436 176.300 0.006 0.000 1.062 114 M CA 1.678 56.983 55.300 0.008 0.000 1.105 114 M CB -1.371 31.234 32.600 0.008 0.000 1.385 114 M HN -0.050 nan 8.290 nan 0.000 0.417 115 D N -0.060 120.344 120.400 0.005 0.000 2.194 115 D HA -0.001 4.639 4.640 -0.000 0.000 0.204 115 D C 2.178 178.481 176.300 0.004 0.000 0.964 115 D CA 0.751 54.754 54.000 0.004 0.000 0.846 115 D CB -0.028 40.775 40.800 0.004 0.000 0.962 115 D HN 0.319 nan 8.370 nan 0.000 0.490 116 L N 0.607 121.833 121.223 0.005 0.000 2.109 116 L HA -0.097 4.243 4.340 -0.000 0.000 0.207 116 L C 2.459 179.332 176.870 0.005 0.000 1.086 116 L CA 0.911 55.755 54.840 0.006 0.000 0.760 116 L CB -0.181 41.882 42.059 0.007 0.000 0.910 116 L HN -0.047 nan 8.230 nan 0.000 0.437 117 K N 0.550 120.953 120.400 0.006 0.000 2.026 117 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 117 K C 2.275 178.876 176.600 0.002 0.000 1.048 117 K CA 1.339 57.629 56.287 0.004 0.000 0.929 117 K CB 0.024 32.527 32.500 0.005 0.000 0.713 117 K HN 0.183 nan 8.250 nan 0.000 0.439 118 R N -0.372 120.129 120.500 0.001 0.000 2.120 118 R HA -0.087 4.253 4.340 -0.000 0.000 0.234 118 R C 2.422 178.721 176.300 -0.001 0.000 1.123 118 R CA 1.216 57.316 56.100 -0.001 0.000 0.975 118 R CB -0.406 29.894 30.300 -0.000 0.000 0.866 118 R HN 0.381 nan 8.270 nan 0.000 0.446 119 G N 1.098 109.898 108.800 0.001 0.000 2.402 119 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 119 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 119 G C 1.425 176.326 174.900 0.001 0.000 1.162 119 G CA 0.528 45.629 45.100 0.001 0.000 0.777 119 G HN 0.146 nan 8.290 nan 0.000 0.539 120 I N 0.876 121.447 120.570 0.002 0.000 2.142 120 I HA -0.121 4.049 4.170 -0.000 0.000 0.240 120 I C 2.299 178.414 176.117 -0.002 0.000 1.078 120 I CA 1.235 62.536 61.300 0.001 0.000 1.343 120 I CB -0.160 37.842 38.000 0.003 0.000 1.046 120 I HN 0.027 nan 8.210 nan 0.000 0.405 121 D N 0.709 121.106 120.400 -0.005 0.000 2.178 121 D HA -0.200 4.440 4.640 -0.000 0.000 0.201 121 D C 2.083 178.377 176.300 -0.010 0.000 0.980 121 D CA 1.137 55.130 54.000 -0.011 0.000 0.842 121 D CB -0.149 40.643 40.800 -0.013 0.000 0.948 121 D HN 0.285 nan 8.370 nan 0.000 0.472 122 K N 0.536 120.932 120.400 -0.006 0.000 2.103 122 K HA -0.027 4.293 4.320 -0.000 0.000 0.204 122 K C 1.988 178.586 176.600 -0.003 0.000 1.052 122 K CA 0.944 57.228 56.287 -0.005 0.000 0.945 122 K CB 0.066 32.564 32.500 -0.003 0.000 0.722 122 K HN -0.020 nan 8.250 nan 0.000 0.443 123 A N 0.589 123.408 122.820 -0.002 0.000 1.972 123 A HA -0.090 4.229 4.320 -0.000 0.000 0.219 123 A C 2.156 179.739 177.584 -0.000 0.000 1.169 123 A CA 1.337 53.374 52.037 0.000 0.000 0.635 123 A CB -0.414 18.588 19.000 0.003 0.000 0.810 123 A HN 0.163 nan 8.150 nan 0.000 0.446 124 V N -0.403 119.508 119.914 -0.004 0.000 2.323 124 V HA -0.180 3.940 4.120 -0.000 0.000 0.244 124 V C 2.717 178.805 176.094 -0.009 0.000 1.041 124 V CA 2.363 64.659 62.300 -0.006 0.000 1.025 124 V CB -1.132 30.684 31.823 -0.012 0.000 0.656 124 V HN 0.599 nan 8.190 nan 0.000 0.451 125 T N 0.582 115.129 114.554 -0.012 0.000 2.803 125 T HA -0.157 4.193 4.350 -0.000 0.000 0.269 125 T C 1.961 176.657 174.700 -0.007 0.000 1.052 125 T CA 1.538 63.630 62.100 -0.013 0.000 1.136 125 T CB -0.358 68.502 68.868 -0.014 0.000 0.864 125 T HN 0.549 nan 8.240 nan 0.000 0.467 126 A N 1.097 123.915 122.820 -0.004 0.000 1.970 126 A HA 0.391 4.711 4.320 -0.000 0.000 0.216 126 A C 2.592 180.177 177.584 0.002 0.000 1.170 126 A CA 1.350 53.386 52.037 -0.000 0.000 0.645 126 A CB -0.817 18.183 19.000 0.001 0.000 0.816 126 A HN 0.491 nan 8.150 nan 0.000 0.447 127 A N -0.503 122.319 122.820 0.002 0.000 1.929 127 A HA 0.074 4.394 4.320 -0.000 0.000 0.216 127 A C 2.143 179.730 177.584 0.006 0.000 1.176 127 A CA 1.546 53.587 52.037 0.006 0.000 0.628 127 A CB -0.749 18.256 19.000 0.007 0.000 0.816 127 A HN 0.329 nan 8.150 nan 0.000 0.444 128 V N -0.037 119.878 119.914 0.001 0.000 2.427 128 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 128 V C 2.563 178.659 176.094 0.003 0.000 1.051 128 V CA 2.313 64.613 62.300 0.001 0.000 1.048 128 V CB -0.607 31.212 31.823 -0.007 0.000 0.666 128 V HN 0.598 nan 8.190 nan 0.000 0.456 129 E N 0.310 120.511 120.200 0.001 0.000 2.106 129 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 129 E C 2.121 178.724 176.600 0.006 0.000 0.984 129 E CA 1.198 57.599 56.400 0.003 0.000 0.806 129 E CB -0.157 29.544 29.700 0.001 0.000 0.750 129 E HN 0.603 nan 8.360 nan 0.000 0.458 130 E N -0.622 119.582 120.200 0.007 0.000 2.152 130 E HA -0.082 4.268 4.350 -0.000 0.000 0.192 130 E C 1.759 178.366 176.600 0.012 0.000 0.983 130 E CA 0.437 56.843 56.400 0.010 0.000 0.818 130 E CB -0.205 29.501 29.700 0.010 0.000 0.758 130 E HN 0.211 nan 8.360 nan 0.000 0.467 131 L N 0.750 121.980 121.223 0.012 0.000 2.093 131 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 131 L C 1.852 178.730 176.870 0.014 0.000 1.085 131 L CA 1.675 56.524 54.840 0.014 0.000 0.755 131 L CB -0.173 41.895 42.059 0.015 0.000 0.904 131 L HN 0.002 nan 8.230 nan 0.000 0.435 132 K N -1.031 119.376 120.400 0.011 0.000 2.147 132 K HA -0.102 4.218 4.320 -0.000 0.000 0.205 132 K C 1.989 178.595 176.600 0.011 0.000 1.049 132 K CA 1.149 57.442 56.287 0.010 0.000 0.936 132 K CB -0.244 32.261 32.500 0.008 0.000 0.722 132 K HN 0.407 nan 8.250 nan 0.000 0.446 133 A N 0.945 123.772 122.820 0.011 0.000 2.016 133 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 133 A C 1.919 179.511 177.584 0.013 0.000 1.162 133 A CA 0.778 52.822 52.037 0.011 0.000 0.662 133 A CB -0.238 18.768 19.000 0.010 0.000 0.812 133 A HN 0.208 nan 8.150 nan 0.000 0.450 134 L N -0.489 120.743 121.223 0.016 0.000 2.492 134 L HA 0.070 4.410 4.340 -0.000 0.000 0.223 134 L C 1.104 177.985 176.870 0.018 0.000 1.132 134 L CA 0.081 54.932 54.840 0.019 0.000 0.850 134 L CB 0.017 42.089 42.059 0.022 0.000 0.966 134 L HN 0.352 nan 8.230 nan 0.000 0.454 135 S N -0.310 115.400 115.700 0.016 0.000 2.549 135 S HA 0.174 4.644 4.470 -0.000 0.000 0.279 135 S C -0.198 174.411 174.600 0.014 0.000 1.321 135 S CA -0.469 57.740 58.200 0.015 0.000 1.054 135 S CB 0.876 64.085 63.200 0.014 0.000 0.899 135 S HN 0.004 nan 8.310 nan 0.000 0.497 136 V N 8.574 128.496 119.914 0.014 0.000 2.311 136 V HA 0.356 4.476 4.120 -0.000 0.000 0.275 136 V C -2.098 174.002 176.094 0.011 0.000 1.022 136 V CA -1.778 60.530 62.300 0.013 0.000 0.830 136 V CB 0.875 32.706 31.823 0.014 0.000 1.012 136 V HN 0.747 nan 8.190 nan 0.000 0.452 137 P HA 0.211 nan 4.420 nan 0.000 0.272 137 P C -0.621 176.683 177.300 0.006 0.000 1.223 137 P CA -0.378 62.726 63.100 0.008 0.000 0.784 137 P CB 0.503 32.207 31.700 0.007 0.000 0.923 138 C N 2.301 121.604 119.300 0.005 0.000 2.258 138 C HA 0.316 4.776 4.460 -0.000 0.000 0.321 138 C C 1.598 176.590 174.990 0.002 0.000 1.168 138 C CA 0.273 59.294 59.018 0.004 0.000 1.531 138 C CB -0.658 27.084 27.740 0.003 0.000 2.095 138 C HN 0.589 nan 8.230 nan 0.000 0.449 139 S N 1.358 117.059 115.700 0.002 0.000 2.559 139 S HA 0.030 4.500 4.470 -0.000 0.000 0.212 139 S C 0.617 175.217 174.600 0.000 0.000 0.994 139 S CA 0.245 58.446 58.200 0.001 0.000 0.903 139 S CB -0.121 63.081 63.200 0.002 0.000 0.861 139 S HN 0.921 nan 8.310 nan 0.000 0.601 140 D N 1.935 122.335 120.400 0.001 0.000 2.362 140 D HA 0.075 4.715 4.640 -0.000 0.000 0.242 140 D C 0.715 177.015 176.300 -0.001 0.000 1.132 140 D CA 0.144 54.144 54.000 -0.000 0.000 0.907 140 D CB 0.887 41.688 40.800 0.001 0.000 1.195 140 D HN 0.270 nan 8.370 nan 0.000 0.429 141 S N 0.217 115.916 115.700 -0.001 0.000 2.603 141 S HA -0.124 4.346 4.470 -0.000 0.000 0.229 141 S C 1.377 175.976 174.600 -0.001 0.000 0.972 141 S CA 0.334 58.533 58.200 -0.002 0.000 0.935 141 S CB -0.193 63.005 63.200 -0.003 0.000 0.769 141 S HN 0.586 nan 8.310 nan 0.000 0.536 142 K N 1.037 121.437 120.400 -0.001 0.000 2.166 142 K HA 0.296 4.616 4.320 -0.000 0.000 0.201 142 K C 2.133 178.733 176.600 0.000 0.000 1.052 142 K CA 0.755 57.042 56.287 -0.000 0.000 0.969 142 K CB -0.325 32.175 32.500 0.000 0.000 0.761 142 K HN 0.409 nan 8.250 nan 0.000 0.459 143 A N 0.687 123.507 122.820 0.001 0.000 2.072 143 A HA 0.048 4.368 4.320 -0.000 0.000 0.216 143 A C 1.836 179.421 177.584 0.001 0.000 1.156 143 A CA 0.567 52.605 52.037 0.002 0.000 0.701 143 A CB -0.308 18.694 19.000 0.003 0.000 0.816 143 A HN 0.252 nan 8.150 nan 0.000 0.458 144 I N -0.301 120.269 120.570 0.000 0.000 2.315 144 I HA -0.220 3.950 4.170 -0.000 0.000 0.248 144 I C 2.839 178.956 176.117 -0.001 0.000 1.117 144 I CA 0.940 62.240 61.300 -0.001 0.000 1.404 144 I CB -0.139 37.859 38.000 -0.003 0.000 1.071 144 I HN 0.339 nan 8.210 nan 0.000 0.419 145 A N 0.026 122.845 122.820 -0.001 0.000 1.969 145 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 145 A C 2.240 179.824 177.584 -0.000 0.000 1.169 145 A CA 1.287 53.323 52.037 -0.001 0.000 0.635 145 A CB -0.453 18.546 19.000 -0.001 0.000 0.810 145 A HN 0.445 nan 8.150 nan 0.000 0.445 146 Q N -0.503 119.298 119.800 0.000 0.000 2.119 146 Q HA -0.104 4.236 4.340 -0.000 0.000 0.201 146 Q C 2.082 178.083 176.000 0.001 0.000 0.972 146 Q CA 1.600 57.404 55.803 0.001 0.000 0.847 146 Q CB -0.250 28.489 28.738 0.001 0.000 0.903 146 Q HN 0.536 nan 8.270 nan 0.000 0.433 147 V N -0.062 119.853 119.914 0.002 0.000 2.379 147 V HA -0.129 3.991 4.120 -0.000 0.000 0.245 147 V C 2.180 178.277 176.094 0.004 0.000 1.044 147 V CA 1.855 64.157 62.300 0.004 0.000 1.036 147 V CB -0.946 30.881 31.823 0.005 0.000 0.664 147 V HN 0.478 nan 8.190 nan 0.000 0.453 148 G N -0.443 108.359 108.800 0.003 0.000 2.471 148 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.219 148 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.219 148 G C 1.621 176.522 174.900 0.003 0.000 1.125 148 G CA 1.403 46.505 45.100 0.004 0.000 0.775 148 G HN 0.487 nan 8.290 nan 0.000 0.548 149 T N 1.260 115.814 114.554 0.001 0.000 2.809 149 T HA 0.025 4.375 4.350 -0.000 0.000 0.260 149 T C 2.360 177.059 174.700 -0.002 0.000 1.039 149 T CA 0.772 62.872 62.100 -0.001 0.000 1.141 149 T CB -0.098 68.769 68.868 -0.002 0.000 0.869 149 T HN 0.270 nan 8.240 nan 0.000 0.437 150 I N 1.293 121.862 120.570 -0.002 0.000 2.617 150 I HA -0.045 4.125 4.170 -0.000 0.000 0.256 150 I C 2.357 178.472 176.117 -0.003 0.000 1.167 150 I CA 0.627 61.925 61.300 -0.004 0.000 1.469 150 I CB -0.291 37.706 38.000 -0.005 0.000 1.098 150 I HN 0.124 nan 8.210 nan 0.000 0.436 151 S N 0.873 116.574 115.700 0.001 0.000 2.453 151 S HA 0.080 4.550 4.470 -0.000 0.000 0.231 151 S C 1.664 176.265 174.600 0.002 0.000 1.005 151 S CA 0.939 59.141 58.200 0.003 0.000 0.949 151 S CB -0.047 63.159 63.200 0.010 0.000 0.774 151 S HN 0.499 nan 8.310 nan 0.000 0.510 152 A N 1.480 124.301 122.820 0.001 0.000 2.708 152 A HA 0.467 4.787 4.320 -0.000 0.000 0.293 152 A C 0.432 178.014 177.584 -0.003 0.000 1.303 152 A CA -0.522 51.515 52.037 0.000 0.000 0.949 152 A CB -0.572 18.429 19.000 0.002 0.000 1.121 152 A HN 0.311 nan 8.150 nan 0.000 0.542 153 N N 0.221 118.918 118.700 -0.005 0.000 2.681 153 N HA -0.205 4.535 4.740 -0.000 0.000 0.259 153 N C 0.202 175.707 175.510 -0.008 0.000 1.066 153 N CA 1.037 54.082 53.050 -0.008 0.000 0.717 153 N CB -1.866 36.616 38.487 -0.008 0.000 0.885 153 N HN 0.555 nan 8.380 nan 0.000 0.547 154 S N -1.127 114.568 115.700 -0.007 0.000 3.587 154 S HA -0.238 4.232 4.470 -0.000 0.000 0.337 154 S C -0.336 174.261 174.600 -0.006 0.000 1.119 154 S CA 0.967 59.163 58.200 -0.007 0.000 0.976 154 S CB -0.817 62.378 63.200 -0.009 0.000 0.922 154 S HN 0.729 nan 8.310 nan 0.000 0.503 155 D N 0.871 121.269 120.400 -0.004 0.000 2.359 155 D HA 0.265 4.905 4.640 -0.000 0.000 0.230 155 D C 0.982 177.280 176.300 -0.003 0.000 1.118 155 D CA -0.341 53.657 54.000 -0.003 0.000 0.844 155 D CB 0.770 41.568 40.800 -0.003 0.000 1.059 155 D HN 0.417 nan 8.370 nan 0.000 0.493 156 E N 1.172 121.370 120.200 -0.003 0.000 2.285 156 E HA -0.060 4.290 4.350 -0.000 0.000 0.194 156 E C 1.322 177.921 176.600 -0.002 0.000 0.997 156 E CA 0.677 57.075 56.400 -0.002 0.000 0.845 156 E CB 0.431 30.130 29.700 -0.003 0.000 0.782 156 E HN 0.475 nan 8.360 nan 0.000 0.491 157 T N 0.580 115.132 114.554 -0.002 0.000 2.867 157 T HA -0.092 4.258 4.350 -0.000 0.000 0.268 157 T C 2.116 176.814 174.700 -0.002 0.000 1.057 157 T CA 0.732 62.831 62.100 -0.002 0.000 1.136 157 T CB -0.065 68.801 68.868 -0.002 0.000 0.874 157 T HN -0.016 nan 8.240 nan 0.000 0.466 158 V N 1.657 121.571 119.914 -0.001 0.000 2.307 158 V HA -0.032 4.088 4.120 -0.000 0.000 0.245 158 V C 2.946 179.040 176.094 -0.000 0.000 1.045 158 V CA 1.945 64.245 62.300 -0.000 0.000 1.024 158 V CB -1.395 30.429 31.823 0.001 0.000 0.651 158 V HN 0.567 nan 8.190 nan 0.000 0.449 159 G N -0.634 108.165 108.800 -0.001 0.000 2.448 159 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.219 159 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.219 159 G C 1.641 176.539 174.900 -0.002 0.000 1.127 159 G CA 0.903 46.002 45.100 -0.001 0.000 0.766 159 G HN 0.481 nan 8.290 nan 0.000 0.552 160 K N -0.162 120.237 120.400 -0.002 0.000 2.097 160 K HA 0.120 4.440 4.320 -0.000 0.000 0.205 160 K C 2.415 179.013 176.600 -0.003 0.000 1.050 160 K CA 0.522 56.807 56.287 -0.003 0.000 0.938 160 K CB -0.185 32.314 32.500 -0.003 0.000 0.718 160 K HN 0.323 nan 8.250 nan 0.000 0.442 161 L N 0.740 121.961 121.223 -0.003 0.000 2.056 161 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 161 L C 2.265 179.132 176.870 -0.006 0.000 1.078 161 L CA 0.957 55.795 54.840 -0.004 0.000 0.749 161 L CB -0.264 41.792 42.059 -0.004 0.000 0.901 161 L HN 0.183 nan 8.230 nan 0.000 0.433 162 I N -0.210 120.357 120.570 -0.005 0.000 2.179 162 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 162 I C 2.794 178.906 176.117 -0.008 0.000 1.088 162 I CA 1.205 62.500 61.300 -0.008 0.000 1.357 162 I CB -0.560 37.437 38.000 -0.006 0.000 1.051 162 I HN 0.177 nan 8.210 nan 0.000 0.409 163 A N 0.345 123.161 122.820 -0.006 0.000 1.933 163 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 163 A C 2.250 179.830 177.584 -0.006 0.000 1.175 163 A CA 1.719 53.753 52.037 -0.006 0.000 0.628 163 A CB -0.563 18.435 19.000 -0.004 0.000 0.814 163 A HN 0.458 nan 8.150 nan 0.000 0.444 164 E N -0.600 119.597 120.200 -0.006 0.000 2.152 164 E HA -0.029 4.321 4.350 -0.000 0.000 0.192 164 E C 2.245 178.840 176.600 -0.007 0.000 0.983 164 E CA 0.701 57.098 56.400 -0.006 0.000 0.818 164 E CB -0.178 29.519 29.700 -0.005 0.000 0.758 164 E HN 0.632 nan 8.360 nan 0.000 0.467 165 A N 0.852 123.667 122.820 -0.009 0.000 1.929 165 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 165 A C 2.065 179.642 177.584 -0.012 0.000 1.176 165 A CA 0.913 52.944 52.037 -0.011 0.000 0.628 165 A CB -0.242 18.750 19.000 -0.013 0.000 0.816 165 A HN 0.123 nan 8.150 nan 0.000 0.444 166 M N -1.037 118.556 119.600 -0.012 0.000 2.492 166 M HA -0.060 4.420 4.480 -0.000 0.000 0.262 166 M C 1.207 177.501 176.300 -0.009 0.000 1.090 166 M CA 1.172 56.465 55.300 -0.012 0.000 1.110 166 M CB -0.288 32.304 32.600 -0.013 0.000 1.407 166 M HN 0.334 nan 8.290 nan 0.000 0.470 167 D N 0.375 120.770 120.400 -0.008 0.000 2.347 167 D HA -0.049 4.591 4.640 -0.000 0.000 0.213 167 D C 2.001 178.297 176.300 -0.006 0.000 0.985 167 D CA 0.798 54.794 54.000 -0.006 0.000 0.879 167 D CB 0.433 41.230 40.800 -0.005 0.000 0.919 167 D HN 0.033 nan 8.370 nan 0.000 0.526 168 K N -0.472 119.924 120.400 -0.007 0.000 2.172 168 K HA 0.054 4.374 4.320 -0.000 0.000 0.203 168 K C 1.892 178.487 176.600 -0.007 0.000 1.040 168 K CA 0.864 57.147 56.287 -0.007 0.000 0.974 168 K CB 0.093 32.589 32.500 -0.007 0.000 0.857 168 K HN 0.160 nan 8.250 nan 0.000 0.464 169 V N -2.524 117.385 119.914 -0.009 0.000 3.471 169 V HA 0.358 4.478 4.120 -0.000 0.000 0.258 169 V C 0.829 176.918 176.094 -0.009 0.000 1.192 169 V CA 0.417 62.712 62.300 -0.009 0.000 1.116 169 V CB -0.259 31.557 31.823 -0.011 0.000 0.792 169 V HN 0.384 nan 8.190 nan 0.000 0.459 170 G N 0.966 109.760 108.800 -0.010 0.000 2.566 170 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.599 170 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.599 170 G C 0.001 174.894 174.900 -0.012 0.000 1.292 170 G CA -0.000 45.094 45.100 -0.009 0.000 0.922 170 G HN 0.268 nan 8.290 nan 0.000 0.514 171 K N 0.014 120.407 120.400 -0.011 0.000 2.228 171 K HA 0.056 4.376 4.320 -0.000 0.000 0.202 171 K C 1.815 178.406 176.600 -0.016 0.000 1.051 171 K CA 1.415 57.694 56.287 -0.013 0.000 0.960 171 K CB 0.079 32.573 32.500 -0.010 0.000 0.743 171 K HN 0.465 nan 8.250 nan 0.000 0.458 172 E N 0.648 120.840 120.200 -0.013 0.000 2.447 172 E HA 0.025 4.375 4.350 -0.000 0.000 0.195 172 E C 1.007 177.598 176.600 -0.016 0.000 1.028 172 E CA 0.071 56.463 56.400 -0.014 0.000 0.876 172 E CB 0.225 29.920 29.700 -0.009 0.000 0.885 172 E HN 0.237 nan 8.360 nan 0.000 0.500 173 G N 1.301 110.091 108.800 -0.016 0.000 2.664 173 G HA2 0.212 4.172 3.960 -0.000 0.000 0.242 173 G HA3 0.212 4.172 3.960 -0.000 0.000 0.242 173 G C 0.085 174.971 174.900 -0.023 0.000 1.225 173 G CA -0.435 44.656 45.100 -0.016 0.000 0.849 173 G HN -0.044 nan 8.290 nan 0.000 0.581 174 V N 1.183 121.084 119.914 -0.022 0.000 2.383 174 V HA 0.379 4.499 4.120 -0.000 0.000 0.275 174 V C 0.145 176.221 176.094 -0.031 0.000 1.036 174 V CA -0.210 62.072 62.300 -0.030 0.000 0.889 174 V CB 0.804 32.612 31.823 -0.025 0.000 0.985 174 V HN 0.479 nan 8.190 nan 0.000 0.459 175 I N 4.299 124.845 120.570 -0.041 0.000 2.436 175 I HA 0.591 4.761 4.170 -0.000 0.000 0.289 175 I C -0.024 176.070 176.117 -0.038 0.000 1.010 175 I CA -0.088 61.190 61.300 -0.036 0.000 1.098 175 I CB 2.204 40.182 38.000 -0.037 0.000 1.266 175 I HN 0.561 nan 8.210 nan 0.000 0.434 176 T N 4.603 119.141 114.554 -0.027 0.000 2.900 176 T HA 0.597 4.947 4.350 -0.000 0.000 0.295 176 T C -0.580 174.112 174.700 -0.013 0.000 1.044 176 T CA -0.659 61.428 62.100 -0.021 0.000 0.995 176 T CB 2.517 71.372 68.868 -0.022 0.000 1.072 176 T HN 0.158 nan 8.240 nan 0.000 0.473 177 V N 2.869 122.779 119.914 -0.006 0.000 2.459 177 V HA 0.596 4.716 4.120 -0.000 0.000 0.295 177 V C -0.165 175.927 176.094 -0.002 0.000 1.029 177 V CA -0.631 61.668 62.300 -0.002 0.000 0.874 177 V CB 1.514 33.340 31.823 0.004 0.000 0.985 177 V HN 1.031 nan 8.190 nan 0.000 0.438 178 E N 2.544 122.741 120.200 -0.004 0.000 2.445 178 E HA 0.499 4.849 4.350 -0.000 0.000 0.273 178 E C -1.501 175.096 176.600 -0.005 0.000 0.961 178 E CA -1.126 55.271 56.400 -0.005 0.000 0.807 178 E CB 1.467 31.162 29.700 -0.009 0.000 1.362 178 E HN 0.448 nan 8.360 nan 0.000 0.453 179 D N 0.587 120.984 120.400 -0.006 0.000 2.443 179 D HA 0.150 4.790 4.640 -0.000 0.000 0.239 179 D C 0.168 176.464 176.300 -0.006 0.000 1.136 179 D CA 0.544 54.541 54.000 -0.006 0.000 0.879 179 D CB 1.057 41.853 40.800 -0.006 0.000 1.195 179 D HN 0.537 nan 8.370 nan 0.000 0.443 180 G N -0.169 108.628 108.800 -0.006 0.000 2.537 180 G HA2 0.276 4.236 3.960 -0.000 0.000 0.273 180 G HA3 0.276 4.236 3.960 -0.000 0.000 0.273 180 G C 1.065 175.962 174.900 -0.006 0.000 1.189 180 G CA -0.240 44.857 45.100 -0.006 0.000 0.881 180 G HN 0.453 nan 8.290 nan 0.000 0.535 181 T N -2.187 112.363 114.554 -0.006 0.000 3.031 181 T HA 0.412 4.762 4.350 -0.000 0.000 0.254 181 T C 1.270 175.967 174.700 -0.005 0.000 1.060 181 T CA 1.114 63.211 62.100 -0.006 0.000 1.135 181 T CB 0.254 69.118 68.868 -0.007 0.000 0.896 181 T HN 1.001 nan 8.240 nan 0.000 0.472 182 G N 0.834 109.631 108.800 -0.005 0.000 3.159 182 G HA2 0.456 4.416 3.960 -0.000 0.000 0.150 182 G HA3 0.456 4.416 3.960 -0.000 0.000 0.150 182 G C -0.232 174.666 174.900 -0.004 0.000 1.193 182 G CA -0.018 45.080 45.100 -0.004 0.000 1.177 182 G HN 0.250 nan 8.290 nan 0.000 0.635 183 L N -0.064 121.157 121.223 -0.004 0.000 2.616 183 L HA 0.550 4.890 4.340 -0.000 0.000 0.229 183 L C 0.575 177.443 176.870 -0.003 0.000 1.110 183 L CA 0.553 55.391 54.840 -0.003 0.000 0.884 183 L CB 0.170 42.227 42.059 -0.003 0.000 1.115 183 L HN 0.412 nan 8.230 nan 0.000 0.481 184 Q N 0.059 119.857 119.800 -0.003 0.000 2.377 184 Q HA 0.286 4.626 4.340 -0.000 0.000 0.271 184 Q C -1.176 174.822 176.000 -0.004 0.000 1.077 184 Q CA -0.882 54.919 55.803 -0.003 0.000 0.820 184 Q CB 1.788 30.524 28.738 -0.003 0.000 1.347 184 Q HN 0.081 nan 8.270 nan 0.000 0.444 185 D N 2.653 123.050 120.400 -0.004 0.000 2.383 185 D HA 0.064 4.704 4.640 -0.000 0.000 0.252 185 D C -0.448 175.849 176.300 -0.004 0.000 1.166 185 D CA 0.579 54.577 54.000 -0.004 0.000 0.879 185 D CB 0.846 41.644 40.800 -0.004 0.000 1.164 185 D HN 0.333 nan 8.370 nan 0.000 0.462 186 E N 0.874 121.071 120.200 -0.005 0.000 2.212 186 E HA 0.564 4.914 4.350 -0.000 0.000 0.270 186 E C -0.733 175.863 176.600 -0.006 0.000 0.956 186 E CA -1.031 55.365 56.400 -0.006 0.000 0.825 186 E CB 2.319 32.015 29.700 -0.006 0.000 1.167 186 E HN 0.109 nan 8.360 nan 0.000 0.400 187 L N 2.705 123.924 121.223 -0.006 0.000 2.555 187 L HA 0.359 4.699 4.340 -0.000 0.000 0.264 187 L C -1.905 174.961 176.870 -0.007 0.000 0.972 187 L CA -0.269 54.567 54.840 -0.007 0.000 0.876 187 L CB 1.303 43.358 42.059 -0.006 0.000 1.216 187 L HN 0.385 nan 8.230 nan 0.000 0.415 188 D N 3.556 123.951 120.400 -0.008 0.000 2.419 188 D HA 0.562 5.202 4.640 -0.000 0.000 0.234 188 D C -0.891 175.404 176.300 -0.008 0.000 1.014 188 D CA -0.290 53.706 54.000 -0.008 0.000 0.919 188 D CB 2.959 43.755 40.800 -0.008 0.000 1.366 188 D HN 0.203 nan 8.370 nan 0.000 0.490 189 V N 1.473 121.383 119.914 -0.007 0.000 2.334 189 V HA 0.319 4.439 4.120 -0.000 0.000 0.281 189 V C 0.306 176.397 176.094 -0.006 0.000 1.016 189 V CA -0.698 61.598 62.300 -0.007 0.000 0.832 189 V CB 1.147 32.966 31.823 -0.006 0.000 0.999 189 V HN 0.420 nan 8.190 nan 0.000 0.439 190 V N 1.628 121.538 119.914 -0.007 0.000 2.881 190 V HA 0.651 4.771 4.120 -0.000 0.000 0.316 190 V C 0.058 176.150 176.094 -0.004 0.000 1.070 190 V CA -0.999 61.298 62.300 -0.006 0.000 0.976 190 V CB 1.950 33.768 31.823 -0.009 0.000 1.038 190 V HN 0.677 nan 8.190 nan 0.000 0.446 191 E N 2.250 122.449 120.200 -0.002 0.000 2.238 191 E HA 0.501 4.851 4.350 -0.000 0.000 0.264 191 E C 0.271 176.874 176.600 0.005 0.000 1.136 191 E CA 0.639 57.040 56.400 0.001 0.000 0.929 191 E CB 0.753 30.454 29.700 0.002 0.000 1.010 191 E HN 1.084 nan 8.360 nan 0.000 0.440 192 G N 1.704 110.509 108.800 0.009 0.000 2.721 192 G HA2 0.685 4.645 3.960 -0.000 0.000 0.296 192 G HA3 0.685 4.645 3.960 -0.000 0.000 0.296 192 G C -1.159 173.758 174.900 0.028 0.000 1.383 192 G CA -0.637 44.472 45.100 0.016 0.000 0.788 192 G HN 0.371 nan 8.290 nan 0.000 0.500 193 M N -0.029 119.597 119.600 0.045 0.000 2.520 193 M HA 0.499 4.979 4.480 -0.000 0.000 0.280 193 M C -2.072 174.274 176.300 0.078 0.000 1.232 193 M CA -0.629 54.715 55.300 0.074 0.000 0.892 193 M CB 2.705 35.372 32.600 0.113 0.000 1.728 193 M HN 0.636 nan 8.290 nan 0.000 0.475 194 Q N 3.588 123.432 119.800 0.073 0.000 2.323 194 Q HA 0.643 4.983 4.340 -0.000 0.000 0.271 194 Q C -2.086 173.963 176.000 0.082 0.000 1.048 194 Q CA -0.602 55.197 55.803 -0.006 0.000 0.792 194 Q CB 2.020 30.724 28.738 -0.057 0.000 1.280 194 Q HN 0.601 nan 8.270 nan 0.000 0.441 195 F N -0.134 119.810 119.950 -0.009 0.000 2.631 195 F HA 0.541 5.068 4.527 -0.000 0.000 0.328 195 F C -0.094 175.700 175.800 -0.010 0.000 1.067 195 F CA -1.171 56.826 58.000 -0.006 0.000 0.969 195 F CB 0.971 39.971 39.000 0.001 0.000 1.332 195 F HN 0.302 nan 8.300 nan 0.000 0.490 196 D N 2.012 122.539 120.400 0.212 0.000 3.008 196 D HA 0.144 4.784 4.640 -0.000 0.000 0.242 196 D C -0.172 176.194 176.300 0.110 0.000 1.222 196 D CA 0.358 54.410 54.000 0.086 0.000 0.883 196 D CB -0.115 40.731 40.800 0.078 0.000 1.110 196 D HN 0.281 nan 8.370 nan 0.000 0.455 197 R N -0.470 120.072 120.500 0.071 0.000 2.807 197 R HA 0.735 5.075 4.340 -0.000 0.000 0.276 197 R C 0.370 176.612 176.300 -0.097 0.000 0.979 197 R CA -0.819 55.336 56.100 0.092 0.000 0.928 197 R CB 2.219 32.769 30.300 0.417 0.000 1.191 197 R HN 0.098 nan 8.270 nan 0.000 0.471 198 G N 0.255 109.005 108.800 -0.084 0.000 3.015 198 G HA2 0.463 4.423 3.960 -0.000 0.000 0.281 198 G HA3 0.463 4.423 3.960 -0.000 0.000 0.281 198 G C -1.153 173.688 174.900 -0.098 0.000 1.386 198 G CA -0.700 44.275 45.100 -0.209 0.000 0.959 198 G HN 0.442 nan 8.290 nan 0.000 0.522 199 Y N -0.551 119.795 120.300 0.075 0.000 2.610 199 Y HA 0.410 4.960 4.550 -0.000 0.000 0.332 199 Y C 1.096 177.119 175.900 0.205 0.000 1.201 199 Y CA -1.183 57.013 58.100 0.160 0.000 1.465 199 Y CB 0.420 39.005 38.460 0.207 0.000 1.283 199 Y HN 0.154 nan 8.280 nan 0.000 0.563 200 L N 1.948 123.480 121.223 0.515 0.000 2.395 200 L HA 0.113 4.453 4.340 -0.000 0.000 0.218 200 L C 0.684 177.761 176.870 0.346 0.000 1.130 200 L CA 1.099 56.173 54.840 0.390 0.000 0.826 200 L CB -0.224 42.045 42.059 0.351 0.000 0.941 200 L HN 0.778 nan 8.230 nan 0.000 0.451 201 S N -1.498 114.415 115.700 0.356 0.000 2.603 201 S HA 0.360 4.830 4.470 -0.000 0.000 0.274 201 S C -2.169 172.386 174.600 -0.075 0.000 1.168 201 S CA -0.958 57.297 58.200 0.092 0.000 0.963 201 S CB 1.458 64.619 63.200 -0.066 0.000 1.078 201 S HN -0.170 nan 8.310 nan 0.000 0.477 202 P HA -0.118 nan 4.420 nan 0.000 0.224 202 P C 0.621 177.599 177.300 -0.537 0.000 1.142 202 P CA 1.024 63.699 63.100 -0.708 0.000 0.778 202 P CB -0.181 31.207 31.700 -0.520 0.000 0.764 203 Y N -2.034 118.061 120.300 -0.341 0.000 2.639 203 Y HA -0.049 4.501 4.550 -0.000 0.000 0.297 203 Y C 1.928 177.663 175.900 -0.275 0.000 1.151 203 Y CA 0.669 58.584 58.100 -0.308 0.000 1.335 203 Y CB -1.094 37.169 38.460 -0.328 0.000 0.994 203 Y HN -0.119 nan 8.280 nan 0.000 0.548 204 F N -0.415 119.519 119.950 -0.027 0.000 2.558 204 F HA 0.036 4.563 4.527 0.000 0.000 0.298 204 F C 1.045 176.805 175.800 -0.067 0.000 1.119 204 F CA -0.417 57.571 58.000 -0.020 0.000 1.451 204 F CB -0.615 38.394 39.000 0.016 0.000 1.091 204 F HN -0.165 nan 8.300 nan 0.000 0.563 205 I N 2.619 123.180 120.570 -0.014 0.000 2.668 205 I HA -0.137 4.033 4.170 -0.000 0.000 0.285 205 I C 1.068 177.180 176.117 -0.008 0.000 1.168 205 I CA 0.348 61.612 61.300 -0.060 0.000 1.424 205 I CB 0.287 38.174 38.000 -0.187 0.000 1.377 205 I HN 0.190 nan 8.210 nan 0.000 0.560 206 N N 6.546 125.253 118.700 0.012 0.000 2.200 206 N HA 0.059 4.799 4.740 -0.000 0.000 0.224 206 N C -0.400 175.110 175.510 0.000 0.000 1.179 206 N CA -0.227 52.830 53.050 0.011 0.000 0.877 206 N CB 0.676 39.179 38.487 0.027 0.000 1.072 206 N HN 0.404 nan 8.380 nan 0.000 0.519 207 K N 1.262 121.659 120.400 -0.006 0.000 2.752 207 K HA 0.305 4.625 4.320 -0.000 0.000 0.199 207 K C -2.223 174.367 176.600 -0.018 0.000 1.069 207 K CA -1.238 55.045 56.287 -0.008 0.000 1.033 207 K CB 2.422 34.923 32.500 0.002 0.000 1.229 207 K HN -0.101 nan 8.250 nan 0.000 0.572 208 P HA -0.114 nan 4.420 nan 0.000 0.220 208 P C 0.721 178.003 177.300 -0.030 0.000 1.148 208 P CA 1.062 64.140 63.100 -0.038 0.000 0.803 208 P CB 0.418 32.094 31.700 -0.039 0.000 0.782 209 E N -1.144 119.042 120.200 -0.023 0.000 2.338 209 E HA -0.092 4.258 4.350 -0.000 0.000 0.197 209 E C 1.494 178.081 176.600 -0.022 0.000 1.007 209 E CA 1.570 57.957 56.400 -0.022 0.000 0.849 209 E CB -0.186 29.503 29.700 -0.018 0.000 0.774 209 E HN 0.464 nan 8.360 nan 0.000 0.506 210 T N -4.300 110.244 114.554 -0.017 0.000 3.182 210 T HA 0.328 4.678 4.350 -0.000 0.000 0.244 210 T C 1.201 175.896 174.700 -0.008 0.000 0.981 210 T CA 0.317 62.407 62.100 -0.016 0.000 1.182 210 T CB 0.998 69.865 68.868 -0.003 0.000 1.043 210 T HN 0.101 nan 8.240 nan 0.000 0.424 211 G N 1.049 109.853 108.800 0.006 0.000 2.743 211 G HA2 0.498 4.457 3.960 -0.000 0.000 0.192 211 G HA3 0.498 4.457 3.960 -0.000 0.000 0.192 211 G C -0.313 174.638 174.900 0.085 0.000 1.077 211 G CA -0.344 44.768 45.100 0.021 0.000 0.956 211 G HN 1.225 nan 8.290 nan 0.000 0.556 212 A N -0.336 122.518 122.820 0.056 0.000 2.589 212 A HA 0.907 5.227 4.320 -0.000 0.000 0.296 212 A C -0.152 177.472 177.584 0.066 0.000 1.062 212 A CA -0.302 51.800 52.037 0.108 0.000 0.686 212 A CB 1.566 20.622 19.000 0.092 0.000 1.282 212 A HN 1.529 nan 8.150 nan 0.000 0.404 213 V N 0.870 120.847 119.914 0.105 0.000 2.775 213 V HA 0.526 4.646 4.120 -0.000 0.000 0.299 213 V C 0.408 176.530 176.094 0.047 0.000 1.062 213 V CA 0.037 62.382 62.300 0.075 0.000 1.063 213 V CB 1.218 33.099 31.823 0.096 0.000 0.994 213 V HN 0.917 nan 8.190 nan 0.000 0.483 214 E N 3.315 123.532 120.200 0.028 0.000 2.313 214 E HA 0.491 4.841 4.350 -0.000 0.000 0.280 214 E C -1.815 174.788 176.600 0.006 0.000 0.898 214 E CA -0.549 55.858 56.400 0.013 0.000 0.803 214 E CB 1.371 31.077 29.700 0.010 0.000 1.286 214 E HN 0.660 nan 8.360 nan 0.000 0.401 215 L N 3.612 124.832 121.223 -0.004 0.000 2.313 215 L HA 0.493 4.833 4.340 -0.000 0.000 0.283 215 L C -0.074 176.782 176.870 -0.024 0.000 1.013 215 L CA -1.061 53.773 54.840 -0.010 0.000 0.816 215 L CB 1.510 43.562 42.059 -0.011 0.000 1.236 215 L HN 0.391 nan 8.230 nan 0.000 0.419 216 E N 1.609 121.793 120.200 -0.026 0.000 2.259 216 E HA 0.130 4.480 4.350 -0.000 0.000 0.281 216 E C 0.216 176.775 176.600 -0.068 0.000 1.027 216 E CA -0.327 56.049 56.400 -0.039 0.000 0.838 216 E CB 1.551 31.234 29.700 -0.028 0.000 1.066 216 E HN 0.558 nan 8.360 nan 0.000 0.401 217 S N 2.492 118.138 115.700 -0.092 0.000 3.280 217 S HA -0.136 4.334 4.470 -0.000 0.000 0.349 217 S C -2.081 172.370 174.600 -0.249 0.000 0.936 217 S CA 0.177 58.282 58.200 -0.158 0.000 1.301 217 S CB -1.015 62.092 63.200 -0.155 0.000 0.907 217 S HN 0.384 nan 8.310 nan 0.000 0.516 218 P HA 0.527 nan 4.420 nan 0.000 0.279 218 P C -0.136 176.972 177.300 -0.321 0.000 1.276 218 P CA -0.629 62.362 63.100 -0.182 0.000 0.801 218 P CB 0.518 32.186 31.700 -0.054 0.000 1.127 219 F N -0.728 119.221 119.950 -0.002 0.000 2.432 219 F HA 0.456 4.983 4.527 -0.000 0.000 0.329 219 F C 0.529 176.328 175.800 -0.002 0.000 1.076 219 F CA -0.490 57.510 58.000 -0.001 0.000 1.018 219 F CB 0.861 39.861 39.000 -0.001 0.000 1.201 219 F HN -0.002 nan 8.300 nan 0.000 0.489 220 I N 3.297 123.984 120.570 0.194 0.000 2.436 220 I HA 0.339 4.509 4.170 -0.000 0.000 0.289 220 I C -0.983 175.189 176.117 0.091 0.000 1.010 220 I CA -0.586 60.779 61.300 0.108 0.000 1.098 220 I CB 1.675 39.718 38.000 0.073 0.000 1.266 220 I HN 0.330 nan 8.210 nan 0.000 0.434 221 L N 7.626 128.885 121.223 0.060 0.000 2.307 221 L HA 0.623 4.963 4.340 -0.000 0.000 0.282 221 L C -1.146 175.740 176.870 0.025 0.000 1.051 221 L CA -0.039 54.823 54.840 0.036 0.000 0.804 221 L CB 0.924 42.996 42.059 0.022 0.000 1.197 221 L HN 0.492 nan 8.230 nan 0.000 0.431 222 L N 6.179 127.412 121.223 0.016 0.000 2.401 222 L HA 0.696 5.036 4.340 -0.000 0.000 0.263 222 L C -0.450 176.419 176.870 -0.001 0.000 1.004 222 L CA -0.373 54.469 54.840 0.004 0.000 0.881 222 L CB 1.322 43.382 42.059 0.000 0.000 1.219 222 L HN 0.784 nan 8.230 nan 0.000 0.441 223 A N 1.028 123.848 122.820 -0.001 0.000 2.303 223 A HA 0.492 4.812 4.320 -0.000 0.000 0.320 223 A C -0.559 177.022 177.584 -0.005 0.000 1.192 223 A CA -0.443 51.593 52.037 -0.001 0.000 0.821 223 A CB 0.956 19.959 19.000 0.006 0.000 1.188 223 A HN 0.568 nan 8.150 nan 0.000 0.492 224 D N 2.281 122.676 120.400 -0.007 0.000 2.767 224 D HA 0.363 5.003 4.640 -0.000 0.000 0.241 224 D C 0.052 176.349 176.300 -0.004 0.000 1.187 224 D CA 0.206 54.200 54.000 -0.010 0.000 0.999 224 D CB -0.500 40.291 40.800 -0.015 0.000 1.042 224 D HN 0.656 nan 8.370 nan 0.000 0.510 225 K N -0.923 119.478 120.400 0.002 0.000 2.770 225 K HA 0.367 4.687 4.320 -0.000 0.000 0.289 225 K C -1.092 175.517 176.600 0.015 0.000 1.051 225 K CA -1.135 55.156 56.287 0.007 0.000 0.814 225 K CB 0.788 33.291 32.500 0.007 0.000 1.512 225 K HN -0.217 nan 8.250 nan 0.000 0.368 226 K N 1.338 121.749 120.400 0.019 0.000 2.263 226 K HA 0.403 4.722 4.320 -0.000 0.000 0.272 226 K C -0.703 175.912 176.600 0.026 0.000 1.033 226 K CA -0.487 55.816 56.287 0.026 0.000 0.884 226 K CB 0.756 33.273 32.500 0.028 0.000 1.107 226 K HN 0.348 nan 8.250 nan 0.000 0.460 227 I N 2.198 122.786 120.570 0.031 0.000 2.396 227 I HA 0.008 4.178 4.170 -0.000 0.000 0.289 227 I C 0.718 176.856 176.117 0.036 0.000 1.056 227 I CA 0.252 61.571 61.300 0.031 0.000 1.365 227 I CB 1.257 39.278 38.000 0.035 0.000 1.407 227 I HN 0.640 nan 8.210 nan 0.000 0.509 228 S N 3.599 119.317 115.700 0.030 0.000 2.628 228 S HA 0.218 4.688 4.470 -0.000 0.000 0.246 228 S C 0.411 175.027 174.600 0.026 0.000 1.062 228 S CA -0.317 57.900 58.200 0.029 0.000 1.028 228 S CB 0.285 63.500 63.200 0.025 0.000 0.985 228 S HN 0.622 nan 8.310 nan 0.000 0.551 229 N N 0.614 119.327 118.700 0.022 0.000 2.362 229 N HA 0.476 5.216 4.740 -0.000 0.000 0.299 229 N C -0.424 175.098 175.510 0.020 0.000 1.170 229 N CA -0.379 52.682 53.050 0.019 0.000 0.825 229 N CB 2.132 40.627 38.487 0.014 0.000 1.299 229 N HN 0.001 nan 8.380 nan 0.000 0.502 230 I N 0.817 121.397 120.570 0.018 0.000 3.956 230 I HA 0.133 4.303 4.170 -0.000 0.000 0.333 230 I C 1.935 178.059 176.117 0.012 0.000 1.302 230 I CA 0.092 61.403 61.300 0.018 0.000 1.122 230 I CB 0.142 38.154 38.000 0.021 0.000 1.013 230 I HN 0.368 nan 8.210 nan 0.000 0.405 231 R N 0.479 120.985 120.500 0.009 0.000 2.316 231 R HA -0.061 4.279 4.340 -0.000 0.000 0.202 231 R C 1.304 177.606 176.300 0.005 0.000 1.029 231 R CA 0.986 57.089 56.100 0.006 0.000 1.018 231 R CB 0.164 30.467 30.300 0.005 0.000 0.888 231 R HN 0.464 nan 8.270 nan 0.000 0.471 232 E N -1.090 119.114 120.200 0.007 0.000 2.389 232 E HA 0.041 4.391 4.350 -0.000 0.000 0.199 232 E C 1.257 177.860 176.600 0.004 0.000 0.978 232 E CA 0.150 56.553 56.400 0.005 0.000 0.912 232 E CB 0.425 30.129 29.700 0.007 0.000 0.907 232 E HN 0.171 nan 8.360 nan 0.000 0.494 233 M N 0.567 120.171 119.600 0.007 0.000 2.556 233 M HA 0.098 4.578 4.480 -0.000 0.000 0.245 233 M C 1.800 178.101 176.300 0.000 0.000 1.128 233 M CA 0.390 55.694 55.300 0.006 0.000 1.069 233 M CB -0.362 32.247 32.600 0.015 0.000 1.469 233 M HN 0.181 nan 8.290 nan 0.000 0.494 234 L N 1.146 122.368 121.223 -0.001 0.000 2.054 234 L HA -0.293 4.047 4.340 -0.000 0.000 0.240 234 L C -0.539 176.325 176.870 -0.011 0.000 1.107 234 L CA 2.534 57.371 54.840 -0.004 0.000 0.833 234 L CB -1.796 40.260 42.059 -0.005 0.000 0.929 234 L HN 0.209 nan 8.230 nan 0.000 0.447 235 P HA -0.007 nan 4.420 nan 0.000 0.230 235 P C 1.727 179.005 177.300 -0.036 0.000 1.168 235 P CA 0.570 63.656 63.100 -0.024 0.000 0.793 235 P CB 0.173 31.859 31.700 -0.024 0.000 0.851 236 V N 0.376 120.270 119.914 -0.033 0.000 2.237 236 V HA -0.236 3.884 4.120 -0.000 0.000 0.245 236 V C 2.522 178.586 176.094 -0.050 0.000 1.046 236 V CA 1.728 64.000 62.300 -0.047 0.000 1.007 236 V CB -1.397 30.407 31.823 -0.031 0.000 0.638 236 V HN -0.001 nan 8.190 nan 0.000 0.445 237 L N -0.227 120.980 121.223 -0.026 0.000 2.013 237 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 237 L C 2.533 179.389 176.870 -0.024 0.000 1.073 237 L CA 1.857 56.687 54.840 -0.016 0.000 0.753 237 L CB -0.611 41.450 42.059 0.002 0.000 0.890 237 L HN 0.386 nan 8.230 nan 0.000 0.432 238 E N -0.735 119.450 120.200 -0.025 0.000 2.418 238 E HA -0.092 4.258 4.350 -0.000 0.000 0.197 238 E C 1.878 178.455 176.600 -0.040 0.000 1.026 238 E CA 0.692 57.077 56.400 -0.025 0.000 0.862 238 E CB 0.068 29.757 29.700 -0.019 0.000 0.799 238 E HN 0.521 nan 8.360 nan 0.000 0.518 239 A N 0.160 122.943 122.820 -0.062 0.000 2.167 239 A HA 0.083 4.403 4.320 -0.000 0.000 0.208 239 A C 2.183 179.681 177.584 -0.143 0.000 1.198 239 A CA -0.076 51.906 52.037 -0.091 0.000 0.863 239 A CB 0.237 19.178 19.000 -0.099 0.000 0.904 239 A HN 0.055 nan 8.150 nan 0.000 0.484 240 V N 0.171 120.000 119.914 -0.140 0.000 2.307 240 V HA -0.201 3.919 4.120 -0.000 0.000 0.245 240 V C 2.973 179.022 176.094 -0.075 0.000 1.045 240 V CA 1.980 64.175 62.300 -0.174 0.000 1.024 240 V CB -0.843 30.923 31.823 -0.096 0.000 0.651 240 V HN 0.553 nan 8.190 nan 0.000 0.449 241 A N -0.626 122.175 122.820 -0.031 0.000 2.121 241 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 241 A C 2.254 179.838 177.584 -0.000 0.000 1.154 241 A CA 1.850 53.888 52.037 0.002 0.000 0.679 241 A CB -0.411 18.592 19.000 0.005 0.000 0.795 241 A HN 0.544 nan 8.150 nan 0.000 0.458 242 K N 0.057 120.442 120.400 -0.026 0.000 2.025 242 K HA 0.017 4.337 4.320 -0.000 0.000 0.207 242 K C 0.991 177.591 176.600 -0.001 0.000 1.049 242 K CA 1.136 57.412 56.287 -0.019 0.000 0.933 242 K CB -0.231 32.247 32.500 -0.037 0.000 0.714 242 K HN 0.329 nan 8.250 nan 0.000 0.438 243 A N 1.415 124.228 122.820 -0.011 0.000 3.056 243 A HA 0.302 4.622 4.320 -0.000 0.000 0.274 243 A C 0.258 177.925 177.584 0.138 0.000 1.661 243 A CA -0.078 51.999 52.037 0.068 0.000 1.363 243 A CB -0.427 18.623 19.000 0.082 0.000 1.139 243 A HN 0.412 nan 8.150 nan 0.000 0.598 244 G N 1.662 110.516 108.800 0.091 0.000 2.452 244 G HA2 0.180 4.140 3.960 -0.000 0.000 0.290 244 G HA3 0.180 4.140 3.960 -0.000 0.000 0.290 244 G C 0.133 175.106 174.900 0.121 0.000 0.717 244 G CA 0.480 45.632 45.100 0.087 0.000 1.967 244 G HN 0.653 nan 8.290 nan 0.000 0.471 245 K N 1.926 122.437 120.400 0.185 0.000 2.532 245 K HA 0.412 4.732 4.320 -0.000 0.000 0.265 245 K C -2.534 174.185 176.600 0.197 0.000 0.948 245 K CA -1.873 54.529 56.287 0.191 0.000 0.842 245 K CB 3.076 35.723 32.500 0.244 0.000 1.392 245 K HN 0.063 nan 8.250 nan 0.000 0.436 246 P HA 0.051 nan 4.420 nan 0.000 0.269 246 P C -1.183 176.196 177.300 0.131 0.000 1.215 246 P CA -0.439 62.716 63.100 0.092 0.000 0.780 246 P CB 0.649 32.373 31.700 0.041 0.000 0.898 247 L N 2.617 123.895 121.223 0.092 0.000 2.346 247 L HA 0.592 4.932 4.340 -0.000 0.000 0.274 247 L C -1.246 175.636 176.870 0.021 0.000 1.007 247 L CA -0.995 53.900 54.840 0.093 0.000 0.818 247 L CB 1.668 43.771 42.059 0.073 0.000 1.284 247 L HN 0.169 nan 8.230 nan 0.000 0.424 248 L N 5.472 126.713 121.223 0.030 0.000 2.349 248 L HA 0.604 4.944 4.340 -0.000 0.000 0.278 248 L C -1.252 175.618 176.870 0.000 0.000 0.996 248 L CA -0.296 54.538 54.840 -0.011 0.000 0.825 248 L CB 1.387 43.452 42.059 0.010 0.000 1.243 248 L HN 0.394 nan 8.230 nan 0.000 0.412 249 I N 6.735 127.284 120.570 -0.035 0.000 2.321 249 I HA 0.368 4.538 4.170 -0.000 0.000 0.291 249 I C -0.172 175.953 176.117 0.014 0.000 0.998 249 I CA -0.284 61.010 61.300 -0.009 0.000 1.227 249 I CB 1.126 39.115 38.000 -0.017 0.000 1.368 249 I HN 0.523 nan 8.210 nan 0.000 0.466 250 I N 5.870 126.455 120.570 0.026 0.000 2.411 250 I HA 0.697 4.867 4.170 -0.000 0.000 0.284 250 I C -0.004 176.120 176.117 0.011 0.000 1.012 250 I CA -0.309 61.009 61.300 0.029 0.000 1.119 250 I CB 1.722 39.736 38.000 0.023 0.000 1.261 250 I HN 0.683 nan 8.210 nan 0.000 0.448 251 A N 4.364 127.196 122.820 0.019 0.000 2.602 251 A HA 0.435 4.755 4.320 -0.000 0.000 0.290 251 A C 0.604 178.201 177.584 0.022 0.000 1.114 251 A CA -0.545 51.501 52.037 0.015 0.000 0.683 251 A CB 1.555 20.568 19.000 0.023 0.000 1.281 251 A HN 0.734 nan 8.150 nan 0.000 0.416 252 E N -0.205 120.007 120.200 0.019 0.000 2.086 252 E HA -0.222 4.128 4.350 -0.000 0.000 0.205 252 E C -0.107 176.519 176.600 0.044 0.000 1.027 252 E CA 2.046 58.462 56.400 0.027 0.000 0.830 252 E CB 0.121 29.835 29.700 0.024 0.000 0.751 252 E HN 0.601 nan 8.360 nan 0.000 0.456 253 D N -1.980 118.449 120.400 0.048 0.000 2.623 253 D HA 0.210 4.850 4.640 -0.000 0.000 0.241 253 D C -1.768 174.571 176.300 0.065 0.000 1.241 253 D CA -0.503 53.534 54.000 0.063 0.000 0.788 253 D CB 2.228 43.065 40.800 0.061 0.000 1.413 253 D HN -0.121 nan 8.370 nan 0.000 0.429 254 V N 2.450 122.415 119.914 0.085 0.000 2.376 254 V HA 0.379 4.499 4.120 -0.000 0.000 0.287 254 V C -0.022 176.129 176.094 0.095 0.000 1.015 254 V CA -0.583 61.772 62.300 0.092 0.000 0.834 254 V CB 1.453 33.346 31.823 0.117 0.000 1.001 254 V HN 0.385 nan 8.190 nan 0.000 0.428 255 E N 2.498 122.741 120.200 0.072 0.000 2.222 255 E HA 0.576 4.926 4.350 -0.000 0.000 0.267 255 E C 1.227 177.858 176.600 0.053 0.000 0.963 255 E CA -0.048 56.388 56.400 0.061 0.000 0.837 255 E CB 1.878 31.606 29.700 0.047 0.000 1.183 255 E HN 0.711 nan 8.360 nan 0.000 0.403 256 G N 2.084 110.910 108.800 0.043 0.000 3.719 256 G HA2 -0.514 3.446 3.960 -0.000 0.000 0.266 256 G HA3 -0.514 3.446 3.960 -0.000 0.000 0.266 256 G C 1.292 176.206 174.900 0.025 0.000 0.902 256 G CA 1.864 46.981 45.100 0.029 0.000 0.775 256 G HN 0.725 nan 8.290 nan 0.000 1.342 257 E N 1.063 121.276 120.200 0.021 0.000 2.055 257 E HA -0.107 4.243 4.350 -0.000 0.000 0.209 257 E C 2.850 179.466 176.600 0.025 0.000 1.036 257 E CA 3.151 59.561 56.400 0.017 0.000 0.849 257 E CB -1.154 28.555 29.700 0.015 0.000 0.767 257 E HN 0.906 nan 8.360 nan 0.000 0.461 258 A N 0.079 122.920 122.820 0.035 0.000 1.933 258 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 258 A C 2.337 179.963 177.584 0.070 0.000 1.175 258 A CA 1.680 53.745 52.037 0.047 0.000 0.628 258 A CB -0.865 18.164 19.000 0.048 0.000 0.814 258 A HN 0.407 nan 8.150 nan 0.000 0.444 259 L N -0.381 120.889 121.223 0.078 0.000 1.973 259 L HA 0.018 4.358 4.340 -0.000 0.000 0.208 259 L C 2.745 179.651 176.870 0.061 0.000 1.073 259 L CA 2.234 57.140 54.840 0.110 0.000 0.746 259 L CB -0.835 41.290 42.059 0.110 0.000 0.891 259 L HN 0.321 nan 8.230 nan 0.000 0.433 260 A N -0.823 122.006 122.820 0.016 0.000 1.927 260 A HA -0.316 4.004 4.320 -0.000 0.000 0.220 260 A C 2.337 179.900 177.584 -0.034 0.000 1.185 260 A CA 3.017 55.034 52.037 -0.033 0.000 0.639 260 A CB -1.620 17.360 19.000 -0.032 0.000 0.820 260 A HN 0.686 nan 8.150 nan 0.000 0.451 261 T N -1.688 112.865 114.554 -0.001 0.000 2.777 261 T HA -0.036 4.314 4.350 -0.000 0.000 0.266 261 T C 1.851 176.570 174.700 0.031 0.000 1.040 261 T CA 1.301 63.404 62.100 0.005 0.000 1.141 261 T CB -0.518 68.358 68.868 0.013 0.000 0.868 261 T HN 0.276 nan 8.240 nan 0.000 0.444 262 L N 0.602 121.872 121.223 0.078 0.000 2.046 262 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 262 L C 2.930 179.900 176.870 0.167 0.000 1.077 262 L CA 0.954 55.889 54.840 0.159 0.000 0.747 262 L CB -0.549 41.662 42.059 0.254 0.000 0.896 262 L HN 0.168 nan 8.230 nan 0.000 0.432 263 V N -0.833 119.091 119.914 0.018 0.000 2.233 263 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 263 V C 2.305 178.311 176.094 -0.147 0.000 1.050 263 V CA 1.885 64.051 62.300 -0.224 0.000 1.010 263 V CB -0.298 31.323 31.823 -0.337 0.000 0.637 263 V HN 0.207 nan 8.190 nan 0.000 0.444 264 V N 0.016 119.856 119.914 -0.124 0.000 2.379 264 V HA -0.227 3.893 4.120 -0.000 0.000 0.245 264 V C 2.210 178.277 176.094 -0.045 0.000 1.044 264 V CA 2.130 64.362 62.300 -0.113 0.000 1.036 264 V CB -0.928 30.826 31.823 -0.114 0.000 0.664 264 V HN 0.611 nan 8.190 nan 0.000 0.453 265 N N 0.477 119.173 118.700 -0.008 0.000 2.104 265 N HA -0.184 4.556 4.740 -0.000 0.000 0.190 265 N C 1.831 177.361 175.510 0.034 0.000 1.024 265 N CA 2.058 55.117 53.050 0.016 0.000 0.853 265 N CB 0.077 38.583 38.487 0.031 0.000 1.008 265 N HN 0.654 nan 8.380 nan 0.000 0.424 266 T N -2.299 112.295 114.554 0.067 0.000 3.086 266 T HA 0.153 4.503 4.350 -0.000 0.000 0.250 266 T C 1.573 176.321 174.700 0.079 0.000 1.074 266 T CA -0.126 62.029 62.100 0.092 0.000 0.988 266 T CB 0.188 69.151 68.868 0.157 0.000 0.988 266 T HN 0.087 nan 8.240 nan 0.000 0.530 267 M N 0.083 119.706 119.600 0.039 0.000 2.501 267 M HA 0.333 4.813 4.480 -0.000 0.000 0.261 267 M C 2.393 178.693 176.300 0.001 0.000 1.129 267 M CA 0.249 55.559 55.300 0.016 0.000 1.126 267 M CB 0.070 32.651 32.600 -0.031 0.000 1.359 267 M HN 0.074 nan 8.290 nan 0.000 0.471 268 R N -0.212 120.285 120.500 -0.004 0.000 2.280 268 R HA -0.032 4.308 4.340 -0.000 0.000 0.207 268 R C 1.070 177.372 176.300 0.003 0.000 1.043 268 R CA 1.264 57.360 56.100 -0.007 0.000 1.006 268 R CB 0.149 30.443 30.300 -0.010 0.000 0.885 268 R HN 0.636 nan 8.270 nan 0.000 0.467 269 G N 0.065 108.873 108.800 0.014 0.000 2.481 269 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.200 269 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.200 269 G C 0.245 175.159 174.900 0.024 0.000 1.012 269 G CA -0.124 44.986 45.100 0.017 0.000 0.676 269 G HN 0.189 nan 8.290 nan 0.000 0.488 270 I N 1.252 121.836 120.570 0.024 0.000 2.836 270 I HA 0.442 4.612 4.170 -0.000 0.000 0.285 270 I C 2.142 178.282 176.117 0.039 0.000 1.174 270 I CA 0.472 61.788 61.300 0.027 0.000 1.405 270 I CB 1.161 39.174 38.000 0.021 0.000 1.385 270 I HN 0.590 nan 8.210 nan 0.000 0.594 271 V N 2.616 122.553 119.914 0.039 0.000 0.484 271 V HA -0.489 3.631 4.120 -0.000 0.000 0.092 271 V C 0.912 177.042 176.094 0.059 0.000 2.409 271 V CA 2.783 65.111 62.300 0.048 0.000 3.648 271 V CB -0.991 30.857 31.823 0.042 0.000 0.935 271 V HN 1.097 nan 8.190 nan 0.000 0.977 272 K N -0.875 119.565 120.400 0.066 0.000 5.422 272 K HA -0.084 4.236 4.320 -0.000 0.000 0.441 272 K C -0.914 175.725 176.600 0.066 0.000 1.132 272 K CA 0.848 57.180 56.287 0.074 0.000 1.304 272 K CB -1.019 31.516 32.500 0.058 0.000 1.710 272 K HN 1.050 nan 8.250 nan 0.000 0.405 273 V N 1.217 121.180 119.914 0.080 0.000 3.046 273 V HA 0.978 5.098 4.120 -0.000 0.000 0.316 273 V C 0.108 176.079 176.094 -0.206 0.000 1.104 273 V CA -0.430 61.865 62.300 -0.008 0.000 1.006 273 V CB 2.074 33.908 31.823 0.019 0.000 1.058 273 V HN 0.758 nan 8.190 nan 0.000 0.440 274 A N 1.381 123.920 122.820 -0.469 0.000 2.572 274 A HA 0.991 5.311 4.320 -0.000 0.000 0.295 274 A C -0.793 176.364 177.584 -0.713 0.000 1.072 274 A CA -0.229 51.126 52.037 -1.136 0.000 0.691 274 A CB 1.913 20.542 19.000 -0.619 0.000 1.291 274 A HN 1.676 nan 8.150 nan 0.000 0.404 275 A N 0.595 122.956 122.820 -0.765 0.000 2.371 275 A HA 0.811 5.131 4.320 -0.000 0.000 0.311 275 A C -0.467 177.109 177.584 -0.013 0.000 1.068 275 A CA -0.142 51.776 52.037 -0.197 0.000 0.744 275 A CB 1.237 20.219 19.000 -0.030 0.000 1.239 275 A HN 2.240 nan 8.150 nan 0.000 0.435 276 V N -0.353 119.591 119.914 0.050 0.000 2.876 276 V HA 0.622 4.742 4.120 -0.000 0.000 0.312 276 V C -0.405 175.765 176.094 0.127 0.000 1.085 276 V CA -1.268 61.105 62.300 0.122 0.000 0.945 276 V CB 1.419 33.349 31.823 0.178 0.000 1.017 276 V HN 0.861 nan 8.190 nan 0.000 0.428 277 K N 2.311 122.791 120.400 0.133 0.000 2.319 277 K HA 0.605 4.925 4.320 -0.000 0.000 0.265 277 K C 0.444 177.090 176.600 0.077 0.000 1.000 277 K CA 0.316 56.662 56.287 0.099 0.000 0.943 277 K CB 0.855 33.413 32.500 0.096 0.000 0.950 277 K HN 1.097 nan 8.250 nan 0.000 0.485 278 A N 4.056 126.877 122.820 0.003 0.000 2.477 278 A HA 0.207 4.527 4.320 -0.000 0.000 0.246 278 A C -1.942 175.577 177.584 -0.108 0.000 1.078 278 A CA -1.173 50.799 52.037 -0.109 0.000 0.770 278 A CB -0.404 18.543 19.000 -0.087 0.000 1.011 278 A HN 0.473 nan 8.150 nan 0.000 0.494 279 P HA 0.372 nan 4.420 nan 0.000 0.271 279 P C 0.743 178.027 177.300 -0.028 0.000 1.233 279 P CA 1.295 64.311 63.100 -0.141 0.000 0.789 279 P CB 0.355 31.849 31.700 -0.344 0.000 0.951 280 G N 0.444 109.289 108.800 0.076 0.000 2.698 280 G HA2 0.008 3.968 3.960 -0.000 0.000 0.233 280 G HA3 0.008 3.968 3.960 -0.000 0.000 0.233 280 G C -0.952 174.127 174.900 0.299 0.000 1.352 280 G CA 0.018 45.227 45.100 0.181 0.000 0.879 280 G HN 0.790 nan 8.290 nan 0.000 0.567 281 F N -2.184 117.776 119.950 0.017 0.000 2.654 281 F HA 0.753 5.280 4.527 0.000 0.000 0.308 281 F C 1.086 176.897 175.800 0.019 0.000 1.108 281 F CA 0.301 58.312 58.000 0.018 0.000 0.957 281 F CB 0.970 39.987 39.000 0.028 0.000 1.309 281 F HN 2.446 nan 8.300 nan 0.000 0.446 282 G N 1.925 110.633 108.800 -0.153 0.000 2.686 282 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.329 282 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.329 282 G C 0.594 175.369 174.900 -0.208 0.000 1.187 282 G CA 1.050 46.000 45.100 -0.251 0.000 0.965 282 G HN 0.823 nan 8.290 nan 0.000 0.549 283 D N 0.921 121.157 120.400 -0.272 0.000 2.277 283 D HA 0.061 4.701 4.640 -0.000 0.000 0.209 283 D C 2.631 178.853 176.300 -0.129 0.000 0.970 283 D CA 1.200 55.102 54.000 -0.163 0.000 0.874 283 D CB -0.123 40.592 40.800 -0.142 0.000 0.982 283 D HN 0.673 nan 8.370 nan 0.000 0.504 284 R N 0.608 121.015 120.500 -0.155 0.000 2.276 284 R HA 0.138 4.478 4.340 -0.000 0.000 0.203 284 R C 2.033 178.299 176.300 -0.057 0.000 1.017 284 R CA 0.328 56.379 56.100 -0.081 0.000 1.010 284 R CB -0.148 30.126 30.300 -0.042 0.000 0.900 284 R HN -0.025 nan 8.270 nan 0.000 0.469 285 R N 2.075 122.536 120.500 -0.064 0.000 2.070 285 R HA -0.089 4.251 4.340 -0.000 0.000 0.233 285 R C 1.373 177.641 176.300 -0.053 0.000 1.137 285 R CA 1.774 57.852 56.100 -0.038 0.000 0.945 285 R CB -0.069 30.221 30.300 -0.016 0.000 0.845 285 R HN 0.241 nan 8.270 nan 0.000 0.430 286 K N -0.296 120.072 120.400 -0.053 0.000 2.360 286 K HA -0.080 4.240 4.320 -0.000 0.000 0.201 286 K C 1.827 178.399 176.600 -0.046 0.000 1.046 286 K CA 1.039 57.298 56.287 -0.047 0.000 0.945 286 K CB 0.071 32.546 32.500 -0.042 0.000 0.750 286 K HN 0.260 nan 8.250 nan 0.000 0.464 287 A N 0.986 123.776 122.820 -0.049 0.000 1.887 287 A HA 0.022 4.342 4.320 -0.000 0.000 0.212 287 A C 2.028 179.581 177.584 -0.052 0.000 1.198 287 A CA 0.434 52.445 52.037 -0.044 0.000 0.628 287 A CB -0.154 18.821 19.000 -0.040 0.000 0.847 287 A HN 0.072 nan 8.150 nan 0.000 0.449 288 M N -0.375 119.189 119.600 -0.060 0.000 2.346 288 M HA -0.087 4.393 4.480 -0.000 0.000 0.263 288 M C 2.070 178.301 176.300 -0.116 0.000 1.064 288 M CA 1.089 56.340 55.300 -0.081 0.000 1.083 288 M CB -0.623 31.926 32.600 -0.085 0.000 1.399 288 M HN 0.523 nan 8.290 nan 0.000 0.435 289 L N -0.258 120.901 121.223 -0.106 0.000 2.044 289 L HA -0.231 4.108 4.340 -0.000 0.000 0.205 289 L C 2.484 179.310 176.870 -0.072 0.000 1.075 289 L CA 1.285 56.059 54.840 -0.109 0.000 0.747 289 L CB -0.262 41.746 42.059 -0.084 0.000 0.903 289 L HN 0.222 nan 8.230 nan 0.000 0.435 290 Q N 0.274 120.043 119.800 -0.052 0.000 2.234 290 Q HA -0.238 4.102 4.340 -0.000 0.000 0.206 290 Q C 1.577 177.559 176.000 -0.030 0.000 0.980 290 Q CA 1.910 57.692 55.803 -0.035 0.000 0.869 290 Q CB -0.242 28.479 28.738 -0.029 0.000 0.912 290 Q HN 0.524 nan 8.270 nan 0.000 0.436 291 D N -0.058 120.320 120.400 -0.037 0.000 2.077 291 D HA -0.164 4.476 4.640 -0.000 0.000 0.193 291 D C 1.905 178.194 176.300 -0.018 0.000 0.989 291 D CA 1.843 55.827 54.000 -0.026 0.000 0.831 291 D CB -0.430 40.352 40.800 -0.029 0.000 0.979 291 D HN 0.438 nan 8.370 nan 0.000 0.449 292 I N 1.349 121.901 120.570 -0.029 0.000 2.399 292 I HA -0.257 3.913 4.170 -0.000 0.000 0.254 292 I C 2.525 178.643 176.117 0.001 0.000 1.146 292 I CA 1.074 62.369 61.300 -0.007 0.000 1.412 292 I CB -0.508 37.478 38.000 -0.025 0.000 1.076 292 I HN -0.104 nan 8.210 nan 0.000 0.432 293 A N 1.609 124.423 122.820 -0.010 0.000 1.898 293 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 293 A C 2.519 180.105 177.584 0.004 0.000 1.181 293 A CA 2.334 54.370 52.037 -0.001 0.000 0.620 293 A CB -1.123 17.872 19.000 -0.008 0.000 0.819 293 A HN 0.533 nan 8.150 nan 0.000 0.442 294 T N -1.372 113.182 114.554 -0.000 0.000 2.857 294 T HA -0.027 4.323 4.350 -0.000 0.000 0.266 294 T C 1.854 176.558 174.700 0.006 0.000 1.048 294 T CA 1.051 63.152 62.100 0.002 0.000 1.139 294 T CB -0.409 68.458 68.868 -0.002 0.000 0.874 294 T HN 0.191 nan 8.240 nan 0.000 0.455 295 L N 2.579 123.806 121.223 0.007 0.000 2.083 295 L HA -0.058 4.282 4.340 -0.000 0.000 0.209 295 L C 2.301 179.180 176.870 0.014 0.000 1.083 295 L CA 2.521 57.368 54.840 0.012 0.000 0.752 295 L CB -1.267 40.803 42.059 0.018 0.000 0.899 295 L HN 0.603 nan 8.230 nan 0.000 0.433 296 T N -4.535 110.030 114.554 0.018 0.000 3.069 296 T HA 0.274 4.624 4.350 -0.000 0.000 0.252 296 T C 1.245 175.959 174.700 0.024 0.000 1.053 296 T CA 0.431 62.543 62.100 0.020 0.000 0.964 296 T CB 0.228 69.113 68.868 0.029 0.000 1.005 296 T HN 0.519 nan 8.240 nan 0.000 0.532 297 G N 0.629 109.442 108.800 0.021 0.000 2.160 297 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.244 297 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.244 297 G C 0.419 175.338 174.900 0.032 0.000 1.022 297 G CA -0.135 44.979 45.100 0.023 0.000 0.741 297 G HN 1.000 nan 8.290 nan 0.000 0.508 298 G N -1.407 107.411 108.800 0.031 0.000 2.531 298 G HA2 0.763 4.723 3.960 -0.000 0.000 0.281 298 G HA3 0.763 4.723 3.960 -0.000 0.000 0.281 298 G C -0.209 174.702 174.900 0.019 0.000 1.382 298 G CA 0.339 45.459 45.100 0.033 0.000 1.045 298 G HN 0.820 nan 8.290 nan 0.000 0.533 299 T N -0.594 113.969 114.554 0.014 0.000 2.881 299 T HA 0.406 4.756 4.350 -0.000 0.000 0.290 299 T C -0.292 174.409 174.700 0.002 0.000 1.000 299 T CA -0.381 61.722 62.100 0.006 0.000 0.978 299 T CB 1.959 70.830 68.868 0.004 0.000 0.997 299 T HN 0.456 nan 8.240 nan 0.000 0.443 300 V N 4.024 123.936 119.914 -0.004 0.000 2.872 300 V HA 0.338 4.458 4.120 -0.000 0.000 0.307 300 V C -0.270 175.821 176.094 -0.006 0.000 1.072 300 V CA -0.010 62.286 62.300 -0.008 0.000 1.148 300 V CB 0.271 32.086 31.823 -0.014 0.000 0.954 300 V HN 0.792 nan 8.190 nan 0.000 0.490 301 I N 6.650 127.216 120.570 -0.006 0.000 2.502 301 I HA 0.319 4.489 4.170 -0.000 0.000 0.276 301 I C 0.019 176.132 176.117 -0.006 0.000 1.057 301 I CA -0.124 61.173 61.300 -0.005 0.000 1.163 301 I CB 1.220 39.218 38.000 -0.003 0.000 1.288 301 I HN 0.711 nan 8.210 nan 0.000 0.479 302 S N 2.617 118.313 115.700 -0.007 0.000 2.593 302 S HA 0.440 4.910 4.470 -0.000 0.000 0.297 302 S C 0.556 175.152 174.600 -0.006 0.000 1.112 302 S CA -0.773 57.422 58.200 -0.008 0.000 1.043 302 S CB 2.256 65.450 63.200 -0.011 0.000 1.054 302 S HN 0.555 nan 8.310 nan 0.000 0.516 303 E N 0.859 121.056 120.200 -0.006 0.000 2.216 303 E HA -0.091 4.259 4.350 -0.000 0.000 0.192 303 E C 1.489 178.085 176.600 -0.006 0.000 0.988 303 E CA 0.785 57.182 56.400 -0.005 0.000 0.834 303 E CB -0.070 29.628 29.700 -0.003 0.000 0.772 303 E HN 0.790 nan 8.360 nan 0.000 0.479 304 E N 0.726 120.922 120.200 -0.008 0.000 2.070 304 E HA -0.211 4.139 4.350 -0.000 0.000 0.197 304 E C 1.919 178.515 176.600 -0.007 0.000 1.004 304 E CA 1.196 57.591 56.400 -0.008 0.000 0.805 304 E CB -0.110 29.583 29.700 -0.011 0.000 0.744 304 E HN 0.326 nan 8.360 nan 0.000 0.451 305 I N -0.942 119.624 120.570 -0.007 0.000 3.030 305 I HA 0.064 4.234 4.170 -0.000 0.000 0.270 305 I C 1.264 177.378 176.117 -0.005 0.000 1.211 305 I CA 0.545 61.841 61.300 -0.006 0.000 1.479 305 I CB 0.232 38.228 38.000 -0.006 0.000 1.105 305 I HN 0.272 nan 8.210 nan 0.000 0.447 306 G N 1.620 110.417 108.800 -0.005 0.000 2.173 306 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.174 306 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.174 306 G C 0.055 174.953 174.900 -0.004 0.000 1.025 306 G CA -0.575 44.523 45.100 -0.004 0.000 0.706 306 G HN 0.184 nan 8.290 nan 0.000 0.499 307 M N 1.239 120.837 119.600 -0.004 0.000 2.105 307 M HA 0.385 4.865 4.480 -0.000 0.000 0.350 307 M C 0.464 176.762 176.300 -0.003 0.000 1.308 307 M CA 0.142 55.440 55.300 -0.004 0.000 1.108 307 M CB 0.777 33.374 32.600 -0.005 0.000 1.622 307 M HN 0.195 nan 8.290 nan 0.000 0.468 308 E N 2.502 122.700 120.200 -0.003 0.000 2.313 308 E HA 0.189 4.539 4.350 -0.000 0.000 0.272 308 E C 0.561 177.159 176.600 -0.003 0.000 1.038 308 E CA -0.384 56.014 56.400 -0.002 0.000 0.863 308 E CB 1.374 31.073 29.700 -0.002 0.000 1.060 308 E HN 0.694 nan 8.360 nan 0.000 0.402 309 L N 2.002 123.224 121.223 -0.002 0.000 2.349 309 L HA -0.215 4.125 4.340 -0.000 0.000 0.220 309 L C 1.662 178.529 176.870 -0.006 0.000 1.130 309 L CA 1.045 55.884 54.840 -0.002 0.000 0.791 309 L CB -0.507 41.553 42.059 0.002 0.000 0.918 309 L HN 0.532 nan 8.230 nan 0.000 0.444 310 E N 0.707 120.904 120.200 -0.005 0.000 2.072 310 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 310 E C 0.921 177.514 176.600 -0.011 0.000 0.985 310 E CA 0.841 57.236 56.400 -0.008 0.000 0.801 310 E CB -0.035 29.661 29.700 -0.006 0.000 0.750 310 E HN 0.337 nan 8.360 nan 0.000 0.452 311 K N 1.032 121.426 120.400 -0.010 0.000 3.000 311 K HA 0.313 4.633 4.320 -0.000 0.000 0.265 311 K C -0.745 175.847 176.600 -0.013 0.000 1.260 311 K CA -0.189 56.091 56.287 -0.011 0.000 1.209 311 K CB 0.184 32.679 32.500 -0.008 0.000 1.484 311 K HN 0.015 nan 8.250 nan 0.000 0.283 312 A N 0.854 123.663 122.820 -0.018 0.000 2.386 312 A HA 0.626 4.946 4.320 -0.000 0.000 0.311 312 A C -0.198 177.366 177.584 -0.033 0.000 1.068 312 A CA -0.568 51.456 52.037 -0.022 0.000 0.743 312 A CB 1.351 20.339 19.000 -0.020 0.000 1.258 312 A HN 0.242 nan 8.150 nan 0.000 0.429 313 T N 0.948 115.481 114.554 -0.036 0.000 2.724 313 T HA 0.449 4.799 4.350 -0.000 0.000 0.274 313 T C 1.258 175.918 174.700 -0.066 0.000 0.984 313 T CA -0.629 61.441 62.100 -0.050 0.000 1.024 313 T CB 0.440 69.287 68.868 -0.034 0.000 1.320 313 T HN 0.347 nan 8.240 nan 0.000 0.555 314 L N 0.453 121.629 121.223 -0.080 0.000 2.093 314 L HA -0.014 4.326 4.340 -0.000 0.000 0.208 314 L C 2.844 179.708 176.870 -0.009 0.000 1.085 314 L CA 1.439 56.226 54.840 -0.088 0.000 0.755 314 L CB -0.366 41.639 42.059 -0.090 0.000 0.904 314 L HN 0.759 nan 8.230 nan 0.000 0.435 315 E N 0.232 120.431 120.200 -0.002 0.000 2.077 315 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 315 E C 1.333 177.942 176.600 0.016 0.000 0.989 315 E CA 1.387 57.796 56.400 0.015 0.000 0.800 315 E CB 0.087 29.792 29.700 0.008 0.000 0.746 315 E HN 0.433 nan 8.360 nan 0.000 0.452 316 D N 0.143 120.544 120.400 0.003 0.000 2.378 316 D HA -0.042 4.598 4.640 -0.000 0.000 0.222 316 D C 0.029 176.337 176.300 0.014 0.000 0.980 316 D CA 0.404 54.406 54.000 0.004 0.000 0.907 316 D CB 0.077 40.873 40.800 -0.006 0.000 0.899 316 D HN 0.082 nan 8.370 nan 0.000 0.527 317 L N -0.160 121.077 121.223 0.024 0.000 2.334 317 L HA 0.521 4.861 4.340 -0.000 0.000 0.275 317 L C 0.736 177.672 176.870 0.110 0.000 1.036 317 L CA -0.522 54.353 54.840 0.058 0.000 0.807 317 L CB 1.891 43.967 42.059 0.028 0.000 1.231 317 L HN -0.155 nan 8.230 nan 0.000 0.438 318 G N 1.723 110.596 108.800 0.122 0.000 2.437 318 G HA2 0.579 4.539 3.960 -0.000 0.000 0.319 318 G HA3 0.579 4.539 3.960 -0.000 0.000 0.319 318 G C -1.167 173.810 174.900 0.127 0.000 1.158 318 G CA -0.358 44.805 45.100 0.105 0.000 0.899 318 G HN 0.517 nan 8.290 nan 0.000 0.502 319 Q N -0.435 119.399 119.800 0.058 0.000 2.304 319 Q HA 0.589 4.929 4.340 -0.000 0.000 0.270 319 Q C -0.292 175.679 176.000 -0.048 0.000 1.035 319 Q CA -0.676 55.107 55.803 -0.032 0.000 0.781 319 Q CB 2.360 31.063 28.738 -0.058 0.000 1.261 319 Q HN 0.716 nan 8.270 nan 0.000 0.444 320 A N 1.859 124.631 122.820 -0.079 0.000 2.793 320 A HA 0.591 4.911 4.320 -0.000 0.000 0.236 320 A C -0.087 177.447 177.584 -0.084 0.000 1.242 320 A CA -0.364 51.638 52.037 -0.057 0.000 0.885 320 A CB 1.179 20.162 19.000 -0.029 0.000 1.436 320 A HN 0.677 nan 8.150 nan 0.000 0.483 321 K N -1.369 118.995 120.400 -0.061 0.000 2.481 321 K HA 0.337 4.657 4.320 -0.000 0.000 0.210 321 K C -0.061 176.508 176.600 -0.052 0.000 1.161 321 K CA 0.171 56.420 56.287 -0.063 0.000 1.023 321 K CB 0.667 33.138 32.500 -0.047 0.000 0.971 321 K HN 0.558 nan 8.250 nan 0.000 0.577 322 R N -0.325 120.150 120.500 -0.042 0.000 3.329 322 R HA 0.102 4.442 4.340 -0.000 0.000 0.251 322 R C -1.834 174.451 176.300 -0.026 0.000 1.023 322 R CA -0.340 55.740 56.100 -0.032 0.000 1.009 322 R CB 1.600 31.884 30.300 -0.026 0.000 1.250 322 R HN -0.054 nan 8.270 nan 0.000 0.518 323 V N 0.697 120.597 119.914 -0.023 0.000 2.570 323 V HA 0.334 4.454 4.120 -0.000 0.000 0.271 323 V C -0.090 175.989 176.094 -0.024 0.000 1.005 323 V CA -0.880 61.406 62.300 -0.023 0.000 1.111 323 V CB 1.060 32.875 31.823 -0.014 0.000 1.259 323 V HN 0.368 nan 8.190 nan 0.000 0.571 324 V N 3.171 123.071 119.914 -0.023 0.000 2.644 324 V HA 0.126 4.246 4.120 -0.000 0.000 0.305 324 V C 0.271 176.348 176.094 -0.028 0.000 1.053 324 V CA 1.082 63.375 62.300 -0.013 0.000 1.186 324 V CB 0.570 32.387 31.823 -0.011 0.000 0.895 324 V HN 0.699 nan 8.190 nan 0.000 0.490 325 I N 5.373 125.951 120.570 0.012 0.000 2.439 325 I HA 0.397 4.567 4.170 -0.000 0.000 0.283 325 I C -0.087 176.082 176.117 0.087 0.000 1.023 325 I CA -0.526 60.782 61.300 0.013 0.000 1.100 325 I CB 1.574 39.603 38.000 0.048 0.000 1.238 325 I HN 0.566 nan 8.210 nan 0.000 0.445 326 N N 4.749 123.438 118.700 -0.019 0.000 2.418 326 N HA 0.245 4.985 4.740 -0.000 0.000 0.283 326 N C 1.087 176.393 175.510 -0.341 0.000 1.267 326 N CA -0.685 52.349 53.050 -0.027 0.000 0.975 326 N CB 0.674 39.139 38.487 -0.037 0.000 1.167 326 N HN 0.439 nan 8.380 nan 0.000 0.581 327 K N -0.035 120.129 120.400 -0.392 0.000 2.059 327 K HA -0.199 4.121 4.320 -0.000 0.000 0.212 327 K C -0.586 175.700 176.600 -0.524 0.000 1.050 327 K CA 2.130 57.985 56.287 -0.720 0.000 0.927 327 K CB -0.180 32.173 32.500 -0.244 0.000 0.714 327 K HN 0.748 nan 8.250 nan 0.000 0.447 328 D N -1.175 119.060 120.400 -0.275 0.000 2.837 328 D HA 0.097 4.737 4.640 -0.000 0.000 0.340 328 D C -1.111 175.098 176.300 -0.153 0.000 1.451 328 D CA -0.398 53.492 54.000 -0.182 0.000 0.798 328 D CB 0.834 41.571 40.800 -0.105 0.000 1.169 328 D HN -0.134 nan 8.370 nan 0.000 0.449 329 T N 0.081 114.523 114.554 -0.186 0.000 3.135 329 T HA 0.334 4.684 4.350 -0.000 0.000 0.357 329 T C -0.409 174.150 174.700 -0.235 0.000 1.112 329 T CA -0.447 61.542 62.100 -0.185 0.000 1.290 329 T CB 1.141 69.943 68.868 -0.111 0.000 1.018 329 T HN -0.055 nan 8.240 nan 0.000 0.527 330 T N 2.527 116.837 114.554 -0.406 0.000 2.909 330 T HA 0.617 4.967 4.350 -0.000 0.000 0.289 330 T C 0.317 174.742 174.700 -0.458 0.000 1.005 330 T CA -0.393 61.430 62.100 -0.463 0.000 1.084 330 T CB 1.291 69.735 68.868 -0.707 0.000 0.975 330 T HN 0.546 nan 8.240 nan 0.000 0.509 331 T N 2.674 117.073 114.554 -0.258 0.000 3.187 331 T HA 0.432 4.782 4.350 -0.000 0.000 0.328 331 T C -0.696 173.961 174.700 -0.071 0.000 0.951 331 T CA -0.696 61.310 62.100 -0.157 0.000 1.049 331 T CB -0.213 68.591 68.868 -0.107 0.000 1.015 331 T HN 0.301 nan 8.240 nan 0.000 0.461 332 I N 5.566 126.124 120.570 -0.020 0.000 2.533 332 I HA 0.361 4.531 4.170 -0.000 0.000 0.284 332 I C 0.222 176.340 176.117 0.002 0.000 1.109 332 I CA 0.158 61.467 61.300 0.016 0.000 1.412 332 I CB 0.623 38.663 38.000 0.068 0.000 1.396 332 I HN 0.612 nan 8.210 nan 0.000 0.543 333 I N 6.022 126.587 120.570 -0.008 0.000 2.382 333 I HA 0.243 4.413 4.170 -0.000 0.000 0.286 333 I C -0.542 175.567 176.117 -0.014 0.000 1.002 333 I CA -0.661 60.632 61.300 -0.012 0.000 1.135 333 I CB 1.297 39.286 38.000 -0.018 0.000 1.288 333 I HN 0.555 nan 8.210 nan 0.000 0.448 334 D N 5.065 125.459 120.400 -0.010 0.000 3.729 334 D HA -0.112 4.528 4.640 -0.000 0.000 0.242 334 D C -0.023 176.267 176.300 -0.016 0.000 1.091 334 D CA 0.917 54.909 54.000 -0.014 0.000 1.096 334 D CB -0.171 40.617 40.800 -0.019 0.000 0.901 334 D HN 0.786 nan 8.370 nan 0.000 0.416 335 G N 0.583 109.379 108.800 -0.008 0.000 2.504 335 G HA2 0.468 4.428 3.960 -0.000 0.000 0.288 335 G HA3 0.468 4.428 3.960 -0.000 0.000 0.288 335 G C 1.297 176.192 174.900 -0.009 0.000 1.182 335 G CA -0.207 44.888 45.100 -0.007 0.000 0.894 335 G HN 0.339 nan 8.290 nan 0.000 0.521 336 V N 0.967 120.876 119.914 -0.008 0.000 3.235 336 V HA 0.123 4.243 4.120 -0.000 0.000 0.259 336 V C 2.049 178.145 176.094 0.003 0.000 1.133 336 V CA 0.556 62.853 62.300 -0.005 0.000 1.128 336 V CB -0.768 31.052 31.823 -0.004 0.000 0.757 336 V HN 0.853 nan 8.190 nan 0.000 0.469 337 G N 1.844 110.647 108.800 0.006 0.000 2.093 337 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.250 337 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.250 337 G C 0.126 175.029 174.900 0.005 0.000 1.056 337 G CA 0.005 45.110 45.100 0.008 0.000 0.916 337 G HN 0.319 nan 8.290 nan 0.000 0.421 338 E N 2.227 122.430 120.200 0.005 0.000 2.481 338 E HA -0.040 4.310 4.350 -0.000 0.000 0.263 338 E C 1.470 178.071 176.600 0.002 0.000 0.992 338 E CA 0.178 56.580 56.400 0.003 0.000 0.938 338 E CB 0.774 30.477 29.700 0.004 0.000 0.933 338 E HN 0.739 nan 8.360 nan 0.000 0.453 339 E N 1.838 122.038 120.200 0.001 0.000 2.118 339 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 339 E C 1.764 178.364 176.600 0.000 0.000 0.992 339 E CA 1.402 57.803 56.400 0.000 0.000 0.804 339 E CB -0.018 29.681 29.700 -0.000 0.000 0.741 339 E HN 0.587 nan 8.360 nan 0.000 0.458 340 A N 1.614 124.434 122.820 0.000 0.000 1.858 340 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 340 A C 2.296 179.880 177.584 -0.000 0.000 1.190 340 A CA 1.527 53.564 52.037 0.000 0.000 0.617 340 A CB -0.606 18.394 19.000 0.000 0.000 0.827 340 A HN 0.274 nan 8.150 nan 0.000 0.443 341 A N -1.359 121.461 122.820 0.001 0.000 2.265 341 A HA 0.396 4.716 4.320 -0.000 0.000 0.213 341 A C 1.519 179.103 177.584 -0.000 0.000 1.255 341 A CA 0.592 52.629 52.037 0.000 0.000 0.862 341 A CB -0.556 18.445 19.000 0.001 0.000 0.852 341 A HN 0.512 nan 8.150 nan 0.000 0.484 342 I N -2.584 117.986 120.570 -0.000 0.000 3.443 342 I HA -0.058 4.112 4.170 -0.000 0.000 0.277 342 I C 2.309 178.425 176.117 -0.002 0.000 1.169 342 I CA 0.332 61.631 61.300 -0.001 0.000 1.419 342 I CB -0.089 37.911 38.000 0.001 0.000 1.331 342 I HN 0.195 nan 8.210 nan 0.000 0.458 343 Q N 1.057 120.856 119.800 -0.002 0.000 2.170 343 Q HA -0.107 4.233 4.340 -0.000 0.000 0.203 343 Q C 2.170 178.168 176.000 -0.003 0.000 0.976 343 Q CA 1.835 57.636 55.803 -0.002 0.000 0.858 343 Q CB -0.359 28.378 28.738 -0.002 0.000 0.907 343 Q HN 0.583 nan 8.270 nan 0.000 0.433 344 G N 0.165 108.963 108.800 -0.003 0.000 2.421 344 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.217 344 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.217 344 G C 1.482 176.379 174.900 -0.004 0.000 1.143 344 G CA 0.687 45.785 45.100 -0.003 0.000 0.784 344 G HN 0.148 nan 8.290 nan 0.000 0.541 345 R N 0.221 120.718 120.500 -0.004 0.000 2.075 345 R HA 0.114 4.454 4.340 -0.000 0.000 0.226 345 R C 2.473 178.769 176.300 -0.007 0.000 1.114 345 R CA 1.151 57.248 56.100 -0.006 0.000 0.972 345 R CB -0.954 29.343 30.300 -0.006 0.000 0.869 345 R HN 0.121 nan 8.270 nan 0.000 0.437 346 V N 1.211 121.121 119.914 -0.006 0.000 2.324 346 V HA -0.274 3.846 4.120 -0.000 0.000 0.250 346 V C 2.316 178.406 176.094 -0.007 0.000 1.060 346 V CA 2.097 64.393 62.300 -0.006 0.000 1.042 346 V CB -0.920 30.900 31.823 -0.005 0.000 0.650 346 V HN 0.576 nan 8.190 nan 0.000 0.450 347 A N -1.280 121.536 122.820 -0.006 0.000 1.940 347 A HA -0.300 4.020 4.320 -0.000 0.000 0.219 347 A C 2.147 179.727 177.584 -0.007 0.000 1.176 347 A CA 2.006 54.040 52.037 -0.006 0.000 0.631 347 A CB -0.442 18.555 19.000 -0.005 0.000 0.814 347 A HN 0.652 nan 8.150 nan 0.000 0.446 348 Q N -0.808 118.988 119.800 -0.007 0.000 2.119 348 Q HA -0.049 4.291 4.340 -0.000 0.000 0.201 348 Q C 2.023 178.017 176.000 -0.010 0.000 0.972 348 Q CA 1.363 57.161 55.803 -0.008 0.000 0.847 348 Q CB -0.214 28.518 28.738 -0.009 0.000 0.903 348 Q HN 0.764 nan 8.270 nan 0.000 0.433 349 I N -0.079 120.485 120.570 -0.011 0.000 2.277 349 I HA -0.203 3.967 4.170 -0.000 0.000 0.243 349 I C 2.432 178.541 176.117 -0.013 0.000 1.094 349 I CA 0.761 62.053 61.300 -0.014 0.000 1.393 349 I CB -0.164 37.827 38.000 -0.015 0.000 1.078 349 I HN 0.051 nan 8.210 nan 0.000 0.417 350 R N 0.500 120.993 120.500 -0.011 0.000 2.241 350 R HA -0.224 4.116 4.340 -0.000 0.000 0.224 350 R C 2.181 178.476 176.300 -0.008 0.000 1.101 350 R CA 1.134 57.228 56.100 -0.010 0.000 0.995 350 R CB -0.000 30.295 30.300 -0.008 0.000 0.870 350 R HN 0.286 nan 8.270 nan 0.000 0.463 351 Q N 0.058 119.853 119.800 -0.008 0.000 2.123 351 Q HA -0.081 4.259 4.340 -0.000 0.000 0.196 351 Q C 1.629 177.624 176.000 -0.008 0.000 0.958 351 Q CA 1.385 57.184 55.803 -0.007 0.000 0.841 351 Q CB 0.268 29.002 28.738 -0.006 0.000 0.915 351 Q HN 0.343 nan 8.270 nan 0.000 0.455 352 Q N -0.292 119.502 119.800 -0.010 0.000 2.291 352 Q HA -0.091 4.248 4.340 -0.000 0.000 0.206 352 Q C 1.859 177.853 176.000 -0.010 0.000 0.976 352 Q CA 1.079 56.876 55.803 -0.010 0.000 0.875 352 Q CB -0.009 28.721 28.738 -0.013 0.000 0.927 352 Q HN 0.469 nan 8.270 nan 0.000 0.450 353 I N 1.038 121.601 120.570 -0.011 0.000 2.179 353 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 353 I C 2.096 178.209 176.117 -0.007 0.000 1.088 353 I CA 1.093 62.387 61.300 -0.011 0.000 1.357 353 I CB -0.372 37.620 38.000 -0.012 0.000 1.051 353 I HN 0.228 nan 8.210 nan 0.000 0.409 354 E N 1.040 121.237 120.200 -0.005 0.000 2.118 354 E HA -0.250 4.100 4.350 -0.000 0.000 0.195 354 E C 1.820 178.419 176.600 -0.002 0.000 0.992 354 E CA 1.382 57.781 56.400 -0.003 0.000 0.804 354 E CB -0.323 29.376 29.700 -0.003 0.000 0.741 354 E HN 0.645 nan 8.360 nan 0.000 0.458 355 E N 0.903 121.102 120.200 -0.002 0.000 2.318 355 E HA 0.143 4.493 4.350 -0.000 0.000 0.193 355 E C 0.618 177.219 176.600 0.001 0.000 0.998 355 E CA 0.104 56.503 56.400 -0.001 0.000 0.859 355 E CB 0.167 29.865 29.700 -0.002 0.000 0.812 355 E HN 0.119 nan 8.360 nan 0.000 0.492 356 A N 1.193 124.013 122.820 0.001 0.000 2.603 356 A HA -0.071 4.249 4.320 -0.000 0.000 0.235 356 A C 1.114 178.705 177.584 0.010 0.000 1.035 356 A CA 0.543 52.583 52.037 0.005 0.000 0.755 356 A CB 0.232 19.233 19.000 0.001 0.000 0.954 356 A HN 0.098 nan 8.150 nan 0.000 0.511 357 T N 1.535 116.099 114.554 0.017 0.000 2.901 357 T HA 0.085 4.435 4.350 -0.000 0.000 0.252 357 T C 1.237 175.954 174.700 0.028 0.000 1.035 357 T CA 1.324 63.436 62.100 0.020 0.000 1.142 357 T CB -0.043 68.836 68.868 0.020 0.000 0.869 357 T HN 0.724 nan 8.240 nan 0.000 0.442 358 S N -0.042 115.683 115.700 0.042 0.000 2.722 358 S HA 0.214 4.684 4.470 -0.000 0.000 0.292 358 S C 0.602 175.240 174.600 0.063 0.000 1.135 358 S CA -0.778 57.458 58.200 0.061 0.000 1.003 358 S CB 0.880 64.135 63.200 0.092 0.000 1.067 358 S HN 0.127 nan 8.310 nan 0.000 0.546 359 D N 0.684 121.130 120.400 0.077 0.000 2.097 359 D HA -0.099 4.541 4.640 -0.000 0.000 0.197 359 D C 1.415 177.772 176.300 0.096 0.000 0.984 359 D CA 1.525 55.569 54.000 0.074 0.000 0.826 359 D CB -0.381 40.465 40.800 0.076 0.000 0.973 359 D HN 0.698 nan 8.370 nan 0.000 0.460 360 Y N 1.865 122.175 120.300 0.017 0.000 2.242 360 Y HA -0.177 4.373 4.550 -0.000 0.000 0.291 360 Y C 1.599 177.512 175.900 0.022 0.000 1.137 360 Y CA 1.546 59.661 58.100 0.024 0.000 1.181 360 Y CB -0.052 38.427 38.460 0.032 0.000 0.989 360 Y HN -0.165 nan 8.280 nan 0.000 0.527 361 D N -0.275 120.184 120.400 0.099 0.000 2.123 361 D HA -0.195 4.445 4.640 -0.000 0.000 0.196 361 D C 2.223 178.483 176.300 -0.065 0.000 0.992 361 D CA 1.452 55.459 54.000 0.012 0.000 0.833 361 D CB -0.297 40.533 40.800 0.050 0.000 0.954 361 D HN 0.264 nan 8.370 nan 0.000 0.455 362 R N 0.640 121.115 120.500 -0.041 0.000 2.070 362 R HA -0.113 4.227 4.340 -0.000 0.000 0.233 362 R C 1.970 178.221 176.300 -0.082 0.000 1.137 362 R CA 1.302 57.375 56.100 -0.045 0.000 0.945 362 R CB -0.056 30.233 30.300 -0.018 0.000 0.845 362 R HN 0.250 nan 8.270 nan 0.000 0.430 363 E N 0.026 120.159 120.200 -0.111 0.000 2.160 363 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 363 E C 1.357 177.845 176.600 -0.187 0.000 0.991 363 E CA 0.877 57.199 56.400 -0.131 0.000 0.810 363 E CB 0.142 29.770 29.700 -0.120 0.000 0.742 363 E HN 0.130 nan 8.360 nan 0.000 0.466 364 K N 0.311 120.530 120.400 -0.302 0.000 2.476 364 K HA 0.094 4.414 4.320 -0.000 0.000 0.196 364 K C 1.470 177.986 176.600 -0.141 0.000 1.025 364 K CA 0.170 56.297 56.287 -0.266 0.000 1.138 364 K CB 0.431 32.674 32.500 -0.428 0.000 0.860 364 K HN 0.190 nan 8.250 nan 0.000 0.515 365 L N -0.474 120.685 121.223 -0.107 0.000 2.362 365 L HA 0.023 4.363 4.340 -0.000 0.000 0.204 365 L C 2.192 179.033 176.870 -0.049 0.000 1.060 365 L CA 0.387 55.189 54.840 -0.064 0.000 0.827 365 L CB 0.004 42.034 42.059 -0.049 0.000 1.027 365 L HN 0.073 nan 8.230 nan 0.000 0.474 366 Q N 0.083 119.852 119.800 -0.052 0.000 2.050 366 Q HA -0.243 4.097 4.340 -0.000 0.000 0.202 366 Q C 1.987 177.967 176.000 -0.033 0.000 0.980 366 Q CA 1.495 57.276 55.803 -0.037 0.000 0.840 366 Q CB -0.004 28.713 28.738 -0.035 0.000 0.898 366 Q HN 0.340 nan 8.270 nan 0.000 0.424 367 E N 0.316 120.489 120.200 -0.045 0.000 2.160 367 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 367 E C 1.937 178.526 176.600 -0.018 0.000 0.991 367 E CA 0.749 57.130 56.400 -0.031 0.000 0.810 367 E CB 0.052 29.727 29.700 -0.042 0.000 0.742 367 E HN 0.182 nan 8.360 nan 0.000 0.466 368 R N 0.512 120.997 120.500 -0.026 0.000 2.161 368 R HA -0.059 4.281 4.340 -0.000 0.000 0.213 368 R C 2.221 178.514 176.300 -0.011 0.000 1.055 368 R CA 0.882 56.972 56.100 -0.018 0.000 0.996 368 R CB 0.298 30.581 30.300 -0.028 0.000 0.901 368 R HN 0.121 nan 8.270 nan 0.000 0.456 369 V N -3.041 116.865 119.914 -0.013 0.000 2.825 369 V HA 0.236 4.356 4.120 -0.000 0.000 0.246 369 V C 2.134 178.226 176.094 -0.004 0.000 1.068 369 V CA 1.068 63.363 62.300 -0.008 0.000 1.088 369 V CB -0.294 31.522 31.823 -0.011 0.000 0.733 369 V HN 0.147 nan 8.190 nan 0.000 0.468 370 A N 0.264 123.081 122.820 -0.005 0.000 2.119 370 A HA -0.029 4.291 4.320 -0.000 0.000 0.217 370 A C 2.280 179.867 177.584 0.005 0.000 1.153 370 A CA 1.552 53.587 52.037 -0.002 0.000 0.692 370 A CB -0.430 18.567 19.000 -0.005 0.000 0.799 370 A HN 0.551 nan 8.150 nan 0.000 0.458 371 K N -1.194 119.212 120.400 0.011 0.000 2.103 371 K HA 0.027 4.347 4.320 -0.000 0.000 0.204 371 K C 1.771 178.385 176.600 0.024 0.000 1.052 371 K CA 1.104 57.406 56.287 0.025 0.000 0.945 371 K CB -0.143 32.381 32.500 0.040 0.000 0.722 371 K HN 0.403 nan 8.250 nan 0.000 0.443 372 L N -0.055 121.177 121.223 0.014 0.000 2.121 372 L HA 0.083 4.423 4.340 -0.000 0.000 0.200 372 L C 2.013 178.887 176.870 0.008 0.000 1.077 372 L CA 1.308 56.155 54.840 0.012 0.000 0.766 372 L CB -0.304 41.758 42.059 0.005 0.000 0.931 372 L HN 0.025 nan 8.230 nan 0.000 0.452 373 A N -1.006 121.816 122.820 0.003 0.000 2.119 373 A HA 0.150 4.470 4.320 -0.000 0.000 0.216 373 A C 1.768 179.352 177.584 0.001 0.000 1.152 373 A CA 0.854 52.892 52.037 0.001 0.000 0.708 373 A CB -0.981 18.018 19.000 -0.002 0.000 0.805 373 A HN 0.448 nan 8.150 nan 0.000 0.460 374 G N -0.218 108.583 108.800 0.001 0.000 3.562 374 G HA2 0.438 4.398 3.960 -0.000 0.000 0.279 374 G HA3 0.438 4.398 3.960 -0.000 0.000 0.279 374 G C 0.958 175.858 174.900 0.000 0.000 1.314 374 G CA 0.460 45.560 45.100 -0.000 0.000 1.189 374 G HN 0.878 nan 8.290 nan 0.000 0.562 375 G N -0.076 108.725 108.800 0.002 0.000 2.477 375 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.857 375 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.857 375 G C -0.132 174.768 174.900 0.000 0.000 1.399 375 G CA 0.615 45.716 45.100 0.002 0.000 0.897 375 G HN 0.929 nan 8.290 nan 0.000 0.509 376 V N 0.073 119.985 119.914 -0.003 0.000 2.638 376 V HA 0.660 4.780 4.120 -0.000 0.000 0.306 376 V C 0.608 176.696 176.094 -0.010 0.000 1.052 376 V CA -0.185 62.110 62.300 -0.008 0.000 0.885 376 V CB 1.446 33.264 31.823 -0.009 0.000 0.999 376 V HN 1.536 nan 8.190 nan 0.000 0.424 377 A N 4.262 127.074 122.820 -0.013 0.000 2.362 377 A HA 0.701 5.021 4.320 -0.000 0.000 0.276 377 A C -0.516 177.060 177.584 -0.015 0.000 1.153 377 A CA -0.197 51.832 52.037 -0.013 0.000 0.813 377 A CB 0.900 19.891 19.000 -0.014 0.000 1.081 377 A HN 0.843 nan 8.150 nan 0.000 0.507 378 V N 4.994 124.901 119.914 -0.013 0.000 2.638 378 V HA 0.560 4.680 4.120 -0.000 0.000 0.306 378 V C -0.723 175.365 176.094 -0.011 0.000 1.052 378 V CA -0.640 61.652 62.300 -0.013 0.000 0.885 378 V CB 1.694 33.509 31.823 -0.013 0.000 0.999 378 V HN 0.732 nan 8.190 nan 0.000 0.424 379 I N 4.210 124.774 120.570 -0.010 0.000 2.362 379 I HA 0.582 4.752 4.170 -0.000 0.000 0.289 379 I C -0.220 175.893 176.117 -0.007 0.000 0.994 379 I CA -0.786 60.509 61.300 -0.008 0.000 1.158 379 I CB 1.424 39.419 38.000 -0.007 0.000 1.315 379 I HN 0.355 nan 8.210 nan 0.000 0.451 380 K N 5.552 125.948 120.400 -0.007 0.000 2.248 380 K HA 0.468 4.788 4.320 -0.000 0.000 0.281 380 K C -0.615 175.982 176.600 -0.005 0.000 1.054 380 K CA -0.650 55.633 56.287 -0.006 0.000 0.903 380 K CB 2.186 34.682 32.500 -0.007 0.000 1.077 380 K HN 0.456 nan 8.250 nan 0.000 0.474 381 V N 2.501 122.413 119.914 -0.004 0.000 2.488 381 V HA 0.269 4.389 4.120 -0.000 0.000 0.277 381 V C 0.784 176.876 176.094 -0.003 0.000 1.046 381 V CA -0.607 61.691 62.300 -0.003 0.000 0.986 381 V CB 1.150 32.972 31.823 -0.002 0.000 0.989 381 V HN 0.901 nan 8.190 nan 0.000 0.475 382 G N 2.608 111.406 108.800 -0.003 0.000 2.420 382 G HA2 0.816 4.776 3.960 -0.000 0.000 0.331 382 G HA3 0.816 4.776 3.960 -0.000 0.000 0.331 382 G C -0.415 174.483 174.900 -0.003 0.000 1.168 382 G CA 0.161 45.259 45.100 -0.003 0.000 0.936 382 G HN 1.128 nan 8.290 nan 0.000 0.479 383 A N 0.371 123.190 122.820 -0.003 0.000 3.065 383 A HA 0.902 5.222 4.320 -0.000 0.000 0.293 383 A C 0.905 178.487 177.584 -0.003 0.000 1.213 383 A CA 0.546 52.581 52.037 -0.003 0.000 0.667 383 A CB 0.365 19.363 19.000 -0.003 0.000 1.412 383 A HN 1.666 nan 8.150 nan 0.000 0.601 384 A N -1.159 121.659 122.820 -0.003 0.000 1.938 384 A HA 0.512 4.832 4.320 -0.000 0.000 0.207 384 A C 1.071 178.654 177.584 -0.003 0.000 1.292 384 A CA 1.951 53.986 52.037 -0.003 0.000 0.700 384 A CB -0.544 18.454 19.000 -0.003 0.000 0.947 384 A HN 1.588 nan 8.150 nan 0.000 0.476 385 T N -3.245 111.308 114.554 -0.003 0.000 2.924 385 T HA 0.480 4.830 4.350 -0.000 0.000 0.291 385 T C 0.329 175.028 174.700 -0.003 0.000 1.045 385 T CA -0.207 61.891 62.100 -0.003 0.000 1.015 385 T CB 2.040 70.906 68.868 -0.003 0.000 1.103 385 T HN 0.230 nan 8.240 nan 0.000 0.496 386 E N 0.053 120.251 120.200 -0.003 0.000 2.265 386 E HA -0.101 4.249 4.350 -0.000 0.000 0.196 386 E C 1.728 178.326 176.600 -0.004 0.000 0.996 386 E CA 0.640 57.038 56.400 -0.004 0.000 0.832 386 E CB -0.093 29.605 29.700 -0.004 0.000 0.756 386 E HN 0.546 nan 8.360 nan 0.000 0.491 387 V N 0.991 120.903 119.914 -0.004 0.000 2.307 387 V HA -0.234 3.886 4.120 -0.000 0.000 0.245 387 V C 1.961 178.053 176.094 -0.004 0.000 1.045 387 V CA 1.940 64.238 62.300 -0.004 0.000 1.024 387 V CB -0.445 31.376 31.823 -0.004 0.000 0.651 387 V HN 0.245 nan 8.190 nan 0.000 0.449 388 E N -0.509 119.689 120.200 -0.004 0.000 2.106 388 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 388 E C 2.204 178.802 176.600 -0.003 0.000 0.984 388 E CA 1.179 57.577 56.400 -0.003 0.000 0.806 388 E CB -0.183 29.515 29.700 -0.003 0.000 0.750 388 E HN 0.416 nan 8.360 nan 0.000 0.458 389 M N 0.905 120.503 119.600 -0.003 0.000 2.077 389 M HA -0.123 4.357 4.480 -0.000 0.000 0.261 389 M C 1.602 177.900 176.300 -0.003 0.000 1.070 389 M CA 1.391 56.689 55.300 -0.003 0.000 1.125 389 M CB -0.059 32.539 32.600 -0.003 0.000 1.339 389 M HN -0.134 nan 8.290 nan 0.000 0.409 390 K N 0.101 120.499 120.400 -0.003 0.000 2.574 390 K HA -0.112 4.208 4.320 -0.000 0.000 0.193 390 K C 1.406 178.003 176.600 -0.004 0.000 1.035 390 K CA 0.753 57.038 56.287 -0.004 0.000 0.982 390 K CB -0.158 32.339 32.500 -0.005 0.000 0.795 390 K HN 0.522 nan 8.250 nan 0.000 0.491 391 E N 0.288 120.486 120.200 -0.004 0.000 2.415 391 E HA -0.002 4.348 4.350 -0.000 0.000 0.197 391 E C 1.737 178.335 176.600 -0.003 0.000 1.007 391 E CA 0.260 56.658 56.400 -0.004 0.000 0.890 391 E CB 0.444 30.141 29.700 -0.004 0.000 0.891 391 E HN 0.096 nan 8.360 nan 0.000 0.496 392 K N 0.400 120.799 120.400 -0.002 0.000 2.262 392 K HA 0.035 4.355 4.320 -0.000 0.000 0.200 392 K C 1.975 178.575 176.600 0.001 0.000 1.058 392 K CA 0.257 56.544 56.287 -0.001 0.000 0.974 392 K CB 0.227 32.727 32.500 -0.001 0.000 0.910 392 K HN -0.168 nan 8.250 nan 0.000 0.484 393 K N 0.565 120.965 120.400 0.001 0.000 2.113 393 K HA -0.172 4.148 4.320 -0.000 0.000 0.208 393 K C 1.788 178.392 176.600 0.006 0.000 1.047 393 K CA 1.561 57.849 56.287 0.003 0.000 0.928 393 K CB -0.126 32.375 32.500 0.001 0.000 0.716 393 K HN 0.217 nan 8.250 nan 0.000 0.446 394 A N 0.906 123.728 122.820 0.003 0.000 1.968 394 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 394 A C 2.007 179.593 177.584 0.004 0.000 1.169 394 A CA 0.990 53.028 52.037 0.002 0.000 0.638 394 A CB -0.274 18.724 19.000 -0.004 0.000 0.812 394 A HN 0.275 nan 8.150 nan 0.000 0.446 395 R N -0.709 119.793 120.500 0.004 0.000 2.090 395 R HA -0.025 4.315 4.340 -0.000 0.000 0.228 395 R C 1.989 178.295 176.300 0.011 0.000 1.110 395 R CA 1.319 57.422 56.100 0.005 0.000 0.973 395 R CB -0.349 29.952 30.300 0.001 0.000 0.869 395 R HN 0.399 nan 8.270 nan 0.000 0.440 396 V N 0.896 120.817 119.914 0.012 0.000 2.379 396 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 396 V C 2.117 178.228 176.094 0.029 0.000 1.044 396 V CA 1.633 63.942 62.300 0.015 0.000 1.036 396 V CB -0.378 31.451 31.823 0.009 0.000 0.664 396 V HN 0.324 nan 8.190 nan 0.000 0.453 397 E N -0.049 120.173 120.200 0.037 0.000 2.058 397 E HA -0.262 4.088 4.350 -0.000 0.000 0.194 397 E C 2.055 178.724 176.600 0.115 0.000 0.997 397 E CA 1.656 58.099 56.400 0.072 0.000 0.801 397 E CB -0.108 29.628 29.700 0.060 0.000 0.746 397 E HN 0.597 nan 8.360 nan 0.000 0.450 398 D N -0.483 119.955 120.400 0.064 0.000 2.117 398 D HA -0.157 4.483 4.640 -0.000 0.000 0.197 398 D C 1.847 178.191 176.300 0.073 0.000 0.987 398 D CA 1.207 55.239 54.000 0.054 0.000 0.829 398 D CB -0.013 40.793 40.800 0.009 0.000 0.961 398 D HN 0.211 nan 8.370 nan 0.000 0.460 399 A N 0.977 123.825 122.820 0.048 0.000 1.972 399 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 399 A C 2.205 179.813 177.584 0.040 0.000 1.169 399 A CA 0.729 52.788 52.037 0.036 0.000 0.635 399 A CB -0.623 18.389 19.000 0.019 0.000 0.810 399 A HN 0.224 nan 8.150 nan 0.000 0.446 400 L N -1.005 120.244 121.223 0.043 0.000 1.989 400 L HA -0.229 4.111 4.340 -0.000 0.000 0.211 400 L C 2.516 179.388 176.870 0.005 0.000 1.071 400 L CA 2.208 57.053 54.840 0.009 0.000 0.749 400 L CB -0.568 41.485 42.059 -0.010 0.000 0.890 400 L HN 0.517 nan 8.230 nan 0.000 0.431 401 H N -0.759 118.306 119.070 -0.008 0.000 2.387 401 H HA -0.149 4.407 4.556 0.000 0.000 0.299 401 H C 2.056 177.381 175.328 -0.005 0.000 1.099 401 H CA 1.489 57.532 56.048 -0.008 0.000 1.315 401 H CB 0.029 29.785 29.762 -0.010 0.000 1.380 401 H HN 0.577 nan 8.280 nan 0.000 0.513 402 A N 0.074 122.960 122.820 0.111 0.000 1.929 402 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 402 A C 2.584 180.185 177.584 0.030 0.000 1.176 402 A CA 1.670 53.742 52.037 0.060 0.000 0.628 402 A CB -0.597 18.429 19.000 0.043 0.000 0.816 402 A HN 0.346 nan 8.150 nan 0.000 0.444 403 T N -0.495 114.069 114.554 0.017 0.000 2.821 403 T HA -0.086 4.264 4.350 -0.000 0.000 0.267 403 T C 2.110 176.804 174.700 -0.010 0.000 1.046 403 T CA 0.987 63.088 62.100 0.002 0.000 1.139 403 T CB -0.210 68.655 68.868 -0.004 0.000 0.871 403 T HN 0.287 nan 8.240 nan 0.000 0.454 404 R N 1.247 121.731 120.500 -0.027 0.000 2.083 404 R HA 0.008 4.348 4.340 -0.000 0.000 0.237 404 R C 2.632 178.921 176.300 -0.019 0.000 1.137 404 R CA 1.626 57.699 56.100 -0.045 0.000 0.951 404 R CB -0.890 29.348 30.300 -0.103 0.000 0.851 404 R HN 0.446 nan 8.270 nan 0.000 0.434 405 A N 0.257 123.077 122.820 0.001 0.000 2.014 405 A HA 0.064 4.384 4.320 -0.000 0.000 0.218 405 A C 2.191 179.783 177.584 0.012 0.000 1.163 405 A CA 1.282 53.328 52.037 0.015 0.000 0.652 405 A CB -0.250 18.769 19.000 0.033 0.000 0.808 405 A HN 0.351 nan 8.150 nan 0.000 0.449 406 A N -0.642 122.184 122.820 0.009 0.000 2.066 406 A HA 0.147 4.467 4.320 -0.000 0.000 0.218 406 A C 2.011 179.597 177.584 0.004 0.000 1.157 406 A CA 1.564 53.606 52.037 0.008 0.000 0.670 406 A CB -0.379 18.626 19.000 0.008 0.000 0.804 406 A HN 0.323 nan 8.150 nan 0.000 0.453 407 V N -0.555 119.359 119.914 -0.000 0.000 2.500 407 V HA -0.117 4.003 4.120 -0.000 0.000 0.243 407 V C 2.253 178.347 176.094 -0.000 0.000 1.039 407 V CA 1.626 63.925 62.300 -0.002 0.000 1.053 407 V CB -0.542 31.276 31.823 -0.008 0.000 0.695 407 V HN 0.573 nan 8.190 nan 0.000 0.463 408 E N 0.138 120.338 120.200 0.000 0.000 2.047 408 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 408 E C 1.874 178.478 176.600 0.007 0.000 0.987 408 E CA 1.443 57.845 56.400 0.002 0.000 0.799 408 E CB 0.076 29.777 29.700 0.003 0.000 0.752 408 E HN 0.637 nan 8.360 nan 0.000 0.449 409 E N -1.057 119.149 120.200 0.010 0.000 2.474 409 E HA 0.207 4.557 4.350 -0.000 0.000 0.215 409 E C 0.510 177.117 176.600 0.012 0.000 0.867 409 E CA 0.277 56.684 56.400 0.012 0.000 1.135 409 E CB 1.759 31.468 29.700 0.016 0.000 1.147 409 E HN 0.198 nan 8.360 nan 0.000 0.534 410 G N 1.230 110.037 108.800 0.011 0.000 2.466 410 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.316 410 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.316 410 G C -0.769 174.139 174.900 0.013 0.000 1.270 410 G CA -0.521 44.586 45.100 0.011 0.000 0.982 410 G HN 0.393 nan 8.290 nan 0.000 0.506 411 V N -2.029 117.893 119.914 0.013 0.000 2.588 411 V HA 0.892 5.012 4.120 -0.000 0.000 0.304 411 V C 0.756 176.860 176.094 0.016 0.000 1.042 411 V CA -0.073 62.236 62.300 0.015 0.000 0.877 411 V CB 0.793 32.624 31.823 0.013 0.000 0.996 411 V HN 2.182 nan 8.190 nan 0.000 0.425 412 V N 1.510 121.434 119.914 0.018 0.000 3.302 412 V HA 0.989 5.109 4.120 -0.000 0.000 0.316 412 V C 0.798 176.903 176.094 0.019 0.000 1.111 412 V CA -0.423 61.889 62.300 0.020 0.000 1.029 412 V CB 1.337 33.173 31.823 0.021 0.000 1.170 412 V HN 1.661 nan 8.190 nan 0.000 0.452 413 A N 0.807 123.641 122.820 0.023 0.000 2.454 413 A HA 0.658 4.978 4.320 -0.000 0.000 0.260 413 A C 0.824 178.419 177.584 0.019 0.000 1.106 413 A CA 0.365 52.415 52.037 0.022 0.000 0.780 413 A CB -0.500 18.519 19.000 0.031 0.000 1.044 413 A HN 1.701 nan 8.150 nan 0.000 0.498 414 G N 0.875 109.682 108.800 0.011 0.000 2.486 414 G HA2 0.487 4.447 3.960 -0.000 0.000 0.272 414 G HA3 0.487 4.447 3.960 -0.000 0.000 0.272 414 G C 1.185 176.090 174.900 0.009 0.000 1.426 414 G CA 0.030 45.134 45.100 0.008 0.000 1.058 414 G HN 2.240 nan 8.290 nan 0.000 0.531 415 G N -2.390 106.414 108.800 0.006 0.000 2.155 415 G HA2 0.202 4.162 3.960 -0.000 0.000 0.257 415 G HA3 0.202 4.162 3.960 -0.000 0.000 0.257 415 G C 1.540 176.456 174.900 0.027 0.000 0.983 415 G CA 1.108 46.217 45.100 0.015 0.000 0.676 415 G HN 2.518 nan 8.290 nan 0.000 0.528 416 G N -2.035 106.779 108.800 0.023 0.000 2.155 416 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.257 416 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.257 416 G C 1.803 176.721 174.900 0.029 0.000 0.983 416 G CA 1.989 47.104 45.100 0.025 0.000 0.676 416 G HN 2.241 nan 8.290 nan 0.000 0.528 417 V N -2.772 117.161 119.914 0.032 0.000 2.719 417 V HA 0.440 4.560 4.120 -0.000 0.000 0.252 417 V C 2.759 178.877 176.094 0.039 0.000 1.065 417 V CA 1.686 64.010 62.300 0.040 0.000 1.086 417 V CB -0.637 31.212 31.823 0.043 0.000 0.700 417 V HN 1.301 nan 8.190 nan 0.000 0.467 418 A N 1.227 124.067 122.820 0.033 0.000 1.883 418 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 418 A C 2.207 179.809 177.584 0.030 0.000 1.186 418 A CA 2.389 54.444 52.037 0.031 0.000 0.624 418 A CB -0.713 18.303 19.000 0.027 0.000 0.822 418 A HN 0.592 nan 8.150 nan 0.000 0.444 419 L N -1.095 120.145 121.223 0.028 0.000 2.109 419 L HA -0.024 4.316 4.340 -0.000 0.000 0.207 419 L C 2.431 179.317 176.870 0.027 0.000 1.086 419 L CA 1.090 55.945 54.840 0.025 0.000 0.760 419 L CB -0.306 41.767 42.059 0.024 0.000 0.910 419 L HN 0.430 nan 8.230 nan 0.000 0.437 420 I N -0.534 120.055 120.570 0.031 0.000 2.676 420 I HA -0.227 3.943 4.170 -0.000 0.000 0.259 420 I C 2.631 178.770 176.117 0.038 0.000 1.194 420 I CA 0.622 61.942 61.300 0.033 0.000 1.473 420 I CB 0.070 38.093 38.000 0.037 0.000 1.096 420 I HN 0.174 nan 8.210 nan 0.000 0.443 421 R N 0.052 120.576 120.500 0.040 0.000 2.093 421 R HA -0.029 4.311 4.340 -0.000 0.000 0.224 421 R C 1.980 178.298 176.300 0.032 0.000 1.101 421 R CA 1.351 57.476 56.100 0.042 0.000 0.979 421 R CB -0.684 29.643 30.300 0.046 0.000 0.877 421 R HN 0.188 nan 8.270 nan 0.000 0.441 422 V N 0.813 120.743 119.914 0.027 0.000 2.407 422 V HA -0.188 3.932 4.120 -0.000 0.000 0.248 422 V C 2.267 178.373 176.094 0.019 0.000 1.055 422 V CA 1.814 64.127 62.300 0.021 0.000 1.049 422 V CB -0.800 31.035 31.823 0.019 0.000 0.662 422 V HN 0.472 nan 8.190 nan 0.000 0.455 423 A N 0.797 123.629 122.820 0.021 0.000 1.908 423 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 423 A C 2.535 180.129 177.584 0.017 0.000 1.181 423 A CA 2.474 54.522 52.037 0.018 0.000 0.627 423 A CB -0.796 18.215 19.000 0.019 0.000 0.818 423 A HN 0.701 nan 8.150 nan 0.000 0.445 424 S N -0.656 115.056 115.700 0.021 0.000 2.453 424 S HA -0.043 4.427 4.470 -0.000 0.000 0.231 424 S C 1.592 176.201 174.600 0.016 0.000 1.005 424 S CA 1.292 59.503 58.200 0.019 0.000 0.949 424 S CB -0.225 62.989 63.200 0.023 0.000 0.774 424 S HN 0.589 nan 8.310 nan 0.000 0.510 425 K N 0.382 120.792 120.400 0.016 0.000 2.426 425 K HA 0.343 4.663 4.320 -0.000 0.000 0.193 425 K C 0.639 177.245 176.600 0.011 0.000 1.028 425 K CA 0.233 56.528 56.287 0.013 0.000 1.047 425 K CB 0.022 32.531 32.500 0.015 0.000 0.821 425 K HN 0.384 nan 8.250 nan 0.000 0.513 426 L N -0.227 121.003 121.223 0.011 0.000 3.066 426 L HA 0.255 4.595 4.340 -0.000 0.000 0.265 426 L C 1.419 178.293 176.870 0.008 0.000 1.232 426 L CA -0.197 54.648 54.840 0.008 0.000 1.031 426 L CB 0.584 42.648 42.059 0.008 0.000 1.379 426 L HN 0.032 nan 8.230 nan 0.000 0.563 427 A N -0.469 122.356 122.820 0.008 0.000 2.067 427 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 427 A C 1.550 179.137 177.584 0.005 0.000 1.158 427 A CA 1.335 53.377 52.037 0.007 0.000 0.661 427 A CB -0.132 18.873 19.000 0.007 0.000 0.801 427 A HN 0.291 nan 8.150 nan 0.000 0.452 428 D N -1.018 119.385 120.400 0.005 0.000 2.340 428 D HA 0.123 4.763 4.640 -0.000 0.000 0.220 428 D C 0.211 176.513 176.300 0.003 0.000 1.039 428 D CA -0.042 53.960 54.000 0.004 0.000 0.866 428 D CB -0.059 40.743 40.800 0.004 0.000 0.913 428 D HN 0.341 nan 8.370 nan 0.000 0.523 429 L N 1.642 122.867 121.223 0.004 0.000 2.410 429 L HA 0.166 4.506 4.340 -0.000 0.000 0.273 429 L C 0.106 176.978 176.870 0.003 0.000 1.152 429 L CA 0.411 55.253 54.840 0.003 0.000 0.855 429 L CB 0.255 42.316 42.059 0.004 0.000 1.129 429 L HN -0.243 nan 8.230 nan 0.000 0.463 430 R N 2.976 123.477 120.500 0.002 0.000 2.867 430 R HA 0.636 4.976 4.340 -0.000 0.000 0.268 430 R C -0.066 176.235 176.300 0.002 0.000 1.014 430 R CA -0.277 55.824 56.100 0.002 0.000 0.946 430 R CB 1.492 31.793 30.300 0.002 0.000 1.208 430 R HN 0.813 nan 8.270 nan 0.000 0.477 431 G N -0.124 108.677 108.800 0.001 0.000 3.075 431 G HA2 0.141 4.101 3.960 -0.000 0.000 0.156 431 G HA3 0.141 4.101 3.960 -0.000 0.000 0.156 431 G C 0.202 175.102 174.900 0.001 0.000 1.403 431 G CA 0.045 45.146 45.100 0.001 0.000 1.033 431 G HN 0.440 nan 8.290 nan 0.000 0.589 432 Q N -0.681 119.119 119.800 0.001 0.000 2.442 432 Q HA 0.165 4.505 4.340 -0.000 0.000 0.228 432 Q C 0.001 176.002 176.000 0.001 0.000 0.902 432 Q CA 0.274 56.078 55.803 0.001 0.000 0.933 432 Q CB 0.459 29.197 28.738 0.001 0.000 1.071 432 Q HN 0.625 nan 8.270 nan 0.000 0.562 433 N N -1.301 117.400 118.700 0.001 0.000 2.629 433 N HA 0.068 4.808 4.740 -0.000 0.000 0.279 433 N C 0.123 175.634 175.510 0.002 0.000 1.344 433 N CA -0.484 52.567 53.050 0.001 0.000 0.789 433 N CB 0.531 39.019 38.487 0.001 0.000 1.508 433 N HN -0.263 nan 8.380 nan 0.000 0.516 434 E N -0.321 119.880 120.200 0.002 0.000 2.118 434 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 434 E C 0.415 177.016 176.600 0.002 0.000 0.992 434 E CA 1.710 58.111 56.400 0.002 0.000 0.804 434 E CB -0.321 29.380 29.700 0.002 0.000 0.741 434 E HN 0.594 nan 8.360 nan 0.000 0.458 435 D N -0.068 120.333 120.400 0.002 0.000 2.144 435 D HA -0.145 4.495 4.640 -0.000 0.000 0.199 435 D C 1.858 178.160 176.300 0.003 0.000 0.984 435 D CA 0.900 54.902 54.000 0.003 0.000 0.834 435 D CB -0.198 40.604 40.800 0.003 0.000 0.955 435 D HN 0.390 nan 8.370 nan 0.000 0.465 436 Q N 0.061 119.862 119.800 0.003 0.000 2.172 436 Q HA -0.061 4.279 4.340 -0.000 0.000 0.200 436 Q C 1.760 177.762 176.000 0.003 0.000 0.964 436 Q CA 0.541 56.346 55.803 0.003 0.000 0.855 436 Q CB 0.045 28.784 28.738 0.002 0.000 0.918 436 Q HN 0.235 nan 8.270 nan 0.000 0.444 437 N N 0.111 118.813 118.700 0.003 0.000 2.166 437 N HA -0.121 4.619 4.740 -0.000 0.000 0.186 437 N C 1.810 177.322 175.510 0.003 0.000 1.019 437 N CA 1.015 54.067 53.050 0.003 0.000 0.856 437 N CB -0.119 38.370 38.487 0.002 0.000 0.993 437 N HN 0.061 nan 8.380 nan 0.000 0.426 438 V N 0.568 120.484 119.914 0.003 0.000 2.453 438 V HA -0.067 4.053 4.120 -0.000 0.000 0.247 438 V C 2.447 178.544 176.094 0.004 0.000 1.048 438 V CA 1.740 64.042 62.300 0.004 0.000 1.049 438 V CB -1.153 30.672 31.823 0.004 0.000 0.672 438 V HN 0.295 nan 8.190 nan 0.000 0.457 439 G N 0.341 109.144 108.800 0.004 0.000 2.442 439 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.219 439 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.219 439 G C 1.547 176.450 174.900 0.005 0.000 1.141 439 G CA 1.190 46.293 45.100 0.005 0.000 0.763 439 G HN 0.514 nan 8.290 nan 0.000 0.554 440 I N 0.171 120.743 120.570 0.004 0.000 2.233 440 I HA -0.083 4.087 4.170 -0.000 0.000 0.243 440 I C 2.601 178.721 176.117 0.005 0.000 1.093 440 I CA 0.927 62.230 61.300 0.004 0.000 1.380 440 I CB -0.097 37.906 38.000 0.004 0.000 1.067 440 I HN -0.059 nan 8.210 nan 0.000 0.413 441 K N 0.621 121.024 120.400 0.005 0.000 2.209 441 K HA -0.056 4.264 4.320 -0.000 0.000 0.204 441 K C 2.136 178.740 176.600 0.006 0.000 1.048 441 K CA 0.925 57.216 56.287 0.006 0.000 0.940 441 K CB -0.492 32.011 32.500 0.005 0.000 0.729 441 K HN 0.223 nan 8.250 nan 0.000 0.451 442 V N 1.429 121.347 119.914 0.006 0.000 2.307 442 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 442 V C 2.427 178.525 176.094 0.008 0.000 1.045 442 V CA 1.980 64.285 62.300 0.007 0.000 1.024 442 V CB -0.655 31.172 31.823 0.007 0.000 0.651 442 V HN 0.283 nan 8.190 nan 0.000 0.449 443 A N -0.520 122.305 122.820 0.008 0.000 1.930 443 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 443 A C 2.167 179.757 177.584 0.010 0.000 1.175 443 A CA 1.473 53.515 52.037 0.009 0.000 0.627 443 A CB -0.431 18.573 19.000 0.007 0.000 0.815 443 A HN 0.513 nan 8.150 nan 0.000 0.443 444 L N -1.367 119.861 121.223 0.009 0.000 2.109 444 L HA -0.065 4.275 4.340 -0.000 0.000 0.207 444 L C 2.668 179.545 176.870 0.011 0.000 1.086 444 L CA 0.952 55.798 54.840 0.011 0.000 0.760 444 L CB -0.362 41.703 42.059 0.010 0.000 0.910 444 L HN 0.298 nan 8.230 nan 0.000 0.437 445 R N -0.202 120.304 120.500 0.010 0.000 2.276 445 R HA 0.030 4.370 4.340 -0.000 0.000 0.203 445 R C 2.192 178.498 176.300 0.010 0.000 1.017 445 R CA 0.775 56.881 56.100 0.009 0.000 1.010 445 R CB -0.083 30.222 30.300 0.008 0.000 0.900 445 R HN 0.299 nan 8.270 nan 0.000 0.469 446 A N 0.430 123.256 122.820 0.011 0.000 2.021 446 A HA -0.042 4.278 4.320 -0.000 0.000 0.216 446 A C 1.925 179.518 177.584 0.014 0.000 1.163 446 A CA 0.642 52.686 52.037 0.012 0.000 0.676 446 A CB -0.109 18.899 19.000 0.013 0.000 0.818 446 A HN 0.152 nan 8.150 nan 0.000 0.453 447 M N -0.485 119.124 119.600 0.015 0.000 2.476 447 M HA -0.070 4.410 4.480 -0.000 0.000 0.262 447 M C 1.590 177.900 176.300 0.017 0.000 1.079 447 M CA 0.966 56.276 55.300 0.017 0.000 1.104 447 M CB -0.149 32.461 32.600 0.017 0.000 1.409 447 M HN 0.434 nan 8.290 nan 0.000 0.467 448 E N 0.335 120.544 120.200 0.015 0.000 2.216 448 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 448 E C 2.129 178.735 176.600 0.010 0.000 0.988 448 E CA 0.814 57.222 56.400 0.014 0.000 0.834 448 E CB -0.033 29.674 29.700 0.012 0.000 0.772 448 E HN 0.514 nan 8.360 nan 0.000 0.479 449 A N 2.183 125.008 122.820 0.010 0.000 1.902 449 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 449 A C -0.336 177.253 177.584 0.007 0.000 1.181 449 A CA 1.072 53.113 52.037 0.007 0.000 0.623 449 A CB -1.348 17.656 19.000 0.008 0.000 0.818 449 A HN 0.126 nan 8.150 nan 0.000 0.443 450 P HA -0.184 nan 4.420 nan 0.000 0.215 450 P C 1.802 179.109 177.300 0.011 0.000 1.157 450 P CA 1.039 64.146 63.100 0.012 0.000 0.874 450 P CB -0.131 31.578 31.700 0.016 0.000 0.790 451 L N -0.676 120.555 121.223 0.013 0.000 1.989 451 L HA -0.194 4.146 4.340 -0.000 0.000 0.211 451 L C 2.513 179.381 176.870 -0.003 0.000 1.071 451 L CA 1.795 56.643 54.840 0.013 0.000 0.749 451 L CB -0.379 41.691 42.059 0.018 0.000 0.890 451 L HN -0.204 nan 8.230 nan 0.000 0.431 452 R N -0.825 119.670 120.500 -0.008 0.000 2.139 452 R HA -0.249 4.091 4.340 -0.000 0.000 0.243 452 R C 2.292 178.580 176.300 -0.019 0.000 1.145 452 R CA 1.741 57.829 56.100 -0.021 0.000 0.976 452 R CB -0.296 29.996 30.300 -0.013 0.000 0.866 452 R HN 0.416 nan 8.270 nan 0.000 0.449 453 Q N 0.717 120.512 119.800 -0.007 0.000 2.187 453 Q HA -0.007 4.333 4.340 -0.000 0.000 0.199 453 Q C 1.767 177.766 176.000 -0.002 0.000 0.957 453 Q CA 1.252 57.053 55.803 -0.004 0.000 0.857 453 Q CB 0.079 28.818 28.738 0.000 0.000 0.929 453 Q HN 0.344 nan 8.270 nan 0.000 0.453 454 I N -0.878 119.694 120.570 0.004 0.000 2.252 454 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 454 I C 1.890 178.018 176.117 0.019 0.000 1.102 454 I CA 0.689 62.000 61.300 0.018 0.000 1.385 454 I CB -0.235 37.786 38.000 0.035 0.000 1.064 454 I HN 0.005 nan 8.210 nan 0.000 0.414 455 V N 0.734 120.639 119.914 -0.015 0.000 2.407 455 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 455 V C 2.395 178.460 176.094 -0.048 0.000 1.055 455 V CA 1.433 63.690 62.300 -0.072 0.000 1.049 455 V CB -0.518 31.196 31.823 -0.181 0.000 0.662 455 V HN 0.347 nan 8.190 nan 0.000 0.455 456 L N 0.943 122.147 121.223 -0.032 0.000 2.083 456 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 456 L C 2.147 179.011 176.870 -0.009 0.000 1.083 456 L CA 1.898 56.725 54.840 -0.022 0.000 0.752 456 L CB -0.778 41.272 42.059 -0.016 0.000 0.899 456 L HN 0.331 nan 8.230 nan 0.000 0.433 457 N N -1.535 117.164 118.700 -0.002 0.000 2.309 457 N HA -0.176 4.564 4.740 -0.000 0.000 0.182 457 N C 1.830 177.346 175.510 0.010 0.000 1.018 457 N CA 1.356 54.408 53.050 0.004 0.000 0.876 457 N CB -0.969 37.522 38.487 0.006 0.000 0.972 457 N HN 0.462 nan 8.380 nan 0.000 0.434 458 C N -0.110 119.202 119.300 0.020 0.000 2.522 458 C HA 0.316 4.776 4.460 -0.000 0.000 0.271 458 C C 1.805 176.810 174.990 0.025 0.000 1.425 458 C CA 0.790 59.831 59.018 0.039 0.000 1.751 458 C CB -1.565 26.235 27.740 0.099 0.000 1.775 458 C HN 0.632 nan 8.230 nan 0.000 0.557 459 G N 0.443 109.246 108.800 0.006 0.000 2.253 459 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.251 459 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.251 459 G C 0.018 174.912 174.900 -0.010 0.000 0.998 459 G CA 0.405 45.505 45.100 0.000 0.000 0.621 459 G HN 0.577 nan 8.290 nan 0.000 0.524 460 E N 1.277 121.464 120.200 -0.022 0.000 2.374 460 E HA 0.338 4.688 4.350 -0.000 0.000 0.260 460 E C 0.370 176.930 176.600 -0.067 0.000 1.101 460 E CA -0.289 56.081 56.400 -0.050 0.000 0.907 460 E CB 0.483 30.124 29.700 -0.098 0.000 1.014 460 E HN 0.588 nan 8.360 nan 0.000 0.427 461 E N 2.984 123.150 120.200 -0.058 0.000 2.265 461 E HA 0.006 4.356 4.350 -0.000 0.000 0.272 461 E C -1.402 175.153 176.600 -0.074 0.000 1.067 461 E CA -1.371 54.999 56.400 -0.049 0.000 0.900 461 E CB 0.690 30.373 29.700 -0.029 0.000 1.017 461 E HN 0.225 nan 8.360 nan 0.000 0.431 462 P HA -0.199 nan 4.420 nan 0.000 0.217 462 P C 1.114 178.382 177.300 -0.054 0.000 1.150 462 P CA 1.177 64.232 63.100 -0.074 0.000 0.832 462 P CB 0.232 31.903 31.700 -0.047 0.000 0.787 463 S N 0.078 115.758 115.700 -0.034 0.000 2.370 463 S HA -0.118 4.352 4.470 -0.000 0.000 0.226 463 S C 2.159 176.750 174.600 -0.015 0.000 1.033 463 S CA 1.564 59.752 58.200 -0.019 0.000 1.011 463 S CB -1.893 61.299 63.200 -0.013 0.000 0.852 463 S HN -0.009 nan 8.310 nan 0.000 0.457 464 V N 1.646 121.547 119.914 -0.020 0.000 2.307 464 V HA -0.102 4.018 4.120 -0.000 0.000 0.245 464 V C 2.594 178.691 176.094 0.006 0.000 1.045 464 V CA 1.466 63.763 62.300 -0.006 0.000 1.024 464 V CB -0.834 30.988 31.823 -0.002 0.000 0.651 464 V HN 0.421 nan 8.190 nan 0.000 0.449 465 V N 0.362 120.255 119.914 -0.034 0.000 2.307 465 V HA -0.192 3.928 4.120 -0.000 0.000 0.245 465 V C 2.731 178.841 176.094 0.027 0.000 1.045 465 V CA 1.911 64.195 62.300 -0.027 0.000 1.024 465 V CB -1.071 30.557 31.823 -0.325 0.000 0.651 465 V HN 0.538 nan 8.190 nan 0.000 0.449 466 A N 0.232 123.047 122.820 -0.008 0.000 1.933 466 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 466 A C 2.033 179.638 177.584 0.035 0.000 1.175 466 A CA 2.308 54.355 52.037 0.017 0.000 0.628 466 A CB -0.837 18.164 19.000 0.002 0.000 0.814 466 A HN 0.604 nan 8.150 nan 0.000 0.444 467 N N -0.741 117.974 118.700 0.025 0.000 2.244 467 N HA -0.093 4.647 4.740 -0.000 0.000 0.183 467 N C 1.577 177.107 175.510 0.034 0.000 1.016 467 N CA 1.939 55.003 53.050 0.024 0.000 0.866 467 N CB -0.175 38.319 38.487 0.012 0.000 0.980 467 N HN 0.437 nan 8.380 nan 0.000 0.430 468 T N -1.109 113.472 114.554 0.044 0.000 2.896 468 T HA 0.002 4.352 4.350 -0.000 0.000 0.263 468 T C 1.928 176.706 174.700 0.130 0.000 1.050 468 T CA 0.726 62.844 62.100 0.031 0.000 1.140 468 T CB -0.213 68.608 68.868 -0.078 0.000 0.877 468 T HN -0.021 nan 8.240 nan 0.000 0.457 469 V N 1.561 121.571 119.914 0.160 0.000 2.427 469 V HA -0.111 4.009 4.120 -0.000 0.000 0.248 469 V C 2.448 178.651 176.094 0.182 0.000 1.051 469 V CA 1.417 63.841 62.300 0.208 0.000 1.048 469 V CB -0.465 31.443 31.823 0.140 0.000 0.666 469 V HN 0.438 nan 8.190 nan 0.000 0.456 470 K N 0.197 120.662 120.400 0.108 0.000 2.148 470 K HA -0.060 4.260 4.320 -0.000 0.000 0.204 470 K C 2.240 178.876 176.600 0.060 0.000 1.050 470 K CA 1.237 57.569 56.287 0.075 0.000 0.942 470 K CB -0.478 32.050 32.500 0.047 0.000 0.724 470 K HN 0.556 nan 8.250 nan 0.000 0.446 471 G N 1.225 110.057 108.800 0.052 0.000 2.402 471 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.216 471 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.216 471 G C 0.759 175.649 174.900 -0.016 0.000 1.162 471 G CA 0.667 45.773 45.100 0.011 0.000 0.777 471 G HN 0.369 nan 8.290 nan 0.000 0.539 472 G N -0.638 108.158 108.800 -0.007 0.000 2.572 472 G HA2 0.471 4.431 3.960 -0.000 0.000 0.261 472 G HA3 0.471 4.431 3.960 -0.000 0.000 0.261 472 G C -1.072 173.837 174.900 0.015 0.000 1.197 472 G CA -0.366 44.661 45.100 -0.122 0.000 0.870 472 G HN 0.138 nan 8.290 nan 0.000 0.548 473 D N -1.019 119.366 120.400 -0.025 0.000 2.423 473 D HA 0.612 5.252 4.640 -0.000 0.000 0.235 473 D C 0.827 177.169 176.300 0.070 0.000 1.011 473 D CA 0.936 54.955 54.000 0.033 0.000 0.963 473 D CB 1.922 42.722 40.800 0.001 0.000 1.349 473 D HN 0.877 nan 8.370 nan 0.000 0.508 474 G N 1.314 110.159 108.800 0.075 0.000 2.496 474 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.243 474 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.243 474 G C 0.102 175.067 174.900 0.108 0.000 1.176 474 G CA -0.328 44.819 45.100 0.078 0.000 0.940 474 G HN 0.595 nan 8.290 nan 0.000 0.573 475 N N 0.491 119.257 118.700 0.111 0.000 2.346 475 N HA 0.174 4.914 4.740 -0.000 0.000 0.225 475 N C -0.273 175.324 175.510 0.145 0.000 1.144 475 N CA -0.026 53.085 53.050 0.103 0.000 0.837 475 N CB 0.310 38.839 38.487 0.070 0.000 1.069 475 N HN 0.444 nan 8.380 nan 0.000 0.487 476 Y N 1.103 121.434 120.300 0.051 0.000 2.365 476 Y HA 0.431 4.981 4.550 -0.000 0.000 0.340 476 Y C 0.446 176.412 175.900 0.111 0.000 1.016 476 Y CA -0.224 57.921 58.100 0.074 0.000 1.196 476 Y CB 0.477 38.972 38.460 0.058 0.000 1.167 476 Y HN -0.014 nan 8.280 nan 0.000 0.509 477 G N 4.158 112.767 108.800 -0.320 0.000 2.911 477 G HA2 0.252 4.212 3.960 -0.000 0.000 0.299 477 G HA3 0.252 4.212 3.960 -0.000 0.000 0.299 477 G C -2.422 172.389 174.900 -0.148 0.000 1.283 477 G CA -0.893 44.094 45.100 -0.189 0.000 0.805 477 G HN 0.518 nan 8.290 nan 0.000 0.548 478 Y N 1.300 121.485 120.300 -0.192 0.000 2.335 478 Y HA 0.574 5.124 4.550 0.000 0.000 0.338 478 Y C -0.233 175.524 175.900 -0.238 0.000 0.977 478 Y CA -1.227 56.679 58.100 -0.323 0.000 1.114 478 Y CB 1.612 39.869 38.460 -0.338 0.000 1.182 478 Y HN 0.412 nan 8.280 nan 0.000 0.463 479 N N 4.641 122.863 118.700 -0.796 0.000 2.437 479 N HA 0.216 4.956 4.740 -0.000 0.000 0.243 479 N C 0.329 175.321 175.510 -0.864 0.000 1.041 479 N CA 0.526 53.215 53.050 -0.602 0.000 0.940 479 N CB 1.526 39.771 38.487 -0.404 0.000 1.133 479 N HN 0.917 nan 8.380 nan 0.000 0.506 480 A N 3.722 126.280 122.820 -0.436 0.000 2.014 480 A HA 0.030 4.350 4.320 -0.000 0.000 0.218 480 A C 1.996 179.490 177.584 -0.150 0.000 1.163 480 A CA 1.445 53.376 52.037 -0.177 0.000 0.652 480 A CB -0.409 18.627 19.000 0.061 0.000 0.808 480 A HN 0.700 nan 8.150 nan 0.000 0.449 481 A N -0.217 122.508 122.820 -0.158 0.000 1.898 481 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 481 A C 2.292 179.802 177.584 -0.122 0.000 1.181 481 A CA 2.295 54.266 52.037 -0.109 0.000 0.620 481 A CB -0.934 18.013 19.000 -0.090 0.000 0.819 481 A HN 0.732 nan 8.150 nan 0.000 0.442 482 T N -3.822 110.622 114.554 -0.183 0.000 3.040 482 T HA 0.269 4.619 4.350 -0.000 0.000 0.250 482 T C 0.297 174.884 174.700 -0.188 0.000 1.058 482 T CA 0.660 62.665 62.100 -0.157 0.000 0.988 482 T CB -0.186 68.596 68.868 -0.143 0.000 0.993 482 T HN 0.574 nan 8.240 nan 0.000 0.519 483 E N 1.046 121.064 120.200 -0.304 0.000 2.586 483 E HA -0.143 4.207 4.350 -0.000 0.000 0.259 483 E C -0.733 175.666 176.600 -0.335 0.000 1.107 483 E CA 0.543 56.762 56.400 -0.300 0.000 0.754 483 E CB -1.010 28.662 29.700 -0.046 0.000 1.335 483 E HN 0.641 nan 8.360 nan 0.000 0.411 484 E N -0.201 119.716 120.200 -0.473 0.000 2.212 484 E HA 0.354 4.704 4.350 -0.000 0.000 0.268 484 E C -0.450 175.903 176.600 -0.412 0.000 0.902 484 E CA -0.623 55.606 56.400 -0.285 0.000 0.779 484 E CB 1.058 30.672 29.700 -0.143 0.000 1.172 484 E HN 0.055 nan 8.360 nan 0.000 0.409 485 Y N 0.197 120.445 120.300 -0.088 0.000 2.326 485 Y HA 0.563 5.113 4.550 -0.000 0.000 0.324 485 Y C 1.253 177.105 175.900 -0.081 0.000 1.291 485 Y CA 0.603 58.633 58.100 -0.117 0.000 1.348 485 Y CB 1.529 39.978 38.460 -0.018 0.000 1.294 485 Y HN 0.697 nan 8.280 nan 0.000 0.525 486 G N 0.526 109.347 108.800 0.035 0.000 2.356 486 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.288 486 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.288 486 G C -1.827 173.128 174.900 0.092 0.000 1.302 486 G CA -1.242 43.938 45.100 0.133 0.000 0.887 486 G HN 0.542 nan 8.290 nan 0.000 0.521 487 N N 0.892 119.668 118.700 0.126 0.000 2.452 487 N HA 0.103 4.843 4.740 -0.000 0.000 0.266 487 N C 1.712 177.243 175.510 0.035 0.000 1.175 487 N CA -0.328 52.780 53.050 0.096 0.000 0.945 487 N CB 0.753 39.292 38.487 0.087 0.000 1.063 487 N HN 0.394 nan 8.380 nan 0.000 0.472 488 M N 3.648 123.262 119.600 0.023 0.000 2.132 488 M HA -0.113 4.367 4.480 -0.000 0.000 0.263 488 M C 1.731 178.032 176.300 0.003 0.000 1.065 488 M CA 0.936 56.234 55.300 -0.003 0.000 1.122 488 M CB -0.630 31.969 32.600 -0.002 0.000 1.365 488 M HN 0.530 nan 8.290 nan 0.000 0.411 489 I N 0.786 121.366 120.570 0.016 0.000 2.226 489 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 489 I C 1.809 177.932 176.117 0.010 0.000 1.100 489 I CA 1.497 62.805 61.300 0.013 0.000 1.374 489 I CB -1.657 36.355 38.000 0.020 0.000 1.057 489 I HN 0.247 nan 8.210 nan 0.000 0.413 490 D N 0.359 120.768 120.400 0.015 0.000 2.219 490 D HA -0.121 4.519 4.640 -0.000 0.000 0.205 490 D C 2.182 178.483 176.300 0.002 0.000 0.970 490 D CA 0.997 55.004 54.000 0.012 0.000 0.851 490 D CB -0.082 40.731 40.800 0.021 0.000 0.943 490 D HN 0.347 nan 8.370 nan 0.000 0.488 491 M N -0.868 118.729 119.600 -0.006 0.000 2.561 491 M HA 0.137 4.617 4.480 -0.000 0.000 0.238 491 M C 1.100 177.386 176.300 -0.023 0.000 1.131 491 M CA 0.378 55.666 55.300 -0.021 0.000 1.046 491 M CB 0.698 33.274 32.600 -0.040 0.000 1.532 491 M HN 0.096 nan 8.290 nan 0.000 0.497 492 G N 1.719 110.510 108.800 -0.014 0.000 2.162 492 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.260 492 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.260 492 G C 0.129 175.020 174.900 -0.016 0.000 0.976 492 G CA -0.208 44.885 45.100 -0.013 0.000 0.655 492 G HN 0.481 nan 8.290 nan 0.000 0.533 493 I N 1.519 122.076 120.570 -0.021 0.000 2.294 493 I HA 0.489 4.659 4.170 -0.000 0.000 0.295 493 I C 0.275 176.386 176.117 -0.010 0.000 1.098 493 I CA -0.529 60.758 61.300 -0.022 0.000 1.277 493 I CB 0.343 38.321 38.000 -0.037 0.000 1.434 493 I HN 0.261 nan 8.210 nan 0.000 0.498 494 L N 4.039 125.260 121.223 -0.004 0.000 2.466 494 L HA 0.712 5.051 4.340 -0.000 0.000 0.258 494 L C -1.402 175.472 176.870 0.006 0.000 0.973 494 L CA -0.825 54.017 54.840 0.003 0.000 0.826 494 L CB 1.661 43.724 42.059 0.006 0.000 1.372 494 L HN 0.094 nan 8.230 nan 0.000 0.409 495 D N 1.126 121.532 120.400 0.011 0.000 2.375 495 D HA 0.480 5.120 4.640 -0.000 0.000 0.247 495 D C -2.701 173.609 176.300 0.017 0.000 1.061 495 D CA -1.272 52.736 54.000 0.014 0.000 0.834 495 D CB 2.313 43.122 40.800 0.015 0.000 1.247 495 D HN 0.372 nan 8.370 nan 0.000 0.489 496 P HA 0.035 nan 4.420 nan 0.000 0.264 496 P C 0.907 178.222 177.300 0.024 0.000 1.193 496 P CA 0.052 63.164 63.100 0.022 0.000 0.763 496 P CB 0.620 32.336 31.700 0.026 0.000 0.810 497 T N 2.581 117.148 114.554 0.022 0.000 2.699 497 T HA -0.225 4.125 4.350 -0.000 0.000 0.268 497 T C 1.627 176.343 174.700 0.028 0.000 1.036 497 T CA 1.355 63.468 62.100 0.023 0.000 1.147 497 T CB -0.318 68.561 68.868 0.019 0.000 0.862 497 T HN 0.494 nan 8.240 nan 0.000 0.446 498 K N 0.532 120.950 120.400 0.030 0.000 2.063 498 K HA -0.116 4.204 4.320 -0.000 0.000 0.208 498 K C 2.380 179.009 176.600 0.050 0.000 1.048 498 K CA 1.392 57.703 56.287 0.038 0.000 0.928 498 K CB -0.494 32.029 32.500 0.038 0.000 0.713 498 K HN 0.241 nan 8.250 nan 0.000 0.442 499 V N 0.756 120.697 119.914 0.045 0.000 2.427 499 V HA -0.188 3.932 4.120 -0.000 0.000 0.248 499 V C 1.643 177.765 176.094 0.048 0.000 1.051 499 V CA 2.517 64.844 62.300 0.046 0.000 1.048 499 V CB -0.372 31.472 31.823 0.034 0.000 0.666 499 V HN 0.460 nan 8.190 nan 0.000 0.456 500 T N 0.091 114.669 114.554 0.040 0.000 2.904 500 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 500 T C 1.950 176.677 174.700 0.044 0.000 1.059 500 T CA 1.544 63.667 62.100 0.038 0.000 1.137 500 T CB -0.298 68.588 68.868 0.030 0.000 0.879 500 T HN 0.519 nan 8.240 nan 0.000 0.467 501 R N 0.999 121.525 120.500 0.043 0.000 2.075 501 R HA -0.044 4.296 4.340 -0.000 0.000 0.232 501 R C 2.490 178.827 176.300 0.062 0.000 1.126 501 R CA 1.446 57.569 56.100 0.039 0.000 0.963 501 R CB -0.274 30.044 30.300 0.030 0.000 0.858 501 R HN 0.223 nan 8.270 nan 0.000 0.435 502 S N 0.510 116.271 115.700 0.103 0.000 2.355 502 S HA -0.097 4.373 4.470 -0.000 0.000 0.222 502 S C 1.976 176.722 174.600 0.243 0.000 1.031 502 S CA 1.142 59.470 58.200 0.213 0.000 0.993 502 S CB -0.173 63.159 63.200 0.219 0.000 0.859 502 S HN 0.558 nan 8.310 nan 0.000 0.453 503 A N 0.990 123.891 122.820 0.134 0.000 1.933 503 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 503 A C 2.116 179.759 177.584 0.099 0.000 1.175 503 A CA 1.348 53.447 52.037 0.104 0.000 0.628 503 A CB -0.559 18.476 19.000 0.058 0.000 0.814 503 A HN 0.422 nan 8.150 nan 0.000 0.444 504 L N -0.712 120.556 121.223 0.075 0.000 2.068 504 L HA -0.069 4.271 4.340 -0.000 0.000 0.204 504 L C 2.481 179.374 176.870 0.039 0.000 1.076 504 L CA 2.036 56.905 54.840 0.049 0.000 0.753 504 L CB -0.675 41.402 42.059 0.030 0.000 0.910 504 L HN 0.461 nan 8.230 nan 0.000 0.439 505 Q N -1.574 118.237 119.800 0.018 0.000 2.050 505 Q HA -0.242 4.098 4.340 -0.000 0.000 0.202 505 Q C 2.183 178.136 176.000 -0.079 0.000 0.980 505 Q CA 2.323 58.088 55.803 -0.065 0.000 0.840 505 Q CB -0.341 28.306 28.738 -0.152 0.000 0.898 505 Q HN 0.512 nan 8.270 nan 0.000 0.424 506 Y N -0.050 120.253 120.300 0.005 0.000 2.181 506 Y HA -0.210 4.340 4.550 -0.000 0.000 0.288 506 Y C 2.369 178.272 175.900 0.004 0.000 1.146 506 Y CA 1.179 59.281 58.100 0.004 0.000 1.164 506 Y CB -0.491 37.971 38.460 0.003 0.000 0.982 506 Y HN 0.153 nan 8.280 nan 0.000 0.515 507 A N -0.214 122.702 122.820 0.159 0.000 1.972 507 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 507 A C 2.379 179.997 177.584 0.056 0.000 1.169 507 A CA 1.767 53.858 52.037 0.091 0.000 0.635 507 A CB -1.110 17.931 19.000 0.067 0.000 0.810 507 A HN 0.411 nan 8.150 nan 0.000 0.446 508 A N -1.112 121.731 122.820 0.038 0.000 1.930 508 A HA 0.005 4.325 4.320 -0.000 0.000 0.215 508 A C 2.420 180.011 177.584 0.012 0.000 1.176 508 A CA 1.799 53.846 52.037 0.017 0.000 0.632 508 A CB -0.848 18.153 19.000 0.001 0.000 0.819 508 A HN 0.518 nan 8.150 nan 0.000 0.445 509 S N -0.729 114.975 115.700 0.006 0.000 2.359 509 S HA -0.151 4.319 4.470 -0.000 0.000 0.224 509 S C 1.971 176.586 174.600 0.026 0.000 1.035 509 S CA 1.800 59.999 58.200 -0.001 0.000 1.018 509 S CB -0.502 62.682 63.200 -0.026 0.000 0.876 509 S HN 0.432 nan 8.310 nan 0.000 0.448 510 V N 1.605 121.549 119.914 0.050 0.000 2.358 510 V HA 0.009 4.129 4.120 -0.000 0.000 0.246 510 V C 2.633 178.747 176.094 0.034 0.000 1.047 510 V CA 1.957 64.285 62.300 0.047 0.000 1.035 510 V CB -1.057 30.802 31.823 0.059 0.000 0.658 510 V HN 0.582 nan 8.190 nan 0.000 0.452 511 A N 0.032 122.871 122.820 0.031 0.000 1.940 511 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 511 A C 2.348 179.943 177.584 0.019 0.000 1.176 511 A CA 2.041 54.092 52.037 0.024 0.000 0.631 511 A CB -1.421 17.592 19.000 0.022 0.000 0.814 511 A HN 0.657 nan 8.150 nan 0.000 0.446 512 G N -0.224 108.586 108.800 0.016 0.000 2.446 512 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.217 512 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.217 512 G C 1.554 176.462 174.900 0.015 0.000 1.168 512 G CA 1.080 46.188 45.100 0.012 0.000 0.771 512 G HN 0.445 nan 8.290 nan 0.000 0.551 513 L N -0.372 120.862 121.223 0.018 0.000 2.093 513 L HA 0.051 4.391 4.340 -0.000 0.000 0.208 513 L C 3.034 179.918 176.870 0.022 0.000 1.085 513 L CA 0.810 55.662 54.840 0.020 0.000 0.755 513 L CB -0.230 41.843 42.059 0.023 0.000 0.904 513 L HN 0.216 nan 8.230 nan 0.000 0.435 514 M N -0.922 118.692 119.600 0.023 0.000 2.319 514 M HA -0.130 4.350 4.480 -0.000 0.000 0.265 514 M C 2.161 178.475 176.300 0.022 0.000 1.068 514 M CA 1.497 56.812 55.300 0.024 0.000 1.118 514 M CB -0.035 32.581 32.600 0.025 0.000 1.395 514 M HN 0.210 nan 8.290 nan 0.000 0.435 515 I N -0.166 120.416 120.570 0.020 0.000 2.439 515 I HA -0.188 3.982 4.170 -0.000 0.000 0.251 515 I C 1.797 177.926 176.117 0.019 0.000 1.139 515 I CA 1.228 62.539 61.300 0.018 0.000 1.438 515 I CB -0.174 37.835 38.000 0.015 0.000 1.085 515 I HN 0.324 nan 8.210 nan 0.000 0.427 516 T N -2.503 112.063 114.554 0.020 0.000 3.272 516 T HA 0.109 4.459 4.350 -0.000 0.000 0.250 516 T C 0.598 175.314 174.700 0.028 0.000 1.082 516 T CA -0.186 61.927 62.100 0.022 0.000 0.968 516 T CB -0.753 68.127 68.868 0.019 0.000 1.015 516 T HN -0.009 nan 8.240 nan 0.000 0.563 517 T N 2.300 116.872 114.554 0.029 0.000 2.817 517 T HA 0.308 4.658 4.350 -0.000 0.000 0.293 517 T C 0.598 175.322 174.700 0.041 0.000 0.964 517 T CA -0.566 61.554 62.100 0.034 0.000 1.085 517 T CB 1.642 70.529 68.868 0.032 0.000 0.921 517 T HN 0.119 nan 8.240 nan 0.000 0.502 518 E N 0.434 120.667 120.200 0.055 0.000 2.441 518 E HA 0.158 4.508 4.350 -0.000 0.000 0.212 518 E C 0.073 176.735 176.600 0.104 0.000 0.840 518 E CA 0.146 56.596 56.400 0.083 0.000 1.143 518 E CB 0.898 30.658 29.700 0.099 0.000 1.153 518 E HN 0.578 nan 8.360 nan 0.000 0.539 519 C N 1.053 120.389 119.300 0.060 0.000 2.609 519 C HA 0.706 5.166 4.460 -0.000 0.000 0.313 519 C C -1.037 173.925 174.990 -0.046 0.000 1.175 519 C CA -0.520 58.477 59.018 -0.035 0.000 1.434 519 C CB 0.198 27.953 27.740 0.024 0.000 2.005 519 C HN 0.155 nan 8.230 nan 0.000 0.471 520 M N 5.368 124.921 119.600 -0.078 0.000 2.326 520 M HA 0.557 5.037 4.480 -0.000 0.000 0.306 520 M C -1.110 175.250 176.300 0.099 0.000 1.054 520 M CA -0.503 54.842 55.300 0.075 0.000 0.922 520 M CB 2.109 34.864 32.600 0.258 0.000 1.632 520 M HN 0.384 nan 8.290 nan 0.000 0.436 521 V N 1.781 121.706 119.914 0.018 0.000 2.407 521 V HA 0.669 4.789 4.120 -0.000 0.000 0.291 521 V C -0.293 175.727 176.094 -0.123 0.000 1.018 521 V CA -0.395 61.885 62.300 -0.034 0.000 0.842 521 V CB 1.774 33.575 31.823 -0.036 0.000 0.996 521 V HN 0.936 nan 8.190 nan 0.000 0.426 522 T N 2.150 116.567 114.554 -0.227 0.000 2.838 522 T HA 0.448 4.798 4.350 -0.000 0.000 0.292 522 T C -1.138 173.431 174.700 -0.219 0.000 1.113 522 T CA -0.545 61.371 62.100 -0.307 0.000 1.008 522 T CB 1.891 70.399 68.868 -0.601 0.000 1.259 522 T HN 0.612 nan 8.240 nan 0.000 0.520 523 D N 1.430 121.721 120.400 -0.180 0.000 2.382 523 D HA 0.303 4.943 4.640 -0.000 0.000 0.240 523 D C -0.125 176.109 176.300 -0.109 0.000 1.146 523 D CA -0.035 53.897 54.000 -0.114 0.000 0.897 523 D CB 0.489 41.237 40.800 -0.087 0.000 1.197 523 D HN 0.339 nan 8.370 nan 0.000 0.432 524 L N 3.669 124.857 121.223 -0.058 0.000 2.367 524 L HA 0.288 4.628 4.340 -0.000 0.000 0.275 524 L C -1.610 175.244 176.870 -0.026 0.000 1.129 524 L CA -0.953 53.870 54.840 -0.029 0.000 0.839 524 L CB 0.206 42.261 42.059 -0.007 0.000 1.133 524 L HN 0.376 nan 8.230 nan 0.000 0.453 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.095 63.100 -0.008 0.000 0.800 525 P CB 0.000 31.705 31.700 0.008 0.000 0.726