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 3fbh_1_D DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNKDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.583 177.584 -0.002 0.000 1.274 2 A CA 0.000 52.034 52.037 -0.006 0.000 0.836 2 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 3 A N 2.818 125.639 122.820 0.002 0.000 2.511 3 A HA 0.556 4.876 4.320 -0.000 0.000 0.242 3 A C 0.246 177.834 177.584 0.007 0.000 1.069 3 A CA 0.366 52.408 52.037 0.009 0.000 0.763 3 A CB 0.115 19.123 19.000 0.013 0.000 1.001 3 A HN 0.614 nan 8.150 nan 0.000 0.498 4 K N 1.551 121.961 120.400 0.016 0.000 2.259 4 K HA 0.334 4.654 4.320 -0.000 0.000 0.249 4 K C -1.362 175.266 176.600 0.048 0.000 0.942 4 K CA -0.722 55.574 56.287 0.014 0.000 0.816 4 K CB 2.120 34.624 32.500 0.006 0.000 1.155 4 K HN 0.786 nan 8.250 nan 0.000 0.428 5 D N 1.576 122.017 120.400 0.069 0.000 2.198 5 D HA 0.317 4.957 4.640 -0.000 0.000 0.245 5 D C -1.115 175.343 176.300 0.262 0.000 1.079 5 D CA -0.495 53.607 54.000 0.170 0.000 0.854 5 D CB 1.083 42.038 40.800 0.259 0.000 1.148 5 D HN 0.090 nan 8.370 nan 0.000 0.456 6 V N 4.221 124.240 119.914 0.175 0.000 2.531 6 V HA 0.463 4.583 4.120 -0.000 0.000 0.301 6 V C 0.004 176.027 176.094 -0.118 0.000 1.034 6 V CA -0.895 61.428 62.300 0.039 0.000 0.865 6 V CB 1.773 33.559 31.823 -0.062 0.000 0.995 6 V HN 0.422 nan 8.190 nan 0.000 0.424 7 K N 3.712 123.928 120.400 -0.307 0.000 2.316 7 K HA 0.765 5.085 4.320 -0.000 0.000 0.251 7 K C -1.620 174.724 176.600 -0.428 0.000 0.934 7 K CA -0.479 55.596 56.287 -0.354 0.000 0.802 7 K CB 2.557 34.683 32.500 -0.622 0.000 1.171 7 K HN 0.481 nan 8.250 nan 0.000 0.426 8 F N -0.042 119.867 119.950 -0.068 0.000 2.579 8 F HA 0.466 4.993 4.527 -0.000 0.000 0.324 8 F C 1.206 176.984 175.800 -0.037 0.000 1.058 8 F CA 0.082 58.062 58.000 -0.032 0.000 0.944 8 F CB 1.905 40.895 39.000 -0.018 0.000 1.245 8 F HN 0.825 nan 8.300 nan 0.000 0.477 9 G N 1.837 110.748 108.800 0.184 0.000 2.583 9 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.292 9 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.292 9 G C 1.035 175.962 174.900 0.045 0.000 1.203 9 G CA 0.602 45.762 45.100 0.100 0.000 0.987 9 G HN 0.751 nan 8.290 nan 0.000 0.554 10 N N 0.900 119.618 118.700 0.030 0.000 2.331 10 N HA -0.099 4.641 4.740 -0.000 0.000 0.180 10 N C 1.776 177.281 175.510 -0.009 0.000 1.019 10 N CA 1.813 54.868 53.050 0.009 0.000 0.881 10 N CB -0.279 38.212 38.487 0.007 0.000 0.972 10 N HN 0.517 nan 8.380 nan 0.000 0.435 11 D N 0.514 120.905 120.400 -0.015 0.000 2.123 11 D HA -0.072 4.568 4.640 -0.000 0.000 0.196 11 D C 1.774 178.013 176.300 -0.103 0.000 0.992 11 D CA 1.397 55.363 54.000 -0.055 0.000 0.833 11 D CB -0.140 40.627 40.800 -0.055 0.000 0.954 11 D HN 0.345 nan 8.370 nan 0.000 0.455 12 A N 0.417 123.179 122.820 -0.098 0.000 1.855 12 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 12 A C 2.272 179.833 177.584 -0.038 0.000 1.191 12 A CA 1.301 53.273 52.037 -0.110 0.000 0.613 12 A CB -0.488 18.462 19.000 -0.082 0.000 0.829 12 A HN 0.174 nan 8.150 nan 0.000 0.442 13 R N -0.203 120.288 120.500 -0.015 0.000 2.117 13 R HA -0.172 4.168 4.340 -0.000 0.000 0.243 13 R C 2.090 178.391 176.300 0.001 0.000 1.143 13 R CA 1.834 57.936 56.100 0.002 0.000 0.968 13 R CB -0.814 29.490 30.300 0.007 0.000 0.863 13 R HN 0.624 nan 8.270 nan 0.000 0.444 14 V N -0.966 118.941 119.914 -0.011 0.000 2.453 14 V HA -0.128 3.992 4.120 -0.000 0.000 0.247 14 V C 1.983 178.076 176.094 -0.002 0.000 1.048 14 V CA 1.335 63.630 62.300 -0.008 0.000 1.049 14 V CB -0.369 31.444 31.823 -0.016 0.000 0.672 14 V HN 0.075 nan 8.190 nan 0.000 0.457 15 K N -0.006 120.390 120.400 -0.007 0.000 2.057 15 K HA 0.017 4.337 4.320 -0.000 0.000 0.206 15 K C 2.229 178.859 176.600 0.051 0.000 1.050 15 K CA 1.902 58.203 56.287 0.024 0.000 0.935 15 K CB -0.455 32.060 32.500 0.026 0.000 0.715 15 K HN 0.499 nan 8.250 nan 0.000 0.439 16 M N 0.422 120.052 119.600 0.050 0.000 2.065 16 M HA -0.214 4.266 4.480 -0.000 0.000 0.259 16 M C 2.282 178.600 176.300 0.031 0.000 1.071 16 M CA 1.376 56.704 55.300 0.047 0.000 1.109 16 M CB -0.424 32.200 32.600 0.041 0.000 1.313 16 M HN 0.037 nan 8.290 nan 0.000 0.408 17 L N 0.330 121.566 121.223 0.022 0.000 2.127 17 L HA -0.203 4.137 4.340 -0.000 0.000 0.211 17 L C 2.380 179.260 176.870 0.016 0.000 1.089 17 L CA 1.838 56.688 54.840 0.017 0.000 0.757 17 L CB -0.635 41.431 42.059 0.012 0.000 0.899 17 L HN 0.159 nan 8.230 nan 0.000 0.434 18 R N -0.349 120.162 120.500 0.017 0.000 2.075 18 R HA -0.031 4.309 4.340 -0.000 0.000 0.232 18 R C 2.206 178.517 176.300 0.019 0.000 1.126 18 R CA 1.523 57.633 56.100 0.017 0.000 0.963 18 R CB -1.177 29.134 30.300 0.018 0.000 0.858 18 R HN 0.427 nan 8.270 nan 0.000 0.435 19 G N 0.304 109.120 108.800 0.026 0.000 2.545 19 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.217 19 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.217 19 G C 1.496 176.405 174.900 0.015 0.000 1.218 19 G CA 1.706 46.819 45.100 0.023 0.000 0.787 19 G HN 0.365 nan 8.290 nan 0.000 0.571 20 V N 0.099 120.022 119.914 0.016 0.000 2.324 20 V HA -0.264 3.856 4.120 -0.000 0.000 0.250 20 V C 2.349 178.449 176.094 0.009 0.000 1.060 20 V CA 2.500 64.807 62.300 0.012 0.000 1.042 20 V CB -0.796 31.035 31.823 0.014 0.000 0.650 20 V HN 0.263 nan 8.190 nan 0.000 0.450 21 N N 0.990 119.696 118.700 0.010 0.000 2.069 21 N HA -0.123 4.617 4.740 -0.000 0.000 0.191 21 N C 1.860 177.374 175.510 0.006 0.000 1.031 21 N CA 2.004 55.058 53.050 0.008 0.000 0.852 21 N CB -0.773 37.718 38.487 0.008 0.000 1.018 21 N HN 0.537 nan 8.380 nan 0.000 0.423 22 V N 1.867 121.785 119.914 0.006 0.000 2.219 22 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 22 V C 2.472 178.567 176.094 0.002 0.000 1.053 22 V CA 1.474 63.776 62.300 0.004 0.000 1.009 22 V CB -0.867 30.959 31.823 0.005 0.000 0.636 22 V HN 0.205 nan 8.190 nan 0.000 0.445 23 L N 1.023 122.248 121.223 0.002 0.000 1.978 23 L HA -0.231 4.109 4.340 -0.000 0.000 0.218 23 L C 2.471 179.340 176.870 -0.001 0.000 1.075 23 L CA 2.735 57.575 54.840 -0.001 0.000 0.767 23 L CB -1.378 40.681 42.059 -0.000 0.000 0.890 23 L HN 0.276 nan 8.230 nan 0.000 0.434 24 A N -0.913 121.908 122.820 0.002 0.000 1.883 24 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 24 A C 1.978 179.563 177.584 0.002 0.000 1.186 24 A CA 2.097 54.136 52.037 0.003 0.000 0.624 24 A CB -1.021 17.982 19.000 0.005 0.000 0.822 24 A HN 0.604 nan 8.150 nan 0.000 0.444 25 D N -0.165 120.236 120.400 0.002 0.000 2.183 25 D HA 0.060 4.700 4.640 -0.000 0.000 0.203 25 D C 2.175 178.475 176.300 -0.000 0.000 0.969 25 D CA 1.302 55.303 54.000 0.001 0.000 0.842 25 D CB -0.436 40.365 40.800 0.002 0.000 0.957 25 D HN 0.429 nan 8.370 nan 0.000 0.484 26 A N 0.467 123.287 122.820 -0.001 0.000 1.908 26 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 26 A C 2.390 179.972 177.584 -0.003 0.000 1.181 26 A CA 1.501 53.536 52.037 -0.003 0.000 0.627 26 A CB -0.654 18.343 19.000 -0.004 0.000 0.818 26 A HN 0.173 nan 8.150 nan 0.000 0.445 27 V N 1.083 120.995 119.914 -0.003 0.000 2.446 27 V HA -0.202 3.918 4.120 -0.000 0.000 0.244 27 V C 2.426 178.518 176.094 -0.003 0.000 1.039 27 V CA 1.984 64.281 62.300 -0.004 0.000 1.045 27 V CB -0.774 31.046 31.823 -0.005 0.000 0.681 27 V HN 0.835 nan 8.190 nan 0.000 0.459 28 K N 1.825 122.225 120.400 -0.001 0.000 2.280 28 K HA -0.112 4.208 4.320 -0.000 0.000 0.202 28 K C 1.868 178.468 176.600 0.001 0.000 1.047 28 K CA 1.750 58.038 56.287 0.001 0.000 0.942 28 K CB -0.739 31.762 32.500 0.002 0.000 0.739 28 K HN 0.475 nan 8.250 nan 0.000 0.457 29 V N 0.245 120.159 119.914 -0.000 0.000 2.515 29 V HA -0.206 3.914 4.120 -0.000 0.000 0.250 29 V C 2.473 178.567 176.094 -0.001 0.000 1.058 29 V CA 1.931 64.230 62.300 -0.000 0.000 1.064 29 V CB -1.369 30.453 31.823 -0.001 0.000 0.675 29 V HN 0.580 nan 8.190 nan 0.000 0.461 30 T N -2.020 112.533 114.554 -0.002 0.000 3.067 30 T HA 0.149 4.499 4.350 -0.000 0.000 0.261 30 T C 0.738 175.436 174.700 -0.003 0.000 1.110 30 T CA 0.077 62.175 62.100 -0.004 0.000 1.113 30 T CB -0.349 68.516 68.868 -0.006 0.000 0.917 30 T HN 0.333 nan 8.240 nan 0.000 0.499 31 L N 2.632 123.854 121.223 -0.002 0.000 2.490 31 L HA 0.479 4.819 4.340 -0.000 0.000 0.274 31 L C 0.894 177.764 176.870 0.000 0.000 1.201 31 L CA 1.638 56.478 54.840 -0.001 0.000 0.869 31 L CB -0.627 41.434 42.059 0.002 0.000 1.123 31 L HN 0.776 nan 8.230 nan 0.000 0.484 32 G N 3.905 112.704 108.800 -0.002 0.000 2.757 32 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.638 32 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.638 32 G C -2.033 172.862 174.900 -0.009 0.000 1.344 32 G CA -0.365 44.733 45.100 -0.004 0.000 0.855 32 G HN 0.546 nan 8.290 nan 0.000 0.537 33 P HA 0.079 nan 4.420 nan 0.000 0.219 33 P C 1.210 178.502 177.300 -0.013 0.000 1.150 33 P CA 1.169 64.257 63.100 -0.020 0.000 0.814 33 P CB 0.140 31.820 31.700 -0.034 0.000 0.787 34 K N 0.337 120.733 120.400 -0.007 0.000 2.684 34 K HA 0.263 4.583 4.320 -0.000 0.000 0.215 34 K C 0.939 177.539 176.600 0.001 0.000 1.073 34 K CA -0.089 56.197 56.287 -0.001 0.000 1.197 34 K CB -0.249 32.255 32.500 0.007 0.000 0.955 34 K HN 0.076 nan 8.250 nan 0.000 0.473 35 G N 1.161 109.960 108.800 -0.002 0.000 2.614 35 G HA2 0.077 4.037 3.960 -0.000 0.000 0.239 35 G HA3 0.077 4.037 3.960 -0.000 0.000 0.239 35 G C 0.000 174.899 174.900 -0.002 0.000 1.240 35 G CA -0.427 44.672 45.100 -0.002 0.000 0.842 35 G HN 0.119 nan 8.290 nan 0.000 0.584 36 R N 0.496 120.995 120.500 -0.001 0.000 2.540 36 R HA 0.196 4.536 4.340 -0.000 0.000 0.287 36 R C -0.046 176.252 176.300 -0.003 0.000 0.980 36 R CA -0.734 55.365 56.100 -0.001 0.000 0.966 36 R CB 1.136 31.435 30.300 -0.000 0.000 1.106 36 R HN 0.649 nan 8.270 nan 0.000 0.480 37 N N -0.140 118.559 118.700 -0.003 0.000 2.518 37 N HA 0.156 4.896 4.740 -0.000 0.000 0.266 37 N C -0.785 174.723 175.510 -0.003 0.000 1.196 37 N CA 0.005 53.053 53.050 -0.003 0.000 0.947 37 N CB 0.893 39.379 38.487 -0.003 0.000 1.098 37 N HN 0.118 nan 8.380 nan 0.000 0.450 38 V N 2.386 122.298 119.914 -0.004 0.000 2.531 38 V HA 0.253 4.373 4.120 -0.000 0.000 0.301 38 V C -0.318 175.774 176.094 -0.004 0.000 1.034 38 V CA -0.878 61.419 62.300 -0.004 0.000 0.865 38 V CB 1.806 33.626 31.823 -0.005 0.000 0.995 38 V HN 0.324 nan 8.190 nan 0.000 0.424 39 V N 6.545 126.457 119.914 -0.004 0.000 2.389 39 V HA 0.362 4.482 4.120 -0.000 0.000 0.264 39 V C -0.038 176.054 176.094 -0.005 0.000 1.049 39 V CA -0.234 62.064 62.300 -0.004 0.000 0.932 39 V CB 0.723 32.544 31.823 -0.004 0.000 1.011 39 V HN 0.606 nan 8.190 nan 0.000 0.475 40 L N 4.011 125.231 121.223 -0.004 0.000 2.272 40 L HA 0.515 4.855 4.340 -0.000 0.000 0.289 40 L C -0.078 176.790 176.870 -0.004 0.000 1.032 40 L CA -0.518 54.319 54.840 -0.005 0.000 0.810 40 L CB 1.455 43.511 42.059 -0.005 0.000 1.205 40 L HN 0.498 nan 8.230 nan 0.000 0.422 41 D N 3.348 123.744 120.400 -0.008 0.000 2.308 41 D HA 0.205 4.845 4.640 -0.000 0.000 0.251 41 D C -0.576 175.718 176.300 -0.009 0.000 1.127 41 D CA -0.028 53.966 54.000 -0.011 0.000 0.876 41 D CB 0.927 41.715 40.800 -0.019 0.000 1.176 41 D HN 0.319 nan 8.370 nan 0.000 0.446 42 K N 1.523 121.923 120.400 -0.001 0.000 2.206 42 K HA 0.219 4.539 4.320 -0.000 0.000 0.264 42 K C 1.147 177.733 176.600 -0.024 0.000 0.967 42 K CA -0.525 55.770 56.287 0.013 0.000 0.844 42 K CB 1.488 34.019 32.500 0.052 0.000 1.099 42 K HN 0.410 nan 8.250 nan 0.000 0.441 43 S N 1.939 117.588 115.700 -0.084 0.000 2.442 43 S HA -0.077 4.393 4.470 -0.000 0.000 0.236 43 S C 0.365 174.726 174.600 -0.399 0.000 1.007 43 S CA 0.751 58.789 58.200 -0.269 0.000 0.965 43 S CB -0.311 62.655 63.200 -0.389 0.000 0.773 43 S HN 0.377 nan 8.310 nan 0.000 0.504 44 F N 2.110 122.057 119.950 -0.004 0.000 2.427 44 F HA 0.652 5.179 4.527 -0.000 0.000 0.346 44 F C 1.344 177.142 175.800 -0.004 0.000 1.120 44 F CA 0.033 58.031 58.000 -0.004 0.000 1.033 44 F CB 1.214 40.212 39.000 -0.004 0.000 1.126 44 F HN 0.361 nan 8.300 nan 0.000 0.462 45 G N 1.657 110.555 108.800 0.163 0.000 2.509 45 G HA2 0.007 3.967 3.960 -0.000 0.000 0.259 45 G HA3 0.007 3.967 3.960 -0.000 0.000 0.259 45 G C -0.396 174.536 174.900 0.053 0.000 1.169 45 G CA -0.418 44.740 45.100 0.096 0.000 0.953 45 G HN 1.136 nan 8.290 nan 0.000 0.563 46 A N 2.176 125.022 122.820 0.043 0.000 2.327 46 A HA 0.761 5.081 4.320 -0.000 0.000 0.283 46 A C -1.407 176.192 177.584 0.024 0.000 1.127 46 A CA -0.216 51.837 52.037 0.026 0.000 0.810 46 A CB 0.539 19.551 19.000 0.020 0.000 1.066 46 A HN 0.843 nan 8.150 nan 0.000 0.492 47 P HA 0.287 nan 4.420 nan 0.000 0.282 47 P C -0.477 176.827 177.300 0.008 0.000 1.249 47 P CA -0.094 63.012 63.100 0.009 0.000 0.806 47 P CB 0.830 32.531 31.700 0.002 0.000 0.984 48 T N 3.188 117.746 114.554 0.007 0.000 2.884 48 T HA 0.374 4.724 4.350 -0.000 0.000 0.298 48 T C 0.595 175.296 174.700 0.001 0.000 0.998 48 T CA -0.058 62.045 62.100 0.005 0.000 1.124 48 T CB -0.051 68.820 68.868 0.004 0.000 0.931 48 T HN 0.216 nan 8.240 nan 0.000 0.531 49 I N 2.376 122.946 120.570 0.001 0.000 2.354 49 I HA 0.520 4.690 4.170 -0.000 0.000 0.292 49 I C 0.492 176.607 176.117 -0.003 0.000 0.989 49 I CA -0.485 60.814 61.300 -0.001 0.000 1.188 49 I CB 1.744 39.743 38.000 -0.001 0.000 1.342 49 I HN 0.496 nan 8.210 nan 0.000 0.457 50 T N 4.367 118.919 114.554 -0.004 0.000 2.916 50 T HA 0.394 4.744 4.350 -0.000 0.000 0.305 50 T C -0.205 174.492 174.700 -0.007 0.000 1.119 50 T CA -0.646 61.451 62.100 -0.006 0.000 1.008 50 T CB 1.427 70.291 68.868 -0.007 0.000 1.129 50 T HN 0.658 nan 8.240 nan 0.000 0.480 51 K N 2.249 122.644 120.400 -0.008 0.000 2.618 51 K HA 0.229 4.549 4.320 -0.000 0.000 0.207 51 K C -0.801 175.793 176.600 -0.010 0.000 1.058 51 K CA -0.343 55.939 56.287 -0.008 0.000 1.086 51 K CB 0.467 32.963 32.500 -0.007 0.000 0.827 51 K HN 0.450 nan 8.250 nan 0.000 0.481 52 D N -0.740 119.653 120.400 -0.011 0.000 2.256 52 D HA 0.170 4.810 4.640 -0.000 0.000 0.240 52 D C 1.068 177.359 176.300 -0.015 0.000 1.062 52 D CA -0.382 53.609 54.000 -0.014 0.000 0.832 52 D CB 1.603 42.393 40.800 -0.017 0.000 1.135 52 D HN 0.137 nan 8.370 nan 0.000 0.484 53 G N 2.075 110.865 108.800 -0.016 0.000 2.484 53 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.218 53 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.218 53 G C 1.185 176.073 174.900 -0.019 0.000 1.130 53 G CA 0.639 45.730 45.100 -0.015 0.000 0.784 53 G HN 0.447 nan 8.290 nan 0.000 0.543 54 V N 0.818 120.717 119.914 -0.024 0.000 2.374 54 V HA -0.072 4.048 4.120 -0.000 0.000 0.241 54 V C 2.894 178.973 176.094 -0.026 0.000 1.034 54 V CA 1.763 64.045 62.300 -0.029 0.000 1.037 54 V CB -0.605 31.196 31.823 -0.037 0.000 0.682 54 V HN 0.287 nan 8.190 nan 0.000 0.463 55 S N 0.562 116.248 115.700 -0.024 0.000 2.440 55 S HA -0.155 4.315 4.470 -0.000 0.000 0.240 55 S C 1.898 176.488 174.600 -0.017 0.000 1.014 55 S CA 1.477 59.665 58.200 -0.020 0.000 0.980 55 S CB -0.249 62.941 63.200 -0.017 0.000 0.775 55 S HN 0.394 nan 8.310 nan 0.000 0.499 56 V N 1.578 121.482 119.914 -0.016 0.000 2.331 56 V HA -0.018 4.102 4.120 -0.000 0.000 0.242 56 V C 2.643 178.728 176.094 -0.015 0.000 1.034 56 V CA 1.394 63.686 62.300 -0.014 0.000 1.027 56 V CB -1.228 30.588 31.823 -0.011 0.000 0.667 56 V HN 0.512 nan 8.190 nan 0.000 0.457 57 A N -0.127 122.683 122.820 -0.017 0.000 2.076 57 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 57 A C 2.378 179.950 177.584 -0.021 0.000 1.160 57 A CA 1.971 53.997 52.037 -0.018 0.000 0.653 57 A CB -0.617 18.371 19.000 -0.021 0.000 0.801 57 A HN 0.453 nan 8.150 nan 0.000 0.455 58 R N -0.582 119.905 120.500 -0.023 0.000 2.090 58 R HA -0.082 4.258 4.340 -0.000 0.000 0.228 58 R C 1.428 177.715 176.300 -0.022 0.000 1.110 58 R CA 1.242 57.327 56.100 -0.025 0.000 0.973 58 R CB -0.090 30.194 30.300 -0.027 0.000 0.869 58 R HN 0.417 nan 8.270 nan 0.000 0.440 59 E N 0.467 120.656 120.200 -0.018 0.000 2.347 59 E HA -0.030 4.320 4.350 -0.000 0.000 0.196 59 E C 0.453 177.044 176.600 -0.014 0.000 1.008 59 E CA 0.269 56.660 56.400 -0.015 0.000 0.852 59 E CB 0.120 29.812 29.700 -0.013 0.000 0.783 59 E HN 0.295 nan 8.360 nan 0.000 0.505 60 I N 2.090 122.651 120.570 -0.014 0.000 2.517 60 I HA 0.061 4.231 4.170 -0.000 0.000 0.285 60 I C 0.370 176.479 176.117 -0.013 0.000 1.106 60 I CA 0.546 61.839 61.300 -0.012 0.000 1.402 60 I CB 0.067 38.061 38.000 -0.011 0.000 1.399 60 I HN -0.029 nan 8.210 nan 0.000 0.535 61 E N 6.678 126.871 120.200 -0.012 0.000 2.347 61 E HA 0.460 4.810 4.350 -0.000 0.000 0.285 61 E C -1.734 174.860 176.600 -0.010 0.000 0.925 61 E CA -0.621 55.772 56.400 -0.013 0.000 0.779 61 E CB 1.970 31.661 29.700 -0.015 0.000 1.233 61 E HN 0.445 nan 8.360 nan 0.000 0.414 62 L N 3.284 124.503 121.223 -0.008 0.000 2.375 62 L HA 0.368 4.708 4.340 -0.000 0.000 0.268 62 L C 1.527 178.393 176.870 -0.005 0.000 1.058 62 L CA -0.312 54.526 54.840 -0.003 0.000 0.803 62 L CB 1.358 43.421 42.059 0.005 0.000 1.212 62 L HN 0.750 nan 8.230 nan 0.000 0.451 63 E N 0.450 120.650 120.200 -0.000 0.000 2.076 63 E HA -0.147 4.203 4.350 -0.000 0.000 0.190 63 E C 0.335 176.939 176.600 0.006 0.000 0.979 63 E CA 0.338 56.737 56.400 -0.001 0.000 0.807 63 E CB 0.285 29.986 29.700 0.002 0.000 0.761 63 E HN 0.611 nan 8.360 nan 0.000 0.454 64 D N 1.143 121.557 120.400 0.023 0.000 2.382 64 D HA -0.061 4.579 4.640 -0.000 0.000 0.259 64 D C 0.827 177.150 176.300 0.037 0.000 1.224 64 D CA 0.050 54.081 54.000 0.052 0.000 0.894 64 D CB 0.890 41.735 40.800 0.075 0.000 1.127 64 D HN 0.004 nan 8.370 nan 0.000 0.487 65 K N 3.539 123.936 120.400 -0.005 0.000 2.020 65 K HA -0.191 4.129 4.320 -0.000 0.000 0.212 65 K C 1.982 178.486 176.600 -0.159 0.000 1.050 65 K CA 1.298 57.502 56.287 -0.139 0.000 0.929 65 K CB -0.444 31.876 32.500 -0.300 0.000 0.714 65 K HN 0.502 nan 8.250 nan 0.000 0.443 66 F N 1.803 121.741 119.950 -0.021 0.000 2.134 66 F HA -0.140 4.387 4.527 -0.000 0.000 0.299 66 F C 2.403 178.192 175.800 -0.019 0.000 1.097 66 F CA 1.322 59.308 58.000 -0.024 0.000 1.264 66 F CB -0.426 38.558 39.000 -0.027 0.000 1.001 66 F HN 0.177 nan 8.300 nan 0.000 0.479 67 E N -0.271 120.032 120.200 0.172 0.000 2.110 67 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 67 E C 1.807 178.435 176.600 0.045 0.000 0.988 67 E CA 1.190 57.643 56.400 0.089 0.000 0.804 67 E CB -0.349 29.391 29.700 0.067 0.000 0.745 67 E HN 0.307 nan 8.360 nan 0.000 0.458 68 N N 0.818 119.532 118.700 0.023 0.000 2.188 68 N HA -0.133 4.607 4.740 -0.000 0.000 0.184 68 N C 1.697 177.199 175.510 -0.013 0.000 1.018 68 N CA 1.206 54.252 53.050 -0.006 0.000 0.858 68 N CB 0.016 38.486 38.487 -0.028 0.000 0.989 68 N HN 0.075 nan 8.380 nan 0.000 0.426 69 M N -0.487 119.101 119.600 -0.021 0.000 2.086 69 M HA -0.033 4.447 4.480 -0.000 0.000 0.261 69 M C 2.211 178.513 176.300 0.004 0.000 1.067 69 M CA 1.769 57.055 55.300 -0.023 0.000 1.116 69 M CB -0.797 31.780 32.600 -0.038 0.000 1.348 69 M HN 0.296 nan 8.290 nan 0.000 0.407 70 G N 0.094 108.910 108.800 0.027 0.000 2.553 70 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.218 70 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.218 70 G C 1.570 176.479 174.900 0.015 0.000 1.195 70 G CA 1.382 46.498 45.100 0.027 0.000 0.779 70 G HN 0.575 nan 8.290 nan 0.000 0.577 71 A N -0.776 122.050 122.820 0.010 0.000 1.968 71 A HA 0.051 4.371 4.320 -0.000 0.000 0.217 71 A C 2.401 179.983 177.584 -0.004 0.000 1.169 71 A CA 1.751 53.791 52.037 0.004 0.000 0.638 71 A CB -0.202 18.800 19.000 0.003 0.000 0.812 71 A HN 0.336 nan 8.150 nan 0.000 0.446 72 Q N -0.651 119.145 119.800 -0.008 0.000 2.172 72 Q HA -0.014 4.326 4.340 -0.000 0.000 0.200 72 Q C 2.098 178.091 176.000 -0.012 0.000 0.964 72 Q CA 1.086 56.880 55.803 -0.014 0.000 0.855 72 Q CB -0.446 28.281 28.738 -0.019 0.000 0.918 72 Q HN 0.742 nan 8.270 nan 0.000 0.444 73 M N 0.282 119.879 119.600 -0.005 0.000 2.065 73 M HA -0.170 4.310 4.480 -0.000 0.000 0.259 73 M C 2.246 178.547 176.300 0.001 0.000 1.071 73 M CA 1.880 57.180 55.300 0.000 0.000 1.109 73 M CB -0.436 32.169 32.600 0.008 0.000 1.313 73 M HN 0.168 nan 8.290 nan 0.000 0.408 74 V N -2.181 117.735 119.914 0.004 0.000 2.809 74 V HA -0.141 3.979 4.120 -0.000 0.000 0.256 74 V C 2.033 178.121 176.094 -0.010 0.000 1.080 74 V CA 1.536 63.838 62.300 0.004 0.000 1.102 74 V CB -0.973 30.856 31.823 0.010 0.000 0.705 74 V HN 0.443 nan 8.190 nan 0.000 0.475 75 K N 0.708 121.100 120.400 -0.014 0.000 2.025 75 K HA -0.210 4.110 4.320 -0.000 0.000 0.207 75 K C 2.354 178.931 176.600 -0.038 0.000 1.049 75 K CA 1.770 58.042 56.287 -0.024 0.000 0.933 75 K CB -0.209 32.278 32.500 -0.021 0.000 0.714 75 K HN 0.668 nan 8.250 nan 0.000 0.438 76 E N 0.350 120.529 120.200 -0.036 0.000 2.077 76 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 76 E C 1.771 178.322 176.600 -0.081 0.000 0.989 76 E CA 1.297 57.668 56.400 -0.048 0.000 0.800 76 E CB 0.173 29.854 29.700 -0.033 0.000 0.746 76 E HN 0.153 nan 8.360 nan 0.000 0.452 77 V N 1.036 120.908 119.914 -0.070 0.000 2.809 77 V HA -0.110 4.010 4.120 -0.000 0.000 0.256 77 V C 2.303 178.279 176.094 -0.197 0.000 1.080 77 V CA 1.353 63.581 62.300 -0.119 0.000 1.102 77 V CB -0.332 31.494 31.823 0.005 0.000 0.705 77 V HN 0.352 nan 8.190 nan 0.000 0.475 78 A N 0.616 123.371 122.820 -0.110 0.000 2.167 78 A HA -0.060 4.260 4.320 -0.000 0.000 0.214 78 A C 2.322 179.832 177.584 -0.123 0.000 1.151 78 A CA 1.396 53.377 52.037 -0.092 0.000 0.735 78 A CB -0.310 18.665 19.000 -0.042 0.000 0.802 78 A HN 0.647 nan 8.150 nan 0.000 0.467 79 S N -0.775 114.837 115.700 -0.146 0.000 2.517 79 S HA 0.099 4.569 4.470 -0.000 0.000 0.214 79 S C 1.461 175.950 174.600 -0.186 0.000 0.991 79 S CA 0.366 58.486 58.200 -0.132 0.000 0.906 79 S CB -0.047 63.096 63.200 -0.095 0.000 0.789 79 S HN 0.553 nan 8.310 nan 0.000 0.513 80 K N 1.489 121.696 120.400 -0.322 0.000 2.288 80 K HA 0.241 4.561 4.320 -0.000 0.000 0.201 80 K C 2.173 178.522 176.600 -0.418 0.000 1.048 80 K CA 0.860 56.877 56.287 -0.449 0.000 0.956 80 K CB -0.247 31.757 32.500 -0.827 0.000 0.746 80 K HN 0.481 nan 8.250 nan 0.000 0.461 81 A N 1.159 123.769 122.820 -0.348 0.000 2.016 81 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 81 A C 1.760 179.323 177.584 -0.035 0.000 1.162 81 A CA 1.323 53.309 52.037 -0.086 0.000 0.662 81 A CB -0.358 18.642 19.000 0.001 0.000 0.812 81 A HN 0.277 nan 8.150 nan 0.000 0.450 82 N N -0.619 118.035 118.700 -0.077 0.000 2.395 82 N HA -0.070 4.670 4.740 -0.000 0.000 0.175 82 N C 0.941 176.404 175.510 -0.078 0.000 1.029 82 N CA 0.790 53.797 53.050 -0.071 0.000 0.897 82 N CB 0.071 38.510 38.487 -0.081 0.000 0.991 82 N HN 0.294 nan 8.380 nan 0.000 0.441 83 D N 0.163 120.523 120.400 -0.067 0.000 2.097 83 D HA -0.067 4.573 4.640 -0.000 0.000 0.197 83 D C 1.597 177.920 176.300 0.038 0.000 0.984 83 D CA 1.153 55.133 54.000 -0.033 0.000 0.826 83 D CB -0.334 40.439 40.800 -0.045 0.000 0.973 83 D HN 0.337 nan 8.370 nan 0.000 0.460 84 A N -0.263 122.584 122.820 0.044 0.000 2.123 84 A HA 0.381 4.701 4.320 -0.000 0.000 0.214 84 A C 1.888 179.539 177.584 0.111 0.000 1.152 84 A CA 1.488 53.580 52.037 0.091 0.000 0.728 84 A CB 0.137 19.211 19.000 0.123 0.000 0.814 84 A HN 0.230 nan 8.150 nan 0.000 0.464 85 A N -3.123 119.754 122.820 0.095 0.000 1.977 85 A HA 0.485 4.805 4.320 -0.000 0.000 0.197 85 A C 1.743 179.396 177.584 0.114 0.000 1.554 85 A CA 1.077 53.176 52.037 0.104 0.000 1.037 85 A CB -0.112 18.932 19.000 0.073 0.000 1.083 85 A HN 1.709 nan 8.150 nan 0.000 0.471 86 G N -1.117 107.675 108.800 -0.013 0.000 2.238 86 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.217 86 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.217 86 G C -0.270 174.573 174.900 -0.096 0.000 0.996 86 G CA 0.465 45.466 45.100 -0.163 0.000 0.632 86 G HN 0.851 nan 8.290 nan 0.000 0.503 87 D N -1.476 118.904 120.400 -0.033 0.000 2.927 87 D HA 0.608 5.248 4.640 -0.000 0.000 0.219 87 D C 0.645 176.941 176.300 -0.007 0.000 1.248 87 D CA 0.799 54.784 54.000 -0.024 0.000 0.861 87 D CB 0.991 41.785 40.800 -0.011 0.000 1.677 87 D HN 1.095 nan 8.370 nan 0.000 0.511 88 G N 1.249 110.043 108.800 -0.010 0.000 3.987 88 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.220 88 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.220 88 G C 1.023 175.923 174.900 -0.001 0.000 0.871 88 G CA 0.453 45.556 45.100 0.005 0.000 0.881 88 G HN 0.493 nan 8.290 nan 0.000 0.674 89 T N 1.612 116.154 114.554 -0.020 0.000 2.746 89 T HA -0.076 4.274 4.350 -0.000 0.000 0.267 89 T C 2.598 177.291 174.700 -0.013 0.000 1.039 89 T CA 2.263 64.347 62.100 -0.025 0.000 1.142 89 T CB -0.467 68.378 68.868 -0.038 0.000 0.866 89 T HN 0.355 nan 8.240 nan 0.000 0.444 90 T N 2.102 116.649 114.554 -0.011 0.000 2.652 90 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 90 T C 2.279 176.980 174.700 0.002 0.000 1.039 90 T CA 1.826 63.922 62.100 -0.006 0.000 1.153 90 T CB -0.862 68.001 68.868 -0.007 0.000 0.863 90 T HN 0.407 nan 8.240 nan 0.000 0.428 91 T N 1.834 116.391 114.554 0.006 0.000 2.857 91 T HA 0.151 4.501 4.350 -0.000 0.000 0.266 91 T C 2.477 177.190 174.700 0.021 0.000 1.048 91 T CA 0.885 62.993 62.100 0.014 0.000 1.139 91 T CB -0.560 68.318 68.868 0.017 0.000 0.874 91 T HN 0.432 nan 8.240 nan 0.000 0.455 92 A N 2.025 124.861 122.820 0.026 0.000 1.865 92 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 92 A C 2.563 180.165 177.584 0.029 0.000 1.191 92 A CA 2.278 54.339 52.037 0.039 0.000 0.623 92 A CB -1.474 17.553 19.000 0.045 0.000 0.826 92 A HN 0.497 nan 8.150 nan 0.000 0.444 93 T N 0.342 114.905 114.554 0.016 0.000 2.699 93 T HA -0.195 4.155 4.350 -0.000 0.000 0.268 93 T C 1.931 176.639 174.700 0.013 0.000 1.036 93 T CA 2.220 64.327 62.100 0.012 0.000 1.147 93 T CB -1.163 67.706 68.868 0.002 0.000 0.862 93 T HN 0.799 nan 8.240 nan 0.000 0.446 94 V N 0.304 120.225 119.914 0.012 0.000 2.490 94 V HA -0.049 4.071 4.120 -0.000 0.000 0.250 94 V C 2.248 178.351 176.094 0.015 0.000 1.061 94 V CA 1.352 63.659 62.300 0.012 0.000 1.064 94 V CB -1.168 30.661 31.823 0.010 0.000 0.670 94 V HN 0.431 nan 8.190 nan 0.000 0.461 95 L N 0.772 122.007 121.223 0.020 0.000 2.044 95 L HA 0.063 4.403 4.340 -0.000 0.000 0.205 95 L C 2.994 179.879 176.870 0.024 0.000 1.075 95 L CA 1.640 56.494 54.840 0.023 0.000 0.747 95 L CB -0.819 41.257 42.059 0.029 0.000 0.903 95 L HN 0.393 nan 8.230 nan 0.000 0.435 96 A N -0.990 121.847 122.820 0.028 0.000 2.066 96 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 96 A C 2.239 179.836 177.584 0.021 0.000 1.157 96 A CA 1.257 53.311 52.037 0.028 0.000 0.670 96 A CB -0.389 18.630 19.000 0.033 0.000 0.804 96 A HN 0.484 nan 8.150 nan 0.000 0.453 97 Q N -0.319 119.491 119.800 0.017 0.000 1.990 97 Q HA -0.110 4.230 4.340 -0.000 0.000 0.200 97 Q C 2.286 178.294 176.000 0.013 0.000 0.980 97 Q CA 1.451 57.263 55.803 0.014 0.000 0.832 97 Q CB -0.350 28.395 28.738 0.011 0.000 0.897 97 Q HN 0.564 nan 8.270 nan 0.000 0.427 98 A N 0.912 123.740 122.820 0.013 0.000 1.917 98 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 98 A C 1.985 179.577 177.584 0.012 0.000 1.182 98 A CA 1.712 53.756 52.037 0.012 0.000 0.633 98 A CB -0.790 18.217 19.000 0.012 0.000 0.819 98 A HN 0.502 nan 8.150 nan 0.000 0.448 99 I N -0.720 119.859 120.570 0.015 0.000 2.193 99 I HA -0.216 3.954 4.170 -0.000 0.000 0.240 99 I C 2.320 178.445 176.117 0.014 0.000 1.084 99 I CA 1.303 62.612 61.300 0.015 0.000 1.365 99 I CB -0.343 37.668 38.000 0.018 0.000 1.064 99 I HN 0.281 nan 8.210 nan 0.000 0.410 100 I N 0.342 120.921 120.570 0.016 0.000 2.179 100 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 100 I C 2.570 178.695 176.117 0.013 0.000 1.088 100 I CA 1.542 62.852 61.300 0.016 0.000 1.357 100 I CB -0.677 37.333 38.000 0.017 0.000 1.051 100 I HN 0.246 nan 8.210 nan 0.000 0.409 101 T N 0.355 114.916 114.554 0.012 0.000 2.622 101 T HA -0.184 4.166 4.350 -0.000 0.000 0.266 101 T C 1.800 176.505 174.700 0.009 0.000 1.047 101 T CA 1.452 63.558 62.100 0.010 0.000 1.159 101 T CB -0.233 68.640 68.868 0.009 0.000 0.863 101 T HN 0.311 nan 8.240 nan 0.000 0.422 102 E N 0.599 120.804 120.200 0.009 0.000 2.208 102 E HA 0.017 4.367 4.350 -0.000 0.000 0.193 102 E C 2.490 179.095 176.600 0.009 0.000 0.988 102 E CA 0.784 57.189 56.400 0.008 0.000 0.828 102 E CB -0.694 29.011 29.700 0.008 0.000 0.763 102 E HN 0.580 nan 8.360 nan 0.000 0.478 103 G N 1.657 110.463 108.800 0.010 0.000 2.433 103 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 103 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 103 G C 1.730 176.636 174.900 0.010 0.000 1.186 103 G CA 0.464 45.571 45.100 0.011 0.000 0.779 103 G HN 0.171 nan 8.290 nan 0.000 0.543 104 L N 0.071 121.301 121.223 0.011 0.000 2.079 104 L HA -0.094 4.246 4.340 -0.000 0.000 0.210 104 L C 2.941 179.816 176.870 0.008 0.000 1.081 104 L CA 1.240 56.086 54.840 0.010 0.000 0.752 104 L CB -0.350 41.715 42.059 0.010 0.000 0.896 104 L HN 0.204 nan 8.230 nan 0.000 0.433 105 K N -0.074 120.330 120.400 0.007 0.000 2.160 105 K HA -0.207 4.113 4.320 -0.000 0.000 0.206 105 K C 2.140 178.743 176.600 0.006 0.000 1.047 105 K CA 1.517 57.807 56.287 0.006 0.000 0.930 105 K CB -0.170 32.333 32.500 0.006 0.000 0.720 105 K HN 0.353 nan 8.250 nan 0.000 0.450 106 A N 0.556 123.380 122.820 0.007 0.000 1.878 106 A HA -0.043 4.277 4.320 -0.000 0.000 0.213 106 A C 2.307 179.895 177.584 0.007 0.000 1.192 106 A CA 0.742 52.783 52.037 0.007 0.000 0.619 106 A CB -0.420 18.584 19.000 0.007 0.000 0.837 106 A HN 0.036 nan 8.150 nan 0.000 0.446 107 V N 0.472 120.391 119.914 0.009 0.000 2.282 107 V HA -0.315 3.805 4.120 -0.000 0.000 0.249 107 V C 3.047 179.146 176.094 0.009 0.000 1.057 107 V CA 2.141 64.447 62.300 0.010 0.000 1.032 107 V CB -1.441 30.389 31.823 0.012 0.000 0.645 107 V HN 0.585 nan 8.190 nan 0.000 0.447 108 A N -0.054 122.771 122.820 0.008 0.000 1.978 108 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 108 A C 2.415 180.002 177.584 0.005 0.000 1.170 108 A CA 2.158 54.199 52.037 0.006 0.000 0.636 108 A CB -0.747 18.256 19.000 0.005 0.000 0.810 108 A HN 0.622 nan 8.150 nan 0.000 0.448 109 A N -1.972 120.851 122.820 0.005 0.000 1.902 109 A HA 0.299 4.619 4.320 -0.000 0.000 0.217 109 A C 2.027 179.613 177.584 0.004 0.000 1.181 109 A CA 2.090 54.130 52.037 0.004 0.000 0.623 109 A CB -0.687 18.315 19.000 0.004 0.000 0.818 109 A HN 1.797 nan 8.150 nan 0.000 0.443 110 G N -3.252 105.551 108.800 0.005 0.000 2.370 110 G HA2 -0.089 3.870 3.960 -0.000 0.000 0.174 110 G HA3 -0.089 3.870 3.960 -0.000 0.000 0.174 110 G C 0.181 175.084 174.900 0.005 0.000 1.002 110 G CA 0.014 45.117 45.100 0.005 0.000 0.730 110 G HN 0.276 nan 8.290 nan 0.000 0.497 111 M N 1.472 121.075 119.600 0.006 0.000 2.243 111 M HA 0.221 4.701 4.480 -0.000 0.000 0.341 111 M C 0.541 176.845 176.300 0.008 0.000 1.130 111 M CA -0.287 55.017 55.300 0.006 0.000 1.162 111 M CB 0.433 33.037 32.600 0.006 0.000 1.497 111 M HN 0.184 nan 8.290 nan 0.000 0.456 112 N N 3.812 122.517 118.700 0.008 0.000 2.431 112 N HA 0.080 4.820 4.740 -0.000 0.000 0.265 112 N C -2.092 173.424 175.510 0.010 0.000 1.184 112 N CA -1.169 51.886 53.050 0.009 0.000 0.943 112 N CB 1.089 39.580 38.487 0.008 0.000 1.080 112 N HN 0.300 nan 8.380 nan 0.000 0.477 113 P HA -0.069 nan 4.420 nan 0.000 0.220 113 P C 1.580 178.887 177.300 0.012 0.000 1.148 113 P CA 1.021 64.128 63.100 0.013 0.000 0.803 113 P CB 0.271 31.980 31.700 0.016 0.000 0.782 114 M N -0.729 118.878 119.600 0.011 0.000 2.132 114 M HA -0.098 4.382 4.480 -0.000 0.000 0.263 114 M C 1.456 177.761 176.300 0.008 0.000 1.065 114 M CA 1.578 56.884 55.300 0.010 0.000 1.122 114 M CB -1.461 31.145 32.600 0.010 0.000 1.365 114 M HN -0.009 nan 8.290 nan 0.000 0.411 115 D N 0.548 120.952 120.400 0.007 0.000 2.117 115 D HA -0.061 4.579 4.640 -0.000 0.000 0.198 115 D C 2.289 178.593 176.300 0.006 0.000 0.982 115 D CA 1.071 55.075 54.000 0.006 0.000 0.828 115 D CB -0.157 40.646 40.800 0.006 0.000 0.967 115 D HN 0.292 nan 8.370 nan 0.000 0.464 116 L N 1.035 122.263 121.223 0.007 0.000 2.012 116 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 116 L C 2.562 179.436 176.870 0.007 0.000 1.073 116 L CA 1.293 56.137 54.840 0.007 0.000 0.748 116 L CB -0.427 41.638 42.059 0.008 0.000 0.891 116 L HN -0.030 nan 8.230 nan 0.000 0.431 117 K N 0.283 120.687 120.400 0.008 0.000 2.044 117 K HA -0.265 4.055 4.320 -0.000 0.000 0.210 117 K C 2.355 178.958 176.600 0.005 0.000 1.049 117 K CA 1.689 57.981 56.287 0.008 0.000 0.927 117 K CB -0.087 32.419 32.500 0.009 0.000 0.713 117 K HN 0.086 nan 8.250 nan 0.000 0.443 118 R N -0.364 120.139 120.500 0.004 0.000 2.081 118 R HA -0.091 4.249 4.340 -0.000 0.000 0.235 118 R C 2.393 178.694 176.300 0.002 0.000 1.131 118 R CA 1.628 57.730 56.100 0.002 0.000 0.960 118 R CB -0.555 29.746 30.300 0.002 0.000 0.856 118 R HN 0.463 nan 8.270 nan 0.000 0.436 119 G N 0.725 109.527 108.800 0.003 0.000 2.446 119 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 119 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 119 G C 1.387 176.289 174.900 0.003 0.000 1.168 119 G CA 1.049 46.151 45.100 0.003 0.000 0.771 119 G HN 0.253 nan 8.290 nan 0.000 0.551 120 I N 1.022 121.594 120.570 0.004 0.000 2.226 120 I HA -0.122 4.048 4.170 -0.000 0.000 0.245 120 I C 2.318 178.435 176.117 0.000 0.000 1.100 120 I CA 1.189 62.491 61.300 0.004 0.000 1.374 120 I CB -0.243 37.761 38.000 0.006 0.000 1.057 120 I HN 0.025 nan 8.210 nan 0.000 0.413 121 D N 1.072 121.471 120.400 -0.002 0.000 2.104 121 D HA -0.233 4.407 4.640 -0.000 0.000 0.194 121 D C 2.082 178.378 176.300 -0.007 0.000 0.994 121 D CA 1.352 55.347 54.000 -0.007 0.000 0.830 121 D CB -0.294 40.502 40.800 -0.007 0.000 0.959 121 D HN 0.286 nan 8.370 nan 0.000 0.452 122 K N 0.392 120.790 120.400 -0.004 0.000 2.288 122 K HA 0.027 4.347 4.320 -0.000 0.000 0.201 122 K C 1.704 178.303 176.600 -0.002 0.000 1.048 122 K CA 0.721 57.006 56.287 -0.003 0.000 0.956 122 K CB 0.113 32.612 32.500 -0.002 0.000 0.746 122 K HN 0.010 nan 8.250 nan 0.000 0.461 123 A N 0.230 123.050 122.820 -0.000 0.000 2.123 123 A HA 0.021 4.341 4.320 -0.000 0.000 0.214 123 A C 1.808 179.392 177.584 0.001 0.000 1.152 123 A CA 0.568 52.605 52.037 0.002 0.000 0.728 123 A CB 0.182 19.184 19.000 0.004 0.000 0.814 123 A HN 0.144 nan 8.150 nan 0.000 0.464 124 V N -1.085 118.827 119.914 -0.004 0.000 2.949 124 V HA -0.081 4.039 4.120 -0.000 0.000 0.245 124 V C 2.498 178.585 176.094 -0.012 0.000 1.086 124 V CA 1.991 64.287 62.300 -0.007 0.000 1.097 124 V CB -0.396 31.418 31.823 -0.014 0.000 0.762 124 V HN 0.533 nan 8.190 nan 0.000 0.470 125 T N 0.917 115.464 114.554 -0.012 0.000 2.821 125 T HA -0.080 4.270 4.350 -0.000 0.000 0.267 125 T C 1.939 176.635 174.700 -0.007 0.000 1.046 125 T CA 1.536 63.628 62.100 -0.013 0.000 1.139 125 T CB -0.265 68.596 68.868 -0.012 0.000 0.871 125 T HN 0.500 nan 8.240 nan 0.000 0.454 126 A N 0.725 123.543 122.820 -0.003 0.000 2.167 126 A HA 0.499 4.819 4.320 -0.000 0.000 0.214 126 A C 2.374 179.960 177.584 0.003 0.000 1.151 126 A CA 1.153 53.191 52.037 0.000 0.000 0.735 126 A CB -0.523 18.478 19.000 0.002 0.000 0.802 126 A HN 0.478 nan 8.150 nan 0.000 0.467 127 A N -0.762 122.059 122.820 0.002 0.000 1.997 127 A HA 0.235 4.555 4.320 -0.000 0.000 0.212 127 A C 2.046 179.633 177.584 0.004 0.000 1.178 127 A CA 1.074 53.114 52.037 0.005 0.000 0.698 127 A CB -0.505 18.498 19.000 0.006 0.000 0.842 127 A HN 0.244 nan 8.150 nan 0.000 0.458 128 V N 0.339 120.252 119.914 -0.001 0.000 2.255 128 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 128 V C 2.583 178.678 176.094 0.002 0.000 1.051 128 V CA 2.460 64.758 62.300 -0.002 0.000 1.018 128 V CB -0.779 31.038 31.823 -0.011 0.000 0.641 128 V HN 0.507 nan 8.190 nan 0.000 0.445 129 E N 0.207 120.407 120.200 0.001 0.000 2.049 129 E HA -0.252 4.098 4.350 -0.000 0.000 0.198 129 E C 2.166 178.770 176.600 0.007 0.000 1.007 129 E CA 1.628 58.030 56.400 0.004 0.000 0.809 129 E CB -0.396 29.305 29.700 0.003 0.000 0.749 129 E HN 0.627 nan 8.360 nan 0.000 0.450 130 E N -0.653 119.552 120.200 0.008 0.000 2.401 130 E HA -0.105 4.245 4.350 -0.000 0.000 0.199 130 E C 1.507 178.115 176.600 0.014 0.000 1.023 130 E CA 0.274 56.681 56.400 0.012 0.000 0.859 130 E CB -0.072 29.635 29.700 0.013 0.000 0.780 130 E HN 0.137 nan 8.360 nan 0.000 0.523 131 L N -0.157 121.073 121.223 0.012 0.000 2.354 131 L HA 0.109 4.449 4.340 -0.000 0.000 0.212 131 L C 1.534 178.412 176.870 0.014 0.000 1.091 131 L CA 1.109 55.958 54.840 0.014 0.000 0.828 131 L CB 0.092 42.159 42.059 0.013 0.000 0.973 131 L HN -0.070 nan 8.230 nan 0.000 0.461 132 K N -0.649 119.757 120.400 0.011 0.000 2.155 132 K HA 0.046 4.366 4.320 -0.000 0.000 0.203 132 K C 1.941 178.548 176.600 0.012 0.000 1.052 132 K CA 1.053 57.346 56.287 0.011 0.000 0.948 132 K CB -0.204 32.301 32.500 0.008 0.000 0.728 132 K HN 0.325 nan 8.250 nan 0.000 0.448 133 A N 0.918 123.745 122.820 0.012 0.000 2.119 133 A HA 0.000 4.320 4.320 -0.000 0.000 0.216 133 A C 1.850 179.444 177.584 0.016 0.000 1.152 133 A CA 0.760 52.804 52.037 0.013 0.000 0.708 133 A CB -0.182 18.826 19.000 0.012 0.000 0.805 133 A HN 0.222 nan 8.150 nan 0.000 0.460 134 L N -0.699 120.535 121.223 0.018 0.000 2.585 134 L HA 0.141 4.481 4.340 -0.000 0.000 0.226 134 L C 1.087 177.970 176.870 0.021 0.000 1.113 134 L CA 0.141 54.994 54.840 0.022 0.000 0.876 134 L CB 0.238 42.312 42.059 0.026 0.000 1.072 134 L HN 0.361 nan 8.230 nan 0.000 0.468 135 S N 0.418 116.129 115.700 0.018 0.000 2.465 135 S HA 0.170 4.640 4.470 -0.000 0.000 0.280 135 S C -0.151 174.458 174.600 0.015 0.000 1.232 135 S CA -0.497 57.713 58.200 0.016 0.000 1.066 135 S CB 0.568 63.776 63.200 0.014 0.000 0.929 135 S HN 0.031 nan 8.310 nan 0.000 0.494 136 V N 8.983 128.906 119.914 0.015 0.000 2.408 136 V HA 0.322 4.442 4.120 -0.000 0.000 0.267 136 V C -1.920 174.181 176.094 0.011 0.000 1.047 136 V CA -1.765 60.543 62.300 0.014 0.000 0.937 136 V CB 0.641 32.473 31.823 0.015 0.000 0.999 136 V HN 0.759 nan 8.190 nan 0.000 0.472 137 P HA 0.099 nan 4.420 nan 0.000 0.269 137 P C -0.490 176.814 177.300 0.007 0.000 1.215 137 P CA -0.220 62.885 63.100 0.008 0.000 0.780 137 P CB 0.449 32.154 31.700 0.007 0.000 0.898 138 C N 2.540 121.844 119.300 0.006 0.000 2.978 138 C HA 0.447 4.907 4.460 -0.000 0.000 0.274 138 C C 1.224 176.216 174.990 0.003 0.000 1.087 138 C CA 0.163 59.184 59.018 0.005 0.000 1.453 138 C CB -1.297 26.446 27.740 0.006 0.000 1.838 138 C HN 0.553 nan 8.230 nan 0.000 0.470 139 S N 1.532 117.234 115.700 0.003 0.000 2.811 139 S HA 0.110 4.580 4.470 -0.000 0.000 0.237 139 S C 0.416 175.016 174.600 0.000 0.000 1.038 139 S CA 0.211 58.412 58.200 0.001 0.000 0.881 139 S CB -0.033 63.169 63.200 0.002 0.000 0.815 139 S HN 0.944 nan 8.310 nan 0.000 0.582 140 D N 1.866 122.267 120.400 0.001 0.000 2.368 140 D HA 0.077 4.717 4.640 -0.000 0.000 0.240 140 D C 0.911 177.211 176.300 -0.000 0.000 1.169 140 D CA 0.263 54.263 54.000 0.000 0.000 0.906 140 D CB 0.704 41.505 40.800 0.001 0.000 1.187 140 D HN 0.239 nan 8.370 nan 0.000 0.435 141 S N 0.316 116.015 115.700 -0.001 0.000 2.481 141 S HA -0.177 4.293 4.470 -0.000 0.000 0.231 141 S C 1.561 176.160 174.600 -0.001 0.000 0.996 141 S CA 0.665 58.864 58.200 -0.002 0.000 0.942 141 S CB -0.253 62.946 63.200 -0.002 0.000 0.768 141 S HN 0.637 nan 8.310 nan 0.000 0.520 142 K N 1.753 122.153 120.400 -0.000 0.000 2.062 142 K HA 0.087 4.407 4.320 -0.000 0.000 0.205 142 K C 2.233 178.834 176.600 0.001 0.000 1.051 142 K CA 1.065 57.352 56.287 0.000 0.000 0.941 142 K CB -0.501 32.000 32.500 0.001 0.000 0.719 142 K HN 0.409 nan 8.250 nan 0.000 0.440 143 A N 0.962 123.783 122.820 0.001 0.000 2.014 143 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 143 A C 1.967 179.552 177.584 0.001 0.000 1.163 143 A CA 0.821 52.859 52.037 0.002 0.000 0.652 143 A CB -0.360 18.642 19.000 0.003 0.000 0.808 143 A HN 0.319 nan 8.150 nan 0.000 0.449 144 I N -0.376 120.195 120.570 0.001 0.000 2.394 144 I HA -0.215 3.955 4.170 -0.000 0.000 0.251 144 I C 2.839 178.956 176.117 -0.000 0.000 1.136 144 I CA 0.912 62.212 61.300 -0.000 0.000 1.425 144 I CB -0.163 37.836 38.000 -0.002 0.000 1.079 144 I HN 0.347 nan 8.210 nan 0.000 0.425 145 A N 0.106 122.926 122.820 -0.001 0.000 1.929 145 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 145 A C 2.237 179.821 177.584 -0.000 0.000 1.176 145 A CA 1.172 53.209 52.037 -0.001 0.000 0.628 145 A CB -0.415 18.584 19.000 -0.001 0.000 0.816 145 A HN 0.426 nan 8.150 nan 0.000 0.444 146 Q N -0.620 119.180 119.800 0.000 0.000 2.172 146 Q HA -0.057 4.283 4.340 -0.000 0.000 0.200 146 Q C 2.024 178.025 176.000 0.000 0.000 0.964 146 Q CA 1.364 57.167 55.803 -0.000 0.000 0.855 146 Q CB -0.161 28.578 28.738 0.000 0.000 0.918 146 Q HN 0.493 nan 8.270 nan 0.000 0.444 147 V N 0.021 119.936 119.914 0.002 0.000 2.346 147 V HA -0.103 4.017 4.120 -0.000 0.000 0.244 147 V C 2.218 178.314 176.094 0.004 0.000 1.037 147 V CA 1.828 64.130 62.300 0.003 0.000 1.029 147 V CB -0.912 30.914 31.823 0.005 0.000 0.663 147 V HN 0.490 nan 8.190 nan 0.000 0.454 148 G N -0.288 108.514 108.800 0.003 0.000 2.475 148 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.220 148 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.220 148 G C 1.657 176.559 174.900 0.003 0.000 1.125 148 G CA 1.793 46.896 45.100 0.004 0.000 0.755 148 G HN 0.487 nan 8.290 nan 0.000 0.565 149 T N 1.054 115.608 114.554 0.001 0.000 2.770 149 T HA 0.040 4.390 4.350 -0.000 0.000 0.258 149 T C 2.429 177.127 174.700 -0.003 0.000 1.039 149 T CA 0.846 62.945 62.100 -0.001 0.000 1.143 149 T CB -0.129 68.737 68.868 -0.003 0.000 0.866 149 T HN 0.250 nan 8.240 nan 0.000 0.428 150 I N 1.393 121.961 120.570 -0.003 0.000 2.226 150 I HA -0.167 4.003 4.170 -0.000 0.000 0.245 150 I C 2.614 178.729 176.117 -0.004 0.000 1.100 150 I CA 0.963 62.259 61.300 -0.006 0.000 1.374 150 I CB -0.408 37.589 38.000 -0.007 0.000 1.057 150 I HN 0.157 nan 8.210 nan 0.000 0.413 151 S N 0.479 116.180 115.700 0.001 0.000 2.419 151 S HA -0.062 4.408 4.470 -0.000 0.000 0.233 151 S C 1.747 176.349 174.600 0.004 0.000 1.016 151 S CA 1.248 59.451 58.200 0.005 0.000 0.974 151 S CB -0.185 63.022 63.200 0.012 0.000 0.786 151 S HN 0.552 nan 8.310 nan 0.000 0.492 152 A N 0.890 123.711 122.820 0.002 0.000 2.460 152 A HA 0.435 4.755 4.320 -0.000 0.000 0.258 152 A C 0.488 178.070 177.584 -0.003 0.000 1.300 152 A CA -0.357 51.681 52.037 0.001 0.000 0.913 152 A CB -0.365 18.637 19.000 0.002 0.000 1.031 152 A HN 0.381 nan 8.150 nan 0.000 0.512 153 N N -0.288 118.409 118.700 -0.005 0.000 2.663 153 N HA -0.201 4.539 4.740 -0.000 0.000 0.263 153 N C 0.335 175.840 175.510 -0.008 0.000 1.109 153 N CA 0.990 54.035 53.050 -0.008 0.000 0.701 153 N CB -1.781 36.701 38.487 -0.008 0.000 0.879 153 N HN 0.446 nan 8.380 nan 0.000 0.550 154 S N -1.194 114.500 115.700 -0.009 0.000 3.146 154 S HA -0.267 4.203 4.470 -0.000 0.000 0.285 154 S C -0.180 174.416 174.600 -0.006 0.000 1.293 154 S CA 1.186 59.381 58.200 -0.009 0.000 1.137 154 S CB -0.894 62.300 63.200 -0.011 0.000 1.357 154 S HN 0.831 nan 8.310 nan 0.000 0.678 155 D N 1.288 121.685 120.400 -0.005 0.000 2.393 155 D HA 0.319 4.959 4.640 -0.000 0.000 0.232 155 D C 1.001 177.299 176.300 -0.003 0.000 1.192 155 D CA -0.171 53.826 54.000 -0.004 0.000 0.882 155 D CB 0.542 41.340 40.800 -0.003 0.000 1.038 155 D HN 0.376 nan 8.370 nan 0.000 0.499 156 E N 1.211 121.409 120.200 -0.003 0.000 2.268 156 E HA -0.112 4.238 4.350 -0.000 0.000 0.195 156 E C 1.321 177.920 176.600 -0.002 0.000 0.995 156 E CA 0.889 57.287 56.400 -0.003 0.000 0.836 156 E CB 0.277 29.976 29.700 -0.003 0.000 0.763 156 E HN 0.533 nan 8.360 nan 0.000 0.491 157 T N 0.481 115.033 114.554 -0.002 0.000 2.788 157 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 157 T C 2.129 176.828 174.700 -0.001 0.000 1.044 157 T CA 0.983 63.081 62.100 -0.002 0.000 1.139 157 T CB -0.173 68.694 68.868 -0.002 0.000 0.867 157 T HN 0.000 nan 8.240 nan 0.000 0.454 158 V N 1.626 121.540 119.914 -0.001 0.000 2.323 158 V HA -0.002 4.118 4.120 -0.000 0.000 0.244 158 V C 2.988 179.082 176.094 0.000 0.000 1.041 158 V CA 1.774 64.074 62.300 0.000 0.000 1.025 158 V CB -1.499 30.325 31.823 0.002 0.000 0.656 158 V HN 0.574 nan 8.190 nan 0.000 0.451 159 G N -0.290 108.510 108.800 -0.000 0.000 2.469 159 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.220 159 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.220 159 G C 1.658 176.558 174.900 -0.001 0.000 1.136 159 G CA 1.301 46.401 45.100 -0.000 0.000 0.759 159 G HN 0.493 nan 8.290 nan 0.000 0.562 160 K N -0.316 120.083 120.400 -0.001 0.000 2.186 160 K HA 0.209 4.529 4.320 -0.000 0.000 0.202 160 K C 2.463 179.062 176.600 -0.002 0.000 1.052 160 K CA 0.172 56.458 56.287 -0.002 0.000 0.965 160 K CB -0.130 32.369 32.500 -0.002 0.000 0.746 160 K HN 0.338 nan 8.250 nan 0.000 0.457 161 L N 0.887 122.109 121.223 -0.002 0.000 2.027 161 L HA -0.149 4.191 4.340 -0.000 0.000 0.206 161 L C 2.250 179.118 176.870 -0.004 0.000 1.074 161 L CA 1.028 55.867 54.840 -0.003 0.000 0.745 161 L CB -0.229 41.829 42.059 -0.002 0.000 0.898 161 L HN 0.164 nan 8.230 nan 0.000 0.433 162 I N -0.293 120.276 120.570 -0.003 0.000 2.142 162 I HA -0.295 3.875 4.170 -0.000 0.000 0.240 162 I C 2.769 178.882 176.117 -0.006 0.000 1.078 162 I CA 1.229 62.526 61.300 -0.005 0.000 1.343 162 I CB -0.593 37.405 38.000 -0.003 0.000 1.046 162 I HN 0.186 nan 8.210 nan 0.000 0.405 163 A N 0.300 123.118 122.820 -0.004 0.000 1.997 163 A HA -0.262 4.058 4.320 -0.000 0.000 0.221 163 A C 2.201 179.782 177.584 -0.005 0.000 1.172 163 A CA 2.044 54.078 52.037 -0.004 0.000 0.645 163 A CB -0.605 18.393 19.000 -0.003 0.000 0.813 163 A HN 0.543 nan 8.150 nan 0.000 0.454 164 E N -0.862 119.335 120.200 -0.005 0.000 2.140 164 E HA 0.098 4.448 4.350 -0.000 0.000 0.191 164 E C 2.336 178.932 176.600 -0.007 0.000 0.973 164 E CA 0.586 56.983 56.400 -0.005 0.000 0.829 164 E CB -0.195 29.502 29.700 -0.005 0.000 0.781 164 E HN 0.601 nan 8.360 nan 0.000 0.466 165 A N 1.197 124.012 122.820 -0.008 0.000 1.930 165 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 165 A C 2.135 179.712 177.584 -0.011 0.000 1.175 165 A CA 1.214 53.245 52.037 -0.010 0.000 0.627 165 A CB -0.365 18.628 19.000 -0.010 0.000 0.815 165 A HN 0.123 nan 8.150 nan 0.000 0.443 166 M N -1.248 118.345 119.600 -0.011 0.000 2.254 166 M HA -0.097 4.383 4.480 -0.000 0.000 0.265 166 M C 1.721 178.015 176.300 -0.010 0.000 1.066 166 M CA 1.627 56.920 55.300 -0.012 0.000 1.123 166 M CB -0.403 32.190 32.600 -0.013 0.000 1.388 166 M HN 0.413 nan 8.290 nan 0.000 0.425 167 D N 0.532 120.928 120.400 -0.008 0.000 2.263 167 D HA -0.125 4.515 4.640 -0.000 0.000 0.208 167 D C 1.975 178.271 176.300 -0.007 0.000 0.971 167 D CA 1.020 55.017 54.000 -0.007 0.000 0.867 167 D CB 0.330 41.127 40.800 -0.005 0.000 0.929 167 D HN 0.020 nan 8.370 nan 0.000 0.492 168 K N -0.330 120.065 120.400 -0.008 0.000 2.029 168 K HA 0.028 4.348 4.320 -0.000 0.000 0.205 168 K C 1.912 178.507 176.600 -0.008 0.000 1.042 168 K CA 1.120 57.402 56.287 -0.007 0.000 0.949 168 K CB -0.495 32.000 32.500 -0.008 0.000 0.740 168 K HN 0.222 nan 8.250 nan 0.000 0.442 169 V N -2.220 117.688 119.914 -0.010 0.000 3.542 169 V HA 0.391 4.511 4.120 -0.000 0.000 0.296 169 V C 0.705 176.792 176.094 -0.011 0.000 1.364 169 V CA 0.139 62.433 62.300 -0.010 0.000 1.118 169 V CB -0.553 31.263 31.823 -0.012 0.000 0.972 169 V HN 0.403 nan 8.190 nan 0.000 0.430 170 G N 1.233 110.027 108.800 -0.011 0.000 2.757 170 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.638 170 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.638 170 G C 0.150 175.042 174.900 -0.013 0.000 1.344 170 G CA 0.081 45.175 45.100 -0.011 0.000 0.855 170 G HN 0.318 nan 8.290 nan 0.000 0.537 171 K N 0.083 120.476 120.400 -0.012 0.000 2.148 171 K HA -0.033 4.287 4.320 -0.000 0.000 0.204 171 K C 1.761 178.350 176.600 -0.018 0.000 1.050 171 K CA 1.691 57.969 56.287 -0.014 0.000 0.942 171 K CB -0.016 32.478 32.500 -0.010 0.000 0.724 171 K HN 0.489 nan 8.250 nan 0.000 0.446 172 E N 0.290 120.480 120.200 -0.016 0.000 2.474 172 E HA 0.053 4.403 4.350 -0.000 0.000 0.195 172 E C 0.656 177.244 176.600 -0.020 0.000 1.039 172 E CA 0.024 56.414 56.400 -0.018 0.000 0.881 172 E CB 0.591 30.284 29.700 -0.012 0.000 0.970 172 E HN 0.207 nan 8.360 nan 0.000 0.486 173 G N 1.288 110.076 108.800 -0.020 0.000 2.403 173 G HA2 0.255 4.215 3.960 -0.000 0.000 0.259 173 G HA3 0.255 4.215 3.960 -0.000 0.000 0.259 173 G C 0.230 175.115 174.900 -0.026 0.000 1.244 173 G CA -0.453 44.636 45.100 -0.019 0.000 0.849 173 G HN -0.061 nan 8.290 nan 0.000 0.532 174 V N 3.333 123.233 119.914 -0.024 0.000 2.446 174 V HA 0.139 4.259 4.120 -0.000 0.000 0.276 174 V C 0.376 176.453 176.094 -0.029 0.000 1.030 174 V CA 0.433 62.714 62.300 -0.030 0.000 1.033 174 V CB 0.012 31.820 31.823 -0.024 0.000 0.993 174 V HN 0.477 nan 8.190 nan 0.000 0.477 175 I N 4.784 125.331 120.570 -0.037 0.000 2.410 175 I HA 0.396 4.566 4.170 -0.000 0.000 0.286 175 I C 0.099 176.199 176.117 -0.029 0.000 1.009 175 I CA -0.127 61.154 61.300 -0.030 0.000 1.111 175 I CB 1.886 39.868 38.000 -0.031 0.000 1.262 175 I HN 0.489 nan 8.210 nan 0.000 0.443 176 T N 5.241 119.782 114.554 -0.020 0.000 2.859 176 T HA 0.523 4.873 4.350 -0.000 0.000 0.281 176 T C -0.546 174.150 174.700 -0.008 0.000 1.005 176 T CA -0.581 61.510 62.100 -0.015 0.000 1.025 176 T CB 2.578 71.437 68.868 -0.015 0.000 0.977 176 T HN 0.305 nan 8.240 nan 0.000 0.458 177 V N 2.762 122.675 119.914 -0.001 0.000 2.628 177 V HA 0.810 4.930 4.120 -0.000 0.000 0.306 177 V C -0.811 175.285 176.094 0.002 0.000 1.045 177 V CA -0.486 61.815 62.300 0.002 0.000 0.905 177 V CB 1.514 33.341 31.823 0.006 0.000 0.997 177 V HN 1.098 nan 8.190 nan 0.000 0.436 178 E N 3.082 123.282 120.200 0.000 0.000 2.368 178 E HA 0.468 4.818 4.350 -0.000 0.000 0.257 178 E C -1.627 174.972 176.600 -0.001 0.000 1.022 178 E CA -1.107 55.293 56.400 0.000 0.000 0.886 178 E CB 0.733 30.431 29.700 -0.003 0.000 1.740 178 E HN 0.472 nan 8.360 nan 0.000 0.456 179 D N 0.237 120.637 120.400 -0.001 0.000 2.399 179 D HA 0.296 4.936 4.640 -0.000 0.000 0.241 179 D C 0.046 176.345 176.300 -0.003 0.000 1.133 179 D CA 0.407 54.406 54.000 -0.002 0.000 0.890 179 D CB 1.147 41.946 40.800 -0.002 0.000 1.201 179 D HN 0.531 nan 8.370 nan 0.000 0.432 180 G N -0.802 107.996 108.800 -0.003 0.000 2.477 180 G HA2 0.376 4.336 3.960 -0.000 0.000 0.304 180 G HA3 0.376 4.336 3.960 -0.000 0.000 0.304 180 G C 0.580 175.478 174.900 -0.003 0.000 1.175 180 G CA -0.506 44.592 45.100 -0.003 0.000 0.907 180 G HN 0.428 nan 8.290 nan 0.000 0.509 181 T N -2.880 111.672 114.554 -0.004 0.000 3.214 181 T HA 0.553 4.903 4.350 -0.000 0.000 0.264 181 T C 0.735 175.433 174.700 -0.003 0.000 1.012 181 T CA 0.385 62.482 62.100 -0.004 0.000 0.901 181 T CB -0.190 68.675 68.868 -0.004 0.000 1.070 181 T HN 2.040 nan 8.240 nan 0.000 0.561 182 G N 1.180 109.978 108.800 -0.003 0.000 2.335 182 G HA2 0.177 4.137 3.960 -0.000 0.000 0.592 182 G HA3 0.177 4.137 3.960 -0.000 0.000 0.592 182 G C -0.998 173.901 174.900 -0.003 0.000 1.442 182 G CA -0.968 44.131 45.100 -0.003 0.000 0.976 182 G HN 0.405 nan 8.290 nan 0.000 0.652 183 L N 1.451 122.673 121.223 -0.002 0.000 2.865 183 L HA 0.302 4.642 4.340 -0.000 0.000 0.283 183 L C 0.033 176.902 176.870 -0.002 0.000 1.101 183 L CA 1.623 56.461 54.840 -0.002 0.000 1.061 183 L CB -1.015 41.043 42.059 -0.002 0.000 1.437 183 L HN 0.836 nan 8.230 nan 0.000 0.460 184 Q N 3.078 122.876 119.800 -0.003 0.000 3.277 184 Q HA 0.078 4.418 4.340 -0.000 0.000 0.166 184 Q C -1.683 174.315 176.000 -0.003 0.000 0.995 184 Q CA -0.522 55.280 55.803 -0.003 0.000 1.203 184 Q CB 0.807 29.543 28.738 -0.003 0.000 1.880 184 Q HN 0.589 nan 8.270 nan 0.000 0.587 185 D N 3.161 123.559 120.400 -0.003 0.000 2.264 185 D HA 0.255 4.895 4.640 -0.000 0.000 0.250 185 D C -0.436 175.862 176.300 -0.003 0.000 1.113 185 D CA 0.152 54.151 54.000 -0.003 0.000 0.871 185 D CB 1.179 41.978 40.800 -0.003 0.000 1.167 185 D HN 0.307 nan 8.370 nan 0.000 0.447 186 E N 0.803 121.001 120.200 -0.004 0.000 2.256 186 E HA 0.540 4.890 4.350 -0.000 0.000 0.267 186 E C -0.947 175.650 176.600 -0.005 0.000 0.892 186 E CA -1.027 55.370 56.400 -0.004 0.000 0.775 186 E CB 2.464 32.161 29.700 -0.005 0.000 1.207 186 E HN 0.066 nan 8.360 nan 0.000 0.420 187 L N 2.639 123.859 121.223 -0.005 0.000 2.406 187 L HA 0.397 4.737 4.340 -0.000 0.000 0.270 187 L C -1.747 175.119 176.870 -0.006 0.000 0.982 187 L CA -0.280 54.556 54.840 -0.006 0.000 0.843 187 L CB 1.337 43.393 42.059 -0.006 0.000 1.225 187 L HN 0.429 nan 8.230 nan 0.000 0.412 188 D N 4.725 125.121 120.400 -0.007 0.000 2.476 188 D HA 0.292 4.932 4.640 -0.000 0.000 0.251 188 D C -0.602 175.693 176.300 -0.008 0.000 1.291 188 D CA -0.186 53.810 54.000 -0.007 0.000 0.939 188 D CB 2.584 43.380 40.800 -0.007 0.000 1.221 188 D HN 0.164 nan 8.370 nan 0.000 0.567 189 V N 2.007 121.917 119.914 -0.007 0.000 2.637 189 V HA 0.337 4.457 4.120 -0.000 0.000 0.296 189 V C 0.874 176.964 176.094 -0.007 0.000 1.046 189 V CA -0.245 62.050 62.300 -0.007 0.000 1.066 189 V CB 1.156 32.975 31.823 -0.007 0.000 0.968 189 V HN 0.409 nan 8.190 nan 0.000 0.483 190 V N 1.444 121.354 119.914 -0.007 0.000 3.167 190 V HA 0.650 4.770 4.120 -0.000 0.000 0.310 190 V C -0.403 175.689 176.094 -0.004 0.000 1.207 190 V CA -1.073 61.223 62.300 -0.007 0.000 1.059 190 V CB 2.262 34.080 31.823 -0.008 0.000 1.079 190 V HN 0.623 nan 8.190 nan 0.000 0.446 191 E N 1.824 122.022 120.200 -0.004 0.000 1.858 191 E HA 0.523 4.873 4.350 -0.000 0.000 0.267 191 E C 0.191 176.793 176.600 0.003 0.000 1.215 191 E CA 0.588 56.987 56.400 -0.001 0.000 0.952 191 E CB 0.568 30.266 29.700 -0.002 0.000 1.058 191 E HN 1.025 nan 8.360 nan 0.000 0.407 192 G N 1.416 110.220 108.800 0.007 0.000 2.818 192 G HA2 0.774 4.734 3.960 -0.000 0.000 0.286 192 G HA3 0.774 4.734 3.960 -0.000 0.000 0.286 192 G C -0.865 174.051 174.900 0.027 0.000 1.364 192 G CA -0.570 44.539 45.100 0.014 0.000 0.938 192 G HN 0.355 nan 8.290 nan 0.000 0.490 193 M N -0.206 119.421 119.600 0.045 0.000 2.534 193 M HA 0.430 4.910 4.480 -0.000 0.000 0.280 193 M C -2.093 174.257 176.300 0.084 0.000 1.217 193 M CA -0.616 54.728 55.300 0.073 0.000 0.893 193 M CB 2.637 35.301 32.600 0.107 0.000 1.730 193 M HN 0.627 nan 8.290 nan 0.000 0.483 194 Q N 3.299 123.149 119.800 0.083 0.000 2.372 194 Q HA 0.694 5.034 4.340 -0.000 0.000 0.273 194 Q C -2.118 173.957 176.000 0.125 0.000 1.078 194 Q CA -0.621 55.196 55.803 0.023 0.000 0.806 194 Q CB 2.356 31.066 28.738 -0.047 0.000 1.332 194 Q HN 0.602 nan 8.270 nan 0.000 0.435 195 F N -0.139 119.804 119.950 -0.011 0.000 2.603 195 F HA 0.518 5.045 4.527 -0.000 0.000 0.317 195 F C -0.390 175.405 175.800 -0.008 0.000 1.066 195 F CA -1.155 56.840 58.000 -0.009 0.000 0.941 195 F CB 1.078 40.074 39.000 -0.007 0.000 1.291 195 F HN 0.320 nan 8.300 nan 0.000 0.472 196 D N 2.397 122.909 120.400 0.187 0.000 3.032 196 D HA 0.141 4.781 4.640 -0.000 0.000 0.241 196 D C -0.235 176.129 176.300 0.107 0.000 1.196 196 D CA 0.308 54.358 54.000 0.084 0.000 0.927 196 D CB -0.194 40.657 40.800 0.084 0.000 1.129 196 D HN 0.291 nan 8.370 nan 0.000 0.458 197 R N 0.057 120.613 120.500 0.094 0.000 2.574 197 R HA 0.556 4.896 4.340 -0.000 0.000 0.288 197 R C 0.398 176.658 176.300 -0.066 0.000 1.004 197 R CA -0.654 55.502 56.100 0.094 0.000 0.895 197 R CB 2.288 32.773 30.300 0.308 0.000 1.191 197 R HN 0.121 nan 8.270 nan 0.000 0.444 198 G N 1.119 109.852 108.800 -0.111 0.000 2.702 198 G HA2 0.392 4.352 3.960 -0.000 0.000 0.254 198 G HA3 0.392 4.352 3.960 -0.000 0.000 0.254 198 G C -0.748 174.072 174.900 -0.134 0.000 1.380 198 G CA -0.523 44.434 45.100 -0.239 0.000 1.042 198 G HN 0.466 nan 8.290 nan 0.000 0.557 199 Y N -0.754 119.580 120.300 0.057 0.000 2.511 199 Y HA 0.387 4.937 4.550 -0.000 0.000 0.332 199 Y C 1.298 177.291 175.900 0.155 0.000 1.177 199 Y CA -1.040 57.130 58.100 0.117 0.000 1.422 199 Y CB 0.526 39.100 38.460 0.191 0.000 1.271 199 Y HN 0.187 nan 8.280 nan 0.000 0.550 200 L N 1.721 123.172 121.223 0.380 0.000 2.362 200 L HA -0.030 4.310 4.340 -0.000 0.000 0.219 200 L C 0.836 177.933 176.870 0.379 0.000 1.134 200 L CA 1.284 56.311 54.840 0.312 0.000 0.807 200 L CB -0.078 42.134 42.059 0.256 0.000 0.927 200 L HN 0.806 nan 8.230 nan 0.000 0.447 201 S N -2.458 113.565 115.700 0.539 0.000 2.537 201 S HA 0.456 4.926 4.470 -0.000 0.000 0.270 201 S C -2.553 172.090 174.600 0.072 0.000 1.142 201 S CA -1.261 57.108 58.200 0.283 0.000 0.870 201 S CB 1.750 64.995 63.200 0.074 0.000 1.112 201 S HN -0.288 nan 8.310 nan 0.000 0.466 202 P HA 0.365 nan 4.420 nan 0.000 0.296 202 P C -0.265 176.699 177.300 -0.560 0.000 1.295 202 P CA 0.384 63.094 63.100 -0.650 0.000 0.754 202 P CB 0.026 31.303 31.700 -0.705 0.000 1.311 203 Y N -5.129 114.958 120.300 -0.355 0.000 4.155 203 Y HA -0.272 4.278 4.550 -0.000 0.000 0.345 203 Y C 1.643 177.380 175.900 -0.271 0.000 1.140 203 Y CA 1.047 58.955 58.100 -0.320 0.000 2.047 203 Y CB -3.131 35.101 38.460 -0.380 0.000 0.946 203 Y HN 0.144 nan 8.280 nan 0.000 0.456 204 F N 0.297 120.225 119.950 -0.037 0.000 2.456 204 F HA 0.111 4.638 4.527 -0.000 0.000 0.298 204 F C 1.404 177.143 175.800 -0.103 0.000 1.104 204 F CA 0.061 58.030 58.000 -0.052 0.000 1.435 204 F CB -0.367 38.607 39.000 -0.044 0.000 1.078 204 F HN -0.070 nan 8.300 nan 0.000 0.546 205 I N 2.443 122.975 120.570 -0.063 0.000 2.664 205 I HA -0.124 4.046 4.170 -0.000 0.000 0.284 205 I C 0.726 176.827 176.117 -0.027 0.000 1.154 205 I CA 0.226 61.468 61.300 -0.096 0.000 1.402 205 I CB 0.150 38.019 38.000 -0.218 0.000 1.395 205 I HN 0.159 nan 8.210 nan 0.000 0.545 206 N N 4.913 123.617 118.700 0.007 0.000 2.220 206 N HA 0.035 4.775 4.740 -0.000 0.000 0.195 206 N C -0.181 175.331 175.510 0.003 0.000 1.123 206 N CA 0.083 53.140 53.050 0.012 0.000 0.874 206 N CB 0.423 38.926 38.487 0.028 0.000 0.995 206 N HN 0.290 nan 8.380 nan 0.000 0.498 207 K N 1.400 121.800 120.400 0.001 0.000 2.530 207 K HA 0.285 4.605 4.320 -0.000 0.000 0.230 207 K C -2.205 174.389 176.600 -0.009 0.000 1.002 207 K CA -1.556 54.731 56.287 -0.001 0.000 1.014 207 K CB 2.403 34.908 32.500 0.008 0.000 1.286 207 K HN 0.038 nan 8.250 nan 0.000 0.480 208 P HA 0.011 nan 4.420 nan 0.000 0.249 208 P C 0.237 177.525 177.300 -0.019 0.000 1.229 208 P CA 0.508 63.592 63.100 -0.028 0.000 0.788 208 P CB 0.657 32.338 31.700 -0.032 0.000 1.072 209 E N 0.356 120.548 120.200 -0.012 0.000 2.072 209 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 209 E C 1.909 178.501 176.600 -0.014 0.000 0.985 209 E CA 2.132 58.525 56.400 -0.012 0.000 0.801 209 E CB -1.212 28.483 29.700 -0.009 0.000 0.750 209 E HN 0.358 nan 8.360 nan 0.000 0.452 210 T N -3.798 110.752 114.554 -0.007 0.000 3.022 210 T HA 0.332 4.682 4.350 -0.000 0.000 0.250 210 T C 1.510 176.215 174.700 0.009 0.000 1.060 210 T CA 0.154 62.251 62.100 -0.005 0.000 1.013 210 T CB 0.492 69.362 68.868 0.004 0.000 0.982 210 T HN 0.285 nan 8.240 nan 0.000 0.508 211 G N 1.189 109.997 108.800 0.015 0.000 2.182 211 G HA2 0.137 4.097 3.960 -0.000 0.000 0.248 211 G HA3 0.137 4.097 3.960 -0.000 0.000 0.248 211 G C 0.057 175.027 174.900 0.117 0.000 1.042 211 G CA -0.150 44.974 45.100 0.039 0.000 0.775 211 G HN 1.210 nan 8.290 nan 0.000 0.501 212 A N -0.934 121.938 122.820 0.086 0.000 2.401 212 A HA 0.883 5.203 4.320 -0.000 0.000 0.310 212 A C -0.081 177.554 177.584 0.085 0.000 1.075 212 A CA -0.348 51.768 52.037 0.131 0.000 0.746 212 A CB 2.100 21.152 19.000 0.088 0.000 1.277 212 A HN 1.238 nan 8.150 nan 0.000 0.425 213 V N 1.472 121.458 119.914 0.120 0.000 2.432 213 V HA 0.395 4.515 4.120 -0.000 0.000 0.275 213 V C 0.214 176.340 176.094 0.054 0.000 1.043 213 V CA -0.193 62.155 62.300 0.081 0.000 0.925 213 V CB 1.034 32.924 31.823 0.111 0.000 0.985 213 V HN 0.922 nan 8.190 nan 0.000 0.466 214 E N 4.856 125.078 120.200 0.037 0.000 2.185 214 E HA 0.617 4.967 4.350 -0.000 0.000 0.261 214 E C -1.561 175.050 176.600 0.018 0.000 0.879 214 E CA -0.524 55.889 56.400 0.022 0.000 0.756 214 E CB 1.282 30.992 29.700 0.017 0.000 1.152 214 E HN 0.638 nan 8.360 nan 0.000 0.416 215 L N 3.447 124.677 121.223 0.011 0.000 2.365 215 L HA 0.520 4.860 4.340 -0.000 0.000 0.273 215 L C -0.353 176.514 176.870 -0.005 0.000 1.000 215 L CA -0.814 54.030 54.840 0.007 0.000 0.819 215 L CB 2.074 44.137 42.059 0.007 0.000 1.284 215 L HN 0.486 nan 8.230 nan 0.000 0.418 216 E N 1.259 121.454 120.200 -0.008 0.000 2.171 216 E HA 0.331 4.681 4.350 -0.000 0.000 0.271 216 E C -0.514 176.063 176.600 -0.039 0.000 0.916 216 E CA -0.569 55.818 56.400 -0.021 0.000 0.774 216 E CB 1.755 31.446 29.700 -0.015 0.000 1.128 216 E HN 0.608 nan 8.360 nan 0.000 0.403 217 S N 1.851 117.515 115.700 -0.060 0.000 3.524 217 S HA -0.126 4.344 4.470 -0.000 0.000 0.377 217 S C -2.494 172.010 174.600 -0.161 0.000 0.949 217 S CA 0.030 58.165 58.200 -0.108 0.000 1.264 217 S CB -1.344 61.797 63.200 -0.098 0.000 0.918 217 S HN 0.400 nan 8.310 nan 0.000 0.517 218 P HA 0.626 nan 4.420 nan 0.000 0.287 218 P C -0.126 177.057 177.300 -0.195 0.000 1.270 218 P CA -0.694 62.344 63.100 -0.104 0.000 0.844 218 P CB 0.492 32.178 31.700 -0.022 0.000 1.068 219 F N 0.897 120.849 119.950 0.002 0.000 2.379 219 F HA 0.429 4.956 4.527 -0.000 0.000 0.332 219 F C 0.728 176.529 175.800 0.002 0.000 1.096 219 F CA -0.101 57.900 58.000 0.002 0.000 1.105 219 F CB 0.592 39.593 39.000 0.001 0.000 1.189 219 F HN 0.021 nan 8.300 nan 0.000 0.515 220 I N 4.293 124.986 120.570 0.205 0.000 2.411 220 I HA 0.214 4.384 4.170 -0.000 0.000 0.284 220 I C -1.014 175.159 176.117 0.094 0.000 1.012 220 I CA -0.783 60.585 61.300 0.114 0.000 1.119 220 I CB 1.576 39.621 38.000 0.075 0.000 1.261 220 I HN 0.334 nan 8.210 nan 0.000 0.448 221 L N 8.284 129.548 121.223 0.067 0.000 2.369 221 L HA 0.363 4.703 4.340 -0.000 0.000 0.279 221 L C -0.904 175.981 176.870 0.024 0.000 1.108 221 L CA 0.368 55.231 54.840 0.038 0.000 0.852 221 L CB 0.217 42.289 42.059 0.023 0.000 1.169 221 L HN 0.473 nan 8.230 nan 0.000 0.452 222 L N 6.571 127.804 121.223 0.016 0.000 2.295 222 L HA 0.757 5.097 4.340 -0.000 0.000 0.281 222 L C -0.161 176.706 176.870 -0.005 0.000 1.018 222 L CA -0.199 54.641 54.840 -0.001 0.000 0.841 222 L CB 1.238 43.293 42.059 -0.006 0.000 1.218 222 L HN 0.776 nan 8.230 nan 0.000 0.424 223 A N 1.740 124.555 122.820 -0.007 0.000 2.393 223 A HA 0.559 4.879 4.320 -0.000 0.000 0.306 223 A C -1.123 176.456 177.584 -0.008 0.000 1.050 223 A CA -0.531 51.503 52.037 -0.005 0.000 0.724 223 A CB 1.487 20.488 19.000 0.002 0.000 1.248 223 A HN 0.579 nan 8.150 nan 0.000 0.424 224 D N 1.537 121.933 120.400 -0.007 0.000 2.518 224 D HA 0.475 5.115 4.640 -0.000 0.000 0.230 224 D C -0.227 176.074 176.300 0.002 0.000 1.138 224 D CA 0.224 54.221 54.000 -0.006 0.000 0.964 224 D CB -0.385 40.409 40.800 -0.010 0.000 1.011 224 D HN 0.655 nan 8.370 nan 0.000 0.517 225 K N -0.273 120.132 120.400 0.007 0.000 2.999 225 K HA 0.270 4.590 4.320 -0.000 0.000 0.295 225 K C -1.393 175.217 176.600 0.017 0.000 1.082 225 K CA -1.134 55.161 56.287 0.012 0.000 0.816 225 K CB 0.546 33.052 32.500 0.010 0.000 1.492 225 K HN -0.144 nan 8.250 nan 0.000 0.362 226 K N 1.598 122.010 120.400 0.020 0.000 2.264 226 K HA 0.372 4.692 4.320 -0.000 0.000 0.277 226 K C -0.691 175.923 176.600 0.024 0.000 1.067 226 K CA -0.457 55.844 56.287 0.025 0.000 0.900 226 K CB 0.634 33.150 32.500 0.027 0.000 1.124 226 K HN 0.363 nan 8.250 nan 0.000 0.469 227 I N 2.706 123.292 120.570 0.027 0.000 2.269 227 I HA 0.022 4.192 4.170 -0.000 0.000 0.293 227 I C 0.615 176.751 176.117 0.032 0.000 1.106 227 I CA 0.135 61.451 61.300 0.026 0.000 1.248 227 I CB 0.932 38.948 38.000 0.026 0.000 1.444 227 I HN 0.577 nan 8.210 nan 0.000 0.497 228 S N 3.550 119.267 115.700 0.028 0.000 2.539 228 S HA 0.214 4.684 4.470 -0.000 0.000 0.221 228 S C 0.502 175.117 174.600 0.025 0.000 0.987 228 S CA -0.171 58.046 58.200 0.029 0.000 0.929 228 S CB -0.049 63.166 63.200 0.025 0.000 0.832 228 S HN 0.569 nan 8.310 nan 0.000 0.492 229 N N 0.973 119.686 118.700 0.022 0.000 2.314 229 N HA 0.406 5.146 4.740 -0.000 0.000 0.294 229 N C -0.431 175.091 175.510 0.019 0.000 1.029 229 N CA -0.285 52.776 53.050 0.018 0.000 0.845 229 N CB 1.895 40.390 38.487 0.013 0.000 1.321 229 N HN 0.068 nan 8.380 nan 0.000 0.481 230 I N 1.865 122.447 120.570 0.019 0.000 3.812 230 I HA 0.079 4.249 4.170 -0.000 0.000 0.320 230 I C 2.101 178.225 176.117 0.012 0.000 1.276 230 I CA 0.204 61.515 61.300 0.019 0.000 1.164 230 I CB 0.094 38.108 38.000 0.024 0.000 1.009 230 I HN 0.415 nan 8.210 nan 0.000 0.431 231 R N 0.767 121.273 120.500 0.009 0.000 2.093 231 R HA -0.105 4.235 4.340 -0.000 0.000 0.224 231 R C 1.679 177.981 176.300 0.003 0.000 1.101 231 R CA 1.342 57.445 56.100 0.005 0.000 0.979 231 R CB 0.065 30.368 30.300 0.005 0.000 0.877 231 R HN 0.422 nan 8.270 nan 0.000 0.441 232 E N -0.094 120.108 120.200 0.005 0.000 2.208 232 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 232 E C 1.525 178.125 176.600 -0.000 0.000 0.988 232 E CA 0.730 57.132 56.400 0.002 0.000 0.828 232 E CB 0.121 29.823 29.700 0.005 0.000 0.763 232 E HN 0.306 nan 8.360 nan 0.000 0.478 233 M N 0.450 120.051 119.600 0.002 0.000 2.561 233 M HA 0.094 4.574 4.480 -0.000 0.000 0.238 233 M C 1.802 178.098 176.300 -0.005 0.000 1.131 233 M CA 0.490 55.790 55.300 -0.000 0.000 1.046 233 M CB -0.206 32.399 32.600 0.008 0.000 1.532 233 M HN 0.163 nan 8.290 nan 0.000 0.497 234 L N 1.326 122.546 121.223 -0.005 0.000 1.970 234 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 234 L C -0.195 176.665 176.870 -0.017 0.000 1.071 234 L CA 1.760 56.595 54.840 -0.008 0.000 0.751 234 L CB -2.243 39.812 42.059 -0.006 0.000 0.889 234 L HN 0.172 nan 8.230 nan 0.000 0.432 235 P HA -0.104 nan 4.420 nan 0.000 0.220 235 P C 1.671 178.944 177.300 -0.045 0.000 1.148 235 P CA 1.305 64.387 63.100 -0.029 0.000 0.803 235 P CB 0.122 31.807 31.700 -0.025 0.000 0.782 236 V N -0.280 119.607 119.914 -0.045 0.000 2.500 236 V HA -0.059 4.061 4.120 -0.000 0.000 0.243 236 V C 2.681 178.733 176.094 -0.070 0.000 1.039 236 V CA 0.965 63.226 62.300 -0.065 0.000 1.053 236 V CB -1.037 30.758 31.823 -0.048 0.000 0.695 236 V HN -0.019 nan 8.190 nan 0.000 0.463 237 L N -0.103 121.096 121.223 -0.041 0.000 2.275 237 L HA -0.083 4.257 4.340 -0.000 0.000 0.215 237 L C 2.347 179.197 176.870 -0.033 0.000 1.119 237 L CA 1.311 56.134 54.840 -0.028 0.000 0.790 237 L CB -0.292 41.763 42.059 -0.007 0.000 0.919 237 L HN 0.415 nan 8.230 nan 0.000 0.443 238 E N -0.422 119.754 120.200 -0.040 0.000 2.340 238 E HA 0.005 4.354 4.350 -0.000 0.000 0.194 238 E C 2.085 178.649 176.600 -0.059 0.000 0.996 238 E CA 0.606 56.983 56.400 -0.038 0.000 0.869 238 E CB 0.166 29.849 29.700 -0.029 0.000 0.835 238 E HN 0.424 nan 8.360 nan 0.000 0.493 239 A N 0.595 123.360 122.820 -0.091 0.000 2.123 239 A HA 0.006 4.326 4.320 -0.000 0.000 0.214 239 A C 2.042 179.499 177.584 -0.212 0.000 1.152 239 A CA 0.467 52.419 52.037 -0.142 0.000 0.728 239 A CB 0.246 19.147 19.000 -0.165 0.000 0.814 239 A HN 0.087 nan 8.150 nan 0.000 0.464 240 V N -0.998 118.813 119.914 -0.172 0.000 3.590 240 V HA 0.087 4.207 4.120 -0.000 0.000 0.265 240 V C 2.530 178.610 176.094 -0.023 0.000 1.239 240 V CA 0.988 63.205 62.300 -0.138 0.000 1.117 240 V CB -0.088 31.688 31.823 -0.077 0.000 0.818 240 V HN 0.518 nan 8.190 nan 0.000 0.451 241 A N 0.020 122.825 122.820 -0.026 0.000 2.016 241 A HA 0.022 4.342 4.320 -0.000 0.000 0.217 241 A C 1.290 178.877 177.584 0.005 0.000 1.162 241 A CA 0.730 52.767 52.037 -0.000 0.000 0.662 241 A CB -0.084 18.913 19.000 -0.005 0.000 0.812 241 A HN 0.510 nan 8.150 nan 0.000 0.450 242 K N -1.786 118.607 120.400 -0.012 0.000 2.098 242 K HA 0.513 4.833 4.320 -0.000 0.000 0.257 242 K C 0.899 177.517 176.600 0.030 0.000 0.999 242 K CA 0.232 56.518 56.287 -0.001 0.000 0.924 242 K CB 0.833 33.320 32.500 -0.021 0.000 1.028 242 K HN 0.546 nan 8.250 nan 0.000 0.466 243 A N 1.350 124.201 122.820 0.052 0.000 3.810 243 A HA -0.211 4.109 4.320 -0.000 0.000 0.245 243 A C 1.222 178.860 177.584 0.091 0.000 0.706 243 A CA 1.609 53.703 52.037 0.095 0.000 1.286 243 A CB -2.343 16.769 19.000 0.187 0.000 1.169 243 A HN 1.552 nan 8.150 nan 0.000 0.691 244 G N -1.147 107.704 108.800 0.084 0.000 2.212 244 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.255 244 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.255 244 G C -0.220 174.732 174.900 0.087 0.000 1.062 244 G CA 1.191 46.333 45.100 0.069 0.000 0.815 244 G HN 1.130 nan 8.290 nan 0.000 0.497 245 K N 0.186 120.672 120.400 0.144 0.000 2.203 245 K HA 0.524 4.844 4.320 -0.000 0.000 0.251 245 K C -2.218 174.474 176.600 0.154 0.000 0.944 245 K CA -2.173 54.205 56.287 0.152 0.000 0.829 245 K CB 1.968 34.593 32.500 0.209 0.000 1.125 245 K HN -0.002 nan 8.250 nan 0.000 0.430 246 P HA 0.008 nan 4.420 nan 0.000 0.273 246 P C -1.192 176.184 177.300 0.126 0.000 1.258 246 P CA -0.391 62.758 63.100 0.083 0.000 0.802 246 P CB 0.407 32.133 31.700 0.042 0.000 1.040 247 L N 0.231 121.505 121.223 0.084 0.000 2.445 247 L HA 0.642 4.982 4.340 -0.000 0.000 0.262 247 L C -1.832 175.056 176.870 0.031 0.000 0.974 247 L CA -0.811 54.084 54.840 0.093 0.000 0.822 247 L CB 1.789 43.894 42.059 0.076 0.000 1.339 247 L HN 0.121 nan 8.230 nan 0.000 0.409 248 L N 5.249 126.498 121.223 0.043 0.000 2.341 248 L HA 0.671 5.011 4.340 -0.000 0.000 0.278 248 L C -1.272 175.609 176.870 0.018 0.000 1.005 248 L CA -0.306 54.541 54.840 0.011 0.000 0.818 248 L CB 1.635 43.712 42.059 0.031 0.000 1.259 248 L HN 0.458 nan 8.230 nan 0.000 0.418 249 I N 7.110 127.674 120.570 -0.011 0.000 2.337 249 I HA 0.279 4.449 4.170 -0.000 0.000 0.285 249 I C -0.170 175.961 176.117 0.023 0.000 1.041 249 I CA -0.145 61.156 61.300 0.002 0.000 1.199 249 I CB 0.746 38.735 38.000 -0.017 0.000 1.370 249 I HN 0.540 nan 8.210 nan 0.000 0.470 250 I N 5.676 126.265 120.570 0.031 0.000 2.317 250 I HA 0.402 4.572 4.170 -0.000 0.000 0.286 250 I C 0.783 176.901 176.117 0.001 0.000 1.119 250 I CA -0.073 61.243 61.300 0.027 0.000 1.228 250 I CB 0.447 38.448 38.000 0.002 0.000 1.476 250 I HN 0.592 nan 8.210 nan 0.000 0.514 251 A N 3.708 126.538 122.820 0.016 0.000 2.284 251 A HA 0.416 4.736 4.320 -0.000 0.000 0.317 251 A C 1.155 178.749 177.584 0.017 0.000 1.120 251 A CA -0.464 51.581 52.037 0.013 0.000 0.900 251 A CB 0.950 19.963 19.000 0.022 0.000 1.319 251 A HN 0.620 nan 8.150 nan 0.000 0.494 252 E N -0.941 119.270 120.200 0.019 0.000 2.072 252 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 252 E C -0.628 175.997 176.600 0.042 0.000 0.985 252 E CA 1.200 57.617 56.400 0.028 0.000 0.801 252 E CB 0.201 29.917 29.700 0.027 0.000 0.750 252 E HN 0.577 nan 8.360 nan 0.000 0.452 253 D N -1.346 119.080 120.400 0.043 0.000 2.745 253 D HA 0.135 4.775 4.640 -0.000 0.000 0.221 253 D C -1.805 174.527 176.300 0.054 0.000 1.237 253 D CA -0.409 53.622 54.000 0.053 0.000 0.781 253 D CB 2.180 43.010 40.800 0.049 0.000 1.575 253 D HN -0.144 nan 8.370 nan 0.000 0.482 254 V N 3.425 123.380 119.914 0.068 0.000 2.313 254 V HA 0.450 4.570 4.120 -0.000 0.000 0.278 254 V C -0.066 176.077 176.094 0.082 0.000 1.017 254 V CA -0.476 61.867 62.300 0.073 0.000 0.823 254 V CB 1.369 33.244 31.823 0.086 0.000 1.010 254 V HN 0.367 nan 8.190 nan 0.000 0.443 255 E N 2.572 122.811 120.200 0.065 0.000 2.277 255 E HA 0.735 5.085 4.350 -0.000 0.000 0.266 255 E C 0.835 177.466 176.600 0.051 0.000 0.901 255 E CA -0.159 56.277 56.400 0.059 0.000 0.782 255 E CB 2.274 32.002 29.700 0.047 0.000 1.228 255 E HN 0.741 nan 8.360 nan 0.000 0.424 256 G N 2.014 110.841 108.800 0.045 0.000 2.677 256 G HA2 -0.446 3.514 3.960 -0.000 0.000 0.321 256 G HA3 -0.446 3.514 3.960 -0.000 0.000 0.321 256 G C 1.095 176.013 174.900 0.030 0.000 1.181 256 G CA 0.675 45.794 45.100 0.033 0.000 0.965 256 G HN 0.637 nan 8.290 nan 0.000 0.548 257 E N 1.559 121.775 120.200 0.026 0.000 2.072 257 E HA 0.053 4.403 4.350 -0.000 0.000 0.190 257 E C 2.961 179.580 176.600 0.033 0.000 0.982 257 E CA 1.876 58.289 56.400 0.023 0.000 0.803 257 E CB -0.473 29.238 29.700 0.017 0.000 0.755 257 E HN 0.817 nan 8.360 nan 0.000 0.453 258 A N 0.963 123.809 122.820 0.042 0.000 1.930 258 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 258 A C 2.160 179.794 177.584 0.084 0.000 1.175 258 A CA 1.013 53.082 52.037 0.054 0.000 0.627 258 A CB -0.441 18.588 19.000 0.049 0.000 0.815 258 A HN 0.311 nan 8.150 nan 0.000 0.443 259 L N -0.926 120.354 121.223 0.095 0.000 2.179 259 L HA 0.165 4.505 4.340 -0.000 0.000 0.208 259 L C 2.518 179.455 176.870 0.111 0.000 1.096 259 L CA 1.713 56.640 54.840 0.145 0.000 0.779 259 L CB -0.349 41.795 42.059 0.142 0.000 0.922 259 L HN 0.289 nan 8.230 nan 0.000 0.443 260 A N -1.986 120.865 122.820 0.050 0.000 2.021 260 A HA -0.039 4.281 4.320 -0.000 0.000 0.216 260 A C 2.137 179.717 177.584 -0.008 0.000 1.163 260 A CA 1.554 53.590 52.037 -0.002 0.000 0.676 260 A CB -0.711 18.278 19.000 -0.017 0.000 0.818 260 A HN 0.435 nan 8.150 nan 0.000 0.453 261 T N 0.295 114.863 114.554 0.024 0.000 2.896 261 T HA 0.045 4.395 4.350 -0.000 0.000 0.263 261 T C 1.787 176.521 174.700 0.057 0.000 1.050 261 T CA 1.005 63.120 62.100 0.025 0.000 1.140 261 T CB -0.249 68.635 68.868 0.027 0.000 0.877 261 T HN 0.335 nan 8.240 nan 0.000 0.457 262 L N 0.764 122.055 121.223 0.113 0.000 2.056 262 L HA -0.045 4.295 4.340 -0.000 0.000 0.207 262 L C 2.608 179.633 176.870 0.259 0.000 1.078 262 L CA 0.878 55.840 54.840 0.204 0.000 0.749 262 L CB -0.587 41.631 42.059 0.264 0.000 0.901 262 L HN 0.126 nan 8.230 nan 0.000 0.433 263 V N -0.833 119.151 119.914 0.118 0.000 2.626 263 V HA -0.206 3.914 4.120 -0.000 0.000 0.252 263 V C 2.251 178.249 176.094 -0.160 0.000 1.067 263 V CA 1.160 63.334 62.300 -0.210 0.000 1.081 263 V CB 0.114 31.690 31.823 -0.412 0.000 0.686 263 V HN 0.191 nan 8.190 nan 0.000 0.468 264 V N -0.069 119.788 119.914 -0.095 0.000 2.331 264 V HA -0.162 3.958 4.120 -0.000 0.000 0.242 264 V C 2.070 178.148 176.094 -0.028 0.000 1.034 264 V CA 2.014 64.259 62.300 -0.091 0.000 1.027 264 V CB -0.724 31.048 31.823 -0.085 0.000 0.667 264 V HN 0.565 nan 8.190 nan 0.000 0.457 265 N N 0.483 119.190 118.700 0.011 0.000 2.149 265 N HA -0.188 4.552 4.740 -0.000 0.000 0.188 265 N C 1.880 177.421 175.510 0.052 0.000 1.019 265 N CA 1.910 54.978 53.050 0.030 0.000 0.857 265 N CB -0.127 38.384 38.487 0.040 0.000 0.997 265 N HN 0.663 nan 8.380 nan 0.000 0.426 266 T N -1.287 113.324 114.554 0.096 0.000 2.995 266 T HA -0.019 4.331 4.350 -0.000 0.000 0.269 266 T C 1.683 176.437 174.700 0.089 0.000 1.091 266 T CA 0.538 62.711 62.100 0.122 0.000 1.128 266 T CB 0.013 69.022 68.868 0.235 0.000 0.891 266 T HN 0.126 nan 8.240 nan 0.000 0.492 267 M N -0.127 119.504 119.600 0.050 0.000 2.514 267 M HA 0.270 4.750 4.480 -0.000 0.000 0.258 267 M C 2.205 178.510 176.300 0.009 0.000 1.119 267 M CA 0.599 55.912 55.300 0.021 0.000 1.111 267 M CB 0.141 32.725 32.600 -0.027 0.000 1.390 267 M HN 0.149 nan 8.290 nan 0.000 0.475 268 R N -0.906 119.599 120.500 0.008 0.000 2.254 268 R HA 0.183 4.523 4.340 -0.000 0.000 0.195 268 R C 1.164 177.470 176.300 0.011 0.000 0.957 268 R CA 0.776 56.878 56.100 0.003 0.000 1.024 268 R CB 0.427 30.726 30.300 -0.002 0.000 0.952 268 R HN 0.529 nan 8.270 nan 0.000 0.484 269 G N 1.001 109.815 108.800 0.023 0.000 2.192 269 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.193 269 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.193 269 G C 0.187 175.104 174.900 0.028 0.000 0.999 269 G CA -0.514 44.601 45.100 0.025 0.000 0.659 269 G HN 0.173 nan 8.290 nan 0.000 0.503 270 I N 2.168 122.755 120.570 0.028 0.000 2.352 270 I HA 0.399 4.569 4.170 -0.000 0.000 0.303 270 I C 0.756 176.895 176.117 0.037 0.000 1.194 270 I CA -0.527 60.789 61.300 0.027 0.000 1.518 270 I CB 0.046 38.059 38.000 0.021 0.000 1.489 270 I HN 0.124 nan 8.210 nan 0.000 0.702 271 V N 3.971 123.908 119.914 0.039 0.000 3.585 271 V HA -0.224 3.896 4.120 -0.000 0.000 0.489 271 V C 0.314 176.443 176.094 0.058 0.000 0.682 271 V CA 0.260 62.587 62.300 0.046 0.000 2.013 271 V CB -1.240 30.608 31.823 0.040 0.000 2.442 271 V HN 0.731 nan 8.190 nan 0.000 0.504 272 K N 4.139 124.575 120.400 0.060 0.000 2.382 272 K HA 0.508 4.828 4.320 -0.000 0.000 0.286 272 K C -0.298 176.335 176.600 0.054 0.000 1.062 272 K CA 0.142 56.471 56.287 0.069 0.000 1.000 272 K CB 0.867 33.403 32.500 0.061 0.000 0.954 272 K HN 0.563 nan 8.250 nan 0.000 0.470 273 V N 1.970 121.915 119.914 0.053 0.000 2.656 273 V HA 0.753 4.873 4.120 -0.000 0.000 0.307 273 V C -0.429 175.541 176.094 -0.208 0.000 1.051 273 V CA -1.216 61.069 62.300 -0.025 0.000 0.893 273 V CB 1.888 33.711 31.823 -0.001 0.000 0.999 273 V HN 0.752 nan 8.190 nan 0.000 0.426 274 A N 3.013 125.626 122.820 -0.345 0.000 2.355 274 A HA 0.970 5.290 4.320 -0.000 0.000 0.324 274 A C -0.210 177.035 177.584 -0.565 0.000 1.117 274 A CA -0.419 51.166 52.037 -0.754 0.000 0.785 274 A CB 1.673 20.451 19.000 -0.371 0.000 1.254 274 A HN 1.469 nan 8.150 nan 0.000 0.453 275 A N 1.446 123.833 122.820 -0.722 0.000 2.291 275 A HA 0.666 4.986 4.320 -0.000 0.000 0.311 275 A C -0.194 177.369 177.584 -0.035 0.000 1.224 275 A CA -0.184 51.717 52.037 -0.227 0.000 0.821 275 A CB 0.444 19.395 19.000 -0.081 0.000 1.172 275 A HN 2.192 nan 8.150 nan 0.000 0.494 276 V N 0.277 120.212 119.914 0.034 0.000 3.001 276 V HA 0.645 4.765 4.120 -0.000 0.000 0.314 276 V C -0.255 175.913 176.094 0.123 0.000 1.099 276 V CA -1.172 61.194 62.300 0.110 0.000 0.989 276 V CB 1.546 33.463 31.823 0.157 0.000 1.040 276 V HN 0.811 nan 8.190 nan 0.000 0.434 277 K N 1.735 122.217 120.400 0.137 0.000 2.180 277 K HA 0.681 5.001 4.320 -0.000 0.000 0.251 277 K C 0.259 176.919 176.600 0.100 0.000 1.014 277 K CA 0.158 56.511 56.287 0.110 0.000 0.913 277 K CB 1.160 33.720 32.500 0.101 0.000 1.008 277 K HN 1.094 nan 8.250 nan 0.000 0.490 278 A N 2.497 125.333 122.820 0.026 0.000 2.340 278 A HA 0.347 4.667 4.320 -0.000 0.000 0.268 278 A C -2.310 175.244 177.584 -0.051 0.000 1.100 278 A CA -1.465 50.530 52.037 -0.070 0.000 0.803 278 A CB -0.050 18.915 19.000 -0.060 0.000 1.043 278 A HN 0.351 nan 8.150 nan 0.000 0.488 279 P HA 0.446 nan 4.420 nan 0.000 0.276 279 P C 0.827 178.117 177.300 -0.017 0.000 1.235 279 P CA 1.537 64.598 63.100 -0.065 0.000 0.772 279 P CB 0.922 32.503 31.700 -0.198 0.000 0.871 280 G N 2.742 111.581 108.800 0.065 0.000 2.488 280 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.237 280 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.237 280 G C -0.895 174.136 174.900 0.218 0.000 1.209 280 G CA 0.053 45.205 45.100 0.086 0.000 0.929 280 G HN 0.684 nan 8.290 nan 0.000 0.578 281 F N -2.572 117.386 119.950 0.013 0.000 2.719 281 F HA 0.672 5.199 4.527 -0.000 0.000 0.309 281 F C 1.045 176.854 175.800 0.015 0.000 1.138 281 F CA 0.574 58.583 58.000 0.015 0.000 0.943 281 F CB 0.942 39.957 39.000 0.025 0.000 1.304 281 F HN 2.450 nan 8.300 nan 0.000 0.445 282 G N 1.678 110.571 108.800 0.155 0.000 2.675 282 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.312 282 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.312 282 G C 0.451 175.332 174.900 -0.033 0.000 1.186 282 G CA 0.905 46.042 45.100 0.062 0.000 0.965 282 G HN 0.828 nan 8.290 nan 0.000 0.548 283 D N 0.735 121.079 120.400 -0.093 0.000 2.197 283 D HA 0.047 4.687 4.640 -0.000 0.000 0.212 283 D C 2.508 178.746 176.300 -0.104 0.000 0.963 283 D CA 1.319 55.273 54.000 -0.078 0.000 0.864 283 D CB -0.200 40.560 40.800 -0.066 0.000 1.009 283 D HN 0.611 nan 8.370 nan 0.000 0.479 284 R N 1.169 121.572 120.500 -0.162 0.000 2.276 284 R HA 0.073 4.413 4.340 -0.000 0.000 0.203 284 R C 1.963 178.180 176.300 -0.138 0.000 1.017 284 R CA 0.566 56.573 56.100 -0.155 0.000 1.010 284 R CB -0.085 30.097 30.300 -0.196 0.000 0.900 284 R HN -0.003 nan 8.270 nan 0.000 0.469 285 R N 1.457 121.879 120.500 -0.130 0.000 2.073 285 R HA -0.058 4.282 4.340 -0.000 0.000 0.229 285 R C 1.182 177.432 176.300 -0.083 0.000 1.120 285 R CA 1.551 57.596 56.100 -0.092 0.000 0.967 285 R CB -0.004 30.270 30.300 -0.042 0.000 0.862 285 R HN 0.281 nan 8.270 nan 0.000 0.436 286 K N 0.060 120.420 120.400 -0.068 0.000 2.167 286 K HA 0.047 4.367 4.320 -0.000 0.000 0.203 286 K C 2.057 178.620 176.600 -0.062 0.000 1.052 286 K CA 1.023 57.277 56.287 -0.055 0.000 0.956 286 K CB 0.010 32.487 32.500 -0.038 0.000 0.735 286 K HN 0.191 nan 8.250 nan 0.000 0.451 287 A N 1.088 123.867 122.820 -0.069 0.000 2.015 287 A HA -0.049 4.271 4.320 -0.000 0.000 0.219 287 A C 2.003 179.541 177.584 -0.076 0.000 1.163 287 A CA 1.141 53.138 52.037 -0.066 0.000 0.646 287 A CB -0.333 18.626 19.000 -0.069 0.000 0.806 287 A HN 0.172 nan 8.150 nan 0.000 0.448 288 M N -1.081 118.463 119.600 -0.095 0.000 2.476 288 M HA 0.145 4.625 4.480 -0.000 0.000 0.262 288 M C 1.696 177.915 176.300 -0.135 0.000 1.111 288 M CA 0.624 55.855 55.300 -0.115 0.000 1.127 288 M CB -0.106 32.411 32.600 -0.138 0.000 1.376 288 M HN 0.344 nan 8.290 nan 0.000 0.465 289 L N -0.228 120.922 121.223 -0.122 0.000 2.217 289 L HA -0.174 4.166 4.340 -0.000 0.000 0.211 289 L C 2.452 179.276 176.870 -0.077 0.000 1.107 289 L CA 0.817 55.589 54.840 -0.114 0.000 0.783 289 L CB -0.312 41.694 42.059 -0.088 0.000 0.919 289 L HN 0.271 nan 8.230 nan 0.000 0.442 290 Q N 0.176 119.938 119.800 -0.064 0.000 2.187 290 Q HA -0.172 4.168 4.340 -0.000 0.000 0.199 290 Q C 1.540 177.512 176.000 -0.047 0.000 0.957 290 Q CA 1.406 57.182 55.803 -0.046 0.000 0.857 290 Q CB 0.000 28.715 28.738 -0.040 0.000 0.929 290 Q HN 0.335 nan 8.270 nan 0.000 0.453 291 D N -0.554 119.810 120.400 -0.060 0.000 2.182 291 D HA -0.123 4.517 4.640 -0.000 0.000 0.201 291 D C 1.472 177.745 176.300 -0.044 0.000 0.986 291 D CA 1.199 55.168 54.000 -0.053 0.000 0.847 291 D CB 0.029 40.791 40.800 -0.064 0.000 0.942 291 D HN 0.381 nan 8.370 nan 0.000 0.467 292 I N 0.115 120.647 120.570 -0.063 0.000 2.480 292 I HA -0.051 4.119 4.170 -0.000 0.000 0.251 292 I C 2.329 178.434 176.117 -0.019 0.000 1.124 292 I CA 0.574 61.849 61.300 -0.042 0.000 1.444 292 I CB -0.172 37.779 38.000 -0.082 0.000 1.098 292 I HN -0.087 nan 8.210 nan 0.000 0.428 293 A N 0.904 123.708 122.820 -0.025 0.000 1.930 293 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 293 A C 2.379 179.960 177.584 -0.006 0.000 1.175 293 A CA 2.265 54.296 52.037 -0.011 0.000 0.627 293 A CB -0.998 17.994 19.000 -0.014 0.000 0.815 293 A HN 0.385 nan 8.150 nan 0.000 0.443 294 T N 0.383 114.930 114.554 -0.011 0.000 2.737 294 T HA -0.088 4.262 4.350 -0.000 0.000 0.265 294 T C 1.813 176.511 174.700 -0.004 0.000 1.038 294 T CA 1.180 63.276 62.100 -0.008 0.000 1.144 294 T CB -0.335 68.526 68.868 -0.012 0.000 0.866 294 T HN 0.248 nan 8.240 nan 0.000 0.434 295 L N 2.101 123.322 121.223 -0.003 0.000 2.191 295 L HA -0.070 4.270 4.340 -0.000 0.000 0.212 295 L C 2.354 179.227 176.870 0.005 0.000 1.103 295 L CA 2.260 57.101 54.840 0.002 0.000 0.769 295 L CB -1.328 40.737 42.059 0.009 0.000 0.908 295 L HN 0.520 nan 8.230 nan 0.000 0.438 296 T N -4.669 109.888 114.554 0.006 0.000 3.022 296 T HA 0.220 4.569 4.350 -0.000 0.000 0.250 296 T C 1.256 175.960 174.700 0.008 0.000 1.060 296 T CA 0.506 62.610 62.100 0.007 0.000 1.013 296 T CB 0.100 68.977 68.868 0.015 0.000 0.982 296 T HN 0.469 nan 8.240 nan 0.000 0.508 297 G N 0.777 109.583 108.800 0.009 0.000 2.298 297 G HA2 0.105 4.065 3.960 -0.000 0.000 0.287 297 G HA3 0.105 4.065 3.960 -0.000 0.000 0.287 297 G C 0.290 175.205 174.900 0.026 0.000 1.075 297 G CA -0.119 44.989 45.100 0.013 0.000 0.960 297 G HN 1.035 nan 8.290 nan 0.000 0.502 298 G N -1.464 107.351 108.800 0.024 0.000 2.667 298 G HA2 0.865 4.825 3.960 -0.000 0.000 0.310 298 G HA3 0.865 4.825 3.960 -0.000 0.000 0.310 298 G C -0.384 174.526 174.900 0.018 0.000 1.259 298 G CA 0.139 45.258 45.100 0.033 0.000 1.019 298 G HN 0.730 nan 8.290 nan 0.000 0.496 299 T N -0.138 114.427 114.554 0.017 0.000 2.841 299 T HA 0.448 4.798 4.350 -0.000 0.000 0.283 299 T C -0.239 174.462 174.700 0.001 0.000 1.000 299 T CA -0.368 61.735 62.100 0.006 0.000 0.977 299 T CB 1.872 70.743 68.868 0.006 0.000 0.979 299 T HN 0.352 nan 8.240 nan 0.000 0.446 300 V N 4.017 123.927 119.914 -0.006 0.000 2.470 300 V HA 0.233 4.353 4.120 -0.000 0.000 0.276 300 V C 0.384 176.473 176.094 -0.008 0.000 1.040 300 V CA -0.364 61.929 62.300 -0.011 0.000 1.008 300 V CB -0.007 31.805 31.823 -0.020 0.000 0.990 300 V HN 0.771 nan 8.190 nan 0.000 0.477 301 I N 5.461 126.027 120.570 -0.006 0.000 2.241 301 I HA 0.191 4.361 4.170 -0.000 0.000 0.294 301 I C 0.812 176.926 176.117 -0.004 0.000 1.145 301 I CA 0.193 61.491 61.300 -0.004 0.000 1.261 301 I CB 0.083 38.081 38.000 -0.003 0.000 1.475 301 I HN 0.707 nan 8.210 nan 0.000 0.533 302 S N 2.887 118.584 115.700 -0.005 0.000 2.616 302 S HA 0.345 4.815 4.470 -0.000 0.000 0.277 302 S C 0.717 175.315 174.600 -0.002 0.000 1.234 302 S CA -0.797 57.401 58.200 -0.004 0.000 1.028 302 S CB 1.822 65.018 63.200 -0.006 0.000 0.988 302 S HN 0.563 nan 8.310 nan 0.000 0.522 303 E N 0.812 121.013 120.200 0.000 0.000 2.299 303 E HA -0.064 4.286 4.350 -0.000 0.000 0.193 303 E C 1.414 178.015 176.600 0.001 0.000 0.998 303 E CA 0.536 56.937 56.400 0.001 0.000 0.851 303 E CB -0.052 29.650 29.700 0.004 0.000 0.795 303 E HN 0.776 nan 8.360 nan 0.000 0.492 304 E N 0.787 120.987 120.200 0.000 0.000 2.150 304 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 304 E C 1.876 178.475 176.600 -0.001 0.000 0.985 304 E CA 0.740 57.140 56.400 0.000 0.000 0.814 304 E CB 0.068 29.768 29.700 -0.000 0.000 0.752 304 E HN 0.298 nan 8.360 nan 0.000 0.466 305 I N -0.850 119.719 120.570 -0.002 0.000 3.030 305 I HA 0.051 4.221 4.170 -0.000 0.000 0.270 305 I C 1.502 177.618 176.117 -0.002 0.000 1.211 305 I CA 0.634 61.932 61.300 -0.003 0.000 1.479 305 I CB 0.286 38.284 38.000 -0.004 0.000 1.105 305 I HN 0.253 nan 8.210 nan 0.000 0.447 306 G N 1.005 109.804 108.800 -0.001 0.000 2.168 306 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.197 306 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.197 306 G C 0.292 175.191 174.900 -0.002 0.000 0.997 306 G CA -0.499 44.601 45.100 -0.001 0.000 0.658 306 G HN 0.167 nan 8.290 nan 0.000 0.513 307 M N 1.131 120.730 119.600 -0.002 0.000 2.217 307 M HA 0.420 4.900 4.480 -0.000 0.000 0.354 307 M C 0.722 177.020 176.300 -0.002 0.000 1.225 307 M CA 0.486 55.784 55.300 -0.003 0.000 1.137 307 M CB 0.619 33.217 32.600 -0.003 0.000 1.576 307 M HN 0.318 nan 8.290 nan 0.000 0.461 308 E N 1.937 122.135 120.200 -0.003 0.000 2.405 308 E HA 0.339 4.689 4.350 -0.000 0.000 0.249 308 E C 0.094 176.691 176.600 -0.004 0.000 1.028 308 E CA -0.687 55.711 56.400 -0.003 0.000 0.897 308 E CB 1.194 30.892 29.700 -0.003 0.000 1.262 308 E HN 0.634 nan 8.360 nan 0.000 0.442 309 L N 0.633 121.854 121.223 -0.004 0.000 2.585 309 L HA 0.075 4.415 4.340 -0.000 0.000 0.226 309 L C 1.295 178.160 176.870 -0.009 0.000 1.113 309 L CA 0.395 55.231 54.840 -0.006 0.000 0.876 309 L CB 0.100 42.158 42.059 -0.002 0.000 1.072 309 L HN 0.442 nan 8.230 nan 0.000 0.468 310 E N -0.072 120.123 120.200 -0.008 0.000 2.250 310 E HA -0.014 4.336 4.350 -0.000 0.000 0.192 310 E C 1.266 177.858 176.600 -0.013 0.000 0.986 310 E CA 0.456 56.849 56.400 -0.011 0.000 0.849 310 E CB 0.274 29.969 29.700 -0.008 0.000 0.797 310 E HN 0.069 nan 8.360 nan 0.000 0.482 311 K N 0.650 121.043 120.400 -0.011 0.000 2.504 311 K HA 0.294 4.614 4.320 -0.000 0.000 0.199 311 K C -0.233 176.359 176.600 -0.015 0.000 1.028 311 K CA -0.024 56.256 56.287 -0.012 0.000 1.164 311 K CB 0.690 33.185 32.500 -0.008 0.000 0.877 311 K HN -0.006 nan 8.250 nan 0.000 0.508 312 A N 1.570 124.379 122.820 -0.019 0.000 2.276 312 A HA 0.384 4.704 4.320 -0.000 0.000 0.316 312 A C 0.599 178.160 177.584 -0.037 0.000 1.229 312 A CA -0.504 51.520 52.037 -0.023 0.000 0.851 312 A CB 0.439 19.427 19.000 -0.021 0.000 1.165 312 A HN 0.234 nan 8.150 nan 0.000 0.513 313 T N 0.316 114.848 114.554 -0.038 0.000 2.902 313 T HA 0.475 4.825 4.350 -0.000 0.000 0.287 313 T C 1.152 175.801 174.700 -0.084 0.000 1.048 313 T CA -0.501 61.566 62.100 -0.055 0.000 0.941 313 T CB 0.156 69.002 68.868 -0.036 0.000 1.432 313 T HN 0.286 nan 8.240 nan 0.000 0.586 314 L N -0.034 121.125 121.223 -0.108 0.000 2.240 314 L HA 0.133 4.473 4.340 -0.000 0.000 0.211 314 L C 2.947 179.809 176.870 -0.014 0.000 1.106 314 L CA 1.043 55.782 54.840 -0.169 0.000 0.793 314 L CB -0.377 41.545 42.059 -0.228 0.000 0.927 314 L HN 0.801 nan 8.230 nan 0.000 0.446 315 E N 0.099 120.306 120.200 0.012 0.000 2.152 315 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 315 E C 1.192 177.820 176.600 0.047 0.000 0.983 315 E CA 0.864 57.292 56.400 0.047 0.000 0.818 315 E CB 0.245 29.962 29.700 0.028 0.000 0.758 315 E HN 0.431 nan 8.360 nan 0.000 0.467 316 D N 0.214 120.629 120.400 0.024 0.000 2.350 316 D HA -0.076 4.564 4.640 -0.000 0.000 0.216 316 D C -0.088 176.237 176.300 0.041 0.000 0.968 316 D CA 0.498 54.511 54.000 0.022 0.000 0.894 316 D CB 0.089 40.891 40.800 0.004 0.000 0.909 316 D HN 0.117 nan 8.370 nan 0.000 0.520 317 L N 0.878 122.145 121.223 0.074 0.000 2.276 317 L HA 0.334 4.674 4.340 -0.000 0.000 0.286 317 L C 1.492 178.464 176.870 0.169 0.000 1.061 317 L CA -0.377 54.546 54.840 0.138 0.000 0.807 317 L CB 1.096 43.282 42.059 0.212 0.000 1.177 317 L HN -0.144 nan 8.230 nan 0.000 0.429 318 G N 2.446 111.311 108.800 0.108 0.000 2.504 318 G HA2 0.249 4.209 3.960 -0.000 0.000 0.291 318 G HA3 0.249 4.209 3.960 -0.000 0.000 0.291 318 G C -0.556 174.377 174.900 0.055 0.000 1.345 318 G CA -0.105 45.037 45.100 0.070 0.000 1.090 318 G HN 0.618 nan 8.290 nan 0.000 0.591 319 Q N -2.626 117.165 119.800 -0.016 0.000 2.574 319 Q HA 0.513 4.853 4.340 -0.000 0.000 0.265 319 Q C -1.061 174.890 176.000 -0.083 0.000 0.975 319 Q CA -0.456 55.281 55.803 -0.111 0.000 0.923 319 Q CB 1.428 30.039 28.738 -0.211 0.000 1.518 319 Q HN 1.055 nan 8.270 nan 0.000 0.401 320 A N 2.098 124.862 122.820 -0.094 0.000 2.483 320 A HA 0.580 4.900 4.320 -0.000 0.000 0.286 320 A C -0.466 177.073 177.584 -0.074 0.000 1.207 320 A CA -0.547 51.454 52.037 -0.061 0.000 0.764 320 A CB 1.474 20.457 19.000 -0.028 0.000 1.341 320 A HN 0.775 nan 8.150 nan 0.000 0.428 321 K N -0.729 119.641 120.400 -0.051 0.000 2.243 321 K HA 0.117 4.437 4.320 -0.000 0.000 0.201 321 K C 0.624 177.200 176.600 -0.040 0.000 1.051 321 K CA 0.939 57.198 56.287 -0.048 0.000 0.970 321 K CB 0.253 32.732 32.500 -0.035 0.000 0.755 321 K HN 0.523 nan 8.250 nan 0.000 0.465 322 R N -0.123 120.358 120.500 -0.031 0.000 2.687 322 R HA 0.177 4.517 4.340 -0.000 0.000 0.265 322 R C -2.108 174.182 176.300 -0.016 0.000 1.048 322 R CA -0.576 55.510 56.100 -0.022 0.000 0.884 322 R CB 1.731 32.020 30.300 -0.017 0.000 1.258 322 R HN -0.068 nan 8.270 nan 0.000 0.469 323 V N -0.066 119.841 119.914 -0.012 0.000 2.760 323 V HA 0.736 4.856 4.120 -0.000 0.000 0.309 323 V C -1.011 175.075 176.094 -0.013 0.000 1.077 323 V CA -0.819 61.474 62.300 -0.013 0.000 0.910 323 V CB 1.916 33.736 31.823 -0.005 0.000 1.008 323 V HN 0.401 nan 8.190 nan 0.000 0.424 324 V N 5.401 125.299 119.914 -0.028 0.000 2.448 324 V HA 0.598 4.718 4.120 -0.000 0.000 0.295 324 V C -0.295 175.776 176.094 -0.037 0.000 1.025 324 V CA -0.337 61.953 62.300 -0.018 0.000 0.859 324 V CB 1.630 33.444 31.823 -0.015 0.000 0.988 324 V HN 0.838 nan 8.190 nan 0.000 0.431 325 I N 4.739 125.317 120.570 0.012 0.000 2.448 325 I HA 0.419 4.589 4.170 -0.000 0.000 0.281 325 I C -0.088 176.085 176.117 0.093 0.000 1.027 325 I CA -0.426 60.886 61.300 0.021 0.000 1.111 325 I CB 1.458 39.504 38.000 0.077 0.000 1.236 325 I HN 0.530 nan 8.210 nan 0.000 0.452 326 N N 4.492 123.176 118.700 -0.028 0.000 2.366 326 N HA 0.184 4.924 4.740 -0.000 0.000 0.277 326 N C 1.130 176.424 175.510 -0.360 0.000 1.275 326 N CA -0.406 52.615 53.050 -0.049 0.000 0.964 326 N CB 0.770 39.223 38.487 -0.057 0.000 1.167 326 N HN 0.469 nan 8.380 nan 0.000 0.568 327 K N -0.108 120.082 120.400 -0.349 0.000 2.074 327 K HA -0.198 4.122 4.320 -0.000 0.000 0.209 327 K C -0.367 175.914 176.600 -0.531 0.000 1.048 327 K CA 2.125 58.035 56.287 -0.629 0.000 0.926 327 K CB -0.008 32.373 32.500 -0.198 0.000 0.713 327 K HN 0.683 nan 8.250 nan 0.000 0.444 328 D N -1.589 118.642 120.400 -0.281 0.000 2.692 328 D HA 0.110 4.750 4.640 -0.000 0.000 0.290 328 D C -1.011 175.209 176.300 -0.134 0.000 1.455 328 D CA -0.451 53.444 54.000 -0.175 0.000 0.796 328 D CB 1.017 41.759 40.800 -0.097 0.000 1.131 328 D HN -0.151 nan 8.370 nan 0.000 0.467 329 T N -0.180 114.270 114.554 -0.173 0.000 3.071 329 T HA 0.521 4.871 4.350 -0.000 0.000 0.311 329 T C -0.939 173.599 174.700 -0.269 0.000 1.042 329 T CA -0.511 61.478 62.100 -0.185 0.000 1.028 329 T CB 2.017 70.812 68.868 -0.121 0.000 1.068 329 T HN -0.109 nan 8.240 nan 0.000 0.451 330 T N 2.536 116.793 114.554 -0.495 0.000 2.786 330 T HA 0.595 4.945 4.350 -0.000 0.000 0.283 330 T C -0.160 174.128 174.700 -0.687 0.000 0.992 330 T CA -0.444 61.282 62.100 -0.623 0.000 0.954 330 T CB 1.548 69.932 68.868 -0.807 0.000 0.934 330 T HN 0.553 nan 8.240 nan 0.000 0.440 331 T N 3.500 117.855 114.554 -0.333 0.000 2.823 331 T HA 0.706 5.056 4.350 -0.000 0.000 0.279 331 T C -0.623 174.018 174.700 -0.098 0.000 0.998 331 T CA -0.678 61.306 62.100 -0.194 0.000 0.994 331 T CB 0.223 69.022 68.868 -0.114 0.000 0.960 331 T HN 0.446 nan 8.240 nan 0.000 0.448 332 I N 5.729 126.284 120.570 -0.024 0.000 2.362 332 I HA 0.481 4.651 4.170 -0.000 0.000 0.289 332 I C -0.471 175.653 176.117 0.011 0.000 0.994 332 I CA -0.737 60.576 61.300 0.022 0.000 1.158 332 I CB 1.658 39.712 38.000 0.090 0.000 1.315 332 I HN 0.510 nan 8.210 nan 0.000 0.451 333 I N 5.228 125.798 120.570 -0.001 0.000 2.362 333 I HA 0.293 4.463 4.170 -0.000 0.000 0.289 333 I C -0.555 175.556 176.117 -0.010 0.000 0.994 333 I CA -0.473 60.822 61.300 -0.007 0.000 1.158 333 I CB 1.322 39.314 38.000 -0.013 0.000 1.315 333 I HN 0.591 nan 8.210 nan 0.000 0.451 334 D N 4.991 125.386 120.400 -0.008 0.000 3.357 334 D HA -0.121 4.519 4.640 -0.000 0.000 0.238 334 D C 0.231 176.522 176.300 -0.015 0.000 1.126 334 D CA 0.915 54.908 54.000 -0.012 0.000 0.984 334 D CB -0.174 40.616 40.800 -0.017 0.000 0.925 334 D HN 0.833 nan 8.370 nan 0.000 0.414 335 G N 0.726 109.522 108.800 -0.007 0.000 2.403 335 G HA2 0.371 4.331 3.960 -0.000 0.000 0.259 335 G HA3 0.371 4.331 3.960 -0.000 0.000 0.259 335 G C 1.399 176.291 174.900 -0.013 0.000 1.244 335 G CA -0.417 44.678 45.100 -0.008 0.000 0.849 335 G HN 0.332 nan 8.290 nan 0.000 0.532 336 V N 2.762 122.664 119.914 -0.019 0.000 2.970 336 V HA 0.011 4.131 4.120 -0.000 0.000 0.260 336 V C 2.140 178.228 176.094 -0.010 0.000 1.100 336 V CA 1.183 63.471 62.300 -0.020 0.000 1.122 336 V CB -1.036 30.768 31.823 -0.032 0.000 0.721 336 V HN 0.780 nan 8.190 nan 0.000 0.483 337 G N 0.587 109.384 108.800 -0.005 0.000 2.491 337 G HA2 0.174 4.134 3.960 -0.000 0.000 0.238 337 G HA3 0.174 4.134 3.960 -0.000 0.000 0.238 337 G C -0.099 174.799 174.900 -0.003 0.000 1.277 337 G CA -0.350 44.748 45.100 -0.002 0.000 0.851 337 G HN 0.270 nan 8.290 nan 0.000 0.573 338 E N 1.111 121.309 120.200 -0.002 0.000 2.392 338 E HA 0.009 4.359 4.350 -0.000 0.000 0.264 338 E C 1.210 177.808 176.600 -0.004 0.000 1.024 338 E CA -0.017 56.382 56.400 -0.003 0.000 0.903 338 E CB 1.280 30.979 29.700 -0.002 0.000 0.963 338 E HN 0.682 nan 8.360 nan 0.000 0.432 339 E N 1.582 121.779 120.200 -0.004 0.000 2.204 339 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 339 E C 1.623 178.220 176.600 -0.005 0.000 0.990 339 E CA 1.077 57.474 56.400 -0.004 0.000 0.821 339 E CB 0.097 29.794 29.700 -0.005 0.000 0.750 339 E HN 0.554 nan 8.360 nan 0.000 0.477 340 A N 1.396 124.213 122.820 -0.004 0.000 1.898 340 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 340 A C 2.374 179.955 177.584 -0.005 0.000 1.181 340 A CA 1.501 53.535 52.037 -0.004 0.000 0.620 340 A CB -0.485 18.513 19.000 -0.003 0.000 0.819 340 A HN 0.290 nan 8.150 nan 0.000 0.442 341 A N 0.094 122.912 122.820 -0.004 0.000 1.898 341 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 341 A C 2.123 179.703 177.584 -0.007 0.000 1.181 341 A CA 1.462 53.496 52.037 -0.005 0.000 0.620 341 A CB -0.606 18.392 19.000 -0.004 0.000 0.819 341 A HN 0.498 nan 8.150 nan 0.000 0.442 342 I N -1.076 119.490 120.570 -0.006 0.000 2.113 342 I HA -0.254 3.916 4.170 -0.000 0.000 0.238 342 I C 2.679 178.791 176.117 -0.008 0.000 1.070 342 I CA 1.853 63.148 61.300 -0.007 0.000 1.332 342 I CB -0.450 37.547 38.000 -0.005 0.000 1.044 342 I HN 0.333 nan 8.210 nan 0.000 0.402 343 Q N 1.200 120.995 119.800 -0.007 0.000 2.436 343 Q HA -0.050 4.290 4.340 -0.000 0.000 0.209 343 Q C 1.840 177.835 176.000 -0.009 0.000 0.965 343 Q CA 1.296 57.094 55.803 -0.008 0.000 0.910 343 Q CB -0.185 28.549 28.738 -0.007 0.000 0.980 343 Q HN 0.502 nan 8.270 nan 0.000 0.491 344 G N -0.609 108.186 108.800 -0.009 0.000 2.539 344 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.215 344 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.215 344 G C 1.519 176.412 174.900 -0.011 0.000 1.141 344 G CA 0.352 45.447 45.100 -0.009 0.000 0.806 344 G HN 0.240 nan 8.290 nan 0.000 0.533 345 R N 0.233 120.726 120.500 -0.012 0.000 2.093 345 R HA 0.144 4.484 4.340 -0.000 0.000 0.224 345 R C 2.389 178.678 176.300 -0.018 0.000 1.101 345 R CA 0.920 57.011 56.100 -0.016 0.000 0.979 345 R CB -0.718 29.572 30.300 -0.017 0.000 0.877 345 R HN 0.141 nan 8.270 nan 0.000 0.441 346 V N 0.822 120.727 119.914 -0.015 0.000 2.427 346 V HA -0.160 3.960 4.120 -0.000 0.000 0.248 346 V C 2.252 178.337 176.094 -0.016 0.000 1.051 346 V CA 1.876 64.167 62.300 -0.016 0.000 1.048 346 V CB -0.682 31.133 31.823 -0.013 0.000 0.666 346 V HN 0.521 nan 8.190 nan 0.000 0.456 347 A N -1.065 121.747 122.820 -0.014 0.000 1.930 347 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 347 A C 2.157 179.732 177.584 -0.014 0.000 1.175 347 A CA 1.724 53.753 52.037 -0.013 0.000 0.627 347 A CB -0.406 18.588 19.000 -0.011 0.000 0.815 347 A HN 0.613 nan 8.150 nan 0.000 0.443 348 Q N -0.379 119.411 119.800 -0.016 0.000 2.002 348 Q HA -0.178 4.162 4.340 -0.000 0.000 0.204 348 Q C 2.073 178.060 176.000 -0.020 0.000 0.988 348 Q CA 1.892 57.685 55.803 -0.017 0.000 0.843 348 Q CB -0.420 28.307 28.738 -0.018 0.000 0.908 348 Q HN 0.771 nan 8.270 nan 0.000 0.420 349 I N 0.085 120.641 120.570 -0.024 0.000 2.361 349 I HA -0.255 3.915 4.170 -0.000 0.000 0.251 349 I C 2.540 178.641 176.117 -0.027 0.000 1.133 349 I CA 0.974 62.256 61.300 -0.029 0.000 1.413 349 I CB -0.298 37.682 38.000 -0.033 0.000 1.073 349 I HN 0.121 nan 8.210 nan 0.000 0.424 350 R N 0.758 121.245 120.500 -0.022 0.000 2.092 350 R HA -0.170 4.170 4.340 -0.000 0.000 0.231 350 R C 2.385 178.675 176.300 -0.017 0.000 1.119 350 R CA 1.232 57.321 56.100 -0.019 0.000 0.970 350 R CB -0.101 30.190 30.300 -0.016 0.000 0.864 350 R HN 0.395 nan 8.270 nan 0.000 0.440 351 Q N 0.039 119.830 119.800 -0.016 0.000 2.137 351 Q HA -0.133 4.207 4.340 -0.000 0.000 0.198 351 Q C 1.496 177.487 176.000 -0.016 0.000 0.960 351 Q CA 1.142 56.936 55.803 -0.014 0.000 0.847 351 Q CB 0.268 28.999 28.738 -0.012 0.000 0.915 351 Q HN 0.448 nan 8.270 nan 0.000 0.448 352 Q N -0.093 119.696 119.800 -0.019 0.000 2.541 352 Q HA -0.030 4.310 4.340 -0.000 0.000 0.215 352 Q C 1.499 177.484 176.000 -0.024 0.000 0.977 352 Q CA 0.353 56.143 55.803 -0.022 0.000 0.934 352 Q CB 0.215 28.937 28.738 -0.027 0.000 0.988 352 Q HN 0.472 nan 8.270 nan 0.000 0.521 353 I N 0.064 120.621 120.570 -0.023 0.000 2.852 353 I HA -0.134 4.036 4.170 -0.000 0.000 0.264 353 I C 1.762 177.870 176.117 -0.016 0.000 1.179 353 I CA 0.386 61.672 61.300 -0.023 0.000 1.480 353 I CB 0.111 38.097 38.000 -0.024 0.000 1.111 353 I HN 0.094 nan 8.210 nan 0.000 0.441 354 E N 1.359 121.551 120.200 -0.013 0.000 2.107 354 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 354 E C 1.486 178.082 176.600 -0.008 0.000 0.982 354 E CA 1.009 57.404 56.400 -0.009 0.000 0.809 354 E CB -0.253 29.442 29.700 -0.008 0.000 0.756 354 E HN 0.563 nan 8.360 nan 0.000 0.459 355 E N 0.949 121.144 120.200 -0.009 0.000 2.512 355 E HA 0.139 4.489 4.350 -0.000 0.000 0.195 355 E C 0.151 176.747 176.600 -0.006 0.000 1.083 355 E CA -0.051 56.345 56.400 -0.007 0.000 0.873 355 E CB 0.214 29.908 29.700 -0.009 0.000 0.897 355 E HN 0.057 nan 8.360 nan 0.000 0.514 356 A N 1.365 124.180 122.820 -0.007 0.000 2.347 356 A HA 0.148 4.468 4.320 -0.000 0.000 0.287 356 A C 1.226 178.813 177.584 0.005 0.000 1.199 356 A CA -0.415 51.619 52.037 -0.004 0.000 0.851 356 A CB 0.127 19.120 19.000 -0.011 0.000 1.118 356 A HN 0.195 nan 8.150 nan 0.000 0.525 357 T N -0.256 114.305 114.554 0.011 0.000 3.100 357 T HA 0.218 4.568 4.350 -0.000 0.000 0.253 357 T C 0.791 175.505 174.700 0.023 0.000 1.118 357 T CA 0.760 62.869 62.100 0.015 0.000 1.058 357 T CB -0.062 68.814 68.868 0.014 0.000 0.953 357 T HN 0.567 nan 8.240 nan 0.000 0.515 358 S N -0.480 115.240 115.700 0.032 0.000 2.599 358 S HA 0.375 4.845 4.470 -0.000 0.000 0.287 358 S C -0.153 174.480 174.600 0.055 0.000 1.105 358 S CA -0.718 57.513 58.200 0.052 0.000 0.899 358 S CB 1.674 64.923 63.200 0.081 0.000 1.100 358 S HN 0.098 nan 8.310 nan 0.000 0.482 359 D N 0.885 121.326 120.400 0.069 0.000 2.234 359 D HA -0.033 4.607 4.640 -0.000 0.000 0.205 359 D C 1.159 177.513 176.300 0.090 0.000 0.962 359 D CA 0.993 55.031 54.000 0.063 0.000 0.855 359 D CB -0.047 40.789 40.800 0.059 0.000 0.951 359 D HN 0.640 nan 8.370 nan 0.000 0.500 360 Y N 2.199 122.498 120.300 -0.002 0.000 2.153 360 Y HA -0.150 4.400 4.550 -0.000 0.000 0.289 360 Y C 1.541 177.434 175.900 -0.012 0.000 1.127 360 Y CA 1.584 59.682 58.100 -0.003 0.000 1.131 360 Y CB -0.140 38.321 38.460 0.001 0.000 0.995 360 Y HN -0.225 nan 8.280 nan 0.000 0.505 361 D N -0.088 120.308 120.400 -0.007 0.000 2.149 361 D HA -0.186 4.454 4.640 -0.000 0.000 0.198 361 D C 2.214 178.434 176.300 -0.134 0.000 0.990 361 D CA 1.515 55.451 54.000 -0.106 0.000 0.839 361 D CB -0.276 40.526 40.800 0.003 0.000 0.948 361 D HN 0.284 nan 8.370 nan 0.000 0.460 362 R N 0.551 121.006 120.500 -0.075 0.000 2.070 362 R HA -0.136 4.204 4.340 -0.000 0.000 0.233 362 R C 1.968 178.216 176.300 -0.087 0.000 1.137 362 R CA 1.417 57.480 56.100 -0.062 0.000 0.945 362 R CB -0.025 30.259 30.300 -0.027 0.000 0.845 362 R HN 0.235 nan 8.270 nan 0.000 0.430 363 E N 0.003 120.142 120.200 -0.101 0.000 2.118 363 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 363 E C 1.960 178.471 176.600 -0.148 0.000 0.992 363 E CA 0.981 57.318 56.400 -0.105 0.000 0.804 363 E CB 0.098 29.747 29.700 -0.085 0.000 0.741 363 E HN 0.128 nan 8.360 nan 0.000 0.458 364 K N 0.590 120.846 120.400 -0.241 0.000 2.097 364 K HA -0.073 4.247 4.320 -0.000 0.000 0.205 364 K C 2.158 178.667 176.600 -0.153 0.000 1.050 364 K CA 0.826 56.967 56.287 -0.242 0.000 0.938 364 K CB -0.283 31.993 32.500 -0.373 0.000 0.718 364 K HN 0.210 nan 8.250 nan 0.000 0.442 365 L N 0.714 121.860 121.223 -0.129 0.000 2.044 365 L HA -0.161 4.179 4.340 -0.000 0.000 0.205 365 L C 2.530 179.360 176.870 -0.067 0.000 1.075 365 L CA 1.172 55.959 54.840 -0.088 0.000 0.747 365 L CB -0.462 41.553 42.059 -0.073 0.000 0.903 365 L HN 0.177 nan 8.230 nan 0.000 0.435 366 Q N -0.045 119.717 119.800 -0.063 0.000 2.181 366 Q HA -0.237 4.103 4.340 -0.000 0.000 0.205 366 Q C 2.094 178.068 176.000 -0.042 0.000 0.980 366 Q CA 1.416 57.191 55.803 -0.045 0.000 0.862 366 Q CB -0.075 28.639 28.738 -0.040 0.000 0.905 366 Q HN 0.498 nan 8.270 nan 0.000 0.429 367 E N 0.221 120.389 120.200 -0.054 0.000 2.118 367 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 367 E C 1.980 178.559 176.600 -0.035 0.000 0.992 367 E CA 0.789 57.162 56.400 -0.044 0.000 0.804 367 E CB 0.062 29.728 29.700 -0.058 0.000 0.741 367 E HN 0.272 nan 8.360 nan 0.000 0.458 368 R N 0.216 120.689 120.500 -0.045 0.000 2.119 368 R HA -0.068 4.272 4.340 -0.000 0.000 0.222 368 R C 2.607 178.890 176.300 -0.027 0.000 1.088 368 R CA 1.126 57.203 56.100 -0.039 0.000 0.984 368 R CB -0.146 30.123 30.300 -0.053 0.000 0.884 368 R HN 0.155 nan 8.270 nan 0.000 0.447 369 V N -1.382 118.515 119.914 -0.028 0.000 2.270 369 V HA -0.068 4.052 4.120 -0.000 0.000 0.245 369 V C 2.413 178.498 176.094 -0.015 0.000 1.043 369 V CA 1.609 63.896 62.300 -0.022 0.000 1.014 369 V CB -1.224 30.585 31.823 -0.023 0.000 0.645 369 V HN 0.193 nan 8.190 nan 0.000 0.447 370 A N 0.731 123.542 122.820 -0.015 0.000 1.903 370 A HA -0.293 4.027 4.320 -0.000 0.000 0.219 370 A C 2.349 179.930 177.584 -0.005 0.000 1.191 370 A CA 2.719 54.750 52.037 -0.010 0.000 0.638 370 A CB -0.753 18.241 19.000 -0.011 0.000 0.823 370 A HN 0.632 nan 8.150 nan 0.000 0.451 371 K N -1.213 119.186 120.400 -0.001 0.000 2.032 371 K HA -0.139 4.181 4.320 -0.000 0.000 0.209 371 K C 1.882 178.488 176.600 0.011 0.000 1.048 371 K CA 1.560 57.854 56.287 0.011 0.000 0.927 371 K CB -0.364 32.149 32.500 0.022 0.000 0.712 371 K HN 0.356 nan 8.250 nan 0.000 0.441 372 L N 0.388 121.613 121.223 0.003 0.000 2.022 372 L HA -0.073 4.267 4.340 -0.000 0.000 0.204 372 L C 2.422 179.292 176.870 -0.001 0.000 1.076 372 L CA 1.770 56.611 54.840 0.001 0.000 0.749 372 L CB -0.911 41.144 42.059 -0.006 0.000 0.903 372 L HN 0.114 nan 8.230 nan 0.000 0.439 373 A N -0.301 122.516 122.820 -0.005 0.000 1.908 373 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 373 A C 2.389 179.970 177.584 -0.005 0.000 1.181 373 A CA 1.894 53.928 52.037 -0.006 0.000 0.627 373 A CB -1.561 17.434 19.000 -0.008 0.000 0.818 373 A HN 0.467 nan 8.150 nan 0.000 0.445 374 G N -1.031 107.766 108.800 -0.004 0.000 2.476 374 G HA2 0.244 4.204 3.960 -0.000 0.000 0.218 374 G HA3 0.244 4.204 3.960 -0.000 0.000 0.218 374 G C 1.399 176.297 174.900 -0.003 0.000 1.164 374 G CA 1.344 46.441 45.100 -0.004 0.000 0.768 374 G HN 1.822 nan 8.290 nan 0.000 0.560 375 G N -1.876 106.924 108.800 0.000 0.000 2.598 375 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.244 375 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.244 375 G C -0.562 174.337 174.900 -0.001 0.000 1.302 375 G CA -0.108 44.993 45.100 0.001 0.000 0.903 375 G HN 1.175 nan 8.290 nan 0.000 0.575 376 V N 0.810 120.722 119.914 -0.003 0.000 2.488 376 V HA 0.663 4.783 4.120 -0.000 0.000 0.293 376 V C 0.718 176.806 176.094 -0.010 0.000 1.027 376 V CA 0.052 62.348 62.300 -0.007 0.000 0.862 376 V CB 1.111 32.929 31.823 -0.007 0.000 1.008 376 V HN 2.077 nan 8.190 nan 0.000 0.428 377 A N 5.317 128.130 122.820 -0.012 0.000 2.454 377 A HA 0.590 4.910 4.320 -0.000 0.000 0.260 377 A C -0.244 177.332 177.584 -0.012 0.000 1.106 377 A CA -0.020 52.010 52.037 -0.012 0.000 0.780 377 A CB 0.356 19.349 19.000 -0.013 0.000 1.044 377 A HN 0.747 nan 8.150 nan 0.000 0.498 378 V N 5.400 125.308 119.914 -0.010 0.000 2.334 378 V HA 0.256 4.376 4.120 -0.000 0.000 0.281 378 V C 0.014 176.104 176.094 -0.008 0.000 1.016 378 V CA -0.139 62.156 62.300 -0.009 0.000 0.832 378 V CB 0.896 32.714 31.823 -0.009 0.000 0.999 378 V HN 0.720 nan 8.190 nan 0.000 0.439 379 I N 5.295 125.861 120.570 -0.007 0.000 2.342 379 I HA 0.389 4.559 4.170 -0.000 0.000 0.291 379 I C 0.225 176.340 176.117 -0.004 0.000 1.010 379 I CA -0.277 61.020 61.300 -0.005 0.000 1.308 379 I CB 0.879 38.877 38.000 -0.004 0.000 1.400 379 I HN 0.476 nan 8.210 nan 0.000 0.488 380 K N 6.020 126.418 120.400 -0.004 0.000 2.425 380 K HA 0.482 4.802 4.320 -0.000 0.000 0.259 380 K C -1.131 175.467 176.600 -0.003 0.000 0.978 380 K CA -0.666 55.619 56.287 -0.003 0.000 0.883 380 K CB 2.266 34.763 32.500 -0.004 0.000 1.110 380 K HN 0.313 nan 8.250 nan 0.000 0.436 381 V N 2.302 122.215 119.914 -0.002 0.000 2.385 381 V HA 0.345 4.465 4.120 -0.000 0.000 0.269 381 V C 0.615 176.708 176.094 -0.002 0.000 1.043 381 V CA -0.683 61.616 62.300 -0.001 0.000 0.906 381 V CB 1.125 32.948 31.823 -0.000 0.000 0.995 381 V HN 0.885 nan 8.190 nan 0.000 0.467 382 G N 2.892 111.691 108.800 -0.002 0.000 2.417 382 G HA2 0.613 4.573 3.960 -0.000 0.000 0.320 382 G HA3 0.613 4.573 3.960 -0.000 0.000 0.320 382 G C 0.199 175.097 174.900 -0.002 0.000 1.204 382 G CA 0.151 45.249 45.100 -0.002 0.000 0.923 382 G HN 0.995 nan 8.290 nan 0.000 0.466 383 A N 1.455 124.274 122.820 -0.002 0.000 2.653 383 A HA 0.784 5.104 4.320 -0.000 0.000 0.248 383 A C 0.957 178.540 177.584 -0.002 0.000 1.211 383 A CA 1.018 53.053 52.037 -0.002 0.000 0.991 383 A CB -0.275 18.724 19.000 -0.002 0.000 1.252 383 A HN 2.702 nan 8.150 nan 0.000 0.593 384 A N 0.056 122.875 122.820 -0.002 0.000 2.406 384 A HA 0.471 4.791 4.320 -0.000 0.000 0.675 384 A C 0.779 178.362 177.584 -0.002 0.000 0.167 384 A CA 0.794 52.830 52.037 -0.002 0.000 0.098 384 A CB -2.392 16.607 19.000 -0.002 0.000 3.910 384 A HN 3.125 nan 8.150 nan 0.000 0.539 385 T N -0.470 114.082 114.554 -0.002 0.000 0.544 385 T HA -0.122 4.228 4.350 -0.000 0.000 0.774 385 T C 0.331 175.029 174.700 -0.002 0.000 0.992 385 T CA 1.514 63.612 62.100 -0.002 0.000 4.075 385 T CB -1.023 67.844 68.868 -0.002 0.000 2.302 385 T HN 2.032 nan 8.240 nan 0.000 0.398 386 E N 1.070 121.269 120.200 -0.002 0.000 2.267 386 E HA -0.090 4.260 4.350 -0.000 0.000 0.197 386 E C 1.947 178.546 176.600 -0.002 0.000 0.998 386 E CA 1.675 58.074 56.400 -0.002 0.000 0.830 386 E CB -0.064 29.634 29.700 -0.003 0.000 0.751 386 E HN 0.685 nan 8.360 nan 0.000 0.491 387 V N 0.738 120.650 119.914 -0.002 0.000 2.871 387 V HA -0.145 3.975 4.120 -0.000 0.000 0.256 387 V C 1.648 177.741 176.094 -0.002 0.000 1.082 387 V CA 1.539 63.838 62.300 -0.002 0.000 1.105 387 V CB -0.247 31.574 31.823 -0.002 0.000 0.713 387 V HN 0.221 nan 8.190 nan 0.000 0.473 388 E N -0.921 119.277 120.200 -0.002 0.000 2.415 388 E HA 0.057 4.407 4.350 -0.000 0.000 0.197 388 E C 2.025 178.624 176.600 -0.002 0.000 1.007 388 E CA 0.036 56.435 56.400 -0.002 0.000 0.890 388 E CB 0.090 29.788 29.700 -0.002 0.000 0.891 388 E HN 0.419 nan 8.360 nan 0.000 0.496 389 M N 1.179 120.778 119.600 -0.002 0.000 2.073 389 M HA -0.113 4.367 4.480 -0.000 0.000 0.259 389 M C 1.796 178.095 176.300 -0.001 0.000 1.079 389 M CA 1.477 56.776 55.300 -0.002 0.000 1.131 389 M CB -0.064 32.535 32.600 -0.002 0.000 1.316 389 M HN -0.134 nan 8.290 nan 0.000 0.415 390 K N 0.266 120.665 120.400 -0.001 0.000 2.147 390 K HA -0.177 4.143 4.320 -0.000 0.000 0.205 390 K C 1.881 178.480 176.600 -0.001 0.000 1.049 390 K CA 1.050 57.337 56.287 -0.001 0.000 0.936 390 K CB -0.503 31.997 32.500 -0.001 0.000 0.722 390 K HN 0.488 nan 8.250 nan 0.000 0.446 391 E N 1.419 121.618 120.200 -0.001 0.000 2.047 391 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 391 E C 1.900 178.500 176.600 -0.001 0.000 0.987 391 E CA 1.213 57.611 56.400 -0.002 0.000 0.799 391 E CB 0.133 29.832 29.700 -0.002 0.000 0.752 391 E HN 0.163 nan 8.360 nan 0.000 0.449 392 K N 0.761 121.161 120.400 -0.001 0.000 2.217 392 K HA -0.119 4.201 4.320 -0.000 0.000 0.202 392 K C 2.292 178.893 176.600 0.002 0.000 1.051 392 K CA 0.986 57.273 56.287 0.000 0.000 0.952 392 K CB 0.014 32.514 32.500 -0.001 0.000 0.736 392 K HN -0.060 nan 8.250 nan 0.000 0.453 393 K N 0.448 120.849 120.400 0.002 0.000 2.002 393 K HA -0.136 4.184 4.320 -0.000 0.000 0.209 393 K C 1.978 178.582 176.600 0.006 0.000 1.048 393 K CA 1.421 57.710 56.287 0.004 0.000 0.930 393 K CB -0.250 32.252 32.500 0.003 0.000 0.714 393 K HN 0.123 nan 8.250 nan 0.000 0.438 394 A N 1.721 124.543 122.820 0.004 0.000 1.940 394 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 394 A C 2.113 179.700 177.584 0.006 0.000 1.176 394 A CA 1.500 53.540 52.037 0.004 0.000 0.631 394 A CB -0.543 18.457 19.000 -0.000 0.000 0.814 394 A HN 0.379 nan 8.150 nan 0.000 0.446 395 R N -0.878 119.624 120.500 0.004 0.000 2.237 395 R HA -0.016 4.324 4.340 -0.000 0.000 0.219 395 R C 1.679 177.985 176.300 0.010 0.000 1.080 395 R CA 1.126 57.229 56.100 0.005 0.000 0.995 395 R CB -0.204 30.097 30.300 0.002 0.000 0.875 395 R HN 0.459 nan 8.270 nan 0.000 0.462 396 V N 0.206 120.127 119.914 0.012 0.000 2.575 396 V HA -0.095 4.025 4.120 -0.000 0.000 0.242 396 V C 1.794 177.905 176.094 0.028 0.000 1.045 396 V CA 1.212 63.521 62.300 0.015 0.000 1.065 396 V CB -0.072 31.757 31.823 0.010 0.000 0.717 396 V HN 0.253 nan 8.190 nan 0.000 0.467 397 E N 0.232 120.452 120.200 0.033 0.000 2.110 397 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 397 E C 1.796 178.450 176.600 0.090 0.000 0.988 397 E CA 1.542 57.977 56.400 0.059 0.000 0.804 397 E CB -0.077 29.651 29.700 0.045 0.000 0.745 397 E HN 0.597 nan 8.360 nan 0.000 0.458 398 D N 0.364 120.796 120.400 0.053 0.000 2.085 398 D HA -0.075 4.565 4.640 -0.000 0.000 0.199 398 D C 2.005 178.347 176.300 0.070 0.000 0.981 398 D CA 1.212 55.242 54.000 0.051 0.000 0.834 398 D CB -0.324 40.484 40.800 0.013 0.000 0.992 398 D HN 0.113 nan 8.370 nan 0.000 0.457 399 A N 1.059 123.905 122.820 0.043 0.000 1.917 399 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 399 A C 2.193 179.800 177.584 0.038 0.000 1.182 399 A CA 1.217 53.274 52.037 0.033 0.000 0.633 399 A CB -0.753 18.258 19.000 0.019 0.000 0.819 399 A HN 0.218 nan 8.150 nan 0.000 0.448 400 L N -1.218 120.030 121.223 0.042 0.000 2.027 400 L HA -0.144 4.196 4.340 -0.000 0.000 0.206 400 L C 2.416 179.297 176.870 0.019 0.000 1.074 400 L CA 2.341 57.193 54.840 0.021 0.000 0.745 400 L CB -0.793 41.274 42.059 0.013 0.000 0.898 400 L HN 0.559 nan 8.230 nan 0.000 0.433 401 H N -0.538 118.528 119.070 -0.006 0.000 2.352 401 H HA -0.112 4.444 4.556 -0.000 0.000 0.299 401 H C 2.011 177.338 175.328 -0.002 0.000 1.097 401 H CA 1.613 57.658 56.048 -0.005 0.000 1.311 401 H CB 0.093 29.851 29.762 -0.006 0.000 1.377 401 H HN 0.480 nan 8.280 nan 0.000 0.504 402 A N -0.135 122.770 122.820 0.142 0.000 1.858 402 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 402 A C 2.564 180.175 177.584 0.045 0.000 1.190 402 A CA 2.220 54.307 52.037 0.083 0.000 0.617 402 A CB -0.937 18.095 19.000 0.054 0.000 0.827 402 A HN 0.467 nan 8.150 nan 0.000 0.443 403 T N -0.599 113.971 114.554 0.027 0.000 3.072 403 T HA -0.038 4.312 4.350 -0.000 0.000 0.266 403 T C 1.977 176.675 174.700 -0.004 0.000 1.127 403 T CA 0.720 62.825 62.100 0.010 0.000 1.107 403 T CB -0.174 68.697 68.868 0.005 0.000 0.910 403 T HN 0.245 nan 8.240 nan 0.000 0.513 404 R N 1.862 122.351 120.500 -0.018 0.000 2.083 404 R HA 0.079 4.419 4.340 -0.000 0.000 0.237 404 R C 2.507 178.796 176.300 -0.018 0.000 1.137 404 R CA 1.765 57.838 56.100 -0.044 0.000 0.951 404 R CB -0.987 29.244 30.300 -0.116 0.000 0.851 404 R HN 0.449 nan 8.270 nan 0.000 0.434 405 A N -0.196 122.628 122.820 0.007 0.000 2.067 405 A HA 0.129 4.449 4.320 -0.000 0.000 0.217 405 A C 2.169 179.763 177.584 0.018 0.000 1.156 405 A CA 1.205 53.254 52.037 0.021 0.000 0.683 405 A CB -0.282 18.745 19.000 0.046 0.000 0.808 405 A HN 0.359 nan 8.150 nan 0.000 0.455 406 A N -0.549 122.280 122.820 0.015 0.000 1.968 406 A HA 0.099 4.419 4.320 -0.000 0.000 0.217 406 A C 1.963 179.552 177.584 0.007 0.000 1.169 406 A CA 1.572 53.617 52.037 0.012 0.000 0.638 406 A CB -0.464 18.543 19.000 0.012 0.000 0.812 406 A HN 0.343 nan 8.150 nan 0.000 0.446 407 V N -0.120 119.795 119.914 0.003 0.000 3.129 407 V HA -0.100 4.020 4.120 -0.000 0.000 0.259 407 V C 2.078 178.172 176.094 0.001 0.000 1.116 407 V CA 1.610 63.910 62.300 -0.000 0.000 1.127 407 V CB -0.460 31.360 31.823 -0.006 0.000 0.742 407 V HN 0.602 nan 8.190 nan 0.000 0.474 408 E N -0.060 120.142 120.200 0.002 0.000 2.166 408 E HA -0.009 4.341 4.350 -0.000 0.000 0.192 408 E C 1.482 178.088 176.600 0.009 0.000 0.967 408 E CA 0.716 57.119 56.400 0.004 0.000 0.840 408 E CB 0.223 29.926 29.700 0.005 0.000 0.795 408 E HN 0.609 nan 8.360 nan 0.000 0.470 409 E N -0.203 120.004 120.200 0.011 0.000 2.641 409 E HA 0.195 4.545 4.350 -0.000 0.000 0.224 409 E C 0.522 177.130 176.600 0.012 0.000 0.951 409 E CA 0.210 56.617 56.400 0.013 0.000 1.102 409 E CB 1.714 31.423 29.700 0.016 0.000 1.091 409 E HN 0.197 nan 8.360 nan 0.000 0.507 410 G N 1.498 110.305 108.800 0.011 0.000 2.632 410 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.224 410 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.224 410 G C -0.337 174.571 174.900 0.014 0.000 1.341 410 G CA -0.367 44.740 45.100 0.011 0.000 0.880 410 G HN 0.414 nan 8.290 nan 0.000 0.566 411 V N -2.605 117.317 119.914 0.013 0.000 2.808 411 V HA 0.878 4.998 4.120 -0.000 0.000 0.308 411 V C 0.600 176.703 176.094 0.015 0.000 1.099 411 V CA -0.067 62.241 62.300 0.014 0.000 0.920 411 V CB 0.863 32.693 31.823 0.011 0.000 1.014 411 V HN 2.266 nan 8.190 nan 0.000 0.425 412 V N 0.674 120.598 119.914 0.016 0.000 3.204 412 V HA 1.039 5.159 4.120 -0.000 0.000 0.316 412 V C 0.712 176.815 176.094 0.014 0.000 1.160 412 V CA -0.563 61.747 62.300 0.017 0.000 1.044 412 V CB 1.510 33.345 31.823 0.020 0.000 1.136 412 V HN 1.789 nan 8.190 nan 0.000 0.455 413 A N 0.460 123.289 122.820 0.016 0.000 2.477 413 A HA 0.656 4.976 4.320 -0.000 0.000 0.246 413 A C 0.730 178.316 177.584 0.004 0.000 1.078 413 A CA 0.471 52.513 52.037 0.009 0.000 0.770 413 A CB -0.480 18.527 19.000 0.013 0.000 1.011 413 A HN 1.811 nan 8.150 nan 0.000 0.494 414 G N 0.050 108.846 108.800 -0.007 0.000 2.543 414 G HA2 0.536 4.496 3.960 -0.000 0.000 0.290 414 G HA3 0.536 4.496 3.960 -0.000 0.000 0.290 414 G C 1.049 175.942 174.900 -0.011 0.000 1.310 414 G CA -0.029 45.066 45.100 -0.008 0.000 1.025 414 G HN 2.240 nan 8.290 nan 0.000 0.502 415 G N -1.960 106.835 108.800 -0.009 0.000 2.198 415 G HA2 0.195 4.155 3.960 -0.000 0.000 0.260 415 G HA3 0.195 4.155 3.960 -0.000 0.000 0.260 415 G C 1.488 176.394 174.900 0.011 0.000 1.025 415 G CA 1.056 46.155 45.100 -0.001 0.000 0.769 415 G HN 2.482 nan 8.290 nan 0.000 0.507 416 G N -1.873 106.934 108.800 0.011 0.000 2.212 416 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.267 416 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.267 416 G C 1.832 176.743 174.900 0.020 0.000 1.002 416 G CA 2.069 47.178 45.100 0.016 0.000 0.729 416 G HN 2.295 nan 8.290 nan 0.000 0.517 417 V N -2.967 116.958 119.914 0.019 0.000 3.078 417 V HA 0.350 4.470 4.120 -0.000 0.000 0.265 417 V C 2.580 178.693 176.094 0.032 0.000 1.122 417 V CA 1.848 64.164 62.300 0.025 0.000 1.141 417 V CB -0.561 31.270 31.823 0.014 0.000 0.735 417 V HN 1.198 nan 8.190 nan 0.000 0.498 418 A N 0.872 123.708 122.820 0.026 0.000 1.897 418 A HA 0.082 4.402 4.320 -0.000 0.000 0.215 418 A C 2.160 179.761 177.584 0.029 0.000 1.181 418 A CA 1.852 53.906 52.037 0.028 0.000 0.620 418 A CB -0.498 18.515 19.000 0.023 0.000 0.821 418 A HN 0.570 nan 8.150 nan 0.000 0.443 419 L N -0.845 120.394 121.223 0.026 0.000 2.072 419 L HA -0.044 4.296 4.340 -0.000 0.000 0.205 419 L C 2.446 179.332 176.870 0.028 0.000 1.079 419 L CA 1.107 55.962 54.840 0.025 0.000 0.752 419 L CB -0.369 41.704 42.059 0.023 0.000 0.906 419 L HN 0.394 nan 8.230 nan 0.000 0.436 420 I N -0.213 120.375 120.570 0.031 0.000 2.614 420 I HA -0.263 3.907 4.170 -0.000 0.000 0.258 420 I C 2.681 178.824 176.117 0.044 0.000 1.189 420 I CA 0.777 62.099 61.300 0.036 0.000 1.462 420 I CB 0.062 38.085 38.000 0.040 0.000 1.092 420 I HN 0.207 nan 8.210 nan 0.000 0.442 421 R N 0.004 120.532 120.500 0.047 0.000 2.100 421 R HA -0.018 4.322 4.340 -0.000 0.000 0.220 421 R C 1.888 178.213 176.300 0.042 0.000 1.091 421 R CA 1.313 57.445 56.100 0.055 0.000 0.986 421 R CB -0.616 29.721 30.300 0.063 0.000 0.888 421 R HN 0.163 nan 8.270 nan 0.000 0.444 422 V N 0.976 120.910 119.914 0.034 0.000 2.270 422 V HA -0.157 3.963 4.120 -0.000 0.000 0.245 422 V C 2.326 178.434 176.094 0.023 0.000 1.043 422 V CA 1.899 64.215 62.300 0.026 0.000 1.014 422 V CB -0.968 30.869 31.823 0.022 0.000 0.645 422 V HN 0.492 nan 8.190 nan 0.000 0.447 423 A N 0.901 123.736 122.820 0.023 0.000 1.884 423 A HA -0.315 4.005 4.320 -0.000 0.000 0.219 423 A C 2.584 180.181 177.584 0.022 0.000 1.197 423 A CA 3.019 55.069 52.037 0.021 0.000 0.637 423 A CB -1.136 17.877 19.000 0.021 0.000 0.827 423 A HN 0.727 nan 8.150 nan 0.000 0.450 424 S N -0.328 115.388 115.700 0.027 0.000 2.419 424 S HA -0.154 4.316 4.470 -0.000 0.000 0.235 424 S C 1.514 176.127 174.600 0.022 0.000 1.019 424 S CA 1.619 59.835 58.200 0.027 0.000 0.982 424 S CB -0.388 62.834 63.200 0.036 0.000 0.789 424 S HN 0.596 nan 8.310 nan 0.000 0.490 425 K N 0.466 120.879 120.400 0.022 0.000 2.476 425 K HA 0.329 4.649 4.320 -0.000 0.000 0.196 425 K C 0.219 176.827 176.600 0.014 0.000 1.025 425 K CA 0.113 56.410 56.287 0.018 0.000 1.138 425 K CB -0.040 32.472 32.500 0.019 0.000 0.860 425 K HN 0.436 nan 8.250 nan 0.000 0.515 426 L N -0.522 120.709 121.223 0.013 0.000 3.267 426 L HA 0.253 4.593 4.340 -0.000 0.000 0.289 426 L C 1.413 178.288 176.870 0.009 0.000 1.260 426 L CA -0.175 54.672 54.840 0.010 0.000 1.034 426 L CB 0.651 42.716 42.059 0.010 0.000 1.413 426 L HN 0.028 nan 8.230 nan 0.000 0.594 427 A N -0.304 122.522 122.820 0.010 0.000 2.019 427 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 427 A C 1.595 179.183 177.584 0.007 0.000 1.164 427 A CA 1.603 53.645 52.037 0.009 0.000 0.644 427 A CB -0.135 18.871 19.000 0.009 0.000 0.805 427 A HN 0.329 nan 8.150 nan 0.000 0.449 428 D N -1.072 119.332 120.400 0.006 0.000 2.339 428 D HA 0.127 4.767 4.640 -0.000 0.000 0.217 428 D C 0.047 176.349 176.300 0.004 0.000 1.050 428 D CA -0.094 53.908 54.000 0.005 0.000 0.856 428 D CB -0.021 40.782 40.800 0.004 0.000 0.922 428 D HN 0.318 nan 8.370 nan 0.000 0.518 429 L N 2.249 123.475 121.223 0.005 0.000 2.433 429 L HA 0.095 4.434 4.340 -0.000 0.000 0.275 429 L C 0.058 176.931 176.870 0.004 0.000 1.128 429 L CA 0.371 55.213 54.840 0.004 0.000 0.875 429 L CB 0.062 42.123 42.059 0.005 0.000 1.171 429 L HN -0.272 nan 8.230 nan 0.000 0.463 430 R N 3.399 123.901 120.500 0.003 0.000 2.832 430 R HA 0.671 5.011 4.340 -0.000 0.000 0.271 430 R C 0.156 176.458 176.300 0.003 0.000 0.996 430 R CA -0.251 55.851 56.100 0.003 0.000 0.977 430 R CB 1.456 31.757 30.300 0.003 0.000 1.168 430 R HN 0.775 nan 8.270 nan 0.000 0.482 431 G N -0.052 108.750 108.800 0.003 0.000 2.945 431 G HA2 0.129 4.089 3.960 -0.000 0.000 0.156 431 G HA3 0.129 4.089 3.960 -0.000 0.000 0.156 431 G C 0.262 175.163 174.900 0.002 0.000 1.375 431 G CA -0.056 45.046 45.100 0.002 0.000 1.039 431 G HN 0.445 nan 8.290 nan 0.000 0.586 432 Q N -0.540 119.262 119.800 0.002 0.000 2.200 432 Q HA 0.119 4.459 4.340 -0.000 0.000 0.197 432 Q C 0.279 176.280 176.000 0.002 0.000 0.953 432 Q CA 0.827 56.631 55.803 0.002 0.000 0.851 432 Q CB 0.169 28.908 28.738 0.002 0.000 0.938 432 Q HN 0.643 nan 8.270 nan 0.000 0.488 433 N N -1.263 117.438 118.700 0.003 0.000 2.577 433 N HA 0.151 4.891 4.740 -0.000 0.000 0.285 433 N C -0.100 175.412 175.510 0.003 0.000 1.309 433 N CA -0.613 52.439 53.050 0.003 0.000 0.798 433 N CB 0.712 39.201 38.487 0.003 0.000 1.463 433 N HN -0.322 nan 8.380 nan 0.000 0.518 434 K N -0.563 119.839 120.400 0.003 0.000 2.283 434 K HA -0.001 4.319 4.320 -0.000 0.000 0.202 434 K C 0.266 176.868 176.600 0.004 0.000 1.048 434 K CA 1.390 57.679 56.287 0.003 0.000 0.948 434 K CB -0.432 32.070 32.500 0.003 0.000 0.742 434 K HN 0.591 nan 8.250 nan 0.000 0.458 435 D N 0.147 120.549 120.400 0.004 0.000 2.149 435 D HA -0.094 4.546 4.640 -0.000 0.000 0.201 435 D C 1.768 178.071 176.300 0.005 0.000 0.972 435 D CA 0.896 54.898 54.000 0.005 0.000 0.835 435 D CB 0.033 40.836 40.800 0.005 0.000 0.966 435 D HN 0.342 nan 8.370 nan 0.000 0.476 436 Q N 0.246 120.048 119.800 0.004 0.000 2.050 436 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 436 Q C 1.801 177.804 176.000 0.004 0.000 0.980 436 Q CA 0.966 56.772 55.803 0.004 0.000 0.840 436 Q CB -0.126 28.615 28.738 0.004 0.000 0.898 436 Q HN 0.217 nan 8.270 nan 0.000 0.424 437 N N 0.186 118.889 118.700 0.004 0.000 2.094 437 N HA -0.148 4.592 4.740 -0.000 0.000 0.191 437 N C 1.823 177.336 175.510 0.005 0.000 1.023 437 N CA 1.223 54.276 53.050 0.004 0.000 0.857 437 N CB -0.494 37.995 38.487 0.004 0.000 1.013 437 N HN 0.047 nan 8.380 nan 0.000 0.426 438 V N 0.403 120.320 119.914 0.005 0.000 2.343 438 V HA -0.141 3.979 4.120 -0.000 0.000 0.247 438 V C 2.428 178.525 176.094 0.006 0.000 1.051 438 V CA 2.006 64.309 62.300 0.005 0.000 1.036 438 V CB -1.353 30.473 31.823 0.005 0.000 0.654 438 V HN 0.371 nan 8.190 nan 0.000 0.451 439 G N 0.164 108.967 108.800 0.006 0.000 2.440 439 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.218 439 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.218 439 G C 1.572 176.476 174.900 0.006 0.000 1.154 439 G CA 1.185 46.289 45.100 0.006 0.000 0.767 439 G HN 0.493 nan 8.290 nan 0.000 0.552 440 I N 0.306 120.880 120.570 0.006 0.000 2.127 440 I HA -0.164 4.006 4.170 -0.000 0.000 0.241 440 I C 2.780 178.901 176.117 0.007 0.000 1.075 440 I CA 1.110 62.414 61.300 0.006 0.000 1.334 440 I CB -0.184 37.819 38.000 0.005 0.000 1.040 440 I HN -0.005 nan 8.210 nan 0.000 0.405 441 K N 0.670 121.074 120.400 0.007 0.000 2.103 441 K HA -0.124 4.196 4.320 -0.000 0.000 0.207 441 K C 2.145 178.750 176.600 0.008 0.000 1.048 441 K CA 1.121 57.413 56.287 0.007 0.000 0.930 441 K CB -0.714 31.790 32.500 0.006 0.000 0.716 441 K HN 0.228 nan 8.250 nan 0.000 0.444 442 V N 1.522 121.440 119.914 0.008 0.000 2.343 442 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 442 V C 2.471 178.571 176.094 0.010 0.000 1.051 442 V CA 1.925 64.230 62.300 0.009 0.000 1.036 442 V CB -0.803 31.025 31.823 0.009 0.000 0.654 442 V HN 0.296 nan 8.190 nan 0.000 0.451 443 A N -0.299 122.526 122.820 0.009 0.000 1.940 443 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 443 A C 2.163 179.753 177.584 0.011 0.000 1.176 443 A CA 1.854 53.897 52.037 0.010 0.000 0.631 443 A CB -0.446 18.559 19.000 0.008 0.000 0.814 443 A HN 0.545 nan 8.150 nan 0.000 0.446 444 L N -1.802 119.428 121.223 0.011 0.000 2.209 444 L HA 0.013 4.353 4.340 -0.000 0.000 0.207 444 L C 2.714 179.592 176.870 0.013 0.000 1.094 444 L CA 0.618 55.465 54.840 0.012 0.000 0.790 444 L CB -0.335 41.731 42.059 0.012 0.000 0.932 444 L HN 0.266 nan 8.230 nan 0.000 0.447 445 R N 0.286 120.793 120.500 0.011 0.000 2.090 445 R HA -0.023 4.317 4.340 -0.000 0.000 0.228 445 R C 2.475 178.782 176.300 0.012 0.000 1.110 445 R CA 1.122 57.228 56.100 0.011 0.000 0.973 445 R CB -0.394 29.911 30.300 0.009 0.000 0.869 445 R HN 0.302 nan 8.270 nan 0.000 0.440 446 A N 1.122 123.949 122.820 0.012 0.000 1.940 446 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 446 A C 2.019 179.611 177.584 0.014 0.000 1.176 446 A CA 1.384 53.429 52.037 0.013 0.000 0.631 446 A CB -0.416 18.593 19.000 0.014 0.000 0.814 446 A HN 0.211 nan 8.150 nan 0.000 0.446 447 M N -0.435 119.174 119.600 0.015 0.000 2.686 447 M HA -0.061 4.419 4.480 -0.000 0.000 0.246 447 M C 1.343 177.654 176.300 0.018 0.000 1.096 447 M CA 0.770 56.081 55.300 0.017 0.000 1.076 447 M CB -0.154 32.457 32.600 0.018 0.000 1.504 447 M HN 0.494 nan 8.290 nan 0.000 0.524 448 E N 0.367 120.576 120.200 0.016 0.000 2.250 448 E HA 0.021 4.371 4.350 -0.000 0.000 0.192 448 E C 2.201 178.807 176.600 0.011 0.000 0.986 448 E CA 0.667 57.076 56.400 0.015 0.000 0.849 448 E CB -0.007 29.701 29.700 0.013 0.000 0.797 448 E HN 0.497 nan 8.360 nan 0.000 0.482 449 A N 2.596 125.422 122.820 0.010 0.000 1.892 449 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 449 A C -0.318 177.271 177.584 0.009 0.000 1.188 449 A CA 1.501 53.543 52.037 0.008 0.000 0.631 449 A CB -1.562 17.444 19.000 0.010 0.000 0.822 449 A HN 0.122 nan 8.150 nan 0.000 0.447 450 P HA -0.217 nan 4.420 nan 0.000 0.213 450 P C 1.873 179.180 177.300 0.011 0.000 1.176 450 P CA 1.318 64.425 63.100 0.012 0.000 0.919 450 P CB -0.220 31.489 31.700 0.015 0.000 0.791 451 L N -0.725 120.506 121.223 0.013 0.000 1.978 451 L HA -0.271 4.069 4.340 -0.000 0.000 0.218 451 L C 2.552 179.423 176.870 0.002 0.000 1.075 451 L CA 1.959 56.806 54.840 0.013 0.000 0.767 451 L CB -0.451 41.616 42.059 0.013 0.000 0.890 451 L HN -0.171 nan 8.230 nan 0.000 0.434 452 R N -0.867 119.631 120.500 -0.004 0.000 2.117 452 R HA -0.266 4.074 4.340 -0.000 0.000 0.243 452 R C 2.314 178.609 176.300 -0.008 0.000 1.143 452 R CA 1.931 58.023 56.100 -0.013 0.000 0.968 452 R CB -0.312 29.983 30.300 -0.008 0.000 0.863 452 R HN 0.460 nan 8.270 nan 0.000 0.444 453 Q N 0.733 120.533 119.800 0.000 0.000 2.187 453 Q HA -0.014 4.326 4.340 -0.000 0.000 0.199 453 Q C 1.714 177.717 176.000 0.006 0.000 0.957 453 Q CA 1.300 57.104 55.803 0.002 0.000 0.857 453 Q CB 0.109 28.850 28.738 0.004 0.000 0.929 453 Q HN 0.377 nan 8.270 nan 0.000 0.453 454 I N -0.813 119.763 120.570 0.011 0.000 2.617 454 I HA -0.133 4.037 4.170 -0.000 0.000 0.256 454 I C 1.680 177.816 176.117 0.032 0.000 1.167 454 I CA 0.397 61.710 61.300 0.022 0.000 1.469 454 I CB -0.044 37.974 38.000 0.029 0.000 1.098 454 I HN -0.017 nan 8.210 nan 0.000 0.436 455 V N 0.746 120.670 119.914 0.016 0.000 2.809 455 V HA -0.178 3.942 4.120 -0.000 0.000 0.256 455 V C 2.248 178.335 176.094 -0.011 0.000 1.080 455 V CA 1.119 63.413 62.300 -0.009 0.000 1.102 455 V CB -0.243 31.526 31.823 -0.091 0.000 0.705 455 V HN 0.341 nan 8.190 nan 0.000 0.475 456 L N 0.731 121.950 121.223 -0.006 0.000 2.131 456 L HA 0.028 4.368 4.340 -0.000 0.000 0.206 456 L C 2.079 178.951 176.870 0.004 0.000 1.087 456 L CA 1.642 56.480 54.840 -0.004 0.000 0.767 456 L CB -0.628 41.429 42.059 -0.004 0.000 0.917 456 L HN 0.289 nan 8.230 nan 0.000 0.441 457 N N -1.456 117.250 118.700 0.009 0.000 2.453 457 N HA -0.120 4.620 4.740 -0.000 0.000 0.183 457 N C 1.584 177.104 175.510 0.017 0.000 1.041 457 N CA 1.295 54.352 53.050 0.011 0.000 0.900 457 N CB -0.608 37.885 38.487 0.010 0.000 0.961 457 N HN 0.384 nan 8.380 nan 0.000 0.443 458 C N -1.151 118.165 119.300 0.027 0.000 2.673 458 C HA 0.391 4.851 4.460 -0.000 0.000 0.264 458 C C 1.734 176.742 174.990 0.030 0.000 1.304 458 C CA 0.312 59.352 59.018 0.038 0.000 1.727 458 C CB -0.749 27.038 27.740 0.077 0.000 1.932 458 C HN 0.600 nan 8.230 nan 0.000 0.563 459 G N 0.893 109.704 108.800 0.019 0.000 2.159 459 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.227 459 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.227 459 G C -0.254 174.651 174.900 0.008 0.000 0.986 459 G CA 0.022 45.130 45.100 0.013 0.000 0.651 459 G HN 0.479 nan 8.290 nan 0.000 0.523 460 E N 0.571 120.772 120.200 0.001 0.000 2.254 460 E HA 0.449 4.799 4.350 -0.000 0.000 0.261 460 E C 0.099 176.675 176.600 -0.041 0.000 1.051 460 E CA -0.731 55.656 56.400 -0.021 0.000 0.902 460 E CB 0.720 30.389 29.700 -0.050 0.000 1.168 460 E HN 0.487 nan 8.360 nan 0.000 0.423 461 E N 2.066 122.238 120.200 -0.046 0.000 2.166 461 E HA 0.058 4.408 4.350 -0.000 0.000 0.279 461 E C -1.594 174.968 176.600 -0.064 0.000 1.095 461 E CA -1.567 54.808 56.400 -0.041 0.000 0.888 461 E CB 0.658 30.343 29.700 -0.026 0.000 1.041 461 E HN 0.158 nan 8.360 nan 0.000 0.414 462 P HA -0.239 nan 4.420 nan 0.000 0.215 462 P C 1.316 178.587 177.300 -0.047 0.000 1.157 462 P CA 1.326 64.391 63.100 -0.057 0.000 0.868 462 P CB 0.176 31.857 31.700 -0.032 0.000 0.788 463 S N -0.998 114.685 115.700 -0.029 0.000 2.402 463 S HA -0.087 4.383 4.470 -0.000 0.000 0.229 463 S C 1.990 176.582 174.600 -0.014 0.000 1.021 463 S CA 1.216 59.406 58.200 -0.016 0.000 0.974 463 S CB -1.754 61.441 63.200 -0.010 0.000 0.800 463 S HN -0.028 nan 8.310 nan 0.000 0.484 464 V N 1.360 121.262 119.914 -0.021 0.000 2.667 464 V HA -0.023 4.097 4.120 -0.000 0.000 0.252 464 V C 2.349 178.444 176.094 0.002 0.000 1.065 464 V CA 1.134 63.428 62.300 -0.011 0.000 1.083 464 V CB -0.506 31.311 31.823 -0.011 0.000 0.692 464 V HN 0.453 nan 8.190 nan 0.000 0.468 465 V N -0.258 119.638 119.914 -0.030 0.000 2.825 465 V HA 0.077 4.197 4.120 -0.000 0.000 0.246 465 V C 2.556 178.662 176.094 0.020 0.000 1.068 465 V CA 1.241 63.523 62.300 -0.031 0.000 1.088 465 V CB -0.214 31.422 31.823 -0.312 0.000 0.733 465 V HN 0.486 nan 8.190 nan 0.000 0.468 466 A N 0.934 123.751 122.820 -0.005 0.000 1.902 466 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 466 A C 2.049 179.664 177.584 0.052 0.000 1.181 466 A CA 2.344 54.394 52.037 0.022 0.000 0.623 466 A CB -0.773 18.232 19.000 0.007 0.000 0.818 466 A HN 0.576 nan 8.150 nan 0.000 0.443 467 N N -0.293 118.430 118.700 0.039 0.000 2.084 467 N HA -0.124 4.616 4.740 -0.000 0.000 0.190 467 N C 1.666 177.214 175.510 0.063 0.000 1.030 467 N CA 2.413 55.487 53.050 0.040 0.000 0.849 467 N CB -0.573 37.925 38.487 0.019 0.000 1.012 467 N HN 0.394 nan 8.380 nan 0.000 0.423 468 T N -0.187 114.414 114.554 0.078 0.000 2.746 468 T HA -0.058 4.292 4.350 -0.000 0.000 0.267 468 T C 1.993 176.841 174.700 0.247 0.000 1.039 468 T CA 1.247 63.398 62.100 0.085 0.000 1.142 468 T CB -0.414 68.438 68.868 -0.027 0.000 0.866 468 T HN 0.023 nan 8.240 nan 0.000 0.444 469 V N 1.584 121.670 119.914 0.286 0.000 2.261 469 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 469 V C 2.479 178.726 176.094 0.255 0.000 1.047 469 V CA 1.639 64.122 62.300 0.306 0.000 1.015 469 V CB -0.546 31.380 31.823 0.172 0.000 0.642 469 V HN 0.446 nan 8.190 nan 0.000 0.446 470 K N 0.264 120.754 120.400 0.150 0.000 2.113 470 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 470 K C 2.185 178.841 176.600 0.093 0.000 1.047 470 K CA 1.606 57.955 56.287 0.103 0.000 0.928 470 K CB -0.694 31.845 32.500 0.064 0.000 0.716 470 K HN 0.590 nan 8.250 nan 0.000 0.446 471 G N 0.880 109.733 108.800 0.088 0.000 2.422 471 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.218 471 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.218 471 G C 0.861 175.755 174.900 -0.011 0.000 1.140 471 G CA 0.714 45.832 45.100 0.030 0.000 0.775 471 G HN 0.408 nan 8.290 nan 0.000 0.545 472 G N -0.889 107.922 108.800 0.018 0.000 2.529 472 G HA2 0.425 4.385 3.960 -0.000 0.000 0.277 472 G HA3 0.425 4.385 3.960 -0.000 0.000 0.277 472 G C -0.764 174.121 174.900 -0.025 0.000 1.383 472 G CA -0.200 44.803 45.100 -0.161 0.000 1.050 472 G HN 0.185 nan 8.290 nan 0.000 0.526 473 D N -2.107 118.276 120.400 -0.028 0.000 2.602 473 D HA 0.514 5.154 4.640 -0.000 0.000 0.236 473 D C 0.670 177.018 176.300 0.080 0.000 1.209 473 D CA 0.823 54.840 54.000 0.028 0.000 0.831 473 D CB 2.081 42.875 40.800 -0.011 0.000 1.478 473 D HN 0.940 nan 8.370 nan 0.000 0.438 474 G N 1.755 110.600 108.800 0.075 0.000 2.509 474 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.259 474 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.259 474 G C 0.289 175.251 174.900 0.104 0.000 1.169 474 G CA 0.179 45.326 45.100 0.079 0.000 0.953 474 G HN 0.561 nan 8.290 nan 0.000 0.563 475 N N 0.060 118.824 118.700 0.106 0.000 2.322 475 N HA 0.300 5.040 4.740 -0.000 0.000 0.216 475 N C 0.064 175.652 175.510 0.130 0.000 1.144 475 N CA -0.081 53.025 53.050 0.095 0.000 0.830 475 N CB 0.117 38.642 38.487 0.062 0.000 1.034 475 N HN 0.496 nan 8.380 nan 0.000 0.484 476 Y N 0.995 121.325 120.300 0.050 0.000 2.605 476 Y HA 0.338 4.888 4.550 -0.000 0.000 0.336 476 Y C 0.820 176.777 175.900 0.095 0.000 1.111 476 Y CA 0.049 58.194 58.100 0.075 0.000 1.422 476 Y CB -0.107 38.400 38.460 0.078 0.000 1.193 476 Y HN 0.040 nan 8.280 nan 0.000 0.526 477 G N 4.309 112.911 108.800 -0.330 0.000 3.021 477 G HA2 0.299 4.259 3.960 -0.000 0.000 0.290 477 G HA3 0.299 4.259 3.960 -0.000 0.000 0.290 477 G C -2.356 172.369 174.900 -0.292 0.000 1.291 477 G CA -0.877 44.084 45.100 -0.232 0.000 0.834 477 G HN 0.532 nan 8.290 nan 0.000 0.564 478 Y N 1.213 121.308 120.300 -0.341 0.000 2.331 478 Y HA 0.551 5.101 4.550 -0.000 0.000 0.334 478 Y C -0.281 175.427 175.900 -0.320 0.000 0.960 478 Y CA -1.257 56.544 58.100 -0.498 0.000 1.130 478 Y CB 1.620 39.718 38.460 -0.604 0.000 1.164 478 Y HN 0.428 nan 8.280 nan 0.000 0.458 479 N N 4.643 122.861 118.700 -0.802 0.000 2.405 479 N HA 0.140 4.880 4.740 -0.000 0.000 0.260 479 N C 0.523 175.473 175.510 -0.933 0.000 1.152 479 N CA 0.773 53.436 53.050 -0.646 0.000 0.948 479 N CB 1.645 39.882 38.487 -0.416 0.000 1.111 479 N HN 0.969 nan 8.380 nan 0.000 0.485 480 A N 4.134 126.652 122.820 -0.503 0.000 1.930 480 A HA -0.018 4.301 4.320 -0.000 0.000 0.217 480 A C 2.016 179.478 177.584 -0.204 0.000 1.175 480 A CA 1.622 53.498 52.037 -0.268 0.000 0.627 480 A CB -0.485 18.485 19.000 -0.049 0.000 0.815 480 A HN 0.725 nan 8.150 nan 0.000 0.443 481 A N -0.323 122.382 122.820 -0.193 0.000 1.872 481 A HA -0.038 4.282 4.320 -0.000 0.000 0.214 481 A C 2.371 179.873 177.584 -0.136 0.000 1.187 481 A CA 2.285 54.247 52.037 -0.126 0.000 0.614 481 A CB -1.145 17.794 19.000 -0.101 0.000 0.826 481 A HN 0.723 nan 8.150 nan 0.000 0.442 482 T N -3.342 111.096 114.554 -0.192 0.000 3.081 482 T HA 0.172 4.522 4.350 -0.000 0.000 0.255 482 T C 0.357 174.942 174.700 -0.190 0.000 1.113 482 T CA 0.766 62.770 62.100 -0.161 0.000 1.082 482 T CB -0.307 68.475 68.868 -0.143 0.000 0.939 482 T HN 0.571 nan 8.240 nan 0.000 0.506 483 E N 1.065 121.056 120.200 -0.348 0.000 2.389 483 E HA -0.127 4.223 4.350 -0.000 0.000 0.243 483 E C -0.923 175.485 176.600 -0.320 0.000 1.154 483 E CA 0.388 56.573 56.400 -0.359 0.000 0.723 483 E CB -0.864 28.848 29.700 0.019 0.000 1.261 483 E HN 0.643 nan 8.360 nan 0.000 0.390 484 E N -0.078 119.811 120.200 -0.517 0.000 2.238 484 E HA 0.322 4.672 4.350 -0.000 0.000 0.267 484 E C -0.621 175.786 176.600 -0.322 0.000 0.887 484 E CA -0.683 55.573 56.400 -0.239 0.000 0.769 484 E CB 0.974 30.603 29.700 -0.118 0.000 1.187 484 E HN 0.070 nan 8.360 nan 0.000 0.416 485 Y N 0.359 120.642 120.300 -0.027 0.000 2.299 485 Y HA 0.552 5.102 4.550 -0.000 0.000 0.326 485 Y C 1.184 177.039 175.900 -0.076 0.000 1.164 485 Y CA 0.687 58.743 58.100 -0.074 0.000 1.234 485 Y CB 1.715 40.202 38.460 0.045 0.000 1.219 485 Y HN 0.685 nan 8.280 nan 0.000 0.497 486 G N 1.624 110.385 108.800 -0.065 0.000 2.341 486 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.293 486 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.293 486 G C -1.782 173.117 174.900 -0.002 0.000 1.298 486 G CA -1.277 43.857 45.100 0.057 0.000 0.868 486 G HN 0.484 nan 8.290 nan 0.000 0.540 487 N N 1.059 119.803 118.700 0.073 0.000 2.416 487 N HA 0.088 4.828 4.740 -0.000 0.000 0.265 487 N C 1.761 177.271 175.510 0.001 0.000 1.195 487 N CA -0.381 52.704 53.050 0.058 0.000 0.943 487 N CB 0.727 39.258 38.487 0.074 0.000 1.115 487 N HN 0.384 nan 8.380 nan 0.000 0.481 488 M N 3.458 123.047 119.600 -0.018 0.000 2.213 488 M HA -0.142 4.338 4.480 -0.000 0.000 0.263 488 M C 1.593 177.881 176.300 -0.021 0.000 1.062 488 M CA 0.878 56.155 55.300 -0.038 0.000 1.105 488 M CB -0.466 32.112 32.600 -0.037 0.000 1.385 488 M HN 0.534 nan 8.290 nan 0.000 0.417 489 I N 0.587 121.156 120.570 -0.002 0.000 2.113 489 I HA -0.259 3.911 4.170 -0.000 0.000 0.238 489 I C 1.891 178.007 176.117 -0.001 0.000 1.070 489 I CA 1.525 62.826 61.300 0.002 0.000 1.332 489 I CB -1.763 36.245 38.000 0.012 0.000 1.044 489 I HN 0.193 nan 8.210 nan 0.000 0.402 490 D N 0.667 121.070 120.400 0.005 0.000 2.149 490 D HA -0.221 4.419 4.640 -0.000 0.000 0.194 490 D C 2.269 178.565 176.300 -0.007 0.000 1.001 490 D CA 1.430 55.433 54.000 0.004 0.000 0.849 490 D CB -0.246 40.563 40.800 0.015 0.000 0.939 490 D HN 0.332 nan 8.370 nan 0.000 0.449 491 M N -1.596 117.992 119.600 -0.019 0.000 2.506 491 M HA 0.118 4.598 4.480 -0.000 0.000 0.260 491 M C 1.546 177.824 176.300 -0.038 0.000 1.104 491 M CA 1.002 56.280 55.300 -0.036 0.000 1.112 491 M CB 0.580 33.143 32.600 -0.062 0.000 1.401 491 M HN 0.259 nan 8.290 nan 0.000 0.473 492 G N 0.896 109.678 108.800 -0.029 0.000 2.339 492 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.209 492 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.209 492 G C 0.274 175.157 174.900 -0.027 0.000 1.015 492 G CA -0.545 44.540 45.100 -0.025 0.000 0.635 492 G HN 0.368 nan 8.290 nan 0.000 0.499 493 I N 2.719 123.265 120.570 -0.040 0.000 2.671 493 I HA 0.408 4.578 4.170 -0.000 0.000 0.285 493 I C 0.447 176.548 176.117 -0.026 0.000 1.148 493 I CA 0.419 61.695 61.300 -0.039 0.000 1.386 493 I CB -0.057 37.907 38.000 -0.061 0.000 1.406 493 I HN 0.404 nan 8.210 nan 0.000 0.540 494 L N 4.317 125.530 121.223 -0.015 0.000 2.622 494 L HA 0.695 5.035 4.340 -0.000 0.000 0.258 494 L C -1.402 175.468 176.870 -0.000 0.000 0.996 494 L CA -0.899 53.937 54.840 -0.006 0.000 0.858 494 L CB 1.727 43.785 42.059 -0.002 0.000 1.449 494 L HN 0.143 nan 8.230 nan 0.000 0.411 495 D N 0.406 120.809 120.400 0.006 0.000 2.342 495 D HA 0.529 5.169 4.640 -0.000 0.000 0.243 495 D C -2.727 173.582 176.300 0.015 0.000 1.019 495 D CA -1.338 52.668 54.000 0.011 0.000 0.864 495 D CB 2.434 43.242 40.800 0.013 0.000 1.315 495 D HN 0.360 nan 8.370 nan 0.000 0.468 496 P HA 0.065 nan 4.420 nan 0.000 0.268 496 P C 0.813 178.127 177.300 0.024 0.000 1.204 496 P CA 0.035 63.149 63.100 0.023 0.000 0.768 496 P CB 0.539 32.257 31.700 0.030 0.000 0.842 497 T N 1.896 116.463 114.554 0.021 0.000 2.822 497 T HA -0.210 4.140 4.350 -0.000 0.000 0.270 497 T C 1.561 176.276 174.700 0.025 0.000 1.064 497 T CA 1.379 63.492 62.100 0.021 0.000 1.131 497 T CB -0.251 68.627 68.868 0.018 0.000 0.858 497 T HN 0.482 nan 8.240 nan 0.000 0.483 498 K N 0.798 121.216 120.400 0.030 0.000 2.103 498 K HA -0.039 4.281 4.320 -0.000 0.000 0.204 498 K C 2.439 179.069 176.600 0.049 0.000 1.052 498 K CA 0.955 57.265 56.287 0.038 0.000 0.945 498 K CB -0.153 32.372 32.500 0.042 0.000 0.722 498 K HN 0.361 nan 8.250 nan 0.000 0.443 499 V N -1.113 118.829 119.914 0.046 0.000 2.270 499 V HA -0.183 3.937 4.120 -0.000 0.000 0.245 499 V C 1.800 177.922 176.094 0.046 0.000 1.043 499 V CA 2.224 64.553 62.300 0.048 0.000 1.014 499 V CB -1.183 30.663 31.823 0.037 0.000 0.645 499 V HN 0.203 nan 8.190 nan 0.000 0.447 500 T N 0.298 114.873 114.554 0.035 0.000 2.737 500 T HA -0.219 4.131 4.350 -0.000 0.000 0.269 500 T C 1.996 176.717 174.700 0.035 0.000 1.040 500 T CA 2.311 64.430 62.100 0.032 0.000 1.142 500 T CB -0.425 68.458 68.868 0.025 0.000 0.861 500 T HN 0.619 nan 8.240 nan 0.000 0.456 501 R N 0.840 121.360 120.500 0.033 0.000 2.057 501 R HA -0.039 4.301 4.340 -0.000 0.000 0.229 501 R C 2.637 178.955 176.300 0.030 0.000 1.136 501 R CA 1.536 57.649 56.100 0.023 0.000 0.952 501 R CB -0.369 29.940 30.300 0.014 0.000 0.848 501 R HN 0.263 nan 8.270 nan 0.000 0.430 502 S N 0.905 116.645 115.700 0.066 0.000 2.370 502 S HA -0.168 4.302 4.470 -0.000 0.000 0.226 502 S C 2.032 176.763 174.600 0.219 0.000 1.033 502 S CA 1.295 59.578 58.200 0.138 0.000 1.011 502 S CB -0.287 63.034 63.200 0.202 0.000 0.852 502 S HN 0.566 nan 8.310 nan 0.000 0.457 503 A N 1.126 124.034 122.820 0.147 0.000 1.902 503 A HA -0.029 4.291 4.320 -0.000 0.000 0.217 503 A C 2.142 179.789 177.584 0.104 0.000 1.181 503 A CA 1.330 53.445 52.037 0.130 0.000 0.623 503 A CB -0.653 18.392 19.000 0.074 0.000 0.818 503 A HN 0.406 nan 8.150 nan 0.000 0.443 504 L N -0.418 120.841 121.223 0.061 0.000 2.072 504 L HA -0.145 4.195 4.340 -0.000 0.000 0.205 504 L C 2.571 179.450 176.870 0.014 0.000 1.079 504 L CA 2.004 56.865 54.840 0.034 0.000 0.752 504 L CB -0.567 41.503 42.059 0.018 0.000 0.906 504 L HN 0.482 nan 8.230 nan 0.000 0.436 505 Q N -1.764 118.021 119.800 -0.026 0.000 2.020 505 Q HA -0.246 4.094 4.340 -0.000 0.000 0.202 505 Q C 2.197 178.123 176.000 -0.123 0.000 0.982 505 Q CA 2.275 58.006 55.803 -0.119 0.000 0.838 505 Q CB -0.376 28.214 28.738 -0.247 0.000 0.899 505 Q HN 0.475 nan 8.270 nan 0.000 0.423 506 Y N 0.179 120.483 120.300 0.007 0.000 2.145 506 Y HA -0.217 4.333 4.550 -0.000 0.000 0.286 506 Y C 2.421 178.324 175.900 0.006 0.000 1.145 506 Y CA 1.087 59.190 58.100 0.006 0.000 1.148 506 Y CB -0.796 37.667 38.460 0.005 0.000 0.981 506 Y HN 0.158 nan 8.280 nan 0.000 0.507 507 A N 0.043 122.962 122.820 0.166 0.000 1.917 507 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 507 A C 2.432 180.053 177.584 0.062 0.000 1.182 507 A CA 2.233 54.326 52.037 0.094 0.000 0.633 507 A CB -1.268 17.773 19.000 0.068 0.000 0.819 507 A HN 0.428 nan 8.150 nan 0.000 0.448 508 A N -1.410 121.436 122.820 0.043 0.000 1.968 508 A HA 0.015 4.335 4.320 -0.000 0.000 0.217 508 A C 2.410 180.008 177.584 0.023 0.000 1.169 508 A CA 1.828 53.878 52.037 0.022 0.000 0.638 508 A CB -0.764 18.238 19.000 0.003 0.000 0.812 508 A HN 0.512 nan 8.150 nan 0.000 0.446 509 S N -1.003 114.716 115.700 0.031 0.000 2.368 509 S HA -0.117 4.353 4.470 -0.000 0.000 0.225 509 S C 1.929 176.562 174.600 0.055 0.000 1.030 509 S CA 1.669 59.891 58.200 0.036 0.000 0.999 509 S CB -0.333 62.902 63.200 0.057 0.000 0.844 509 S HN 0.426 nan 8.310 nan 0.000 0.459 510 V N 1.184 121.142 119.914 0.073 0.000 2.379 510 V HA 0.185 4.305 4.120 -0.000 0.000 0.243 510 V C 2.517 178.636 176.094 0.041 0.000 1.035 510 V CA 1.620 63.956 62.300 0.060 0.000 1.035 510 V CB -0.779 31.083 31.823 0.066 0.000 0.673 510 V HN 0.515 nan 8.190 nan 0.000 0.457 511 A N 0.141 122.984 122.820 0.038 0.000 1.978 511 A HA -0.067 4.253 4.320 -0.000 0.000 0.220 511 A C 2.288 179.887 177.584 0.024 0.000 1.170 511 A CA 1.967 54.022 52.037 0.029 0.000 0.636 511 A CB -1.332 17.683 19.000 0.026 0.000 0.810 511 A HN 0.674 nan 8.150 nan 0.000 0.448 512 G N -0.285 108.529 108.800 0.024 0.000 2.408 512 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.217 512 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.217 512 G C 1.525 176.437 174.900 0.020 0.000 1.150 512 G CA 0.981 46.092 45.100 0.019 0.000 0.776 512 G HN 0.447 nan 8.290 nan 0.000 0.542 513 L N -0.339 120.898 121.223 0.024 0.000 2.093 513 L HA 0.030 4.370 4.340 -0.000 0.000 0.208 513 L C 3.042 179.925 176.870 0.023 0.000 1.085 513 L CA 0.798 55.652 54.840 0.023 0.000 0.755 513 L CB -0.301 41.774 42.059 0.027 0.000 0.904 513 L HN 0.191 nan 8.230 nan 0.000 0.435 514 M N -0.533 119.081 119.600 0.024 0.000 2.117 514 M HA -0.223 4.257 4.480 -0.000 0.000 0.262 514 M C 2.301 178.614 176.300 0.022 0.000 1.065 514 M CA 1.903 57.217 55.300 0.024 0.000 1.114 514 M CB -0.254 32.360 32.600 0.024 0.000 1.361 514 M HN 0.189 nan 8.290 nan 0.000 0.408 515 I N -0.260 120.322 120.570 0.020 0.000 2.315 515 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 515 I C 2.216 178.345 176.117 0.020 0.000 1.117 515 I CA 1.574 62.885 61.300 0.019 0.000 1.404 515 I CB -0.339 37.671 38.000 0.017 0.000 1.071 515 I HN 0.399 nan 8.210 nan 0.000 0.419 516 T N -3.017 111.549 114.554 0.020 0.000 3.148 516 T HA 0.064 4.414 4.350 -0.000 0.000 0.253 516 T C 0.839 175.555 174.700 0.025 0.000 1.134 516 T CA -0.027 62.086 62.100 0.021 0.000 1.051 516 T CB -0.732 68.148 68.868 0.019 0.000 0.959 516 T HN 0.071 nan 8.240 nan 0.000 0.525 517 T N 2.662 117.232 114.554 0.025 0.000 2.907 517 T HA 0.240 4.590 4.350 -0.000 0.000 0.298 517 T C 0.647 175.367 174.700 0.033 0.000 1.017 517 T CA -0.395 61.721 62.100 0.027 0.000 1.118 517 T CB 1.239 70.121 68.868 0.024 0.000 0.948 517 T HN 0.155 nan 8.240 nan 0.000 0.531 518 E N -0.143 120.082 120.200 0.041 0.000 2.568 518 E HA 0.171 4.521 4.350 -0.000 0.000 0.220 518 E C 0.151 176.792 176.600 0.069 0.000 0.869 518 E CA 0.023 56.463 56.400 0.068 0.000 1.268 518 E CB 0.918 30.671 29.700 0.088 0.000 1.252 518 E HN 0.602 nan 8.360 nan 0.000 0.606 519 C N 0.467 119.770 119.300 0.006 0.000 3.080 519 C HA 0.784 5.244 4.460 -0.000 0.000 0.307 519 C C -1.348 173.583 174.990 -0.099 0.000 1.311 519 C CA -0.462 58.471 59.018 -0.142 0.000 1.533 519 C CB 0.925 28.503 27.740 -0.269 0.000 1.970 519 C HN 0.161 nan 8.230 nan 0.000 0.467 520 M N 3.666 123.190 119.600 -0.126 0.000 2.378 520 M HA 0.564 5.044 4.480 -0.000 0.000 0.289 520 M C -1.365 174.991 176.300 0.095 0.000 1.136 520 M CA -0.454 54.875 55.300 0.048 0.000 0.917 520 M CB 2.219 34.964 32.600 0.243 0.000 1.669 520 M HN 0.446 nan 8.290 nan 0.000 0.461 521 V N 0.984 120.907 119.914 0.016 0.000 2.588 521 V HA 0.835 4.955 4.120 -0.000 0.000 0.304 521 V C -0.388 175.612 176.094 -0.156 0.000 1.042 521 V CA -0.504 61.782 62.300 -0.024 0.000 0.877 521 V CB 2.002 33.801 31.823 -0.039 0.000 0.996 521 V HN 0.925 nan 8.190 nan 0.000 0.425 522 T N 1.492 115.900 114.554 -0.242 0.000 2.843 522 T HA 0.347 4.697 4.350 -0.000 0.000 0.302 522 T C -1.056 173.522 174.700 -0.203 0.000 1.232 522 T CA -0.558 61.335 62.100 -0.345 0.000 1.009 522 T CB 1.952 70.368 68.868 -0.753 0.000 1.254 522 T HN 0.705 nan 8.240 nan 0.000 0.504 523 D N 1.089 121.391 120.400 -0.162 0.000 2.354 523 D HA 0.226 4.866 4.640 -0.000 0.000 0.238 523 D C -0.049 176.205 176.300 -0.076 0.000 1.250 523 D CA -0.056 53.889 54.000 -0.091 0.000 0.911 523 D CB 0.552 41.308 40.800 -0.073 0.000 1.163 523 D HN 0.205 nan 8.370 nan 0.000 0.456 524 L N 1.527 122.732 121.223 -0.030 0.000 2.375 524 L HA 0.304 4.644 4.340 -0.000 0.000 0.271 524 L C -1.524 175.340 176.870 -0.011 0.000 1.107 524 L CA -1.153 53.685 54.840 -0.004 0.000 0.806 524 L CB -0.070 41.997 42.059 0.013 0.000 1.146 524 L HN 0.280 nan 8.230 nan 0.000 0.447 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.099 63.100 -0.001 0.000 0.800 525 P CB 0.000 31.708 31.700 0.013 0.000 0.726