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 1gr5_1_B DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND AGVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTVAVEEL KALSXXCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE XXQFDRGYLS 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 LXXGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEXXV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.581 177.584 -0.005 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 2 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 3 A N 1.114 123.934 122.820 0.000 0.000 2.540 3 A HA 0.507 4.827 4.320 -0.000 0.000 0.239 3 A C 0.288 177.874 177.584 0.004 0.000 1.061 3 A CA 0.443 52.484 52.037 0.007 0.000 0.758 3 A CB -0.164 18.843 19.000 0.012 0.000 0.991 3 A HN 0.610 nan 8.150 nan 0.000 0.502 4 K N 1.282 121.690 120.400 0.013 0.000 2.211 4 K HA 0.493 4.813 4.320 -0.000 0.000 0.237 4 K C -1.085 175.542 176.600 0.045 0.000 1.002 4 K CA -0.697 55.596 56.287 0.010 0.000 0.885 4 K CB 1.296 33.801 32.500 0.008 0.000 1.136 4 K HN 0.722 nan 8.250 nan 0.000 0.448 5 D N 0.724 121.165 120.400 0.067 0.000 2.505 5 D HA 0.386 5.026 4.640 -0.000 0.000 0.249 5 D C -1.381 175.075 176.300 0.260 0.000 1.082 5 D CA -0.586 53.522 54.000 0.180 0.000 0.839 5 D CB 1.525 42.481 40.800 0.261 0.000 1.317 5 D HN 0.069 nan 8.370 nan 0.000 0.497 6 V N 3.790 123.812 119.914 0.180 0.000 2.540 6 V HA 0.515 4.635 4.120 -0.000 0.000 0.302 6 V C -0.061 175.988 176.094 -0.076 0.000 1.035 6 V CA -0.781 61.544 62.300 0.042 0.000 0.873 6 V CB 2.000 33.808 31.823 -0.025 0.000 0.992 6 V HN 0.390 nan 8.190 nan 0.000 0.428 7 K N 3.462 123.692 120.400 -0.283 0.000 2.427 7 K HA 0.720 5.040 4.320 -0.000 0.000 0.252 7 K C -1.672 174.684 176.600 -0.408 0.000 0.931 7 K CA -0.443 55.653 56.287 -0.319 0.000 0.793 7 K CB 2.406 34.554 32.500 -0.587 0.000 1.211 7 K HN 0.458 nan 8.250 nan 0.000 0.426 8 F N 0.209 120.116 119.950 -0.072 0.000 2.556 8 F HA 0.428 4.955 4.527 -0.000 0.000 0.327 8 F C 1.436 177.209 175.800 -0.045 0.000 1.059 8 F CA 0.123 58.100 58.000 -0.039 0.000 0.953 8 F CB 1.494 40.480 39.000 -0.023 0.000 1.227 8 F HN 0.813 nan 8.300 nan 0.000 0.478 9 G N 1.745 110.648 108.800 0.173 0.000 2.698 9 G HA2 -0.482 3.478 3.960 -0.000 0.000 0.346 9 G HA3 -0.482 3.478 3.960 -0.000 0.000 0.346 9 G C 1.412 176.332 174.900 0.033 0.000 1.287 9 G CA 1.038 46.190 45.100 0.086 0.000 0.990 9 G HN 0.825 nan 8.290 nan 0.000 0.545 10 N N 1.048 119.763 118.700 0.024 0.000 2.094 10 N HA -0.161 4.579 4.740 -0.000 0.000 0.191 10 N C 1.843 177.341 175.510 -0.020 0.000 1.023 10 N CA 2.407 55.459 53.050 0.002 0.000 0.857 10 N CB -0.348 38.141 38.487 0.003 0.000 1.013 10 N HN 0.597 nan 8.380 nan 0.000 0.426 11 D N 0.155 120.539 120.400 -0.027 0.000 2.149 11 D HA -0.073 4.567 4.640 -0.000 0.000 0.198 11 D C 1.846 178.061 176.300 -0.142 0.000 0.990 11 D CA 1.439 55.392 54.000 -0.079 0.000 0.839 11 D CB -0.169 40.584 40.800 -0.079 0.000 0.948 11 D HN 0.436 nan 8.370 nan 0.000 0.460 12 A N 0.233 122.979 122.820 -0.124 0.000 1.975 12 A HA 0.181 4.501 4.320 -0.000 0.000 0.215 12 A C 2.301 179.850 177.584 -0.059 0.000 1.170 12 A CA 1.364 53.316 52.037 -0.141 0.000 0.656 12 A CB -0.817 18.117 19.000 -0.110 0.000 0.821 12 A HN 0.286 nan 8.150 nan 0.000 0.449 13 G N 0.203 108.983 108.800 -0.033 0.000 2.402 13 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.216 13 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.216 13 G C 1.607 176.500 174.900 -0.011 0.000 1.162 13 G CA 1.796 46.889 45.100 -0.011 0.000 0.777 13 G HN 0.870 nan 8.290 nan 0.000 0.539 14 V N -1.114 118.786 119.914 -0.023 0.000 2.358 14 V HA -0.032 4.088 4.120 -0.000 0.000 0.246 14 V C 2.520 178.608 176.094 -0.010 0.000 1.047 14 V CA 1.933 64.223 62.300 -0.017 0.000 1.035 14 V CB -0.554 31.255 31.823 -0.024 0.000 0.658 14 V HN 0.048 nan 8.190 nan 0.000 0.452 15 K N 0.080 120.467 120.400 -0.023 0.000 2.097 15 K HA 0.027 4.347 4.320 -0.000 0.000 0.206 15 K C 2.181 178.809 176.600 0.047 0.000 1.049 15 K CA 1.957 58.253 56.287 0.015 0.000 0.933 15 K CB -0.553 31.952 32.500 0.008 0.000 0.717 15 K HN 0.553 nan 8.250 nan 0.000 0.442 16 M N -0.075 119.546 119.600 0.036 0.000 2.156 16 M HA -0.137 4.343 4.480 -0.000 0.000 0.264 16 M C 2.131 178.448 176.300 0.027 0.000 1.067 16 M CA 0.969 56.292 55.300 0.039 0.000 1.131 16 M CB -0.286 32.333 32.600 0.032 0.000 1.368 16 M HN 0.001 nan 8.290 nan 0.000 0.416 17 L N 0.652 121.886 121.223 0.018 0.000 2.046 17 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 17 L C 2.391 179.270 176.870 0.015 0.000 1.077 17 L CA 1.902 56.750 54.840 0.014 0.000 0.747 17 L CB -0.514 41.551 42.059 0.009 0.000 0.896 17 L HN 0.162 nan 8.230 nan 0.000 0.432 18 R N -0.950 119.560 120.500 0.017 0.000 2.081 18 R HA -0.074 4.266 4.340 -0.000 0.000 0.235 18 R C 2.232 178.544 176.300 0.020 0.000 1.131 18 R CA 1.158 57.269 56.100 0.017 0.000 0.960 18 R CB -1.048 29.264 30.300 0.020 0.000 0.856 18 R HN 0.539 nan 8.270 nan 0.000 0.436 19 G N 1.027 109.843 108.800 0.027 0.000 2.418 19 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 19 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 19 G C 1.560 176.471 174.900 0.018 0.000 1.158 19 G CA 1.168 46.283 45.100 0.025 0.000 0.771 19 G HN 0.316 nan 8.290 nan 0.000 0.545 20 V N -0.588 119.336 119.914 0.017 0.000 2.515 20 V HA -0.087 4.033 4.120 -0.000 0.000 0.250 20 V C 2.265 178.365 176.094 0.011 0.000 1.058 20 V CA 2.068 64.376 62.300 0.014 0.000 1.064 20 V CB -0.595 31.237 31.823 0.015 0.000 0.675 20 V HN 0.164 nan 8.190 nan 0.000 0.461 21 N N 1.032 119.739 118.700 0.012 0.000 2.188 21 N HA -0.059 4.681 4.740 -0.000 0.000 0.184 21 N C 1.791 177.306 175.510 0.008 0.000 1.018 21 N CA 1.698 54.753 53.050 0.010 0.000 0.858 21 N CB -0.572 37.921 38.487 0.009 0.000 0.989 21 N HN 0.490 nan 8.380 nan 0.000 0.426 22 V N 1.419 121.339 119.914 0.009 0.000 2.343 22 V HA -0.159 3.961 4.120 -0.000 0.000 0.247 22 V C 2.335 178.432 176.094 0.005 0.000 1.051 22 V CA 1.136 63.441 62.300 0.008 0.000 1.036 22 V CB -0.524 31.304 31.823 0.009 0.000 0.654 22 V HN 0.235 nan 8.190 nan 0.000 0.451 23 L N 0.294 121.520 121.223 0.005 0.000 2.023 23 L HA -0.030 4.310 4.340 -0.000 0.000 0.205 23 L C 2.514 179.386 176.870 0.003 0.000 1.073 23 L CA 1.968 56.810 54.840 0.003 0.000 0.745 23 L CB -0.605 41.455 42.059 0.002 0.000 0.900 23 L HN 0.220 nan 8.230 nan 0.000 0.435 24 A N -0.293 122.529 122.820 0.005 0.000 1.883 24 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 24 A C 1.906 179.493 177.584 0.005 0.000 1.186 24 A CA 2.087 54.128 52.037 0.006 0.000 0.624 24 A CB -0.926 18.079 19.000 0.008 0.000 0.822 24 A HN 0.560 nan 8.150 nan 0.000 0.444 25 D N -0.001 120.402 120.400 0.005 0.000 2.117 25 D HA -0.044 4.596 4.640 -0.000 0.000 0.197 25 D C 2.203 178.505 176.300 0.003 0.000 0.987 25 D CA 1.585 55.587 54.000 0.004 0.000 0.829 25 D CB -0.431 40.372 40.800 0.004 0.000 0.961 25 D HN 0.430 nan 8.370 nan 0.000 0.460 26 A N 0.274 123.096 122.820 0.002 0.000 1.930 26 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 26 A C 2.445 180.029 177.584 0.000 0.000 1.175 26 A CA 1.137 53.175 52.037 0.001 0.000 0.627 26 A CB -0.539 18.461 19.000 0.000 0.000 0.815 26 A HN 0.157 nan 8.150 nan 0.000 0.443 27 V N 1.194 121.108 119.914 0.000 0.000 2.346 27 V HA -0.227 3.893 4.120 -0.000 0.000 0.244 27 V C 2.483 178.578 176.094 0.002 0.000 1.037 27 V CA 2.106 64.406 62.300 0.000 0.000 1.029 27 V CB -0.708 31.115 31.823 -0.000 0.000 0.663 27 V HN 0.839 nan 8.190 nan 0.000 0.454 28 K N 1.708 122.110 120.400 0.003 0.000 2.360 28 K HA -0.119 4.201 4.320 -0.000 0.000 0.201 28 K C 1.792 178.394 176.600 0.004 0.000 1.046 28 K CA 1.753 58.042 56.287 0.004 0.000 0.945 28 K CB -0.725 31.779 32.500 0.006 0.000 0.750 28 K HN 0.499 nan 8.250 nan 0.000 0.464 29 V N -0.164 119.751 119.914 0.002 0.000 3.078 29 V HA -0.101 4.019 4.120 -0.000 0.000 0.265 29 V C 1.843 177.937 176.094 0.001 0.000 1.122 29 V CA 1.573 63.874 62.300 0.002 0.000 1.141 29 V CB -1.032 30.791 31.823 0.001 0.000 0.735 29 V HN 0.526 nan 8.190 nan 0.000 0.498 30 T N -1.990 112.564 114.554 0.001 0.000 3.206 30 T HA 0.400 4.750 4.350 -0.000 0.000 0.253 30 T C 0.138 174.838 174.700 0.001 0.000 1.042 30 T CA -0.280 61.820 62.100 -0.000 0.000 0.931 30 T CB -0.082 68.785 68.868 -0.002 0.000 1.029 30 T HN 0.339 nan 8.240 nan 0.000 0.564 31 L N 2.379 123.604 121.223 0.003 0.000 2.305 31 L HA 0.671 5.011 4.340 -0.000 0.000 0.281 31 L C 0.675 177.549 176.870 0.006 0.000 1.085 31 L CA 1.297 56.140 54.840 0.005 0.000 0.813 31 L CB -0.002 42.061 42.059 0.008 0.000 1.157 31 L HN 0.645 nan 8.230 nan 0.000 0.436 32 G N 4.745 113.547 108.800 0.004 0.000 2.757 32 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.638 32 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.638 32 G C -1.958 172.938 174.900 -0.005 0.000 1.344 32 G CA -0.268 44.832 45.100 0.001 0.000 0.855 32 G HN 0.608 nan 8.290 nan 0.000 0.537 33 P HA 0.033 nan 4.420 nan 0.000 0.223 33 P C 0.806 178.096 177.300 -0.016 0.000 1.151 33 P CA 1.135 64.223 63.100 -0.020 0.000 0.787 33 P CB 0.140 31.819 31.700 -0.034 0.000 0.788 34 K N 0.488 120.883 120.400 -0.009 0.000 2.681 34 K HA 0.275 4.595 4.320 -0.000 0.000 0.211 34 K C 0.913 177.513 176.600 -0.000 0.000 1.075 34 K CA -0.259 56.026 56.287 -0.004 0.000 1.141 34 K CB 0.258 32.760 32.500 0.003 0.000 0.896 34 K HN 0.042 nan 8.250 nan 0.000 0.470 35 G N 1.580 110.379 108.800 -0.002 0.000 2.398 35 G HA2 0.074 4.034 3.960 -0.000 0.000 0.246 35 G HA3 0.074 4.034 3.960 -0.000 0.000 0.246 35 G C 0.205 175.103 174.900 -0.002 0.000 1.289 35 G CA -0.371 44.729 45.100 -0.001 0.000 0.869 35 G HN 0.072 nan 8.290 nan 0.000 0.543 36 R N 1.521 122.020 120.500 -0.001 0.000 2.577 36 R HA 0.166 4.506 4.340 -0.000 0.000 0.269 36 R C 0.111 176.409 176.300 -0.003 0.000 1.084 36 R CA -0.552 55.547 56.100 -0.002 0.000 1.163 36 R CB 0.405 30.704 30.300 -0.001 0.000 1.100 36 R HN 0.623 nan 8.270 nan 0.000 0.547 37 N N -0.903 117.795 118.700 -0.004 0.000 2.493 37 N HA 0.322 5.062 4.740 -0.000 0.000 0.275 37 N C -0.988 174.519 175.510 -0.005 0.000 1.186 37 N CA -0.358 52.688 53.050 -0.005 0.000 0.978 37 N CB 1.162 39.645 38.487 -0.007 0.000 1.184 37 N HN 0.105 nan 8.380 nan 0.000 0.487 38 V N 1.503 121.413 119.914 -0.006 0.000 2.577 38 V HA 0.291 4.411 4.120 -0.000 0.000 0.303 38 V C -0.646 175.444 176.094 -0.006 0.000 1.042 38 V CA -0.828 61.468 62.300 -0.005 0.000 0.872 38 V CB 1.865 33.685 31.823 -0.005 0.000 0.998 38 V HN 0.328 nan 8.190 nan 0.000 0.423 39 V N 6.427 126.337 119.914 -0.006 0.000 2.406 39 V HA 0.417 4.537 4.120 -0.000 0.000 0.272 39 V C -0.101 175.989 176.094 -0.007 0.000 1.043 39 V CA -0.334 61.961 62.300 -0.008 0.000 0.915 39 V CB 1.206 33.023 31.823 -0.009 0.000 0.988 39 V HN 0.620 nan 8.190 nan 0.000 0.466 40 L N 3.877 125.096 121.223 -0.007 0.000 2.277 40 L HA 0.433 4.773 4.340 -0.000 0.000 0.284 40 L C 0.004 176.871 176.870 -0.005 0.000 1.028 40 L CA -0.622 54.215 54.840 -0.005 0.000 0.835 40 L CB 1.249 43.305 42.059 -0.005 0.000 1.215 40 L HN 0.538 nan 8.230 nan 0.000 0.425 41 D N 4.165 124.563 120.400 -0.003 0.000 2.451 41 D HA -0.016 4.624 4.640 -0.000 0.000 0.254 41 D C 0.010 176.313 176.300 0.005 0.000 1.204 41 D CA 0.364 54.364 54.000 -0.001 0.000 0.896 41 D CB 0.709 41.511 40.800 0.002 0.000 1.136 41 D HN 0.155 nan 8.370 nan 0.000 0.499 42 K N 2.439 122.841 120.400 0.003 0.000 2.270 42 K HA 0.107 4.427 4.320 -0.000 0.000 0.276 42 K C 1.177 177.803 176.600 0.042 0.000 1.023 42 K CA -0.196 56.101 56.287 0.017 0.000 0.955 42 K CB 1.269 33.770 32.500 0.002 0.000 0.975 42 K HN 0.394 nan 8.250 nan 0.000 0.471 43 S N 1.521 117.263 115.700 0.069 0.000 2.383 43 S HA -0.131 4.339 4.470 -0.000 0.000 0.229 43 S C 0.332 175.049 174.600 0.194 0.000 1.030 43 S CA 1.063 59.322 58.200 0.099 0.000 1.002 43 S CB -0.115 63.136 63.200 0.085 0.000 0.829 43 S HN 0.547 nan 8.310 nan 0.000 0.467 44 F N 0.362 120.308 119.950 -0.005 0.000 2.573 44 F HA 0.578 5.105 4.527 -0.000 0.000 0.316 44 F C 0.261 176.058 175.800 -0.005 0.000 1.148 44 F CA 0.274 58.271 58.000 -0.005 0.000 0.940 44 F CB 0.953 39.950 39.000 -0.005 0.000 1.214 44 F HN 0.304 nan 8.300 nan 0.000 0.448 45 G N 2.809 111.256 108.800 -0.588 0.000 2.512 45 G HA2 0.380 4.340 3.960 -0.000 0.000 0.210 45 G HA3 0.380 4.340 3.960 -0.000 0.000 0.210 45 G C -1.032 173.735 174.900 -0.222 0.000 1.295 45 G CA -0.375 44.427 45.100 -0.497 0.000 0.934 45 G HN 1.526 nan 8.290 nan 0.000 0.554 46 A N 0.966 123.687 122.820 -0.165 0.000 2.388 46 A HA 0.727 5.047 4.320 -0.000 0.000 0.257 46 A C -1.490 176.055 177.584 -0.065 0.000 1.095 46 A CA -0.241 51.738 52.037 -0.097 0.000 0.791 46 A CB -0.158 18.794 19.000 -0.080 0.000 1.029 46 A HN 0.654 nan 8.150 nan 0.000 0.489 47 P HA 0.188 nan 4.420 nan 0.000 0.269 47 P C -0.117 177.168 177.300 -0.024 0.000 1.215 47 P CA 0.151 63.234 63.100 -0.028 0.000 0.780 47 P CB 0.407 32.094 31.700 -0.022 0.000 0.898 48 T N 2.876 117.419 114.554 -0.017 0.000 2.869 48 T HA 0.339 4.689 4.350 -0.000 0.000 0.295 48 T C 0.224 174.916 174.700 -0.013 0.000 0.987 48 T CA -0.030 62.061 62.100 -0.014 0.000 1.109 48 T CB 0.046 68.908 68.868 -0.010 0.000 0.932 48 T HN 0.132 nan 8.240 nan 0.000 0.518 49 I N 4.508 125.070 120.570 -0.013 0.000 2.362 49 I HA 0.404 4.574 4.170 -0.000 0.000 0.289 49 I C 0.560 176.670 176.117 -0.010 0.000 0.994 49 I CA -0.638 60.655 61.300 -0.012 0.000 1.158 49 I CB 0.873 38.866 38.000 -0.013 0.000 1.315 49 I HN 0.734 nan 8.210 nan 0.000 0.451 50 T N 2.283 116.832 114.554 -0.009 0.000 2.896 50 T HA 0.562 4.912 4.350 -0.000 0.000 0.297 50 T C 0.073 174.769 174.700 -0.007 0.000 1.108 50 T CA -0.838 61.258 62.100 -0.008 0.000 1.004 50 T CB 2.815 71.678 68.868 -0.008 0.000 1.159 50 T HN 0.548 nan 8.240 nan 0.000 0.499 51 K N -0.351 120.044 120.400 -0.007 0.000 2.483 51 K HA 0.229 4.549 4.320 -0.000 0.000 0.206 51 K C -0.559 176.038 176.600 -0.005 0.000 1.086 51 K CA -0.365 55.919 56.287 -0.006 0.000 1.052 51 K CB 0.615 33.111 32.500 -0.006 0.000 0.904 51 K HN 0.556 nan 8.250 nan 0.000 0.557 52 D N 0.301 120.697 120.400 -0.006 0.000 2.313 52 D HA 0.134 4.774 4.640 -0.000 0.000 0.239 52 D C 1.123 177.420 176.300 -0.006 0.000 1.142 52 D CA -0.149 53.847 54.000 -0.006 0.000 0.847 52 D CB 1.451 42.246 40.800 -0.007 0.000 1.082 52 D HN 0.173 nan 8.370 nan 0.000 0.480 53 G N 2.574 111.371 108.800 -0.005 0.000 2.440 53 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 53 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 53 G C 1.545 176.440 174.900 -0.008 0.000 1.154 53 G CA 0.937 46.034 45.100 -0.005 0.000 0.767 53 G HN 0.486 nan 8.290 nan 0.000 0.552 54 V N 1.331 121.239 119.914 -0.010 0.000 2.287 54 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 54 V C 3.075 179.160 176.094 -0.015 0.000 1.053 54 V CA 2.293 64.584 62.300 -0.015 0.000 1.027 54 V CB -0.905 30.908 31.823 -0.017 0.000 0.646 54 V HN 0.365 nan 8.190 nan 0.000 0.447 55 S N -0.023 115.670 115.700 -0.012 0.000 2.383 55 S HA -0.157 4.313 4.470 -0.000 0.000 0.229 55 S C 1.987 176.581 174.600 -0.011 0.000 1.030 55 S CA 1.540 59.733 58.200 -0.012 0.000 1.002 55 S CB -0.275 62.919 63.200 -0.010 0.000 0.829 55 S HN 0.420 nan 8.310 nan 0.000 0.467 56 V N 1.946 121.854 119.914 -0.009 0.000 2.323 56 V HA -0.133 3.987 4.120 -0.000 0.000 0.244 56 V C 2.699 178.787 176.094 -0.009 0.000 1.041 56 V CA 1.562 63.858 62.300 -0.008 0.000 1.025 56 V CB -1.296 30.523 31.823 -0.006 0.000 0.656 56 V HN 0.531 nan 8.190 nan 0.000 0.451 57 A N 0.253 123.067 122.820 -0.010 0.000 1.908 57 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 57 A C 2.340 179.915 177.584 -0.015 0.000 1.181 57 A CA 2.031 54.061 52.037 -0.012 0.000 0.627 57 A CB -0.566 18.425 19.000 -0.015 0.000 0.818 57 A HN 0.534 nan 8.150 nan 0.000 0.445 58 R N -0.433 120.057 120.500 -0.016 0.000 2.159 58 R HA -0.107 4.233 4.340 -0.000 0.000 0.237 58 R C 1.508 177.799 176.300 -0.015 0.000 1.131 58 R CA 1.301 57.390 56.100 -0.018 0.000 0.982 58 R CB -0.177 30.111 30.300 -0.019 0.000 0.868 58 R HN 0.513 nan 8.270 nan 0.000 0.453 59 E N 0.306 120.498 120.200 -0.012 0.000 2.435 59 E HA 0.011 4.361 4.350 -0.000 0.000 0.195 59 E C 0.396 176.991 176.600 -0.008 0.000 1.029 59 E CA 0.248 56.643 56.400 -0.009 0.000 0.865 59 E CB 0.248 29.944 29.700 -0.007 0.000 0.833 59 E HN 0.176 nan 8.360 nan 0.000 0.510 60 I N 2.203 122.767 120.570 -0.009 0.000 2.505 60 I HA 0.106 4.276 4.170 -0.000 0.000 0.287 60 I C 0.350 176.461 176.117 -0.009 0.000 1.104 60 I CA 0.360 61.656 61.300 -0.007 0.000 1.387 60 I CB -0.139 37.858 38.000 -0.006 0.000 1.404 60 I HN -0.027 nan 8.210 nan 0.000 0.528 61 E N 6.132 126.327 120.200 -0.007 0.000 2.343 61 E HA 0.461 4.811 4.350 -0.000 0.000 0.286 61 E C -1.831 174.765 176.600 -0.006 0.000 0.915 61 E CA -0.649 55.746 56.400 -0.010 0.000 0.784 61 E CB 1.700 31.393 29.700 -0.013 0.000 1.251 61 E HN 0.276 nan 8.360 nan 0.000 0.407 62 L N 3.099 124.319 121.223 -0.005 0.000 2.352 62 L HA 0.374 4.714 4.340 -0.000 0.000 0.269 62 L C 1.513 178.381 176.870 -0.003 0.000 1.034 62 L CA -0.038 54.802 54.840 0.000 0.000 0.806 62 L CB 1.147 43.211 42.059 0.009 0.000 1.244 62 L HN 0.740 nan 8.230 nan 0.000 0.447 63 E N -0.017 120.185 120.200 0.003 0.000 2.046 63 E HA -0.141 4.209 4.350 -0.000 0.000 0.190 63 E C 0.258 176.861 176.600 0.004 0.000 0.982 63 E CA 0.391 56.792 56.400 0.001 0.000 0.800 63 E CB 0.186 29.890 29.700 0.007 0.000 0.756 63 E HN 0.694 nan 8.360 nan 0.000 0.449 64 D N 0.884 121.297 120.400 0.023 0.000 2.363 64 D HA -0.068 4.572 4.640 -0.000 0.000 0.263 64 D C 0.715 177.029 176.300 0.023 0.000 1.258 64 D CA 0.036 54.065 54.000 0.049 0.000 0.907 64 D CB 0.823 41.672 40.800 0.082 0.000 1.107 64 D HN 0.029 nan 8.370 nan 0.000 0.495 65 K N 3.491 123.867 120.400 -0.040 0.000 2.059 65 K HA -0.208 4.112 4.320 -0.000 0.000 0.212 65 K C 1.883 178.354 176.600 -0.215 0.000 1.050 65 K CA 1.393 57.571 56.287 -0.182 0.000 0.927 65 K CB -0.378 31.915 32.500 -0.346 0.000 0.714 65 K HN 0.518 nan 8.250 nan 0.000 0.447 66 F N 1.442 121.381 119.950 -0.018 0.000 2.163 66 F HA -0.077 4.450 4.527 -0.000 0.000 0.297 66 F C 2.421 178.211 175.800 -0.017 0.000 1.094 66 F CA 1.072 59.059 58.000 -0.022 0.000 1.290 66 F CB -0.392 38.593 39.000 -0.024 0.000 1.017 66 F HN 0.129 nan 8.300 nan 0.000 0.483 67 E N -0.054 120.248 120.200 0.171 0.000 2.110 67 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 67 E C 1.810 178.438 176.600 0.048 0.000 0.988 67 E CA 1.260 57.714 56.400 0.091 0.000 0.804 67 E CB -0.346 29.395 29.700 0.068 0.000 0.745 67 E HN 0.281 nan 8.360 nan 0.000 0.458 68 N N 0.706 119.420 118.700 0.024 0.000 2.166 68 N HA -0.141 4.599 4.740 -0.000 0.000 0.186 68 N C 1.702 177.207 175.510 -0.008 0.000 1.019 68 N CA 1.196 54.244 53.050 -0.003 0.000 0.856 68 N CB 0.012 38.483 38.487 -0.026 0.000 0.993 68 N HN 0.094 nan 8.380 nan 0.000 0.426 69 M N -0.883 118.711 119.600 -0.009 0.000 2.117 69 M HA -0.046 4.434 4.480 -0.000 0.000 0.262 69 M C 2.154 178.462 176.300 0.013 0.000 1.065 69 M CA 1.693 56.988 55.300 -0.009 0.000 1.114 69 M CB -0.578 32.019 32.600 -0.006 0.000 1.361 69 M HN 0.297 nan 8.290 nan 0.000 0.408 70 G N -0.187 108.632 108.800 0.033 0.000 2.418 70 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.217 70 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.217 70 G C 1.616 176.525 174.900 0.016 0.000 1.158 70 G CA 0.927 46.045 45.100 0.029 0.000 0.771 70 G HN 0.540 nan 8.290 nan 0.000 0.545 71 A N 0.057 122.884 122.820 0.012 0.000 1.930 71 A HA -0.025 4.295 4.320 -0.000 0.000 0.217 71 A C 2.369 179.952 177.584 -0.002 0.000 1.175 71 A CA 1.722 53.762 52.037 0.005 0.000 0.627 71 A CB -0.249 18.753 19.000 0.003 0.000 0.815 71 A HN 0.310 nan 8.150 nan 0.000 0.443 72 Q N -0.738 119.058 119.800 -0.006 0.000 2.297 72 Q HA 0.015 4.355 4.340 -0.000 0.000 0.204 72 Q C 2.021 178.014 176.000 -0.011 0.000 0.962 72 Q CA 1.042 56.837 55.803 -0.013 0.000 0.879 72 Q CB -0.397 28.330 28.738 -0.019 0.000 0.947 72 Q HN 0.768 nan 8.270 nan 0.000 0.462 73 M N 0.108 119.706 119.600 -0.004 0.000 2.123 73 M HA -0.107 4.373 4.480 -0.000 0.000 0.263 73 M C 2.186 178.487 176.300 0.001 0.000 1.069 73 M CA 1.274 56.574 55.300 0.000 0.000 1.133 73 M CB -0.251 32.354 32.600 0.009 0.000 1.356 73 M HN 0.095 nan 8.290 nan 0.000 0.415 74 V N -2.341 117.575 119.914 0.004 0.000 2.970 74 V HA -0.080 4.040 4.120 -0.000 0.000 0.260 74 V C 2.099 178.189 176.094 -0.006 0.000 1.100 74 V CA 1.189 63.492 62.300 0.005 0.000 1.122 74 V CB -0.978 30.850 31.823 0.009 0.000 0.721 74 V HN 0.329 nan 8.190 nan 0.000 0.483 75 K N 0.561 120.953 120.400 -0.012 0.000 2.283 75 K HA -0.096 4.224 4.320 -0.000 0.000 0.202 75 K C 2.008 178.585 176.600 -0.038 0.000 1.048 75 K CA 1.002 57.276 56.287 -0.022 0.000 0.948 75 K CB -0.119 32.368 32.500 -0.022 0.000 0.742 75 K HN 0.541 nan 8.250 nan 0.000 0.458 76 E N 0.386 120.564 120.200 -0.037 0.000 2.208 76 E HA -0.086 4.264 4.350 -0.000 0.000 0.193 76 E C 1.969 178.514 176.600 -0.092 0.000 0.988 76 E CA 0.494 56.859 56.400 -0.059 0.000 0.828 76 E CB 0.060 29.738 29.700 -0.036 0.000 0.763 76 E HN 0.058 nan 8.360 nan 0.000 0.478 77 V N 1.506 121.388 119.914 -0.052 0.000 2.270 77 V HA -0.241 3.879 4.120 -0.000 0.000 0.245 77 V C 2.501 178.539 176.094 -0.094 0.000 1.043 77 V CA 1.864 64.138 62.300 -0.044 0.000 1.014 77 V CB -0.968 30.867 31.823 0.019 0.000 0.645 77 V HN 0.226 nan 8.190 nan 0.000 0.447 78 A N 1.111 123.893 122.820 -0.062 0.000 1.883 78 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 78 A C 2.566 180.090 177.584 -0.100 0.000 1.186 78 A CA 2.669 54.670 52.037 -0.060 0.000 0.624 78 A CB -0.957 18.021 19.000 -0.037 0.000 0.822 78 A HN 0.692 nan 8.150 nan 0.000 0.444 79 S N -0.020 115.613 115.700 -0.112 0.000 2.368 79 S HA -0.192 4.278 4.470 -0.000 0.000 0.225 79 S C 1.867 176.346 174.600 -0.201 0.000 1.030 79 S CA 1.550 59.675 58.200 -0.125 0.000 0.999 79 S CB -0.366 62.773 63.200 -0.101 0.000 0.844 79 S HN 0.611 nan 8.310 nan 0.000 0.459 80 K N 1.618 121.815 120.400 -0.338 0.000 2.057 80 K HA 0.159 4.479 4.320 -0.000 0.000 0.206 80 K C 2.577 178.766 176.600 -0.684 0.000 1.050 80 K CA 1.086 56.992 56.287 -0.635 0.000 0.935 80 K CB -0.510 31.335 32.500 -1.092 0.000 0.715 80 K HN 0.469 nan 8.250 nan 0.000 0.439 81 A N 1.671 124.191 122.820 -0.500 0.000 1.969 81 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 81 A C 1.902 179.466 177.584 -0.033 0.000 1.169 81 A CA 1.485 53.461 52.037 -0.102 0.000 0.635 81 A CB -0.629 18.393 19.000 0.037 0.000 0.810 81 A HN 0.368 nan 8.150 nan 0.000 0.445 82 N N -0.506 118.147 118.700 -0.078 0.000 2.188 82 N HA -0.160 4.580 4.740 -0.000 0.000 0.184 82 N C 0.727 176.213 175.510 -0.040 0.000 1.018 82 N CA 1.389 54.414 53.050 -0.042 0.000 0.858 82 N CB -0.097 38.357 38.487 -0.054 0.000 0.989 82 N HN 0.337 nan 8.380 nan 0.000 0.426 83 D N 0.297 120.653 120.400 -0.074 0.000 2.224 83 D HA -0.001 4.639 4.640 -0.000 0.000 0.205 83 D C 1.557 177.864 176.300 0.012 0.000 0.965 83 D CA 0.593 54.558 54.000 -0.058 0.000 0.852 83 D CB -0.001 40.748 40.800 -0.086 0.000 0.947 83 D HN 0.365 nan 8.370 nan 0.000 0.494 84 A N 0.721 123.582 122.820 0.068 0.000 1.878 84 A HA 0.335 4.655 4.320 -0.000 0.000 0.215 84 A C 2.143 179.858 177.584 0.218 0.000 1.310 84 A CA 1.260 53.409 52.037 0.186 0.000 0.612 84 A CB -0.761 18.427 19.000 0.315 0.000 0.989 84 A HN 0.160 nan 8.150 nan 0.000 0.472 85 A N -1.954 120.967 122.820 0.168 0.000 2.016 85 A HA 0.380 4.700 4.320 -0.000 0.000 0.217 85 A C 1.968 179.631 177.584 0.132 0.000 1.162 85 A CA 1.529 53.649 52.037 0.138 0.000 0.662 85 A CB -0.937 18.126 19.000 0.104 0.000 0.812 85 A HN 2.051 nan 8.150 nan 0.000 0.450 86 G N -1.317 107.538 108.800 0.091 0.000 2.148 86 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.254 86 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.254 86 G C -0.108 174.814 174.900 0.037 0.000 0.981 86 G CA 0.844 45.975 45.100 0.051 0.000 0.670 86 G HN 0.928 nan 8.290 nan 0.000 0.528 87 D N -3.084 117.340 120.400 0.041 0.000 2.742 87 D HA 0.565 5.205 4.640 -0.000 0.000 0.262 87 D C 0.722 177.042 176.300 0.034 0.000 1.240 87 D CA 1.225 55.242 54.000 0.030 0.000 0.752 87 D CB 0.156 40.974 40.800 0.030 0.000 1.290 87 D HN 1.439 nan 8.370 nan 0.000 0.420 88 G N 0.513 109.329 108.800 0.025 0.000 2.132 88 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.228 88 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.228 88 G C 1.008 175.925 174.900 0.029 0.000 1.000 88 G CA 1.374 46.492 45.100 0.029 0.000 0.693 88 G HN 0.969 nan 8.290 nan 0.000 0.515 89 T N -2.898 111.666 114.554 0.017 0.000 2.746 89 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 89 T C 2.256 176.962 174.700 0.010 0.000 1.039 89 T CA 2.568 64.672 62.100 0.008 0.000 1.142 89 T CB -0.566 68.297 68.868 -0.008 0.000 0.866 89 T HN 0.343 nan 8.240 nan 0.000 0.444 90 T N 1.771 116.331 114.554 0.009 0.000 2.821 90 T HA -0.066 4.284 4.350 -0.000 0.000 0.267 90 T C 2.208 176.917 174.700 0.015 0.000 1.046 90 T CA 1.741 63.846 62.100 0.009 0.000 1.139 90 T CB -0.882 67.990 68.868 0.007 0.000 0.871 90 T HN 0.497 nan 8.240 nan 0.000 0.454 91 T N 1.925 116.491 114.554 0.019 0.000 2.821 91 T HA 0.018 4.367 4.350 -0.000 0.000 0.267 91 T C 2.414 177.132 174.700 0.030 0.000 1.046 91 T CA 1.077 63.191 62.100 0.023 0.000 1.139 91 T CB -0.470 68.414 68.868 0.026 0.000 0.871 91 T HN 0.435 nan 8.240 nan 0.000 0.454 92 A N 1.298 124.140 122.820 0.037 0.000 1.933 92 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 92 A C 2.532 180.138 177.584 0.037 0.000 1.175 92 A CA 1.955 54.021 52.037 0.049 0.000 0.628 92 A CB -1.124 17.914 19.000 0.064 0.000 0.814 92 A HN 0.474 nan 8.150 nan 0.000 0.444 93 T N -0.028 114.540 114.554 0.024 0.000 2.821 93 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 93 T C 1.953 176.664 174.700 0.018 0.000 1.046 93 T CA 1.738 63.848 62.100 0.018 0.000 1.139 93 T CB -0.622 68.252 68.868 0.009 0.000 0.871 93 T HN 0.634 nan 8.240 nan 0.000 0.454 94 V N -0.115 119.809 119.914 0.018 0.000 2.667 94 V HA 0.069 4.189 4.120 -0.000 0.000 0.252 94 V C 2.169 178.274 176.094 0.018 0.000 1.065 94 V CA 1.179 63.488 62.300 0.016 0.000 1.083 94 V CB -1.017 30.814 31.823 0.014 0.000 0.692 94 V HN 0.400 nan 8.190 nan 0.000 0.468 95 L N 0.571 121.808 121.223 0.023 0.000 2.072 95 L HA 0.083 4.423 4.340 -0.000 0.000 0.205 95 L C 3.050 179.935 176.870 0.025 0.000 1.079 95 L CA 1.454 56.309 54.840 0.024 0.000 0.752 95 L CB -0.842 41.235 42.059 0.030 0.000 0.906 95 L HN 0.399 nan 8.230 nan 0.000 0.436 96 A N -0.327 122.511 122.820 0.029 0.000 1.865 96 A HA -0.310 4.010 4.320 -0.000 0.000 0.217 96 A C 2.253 179.850 177.584 0.022 0.000 1.191 96 A CA 2.029 54.084 52.037 0.029 0.000 0.623 96 A CB -0.737 18.282 19.000 0.032 0.000 0.826 96 A HN 0.488 nan 8.150 nan 0.000 0.444 97 Q N -0.541 119.270 119.800 0.019 0.000 2.096 97 Q HA -0.189 4.151 4.340 -0.000 0.000 0.204 97 Q C 2.181 178.190 176.000 0.014 0.000 0.982 97 Q CA 1.882 57.694 55.803 0.015 0.000 0.850 97 Q CB -0.365 28.381 28.738 0.013 0.000 0.901 97 Q HN 0.606 nan 8.270 nan 0.000 0.422 98 A N 0.735 123.563 122.820 0.014 0.000 1.902 98 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 98 A C 1.979 179.571 177.584 0.013 0.000 1.181 98 A CA 1.425 53.470 52.037 0.013 0.000 0.623 98 A CB -0.600 18.408 19.000 0.013 0.000 0.818 98 A HN 0.493 nan 8.150 nan 0.000 0.443 99 I N -0.581 119.998 120.570 0.015 0.000 2.286 99 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 99 I C 2.248 178.373 176.117 0.014 0.000 1.104 99 I CA 1.098 62.407 61.300 0.015 0.000 1.397 99 I CB -0.316 37.694 38.000 0.017 0.000 1.072 99 I HN 0.279 nan 8.210 nan 0.000 0.417 100 I N 0.358 120.938 120.570 0.016 0.000 2.252 100 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 100 I C 2.566 178.690 176.117 0.013 0.000 1.102 100 I CA 1.385 62.694 61.300 0.015 0.000 1.385 100 I CB -0.556 37.454 38.000 0.017 0.000 1.064 100 I HN 0.216 nan 8.210 nan 0.000 0.414 101 T N 0.378 114.939 114.554 0.012 0.000 2.622 101 T HA -0.170 4.180 4.350 -0.000 0.000 0.266 101 T C 1.798 176.503 174.700 0.009 0.000 1.047 101 T CA 1.360 63.466 62.100 0.010 0.000 1.159 101 T CB -0.199 68.675 68.868 0.009 0.000 0.863 101 T HN 0.279 nan 8.240 nan 0.000 0.422 102 E N 0.594 120.800 120.200 0.009 0.000 2.208 102 E HA 0.011 4.361 4.350 -0.000 0.000 0.193 102 E C 2.451 179.056 176.600 0.008 0.000 0.988 102 E CA 0.818 57.223 56.400 0.008 0.000 0.828 102 E CB -0.707 28.998 29.700 0.008 0.000 0.763 102 E HN 0.581 nan 8.360 nan 0.000 0.478 103 G N 1.329 110.135 108.800 0.010 0.000 2.414 103 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.215 103 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.215 103 G C 1.716 176.622 174.900 0.010 0.000 1.188 103 G CA 0.305 45.411 45.100 0.010 0.000 0.783 103 G HN 0.172 nan 8.290 nan 0.000 0.537 104 L N -0.061 121.168 121.223 0.010 0.000 2.131 104 L HA -0.036 4.304 4.340 -0.000 0.000 0.210 104 L C 2.910 179.784 176.870 0.008 0.000 1.092 104 L CA 1.074 55.920 54.840 0.009 0.000 0.759 104 L CB -0.287 41.777 42.059 0.009 0.000 0.903 104 L HN 0.191 nan 8.230 nan 0.000 0.435 105 K N 0.093 120.497 120.400 0.007 0.000 2.097 105 K HA -0.106 4.214 4.320 -0.000 0.000 0.205 105 K C 2.234 178.837 176.600 0.005 0.000 1.050 105 K CA 1.253 57.543 56.287 0.005 0.000 0.938 105 K CB -0.163 32.340 32.500 0.005 0.000 0.718 105 K HN 0.274 nan 8.250 nan 0.000 0.442 106 A N 0.762 123.586 122.820 0.006 0.000 1.968 106 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 106 A C 2.274 179.862 177.584 0.007 0.000 1.169 106 A CA 1.074 53.114 52.037 0.006 0.000 0.638 106 A CB -0.411 18.593 19.000 0.007 0.000 0.812 106 A HN 0.053 nan 8.150 nan 0.000 0.446 107 V N -0.093 119.826 119.914 0.008 0.000 2.307 107 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 107 V C 3.022 179.120 176.094 0.008 0.000 1.045 107 V CA 1.881 64.186 62.300 0.009 0.000 1.024 107 V CB -1.195 30.635 31.823 0.011 0.000 0.651 107 V HN 0.581 nan 8.190 nan 0.000 0.449 108 A N -0.097 122.727 122.820 0.007 0.000 2.019 108 A HA -0.016 4.304 4.320 -0.000 0.000 0.219 108 A C 2.262 179.848 177.584 0.004 0.000 1.164 108 A CA 1.728 53.768 52.037 0.005 0.000 0.644 108 A CB -0.543 18.459 19.000 0.004 0.000 0.805 108 A HN 0.582 nan 8.150 nan 0.000 0.449 109 A N -2.164 120.659 122.820 0.004 0.000 2.167 109 A HA 0.399 4.719 4.320 -0.000 0.000 0.214 109 A C 1.805 179.391 177.584 0.003 0.000 1.151 109 A CA 1.425 53.464 52.037 0.003 0.000 0.735 109 A CB -0.561 18.441 19.000 0.003 0.000 0.802 109 A HN 1.728 nan 8.150 nan 0.000 0.467 110 G N -2.586 106.216 108.800 0.004 0.000 2.255 110 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.196 110 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.196 110 G C 0.187 175.090 174.900 0.005 0.000 0.998 110 G CA 0.077 45.179 45.100 0.004 0.000 0.656 110 G HN 0.268 nan 8.290 nan 0.000 0.490 111 M N 1.579 121.183 119.600 0.006 0.000 2.247 111 M HA 0.217 4.697 4.480 -0.000 0.000 0.318 111 M C 0.795 177.099 176.300 0.008 0.000 1.054 111 M CA 0.129 55.433 55.300 0.006 0.000 1.117 111 M CB 0.254 32.858 32.600 0.006 0.000 1.515 111 M HN 0.279 nan 8.290 nan 0.000 0.442 112 N N 2.993 121.697 118.700 0.008 0.000 2.411 112 N HA 0.124 4.864 4.740 -0.000 0.000 0.259 112 N C -2.170 173.347 175.510 0.010 0.000 1.103 112 N CA -1.379 51.677 53.050 0.009 0.000 0.954 112 N CB 1.098 39.590 38.487 0.008 0.000 1.085 112 N HN 0.286 nan 8.380 nan 0.000 0.485 113 P HA -0.166 nan 4.420 nan 0.000 0.216 113 P C 1.691 178.999 177.300 0.013 0.000 1.157 113 P CA 1.494 64.602 63.100 0.014 0.000 0.880 113 P CB 0.226 31.936 31.700 0.017 0.000 0.791 114 M N -1.037 118.570 119.600 0.013 0.000 2.117 114 M HA -0.133 4.347 4.480 -0.000 0.000 0.262 114 M C 1.610 177.915 176.300 0.009 0.000 1.065 114 M CA 1.703 57.010 55.300 0.012 0.000 1.114 114 M CB -1.790 30.817 32.600 0.012 0.000 1.361 114 M HN -0.023 nan 8.290 nan 0.000 0.408 115 D N 0.628 121.033 120.400 0.009 0.000 2.117 115 D HA -0.073 4.567 4.640 -0.000 0.000 0.197 115 D C 2.342 178.646 176.300 0.007 0.000 0.987 115 D CA 1.006 55.010 54.000 0.007 0.000 0.829 115 D CB -0.231 40.573 40.800 0.006 0.000 0.961 115 D HN 0.307 nan 8.370 nan 0.000 0.460 116 L N 0.798 122.025 121.223 0.008 0.000 1.989 116 L HA -0.216 4.124 4.340 -0.000 0.000 0.211 116 L C 2.573 179.448 176.870 0.008 0.000 1.071 116 L CA 1.370 56.215 54.840 0.008 0.000 0.749 116 L CB -0.433 41.632 42.059 0.009 0.000 0.890 116 L HN 0.017 nan 8.230 nan 0.000 0.431 117 K N 0.229 120.635 120.400 0.009 0.000 2.032 117 K HA -0.225 4.095 4.320 -0.000 0.000 0.209 117 K C 2.313 178.917 176.600 0.007 0.000 1.048 117 K CA 1.498 57.790 56.287 0.009 0.000 0.927 117 K CB -0.047 32.459 32.500 0.011 0.000 0.712 117 K HN 0.177 nan 8.250 nan 0.000 0.441 118 R N -0.482 120.021 120.500 0.006 0.000 2.091 118 R HA -0.111 4.229 4.340 -0.000 0.000 0.238 118 R C 2.461 178.763 176.300 0.003 0.000 1.136 118 R CA 1.474 57.576 56.100 0.004 0.000 0.959 118 R CB -0.509 29.794 30.300 0.005 0.000 0.856 118 R HN 0.432 nan 8.270 nan 0.000 0.437 119 G N 0.999 109.801 108.800 0.004 0.000 2.418 119 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 119 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 119 G C 1.452 176.353 174.900 0.003 0.000 1.158 119 G CA 0.541 45.643 45.100 0.004 0.000 0.771 119 G HN 0.167 nan 8.290 nan 0.000 0.545 120 I N 1.122 121.695 120.570 0.004 0.000 2.179 120 I HA -0.146 4.024 4.170 -0.000 0.000 0.242 120 I C 2.267 178.385 176.117 0.001 0.000 1.088 120 I CA 1.264 62.567 61.300 0.004 0.000 1.357 120 I CB -0.232 37.772 38.000 0.007 0.000 1.051 120 I HN 0.051 nan 8.210 nan 0.000 0.409 121 D N 0.891 121.291 120.400 0.000 0.000 2.149 121 D HA -0.216 4.424 4.640 -0.000 0.000 0.198 121 D C 2.060 178.357 176.300 -0.006 0.000 0.990 121 D CA 1.214 55.211 54.000 -0.004 0.000 0.839 121 D CB -0.250 40.548 40.800 -0.003 0.000 0.948 121 D HN 0.319 nan 8.370 nan 0.000 0.460 122 K N 0.655 121.053 120.400 -0.003 0.000 2.057 122 K HA -0.058 4.262 4.320 -0.000 0.000 0.206 122 K C 2.015 178.613 176.600 -0.003 0.000 1.050 122 K CA 1.136 57.422 56.287 -0.003 0.000 0.935 122 K CB 0.007 32.506 32.500 -0.001 0.000 0.715 122 K HN 0.015 nan 8.250 nan 0.000 0.439 123 A N 0.575 123.395 122.820 -0.001 0.000 1.930 123 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 123 A C 2.160 179.742 177.584 -0.003 0.000 1.175 123 A CA 1.466 53.502 52.037 -0.001 0.000 0.627 123 A CB -0.442 18.559 19.000 0.002 0.000 0.815 123 A HN 0.175 nan 8.150 nan 0.000 0.443 124 V N 0.595 120.505 119.914 -0.006 0.000 2.453 124 V HA -0.203 3.917 4.120 -0.000 0.000 0.247 124 V C 2.962 179.046 176.094 -0.016 0.000 1.048 124 V CA 2.302 64.595 62.300 -0.012 0.000 1.049 124 V CB -1.388 30.425 31.823 -0.017 0.000 0.672 124 V HN 0.835 nan 8.190 nan 0.000 0.457 125 T N -1.614 112.930 114.554 -0.015 0.000 2.777 125 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 125 T C 1.803 176.496 174.700 -0.012 0.000 1.040 125 T CA 1.629 63.719 62.100 -0.016 0.000 1.141 125 T CB -0.551 68.309 68.868 -0.014 0.000 0.868 125 T HN 0.250 nan 8.240 nan 0.000 0.444 126 V N 1.964 121.873 119.914 -0.007 0.000 2.548 126 V HA 0.055 4.175 4.120 -0.000 0.000 0.249 126 V C 3.198 179.289 176.094 -0.004 0.000 1.055 126 V CA 1.249 63.546 62.300 -0.004 0.000 1.065 126 V CB -1.340 30.482 31.823 -0.002 0.000 0.681 126 V HN 0.686 nan 8.190 nan 0.000 0.462 127 A N 0.891 123.708 122.820 -0.005 0.000 1.873 127 A HA -0.123 4.197 4.320 -0.000 0.000 0.215 127 A C 2.402 179.983 177.584 -0.005 0.000 1.186 127 A CA 1.975 54.010 52.037 -0.003 0.000 0.616 127 A CB -0.711 18.288 19.000 -0.002 0.000 0.823 127 A HN 0.564 nan 8.150 nan 0.000 0.442 128 V N -0.245 119.662 119.914 -0.012 0.000 2.407 128 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 128 V C 2.137 178.224 176.094 -0.011 0.000 1.055 128 V CA 2.306 64.597 62.300 -0.015 0.000 1.049 128 V CB -1.344 30.463 31.823 -0.026 0.000 0.662 128 V HN 0.801 nan 8.190 nan 0.000 0.455 129 E N 1.046 121.241 120.200 -0.009 0.000 2.152 129 E HA -0.265 4.085 4.350 -0.000 0.000 0.192 129 E C 2.061 178.660 176.600 -0.003 0.000 0.983 129 E CA 1.380 57.776 56.400 -0.007 0.000 0.818 129 E CB -0.381 29.316 29.700 -0.006 0.000 0.758 129 E HN 0.642 nan 8.360 nan 0.000 0.467 130 E N 0.943 121.142 120.200 -0.002 0.000 2.152 130 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 130 E C 1.885 178.487 176.600 0.003 0.000 0.983 130 E CA 0.473 56.874 56.400 0.002 0.000 0.818 130 E CB -0.127 29.575 29.700 0.003 0.000 0.758 130 E HN 0.328 nan 8.360 nan 0.000 0.467 131 L N 0.383 121.606 121.223 0.001 0.000 2.109 131 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 131 L C 1.719 178.590 176.870 0.001 0.000 1.086 131 L CA 1.580 56.422 54.840 0.002 0.000 0.760 131 L CB -0.244 41.815 42.059 -0.000 0.000 0.910 131 L HN -0.051 nan 8.230 nan 0.000 0.437 132 K N -0.123 120.275 120.400 -0.002 0.000 2.097 132 K HA 0.021 4.341 4.320 -0.000 0.000 0.205 132 K C 2.126 178.726 176.600 -0.000 0.000 1.050 132 K CA 1.278 57.563 56.287 -0.003 0.000 0.938 132 K CB -0.817 31.680 32.500 -0.005 0.000 0.718 132 K HN 0.415 nan 8.250 nan 0.000 0.442 133 A N 1.510 124.330 122.820 0.001 0.000 1.908 133 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 133 A C 2.230 179.818 177.584 0.005 0.000 1.181 133 A CA 1.294 53.333 52.037 0.003 0.000 0.627 133 A CB -0.633 18.369 19.000 0.004 0.000 0.818 133 A HN 0.215 nan 8.150 nan 0.000 0.445 134 L N -0.411 120.816 121.223 0.007 0.000 2.395 134 L HA -0.002 4.338 4.340 -0.000 0.000 0.218 134 L C 1.784 178.660 176.870 0.009 0.000 1.130 134 L CA 0.238 55.084 54.840 0.010 0.000 0.826 134 L CB -0.534 41.532 42.059 0.013 0.000 0.941 134 L HN 0.404 nan 8.230 nan 0.000 0.451 139 S N 0.143 115.840 115.700 -0.006 0.000 2.517 139 S HA 0.037 4.507 4.470 -0.000 0.000 0.228 139 S C 0.402 175.000 174.600 -0.004 0.000 1.060 139 S CA 0.360 58.557 58.200 -0.005 0.000 0.937 139 S CB 0.001 63.198 63.200 -0.004 0.000 0.840 139 S HN 0.834 nan 8.310 nan 0.000 0.546 140 D N 0.911 121.309 120.400 -0.003 0.000 2.399 140 D HA 0.237 4.877 4.640 -0.000 0.000 0.241 140 D C 0.807 177.105 176.300 -0.002 0.000 1.133 140 D CA 0.120 54.119 54.000 -0.002 0.000 0.890 140 D CB 0.882 41.681 40.800 -0.001 0.000 1.201 140 D HN -0.034 nan 8.370 nan 0.000 0.432 141 S N 1.587 117.286 115.700 -0.002 0.000 2.420 141 S HA -0.197 4.273 4.470 -0.000 0.000 0.237 141 S C 1.553 176.152 174.600 -0.001 0.000 1.023 141 S CA 1.073 59.272 58.200 -0.002 0.000 0.991 141 S CB -0.118 63.081 63.200 -0.001 0.000 0.792 141 S HN 0.478 nan 8.310 nan 0.000 0.488 142 K N 1.425 121.824 120.400 -0.001 0.000 2.057 142 K HA 0.003 4.323 4.320 -0.000 0.000 0.207 142 K C 2.472 179.071 176.600 -0.001 0.000 1.049 142 K CA 1.237 57.523 56.287 -0.001 0.000 0.931 142 K CB -0.328 32.172 32.500 -0.000 0.000 0.714 142 K HN 0.344 nan 8.250 nan 0.000 0.440 143 A N 1.214 124.033 122.820 -0.002 0.000 1.898 143 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 143 A C 2.093 179.674 177.584 -0.004 0.000 1.181 143 A CA 1.340 53.375 52.037 -0.003 0.000 0.620 143 A CB -0.456 18.541 19.000 -0.004 0.000 0.819 143 A HN 0.104 nan 8.150 nan 0.000 0.442 144 I N 0.212 120.779 120.570 -0.005 0.000 2.179 144 I HA -0.219 3.951 4.170 -0.000 0.000 0.242 144 I C 2.868 178.983 176.117 -0.004 0.000 1.088 144 I CA 1.435 62.732 61.300 -0.005 0.000 1.357 144 I CB -0.578 37.420 38.000 -0.005 0.000 1.051 144 I HN 0.305 nan 8.210 nan 0.000 0.409 145 A N -0.716 122.103 122.820 -0.002 0.000 1.898 145 A HA -0.255 4.065 4.320 -0.000 0.000 0.216 145 A C 2.327 179.910 177.584 -0.001 0.000 1.181 145 A CA 1.689 53.726 52.037 -0.001 0.000 0.620 145 A CB -0.702 18.298 19.000 -0.001 0.000 0.819 145 A HN 0.490 nan 8.150 nan 0.000 0.442 146 Q N -0.379 119.420 119.800 -0.001 0.000 2.020 146 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 146 Q C 1.958 177.957 176.000 -0.002 0.000 0.982 146 Q CA 2.082 57.884 55.803 -0.001 0.000 0.838 146 Q CB -0.199 28.538 28.738 -0.001 0.000 0.899 146 Q HN 0.408 nan 8.270 nan 0.000 0.423 147 V N 0.044 119.956 119.914 -0.003 0.000 2.515 147 V HA -0.171 3.949 4.120 -0.000 0.000 0.250 147 V C 2.155 178.248 176.094 -0.003 0.000 1.058 147 V CA 1.706 64.004 62.300 -0.004 0.000 1.064 147 V CB -0.966 30.852 31.823 -0.008 0.000 0.675 147 V HN 0.600 nan 8.190 nan 0.000 0.461 148 G N 0.604 109.403 108.800 -0.002 0.000 2.402 148 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.216 148 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.216 148 G C 1.807 176.708 174.900 0.003 0.000 1.162 148 G CA 1.647 46.748 45.100 0.001 0.000 0.777 148 G HN 0.568 nan 8.290 nan 0.000 0.539 149 T N 0.037 114.592 114.554 0.001 0.000 2.737 149 T HA -0.019 4.331 4.350 -0.000 0.000 0.265 149 T C 2.400 177.101 174.700 0.001 0.000 1.038 149 T CA 1.129 63.230 62.100 0.001 0.000 1.144 149 T CB -0.329 68.538 68.868 -0.001 0.000 0.866 149 T HN 0.238 nan 8.240 nan 0.000 0.434 150 I N 1.762 122.332 120.570 0.001 0.000 2.163 150 I HA -0.178 3.992 4.170 -0.000 0.000 0.243 150 I C 2.898 179.017 176.117 0.004 0.000 1.085 150 I CA 1.531 62.832 61.300 0.001 0.000 1.347 150 I CB -0.528 37.472 38.000 0.001 0.000 1.044 150 I HN 0.275 nan 8.210 nan 0.000 0.408 151 S N 0.596 116.300 115.700 0.006 0.000 2.447 151 S HA -0.017 4.453 4.470 -0.000 0.000 0.233 151 S C 1.758 176.366 174.600 0.013 0.000 1.006 151 S CA 1.046 59.253 58.200 0.011 0.000 0.957 151 S CB -0.180 63.027 63.200 0.013 0.000 0.773 151 S HN 0.527 nan 8.310 nan 0.000 0.507 152 A N 1.039 123.864 122.820 0.009 0.000 2.370 152 A HA 0.404 4.724 4.320 -0.000 0.000 0.238 152 A C 0.586 178.172 177.584 0.004 0.000 1.289 152 A CA -0.277 51.764 52.037 0.007 0.000 0.885 152 A CB -0.701 18.303 19.000 0.006 0.000 0.961 152 A HN 0.483 nan 8.150 nan 0.000 0.499 153 N N -0.666 118.035 118.700 0.003 0.000 2.771 153 N HA -0.200 4.540 4.740 -0.000 0.000 0.249 153 N C 0.218 175.725 175.510 -0.004 0.000 1.069 153 N CA 0.771 53.821 53.050 -0.001 0.000 0.688 153 N CB -1.642 36.844 38.487 -0.002 0.000 0.928 153 N HN 0.372 nan 8.380 nan 0.000 0.551 154 S N -1.171 114.527 115.700 -0.003 0.000 3.445 154 S HA -0.249 4.221 4.470 -0.000 0.000 0.319 154 S C -0.300 174.297 174.600 -0.004 0.000 1.209 154 S CA 1.041 59.238 58.200 -0.005 0.000 0.934 154 S CB -0.780 62.415 63.200 -0.008 0.000 0.999 154 S HN 0.706 nan 8.310 nan 0.000 0.582 155 D N 1.194 121.593 120.400 -0.003 0.000 2.365 155 D HA 0.141 4.781 4.640 -0.000 0.000 0.237 155 D C 1.263 177.562 176.300 -0.001 0.000 1.190 155 D CA -0.302 53.697 54.000 -0.002 0.000 0.867 155 D CB 0.620 41.419 40.800 -0.001 0.000 1.050 155 D HN 0.228 nan 8.370 nan 0.000 0.491 156 E N 2.075 122.274 120.200 -0.002 0.000 2.110 156 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 156 E C 1.696 178.295 176.600 -0.001 0.000 0.988 156 E CA 1.050 57.449 56.400 -0.002 0.000 0.804 156 E CB -0.228 29.471 29.700 -0.002 0.000 0.745 156 E HN 0.512 nan 8.360 nan 0.000 0.458 157 T N 1.768 116.321 114.554 -0.001 0.000 2.622 157 T HA -0.125 4.224 4.350 -0.000 0.000 0.266 157 T C 2.248 176.948 174.700 0.001 0.000 1.047 157 T CA 1.730 63.829 62.100 -0.000 0.000 1.159 157 T CB -0.441 68.427 68.868 -0.001 0.000 0.863 157 T HN -0.012 nan 8.240 nan 0.000 0.422 158 V N 1.502 121.416 119.914 0.001 0.000 2.343 158 V HA -0.113 4.007 4.120 -0.000 0.000 0.247 158 V C 2.900 178.996 176.094 0.003 0.000 1.051 158 V CA 1.946 64.247 62.300 0.003 0.000 1.036 158 V CB -1.467 30.358 31.823 0.004 0.000 0.654 158 V HN 0.630 nan 8.190 nan 0.000 0.451 159 G N -0.553 108.248 108.800 0.002 0.000 2.422 159 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.218 159 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.218 159 G C 1.656 176.557 174.900 0.001 0.000 1.146 159 G CA 1.018 46.119 45.100 0.002 0.000 0.769 159 G HN 0.489 nan 8.290 nan 0.000 0.547 160 K N 0.045 120.445 120.400 0.001 0.000 2.057 160 K HA 0.089 4.409 4.320 -0.000 0.000 0.206 160 K C 2.522 179.123 176.600 0.001 0.000 1.050 160 K CA 0.592 56.879 56.287 0.001 0.000 0.935 160 K CB -0.260 32.240 32.500 0.000 0.000 0.715 160 K HN 0.331 nan 8.250 nan 0.000 0.439 161 L N 1.009 122.233 121.223 0.002 0.000 2.042 161 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 161 L C 2.393 179.265 176.870 0.003 0.000 1.076 161 L CA 1.224 56.065 54.840 0.002 0.000 0.749 161 L CB -0.360 41.701 42.059 0.003 0.000 0.893 161 L HN 0.229 nan 8.230 nan 0.000 0.432 162 I N -0.406 120.167 120.570 0.004 0.000 2.493 162 I HA -0.238 3.932 4.170 -0.000 0.000 0.254 162 I C 2.675 178.793 176.117 0.002 0.000 1.160 162 I CA 0.964 62.266 61.300 0.004 0.000 1.445 162 I CB -0.407 37.595 38.000 0.004 0.000 1.086 162 I HN 0.198 nan 8.210 nan 0.000 0.433 163 A N 0.368 123.189 122.820 0.001 0.000 1.930 163 A HA -0.109 4.211 4.320 -0.000 0.000 0.215 163 A C 2.230 179.815 177.584 0.001 0.000 1.176 163 A CA 0.980 53.017 52.037 0.000 0.000 0.632 163 A CB -0.231 18.769 19.000 -0.000 0.000 0.819 163 A HN 0.285 nan 8.150 nan 0.000 0.445 164 E N 0.353 120.554 120.200 0.001 0.000 2.047 164 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 164 E C 2.357 178.958 176.600 0.002 0.000 0.987 164 E CA 1.271 57.672 56.400 0.001 0.000 0.799 164 E CB -0.664 29.037 29.700 0.002 0.000 0.752 164 E HN 0.550 nan 8.360 nan 0.000 0.449 165 A N 1.466 124.287 122.820 0.003 0.000 1.877 165 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 165 A C 2.263 179.849 177.584 0.003 0.000 1.186 165 A CA 1.534 53.573 52.037 0.004 0.000 0.620 165 A CB -0.550 18.453 19.000 0.005 0.000 0.822 165 A HN 0.152 nan 8.150 nan 0.000 0.443 166 M N -0.959 118.642 119.600 0.002 0.000 2.549 166 M HA -0.106 4.374 4.480 -0.000 0.000 0.260 166 M C 1.457 177.757 176.300 0.001 0.000 1.076 166 M CA 1.528 56.828 55.300 0.001 0.000 1.090 166 M CB -0.352 32.248 32.600 -0.000 0.000 1.418 166 M HN 0.551 nan 8.290 nan 0.000 0.486 167 D N 0.176 120.577 120.400 0.001 0.000 2.240 167 D HA -0.091 4.549 4.640 -0.000 0.000 0.206 167 D C 1.911 178.211 176.300 0.001 0.000 0.963 167 D CA 0.900 54.901 54.000 0.001 0.000 0.863 167 D CB 0.416 41.217 40.800 0.001 0.000 0.973 167 D HN -0.052 nan 8.370 nan 0.000 0.501 168 K N -0.071 120.330 120.400 0.002 0.000 2.020 168 K HA 0.007 4.327 4.320 -0.000 0.000 0.206 168 K C 1.765 178.366 176.600 0.002 0.000 1.038 168 K CA 1.444 57.732 56.287 0.002 0.000 0.947 168 K CB -0.299 32.202 32.500 0.002 0.000 0.744 168 K HN 0.124 nan 8.250 nan 0.000 0.442 169 V N -2.105 117.811 119.914 0.003 0.000 3.649 169 V HA 0.411 4.531 4.120 -0.000 0.000 0.275 169 V C 0.619 176.714 176.094 0.003 0.000 1.281 169 V CA 0.115 62.417 62.300 0.004 0.000 1.143 169 V CB -0.880 30.946 31.823 0.005 0.000 0.892 169 V HN 0.385 nan 8.190 nan 0.000 0.441 170 G N 1.982 110.783 108.800 0.002 0.000 2.712 170 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.686 170 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.686 170 G C 0.184 175.084 174.900 0.000 0.000 1.321 170 G CA -0.062 45.038 45.100 0.001 0.000 0.813 170 G HN 0.756 nan 8.290 nan 0.000 0.599 171 K N -0.471 119.928 120.400 -0.002 0.000 2.365 171 K HA 0.063 4.383 4.320 -0.000 0.000 0.199 171 K C 1.100 177.698 176.600 -0.003 0.000 1.045 171 K CA 1.744 58.029 56.287 -0.003 0.000 0.962 171 K CB 0.219 32.715 32.500 -0.006 0.000 0.759 171 K HN 0.411 nan 8.250 nan 0.000 0.469 172 E N 1.234 121.433 120.200 -0.002 0.000 2.481 172 E HA 0.099 4.449 4.350 -0.000 0.000 0.198 172 E C 0.900 177.502 176.600 0.003 0.000 1.027 172 E CA 0.159 56.558 56.400 -0.001 0.000 0.900 172 E CB 0.723 30.421 29.700 -0.004 0.000 0.993 172 E HN 0.422 nan 8.360 nan 0.000 0.482 173 G N 1.035 109.838 108.800 0.004 0.000 2.653 173 G HA2 0.280 4.240 3.960 -0.000 0.000 0.265 173 G HA3 0.280 4.240 3.960 -0.000 0.000 0.265 173 G C 0.100 175.007 174.900 0.011 0.000 1.237 173 G CA -0.474 44.631 45.100 0.007 0.000 0.946 173 G HN -0.039 nan 8.290 nan 0.000 0.522 174 V N 0.347 120.269 119.914 0.014 0.000 2.546 174 V HA 0.447 4.567 4.120 -0.000 0.000 0.284 174 V C 0.159 176.262 176.094 0.015 0.000 1.050 174 V CA -0.045 62.266 62.300 0.017 0.000 0.981 174 V CB 0.866 32.701 31.823 0.020 0.000 0.990 174 V HN 0.446 nan 8.190 nan 0.000 0.474 175 I N 4.193 124.773 120.570 0.016 0.000 2.534 175 I HA 0.500 4.670 4.170 -0.000 0.000 0.288 175 I C -0.069 176.056 176.117 0.014 0.000 1.077 175 I CA -0.297 61.012 61.300 0.014 0.000 1.051 175 I CB 2.508 40.516 38.000 0.014 0.000 1.234 175 I HN 0.743 nan 8.210 nan 0.000 0.425 176 T N 2.477 117.037 114.554 0.010 0.000 2.930 176 T HA 0.844 5.194 4.350 -0.000 0.000 0.290 176 T C -0.638 174.065 174.700 0.005 0.000 1.052 176 T CA -0.848 61.257 62.100 0.007 0.000 1.017 176 T CB 2.402 71.272 68.868 0.004 0.000 1.137 176 T HN 0.205 nan 8.240 nan 0.000 0.511 177 V N 1.873 121.788 119.914 0.002 0.000 2.709 177 V HA 0.742 4.862 4.120 -0.000 0.000 0.308 177 V C -0.543 175.549 176.094 -0.002 0.000 1.062 177 V CA -0.784 61.517 62.300 0.001 0.000 0.901 177 V CB 1.494 33.319 31.823 0.003 0.000 1.003 177 V HN 1.176 nan 8.190 nan 0.000 0.425 178 E N 1.535 121.734 120.200 -0.002 0.000 2.454 178 E HA 0.413 4.763 4.350 -0.000 0.000 0.279 178 E C -1.826 174.772 176.600 -0.003 0.000 1.029 178 E CA -0.985 55.413 56.400 -0.004 0.000 0.831 178 E CB 1.683 31.381 29.700 -0.005 0.000 1.405 178 E HN 0.463 nan 8.360 nan 0.000 0.463 179 D N 0.622 121.019 120.400 -0.004 0.000 2.423 179 D HA 0.254 4.894 4.640 -0.000 0.000 0.238 179 D C 0.155 176.453 176.300 -0.003 0.000 1.142 179 D CA 0.375 54.373 54.000 -0.004 0.000 0.884 179 D CB 0.918 41.715 40.800 -0.005 0.000 1.199 179 D HN 0.527 nan 8.370 nan 0.000 0.438 180 G N -0.042 108.756 108.800 -0.003 0.000 2.390 180 G HA2 0.284 4.244 3.960 -0.000 0.000 0.270 180 G HA3 0.284 4.244 3.960 -0.000 0.000 0.270 180 G C 1.185 176.083 174.900 -0.003 0.000 1.211 180 G CA -0.377 44.722 45.100 -0.003 0.000 0.842 180 G HN 0.415 nan 8.290 nan 0.000 0.519 181 T N 0.558 115.110 114.554 -0.003 0.000 2.701 181 T HA 0.015 4.365 4.350 -0.000 0.000 0.263 181 T C 1.661 176.359 174.700 -0.003 0.000 1.040 181 T CA 1.111 63.209 62.100 -0.003 0.000 1.147 181 T CB -0.027 68.839 68.868 -0.003 0.000 0.865 181 T HN 0.695 nan 8.240 nan 0.000 0.426 182 G N 1.150 109.949 108.800 -0.002 0.000 4.804 182 G HA2 0.620 4.580 3.960 -0.000 0.000 0.310 182 G HA3 0.620 4.580 3.960 -0.000 0.000 0.310 182 G C 0.107 175.006 174.900 -0.002 0.000 1.389 182 G CA -0.659 44.439 45.100 -0.002 0.000 1.106 182 G HN 0.514 nan 8.290 nan 0.000 0.595 183 L N -1.940 119.282 121.223 -0.002 0.000 7.357 183 L HA -0.434 3.906 4.340 -0.000 0.000 0.053 183 L C 1.639 178.508 176.870 -0.002 0.000 1.534 183 L CA 1.048 55.887 54.840 -0.002 0.000 1.544 183 L CB -1.217 40.841 42.059 -0.002 0.000 2.835 183 L HN 0.477 nan 8.230 nan 0.000 1.139 184 Q N -0.569 119.230 119.800 -0.002 0.000 2.095 184 Q HA -0.251 4.089 4.340 -0.000 0.000 0.396 184 Q C -0.120 175.879 176.000 -0.001 0.000 0.650 184 Q CA 2.428 58.230 55.803 -0.002 0.000 0.949 184 Q CB -0.760 27.978 28.738 -0.001 0.000 2.635 184 Q HN 0.729 nan 8.270 nan 0.000 0.845 185 D N -0.554 119.845 120.400 -0.001 0.000 2.130 185 D HA 0.194 4.834 4.640 -0.000 0.000 0.134 185 D C -1.525 174.775 176.300 -0.000 0.000 1.051 185 D CA -0.008 53.992 54.000 -0.001 0.000 1.052 185 D CB 0.276 41.075 40.800 -0.001 0.000 3.248 185 D HN 0.331 nan 8.370 nan 0.000 0.561 186 E N 1.334 121.534 120.200 -0.000 0.000 2.249 186 E HA 0.714 5.064 4.350 -0.000 0.000 0.263 186 E C -0.713 175.888 176.600 0.001 0.000 0.950 186 E CA -1.046 55.354 56.400 -0.000 0.000 0.827 186 E CB 2.458 32.157 29.700 -0.000 0.000 1.220 186 E HN 0.156 nan 8.360 nan 0.000 0.411 187 L N 2.492 123.716 121.223 0.001 0.000 2.580 187 L HA 0.489 4.829 4.340 -0.000 0.000 0.266 187 L C -1.974 174.897 176.870 0.001 0.000 0.955 187 L CA -0.261 54.580 54.840 0.001 0.000 0.886 187 L CB 1.453 43.513 42.059 0.002 0.000 1.263 187 L HN 0.713 nan 8.230 nan 0.000 0.406 188 D N 2.604 123.005 120.400 0.002 0.000 2.753 188 D HA 0.577 5.217 4.640 -0.000 0.000 0.224 188 D C -1.150 175.151 176.300 0.003 0.000 1.213 188 D CA -0.171 53.830 54.000 0.002 0.000 0.833 188 D CB 2.716 43.517 40.800 0.001 0.000 1.607 188 D HN 0.261 nan 8.370 nan 0.000 0.463 189 V N 1.811 121.727 119.914 0.003 0.000 2.318 189 V HA 0.576 4.696 4.120 -0.000 0.000 0.271 189 V C 0.589 176.685 176.094 0.004 0.000 1.030 189 V CA -0.842 61.460 62.300 0.003 0.000 0.844 189 V CB 0.366 32.191 31.823 0.003 0.000 1.015 189 V HN 0.455 nan 8.190 nan 0.000 0.460 190 V N 0.957 120.874 119.914 0.004 0.000 2.834 190 V HA 0.672 4.792 4.120 -0.000 0.000 0.313 190 V C 0.403 176.500 176.094 0.005 0.000 1.060 190 V CA -0.691 61.611 62.300 0.004 0.000 0.989 190 V CB 1.735 33.560 31.823 0.004 0.000 1.041 190 V HN 0.725 nan 8.190 nan 0.000 0.459 195 F N -0.143 119.816 119.950 0.014 0.000 2.593 195 F HA 0.591 5.118 4.527 -0.000 0.000 0.320 195 F C -0.431 175.377 175.800 0.012 0.000 1.060 195 F CA -1.199 56.812 58.000 0.018 0.000 0.940 195 F CB 1.104 40.117 39.000 0.022 0.000 1.268 195 F HN 0.366 nan 8.300 nan 0.000 0.475 196 D N 2.432 122.936 120.400 0.173 0.000 2.600 196 D HA 0.238 4.878 4.640 -0.000 0.000 0.226 196 D C -0.547 175.810 176.300 0.095 0.000 1.119 196 D CA 0.204 54.247 54.000 0.072 0.000 1.051 196 D CB -0.052 40.794 40.800 0.077 0.000 1.106 196 D HN 0.218 nan 8.370 nan 0.000 0.491 197 R N 1.008 121.517 120.500 0.016 0.000 2.522 197 R HA 0.565 4.905 4.340 -0.000 0.000 0.283 197 R C 0.085 176.329 176.300 -0.093 0.000 1.074 197 R CA -0.743 55.390 56.100 0.056 0.000 0.925 197 R CB 1.797 32.291 30.300 0.324 0.000 1.205 197 R HN 0.317 nan 8.270 nan 0.000 0.436 198 G N 1.060 109.786 108.800 -0.124 0.000 2.601 198 G HA2 0.465 4.425 3.960 -0.000 0.000 0.317 198 G HA3 0.465 4.425 3.960 -0.000 0.000 0.317 198 G C -0.730 174.070 174.900 -0.165 0.000 1.246 198 G CA -0.624 44.313 45.100 -0.272 0.000 1.012 198 G HN 0.446 nan 8.290 nan 0.000 0.494 199 Y N -0.557 119.788 120.300 0.074 0.000 2.620 199 Y HA 0.253 4.803 4.550 -0.000 0.000 0.330 199 Y C 1.365 177.346 175.900 0.136 0.000 1.186 199 Y CA -0.916 57.279 58.100 0.159 0.000 1.467 199 Y CB 0.280 38.873 38.460 0.223 0.000 1.262 199 Y HN 0.217 nan 8.280 nan 0.000 0.550 200 L N 2.337 123.763 121.223 0.338 0.000 2.265 200 L HA -0.084 4.256 4.340 -0.000 0.000 0.215 200 L C 0.512 177.502 176.870 0.199 0.000 1.117 200 L CA 1.352 56.325 54.840 0.222 0.000 0.782 200 L CB -0.468 41.718 42.059 0.212 0.000 0.914 200 L HN 0.879 nan 8.230 nan 0.000 0.441 201 S N -2.846 112.994 115.700 0.232 0.000 2.535 201 S HA 0.513 4.983 4.470 -0.000 0.000 0.272 201 S C -2.731 171.807 174.600 -0.105 0.000 1.149 201 S CA -1.337 56.888 58.200 0.041 0.000 0.888 201 S CB 2.166 65.278 63.200 -0.146 0.000 1.110 201 S HN -0.242 nan 8.310 nan 0.000 0.463 202 P HA 0.212 nan 4.420 nan 0.000 0.317 202 P C -0.019 177.032 177.300 -0.414 0.000 1.316 202 P CA 0.361 63.169 63.100 -0.487 0.000 0.744 202 P CB -0.198 31.203 31.700 -0.498 0.000 1.521 203 Y N -4.816 115.295 120.300 -0.315 0.000 3.299 203 Y HA -0.270 4.280 4.550 -0.000 0.000 0.448 203 Y C 1.900 177.737 175.900 -0.105 0.000 1.224 203 Y CA 1.437 59.406 58.100 -0.218 0.000 2.431 203 Y CB -3.092 35.219 38.460 -0.248 0.000 0.866 203 Y HN 0.053 nan 8.280 nan 0.000 0.499 204 F N 0.528 120.447 119.950 -0.052 0.000 2.365 204 F HA 0.035 4.562 4.527 -0.000 0.000 0.300 204 F C 1.451 177.172 175.800 -0.133 0.000 1.090 204 F CA 0.345 58.301 58.000 -0.073 0.000 1.408 204 F CB -0.611 38.347 39.000 -0.070 0.000 1.060 204 F HN -0.011 nan 8.300 nan 0.000 0.534 205 I N 2.961 123.487 120.570 -0.074 0.000 2.705 205 I HA -0.138 4.032 4.170 -0.000 0.000 0.291 205 I C 1.131 177.227 176.117 -0.034 0.000 1.146 205 I CA 0.019 61.247 61.300 -0.120 0.000 1.383 205 I CB -0.171 37.687 38.000 -0.235 0.000 1.454 205 I HN 0.121 nan 8.210 nan 0.000 0.581 206 N N 5.920 124.619 118.700 -0.001 0.000 2.463 206 N HA -0.087 4.653 4.740 -0.000 0.000 0.181 206 N C 0.144 175.652 175.510 -0.004 0.000 1.078 206 N CA 0.560 53.615 53.050 0.007 0.000 0.902 206 N CB 0.174 38.669 38.487 0.013 0.000 0.970 206 N HN 0.486 nan 8.380 nan 0.000 0.451 207 K N 1.438 121.831 120.400 -0.012 0.000 2.540 207 K HA 0.250 4.570 4.320 -0.000 0.000 0.218 207 K C -1.923 174.665 176.600 -0.021 0.000 1.017 207 K CA -1.759 54.521 56.287 -0.012 0.000 1.029 207 K CB 2.346 34.842 32.500 -0.006 0.000 1.348 207 K HN -0.029 nan 8.250 nan 0.000 0.508 208 P HA -0.205 nan 4.420 nan 0.000 0.218 208 P C 0.546 177.832 177.300 -0.025 0.000 1.148 208 P CA 1.258 64.337 63.100 -0.034 0.000 0.822 208 P CB 0.477 32.159 31.700 -0.031 0.000 0.784 209 E N -0.250 119.941 120.200 -0.016 0.000 2.153 209 E HA -0.083 4.267 4.350 -0.000 0.000 0.194 209 E C 1.718 178.311 176.600 -0.011 0.000 0.988 209 E CA 1.452 57.845 56.400 -0.012 0.000 0.811 209 E CB -0.891 28.804 29.700 -0.008 0.000 0.746 209 E HN 0.353 nan 8.360 nan 0.000 0.466 210 T N -1.264 113.284 114.554 -0.009 0.000 3.014 210 T HA 0.239 4.589 4.350 -0.000 0.000 0.250 210 T C 1.172 175.875 174.700 0.005 0.000 1.060 210 T CA 0.526 62.623 62.100 -0.004 0.000 1.040 210 T CB 0.597 69.464 68.868 -0.002 0.000 0.971 210 T HN 0.327 nan 8.240 nan 0.000 0.497 211 G N 1.694 110.495 108.800 0.002 0.000 2.221 211 G HA2 0.047 4.007 3.960 -0.000 0.000 0.265 211 G HA3 0.047 4.007 3.960 -0.000 0.000 0.265 211 G C 0.048 174.995 174.900 0.079 0.000 1.041 211 G CA 0.066 45.177 45.100 0.018 0.000 0.807 211 G HN 0.953 nan 8.290 nan 0.000 0.502 212 A N -1.461 121.389 122.820 0.050 0.000 2.527 212 A HA 0.917 5.237 4.320 -0.000 0.000 0.293 212 A C -0.355 177.256 177.584 0.045 0.000 1.117 212 A CA -0.239 51.855 52.037 0.095 0.000 0.723 212 A CB 2.009 21.047 19.000 0.063 0.000 1.313 212 A HN 1.284 nan 8.150 nan 0.000 0.411 213 V N 1.130 121.090 119.914 0.076 0.000 2.427 213 V HA 0.523 4.643 4.120 -0.000 0.000 0.286 213 V C 0.059 176.168 176.094 0.025 0.000 1.034 213 V CA -0.411 61.915 62.300 0.043 0.000 0.893 213 V CB 1.319 33.186 31.823 0.072 0.000 0.982 213 V HN 0.902 nan 8.190 nan 0.000 0.452 214 E N 4.645 124.849 120.200 0.006 0.000 2.199 214 E HA 0.652 5.002 4.350 -0.000 0.000 0.265 214 E C -1.783 174.809 176.600 -0.014 0.000 0.882 214 E CA -0.638 55.759 56.400 -0.005 0.000 0.759 214 E CB 1.694 31.390 29.700 -0.006 0.000 1.148 214 E HN 0.637 nan 8.360 nan 0.000 0.412 215 L N 3.730 124.940 121.223 -0.021 0.000 2.381 215 L HA 0.447 4.787 4.340 -0.000 0.000 0.274 215 L C -0.390 176.458 176.870 -0.038 0.000 0.988 215 L CA -0.742 54.079 54.840 -0.031 0.000 0.824 215 L CB 2.031 44.069 42.059 -0.036 0.000 1.263 215 L HN 0.491 nan 8.230 nan 0.000 0.410 216 E N 1.928 122.102 120.200 -0.044 0.000 2.134 216 E HA 0.272 4.622 4.350 -0.000 0.000 0.278 216 E C -0.335 176.216 176.600 -0.082 0.000 0.959 216 E CA -0.414 55.955 56.400 -0.052 0.000 0.783 216 E CB 1.515 31.191 29.700 -0.041 0.000 1.095 216 E HN 0.631 nan 8.360 nan 0.000 0.399 217 S N 2.219 117.859 115.700 -0.100 0.000 3.628 217 S HA -0.126 4.344 4.470 -0.000 0.000 0.373 217 S C -2.118 172.333 174.600 -0.248 0.000 0.968 217 S CA 0.322 58.425 58.200 -0.162 0.000 1.215 217 S CB -1.294 61.815 63.200 -0.152 0.000 0.912 217 S HN 0.501 nan 8.310 nan 0.000 0.495 218 P HA 0.608 nan 4.420 nan 0.000 0.283 218 P C -0.257 176.897 177.300 -0.245 0.000 1.271 218 P CA -0.742 62.245 63.100 -0.189 0.000 0.841 218 P CB 0.624 32.282 31.700 -0.071 0.000 1.122 219 F N 0.252 120.198 119.950 -0.006 0.000 2.379 219 F HA 0.413 4.940 4.527 -0.000 0.000 0.332 219 F C 0.876 176.676 175.800 -0.000 0.000 1.096 219 F CA -0.314 57.684 58.000 -0.002 0.000 1.105 219 F CB 0.700 39.697 39.000 -0.005 0.000 1.189 219 F HN 0.031 nan 8.300 nan 0.000 0.515 220 I N 4.768 125.468 120.570 0.216 0.000 2.420 220 I HA 0.173 4.343 4.170 -0.000 0.000 0.282 220 I C -1.036 175.140 176.117 0.098 0.000 1.019 220 I CA -0.644 60.731 61.300 0.124 0.000 1.130 220 I CB 1.343 39.400 38.000 0.094 0.000 1.262 220 I HN 0.247 nan 8.210 nan 0.000 0.454 221 L N 8.045 129.312 121.223 0.073 0.000 2.342 221 L HA 0.408 4.748 4.340 -0.000 0.000 0.285 221 L C -0.667 176.223 176.870 0.034 0.000 1.095 221 L CA -0.081 54.784 54.840 0.042 0.000 0.843 221 L CB 0.550 42.627 42.059 0.029 0.000 1.201 221 L HN 0.558 nan 8.230 nan 0.000 0.445 222 L N 5.854 127.091 121.223 0.023 0.000 2.255 222 L HA 0.556 4.896 4.340 -0.000 0.000 0.289 222 L C 0.205 177.078 176.870 0.005 0.000 1.046 222 L CA -0.213 54.633 54.840 0.010 0.000 0.816 222 L CB 1.283 43.343 42.059 0.001 0.000 1.197 222 L HN 0.704 nan 8.230 nan 0.000 0.427 223 A N 1.718 124.541 122.820 0.006 0.000 2.374 223 A HA 0.464 4.784 4.320 -0.000 0.000 0.317 223 A C -0.204 177.382 177.584 0.003 0.000 1.094 223 A CA -0.479 51.562 52.037 0.006 0.000 0.765 223 A CB 1.481 20.489 19.000 0.013 0.000 1.268 223 A HN 0.672 nan 8.150 nan 0.000 0.438 224 D N 0.263 120.664 120.400 0.002 0.000 2.368 224 D HA 0.171 4.811 4.640 -0.000 0.000 0.218 224 D C 0.213 176.518 176.300 0.009 0.000 1.112 224 D CA 0.464 54.464 54.000 0.001 0.000 0.834 224 D CB -0.008 40.789 40.800 -0.005 0.000 0.953 224 D HN 0.615 nan 8.370 nan 0.000 0.505 225 K N -0.757 119.651 120.400 0.013 0.000 2.444 225 K HA 0.394 4.714 4.320 -0.000 0.000 0.252 225 K C -0.675 175.939 176.600 0.024 0.000 0.993 225 K CA -1.168 55.129 56.287 0.018 0.000 0.847 225 K CB 1.317 33.826 32.500 0.014 0.000 1.340 225 K HN -0.216 nan 8.250 nan 0.000 0.446 226 K N 1.907 122.323 120.400 0.027 0.000 2.285 226 K HA 0.240 4.560 4.320 -0.000 0.000 0.286 226 K C -0.766 175.853 176.600 0.032 0.000 1.072 226 K CA -0.557 55.751 56.287 0.033 0.000 0.913 226 K CB 0.262 32.783 32.500 0.036 0.000 1.067 226 K HN 0.429 nan 8.250 nan 0.000 0.479 227 I N 2.578 123.170 120.570 0.036 0.000 2.529 227 I HA -0.068 4.102 4.170 -0.000 0.000 0.284 227 I C 1.209 177.348 176.117 0.037 0.000 1.082 227 I CA 0.627 61.948 61.300 0.035 0.000 1.406 227 I CB 1.484 39.508 38.000 0.039 0.000 1.405 227 I HN 0.960 nan 8.210 nan 0.000 0.548 228 S N 2.994 118.712 115.700 0.030 0.000 2.456 228 S HA -0.022 4.448 4.470 -0.000 0.000 0.282 228 S C 1.340 175.954 174.600 0.023 0.000 1.057 228 S CA 0.163 58.380 58.200 0.028 0.000 1.321 228 S CB -0.277 62.938 63.200 0.025 0.000 1.117 228 S HN 0.764 nan 8.310 nan 0.000 0.584 229 N N 2.833 121.544 118.700 0.020 0.000 2.453 229 N HA -0.002 4.738 4.740 -0.000 0.000 0.183 229 N C 1.438 176.957 175.510 0.015 0.000 1.041 229 N CA 1.303 54.362 53.050 0.015 0.000 0.900 229 N CB -0.829 37.666 38.487 0.012 0.000 0.961 229 N HN 0.667 nan 8.380 nan 0.000 0.443 230 I N -0.948 119.634 120.570 0.019 0.000 4.753 230 I HA -0.568 3.602 4.170 -0.000 0.000 0.045 230 I C 2.047 178.172 176.117 0.013 0.000 0.629 230 I CA 2.379 63.691 61.300 0.019 0.000 0.624 230 I CB -1.069 36.942 38.000 0.017 0.000 0.598 230 I HN 0.104 nan 8.210 nan 0.000 0.156 231 R N 0.993 121.499 120.500 0.010 0.000 2.134 231 R HA -0.226 4.114 4.340 -0.000 0.000 0.248 231 R C 1.718 178.020 176.300 0.004 0.000 1.143 231 R CA 2.509 58.612 56.100 0.006 0.000 0.957 231 R CB -0.681 29.622 30.300 0.004 0.000 0.867 231 R HN 0.683 nan 8.270 nan 0.000 0.441 232 E N -0.372 119.831 120.200 0.004 0.000 2.511 232 E HA -0.029 4.321 4.350 -0.000 0.000 0.196 232 E C 1.681 178.282 176.600 0.001 0.000 1.066 232 E CA 0.227 56.628 56.400 0.002 0.000 0.871 232 E CB 0.117 29.819 29.700 0.002 0.000 0.863 232 E HN 0.234 nan 8.360 nan 0.000 0.520 233 M N 0.043 119.645 119.600 0.004 0.000 2.516 233 M HA 0.070 4.550 4.480 -0.000 0.000 0.259 233 M C 1.988 178.287 176.300 -0.000 0.000 1.146 233 M CA 0.465 55.767 55.300 0.004 0.000 1.122 233 M CB -0.101 32.506 32.600 0.013 0.000 1.341 233 M HN 0.176 nan 8.290 nan 0.000 0.478 234 L N 0.969 122.193 121.223 0.001 0.000 2.013 234 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 234 L C -0.383 176.482 176.870 -0.008 0.000 1.073 234 L CA 1.707 56.546 54.840 -0.001 0.000 0.753 234 L CB -2.309 39.750 42.059 -0.000 0.000 0.890 234 L HN 0.178 nan 8.230 nan 0.000 0.432 235 P HA -0.103 nan 4.420 nan 0.000 0.218 235 P C 1.771 179.053 177.300 -0.030 0.000 1.149 235 P CA 1.296 64.385 63.100 -0.019 0.000 0.817 235 P CB 0.072 31.761 31.700 -0.019 0.000 0.785 236 V N 0.316 120.212 119.914 -0.030 0.000 2.488 236 V HA -0.159 3.961 4.120 -0.000 0.000 0.246 236 V C 2.817 178.885 176.094 -0.043 0.000 1.046 236 V CA 1.255 63.528 62.300 -0.046 0.000 1.053 236 V CB -1.223 30.578 31.823 -0.037 0.000 0.679 236 V HN -0.009 nan 8.190 nan 0.000 0.458 237 L N -0.144 121.066 121.223 -0.022 0.000 2.083 237 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 237 L C 2.573 179.436 176.870 -0.011 0.000 1.083 237 L CA 1.628 56.462 54.840 -0.010 0.000 0.752 237 L CB -0.688 41.371 42.059 0.001 0.000 0.899 237 L HN 0.379 nan 8.230 nan 0.000 0.433 238 E N 0.448 120.638 120.200 -0.017 0.000 2.077 238 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 238 E C 2.345 178.930 176.600 -0.025 0.000 0.989 238 E CA 1.139 57.530 56.400 -0.015 0.000 0.800 238 E CB -0.158 29.533 29.700 -0.016 0.000 0.746 238 E HN 0.494 nan 8.360 nan 0.000 0.452 239 A N 0.862 123.652 122.820 -0.050 0.000 1.933 239 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 239 A C 2.378 179.905 177.584 -0.095 0.000 1.175 239 A CA 1.046 53.034 52.037 -0.083 0.000 0.628 239 A CB -0.326 18.599 19.000 -0.125 0.000 0.814 239 A HN 0.124 nan 8.150 nan 0.000 0.444 240 V N -0.439 119.432 119.914 -0.071 0.000 3.129 240 V HA -0.043 4.077 4.120 -0.000 0.000 0.259 240 V C 2.690 178.828 176.094 0.072 0.000 1.116 240 V CA 1.121 63.424 62.300 0.006 0.000 1.127 240 V CB -0.841 31.010 31.823 0.046 0.000 0.742 240 V HN 0.563 nan 8.190 nan 0.000 0.474 241 A N -0.302 122.537 122.820 0.032 0.000 2.172 241 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 241 A C 1.126 178.736 177.584 0.043 0.000 1.154 241 A CA 0.914 52.972 52.037 0.035 0.000 0.701 241 A CB -0.246 18.765 19.000 0.017 0.000 0.789 241 A HN 0.526 nan 8.150 nan 0.000 0.465 242 K N -1.171 119.261 120.400 0.053 0.000 2.274 242 K HA 0.553 4.873 4.320 -0.000 0.000 0.262 242 K C 0.635 177.299 176.600 0.107 0.000 0.961 242 K CA 0.181 56.503 56.287 0.058 0.000 0.833 242 K CB 1.598 34.119 32.500 0.035 0.000 1.102 242 K HN 0.407 nan 8.250 nan 0.000 0.436 243 A N 2.999 125.871 122.820 0.088 0.000 2.574 243 A HA -0.216 4.104 4.320 -0.000 0.000 0.314 243 A C 1.036 178.674 177.584 0.090 0.000 1.995 243 A CA 1.040 53.133 52.037 0.093 0.000 1.012 243 A CB -2.077 17.000 19.000 0.128 0.000 1.432 243 A HN 0.876 nan 8.150 nan 0.000 0.667 244 G N -0.187 108.721 108.800 0.180 0.000 2.985 244 G HA2 0.424 4.384 3.960 -0.000 0.000 0.282 244 G HA3 0.424 4.384 3.960 -0.000 0.000 0.282 244 G C 0.725 175.703 174.900 0.129 0.000 0.791 244 G CA 0.683 45.811 45.100 0.047 0.000 1.934 244 G HN 0.663 nan 8.290 nan 0.000 0.563 245 K N 1.042 121.479 120.400 0.062 0.000 2.034 245 K HA -0.096 4.224 4.320 -0.000 0.000 0.214 245 K C -1.416 175.211 176.600 0.046 0.000 1.051 245 K CA 0.853 57.172 56.287 0.054 0.000 0.931 245 K CB -1.480 31.034 32.500 0.024 0.000 0.715 245 K HN 0.342 nan 8.250 nan 0.000 0.446 246 P HA 0.098 nan 4.420 nan 0.000 0.271 246 P C -0.671 176.646 177.300 0.029 0.000 1.216 246 P CA -0.119 62.978 63.100 -0.004 0.000 0.776 246 P CB 0.550 32.229 31.700 -0.035 0.000 0.881 247 L N 4.117 125.348 121.223 0.013 0.000 2.408 247 L HA 0.642 4.982 4.340 -0.000 0.000 0.268 247 L C -1.783 175.080 176.870 -0.012 0.000 0.986 247 L CA -0.866 54.002 54.840 0.045 0.000 0.820 247 L CB 1.996 44.087 42.059 0.053 0.000 1.303 247 L HN 0.123 nan 8.230 nan 0.000 0.411 248 L N 5.968 127.205 121.223 0.022 0.000 2.343 248 L HA 0.613 4.953 4.340 -0.000 0.000 0.278 248 L C -1.187 175.705 176.870 0.037 0.000 0.996 248 L CA -0.071 54.775 54.840 0.010 0.000 0.831 248 L CB 1.226 43.306 42.059 0.035 0.000 1.232 248 L HN 0.545 nan 8.230 nan 0.000 0.413 249 I N 6.809 127.391 120.570 0.021 0.000 2.291 249 I HA 0.298 4.468 4.170 -0.000 0.000 0.290 249 I C -0.184 175.976 176.117 0.071 0.000 1.050 249 I CA -0.097 61.228 61.300 0.042 0.000 1.245 249 I CB 0.816 38.836 38.000 0.032 0.000 1.405 249 I HN 0.521 nan 8.210 nan 0.000 0.478 250 I N 6.744 127.357 120.570 0.071 0.000 2.448 250 I HA 0.382 4.552 4.170 -0.000 0.000 0.284 250 I C 0.635 176.775 176.117 0.038 0.000 1.135 250 I CA -0.071 61.274 61.300 0.076 0.000 1.207 250 I CB 0.337 38.375 38.000 0.064 0.000 1.548 250 I HN 0.575 nan 8.210 nan 0.000 0.543 251 A N 2.953 125.803 122.820 0.050 0.000 2.261 251 A HA 0.346 4.666 4.320 -0.000 0.000 0.323 251 A C 1.288 178.896 177.584 0.040 0.000 1.107 251 A CA -0.459 51.600 52.037 0.037 0.000 0.883 251 A CB 0.883 19.909 19.000 0.043 0.000 1.251 251 A HN 0.645 nan 8.150 nan 0.000 0.502 252 E N -0.772 119.448 120.200 0.033 0.000 2.171 252 E HA -0.179 4.171 4.350 -0.000 0.000 0.197 252 E C -0.435 176.198 176.600 0.055 0.000 0.997 252 E CA 1.723 58.147 56.400 0.039 0.000 0.810 252 E CB 0.093 29.815 29.700 0.036 0.000 0.738 252 E HN 0.672 nan 8.360 nan 0.000 0.467 253 D N -2.280 118.154 120.400 0.057 0.000 2.820 253 D HA 0.051 4.691 4.640 -0.000 0.000 0.244 253 D C -1.962 174.378 176.300 0.066 0.000 1.106 253 D CA -0.441 53.599 54.000 0.066 0.000 0.741 253 D CB 1.331 42.166 40.800 0.058 0.000 2.042 253 D HN -0.124 nan 8.370 nan 0.000 0.459 254 V N 3.240 123.203 119.914 0.081 0.000 2.293 254 V HA 0.362 4.482 4.120 -0.000 0.000 0.275 254 V C 0.335 176.474 176.094 0.076 0.000 1.021 254 V CA -0.686 61.663 62.300 0.082 0.000 0.815 254 V CB 1.038 32.928 31.823 0.111 0.000 1.025 254 V HN 0.475 nan 8.190 nan 0.000 0.448 255 E N 2.820 123.055 120.200 0.058 0.000 2.418 255 E HA 0.105 4.455 4.350 -0.000 0.000 0.261 255 E C 1.495 178.123 176.600 0.047 0.000 1.070 255 E CA 0.417 56.845 56.400 0.047 0.000 0.931 255 E CB 0.862 30.583 29.700 0.036 0.000 0.954 255 E HN 0.776 nan 8.360 nan 0.000 0.439 256 G N 2.309 111.132 108.800 0.037 0.000 2.532 256 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.222 256 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.222 256 G C 1.084 175.998 174.900 0.024 0.000 1.102 256 G CA 1.028 46.145 45.100 0.029 0.000 0.742 256 G HN 0.448 nan 8.290 nan 0.000 0.577 257 E N 0.716 120.930 120.200 0.025 0.000 2.001 257 E HA 0.103 4.453 4.350 -0.000 0.000 0.193 257 E C 2.869 179.485 176.600 0.027 0.000 0.994 257 E CA 1.373 57.786 56.400 0.020 0.000 0.815 257 E CB -0.609 29.102 29.700 0.019 0.000 0.770 257 E HN 0.312 nan 8.360 nan 0.000 0.453 258 A N 0.258 123.100 122.820 0.037 0.000 2.014 258 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 258 A C 2.100 179.726 177.584 0.070 0.000 1.163 258 A CA 0.788 52.853 52.037 0.047 0.000 0.652 258 A CB -0.460 18.569 19.000 0.048 0.000 0.808 258 A HN 0.223 nan 8.150 nan 0.000 0.449 259 L N -0.227 121.042 121.223 0.078 0.000 2.027 259 L HA -0.015 4.325 4.340 -0.000 0.000 0.206 259 L C 2.662 179.576 176.870 0.073 0.000 1.074 259 L CA 2.098 57.005 54.840 0.111 0.000 0.745 259 L CB -0.691 41.426 42.059 0.095 0.000 0.898 259 L HN 0.315 nan 8.230 nan 0.000 0.433 260 A N -1.840 120.994 122.820 0.024 0.000 2.019 260 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 260 A C 2.202 179.780 177.584 -0.010 0.000 1.164 260 A CA 2.078 54.103 52.037 -0.019 0.000 0.644 260 A CB -1.033 17.952 19.000 -0.026 0.000 0.805 260 A HN 0.523 nan 8.150 nan 0.000 0.449 261 T N 0.356 114.923 114.554 0.021 0.000 2.857 261 T HA -0.007 4.343 4.350 -0.000 0.000 0.266 261 T C 1.760 176.491 174.700 0.052 0.000 1.048 261 T CA 1.279 63.393 62.100 0.024 0.000 1.139 261 T CB -0.298 68.587 68.868 0.028 0.000 0.874 261 T HN 0.385 nan 8.240 nan 0.000 0.455 262 L N 0.750 122.035 121.223 0.104 0.000 2.093 262 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 262 L C 2.624 179.640 176.870 0.243 0.000 1.085 262 L CA 0.683 55.629 54.840 0.177 0.000 0.755 262 L CB -0.659 41.555 42.059 0.258 0.000 0.904 262 L HN 0.132 nan 8.230 nan 0.000 0.435 263 V N -0.963 119.044 119.914 0.156 0.000 2.427 263 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 263 V C 2.313 178.382 176.094 -0.042 0.000 1.051 263 V CA 1.392 63.694 62.300 0.003 0.000 1.048 263 V CB -0.048 31.631 31.823 -0.239 0.000 0.666 263 V HN 0.221 nan 8.190 nan 0.000 0.456 264 V N 0.245 120.131 119.914 -0.047 0.000 2.667 264 V HA -0.171 3.949 4.120 -0.000 0.000 0.252 264 V C 2.023 178.111 176.094 -0.010 0.000 1.065 264 V CA 1.954 64.220 62.300 -0.057 0.000 1.083 264 V CB -0.577 31.212 31.823 -0.055 0.000 0.692 264 V HN 0.632 nan 8.190 nan 0.000 0.468 265 N N -0.411 118.306 118.700 0.028 0.000 2.376 265 N HA -0.116 4.624 4.740 -0.000 0.000 0.177 265 N C 1.819 177.360 175.510 0.051 0.000 1.024 265 N CA 1.482 54.554 53.050 0.037 0.000 0.893 265 N CB 0.063 38.576 38.487 0.043 0.000 0.980 265 N HN 0.650 nan 8.380 nan 0.000 0.439 266 T N -0.625 113.984 114.554 0.091 0.000 2.867 266 T HA -0.000 4.349 4.350 -0.000 0.000 0.268 266 T C 1.043 175.783 174.700 0.066 0.000 1.057 266 T CA 0.551 62.715 62.100 0.106 0.000 1.136 266 T CB -0.039 68.961 68.868 0.220 0.000 0.874 266 T HN -0.040 nan 8.240 nan 0.000 0.466 267 M N 1.963 121.587 119.600 0.040 0.000 2.251 267 M HA 0.430 4.910 4.480 -0.000 0.000 0.346 267 M C 0.859 177.166 176.300 0.011 0.000 1.499 267 M CA 0.403 55.713 55.300 0.017 0.000 1.128 267 M CB 0.578 33.167 32.600 -0.017 0.000 1.809 267 M HN 0.247 nan 8.290 nan 0.000 0.464 268 R N 1.082 121.590 120.500 0.014 0.000 2.902 268 R HA -0.146 4.194 4.340 -0.000 0.000 0.237 268 R C 0.769 177.076 176.300 0.012 0.000 0.777 268 R CA 1.957 58.062 56.100 0.009 0.000 1.747 268 R CB -2.276 28.025 30.300 0.002 0.000 1.248 268 R HN 0.972 nan 8.270 nan 0.000 0.577 269 G N 1.334 110.144 108.800 0.015 0.000 2.985 269 G HA2 0.481 4.441 3.960 -0.000 0.000 0.282 269 G HA3 0.481 4.441 3.960 -0.000 0.000 0.282 269 G C 0.799 175.711 174.900 0.020 0.000 0.791 269 G CA 0.120 45.229 45.100 0.016 0.000 1.934 269 G HN 0.517 nan 8.290 nan 0.000 0.563 270 I N -1.332 119.248 120.570 0.017 0.000 5.365 270 I HA -0.370 3.800 4.170 -0.000 0.000 0.130 270 I C 1.956 178.085 176.117 0.020 0.000 1.216 270 I CA 1.069 62.378 61.300 0.016 0.000 2.546 270 I CB -1.063 36.945 38.000 0.014 0.000 2.091 270 I HN 0.246 nan 8.210 nan 0.000 0.329 271 V N -2.245 117.677 119.914 0.014 0.000 2.453 271 V HA -0.040 4.080 4.120 -0.000 0.000 0.247 271 V C 1.622 177.716 176.094 0.001 0.000 1.048 271 V CA 1.663 63.969 62.300 0.009 0.000 1.049 271 V CB -0.926 30.895 31.823 -0.003 0.000 0.672 271 V HN 0.853 nan 8.190 nan 0.000 0.457 272 K N -0.467 119.934 120.400 0.002 0.000 1.957 272 K HA -0.212 4.108 4.320 -0.000 0.000 0.155 272 K C 0.154 176.727 176.600 -0.044 0.000 1.342 272 K CA 1.838 58.122 56.287 -0.005 0.000 0.382 272 K CB -1.800 30.708 32.500 0.013 0.000 0.664 272 K HN 0.438 nan 8.250 nan 0.000 0.799 273 V N 0.311 120.169 119.914 -0.093 0.000 2.919 273 V HA 0.783 4.903 4.120 -0.000 0.000 0.316 273 V C -0.330 175.468 176.094 -0.494 0.000 1.077 273 V CA -0.326 61.865 62.300 -0.182 0.000 0.977 273 V CB 1.807 33.563 31.823 -0.112 0.000 1.039 273 V HN 0.800 nan 8.190 nan 0.000 0.441 274 A N 1.655 124.163 122.820 -0.520 0.000 2.374 274 A HA 0.948 5.268 4.320 -0.000 0.000 0.305 274 A C -0.421 176.904 177.584 -0.432 0.000 1.053 274 A CA -0.296 51.230 52.037 -0.853 0.000 0.726 274 A CB 1.550 20.300 19.000 -0.417 0.000 1.229 274 A HN 1.510 nan 8.150 nan 0.000 0.431 275 A N 1.548 124.181 122.820 -0.312 0.000 2.342 275 A HA 0.855 5.175 4.320 -0.000 0.000 0.323 275 A C -0.194 177.520 177.584 0.217 0.000 1.125 275 A CA -0.116 51.968 52.037 0.080 0.000 0.785 275 A CB 1.106 20.221 19.000 0.191 0.000 1.221 275 A HN 2.254 nan 8.150 nan 0.000 0.463 276 V N -0.417 119.601 119.914 0.173 0.000 3.159 276 V HA 0.776 4.896 4.120 -0.000 0.000 0.308 276 V C -0.673 175.524 176.094 0.172 0.000 1.190 276 V CA -1.161 61.254 62.300 0.191 0.000 1.037 276 V CB 1.750 33.698 31.823 0.209 0.000 1.060 276 V HN 1.082 nan 8.190 nan 0.000 0.437 277 K N 1.854 122.356 120.400 0.169 0.000 2.123 277 K HA 0.884 5.204 4.320 -0.000 0.000 0.248 277 K C 0.024 176.700 176.600 0.126 0.000 0.969 277 K CA -0.147 56.218 56.287 0.130 0.000 0.882 277 K CB 1.900 34.463 32.500 0.104 0.000 1.080 277 K HN 1.330 nan 8.250 nan 0.000 0.441 278 A N 2.739 125.589 122.820 0.050 0.000 2.511 278 A HA 0.205 4.525 4.320 -0.000 0.000 0.242 278 A C -1.984 175.582 177.584 -0.030 0.000 1.069 278 A CA -1.156 50.855 52.037 -0.043 0.000 0.763 278 A CB -0.631 18.345 19.000 -0.040 0.000 1.001 278 A HN 0.626 nan 8.150 nan 0.000 0.498 279 P HA 0.370 nan 4.420 nan 0.000 0.271 279 P C 0.680 177.989 177.300 0.015 0.000 1.226 279 P CA 1.544 64.610 63.100 -0.056 0.000 0.765 279 P CB 0.606 32.145 31.700 -0.267 0.000 0.835 280 G N 3.046 111.921 108.800 0.125 0.000 2.587 280 G HA2 0.050 4.010 3.960 -0.000 0.000 0.212 280 G HA3 0.050 4.010 3.960 -0.000 0.000 0.212 280 G C -1.026 174.074 174.900 0.335 0.000 1.327 280 G CA -0.174 45.054 45.100 0.215 0.000 0.898 280 G HN 0.716 nan 8.290 nan 0.000 0.551 281 F N -2.722 117.235 119.950 0.011 0.000 2.741 281 F HA 0.759 5.286 4.527 -0.000 0.000 0.311 281 F C 1.058 176.865 175.800 0.011 0.000 1.149 281 F CA 0.481 58.488 58.000 0.012 0.000 0.930 281 F CB 0.792 39.804 39.000 0.020 0.000 1.312 281 F HN 2.496 nan 8.300 nan 0.000 0.450 282 G N 1.327 110.115 108.800 -0.021 0.000 2.602 282 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.310 282 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.310 282 G C 0.660 175.478 174.900 -0.137 0.000 1.183 282 G CA 0.837 45.869 45.100 -0.112 0.000 0.979 282 G HN 0.956 nan 8.290 nan 0.000 0.545 283 D N 1.075 121.361 120.400 -0.191 0.000 2.091 283 D HA -0.070 4.570 4.640 -0.000 0.000 0.199 283 D C 2.662 178.884 176.300 -0.130 0.000 0.980 283 D CA 1.521 55.441 54.000 -0.133 0.000 0.831 283 D CB -0.115 40.612 40.800 -0.121 0.000 0.987 283 D HN 0.613 nan 8.370 nan 0.000 0.460 284 R N 1.074 121.466 120.500 -0.181 0.000 2.237 284 R HA -0.020 4.320 4.340 -0.000 0.000 0.219 284 R C 2.179 178.418 176.300 -0.102 0.000 1.080 284 R CA 0.586 56.607 56.100 -0.132 0.000 0.995 284 R CB -0.300 29.916 30.300 -0.140 0.000 0.875 284 R HN 0.042 nan 8.270 nan 0.000 0.462 285 R N 2.440 122.877 120.500 -0.105 0.000 2.070 285 R HA -0.151 4.189 4.340 -0.000 0.000 0.233 285 R C 1.598 177.863 176.300 -0.059 0.000 1.137 285 R CA 2.178 58.244 56.100 -0.056 0.000 0.945 285 R CB -0.093 30.197 30.300 -0.016 0.000 0.845 285 R HN 0.446 nan 8.270 nan 0.000 0.430 286 K N -0.489 119.879 120.400 -0.054 0.000 2.217 286 K HA 0.070 4.390 4.320 -0.000 0.000 0.202 286 K C 1.920 178.491 176.600 -0.049 0.000 1.051 286 K CA 1.066 57.325 56.287 -0.046 0.000 0.952 286 K CB -0.023 32.456 32.500 -0.035 0.000 0.736 286 K HN 0.165 nan 8.250 nan 0.000 0.453 287 A N 1.311 124.099 122.820 -0.053 0.000 2.016 287 A HA -0.002 4.318 4.320 -0.000 0.000 0.217 287 A C 2.104 179.657 177.584 -0.052 0.000 1.162 287 A CA 0.883 52.892 52.037 -0.047 0.000 0.662 287 A CB -0.272 18.701 19.000 -0.045 0.000 0.812 287 A HN 0.280 nan 8.150 nan 0.000 0.450 288 M N -0.556 119.004 119.600 -0.066 0.000 2.254 288 M HA 0.140 4.620 4.480 -0.000 0.000 0.265 288 M C 1.701 177.935 176.300 -0.109 0.000 1.066 288 M CA 1.243 56.493 55.300 -0.083 0.000 1.123 288 M CB -0.398 32.145 32.600 -0.096 0.000 1.388 288 M HN 0.350 nan 8.290 nan 0.000 0.425 289 L N -0.751 120.411 121.223 -0.101 0.000 2.141 289 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 289 L C 2.504 179.334 176.870 -0.066 0.000 1.094 289 L CA 0.853 55.633 54.840 -0.100 0.000 0.763 289 L CB -0.614 41.400 42.059 -0.074 0.000 0.908 289 L HN 0.327 nan 8.230 nan 0.000 0.437 290 Q N 0.017 119.787 119.800 -0.050 0.000 2.167 290 Q HA -0.192 4.148 4.340 -0.000 0.000 0.202 290 Q C 1.659 177.642 176.000 -0.028 0.000 0.970 290 Q CA 1.395 57.179 55.803 -0.033 0.000 0.855 290 Q CB -0.099 28.622 28.738 -0.027 0.000 0.911 290 Q HN 0.506 nan 8.270 nan 0.000 0.438 291 D N -0.109 120.270 120.400 -0.036 0.000 2.144 291 D HA -0.090 4.550 4.640 -0.000 0.000 0.200 291 D C 1.955 178.243 176.300 -0.020 0.000 0.978 291 D CA 0.738 54.723 54.000 -0.026 0.000 0.833 291 D CB -0.090 40.693 40.800 -0.028 0.000 0.961 291 D HN 0.317 nan 8.370 nan 0.000 0.470 292 I N 1.037 121.583 120.570 -0.041 0.000 2.353 292 I HA -0.164 4.006 4.170 -0.000 0.000 0.248 292 I C 2.448 178.563 176.117 -0.003 0.000 1.119 292 I CA 0.665 61.950 61.300 -0.025 0.000 1.417 292 I CB -0.191 37.765 38.000 -0.074 0.000 1.078 292 I HN -0.094 nan 8.210 nan 0.000 0.421 293 A N 0.801 123.614 122.820 -0.011 0.000 1.933 293 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 293 A C 2.376 179.965 177.584 0.009 0.000 1.175 293 A CA 2.316 54.354 52.037 0.002 0.000 0.628 293 A CB -0.998 17.999 19.000 -0.004 0.000 0.814 293 A HN 0.395 nan 8.150 nan 0.000 0.444 294 T N 0.339 114.896 114.554 0.004 0.000 2.821 294 T HA -0.013 4.337 4.350 -0.000 0.000 0.267 294 T C 1.818 176.526 174.700 0.013 0.000 1.046 294 T CA 1.191 63.295 62.100 0.007 0.000 1.139 294 T CB -0.297 68.573 68.868 0.003 0.000 0.871 294 T HN 0.334 nan 8.240 nan 0.000 0.454 295 L N 1.353 122.585 121.223 0.015 0.000 1.988 295 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 295 L C 3.122 180.006 176.870 0.024 0.000 1.071 295 L CA 1.827 56.680 54.840 0.022 0.000 0.744 295 L CB -1.115 40.962 42.059 0.030 0.000 0.893 295 L HN 0.427 nan 8.230 nan 0.000 0.433 296 T N -2.969 111.603 114.554 0.030 0.000 3.035 296 T HA 0.061 4.411 4.350 -0.000 0.000 0.268 296 T C 1.281 176.004 174.700 0.039 0.000 1.109 296 T CA 0.515 62.637 62.100 0.035 0.000 1.119 296 T CB -0.165 68.731 68.868 0.047 0.000 0.900 296 T HN 0.539 nan 8.240 nan 0.000 0.503 297 G N 0.413 109.233 108.800 0.033 0.000 2.289 297 G HA2 0.169 4.129 3.960 -0.000 0.000 0.280 297 G HA3 0.169 4.129 3.960 -0.000 0.000 0.280 297 G C 0.183 175.108 174.900 0.042 0.000 1.089 297 G CA -0.198 44.922 45.100 0.033 0.000 0.939 297 G HN 1.062 nan 8.290 nan 0.000 0.499 298 G N -1.546 107.276 108.800 0.037 0.000 3.042 298 G HA2 0.881 4.841 3.960 -0.000 0.000 0.278 298 G HA3 0.881 4.841 3.960 -0.000 0.000 0.278 298 G C -0.586 174.325 174.900 0.019 0.000 1.371 298 G CA 0.144 45.266 45.100 0.036 0.000 1.009 298 G HN 0.751 nan 8.290 nan 0.000 0.523 299 T N 0.288 114.850 114.554 0.013 0.000 2.824 299 T HA 0.466 4.816 4.350 -0.000 0.000 0.282 299 T C -0.227 174.473 174.700 0.001 0.000 0.993 299 T CA -0.302 61.800 62.100 0.004 0.000 0.967 299 T CB 1.741 70.608 68.868 -0.000 0.000 0.960 299 T HN 0.372 nan 8.240 nan 0.000 0.441 300 V N 4.200 124.112 119.914 -0.004 0.000 2.470 300 V HA 0.204 4.324 4.120 -0.000 0.000 0.276 300 V C 0.282 176.373 176.094 -0.007 0.000 1.040 300 V CA -0.531 61.765 62.300 -0.007 0.000 1.008 300 V CB 0.074 31.889 31.823 -0.014 0.000 0.990 300 V HN 0.749 nan 8.190 nan 0.000 0.477 301 I N 5.965 126.532 120.570 -0.005 0.000 2.311 301 I HA 0.109 4.279 4.170 -0.000 0.000 0.297 301 I C 1.142 177.256 176.117 -0.004 0.000 1.131 301 I CA 0.865 62.162 61.300 -0.005 0.000 1.289 301 I CB 0.219 38.216 38.000 -0.004 0.000 1.446 301 I HN 0.825 nan 8.210 nan 0.000 0.524 302 S N 4.164 119.861 115.700 -0.005 0.000 2.632 302 S HA 0.290 4.760 4.470 -0.000 0.000 0.267 302 S C 1.271 175.870 174.600 -0.003 0.000 1.193 302 S CA -0.621 57.576 58.200 -0.005 0.000 1.003 302 S CB 0.653 63.849 63.200 -0.007 0.000 1.073 302 S HN 0.521 nan 8.310 nan 0.000 0.553 303 E N 1.644 121.842 120.200 -0.002 0.000 2.033 303 E HA -0.236 4.114 4.350 -0.000 0.000 0.199 303 E C 2.185 178.785 176.600 -0.001 0.000 1.011 303 E CA 2.071 58.471 56.400 -0.000 0.000 0.815 303 E CB -0.684 29.016 29.700 -0.000 0.000 0.755 303 E HN 0.917 nan 8.360 nan 0.000 0.451 304 E N 0.527 120.726 120.200 -0.002 0.000 2.106 304 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 304 E C 2.061 178.659 176.600 -0.003 0.000 0.984 304 E CA 0.943 57.341 56.400 -0.003 0.000 0.806 304 E CB -0.404 29.294 29.700 -0.003 0.000 0.750 304 E HN 0.283 nan 8.360 nan 0.000 0.458 305 I N 1.848 122.416 120.570 -0.004 0.000 3.564 305 I HA 0.060 4.230 4.170 -0.000 0.000 0.294 305 I C 2.197 178.312 176.117 -0.004 0.000 1.289 305 I CA 0.322 61.619 61.300 -0.005 0.000 1.325 305 I CB -0.222 37.775 38.000 -0.006 0.000 1.039 305 I HN 0.184 nan 8.210 nan 0.000 0.474 306 G N 1.581 110.379 108.800 -0.002 0.000 2.469 306 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.220 306 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.220 306 G C 1.520 176.419 174.900 -0.001 0.000 1.136 306 G CA 0.779 45.879 45.100 -0.000 0.000 0.759 306 G HN 0.211 nan 8.290 nan 0.000 0.562 307 M N 0.681 120.280 119.600 -0.002 0.000 2.175 307 M HA 0.069 4.549 4.480 -0.000 0.000 0.264 307 M C 2.193 178.490 176.300 -0.005 0.000 1.063 307 M CA 0.792 56.090 55.300 -0.003 0.000 1.119 307 M CB -0.305 32.293 32.600 -0.003 0.000 1.377 307 M HN 0.086 nan 8.290 nan 0.000 0.415 308 E N 0.171 120.367 120.200 -0.006 0.000 2.401 308 E HA -0.123 4.227 4.350 -0.000 0.000 0.199 308 E C 1.990 178.583 176.600 -0.011 0.000 1.023 308 E CA 0.507 56.901 56.400 -0.009 0.000 0.859 308 E CB -0.453 29.241 29.700 -0.010 0.000 0.780 308 E HN 0.415 nan 8.360 nan 0.000 0.523 309 L N 1.255 122.474 121.223 -0.007 0.000 2.129 309 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 309 L C 2.027 178.891 176.870 -0.010 0.000 1.087 309 L CA 1.834 56.670 54.840 -0.007 0.000 0.757 309 L CB -0.388 41.670 42.059 -0.001 0.000 0.896 309 L HN 0.157 nan 8.230 nan 0.000 0.434 310 E N 0.435 120.629 120.200 -0.010 0.000 2.112 310 E HA -0.153 4.197 4.350 -0.000 0.000 0.190 310 E C 1.139 177.728 176.600 -0.017 0.000 0.979 310 E CA 0.675 57.068 56.400 -0.011 0.000 0.814 310 E CB 0.151 29.846 29.700 -0.008 0.000 0.762 310 E HN 0.550 nan 8.360 nan 0.000 0.460 311 K N -0.070 120.320 120.400 -0.018 0.000 2.965 311 K HA 0.435 4.755 4.320 -0.000 0.000 0.216 311 K C -0.589 175.994 176.600 -0.029 0.000 1.164 311 K CA -0.234 56.039 56.287 -0.023 0.000 1.153 311 K CB 1.234 33.722 32.500 -0.019 0.000 1.045 311 K HN -0.068 nan 8.250 nan 0.000 0.460 312 A N 1.591 124.391 122.820 -0.033 0.000 2.350 312 A HA 0.238 4.558 4.320 -0.000 0.000 0.293 312 A C 0.147 177.693 177.584 -0.063 0.000 1.231 312 A CA -0.430 51.582 52.037 -0.041 0.000 0.883 312 A CB -0.012 18.966 19.000 -0.036 0.000 1.133 312 A HN 0.443 nan 8.150 nan 0.000 0.533 313 T N 2.306 116.821 114.554 -0.065 0.000 2.788 313 T HA 0.259 4.609 4.350 -0.000 0.000 0.287 313 T C 1.507 176.126 174.700 -0.135 0.000 1.007 313 T CA -0.575 61.472 62.100 -0.088 0.000 1.005 313 T CB 0.450 69.279 68.868 -0.065 0.000 1.012 313 T HN 0.426 nan 8.240 nan 0.000 0.530 314 L N 0.232 121.338 121.223 -0.195 0.000 2.456 314 L HA -0.065 4.275 4.340 -0.000 0.000 0.224 314 L C 2.487 179.248 176.870 -0.181 0.000 1.148 314 L CA 1.191 55.830 54.840 -0.336 0.000 0.825 314 L CB -0.643 41.143 42.059 -0.456 0.000 0.937 314 L HN 0.753 nan 8.230 nan 0.000 0.450 315 E N -0.090 120.056 120.200 -0.089 0.000 2.208 315 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 315 E C 1.240 177.832 176.600 -0.012 0.000 0.988 315 E CA 0.823 57.206 56.400 -0.027 0.000 0.828 315 E CB 0.074 29.762 29.700 -0.021 0.000 0.763 315 E HN 0.504 nan 8.360 nan 0.000 0.478 316 D N 0.293 120.674 120.400 -0.032 0.000 2.323 316 D HA -0.020 4.620 4.640 -0.000 0.000 0.209 316 D C 0.035 176.336 176.300 0.002 0.000 0.973 316 D CA 0.381 54.372 54.000 -0.015 0.000 0.874 316 D CB 0.285 41.071 40.800 -0.024 0.000 0.930 316 D HN 0.055 nan 8.370 nan 0.000 0.521 317 L N 1.367 122.585 121.223 -0.008 0.000 2.281 317 L HA 0.306 4.646 4.340 -0.000 0.000 0.285 317 L C 1.297 178.265 176.870 0.162 0.000 1.074 317 L CA -0.220 54.653 54.840 0.055 0.000 0.817 317 L CB 1.138 43.189 42.059 -0.014 0.000 1.168 317 L HN -0.182 nan 8.230 nan 0.000 0.434 318 G N 2.487 111.370 108.800 0.138 0.000 2.651 318 G HA2 0.403 4.363 3.960 -0.000 0.000 0.260 318 G HA3 0.403 4.363 3.960 -0.000 0.000 0.260 318 G C -0.766 174.234 174.900 0.167 0.000 1.216 318 G CA -0.235 44.941 45.100 0.127 0.000 0.913 318 G HN 0.583 nan 8.290 nan 0.000 0.535 319 Q N -1.485 118.364 119.800 0.082 0.000 2.377 319 Q HA 0.595 4.935 4.340 -0.000 0.000 0.279 319 Q C -1.034 174.947 176.000 -0.032 0.000 1.049 319 Q CA -0.830 54.964 55.803 -0.015 0.000 0.825 319 Q CB 2.165 30.848 28.738 -0.091 0.000 1.401 319 Q HN 0.912 nan 8.270 nan 0.000 0.404 320 A N 1.976 124.756 122.820 -0.067 0.000 2.527 320 A HA 0.429 4.749 4.320 -0.000 0.000 0.293 320 A C -0.309 177.235 177.584 -0.067 0.000 1.117 320 A CA -0.556 51.456 52.037 -0.043 0.000 0.723 320 A CB 1.720 20.712 19.000 -0.014 0.000 1.313 320 A HN 0.865 nan 8.150 nan 0.000 0.411 321 K N -0.449 119.924 120.400 -0.045 0.000 2.103 321 K HA 0.037 4.357 4.320 -0.000 0.000 0.204 321 K C 0.681 177.253 176.600 -0.046 0.000 1.052 321 K CA 1.289 57.548 56.287 -0.047 0.000 0.945 321 K CB 0.072 32.554 32.500 -0.030 0.000 0.722 321 K HN 0.614 nan 8.250 nan 0.000 0.443 322 R N -0.549 119.930 120.500 -0.034 0.000 2.664 322 R HA 0.291 4.631 4.340 -0.000 0.000 0.266 322 R C -2.126 174.161 176.300 -0.021 0.000 1.046 322 R CA -0.695 55.386 56.100 -0.030 0.000 0.885 322 R CB 2.011 32.296 30.300 -0.025 0.000 1.254 322 R HN -0.065 nan 8.270 nan 0.000 0.465 323 V N 3.143 123.045 119.914 -0.021 0.000 2.686 323 V HA 0.521 4.641 4.120 -0.000 0.000 0.306 323 V C -0.964 175.119 176.094 -0.018 0.000 1.065 323 V CA -0.750 61.541 62.300 -0.016 0.000 0.894 323 V CB 2.200 34.019 31.823 -0.006 0.000 1.004 323 V HN 0.509 nan 8.190 nan 0.000 0.424 324 V N 5.697 125.595 119.914 -0.027 0.000 2.444 324 V HA 0.551 4.671 4.120 -0.000 0.000 0.294 324 V C -0.446 175.630 176.094 -0.030 0.000 1.022 324 V CA -0.398 61.891 62.300 -0.020 0.000 0.850 324 V CB 1.847 33.657 31.823 -0.022 0.000 0.992 324 V HN 0.722 nan 8.190 nan 0.000 0.426 325 I N 4.276 124.857 120.570 0.018 0.000 2.371 325 I HA 0.425 4.595 4.170 -0.000 0.000 0.282 325 I C 0.155 176.344 176.117 0.121 0.000 1.031 325 I CA -0.381 60.945 61.300 0.044 0.000 1.180 325 I CB 0.975 39.057 38.000 0.138 0.000 1.336 325 I HN 0.518 nan 8.210 nan 0.000 0.467 326 N N 4.393 123.098 118.700 0.008 0.000 2.332 326 N HA 0.225 4.965 4.740 -0.000 0.000 0.282 326 N C 1.129 176.562 175.510 -0.128 0.000 1.288 326 N CA -0.255 52.804 53.050 0.015 0.000 0.949 326 N CB 0.627 39.080 38.487 -0.058 0.000 1.108 326 N HN 0.364 nan 8.380 nan 0.000 0.542 327 K N -0.273 120.029 120.400 -0.163 0.000 2.063 327 K HA -0.152 4.168 4.320 -0.000 0.000 0.208 327 K C -0.161 176.170 176.600 -0.448 0.000 1.048 327 K CA 1.956 57.998 56.287 -0.408 0.000 0.928 327 K CB -0.191 32.212 32.500 -0.162 0.000 0.713 327 K HN 0.684 nan 8.250 nan 0.000 0.442 328 D N -1.044 119.201 120.400 -0.258 0.000 2.636 328 D HA 0.046 4.686 4.640 -0.000 0.000 0.270 328 D C -0.929 175.276 176.300 -0.159 0.000 1.430 328 D CA -0.441 53.443 54.000 -0.193 0.000 0.796 328 D CB 0.796 41.520 40.800 -0.126 0.000 1.117 328 D HN -0.152 nan 8.370 nan 0.000 0.480 329 T N -1.208 113.233 114.554 -0.189 0.000 3.032 329 T HA 0.552 4.902 4.350 -0.000 0.000 0.312 329 T C -0.716 173.822 174.700 -0.270 0.000 1.078 329 T CA -0.685 61.291 62.100 -0.207 0.000 1.028 329 T CB 1.907 70.684 68.868 -0.152 0.000 1.091 329 T HN -0.119 nan 8.240 nan 0.000 0.457 330 T N 2.222 116.487 114.554 -0.482 0.000 2.812 330 T HA 0.651 5.001 4.350 -0.000 0.000 0.282 330 T C -0.432 173.952 174.700 -0.526 0.000 0.990 330 T CA -0.525 61.251 62.100 -0.541 0.000 0.960 330 T CB 1.616 69.999 68.868 -0.807 0.000 0.948 330 T HN 0.732 nan 8.240 nan 0.000 0.438 331 T N 3.932 118.337 114.554 -0.248 0.000 2.809 331 T HA 0.595 4.945 4.350 -0.000 0.000 0.284 331 T C -0.401 174.267 174.700 -0.053 0.000 0.992 331 T CA -0.679 61.342 62.100 -0.132 0.000 0.957 331 T CB 0.051 68.870 68.868 -0.082 0.000 0.942 331 T HN 0.477 nan 8.240 nan 0.000 0.439 332 I N 6.784 127.359 120.570 0.009 0.000 2.291 332 I HA 0.364 4.534 4.170 -0.000 0.000 0.292 332 I C 0.059 176.192 176.117 0.026 0.000 1.064 332 I CA -0.541 60.784 61.300 0.042 0.000 1.269 332 I CB 0.766 38.828 38.000 0.104 0.000 1.418 332 I HN 0.525 nan 8.210 nan 0.000 0.485 333 I N 6.139 126.713 120.570 0.007 0.000 2.325 333 I HA 0.129 4.299 4.170 -0.000 0.000 0.291 333 I C 0.303 176.420 176.117 0.000 0.000 1.019 333 I CA -0.247 61.054 61.300 0.002 0.000 1.302 333 I CB 0.578 38.573 38.000 -0.007 0.000 1.401 333 I HN 0.669 nan 8.210 nan 0.000 0.485 334 D N 5.279 125.681 120.400 0.004 0.000 4.028 334 D HA -0.120 4.520 4.640 -0.000 0.000 0.233 334 D C -0.084 176.217 176.300 0.001 0.000 1.080 334 D CA 0.621 54.622 54.000 0.001 0.000 1.181 334 D CB 0.116 40.912 40.800 -0.006 0.000 0.815 334 D HN 0.820 nan 8.370 nan 0.000 0.401 335 G N 1.605 110.411 108.800 0.009 0.000 2.476 335 G HA2 0.512 4.472 3.960 -0.000 0.000 0.286 335 G HA3 0.512 4.472 3.960 -0.000 0.000 0.286 335 G C 0.253 175.158 174.900 0.007 0.000 1.177 335 G CA -0.523 44.584 45.100 0.012 0.000 0.870 335 G HN 0.342 nan 8.290 nan 0.000 0.528 336 V N 1.463 121.382 119.914 0.008 0.000 2.304 336 V HA 0.641 4.761 4.120 -0.000 0.000 0.262 336 V C 0.944 177.048 176.094 0.017 0.000 1.061 336 V CA 0.628 62.933 62.300 0.009 0.000 0.872 336 V CB 0.394 32.221 31.823 0.007 0.000 1.077 336 V HN 1.355 nan 8.190 nan 0.000 0.480 337 G N 3.264 112.073 108.800 0.014 0.000 4.112 337 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.223 337 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.223 337 G C -0.181 174.725 174.900 0.011 0.000 0.883 337 G CA -0.721 44.388 45.100 0.015 0.000 1.195 337 G HN 0.586 nan 8.290 nan 0.000 0.730 338 E N 0.574 120.779 120.200 0.010 0.000 2.461 338 E HA 0.304 4.654 4.350 -0.000 0.000 0.263 338 E C 0.961 177.566 176.600 0.007 0.000 1.143 338 E CA 0.820 57.225 56.400 0.008 0.000 0.994 338 E CB 0.721 30.425 29.700 0.006 0.000 0.973 338 E HN 0.458 nan 8.360 nan 0.000 0.457 339 E N 0.060 120.264 120.200 0.007 0.000 3.289 339 E HA -0.443 3.907 4.350 -0.000 0.000 0.386 339 E C 1.368 177.972 176.600 0.005 0.000 1.526 339 E CA 1.223 57.626 56.400 0.006 0.000 1.519 339 E CB -1.115 28.588 29.700 0.005 0.000 1.657 339 E HN 0.602 nan 8.360 nan 0.000 0.479 340 A N 0.277 123.100 122.820 0.005 0.000 1.853 340 A HA -0.394 3.926 4.320 -0.000 0.000 0.255 340 A C 2.315 179.902 177.584 0.005 0.000 2.273 340 A CA 4.952 56.992 52.037 0.005 0.000 0.797 340 A CB -1.742 17.261 19.000 0.005 0.000 0.844 340 A HN 1.121 nan 8.150 nan 0.000 0.520 341 A N -0.889 121.935 122.820 0.006 0.000 1.845 341 A HA -0.046 4.274 4.320 -0.000 0.000 0.215 341 A C 2.201 179.789 177.584 0.005 0.000 1.195 341 A CA 1.765 53.806 52.037 0.006 0.000 0.616 341 A CB -0.725 18.280 19.000 0.008 0.000 0.832 341 A HN 0.631 nan 8.150 nan 0.000 0.443 342 I N -0.969 119.605 120.570 0.007 0.000 2.226 342 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 342 I C 2.758 178.878 176.117 0.005 0.000 1.100 342 I CA 1.750 63.054 61.300 0.007 0.000 1.374 342 I CB -0.342 37.664 38.000 0.009 0.000 1.057 342 I HN 0.340 nan 8.210 nan 0.000 0.413 343 Q N 1.183 120.986 119.800 0.005 0.000 2.170 343 Q HA -0.109 4.231 4.340 -0.000 0.000 0.203 343 Q C 2.120 178.121 176.000 0.003 0.000 0.976 343 Q CA 1.888 57.694 55.803 0.004 0.000 0.858 343 Q CB -0.625 28.116 28.738 0.004 0.000 0.907 343 Q HN 0.500 nan 8.270 nan 0.000 0.433 344 G N -0.445 108.356 108.800 0.002 0.000 2.403 344 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.216 344 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.216 344 G C 1.568 176.468 174.900 0.000 0.000 1.154 344 G CA 0.681 45.782 45.100 0.001 0.000 0.784 344 G HN 0.255 nan 8.290 nan 0.000 0.538 345 R N 0.255 120.755 120.500 0.000 0.000 2.081 345 R HA 0.011 4.351 4.340 -0.000 0.000 0.235 345 R C 2.594 178.893 176.300 -0.001 0.000 1.131 345 R CA 1.209 57.309 56.100 -0.001 0.000 0.960 345 R CB -0.846 29.454 30.300 -0.001 0.000 0.856 345 R HN 0.215 nan 8.270 nan 0.000 0.436 346 V N 0.589 120.503 119.914 0.000 0.000 2.407 346 V HA -0.193 3.927 4.120 -0.000 0.000 0.248 346 V C 2.289 178.383 176.094 -0.000 0.000 1.055 346 V CA 1.844 64.144 62.300 0.001 0.000 1.049 346 V CB -0.844 30.980 31.823 0.003 0.000 0.662 346 V HN 0.511 nan 8.190 nan 0.000 0.455 347 A N -0.811 122.009 122.820 -0.000 0.000 1.933 347 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 347 A C 2.183 179.767 177.584 -0.001 0.000 1.175 347 A CA 1.879 53.916 52.037 -0.000 0.000 0.628 347 A CB -0.390 18.610 19.000 0.000 0.000 0.814 347 A HN 0.637 nan 8.150 nan 0.000 0.444 348 Q N -0.476 119.323 119.800 -0.002 0.000 2.016 348 Q HA -0.083 4.257 4.340 -0.000 0.000 0.200 348 Q C 2.071 178.068 176.000 -0.004 0.000 0.978 348 Q CA 1.619 57.420 55.803 -0.003 0.000 0.833 348 Q CB -0.334 28.401 28.738 -0.004 0.000 0.895 348 Q HN 0.741 nan 8.270 nan 0.000 0.427 349 I N 0.380 120.947 120.570 -0.004 0.000 2.361 349 I HA -0.245 3.925 4.170 -0.000 0.000 0.251 349 I C 2.548 178.663 176.117 -0.004 0.000 1.133 349 I CA 0.951 62.248 61.300 -0.005 0.000 1.413 349 I CB -0.294 37.703 38.000 -0.006 0.000 1.073 349 I HN 0.140 nan 8.210 nan 0.000 0.424 350 R N 0.752 121.251 120.500 -0.002 0.000 2.189 350 R HA -0.144 4.196 4.340 -0.000 0.000 0.223 350 R C 2.245 178.544 176.300 -0.001 0.000 1.092 350 R CA 0.984 57.083 56.100 -0.002 0.000 0.989 350 R CB -0.014 30.285 30.300 -0.001 0.000 0.876 350 R HN 0.376 nan 8.270 nan 0.000 0.457 351 Q N -0.498 119.302 119.800 -0.001 0.000 2.408 351 Q HA -0.035 4.305 4.340 -0.000 0.000 0.205 351 Q C 1.295 177.294 176.000 -0.001 0.000 0.919 351 Q CA 0.361 56.163 55.803 -0.001 0.000 0.932 351 Q CB 0.552 29.289 28.738 -0.001 0.000 1.058 351 Q HN 0.408 nan 8.270 nan 0.000 0.517 352 Q N 0.483 120.282 119.800 -0.002 0.000 2.123 352 Q HA -0.113 4.227 4.340 -0.000 0.000 0.199 352 Q C 2.219 178.220 176.000 0.000 0.000 0.966 352 Q CA 1.152 56.954 55.803 -0.001 0.000 0.845 352 Q CB -0.311 28.425 28.738 -0.003 0.000 0.907 352 Q HN 0.579 nan 8.270 nan 0.000 0.439 353 I N -1.085 119.485 120.570 -0.000 0.000 2.454 353 I HA -0.168 4.002 4.170 -0.000 0.000 0.254 353 I C 1.621 177.740 176.117 0.003 0.000 1.156 353 I CA 1.259 62.559 61.300 0.001 0.000 1.433 353 I CB -0.312 37.687 38.000 -0.001 0.000 1.082 353 I HN -0.085 nan 8.210 nan 0.000 0.432 354 E N 1.934 122.135 120.200 0.002 0.000 2.106 354 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 354 E C 0.682 177.284 176.600 0.003 0.000 0.984 354 E CA 0.839 57.240 56.400 0.002 0.000 0.806 354 E CB -0.323 29.378 29.700 0.001 0.000 0.750 354 E HN 0.711 nan 8.360 nan 0.000 0.458 355 E N 1.493 121.695 120.200 0.003 0.000 1.858 355 E HA 0.235 4.585 4.350 -0.000 0.000 0.278 355 E C -0.443 176.160 176.600 0.006 0.000 1.172 355 E CA -0.375 56.027 56.400 0.004 0.000 1.127 355 E CB 0.037 29.739 29.700 0.002 0.000 1.084 355 E HN 0.085 nan 8.360 nan 0.000 0.455 356 A N 2.866 125.690 122.820 0.007 0.000 2.537 356 A HA 0.097 4.417 4.320 -0.000 0.000 0.260 356 A C 1.041 178.632 177.584 0.012 0.000 1.082 356 A CA 0.297 52.340 52.037 0.010 0.000 0.765 356 A CB -0.066 18.940 19.000 0.009 0.000 1.019 356 A HN 0.606 nan 8.150 nan 0.000 0.507 357 T N -0.024 114.541 114.554 0.017 0.000 2.977 357 T HA 0.380 4.730 4.350 -0.000 0.000 0.152 357 T C 0.595 175.311 174.700 0.027 0.000 0.867 357 T CA 0.444 62.555 62.100 0.018 0.000 0.917 357 T CB 0.002 68.880 68.868 0.017 0.000 2.051 357 T HN 0.456 nan 8.240 nan 0.000 0.350 358 S N 1.657 117.381 115.700 0.041 0.000 2.565 358 S HA 0.410 4.880 4.470 -0.000 0.000 0.290 358 S C 0.452 175.102 174.600 0.084 0.000 1.150 358 S CA -0.484 57.754 58.200 0.062 0.000 1.058 358 S CB 1.518 64.763 63.200 0.075 0.000 1.032 358 S HN 0.599 nan 8.310 nan 0.000 0.510 359 D N 0.357 120.812 120.400 0.092 0.000 2.263 359 D HA -0.125 4.515 4.640 -0.000 0.000 0.208 359 D C 1.242 177.601 176.300 0.097 0.000 0.971 359 D CA 1.254 55.301 54.000 0.078 0.000 0.867 359 D CB -0.018 40.825 40.800 0.072 0.000 0.929 359 D HN 0.634 nan 8.370 nan 0.000 0.492 360 Y N 1.153 121.456 120.300 0.004 0.000 2.114 360 Y HA -0.193 4.357 4.550 -0.000 0.000 0.284 360 Y C 2.047 177.948 175.900 0.002 0.000 1.143 360 Y CA 1.804 59.907 58.100 0.006 0.000 1.135 360 Y CB -0.208 38.256 38.460 0.007 0.000 0.980 360 Y HN 0.004 nan 8.280 nan 0.000 0.499 361 D N -0.382 120.119 120.400 0.167 0.000 2.106 361 D HA -0.219 4.421 4.640 -0.000 0.000 0.191 361 D C 2.246 178.557 176.300 0.019 0.000 0.997 361 D CA 1.629 55.676 54.000 0.079 0.000 0.834 361 D CB -0.325 40.512 40.800 0.061 0.000 0.956 361 D HN 0.368 nan 8.370 nan 0.000 0.448 362 R N 0.560 121.070 120.500 0.015 0.000 2.117 362 R HA -0.131 4.209 4.340 -0.000 0.000 0.243 362 R C 2.181 178.463 176.300 -0.029 0.000 1.143 362 R CA 0.920 57.017 56.100 -0.004 0.000 0.968 362 R CB -0.022 30.279 30.300 0.002 0.000 0.863 362 R HN 0.242 nan 8.270 nan 0.000 0.444 363 E N 0.676 120.839 120.200 -0.061 0.000 2.047 363 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 363 E C 1.870 178.416 176.600 -0.091 0.000 0.987 363 E CA 0.990 57.331 56.400 -0.098 0.000 0.799 363 E CB -0.055 29.533 29.700 -0.187 0.000 0.752 363 E HN 0.180 nan 8.360 nan 0.000 0.449 364 K N 0.727 121.068 120.400 -0.099 0.000 2.097 364 K HA -0.029 4.291 4.320 -0.000 0.000 0.206 364 K C 2.391 178.972 176.600 -0.032 0.000 1.049 364 K CA 0.556 56.805 56.287 -0.063 0.000 0.933 364 K CB -0.369 32.105 32.500 -0.043 0.000 0.717 364 K HN 0.183 nan 8.250 nan 0.000 0.442 365 L N 0.967 122.175 121.223 -0.024 0.000 2.156 365 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 365 L C 2.514 179.375 176.870 -0.014 0.000 1.095 365 L CA 0.831 55.661 54.840 -0.015 0.000 0.770 365 L CB -0.344 41.709 42.059 -0.010 0.000 0.914 365 L HN 0.114 nan 8.230 nan 0.000 0.439 366 Q N 0.286 120.075 119.800 -0.019 0.000 2.167 366 Q HA -0.192 4.148 4.340 -0.000 0.000 0.202 366 Q C 1.994 177.987 176.000 -0.012 0.000 0.970 366 Q CA 1.307 57.101 55.803 -0.015 0.000 0.855 366 Q CB -0.032 28.694 28.738 -0.020 0.000 0.911 366 Q HN 0.603 nan 8.270 nan 0.000 0.438 367 E N 0.015 120.206 120.200 -0.015 0.000 2.106 367 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 367 E C 2.091 178.694 176.600 0.005 0.000 0.984 367 E CA 0.479 56.876 56.400 -0.005 0.000 0.806 367 E CB 0.050 29.746 29.700 -0.006 0.000 0.750 367 E HN 0.261 nan 8.360 nan 0.000 0.458 368 R N 0.535 121.035 120.500 -0.001 0.000 2.066 368 R HA -0.097 4.243 4.340 -0.000 0.000 0.232 368 R C 2.685 178.988 176.300 0.005 0.000 1.131 368 R CA 1.576 57.677 56.100 0.002 0.000 0.955 368 R CB -0.607 29.689 30.300 -0.007 0.000 0.851 368 R HN 0.183 nan 8.270 nan 0.000 0.432 369 V N -1.313 118.602 119.914 0.001 0.000 2.626 369 V HA -0.042 4.078 4.120 -0.000 0.000 0.252 369 V C 2.306 178.404 176.094 0.007 0.000 1.067 369 V CA 1.649 63.950 62.300 0.003 0.000 1.081 369 V CB -0.886 30.937 31.823 0.000 0.000 0.686 369 V HN 0.227 nan 8.190 nan 0.000 0.468 370 A N 0.466 123.291 122.820 0.008 0.000 1.969 370 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 370 A C 2.350 179.945 177.584 0.018 0.000 1.169 370 A CA 1.864 53.907 52.037 0.011 0.000 0.635 370 A CB -0.439 18.567 19.000 0.009 0.000 0.810 370 A HN 0.595 nan 8.150 nan 0.000 0.445 371 K N -1.023 119.392 120.400 0.024 0.000 2.062 371 K HA 0.063 4.383 4.320 -0.000 0.000 0.205 371 K C 0.242 176.862 176.600 0.034 0.000 1.051 371 K CA 0.323 56.632 56.287 0.037 0.000 0.941 371 K CB -0.307 32.223 32.500 0.050 0.000 0.719 371 K HN 0.300 nan 8.250 nan 0.000 0.440 376 V N 0.639 120.559 119.914 0.010 0.000 2.448 376 V HA 0.680 4.800 4.120 -0.000 0.000 0.295 376 V C 0.639 176.738 176.094 0.008 0.000 1.025 376 V CA -0.327 61.979 62.300 0.011 0.000 0.859 376 V CB 1.294 33.124 31.823 0.012 0.000 0.988 376 V HN 1.435 nan 8.190 nan 0.000 0.431 377 A N 5.090 127.915 122.820 0.008 0.000 2.376 377 A HA 0.556 4.876 4.320 -0.000 0.000 0.298 377 A C -0.149 177.439 177.584 0.006 0.000 1.271 377 A CA -0.213 51.828 52.037 0.006 0.000 0.926 377 A CB 0.079 19.082 19.000 0.006 0.000 1.141 377 A HN 0.703 nan 8.150 nan 0.000 0.539 378 V N 5.650 125.566 119.914 0.005 0.000 2.372 378 V HA 0.136 4.256 4.120 -0.000 0.000 0.261 378 V C 0.246 176.342 176.094 0.003 0.000 1.055 378 V CA 0.119 62.421 62.300 0.004 0.000 0.930 378 V CB 0.248 32.072 31.823 0.002 0.000 1.031 378 V HN 0.700 nan 8.190 nan 0.000 0.479 379 I N 6.193 126.765 120.570 0.003 0.000 2.312 379 I HA 0.305 4.475 4.170 -0.000 0.000 0.291 379 I C 0.346 176.464 176.117 0.002 0.000 1.031 379 I CA -0.265 61.037 61.300 0.003 0.000 1.293 379 I CB 0.733 38.735 38.000 0.005 0.000 1.403 379 I HN 0.506 nan 8.210 nan 0.000 0.484 380 K N 7.041 127.442 120.400 0.001 0.000 2.334 380 K HA 0.348 4.668 4.320 -0.000 0.000 0.265 380 K C -0.269 176.331 176.600 -0.000 0.000 1.039 380 K CA -0.660 55.627 56.287 -0.000 0.000 0.920 380 K CB 1.589 34.088 32.500 -0.001 0.000 1.160 380 K HN 0.523 nan 8.250 nan 0.000 0.451 381 V N 0.138 120.052 119.914 -0.000 0.000 3.209 381 V HA 0.101 4.221 4.120 -0.000 0.000 0.305 381 V C 0.837 176.930 176.094 -0.001 0.000 1.127 381 V CA -0.447 61.853 62.300 -0.001 0.000 1.235 381 V CB 0.103 31.925 31.823 -0.001 0.000 0.987 381 V HN 0.790 nan 8.190 nan 0.000 0.499 382 G N 2.481 111.281 108.800 -0.001 0.000 2.298 382 G HA2 0.465 4.425 3.960 -0.000 0.000 0.263 382 G HA3 0.465 4.425 3.960 -0.000 0.000 0.263 382 G C 0.409 175.307 174.900 -0.002 0.000 1.229 382 G CA -0.053 45.046 45.100 -0.002 0.000 0.976 382 G HN 1.807 nan 8.290 nan 0.000 0.459 383 A N 2.935 125.754 122.820 -0.002 0.000 2.906 383 A HA 0.561 4.881 4.320 -0.000 0.000 0.289 383 A C 1.047 178.629 177.584 -0.003 0.000 1.675 383 A CA 0.228 52.264 52.037 -0.003 0.000 1.372 383 A CB -0.284 18.714 19.000 -0.003 0.000 1.091 383 A HN 1.466 nan 8.150 nan 0.000 0.579 384 A N 3.356 126.174 122.820 -0.003 0.000 2.478 384 A HA 0.531 4.851 4.320 -0.000 0.000 0.327 384 A C 1.249 178.831 177.584 -0.003 0.000 1.431 384 A CA 0.246 52.281 52.037 -0.003 0.000 1.014 384 A CB -0.850 18.148 19.000 -0.003 0.000 1.143 384 A HN 2.170 nan 8.150 nan 0.000 0.532 385 T N -0.767 113.786 114.554 -0.003 0.000 6.387 385 T HA -0.336 4.014 4.350 -0.000 0.000 0.290 385 T C 0.474 175.172 174.700 -0.003 0.000 1.901 385 T CA 1.915 64.013 62.100 -0.003 0.000 3.035 385 T CB -2.471 66.395 68.868 -0.003 0.000 1.917 385 T HN 1.381 nan 8.240 nan 0.000 1.121 386 E N -1.677 118.521 120.200 -0.003 0.000 3.680 386 E HA -0.251 4.099 4.350 -0.000 0.000 0.309 386 E C 1.205 177.802 176.600 -0.004 0.000 0.793 386 E CA 1.363 57.761 56.400 -0.003 0.000 1.083 386 E CB -1.753 27.945 29.700 -0.003 0.000 1.548 386 E HN 0.693 nan 8.360 nan 0.000 0.456 387 V N -0.130 119.782 119.914 -0.004 0.000 2.788 387 V HA -0.008 4.112 4.120 -0.000 0.000 0.241 387 V C 1.857 177.948 176.094 -0.004 0.000 1.083 387 V CA 1.177 63.474 62.300 -0.004 0.000 1.103 387 V CB -0.029 31.792 31.823 -0.004 0.000 0.800 387 V HN 0.103 nan 8.190 nan 0.000 0.476 388 E N -0.040 120.158 120.200 -0.004 0.000 2.427 388 E HA -0.015 4.335 4.350 -0.000 0.000 0.196 388 E C 2.088 178.685 176.600 -0.004 0.000 1.028 388 E CA 0.530 56.928 56.400 -0.004 0.000 0.864 388 E CB -0.134 29.564 29.700 -0.004 0.000 0.813 388 E HN 0.432 nan 8.360 nan 0.000 0.514 389 M N 0.461 120.059 119.600 -0.004 0.000 2.149 389 M HA -0.180 4.300 4.480 -0.000 0.000 0.261 389 M C 1.665 177.963 176.300 -0.004 0.000 1.064 389 M CA 1.348 56.646 55.300 -0.003 0.000 1.102 389 M CB -0.251 32.346 32.600 -0.004 0.000 1.369 389 M HN -0.092 nan 8.290 nan 0.000 0.408 390 K N 0.040 120.438 120.400 -0.004 0.000 2.103 390 K HA -0.155 4.165 4.320 -0.000 0.000 0.204 390 K C 1.763 178.360 176.600 -0.005 0.000 1.052 390 K CA 1.095 57.379 56.287 -0.005 0.000 0.945 390 K CB -0.280 32.217 32.500 -0.005 0.000 0.722 390 K HN 0.205 nan 8.250 nan 0.000 0.443 391 E N 1.074 121.272 120.200 -0.004 0.000 2.046 391 E HA -0.169 4.181 4.350 -0.000 0.000 0.190 391 E C 1.798 178.396 176.600 -0.003 0.000 0.982 391 E CA 1.501 57.898 56.400 -0.004 0.000 0.800 391 E CB -0.117 29.580 29.700 -0.004 0.000 0.756 391 E HN 0.022 nan 8.360 nan 0.000 0.449 392 K N 0.966 121.364 120.400 -0.003 0.000 2.097 392 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 392 K C 2.110 178.710 176.600 -0.001 0.000 1.049 392 K CA 1.773 58.059 56.287 -0.001 0.000 0.933 392 K CB -0.249 32.250 32.500 -0.002 0.000 0.717 392 K HN 0.115 nan 8.250 nan 0.000 0.442 393 K N -0.505 119.894 120.400 -0.002 0.000 2.026 393 K HA -0.091 4.229 4.320 -0.000 0.000 0.208 393 K C 1.958 178.557 176.600 -0.001 0.000 1.048 393 K CA 1.313 57.599 56.287 -0.002 0.000 0.929 393 K CB -0.294 32.204 32.500 -0.004 0.000 0.713 393 K HN 0.198 nan 8.250 nan 0.000 0.439 394 A N 1.705 124.523 122.820 -0.003 0.000 1.908 394 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 394 A C 2.170 179.754 177.584 0.001 0.000 1.181 394 A CA 1.484 53.519 52.037 -0.004 0.000 0.627 394 A CB -0.616 18.381 19.000 -0.006 0.000 0.818 394 A HN 0.330 nan 8.150 nan 0.000 0.445 395 R N -0.217 120.285 120.500 0.002 0.000 2.096 395 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 395 R C 1.902 178.208 176.300 0.011 0.000 1.127 395 R CA 1.804 57.908 56.100 0.006 0.000 0.968 395 R CB -0.370 29.932 30.300 0.003 0.000 0.861 395 R HN 0.372 nan 8.270 nan 0.000 0.440 396 V N 1.997 121.916 119.914 0.009 0.000 2.379 396 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 396 V C 2.266 178.372 176.094 0.020 0.000 1.044 396 V CA 2.142 64.449 62.300 0.012 0.000 1.036 396 V CB -0.517 31.310 31.823 0.008 0.000 0.664 396 V HN 0.529 nan 8.190 nan 0.000 0.453 397 E N 0.306 120.516 120.200 0.017 0.000 2.150 397 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 397 E C 1.482 178.111 176.600 0.047 0.000 0.985 397 E CA 1.628 58.043 56.400 0.024 0.000 0.814 397 E CB -0.376 29.327 29.700 0.005 0.000 0.752 397 E HN 0.535 nan 8.360 nan 0.000 0.466 398 D N 1.492 121.915 120.400 0.038 0.000 2.123 398 D HA -0.033 4.607 4.640 -0.000 0.000 0.200 398 D C 1.987 178.340 176.300 0.089 0.000 0.976 398 D CA 1.719 55.756 54.000 0.062 0.000 0.831 398 D CB -0.167 40.654 40.800 0.035 0.000 0.974 398 D HN 0.339 nan 8.370 nan 0.000 0.469 399 A N 0.231 123.083 122.820 0.054 0.000 1.929 399 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 399 A C 2.013 179.620 177.584 0.039 0.000 1.176 399 A CA 0.722 52.782 52.037 0.039 0.000 0.628 399 A CB -0.584 18.430 19.000 0.023 0.000 0.816 399 A HN 0.240 nan 8.150 nan 0.000 0.444 400 L N -0.471 120.782 121.223 0.050 0.000 1.994 400 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 400 L C 2.397 179.304 176.870 0.061 0.000 1.071 400 L CA 2.731 57.598 54.840 0.045 0.000 0.745 400 L CB -0.914 41.173 42.059 0.047 0.000 0.892 400 L HN 0.647 nan 8.230 nan 0.000 0.431 401 H N -0.466 118.603 119.070 -0.000 0.000 2.352 401 H HA -0.170 4.386 4.556 -0.000 0.000 0.299 401 H C 1.832 177.162 175.328 0.004 0.000 1.097 401 H CA 1.654 57.702 56.048 0.001 0.000 1.311 401 H CB 0.253 30.015 29.762 -0.001 0.000 1.377 401 H HN 0.496 nan 8.280 nan 0.000 0.504 402 A N 0.066 122.838 122.820 -0.080 0.000 1.930 402 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 402 A C 2.602 180.126 177.584 -0.100 0.000 1.175 402 A CA 1.718 53.683 52.037 -0.120 0.000 0.627 402 A CB -0.824 18.169 19.000 -0.010 0.000 0.815 402 A HN 0.522 nan 8.150 nan 0.000 0.443 403 T N -0.129 114.393 114.554 -0.054 0.000 2.777 403 T HA -0.111 4.239 4.350 -0.000 0.000 0.266 403 T C 2.029 176.697 174.700 -0.053 0.000 1.040 403 T CA 1.405 63.482 62.100 -0.040 0.000 1.141 403 T CB -0.231 68.628 68.868 -0.016 0.000 0.868 403 T HN 0.514 nan 8.240 nan 0.000 0.444 404 R N 1.182 121.644 120.500 -0.064 0.000 2.096 404 R HA 0.045 4.385 4.340 -0.000 0.000 0.235 404 R C 2.787 179.038 176.300 -0.081 0.000 1.127 404 R CA 1.267 57.332 56.100 -0.059 0.000 0.968 404 R CB -0.465 29.809 30.300 -0.043 0.000 0.861 404 R HN 0.357 nan 8.270 nan 0.000 0.440 405 A N 1.314 124.049 122.820 -0.141 0.000 1.930 405 A HA -0.032 4.288 4.320 -0.000 0.000 0.217 405 A C 2.351 179.888 177.584 -0.079 0.000 1.175 405 A CA 1.489 53.447 52.037 -0.132 0.000 0.627 405 A CB -0.420 18.455 19.000 -0.209 0.000 0.815 405 A HN 0.376 nan 8.150 nan 0.000 0.443 406 A N -0.644 122.134 122.820 -0.069 0.000 1.968 406 A HA 0.093 4.413 4.320 -0.000 0.000 0.217 406 A C 2.171 179.736 177.584 -0.033 0.000 1.169 406 A CA 1.524 53.535 52.037 -0.043 0.000 0.638 406 A CB -0.693 18.286 19.000 -0.036 0.000 0.812 406 A HN 0.326 nan 8.150 nan 0.000 0.446 407 V N 1.285 121.179 119.914 -0.033 0.000 2.358 407 V HA -0.170 3.950 4.120 -0.000 0.000 0.246 407 V C 1.525 177.606 176.094 -0.022 0.000 1.047 407 V CA 1.716 64.002 62.300 -0.024 0.000 1.035 407 V CB -0.915 30.895 31.823 -0.021 0.000 0.658 407 V HN 0.858 nan 8.190 nan 0.000 0.452 412 V N -0.555 119.363 119.914 0.007 0.000 3.141 412 V HA 1.067 5.187 4.120 -0.000 0.000 0.312 412 V C 0.644 176.745 176.094 0.012 0.000 1.157 412 V CA -0.630 61.677 62.300 0.011 0.000 1.041 412 V CB 1.495 33.325 31.823 0.012 0.000 1.071 412 V HN 2.603 nan 8.190 nan 0.000 0.441 413 A N 1.072 123.901 122.820 0.016 0.000 2.524 413 A HA 0.632 4.952 4.320 -0.000 0.000 0.250 413 A C 0.888 178.479 177.584 0.012 0.000 1.078 413 A CA 0.612 52.659 52.037 0.015 0.000 0.761 413 A CB -0.580 18.435 19.000 0.025 0.000 1.012 413 A HN 1.917 nan 8.150 nan 0.000 0.500 414 G N 0.823 109.626 108.800 0.005 0.000 2.516 414 G HA2 0.508 4.468 3.960 -0.000 0.000 0.276 414 G HA3 0.508 4.468 3.960 -0.000 0.000 0.276 414 G C 1.178 176.081 174.900 0.005 0.000 1.390 414 G CA -0.012 45.090 45.100 0.003 0.000 1.050 414 G HN 2.254 nan 8.290 nan 0.000 0.519 415 G N -2.298 106.505 108.800 0.005 0.000 2.168 415 G HA2 0.204 4.164 3.960 -0.000 0.000 0.257 415 G HA3 0.204 4.164 3.960 -0.000 0.000 0.257 415 G C 1.515 176.432 174.900 0.027 0.000 0.997 415 G CA 1.138 46.246 45.100 0.014 0.000 0.708 415 G HN 2.514 nan 8.290 nan 0.000 0.520 416 G N -2.244 106.570 108.800 0.023 0.000 2.155 416 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.257 416 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.257 416 G C 1.815 176.734 174.900 0.031 0.000 0.983 416 G CA 1.948 47.064 45.100 0.026 0.000 0.676 416 G HN 2.227 nan 8.290 nan 0.000 0.528 417 V N -2.594 117.341 119.914 0.034 0.000 2.719 417 V HA 0.433 4.553 4.120 -0.000 0.000 0.252 417 V C 2.760 178.879 176.094 0.041 0.000 1.065 417 V CA 1.743 64.069 62.300 0.043 0.000 1.086 417 V CB -0.702 31.149 31.823 0.046 0.000 0.700 417 V HN 1.298 nan 8.190 nan 0.000 0.467 418 A N 1.189 124.028 122.820 0.032 0.000 1.858 418 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 418 A C 2.237 179.837 177.584 0.026 0.000 1.190 418 A CA 2.278 54.331 52.037 0.028 0.000 0.617 418 A CB -0.775 18.238 19.000 0.021 0.000 0.827 418 A HN 0.567 nan 8.150 nan 0.000 0.443 419 L N -0.594 120.643 121.223 0.024 0.000 2.083 419 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 419 L C 2.475 179.360 176.870 0.024 0.000 1.083 419 L CA 1.050 55.903 54.840 0.021 0.000 0.752 419 L CB -0.445 41.626 42.059 0.020 0.000 0.899 419 L HN 0.397 nan 8.230 nan 0.000 0.433 420 I N -0.542 120.046 120.570 0.030 0.000 2.252 420 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 420 I C 2.818 178.956 176.117 0.036 0.000 1.102 420 I CA 1.092 62.412 61.300 0.034 0.000 1.385 420 I CB -0.270 37.756 38.000 0.043 0.000 1.064 420 I HN 0.264 nan 8.210 nan 0.000 0.414 421 R N 0.639 121.163 120.500 0.040 0.000 2.115 421 R HA -0.116 4.224 4.340 -0.000 0.000 0.230 421 R C 2.175 178.492 176.300 0.028 0.000 1.111 421 R CA 1.128 57.252 56.100 0.039 0.000 0.976 421 R CB 0.042 30.369 30.300 0.045 0.000 0.870 421 R HN 0.160 nan 8.270 nan 0.000 0.445 422 V N 0.760 120.688 119.914 0.023 0.000 2.453 422 V HA -0.127 3.993 4.120 -0.000 0.000 0.247 422 V C 2.388 178.491 176.094 0.015 0.000 1.048 422 V CA 1.716 64.027 62.300 0.017 0.000 1.049 422 V CB -0.376 31.455 31.823 0.014 0.000 0.672 422 V HN 0.490 nan 8.190 nan 0.000 0.457 423 A N -0.354 122.477 122.820 0.017 0.000 1.969 423 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 423 A C 2.447 180.040 177.584 0.014 0.000 1.169 423 A CA 1.982 54.028 52.037 0.015 0.000 0.635 423 A CB -0.509 18.501 19.000 0.016 0.000 0.810 423 A HN 0.509 nan 8.150 nan 0.000 0.445 424 S N -0.006 115.705 115.700 0.018 0.000 2.383 424 S HA -0.097 4.373 4.470 -0.000 0.000 0.227 424 S C 1.925 176.533 174.600 0.012 0.000 1.026 424 S CA 1.209 59.418 58.200 0.016 0.000 0.981 424 S CB -0.111 63.102 63.200 0.021 0.000 0.818 424 S HN 0.514 nan 8.310 nan 0.000 0.472 425 K N 1.565 121.972 120.400 0.012 0.000 2.097 425 K HA 0.107 4.427 4.320 -0.000 0.000 0.205 425 K C 1.477 178.082 176.600 0.007 0.000 1.050 425 K CA 0.737 57.029 56.287 0.009 0.000 0.938 425 K CB -0.548 31.958 32.500 0.010 0.000 0.718 425 K HN 0.401 nan 8.250 nan 0.000 0.442 426 L N 1.002 122.229 121.223 0.007 0.000 2.660 426 L HA 0.148 4.488 4.340 -0.000 0.000 0.238 426 L C 1.894 178.767 176.870 0.006 0.000 1.161 426 L CA -0.190 54.653 54.840 0.006 0.000 0.937 426 L CB -0.546 41.516 42.059 0.005 0.000 1.122 426 L HN -0.021 nan 8.230 nan 0.000 0.435 427 A N -0.082 122.741 122.820 0.006 0.000 2.070 427 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 427 A C 1.682 179.268 177.584 0.004 0.000 1.159 427 A CA 1.312 53.352 52.037 0.005 0.000 0.656 427 A CB -0.163 18.841 19.000 0.005 0.000 0.800 427 A HN 0.416 nan 8.150 nan 0.000 0.453 428 D N -0.983 119.419 120.400 0.003 0.000 2.349 428 D HA 0.120 4.760 4.640 -0.000 0.000 0.214 428 D C 0.034 176.335 176.300 0.002 0.000 1.063 428 D CA -0.234 53.768 54.000 0.003 0.000 0.847 428 D CB 0.145 40.946 40.800 0.002 0.000 0.933 428 D HN 0.336 nan 8.370 nan 0.000 0.513 429 L N 2.267 123.492 121.223 0.003 0.000 2.462 429 L HA 0.063 4.403 4.340 -0.000 0.000 0.272 429 L C 0.096 176.968 176.870 0.002 0.000 1.166 429 L CA 0.534 55.376 54.840 0.002 0.000 0.880 429 L CB 0.129 42.189 42.059 0.003 0.000 1.142 429 L HN -0.239 nan 8.230 nan 0.000 0.473 430 R N 3.170 123.671 120.500 0.002 0.000 2.912 430 R HA 0.804 5.144 4.340 -0.000 0.000 0.262 430 R C -0.146 176.155 176.300 0.002 0.000 1.057 430 R CA -0.400 55.701 56.100 0.002 0.000 0.981 430 R CB 1.379 31.680 30.300 0.002 0.000 1.201 430 R HN 0.795 nan 8.270 nan 0.000 0.484 431 G N -0.626 108.176 108.800 0.002 0.000 3.251 431 G HA2 0.247 4.207 3.960 -0.000 0.000 0.248 431 G HA3 0.247 4.207 3.960 -0.000 0.000 0.248 431 G C -0.161 174.740 174.900 0.002 0.000 1.320 431 G CA -0.340 44.761 45.100 0.002 0.000 0.982 431 G HN 0.379 nan 8.290 nan 0.000 0.575 432 Q N -0.579 119.222 119.800 0.002 0.000 2.435 432 Q HA 0.104 4.444 4.340 -0.000 0.000 0.207 432 Q C 0.162 176.164 176.000 0.002 0.000 0.956 432 Q CA 0.993 56.797 55.803 0.002 0.000 0.917 432 Q CB -0.016 28.723 28.738 0.003 0.000 0.997 432 Q HN 0.607 nan 8.270 nan 0.000 0.497 433 N N -2.689 116.012 118.700 0.003 0.000 3.179 433 N HA 0.068 4.808 4.740 -0.000 0.000 0.250 433 N C -0.535 174.977 175.510 0.003 0.000 1.507 433 N CA -0.611 52.441 53.050 0.003 0.000 0.883 433 N CB 0.467 38.955 38.487 0.003 0.000 1.435 433 N HN -0.331 nan 8.380 nan 0.000 0.532 434 E N -0.290 119.911 120.200 0.003 0.000 2.051 434 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 434 E C 0.454 177.056 176.600 0.003 0.000 0.991 434 E CA 1.687 58.088 56.400 0.003 0.000 0.799 434 E CB -0.236 29.466 29.700 0.003 0.000 0.748 434 E HN 0.543 nan 8.360 nan 0.000 0.449 435 D N 0.403 120.805 120.400 0.004 0.000 2.144 435 D HA -0.153 4.487 4.640 -0.000 0.000 0.199 435 D C 1.803 178.106 176.300 0.005 0.000 0.984 435 D CA 0.951 54.953 54.000 0.005 0.000 0.834 435 D CB -0.194 40.609 40.800 0.005 0.000 0.955 435 D HN 0.301 nan 8.370 nan 0.000 0.465 436 Q N -0.005 119.798 119.800 0.004 0.000 2.230 436 Q HA -0.035 4.305 4.340 -0.000 0.000 0.202 436 Q C 1.627 177.630 176.000 0.004 0.000 0.963 436 Q CA 0.606 56.412 55.803 0.004 0.000 0.866 436 Q CB -0.142 28.598 28.738 0.004 0.000 0.931 436 Q HN 0.425 nan 8.270 nan 0.000 0.452 437 N N -0.397 118.305 118.700 0.004 0.000 2.216 437 N HA -0.099 4.641 4.740 -0.000 0.000 0.183 437 N C 1.745 177.258 175.510 0.004 0.000 1.017 437 N CA 0.680 53.733 53.050 0.004 0.000 0.861 437 N CB 0.257 38.746 38.487 0.003 0.000 0.986 437 N HN -0.042 nan 8.380 nan 0.000 0.428 438 V N 0.661 120.578 119.914 0.004 0.000 2.358 438 V HA -0.128 3.992 4.120 -0.000 0.000 0.246 438 V C 2.423 178.520 176.094 0.005 0.000 1.047 438 V CA 2.027 64.330 62.300 0.005 0.000 1.035 438 V CB -1.126 30.700 31.823 0.005 0.000 0.658 438 V HN 0.402 nan 8.190 nan 0.000 0.452 439 G N -0.098 108.706 108.800 0.006 0.000 2.442 439 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.219 439 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.219 439 G C 1.589 176.492 174.900 0.006 0.000 1.141 439 G CA 1.020 46.123 45.100 0.006 0.000 0.763 439 G HN 0.479 nan 8.290 nan 0.000 0.554 440 I N 0.346 120.919 120.570 0.005 0.000 2.179 440 I HA -0.150 4.020 4.170 -0.000 0.000 0.242 440 I C 2.629 178.749 176.117 0.005 0.000 1.088 440 I CA 1.076 62.379 61.300 0.005 0.000 1.357 440 I CB -0.079 37.923 38.000 0.004 0.000 1.051 440 I HN 0.015 nan 8.210 nan 0.000 0.409 441 K N 0.447 120.850 120.400 0.005 0.000 2.211 441 K HA -0.051 4.269 4.320 -0.000 0.000 0.203 441 K C 2.075 178.679 176.600 0.007 0.000 1.050 441 K CA 0.912 57.202 56.287 0.006 0.000 0.945 441 K CB -0.564 31.939 32.500 0.005 0.000 0.732 441 K HN 0.235 nan 8.250 nan 0.000 0.451 442 V N 1.532 121.450 119.914 0.007 0.000 2.343 442 V HA -0.218 3.902 4.120 -0.000 0.000 0.247 442 V C 2.440 178.539 176.094 0.009 0.000 1.051 442 V CA 1.939 64.244 62.300 0.008 0.000 1.036 442 V CB -0.710 31.118 31.823 0.008 0.000 0.654 442 V HN 0.272 nan 8.190 nan 0.000 0.451 443 A N -0.236 122.589 122.820 0.008 0.000 1.898 443 A HA -0.076 4.244 4.320 -0.000 0.000 0.216 443 A C 2.167 179.756 177.584 0.009 0.000 1.181 443 A CA 1.439 53.481 52.037 0.009 0.000 0.620 443 A CB -0.447 18.557 19.000 0.007 0.000 0.819 443 A HN 0.500 nan 8.150 nan 0.000 0.442 444 L N -1.289 119.939 121.223 0.008 0.000 2.141 444 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 444 L C 2.753 179.630 176.870 0.011 0.000 1.094 444 L CA 1.166 56.011 54.840 0.009 0.000 0.763 444 L CB -0.469 41.595 42.059 0.009 0.000 0.908 444 L HN 0.342 nan 8.230 nan 0.000 0.437 445 R N 0.002 120.508 120.500 0.010 0.000 2.153 445 R HA -0.006 4.334 4.340 -0.000 0.000 0.218 445 R C 2.371 178.678 176.300 0.011 0.000 1.072 445 R CA 1.005 57.111 56.100 0.010 0.000 0.990 445 R CB -0.235 30.070 30.300 0.008 0.000 0.889 445 R HN 0.296 nan 8.270 nan 0.000 0.452 446 A N 0.560 123.387 122.820 0.011 0.000 2.066 446 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 446 A C 1.886 179.478 177.584 0.014 0.000 1.157 446 A CA 0.823 52.868 52.037 0.013 0.000 0.670 446 A CB -0.247 18.762 19.000 0.014 0.000 0.804 446 A HN 0.180 nan 8.150 nan 0.000 0.453 447 M N -0.563 119.046 119.600 0.014 0.000 2.630 447 M HA -0.040 4.440 4.480 -0.000 0.000 0.254 447 M C 1.226 177.537 176.300 0.018 0.000 1.092 447 M CA 0.855 56.164 55.300 0.016 0.000 1.087 447 M CB -0.081 32.528 32.600 0.015 0.000 1.453 447 M HN 0.442 nan 8.290 nan 0.000 0.509 448 E N 0.097 120.307 120.200 0.016 0.000 2.415 448 E HA 0.106 4.456 4.350 -0.000 0.000 0.197 448 E C 2.094 178.702 176.600 0.013 0.000 1.007 448 E CA 0.347 56.757 56.400 0.016 0.000 0.890 448 E CB 0.154 29.863 29.700 0.014 0.000 0.891 448 E HN 0.459 nan 8.360 nan 0.000 0.496 449 A N 2.576 125.403 122.820 0.013 0.000 1.903 449 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 449 A C -0.322 177.269 177.584 0.012 0.000 1.191 449 A CA 1.530 53.574 52.037 0.011 0.000 0.638 449 A CB -1.509 17.499 19.000 0.012 0.000 0.823 449 A HN 0.121 nan 8.150 nan 0.000 0.451 450 P HA -0.168 nan 4.420 nan 0.000 0.214 450 P C 1.837 179.147 177.300 0.017 0.000 1.163 450 P CA 1.166 64.276 63.100 0.017 0.000 0.889 450 P CB -0.123 31.589 31.700 0.019 0.000 0.790 451 L N -0.758 120.476 121.223 0.019 0.000 2.046 451 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 451 L C 2.414 179.288 176.870 0.006 0.000 1.077 451 L CA 1.700 56.553 54.840 0.021 0.000 0.747 451 L CB -0.318 41.757 42.059 0.026 0.000 0.896 451 L HN -0.199 nan 8.230 nan 0.000 0.432 452 R N -0.810 119.690 120.500 -0.000 0.000 2.120 452 R HA -0.210 4.130 4.340 -0.000 0.000 0.234 452 R C 2.280 178.575 176.300 -0.008 0.000 1.123 452 R CA 1.525 57.618 56.100 -0.012 0.000 0.975 452 R CB -0.256 30.040 30.300 -0.007 0.000 0.866 452 R HN 0.397 nan 8.270 nan 0.000 0.446 453 Q N 0.891 120.693 119.800 0.002 0.000 2.137 453 Q HA 0.010 4.350 4.340 -0.000 0.000 0.198 453 Q C 1.789 177.794 176.000 0.008 0.000 0.960 453 Q CA 1.251 57.056 55.803 0.004 0.000 0.847 453 Q CB 0.040 28.782 28.738 0.007 0.000 0.915 453 Q HN 0.314 nan 8.270 nan 0.000 0.448 454 I N -0.701 119.878 120.570 0.015 0.000 2.226 454 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 454 I C 1.895 178.035 176.117 0.038 0.000 1.100 454 I CA 0.823 62.140 61.300 0.028 0.000 1.374 454 I CB -0.175 37.849 38.000 0.040 0.000 1.057 454 I HN 0.040 nan 8.210 nan 0.000 0.413 455 V N 0.545 120.472 119.914 0.020 0.000 2.427 455 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 455 V C 2.354 178.441 176.094 -0.011 0.000 1.051 455 V CA 1.337 63.631 62.300 -0.010 0.000 1.048 455 V CB -0.484 31.265 31.823 -0.123 0.000 0.666 455 V HN 0.344 nan 8.190 nan 0.000 0.456 456 L N 0.906 122.122 121.223 -0.011 0.000 2.083 456 L HA -0.127 4.213 4.340 -0.000 0.000 0.209 456 L C 2.109 178.980 176.870 0.002 0.000 1.083 456 L CA 1.901 56.736 54.840 -0.008 0.000 0.752 456 L CB -0.890 41.165 42.059 -0.006 0.000 0.899 456 L HN 0.314 nan 8.230 nan 0.000 0.433 457 N N -1.357 117.347 118.700 0.008 0.000 2.331 457 N HA -0.120 4.620 4.740 -0.000 0.000 0.180 457 N C 1.823 177.342 175.510 0.014 0.000 1.019 457 N CA 1.430 54.485 53.050 0.010 0.000 0.881 457 N CB -0.605 37.888 38.487 0.010 0.000 0.972 457 N HN 0.415 nan 8.380 nan 0.000 0.435 458 C N -0.610 118.706 119.300 0.026 0.000 2.432 458 C HA 0.138 4.598 4.460 -0.000 0.000 0.280 458 C C 1.852 176.857 174.990 0.026 0.000 1.353 458 C CA 0.887 59.927 59.018 0.037 0.000 1.766 458 C CB -1.026 26.766 27.740 0.086 0.000 1.924 458 C HN 0.656 nan 8.230 nan 0.000 0.509 459 G N -0.171 108.638 108.800 0.016 0.000 2.184 459 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.206 459 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.206 459 G C -0.246 174.658 174.900 0.006 0.000 0.995 459 G CA -0.072 45.033 45.100 0.010 0.000 0.651 459 G HN 0.457 nan 8.290 nan 0.000 0.511 460 E N 0.756 120.956 120.200 -0.000 0.000 2.250 460 E HA 0.424 4.774 4.350 -0.000 0.000 0.265 460 E C 0.164 176.738 176.600 -0.044 0.000 1.033 460 E CA -0.597 55.789 56.400 -0.024 0.000 0.888 460 E CB 0.695 30.363 29.700 -0.052 0.000 1.151 460 E HN 0.523 nan 8.360 nan 0.000 0.412 461 E N 2.882 123.053 120.200 -0.047 0.000 2.166 461 E HA 0.048 4.398 4.350 -0.000 0.000 0.279 461 E C -1.459 175.101 176.600 -0.067 0.000 1.095 461 E CA -1.480 54.895 56.400 -0.042 0.000 0.888 461 E CB 0.739 30.424 29.700 -0.025 0.000 1.041 461 E HN 0.209 nan 8.360 nan 0.000 0.414 462 P HA -0.236 nan 4.420 nan 0.000 0.216 462 P C 1.327 178.599 177.300 -0.046 0.000 1.150 462 P CA 1.311 64.374 63.100 -0.063 0.000 0.837 462 P CB 0.234 31.912 31.700 -0.037 0.000 0.786 463 S N -0.385 115.298 115.700 -0.028 0.000 2.382 463 S HA -0.097 4.373 4.470 -0.000 0.000 0.228 463 S C 2.132 176.724 174.600 -0.013 0.000 1.027 463 S CA 1.409 59.599 58.200 -0.016 0.000 0.991 463 S CB -1.768 61.426 63.200 -0.010 0.000 0.823 463 S HN -0.003 nan 8.310 nan 0.000 0.469 464 V N 1.628 121.531 119.914 -0.018 0.000 2.283 464 V HA -0.085 4.035 4.120 -0.000 0.000 0.243 464 V C 2.669 178.767 176.094 0.008 0.000 1.039 464 V CA 1.469 63.766 62.300 -0.005 0.000 1.016 464 V CB -0.835 30.986 31.823 -0.002 0.000 0.650 464 V HN 0.435 nan 8.190 nan 0.000 0.449 465 V N 0.499 120.391 119.914 -0.036 0.000 2.343 465 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 465 V C 2.732 178.844 176.094 0.031 0.000 1.051 465 V CA 2.025 64.303 62.300 -0.037 0.000 1.036 465 V CB -1.155 30.428 31.823 -0.399 0.000 0.654 465 V HN 0.549 nan 8.190 nan 0.000 0.451 466 A N 0.533 123.350 122.820 -0.006 0.000 1.877 466 A HA -0.302 4.018 4.320 -0.000 0.000 0.216 466 A C 2.080 179.689 177.584 0.042 0.000 1.186 466 A CA 2.365 54.414 52.037 0.021 0.000 0.620 466 A CB -0.896 18.107 19.000 0.005 0.000 0.822 466 A HN 0.619 nan 8.150 nan 0.000 0.443 467 N N -0.569 118.147 118.700 0.027 0.000 2.104 467 N HA -0.136 4.604 4.740 -0.000 0.000 0.190 467 N C 1.645 177.174 175.510 0.033 0.000 1.024 467 N CA 2.430 55.494 53.050 0.023 0.000 0.853 467 N CB -0.429 38.063 38.487 0.009 0.000 1.008 467 N HN 0.396 nan 8.380 nan 0.000 0.424 468 T N -0.641 113.936 114.554 0.039 0.000 2.777 468 T HA -0.048 4.302 4.350 -0.000 0.000 0.266 468 T C 1.907 176.692 174.700 0.142 0.000 1.040 468 T CA 1.210 63.319 62.100 0.014 0.000 1.141 468 T CB -0.312 68.472 68.868 -0.140 0.000 0.868 468 T HN 0.040 nan 8.240 nan 0.000 0.444 469 V N 1.399 121.434 119.914 0.202 0.000 2.427 469 V HA -0.102 4.018 4.120 -0.000 0.000 0.248 469 V C 2.294 178.513 176.094 0.208 0.000 1.051 469 V CA 1.428 63.890 62.300 0.271 0.000 1.048 469 V CB -0.464 31.473 31.823 0.189 0.000 0.666 469 V HN 0.457 nan 8.190 nan 0.000 0.456 470 K N 0.438 120.909 120.400 0.118 0.000 2.283 470 K HA -0.024 4.296 4.320 -0.000 0.000 0.202 470 K C 2.085 178.718 176.600 0.055 0.000 1.048 470 K CA 1.096 57.428 56.287 0.076 0.000 0.948 470 K CB -0.347 32.181 32.500 0.047 0.000 0.742 470 K HN 0.552 nan 8.250 nan 0.000 0.458 471 G N 0.949 109.779 108.800 0.049 0.000 2.494 471 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.216 471 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.216 471 G C 0.796 175.667 174.900 -0.049 0.000 1.140 471 G CA 0.340 45.436 45.100 -0.007 0.000 0.801 471 G HN 0.340 nan 8.290 nan 0.000 0.536 472 G N -0.577 108.222 108.800 -0.001 0.000 2.516 472 G HA2 0.460 4.420 3.960 -0.000 0.000 0.276 472 G HA3 0.460 4.420 3.960 -0.000 0.000 0.276 472 G C -0.874 174.017 174.900 -0.015 0.000 1.390 472 G CA -0.363 44.650 45.100 -0.145 0.000 1.050 472 G HN 0.169 nan 8.290 nan 0.000 0.519 473 D N -1.709 118.693 120.400 0.003 0.000 2.581 473 D HA 0.474 5.114 4.640 -0.000 0.000 0.232 473 D C 0.892 177.250 176.300 0.098 0.000 1.143 473 D CA 0.492 54.515 54.000 0.038 0.000 0.881 473 D CB 1.917 42.711 40.800 -0.010 0.000 1.500 473 D HN 0.780 nan 8.370 nan 0.000 0.458 474 G N 2.039 110.884 108.800 0.075 0.000 2.685 474 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.329 474 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.329 474 G C 0.722 175.683 174.900 0.103 0.000 1.271 474 G CA 0.486 45.632 45.100 0.076 0.000 1.003 474 G HN 0.562 nan 8.290 nan 0.000 0.549 475 N N 0.423 119.183 118.700 0.100 0.000 2.501 475 N HA 0.078 4.818 4.740 -0.000 0.000 0.195 475 N C 0.409 175.999 175.510 0.134 0.000 1.213 475 N CA 0.429 53.536 53.050 0.094 0.000 0.864 475 N CB -0.224 38.302 38.487 0.066 0.000 0.999 475 N HN 0.496 nan 8.380 nan 0.000 0.454 476 Y N 1.134 121.465 120.300 0.051 0.000 2.496 476 Y HA 0.392 4.942 4.550 -0.000 0.000 0.334 476 Y C 0.921 176.888 175.900 0.111 0.000 1.080 476 Y CA -0.105 58.041 58.100 0.076 0.000 1.355 476 Y CB 0.009 38.504 38.460 0.060 0.000 1.193 476 Y HN 0.048 nan 8.280 nan 0.000 0.523 477 G N 4.238 112.854 108.800 -0.307 0.000 2.870 477 G HA2 0.298 4.258 3.960 -0.000 0.000 0.299 477 G HA3 0.298 4.258 3.960 -0.000 0.000 0.299 477 G C -2.419 172.390 174.900 -0.151 0.000 1.324 477 G CA -0.884 44.118 45.100 -0.164 0.000 0.808 477 G HN 0.507 nan 8.290 nan 0.000 0.535 478 Y N 1.339 121.515 120.300 -0.207 0.000 2.328 478 Y HA 0.540 5.090 4.550 -0.000 0.000 0.333 478 Y C -0.223 175.524 175.900 -0.256 0.000 0.958 478 Y CA -1.293 56.593 58.100 -0.356 0.000 1.167 478 Y CB 1.544 39.748 38.460 -0.426 0.000 1.151 478 Y HN 0.422 nan 8.280 nan 0.000 0.470 479 N N 4.762 123.034 118.700 -0.713 0.000 2.402 479 N HA 0.149 4.889 4.740 -0.000 0.000 0.252 479 N C 0.495 175.509 175.510 -0.826 0.000 1.118 479 N CA 0.668 53.384 53.050 -0.556 0.000 0.945 479 N CB 1.505 39.765 38.487 -0.378 0.000 1.147 479 N HN 0.933 nan 8.380 nan 0.000 0.495 480 A N 3.709 126.234 122.820 -0.492 0.000 2.066 480 A HA 0.016 4.336 4.320 -0.000 0.000 0.218 480 A C 1.983 179.439 177.584 -0.213 0.000 1.157 480 A CA 1.433 53.291 52.037 -0.299 0.000 0.670 480 A CB -0.272 18.705 19.000 -0.039 0.000 0.804 480 A HN 0.711 nan 8.150 nan 0.000 0.453 481 A N -0.231 122.468 122.820 -0.202 0.000 1.872 481 A HA -0.030 4.290 4.320 -0.000 0.000 0.214 481 A C 2.306 179.804 177.584 -0.143 0.000 1.187 481 A CA 2.159 54.115 52.037 -0.135 0.000 0.614 481 A CB -0.999 17.937 19.000 -0.107 0.000 0.826 481 A HN 0.723 nan 8.150 nan 0.000 0.442 482 T N -4.446 109.992 114.554 -0.193 0.000 3.086 482 T HA 0.284 4.634 4.350 -0.000 0.000 0.250 482 T C 0.394 174.977 174.700 -0.195 0.000 1.074 482 T CA 0.840 62.843 62.100 -0.161 0.000 0.988 482 T CB 0.102 68.887 68.868 -0.138 0.000 0.988 482 T HN 0.387 nan 8.240 nan 0.000 0.530 483 E N 0.726 120.731 120.200 -0.325 0.000 2.513 483 E HA -0.132 4.218 4.350 -0.000 0.000 0.257 483 E C -0.740 175.671 176.600 -0.315 0.000 1.098 483 E CA 0.590 56.797 56.400 -0.321 0.000 0.752 483 E CB -1.185 28.476 29.700 -0.065 0.000 1.324 483 E HN 0.680 nan 8.360 nan 0.000 0.403 484 E N -0.522 119.395 120.200 -0.472 0.000 2.317 484 E HA 0.334 4.684 4.350 -0.000 0.000 0.270 484 E C -0.491 175.902 176.600 -0.344 0.000 0.885 484 E CA -0.768 55.478 56.400 -0.257 0.000 0.760 484 E CB 0.943 30.573 29.700 -0.116 0.000 1.227 484 E HN 0.076 nan 8.360 nan 0.000 0.434 485 Y N 0.056 120.326 120.300 -0.049 0.000 2.316 485 Y HA 0.616 5.166 4.550 -0.000 0.000 0.324 485 Y C 1.207 177.041 175.900 -0.110 0.000 1.267 485 Y CA 0.517 58.550 58.100 -0.113 0.000 1.311 485 Y CB 1.727 40.160 38.460 -0.046 0.000 1.267 485 Y HN 0.676 nan 8.280 nan 0.000 0.516 486 G N 0.756 109.529 108.800 -0.046 0.000 2.327 486 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.291 486 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.291 486 G C -1.844 173.072 174.900 0.026 0.000 1.290 486 G CA -1.216 43.918 45.100 0.057 0.000 0.857 486 G HN 0.508 nan 8.290 nan 0.000 0.520 487 N N 1.258 120.006 118.700 0.080 0.000 2.399 487 N HA 0.091 4.831 4.740 -0.000 0.000 0.259 487 N C 1.870 177.391 175.510 0.019 0.000 1.160 487 N CA -0.474 52.619 53.050 0.071 0.000 0.946 487 N CB 0.655 39.189 38.487 0.077 0.000 1.156 487 N HN 0.384 nan 8.380 nan 0.000 0.489 488 M N 3.747 123.349 119.600 0.003 0.000 2.089 488 M HA -0.227 4.253 4.480 -0.000 0.000 0.257 488 M C 1.791 178.087 176.300 -0.007 0.000 1.071 488 M CA 1.517 56.808 55.300 -0.016 0.000 1.096 488 M CB -0.725 31.869 32.600 -0.010 0.000 1.330 488 M HN 0.589 nan 8.290 nan 0.000 0.403 489 I N -0.105 120.470 120.570 0.008 0.000 2.315 489 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 489 I C 1.716 177.836 176.117 0.005 0.000 1.117 489 I CA 1.044 62.348 61.300 0.007 0.000 1.404 489 I CB -0.629 37.380 38.000 0.014 0.000 1.071 489 I HN 0.238 nan 8.210 nan 0.000 0.419 490 D N 0.708 121.114 120.400 0.010 0.000 2.219 490 D HA -0.102 4.538 4.640 -0.000 0.000 0.205 490 D C 2.134 178.433 176.300 -0.002 0.000 0.970 490 D CA 1.202 55.207 54.000 0.008 0.000 0.851 490 D CB -0.060 40.750 40.800 0.018 0.000 0.943 490 D HN 0.345 nan 8.370 nan 0.000 0.488 491 M N -0.852 118.741 119.600 -0.011 0.000 2.595 491 M HA 0.149 4.629 4.480 -0.000 0.000 0.248 491 M C 1.063 177.346 176.300 -0.027 0.000 1.119 491 M CA 0.545 55.829 55.300 -0.026 0.000 1.079 491 M CB 0.554 33.126 32.600 -0.046 0.000 1.472 491 M HN 0.067 nan 8.290 nan 0.000 0.501 492 G N 2.040 110.829 108.800 -0.019 0.000 2.136 492 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.242 492 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.242 492 G C 0.023 174.911 174.900 -0.021 0.000 0.989 492 G CA -0.303 44.786 45.100 -0.017 0.000 0.682 492 G HN 0.510 nan 8.290 nan 0.000 0.522 493 I N 1.455 122.010 120.570 -0.024 0.000 2.276 493 I HA 0.431 4.601 4.170 -0.000 0.000 0.290 493 I C 0.585 176.694 176.117 -0.014 0.000 1.109 493 I CA -0.388 60.896 61.300 -0.026 0.000 1.229 493 I CB 0.295 38.271 38.000 -0.041 0.000 1.452 493 I HN 0.005 nan 8.210 nan 0.000 0.497 494 L N 4.699 125.917 121.223 -0.009 0.000 2.319 494 L HA 0.671 5.011 4.340 -0.000 0.000 0.267 494 L C -0.783 176.087 176.870 0.000 0.000 1.011 494 L CA -0.871 53.967 54.840 -0.002 0.000 0.818 494 L CB 1.835 43.893 42.059 -0.001 0.000 1.316 494 L HN 0.314 nan 8.230 nan 0.000 0.432 495 D N 0.718 121.120 120.400 0.004 0.000 2.863 495 D HA 0.349 4.989 4.640 -0.000 0.000 0.245 495 D C -2.642 173.662 176.300 0.007 0.000 1.211 495 D CA -1.304 52.700 54.000 0.007 0.000 0.888 495 D CB 2.712 43.518 40.800 0.010 0.000 1.483 495 D HN 0.083 nan 8.370 nan 0.000 0.533 496 P HA 0.087 nan 4.420 nan 0.000 0.267 496 P C 0.811 178.115 177.300 0.006 0.000 1.205 496 P CA -0.025 63.078 63.100 0.005 0.000 0.765 496 P CB 0.697 32.401 31.700 0.006 0.000 0.828 497 T N 2.219 116.775 114.554 0.002 0.000 2.897 497 T HA -0.198 4.152 4.350 -0.000 0.000 0.271 497 T C 1.582 176.283 174.700 0.001 0.000 1.084 497 T CA 1.189 63.289 62.100 0.001 0.000 1.123 497 T CB -0.224 68.643 68.868 -0.003 0.000 0.865 497 T HN 0.491 nan 8.240 nan 0.000 0.496 498 K N 1.158 121.557 120.400 -0.001 0.000 2.001 498 K HA -0.107 4.213 4.320 -0.000 0.000 0.208 498 K C 2.475 179.088 176.600 0.021 0.000 1.048 498 K CA 1.666 57.954 56.287 0.001 0.000 0.932 498 K CB -0.344 32.150 32.500 -0.010 0.000 0.715 498 K HN 0.359 nan 8.250 nan 0.000 0.437 499 V N -0.898 119.033 119.914 0.028 0.000 2.490 499 V HA -0.163 3.957 4.120 -0.000 0.000 0.250 499 V C 1.885 178.004 176.094 0.041 0.000 1.061 499 V CA 2.215 64.541 62.300 0.044 0.000 1.064 499 V CB -1.005 30.840 31.823 0.038 0.000 0.670 499 V HN 0.258 nan 8.190 nan 0.000 0.461 500 T N 1.969 116.539 114.554 0.026 0.000 2.737 500 T HA -0.127 4.223 4.350 -0.000 0.000 0.265 500 T C 1.956 176.666 174.700 0.017 0.000 1.038 500 T CA 2.276 64.389 62.100 0.022 0.000 1.144 500 T CB -0.310 68.567 68.868 0.015 0.000 0.866 500 T HN 0.819 nan 8.240 nan 0.000 0.434 501 R N 1.292 121.795 120.500 0.006 0.000 2.115 501 R HA 0.103 4.443 4.340 -0.000 0.000 0.226 501 R C 2.380 178.664 176.300 -0.027 0.000 1.100 501 R CA 1.536 57.628 56.100 -0.013 0.000 0.980 501 R CB -0.573 29.712 30.300 -0.024 0.000 0.875 501 R HN 0.119 nan 8.270 nan 0.000 0.445 502 S N 1.161 116.863 115.700 0.003 0.000 2.368 502 S HA -0.030 4.440 4.470 -0.000 0.000 0.224 502 S C 2.191 176.862 174.600 0.119 0.000 1.029 502 S CA 1.035 59.252 58.200 0.028 0.000 0.988 502 S CB -0.224 63.059 63.200 0.138 0.000 0.838 502 S HN 0.573 nan 8.310 nan 0.000 0.462 503 A N 1.229 124.115 122.820 0.110 0.000 1.902 503 A HA -0.032 4.288 4.320 -0.000 0.000 0.217 503 A C 2.128 179.763 177.584 0.085 0.000 1.181 503 A CA 1.297 53.404 52.037 0.116 0.000 0.623 503 A CB -0.629 18.415 19.000 0.073 0.000 0.818 503 A HN 0.414 nan 8.150 nan 0.000 0.443 504 L N -0.365 120.881 121.223 0.038 0.000 2.072 504 L HA -0.140 4.200 4.340 -0.000 0.000 0.205 504 L C 2.514 179.382 176.870 -0.003 0.000 1.079 504 L CA 2.139 56.990 54.840 0.018 0.000 0.752 504 L CB -0.613 41.448 42.059 0.003 0.000 0.906 504 L HN 0.484 nan 8.230 nan 0.000 0.436 505 Q N -1.691 118.073 119.800 -0.060 0.000 2.084 505 Q HA -0.223 4.117 4.340 -0.000 0.000 0.202 505 Q C 2.128 178.056 176.000 -0.120 0.000 0.978 505 Q CA 2.010 57.730 55.803 -0.139 0.000 0.844 505 Q CB -0.317 28.259 28.738 -0.271 0.000 0.898 505 Q HN 0.500 nan 8.270 nan 0.000 0.426 506 Y N 0.064 120.368 120.300 0.007 0.000 2.314 506 Y HA -0.107 4.443 4.550 -0.000 0.000 0.293 506 Y C 2.311 178.214 175.900 0.006 0.000 1.129 506 Y CA 0.812 58.916 58.100 0.006 0.000 1.201 506 Y CB -0.574 37.889 38.460 0.006 0.000 0.999 506 Y HN 0.131 nan 8.280 nan 0.000 0.541 507 A N -0.136 122.776 122.820 0.154 0.000 1.898 507 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 507 A C 2.442 180.064 177.584 0.062 0.000 1.181 507 A CA 1.719 53.810 52.037 0.091 0.000 0.620 507 A CB -1.118 17.921 19.000 0.064 0.000 0.819 507 A HN 0.356 nan 8.150 nan 0.000 0.442 508 A N 0.234 123.080 122.820 0.044 0.000 1.969 508 A HA -0.025 4.295 4.320 -0.000 0.000 0.218 508 A C 2.478 180.080 177.584 0.029 0.000 1.169 508 A CA 2.093 54.145 52.037 0.025 0.000 0.635 508 A CB -0.796 18.208 19.000 0.006 0.000 0.810 508 A HN 0.871 nan 8.150 nan 0.000 0.445 509 S N -0.364 115.362 115.700 0.042 0.000 2.357 509 S HA -0.102 4.368 4.470 -0.000 0.000 0.221 509 S C 1.739 176.372 174.600 0.056 0.000 1.031 509 S CA 1.355 59.584 58.200 0.048 0.000 0.982 509 S CB -0.959 62.283 63.200 0.070 0.000 0.853 509 S HN 0.224 nan 8.310 nan 0.000 0.458 510 V N 2.685 122.642 119.914 0.072 0.000 2.427 510 V HA -0.058 4.062 4.120 -0.000 0.000 0.248 510 V C 3.126 179.243 176.094 0.038 0.000 1.051 510 V CA 1.582 63.914 62.300 0.054 0.000 1.048 510 V CB -1.463 30.393 31.823 0.054 0.000 0.666 510 V HN 0.667 nan 8.190 nan 0.000 0.456 511 A N 0.545 123.388 122.820 0.038 0.000 1.930 511 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 511 A C 2.407 180.006 177.584 0.024 0.000 1.175 511 A CA 1.776 53.830 52.037 0.028 0.000 0.627 511 A CB -1.091 17.925 19.000 0.027 0.000 0.815 511 A HN 0.517 nan 8.150 nan 0.000 0.443 512 G N -0.123 108.692 108.800 0.025 0.000 2.422 512 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.218 512 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.218 512 G C 1.548 176.461 174.900 0.021 0.000 1.146 512 G CA 1.017 46.129 45.100 0.020 0.000 0.769 512 G HN 0.432 nan 8.290 nan 0.000 0.547 513 L N -0.220 121.017 121.223 0.024 0.000 2.027 513 L HA -0.040 4.300 4.340 -0.000 0.000 0.206 513 L C 3.123 180.006 176.870 0.021 0.000 1.074 513 L CA 1.108 55.961 54.840 0.022 0.000 0.745 513 L CB -0.383 41.690 42.059 0.024 0.000 0.898 513 L HN 0.211 nan 8.230 nan 0.000 0.433 514 M N -0.512 119.100 119.600 0.021 0.000 2.159 514 M HA -0.219 4.261 4.480 -0.000 0.000 0.263 514 M C 2.263 178.574 176.300 0.019 0.000 1.063 514 M CA 1.824 57.136 55.300 0.020 0.000 1.110 514 M CB -0.382 32.230 32.600 0.021 0.000 1.374 514 M HN 0.220 nan 8.290 nan 0.000 0.411 515 I N -0.485 120.096 120.570 0.018 0.000 2.493 515 I HA -0.183 3.987 4.170 -0.000 0.000 0.254 515 I C 1.646 177.773 176.117 0.018 0.000 1.160 515 I CA 1.032 62.342 61.300 0.017 0.000 1.445 515 I CB -0.378 37.631 38.000 0.016 0.000 1.086 515 I HN 0.267 nan 8.210 nan 0.000 0.433 516 T N -0.430 114.135 114.554 0.019 0.000 3.129 516 T HA 0.036 4.386 4.350 -0.000 0.000 0.251 516 T C 0.845 175.559 174.700 0.023 0.000 1.117 516 T CA 0.289 62.401 62.100 0.020 0.000 1.034 516 T CB -0.181 68.698 68.868 0.019 0.000 0.968 516 T HN 0.168 nan 8.240 nan 0.000 0.526 517 T N 2.781 117.348 114.554 0.021 0.000 2.834 517 T HA 0.127 4.477 4.350 -0.000 0.000 0.298 517 T C 0.844 175.559 174.700 0.024 0.000 0.966 517 T CA -0.060 62.052 62.100 0.020 0.000 1.141 517 T CB 0.886 69.763 68.868 0.015 0.000 0.905 517 T HN 0.037 nan 8.240 nan 0.000 0.535 518 E N 0.589 120.808 120.200 0.031 0.000 2.539 518 E HA 0.196 4.546 4.350 -0.000 0.000 0.215 518 E C -0.164 176.464 176.600 0.046 0.000 0.965 518 E CA 0.002 56.439 56.400 0.061 0.000 1.019 518 E CB 0.695 30.451 29.700 0.093 0.000 1.059 518 E HN 0.604 nan 8.360 nan 0.000 0.496 519 C N 0.441 119.713 119.300 -0.045 0.000 3.090 519 C HA 0.639 5.099 4.460 -0.000 0.000 0.347 519 C C -1.529 173.366 174.990 -0.158 0.000 1.147 519 C CA -0.606 58.274 59.018 -0.231 0.000 1.305 519 C CB 0.440 27.997 27.740 -0.304 0.000 1.692 519 C HN 0.120 nan 8.230 nan 0.000 0.506 520 M N 5.149 124.648 119.600 -0.168 0.000 2.326 520 M HA 0.640 5.120 4.480 -0.000 0.000 0.306 520 M C -1.059 175.301 176.300 0.100 0.000 1.054 520 M CA -0.571 54.749 55.300 0.034 0.000 0.922 520 M CB 2.140 34.877 32.600 0.227 0.000 1.632 520 M HN 0.417 nan 8.290 nan 0.000 0.436 521 V N 1.774 121.711 119.914 0.038 0.000 2.656 521 V HA 0.804 4.924 4.120 -0.000 0.000 0.307 521 V C -0.400 175.630 176.094 -0.106 0.000 1.051 521 V CA -0.391 61.910 62.300 0.001 0.000 0.893 521 V CB 2.253 34.058 31.823 -0.031 0.000 0.999 521 V HN 0.959 nan 8.190 nan 0.000 0.426 522 T N 1.688 116.133 114.554 -0.182 0.000 2.853 522 T HA 0.295 4.645 4.350 -0.000 0.000 0.311 522 T C -1.180 173.410 174.700 -0.183 0.000 1.307 522 T CA -0.766 61.163 62.100 -0.285 0.000 1.019 522 T CB 1.849 70.339 68.868 -0.629 0.000 1.264 522 T HN 0.646 nan 8.240 nan 0.000 0.497 523 D N 1.690 122.002 120.400 -0.146 0.000 2.458 523 D HA 0.100 4.740 4.640 -0.000 0.000 0.243 523 D C -0.015 176.232 176.300 -0.088 0.000 1.146 523 D CA -0.157 53.789 54.000 -0.089 0.000 0.877 523 D CB 0.925 41.681 40.800 -0.073 0.000 1.176 523 D HN 0.219 nan 8.370 nan 0.000 0.461 524 L N 5.427 126.625 121.223 -0.042 0.000 2.453 524 L HA 0.107 4.447 4.340 -0.000 0.000 0.272 524 L C -1.530 175.330 176.870 -0.017 0.000 1.182 524 L CA -0.613 54.218 54.840 -0.014 0.000 0.858 524 L CB 0.720 42.785 42.059 0.011 0.000 1.120 524 L HN 0.242 nan 8.230 nan 0.000 0.474 525 P HA -0.066 nan 4.420 nan 0.000 0.219 525 P C -0.234 177.066 177.300 0.001 0.000 1.150 525 P CA 1.163 64.259 63.100 -0.006 0.000 0.814 525 P CB 0.173 31.878 31.700 0.008 0.000 0.787 526 K N 0.000 120.406 120.400 0.009 0.000 2.780 526 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 526 K CA 0.000 56.293 56.287 0.010 0.000 0.838 526 K CB 0.000 32.510 32.500 0.016 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543