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 1sx4_1_M DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.579 177.584 -0.009 0.000 1.274 2 A CA 0.000 52.031 52.037 -0.009 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 3 A N 3.494 126.312 122.820 -0.005 0.000 2.450 3 A HA 0.602 4.923 4.320 0.001 0.000 0.255 3 A C 0.395 177.976 177.584 -0.005 0.000 1.096 3 A CA 0.019 52.057 52.037 0.000 0.000 0.778 3 A CB 0.199 19.203 19.000 0.006 0.000 1.031 3 A HN 0.637 nan 8.150 nan 0.000 0.494 4 K N 1.444 121.843 120.400 -0.001 0.000 2.168 4 K HA 0.412 4.733 4.320 0.001 0.000 0.239 4 K C -1.151 175.459 176.600 0.017 0.000 0.999 4 K CA -0.690 55.590 56.287 -0.010 0.000 0.900 4 K CB 1.162 33.649 32.500 -0.020 0.000 1.111 4 K HN 0.679 nan 8.250 nan 0.000 0.452 5 D N 1.068 121.478 120.400 0.016 0.000 2.381 5 D HA 0.290 4.930 4.640 0.001 0.000 0.235 5 D C -1.273 175.134 176.300 0.179 0.000 1.068 5 D CA -0.607 53.453 54.000 0.101 0.000 0.832 5 D CB 1.088 41.952 40.800 0.107 0.000 1.101 5 D HN 0.093 nan 8.370 nan 0.000 0.515 6 V N 4.032 124.045 119.914 0.164 0.000 2.459 6 V HA 0.492 4.613 4.120 0.001 0.000 0.295 6 V C 0.247 176.356 176.094 0.025 0.000 1.029 6 V CA -0.784 61.565 62.300 0.082 0.000 0.874 6 V CB 1.693 33.520 31.823 0.007 0.000 0.985 6 V HN 0.380 nan 8.190 nan 0.000 0.438 7 K N 2.869 123.198 120.400 -0.118 0.000 2.318 7 K HA 0.748 5.068 4.320 0.001 0.000 0.249 7 K C -1.709 174.651 176.600 -0.399 0.000 0.942 7 K CA -0.496 55.642 56.287 -0.247 0.000 0.808 7 K CB 2.047 34.208 32.500 -0.565 0.000 1.189 7 K HN 0.495 nan 8.250 nan 0.000 0.428 8 F N 0.712 120.623 119.950 -0.065 0.000 2.546 8 F HA 0.383 4.911 4.527 0.001 0.000 0.320 8 F C 1.199 176.974 175.800 -0.042 0.000 1.076 8 F CA 0.316 58.297 58.000 -0.033 0.000 0.928 8 F CB 1.966 40.956 39.000 -0.018 0.000 1.189 8 F HN 0.823 nan 8.300 nan 0.000 0.465 9 G N 2.616 111.518 108.800 0.170 0.000 2.692 9 G HA2 -0.500 3.461 3.960 0.001 0.000 0.339 9 G HA3 -0.500 3.461 3.960 0.001 0.000 0.339 9 G C 1.228 176.154 174.900 0.043 0.000 1.226 9 G CA 1.372 46.535 45.100 0.105 0.000 0.979 9 G HN 0.667 nan 8.290 nan 0.000 0.549 10 N N 1.212 119.933 118.700 0.035 0.000 2.039 10 N HA -0.032 4.709 4.740 0.001 0.000 0.193 10 N C 1.897 177.392 175.510 -0.026 0.000 1.044 10 N CA 1.927 54.979 53.050 0.004 0.000 0.847 10 N CB -0.373 38.116 38.487 0.003 0.000 1.030 10 N HN 0.562 nan 8.380 nan 0.000 0.422 11 D N 0.601 120.979 120.400 -0.038 0.000 2.177 11 D HA -0.273 4.368 4.640 0.001 0.000 0.189 11 D C 1.829 178.036 176.300 -0.155 0.000 1.002 11 D CA 1.746 55.686 54.000 -0.100 0.000 0.845 11 D CB -0.999 39.729 40.800 -0.120 0.000 0.960 11 D HN 0.333 nan 8.370 nan 0.000 0.447 12 A N 1.324 124.048 122.820 -0.160 0.000 1.894 12 A HA -0.335 3.986 4.320 0.001 0.000 0.220 12 A C 2.206 179.735 177.584 -0.092 0.000 1.237 12 A CA 2.760 54.699 52.037 -0.164 0.000 0.660 12 A CB -0.819 18.122 19.000 -0.097 0.000 0.835 12 A HN 0.256 nan 8.150 nan 0.000 0.461 13 R N -1.201 119.271 120.500 -0.048 0.000 2.092 13 R HA -0.022 4.319 4.340 0.001 0.000 0.231 13 R C 2.100 178.385 176.300 -0.024 0.000 1.119 13 R CA 1.214 57.301 56.100 -0.021 0.000 0.970 13 R CB -0.661 29.634 30.300 -0.007 0.000 0.864 13 R HN 0.421 nan 8.270 nan 0.000 0.440 14 V N 1.796 121.688 119.914 -0.037 0.000 2.261 14 V HA -0.275 3.846 4.120 0.001 0.000 0.246 14 V C 2.263 178.338 176.094 -0.032 0.000 1.047 14 V CA 1.716 63.997 62.300 -0.032 0.000 1.015 14 V CB -0.352 31.450 31.823 -0.036 0.000 0.642 14 V HN 0.196 nan 8.190 nan 0.000 0.446 15 K N -0.580 119.782 120.400 -0.062 0.000 2.034 15 K HA -0.212 4.108 4.320 0.001 0.000 0.214 15 K C 2.108 178.717 176.600 0.014 0.000 1.051 15 K CA 1.852 58.117 56.287 -0.036 0.000 0.931 15 K CB -0.786 31.649 32.500 -0.107 0.000 0.715 15 K HN 0.385 nan 8.250 nan 0.000 0.446 16 M N 0.087 119.695 119.600 0.013 0.000 2.082 16 M HA -0.234 4.247 4.480 0.001 0.000 0.258 16 M C 2.193 178.507 176.300 0.022 0.000 1.069 16 M CA 1.392 56.711 55.300 0.031 0.000 1.102 16 M CB -0.360 32.255 32.600 0.025 0.000 1.336 16 M HN 0.099 nan 8.290 nan 0.000 0.404 17 L N 0.521 121.750 121.223 0.011 0.000 1.976 17 L HA -0.208 4.133 4.340 0.001 0.000 0.209 17 L C 2.421 179.298 176.870 0.012 0.000 1.071 17 L CA 1.907 56.753 54.840 0.009 0.000 0.746 17 L CB -0.670 41.391 42.059 0.003 0.000 0.890 17 L HN 0.182 nan 8.230 nan 0.000 0.432 18 R N -0.232 120.275 120.500 0.011 0.000 2.083 18 R HA -0.142 4.199 4.340 0.001 0.000 0.237 18 R C 2.211 178.521 176.300 0.018 0.000 1.137 18 R CA 1.308 57.415 56.100 0.013 0.000 0.951 18 R CB -1.454 28.853 30.300 0.013 0.000 0.851 18 R HN 0.606 nan 8.270 nan 0.000 0.434 19 G N 1.399 110.214 108.800 0.026 0.000 2.672 19 G HA2 -0.354 3.606 3.960 0.001 0.000 0.218 19 G HA3 -0.354 3.606 3.960 0.001 0.000 0.218 19 G C 1.475 176.387 174.900 0.021 0.000 1.238 19 G CA 1.446 46.563 45.100 0.029 0.000 0.791 19 G HN 0.325 nan 8.290 nan 0.000 0.606 20 V N 1.137 121.063 119.914 0.020 0.000 2.332 20 V HA -0.249 3.872 4.120 0.001 0.000 0.248 20 V C 2.269 178.371 176.094 0.012 0.000 1.055 20 V CA 2.946 65.255 62.300 0.016 0.000 1.038 20 V CB -0.887 30.946 31.823 0.016 0.000 0.651 20 V HN 0.547 nan 8.190 nan 0.000 0.450 21 N N -0.165 118.542 118.700 0.012 0.000 2.061 21 N HA -0.186 4.555 4.740 0.001 0.000 0.193 21 N C 1.819 177.335 175.510 0.009 0.000 1.030 21 N CA 1.924 54.980 53.050 0.010 0.000 0.856 21 N CB -0.380 38.112 38.487 0.009 0.000 1.023 21 N HN 0.447 nan 8.380 nan 0.000 0.424 22 V N 1.640 121.560 119.914 0.010 0.000 2.282 22 V HA -0.245 3.875 4.120 0.001 0.000 0.249 22 V C 2.228 178.327 176.094 0.007 0.000 1.057 22 V CA 1.420 63.725 62.300 0.009 0.000 1.032 22 V CB -0.574 31.256 31.823 0.010 0.000 0.645 22 V HN 0.390 nan 8.190 nan 0.000 0.447 23 L N -0.184 121.044 121.223 0.008 0.000 1.955 23 L HA -0.246 4.095 4.340 0.001 0.000 0.213 23 L C 2.668 179.541 176.870 0.004 0.000 1.072 23 L CA 2.374 57.217 54.840 0.005 0.000 0.755 23 L CB -0.804 41.258 42.059 0.005 0.000 0.888 23 L HN 0.396 nan 8.230 nan 0.000 0.432 24 A N -0.361 122.462 122.820 0.006 0.000 1.917 24 A HA -0.273 4.048 4.320 0.001 0.000 0.219 24 A C 1.789 179.376 177.584 0.006 0.000 1.182 24 A CA 2.179 54.219 52.037 0.006 0.000 0.633 24 A CB -0.640 18.365 19.000 0.008 0.000 0.819 24 A HN 0.560 nan 8.150 nan 0.000 0.448 25 D N -0.237 120.166 120.400 0.006 0.000 2.183 25 D HA 0.052 4.692 4.640 0.001 0.000 0.203 25 D C 2.121 178.423 176.300 0.004 0.000 0.969 25 D CA 1.292 55.295 54.000 0.005 0.000 0.842 25 D CB -0.328 40.476 40.800 0.005 0.000 0.957 25 D HN 0.464 nan 8.370 nan 0.000 0.484 26 A N 0.470 123.292 122.820 0.004 0.000 1.930 26 A HA -0.039 4.282 4.320 0.001 0.000 0.215 26 A C 2.295 179.881 177.584 0.002 0.000 1.176 26 A CA 0.680 52.719 52.037 0.003 0.000 0.632 26 A CB -0.429 18.573 19.000 0.003 0.000 0.819 26 A HN 0.168 nan 8.150 nan 0.000 0.445 27 V N 0.731 120.646 119.914 0.002 0.000 3.052 27 V HA -0.092 4.029 4.120 0.001 0.000 0.254 27 V C 2.318 178.413 176.094 0.001 0.000 1.100 27 V CA 1.933 64.233 62.300 0.001 0.000 1.112 27 V CB -0.359 31.463 31.823 -0.001 0.000 0.738 27 V HN 0.802 nan 8.190 nan 0.000 0.469 28 K N 0.460 120.862 120.400 0.003 0.000 2.366 28 K HA -0.016 4.304 4.320 0.001 0.000 0.198 28 K C 1.454 178.056 176.600 0.005 0.000 1.044 28 K CA 1.586 57.875 56.287 0.004 0.000 0.973 28 K CB -0.185 32.319 32.500 0.006 0.000 0.767 28 K HN 0.467 nan 8.250 nan 0.000 0.475 29 V N -0.516 119.401 119.914 0.004 0.000 3.461 29 V HA -0.005 4.115 4.120 0.001 0.000 0.267 29 V C 1.572 177.668 176.094 0.004 0.000 1.186 29 V CA 1.003 63.306 62.300 0.004 0.000 1.154 29 V CB -0.651 31.174 31.823 0.004 0.000 0.802 29 V HN 0.453 nan 8.190 nan 0.000 0.474 30 T N -2.745 111.810 114.554 0.002 0.000 3.244 30 T HA 0.275 4.626 4.350 0.001 0.000 0.254 30 T C 1.217 175.917 174.700 0.001 0.000 1.024 30 T CA 0.330 62.431 62.100 0.001 0.000 0.920 30 T CB 0.523 69.390 68.868 -0.000 0.000 1.042 30 T HN 0.330 nan 8.240 nan 0.000 0.572 31 L N 2.185 123.410 121.223 0.003 0.000 2.084 31 L HA 0.477 4.817 4.340 0.001 0.000 0.202 31 L C 1.589 178.460 176.870 0.001 0.000 1.074 31 L CA 1.100 55.941 54.840 0.003 0.000 0.757 31 L CB -1.259 40.803 42.059 0.006 0.000 0.918 31 L HN 0.390 nan 8.230 nan 0.000 0.444 32 G N -0.104 108.699 108.800 0.004 0.000 2.939 32 G HA2 -0.025 3.935 3.960 0.001 0.000 0.257 32 G HA3 -0.025 3.935 3.960 0.001 0.000 0.257 32 G C -1.540 173.354 174.900 -0.010 0.000 1.259 32 G CA 0.179 45.279 45.100 0.000 0.000 0.928 32 G HN 0.430 nan 8.290 nan 0.000 0.615 33 P HA 0.040 nan 4.420 nan 0.000 0.239 33 P C 0.356 177.644 177.300 -0.021 0.000 1.184 33 P CA 1.046 64.131 63.100 -0.026 0.000 0.760 33 P CB 0.355 32.028 31.700 -0.044 0.000 0.884 34 K N 0.437 120.829 120.400 -0.014 0.000 3.271 34 K HA 0.341 4.662 4.320 0.001 0.000 0.192 34 K C 0.600 177.200 176.600 -0.001 0.000 1.108 34 K CA -0.399 55.883 56.287 -0.008 0.000 0.902 34 K CB 1.004 33.500 32.500 -0.007 0.000 0.889 34 K HN -0.008 nan 8.250 nan 0.000 0.520 35 G N 0.760 109.559 108.800 -0.002 0.000 2.599 35 G HA2 0.245 4.205 3.960 0.001 0.000 0.264 35 G HA3 0.245 4.205 3.960 0.001 0.000 0.264 35 G C 0.046 174.946 174.900 0.001 0.000 1.200 35 G CA -0.514 44.587 45.100 0.000 0.000 0.896 35 G HN 0.146 nan 8.290 nan 0.000 0.536 36 R N -0.102 120.399 120.500 0.002 0.000 2.549 36 R HA 0.311 4.651 4.340 0.001 0.000 0.259 36 R C 0.028 176.328 176.300 0.001 0.000 1.095 36 R CA -0.815 55.286 56.100 0.002 0.000 1.148 36 R CB 0.315 30.617 30.300 0.003 0.000 1.181 36 R HN 0.553 nan 8.270 nan 0.000 0.571 37 N N -0.131 118.570 118.700 0.001 0.000 2.509 37 N HA 0.279 5.020 4.740 0.001 0.000 0.287 37 N C -0.663 174.848 175.510 0.002 0.000 1.121 37 N CA -0.379 52.672 53.050 0.001 0.000 0.977 37 N CB 1.770 40.258 38.487 0.001 0.000 1.167 37 N HN 0.071 nan 8.380 nan 0.000 0.476 38 V N 1.486 121.401 119.914 0.002 0.000 2.628 38 V HA 0.336 4.457 4.120 0.001 0.000 0.306 38 V C -0.004 176.092 176.094 0.003 0.000 1.045 38 V CA -0.814 61.487 62.300 0.002 0.000 0.905 38 V CB 2.181 34.005 31.823 0.002 0.000 0.997 38 V HN 0.303 nan 8.190 nan 0.000 0.436 39 V N 5.729 125.645 119.914 0.003 0.000 2.370 39 V HA 0.432 4.553 4.120 0.001 0.000 0.279 39 V C -0.648 175.449 176.094 0.004 0.000 1.029 39 V CA -0.517 61.785 62.300 0.004 0.000 0.870 39 V CB 1.423 33.248 31.823 0.003 0.000 0.984 39 V HN 0.504 nan 8.190 nan 0.000 0.451 40 L N 4.429 125.656 121.223 0.006 0.000 2.324 40 L HA 0.486 4.827 4.340 0.001 0.000 0.274 40 L C 0.037 176.913 176.870 0.010 0.000 1.012 40 L CA -0.307 54.538 54.840 0.008 0.000 0.859 40 L CB 0.888 42.953 42.059 0.009 0.000 1.224 40 L HN 0.579 nan 8.230 nan 0.000 0.429 41 D N 3.273 123.677 120.400 0.008 0.000 2.378 41 D HA 0.177 4.818 4.640 0.001 0.000 0.238 41 D C -0.136 176.174 176.300 0.017 0.000 1.180 41 D CA 0.439 54.444 54.000 0.008 0.000 0.895 41 D CB 0.823 41.623 40.800 -0.001 0.000 1.192 41 D HN 0.285 nan 8.370 nan 0.000 0.438 42 K N 1.811 122.225 120.400 0.024 0.000 2.581 42 K HA 0.163 4.484 4.320 0.001 0.000 0.249 42 K C 0.516 177.154 176.600 0.063 0.000 0.966 42 K CA -0.506 55.810 56.287 0.049 0.000 0.811 42 K CB 1.367 33.898 32.500 0.052 0.000 1.223 42 K HN 0.376 nan 8.250 nan 0.000 0.438 43 S N 2.849 118.603 115.700 0.089 0.000 2.460 43 S HA -0.149 4.322 4.470 0.001 0.000 0.241 43 S C 0.445 175.035 174.600 -0.017 0.000 1.051 43 S CA 1.570 59.791 58.200 0.035 0.000 1.223 43 S CB -0.293 63.008 63.200 0.168 0.000 1.160 43 S HN 0.462 nan 8.310 nan 0.000 0.424 44 F N 0.918 120.867 119.950 -0.001 0.000 2.379 44 F HA 0.582 5.109 4.527 0.001 0.000 0.332 44 F C 1.202 177.001 175.800 -0.001 0.000 1.096 44 F CA -0.104 57.895 58.000 -0.002 0.000 1.105 44 F CB 0.111 39.110 39.000 -0.002 0.000 1.189 44 F HN 0.571 nan 8.300 nan 0.000 0.515 45 G N 0.605 109.498 108.800 0.155 0.000 2.642 45 G HA2 0.206 4.166 3.960 0.001 0.000 0.231 45 G HA3 0.206 4.166 3.960 0.001 0.000 0.231 45 G C -0.755 174.176 174.900 0.051 0.000 1.338 45 G CA -0.642 44.512 45.100 0.090 0.000 0.883 45 G HN 1.163 nan 8.290 nan 0.000 0.570 46 A N 1.148 123.992 122.820 0.039 0.000 2.302 46 A HA 0.824 5.145 4.320 0.001 0.000 0.285 46 A C -0.822 176.776 177.584 0.023 0.000 1.105 46 A CA -0.174 51.878 52.037 0.024 0.000 0.816 46 A CB 0.158 19.170 19.000 0.020 0.000 1.067 46 A HN 0.927 nan 8.150 nan 0.000 0.489 47 P HA 0.203 nan 4.420 nan 0.000 0.272 47 P C -0.313 176.996 177.300 0.015 0.000 1.254 47 P CA 0.017 63.125 63.100 0.014 0.000 0.795 47 P CB 0.303 32.007 31.700 0.008 0.000 1.022 48 T N 0.845 115.408 114.554 0.014 0.000 2.771 48 T HA 0.503 4.854 4.350 0.001 0.000 0.281 48 T C 0.142 174.848 174.700 0.009 0.000 0.982 48 T CA -0.360 61.748 62.100 0.012 0.000 0.978 48 T CB -0.028 68.848 68.868 0.014 0.000 0.930 48 T HN 0.160 nan 8.240 nan 0.000 0.447 49 I N 3.047 123.622 120.570 0.007 0.000 2.336 49 I HA 0.520 4.691 4.170 0.001 0.000 0.292 49 I C 0.511 176.631 176.117 0.004 0.000 0.991 49 I CA -0.507 60.796 61.300 0.005 0.000 1.227 49 I CB 1.567 39.569 38.000 0.004 0.000 1.366 49 I HN 0.454 nan 8.210 nan 0.000 0.466 50 T N 4.419 118.975 114.554 0.004 0.000 2.868 50 T HA 0.370 4.721 4.350 0.001 0.000 0.306 50 T C -0.075 174.625 174.700 0.001 0.000 1.224 50 T CA -0.559 61.543 62.100 0.003 0.000 1.012 50 T CB 1.866 70.736 68.868 0.004 0.000 1.221 50 T HN 0.699 nan 8.240 nan 0.000 0.499 51 K N 1.192 121.593 120.400 0.000 0.000 2.469 51 K HA 0.191 4.512 4.320 0.001 0.000 0.204 51 K C -0.658 175.941 176.600 -0.002 0.000 1.047 51 K CA -0.231 56.056 56.287 -0.001 0.000 1.072 51 K CB 0.540 33.039 32.500 -0.002 0.000 0.863 51 K HN 0.454 nan 8.250 nan 0.000 0.530 52 D N 0.086 120.485 120.400 -0.001 0.000 2.396 52 D HA 0.104 4.745 4.640 0.001 0.000 0.225 52 D C 1.153 177.451 176.300 -0.003 0.000 1.121 52 D CA -0.216 53.782 54.000 -0.003 0.000 0.853 52 D CB 1.294 42.093 40.800 -0.001 0.000 1.043 52 D HN 0.196 nan 8.370 nan 0.000 0.500 53 G N 2.575 111.372 108.800 -0.005 0.000 2.507 53 G HA2 -0.243 3.717 3.960 0.001 0.000 0.221 53 G HA3 -0.243 3.717 3.960 0.001 0.000 0.221 53 G C 1.464 176.359 174.900 -0.008 0.000 1.119 53 G CA 0.802 45.898 45.100 -0.006 0.000 0.751 53 G HN 0.484 nan 8.290 nan 0.000 0.574 54 V N 0.646 120.554 119.914 -0.010 0.000 2.453 54 V HA -0.142 3.979 4.120 0.001 0.000 0.247 54 V C 3.062 179.151 176.094 -0.008 0.000 1.048 54 V CA 2.026 64.318 62.300 -0.013 0.000 1.049 54 V CB -0.264 31.550 31.823 -0.015 0.000 0.672 54 V HN 0.374 nan 8.190 nan 0.000 0.457 55 S N 0.053 115.750 115.700 -0.004 0.000 2.353 55 S HA -0.197 4.274 4.470 0.001 0.000 0.222 55 S C 2.039 176.638 174.600 -0.000 0.000 1.035 55 S CA 1.710 59.910 58.200 -0.001 0.000 1.025 55 S CB -0.303 62.898 63.200 0.002 0.000 0.902 55 S HN 0.374 nan 8.310 nan 0.000 0.440 56 V N 2.286 122.200 119.914 -0.001 0.000 2.233 56 V HA -0.268 3.853 4.120 0.001 0.000 0.247 56 V C 2.698 178.792 176.094 -0.002 0.000 1.050 56 V CA 1.835 64.134 62.300 -0.000 0.000 1.010 56 V CB -1.427 30.396 31.823 -0.000 0.000 0.637 56 V HN 0.556 nan 8.190 nan 0.000 0.444 57 A N 0.346 123.163 122.820 -0.005 0.000 1.915 57 A HA -0.376 3.945 4.320 0.001 0.000 0.220 57 A C 2.389 179.970 177.584 -0.006 0.000 1.198 57 A CA 2.824 54.857 52.037 -0.007 0.000 0.647 57 A CB -0.729 18.264 19.000 -0.012 0.000 0.825 57 A HN 0.585 nan 8.150 nan 0.000 0.456 58 R N -0.870 119.627 120.500 -0.005 0.000 2.120 58 R HA -0.158 4.183 4.340 0.001 0.000 0.234 58 R C 1.780 178.079 176.300 -0.002 0.000 1.123 58 R CA 1.796 57.893 56.100 -0.005 0.000 0.975 58 R CB -0.222 30.076 30.300 -0.003 0.000 0.866 58 R HN 0.411 nan 8.270 nan 0.000 0.446 59 E N 0.254 120.454 120.200 0.001 0.000 2.285 59 E HA 0.037 4.388 4.350 0.001 0.000 0.194 59 E C -0.018 176.583 176.600 0.002 0.000 0.997 59 E CA 0.264 56.666 56.400 0.003 0.000 0.845 59 E CB 0.120 29.824 29.700 0.005 0.000 0.782 59 E HN 0.234 nan 8.360 nan 0.000 0.491 60 I N 2.116 122.686 120.570 0.001 0.000 2.587 60 I HA 0.070 4.241 4.170 0.001 0.000 0.284 60 I C 0.323 176.441 176.117 0.001 0.000 1.134 60 I CA 0.448 61.749 61.300 0.002 0.000 1.410 60 I CB -0.126 37.876 38.000 0.002 0.000 1.392 60 I HN 0.068 nan 8.210 nan 0.000 0.545 61 E N 7.597 127.798 120.200 0.002 0.000 2.291 61 E HA 0.557 4.908 4.350 0.001 0.000 0.276 61 E C -1.815 174.787 176.600 0.003 0.000 0.896 61 E CA -0.634 55.767 56.400 0.001 0.000 0.774 61 E CB 1.708 31.408 29.700 -0.001 0.000 1.227 61 E HN 0.461 nan 8.360 nan 0.000 0.413 62 L N 2.982 124.208 121.223 0.006 0.000 2.332 62 L HA 0.465 4.806 4.340 0.001 0.000 0.269 62 L C 1.462 178.338 176.870 0.010 0.000 1.016 62 L CA -0.722 54.124 54.840 0.010 0.000 0.809 62 L CB 1.232 43.301 42.059 0.018 0.000 1.280 62 L HN 0.721 nan 8.230 nan 0.000 0.447 63 E N 0.042 120.249 120.200 0.013 0.000 2.046 63 E HA -0.148 4.203 4.350 0.001 0.000 0.190 63 E C 0.381 176.991 176.600 0.017 0.000 0.982 63 E CA 0.363 56.770 56.400 0.011 0.000 0.800 63 E CB 0.268 29.976 29.700 0.012 0.000 0.756 63 E HN 0.647 nan 8.360 nan 0.000 0.449 64 D N 1.861 122.284 120.400 0.037 0.000 2.389 64 D HA -0.050 4.591 4.640 0.001 0.000 0.263 64 D C -0.363 175.974 176.300 0.061 0.000 1.255 64 D CA 0.236 54.278 54.000 0.071 0.000 0.914 64 D CB 0.518 41.372 40.800 0.089 0.000 1.116 64 D HN 0.084 nan 8.370 nan 0.000 0.502 65 K N 2.890 123.294 120.400 0.007 0.000 2.229 65 K HA 0.036 4.357 4.320 0.001 0.000 0.250 65 K C 0.724 177.342 176.600 0.031 0.000 1.016 65 K CA -0.363 55.869 56.287 -0.092 0.000 0.866 65 K CB 0.637 32.974 32.500 -0.271 0.000 1.028 65 K HN 0.414 nan 8.250 nan 0.000 0.514 66 F N -1.184 118.756 119.950 -0.017 0.000 2.522 66 F HA -0.351 4.176 4.527 0.001 0.000 0.755 66 F C 1.995 177.787 175.800 -0.014 0.000 0.485 66 F CA 1.730 59.719 58.000 -0.019 0.000 0.774 66 F CB -1.374 37.615 39.000 -0.019 0.000 1.618 66 F HN 0.748 nan 8.300 nan 0.000 0.279 67 E N 0.257 120.589 120.200 0.219 0.000 2.086 67 E HA -0.338 4.013 4.350 0.001 0.000 0.205 67 E C 1.595 178.238 176.600 0.072 0.000 1.027 67 E CA 2.022 58.484 56.400 0.104 0.000 0.830 67 E CB -0.418 29.329 29.700 0.078 0.000 0.751 67 E HN 0.506 nan 8.360 nan 0.000 0.456 68 N N 0.095 118.831 118.700 0.060 0.000 2.069 68 N HA -0.190 4.551 4.740 0.001 0.000 0.191 68 N C 1.820 177.343 175.510 0.022 0.000 1.031 68 N CA 1.749 54.815 53.050 0.026 0.000 0.852 68 N CB -0.056 38.433 38.487 0.003 0.000 1.018 68 N HN 0.101 nan 8.380 nan 0.000 0.423 69 M N -0.598 119.018 119.600 0.027 0.000 2.149 69 M HA -0.090 4.391 4.480 0.001 0.000 0.261 69 M C 2.194 178.514 176.300 0.033 0.000 1.064 69 M CA 1.609 56.922 55.300 0.020 0.000 1.102 69 M CB -0.681 31.936 32.600 0.028 0.000 1.369 69 M HN 0.374 nan 8.290 nan 0.000 0.408 70 G N 0.197 109.027 108.800 0.049 0.000 2.453 70 G HA2 -0.156 3.805 3.960 0.001 0.000 0.215 70 G HA3 -0.156 3.805 3.960 0.001 0.000 0.215 70 G C 1.639 176.554 174.900 0.024 0.000 1.201 70 G CA 1.066 46.189 45.100 0.038 0.000 0.784 70 G HN 0.537 nan 8.290 nan 0.000 0.545 71 A N -0.127 122.706 122.820 0.022 0.000 1.902 71 A HA -0.066 4.255 4.320 0.001 0.000 0.217 71 A C 2.396 179.984 177.584 0.007 0.000 1.181 71 A CA 1.985 54.030 52.037 0.014 0.000 0.623 71 A CB -0.381 18.627 19.000 0.013 0.000 0.818 71 A HN 0.328 nan 8.150 nan 0.000 0.443 72 Q N -0.726 119.078 119.800 0.006 0.000 2.170 72 Q HA -0.111 4.229 4.340 0.001 0.000 0.203 72 Q C 2.061 178.060 176.000 -0.001 0.000 0.976 72 Q CA 1.500 57.302 55.803 -0.002 0.000 0.858 72 Q CB -0.485 28.249 28.738 -0.006 0.000 0.907 72 Q HN 0.789 nan 8.270 nan 0.000 0.433 73 M N -0.535 119.069 119.600 0.006 0.000 2.132 73 M HA -0.135 4.346 4.480 0.001 0.000 0.263 73 M C 2.238 178.543 176.300 0.008 0.000 1.065 73 M CA 1.029 56.334 55.300 0.009 0.000 1.122 73 M CB -0.175 32.435 32.600 0.017 0.000 1.365 73 M HN -0.046 nan 8.290 nan 0.000 0.411 74 V N 0.348 120.267 119.914 0.009 0.000 2.307 74 V HA -0.266 3.855 4.120 0.001 0.000 0.245 74 V C 2.178 178.268 176.094 -0.008 0.000 1.045 74 V CA 1.740 64.044 62.300 0.008 0.000 1.024 74 V CB -0.673 31.157 31.823 0.011 0.000 0.651 74 V HN 0.418 nan 8.190 nan 0.000 0.449 75 K N -0.220 120.173 120.400 -0.011 0.000 2.077 75 K HA -0.302 4.019 4.320 0.001 0.000 0.213 75 K C 2.271 178.848 176.600 -0.038 0.000 1.051 75 K CA 2.182 58.456 56.287 -0.023 0.000 0.929 75 K CB -0.243 32.246 32.500 -0.017 0.000 0.715 75 K HN 0.522 nan 8.250 nan 0.000 0.451 76 E N 0.267 120.449 120.200 -0.031 0.000 2.077 76 E HA -0.175 4.176 4.350 0.001 0.000 0.193 76 E C 1.924 178.477 176.600 -0.077 0.000 0.989 76 E CA 1.104 57.479 56.400 -0.041 0.000 0.800 76 E CB 0.173 29.861 29.700 -0.021 0.000 0.746 76 E HN 0.100 nan 8.360 nan 0.000 0.452 77 V N 0.153 120.027 119.914 -0.067 0.000 2.725 77 V HA -0.010 4.110 4.120 0.001 0.000 0.247 77 V C 2.107 178.055 176.094 -0.243 0.000 1.058 77 V CA 1.322 63.554 62.300 -0.112 0.000 1.080 77 V CB 0.181 32.028 31.823 0.040 0.000 0.713 77 V HN 0.377 nan 8.190 nan 0.000 0.465 78 A N -0.621 122.122 122.820 -0.128 0.000 1.930 78 A HA -0.202 4.119 4.320 0.001 0.000 0.217 78 A C 2.539 180.020 177.584 -0.172 0.000 1.175 78 A CA 2.135 54.096 52.037 -0.126 0.000 0.627 78 A CB -0.845 18.119 19.000 -0.059 0.000 0.815 78 A HN 0.585 nan 8.150 nan 0.000 0.443 79 S N 0.075 115.686 115.700 -0.147 0.000 2.382 79 S HA -0.219 4.252 4.470 0.001 0.000 0.228 79 S C 1.968 176.444 174.600 -0.207 0.000 1.027 79 S CA 1.758 59.873 58.200 -0.143 0.000 0.991 79 S CB -0.401 62.742 63.200 -0.095 0.000 0.823 79 S HN 0.622 nan 8.310 nan 0.000 0.469 80 K N 1.287 121.499 120.400 -0.314 0.000 2.063 80 K HA -0.049 4.272 4.320 0.001 0.000 0.208 80 K C 2.521 178.790 176.600 -0.551 0.000 1.048 80 K CA 1.172 57.204 56.287 -0.426 0.000 0.928 80 K CB -0.657 31.498 32.500 -0.575 0.000 0.713 80 K HN 0.475 nan 8.250 nan 0.000 0.442 81 A N 2.777 125.147 122.820 -0.749 0.000 1.869 81 A HA -0.303 4.018 4.320 0.001 0.000 0.218 81 A C 2.136 179.631 177.584 -0.148 0.000 1.203 81 A CA 2.113 53.941 52.037 -0.348 0.000 0.638 81 A CB -0.986 17.922 19.000 -0.153 0.000 0.831 81 A HN 0.398 nan 8.150 nan 0.000 0.450 82 N N -0.250 118.358 118.700 -0.153 0.000 2.137 82 N HA -0.206 4.535 4.740 0.001 0.000 0.190 82 N C 1.180 176.616 175.510 -0.124 0.000 1.017 82 N CA 1.820 54.796 53.050 -0.123 0.000 0.859 82 N CB -0.394 38.025 38.487 -0.114 0.000 1.002 82 N HN 0.419 nan 8.380 nan 0.000 0.428 83 D N 0.273 120.597 120.400 -0.126 0.000 2.123 83 D HA -0.101 4.539 4.640 0.001 0.000 0.196 83 D C 1.348 177.618 176.300 -0.050 0.000 0.992 83 D CA 1.240 55.188 54.000 -0.086 0.000 0.833 83 D CB -0.175 40.576 40.800 -0.083 0.000 0.954 83 D HN 0.422 nan 8.370 nan 0.000 0.455 84 A N -0.825 121.978 122.820 -0.028 0.000 2.308 84 A HA 0.503 4.823 4.320 0.001 0.000 0.217 84 A C 1.671 179.265 177.584 0.016 0.000 1.216 84 A CA 0.966 53.019 52.037 0.028 0.000 0.864 84 A CB 0.470 19.534 19.000 0.107 0.000 0.902 84 A HN 0.188 nan 8.150 nan 0.000 0.499 85 A N -2.749 120.054 122.820 -0.029 0.000 2.263 85 A HA 0.476 4.797 4.320 0.001 0.000 0.200 85 A C 1.593 179.112 177.584 -0.109 0.000 1.428 85 A CA 1.000 53.018 52.037 -0.032 0.000 1.050 85 A CB -0.164 18.835 19.000 -0.001 0.000 1.226 85 A HN 1.752 nan 8.150 nan 0.000 0.501 86 G N -0.770 107.896 108.800 -0.224 0.000 2.141 86 G HA2 -0.070 3.891 3.960 0.001 0.000 0.242 86 G HA3 -0.070 3.891 3.960 0.001 0.000 0.242 86 G C -0.249 174.526 174.900 -0.208 0.000 0.982 86 G CA 0.646 45.507 45.100 -0.398 0.000 0.662 86 G HN 0.929 nan 8.290 nan 0.000 0.527 87 D N -3.314 117.010 120.400 -0.127 0.000 2.926 87 D HA 0.560 5.201 4.640 0.001 0.000 0.282 87 D C 0.925 177.196 176.300 -0.050 0.000 1.201 87 D CA 1.576 55.531 54.000 -0.076 0.000 0.735 87 D CB 0.175 40.943 40.800 -0.053 0.000 1.257 87 D HN 1.402 nan 8.370 nan 0.000 0.428 88 G N -0.342 108.437 108.800 -0.034 0.000 2.238 88 G HA2 -0.325 3.635 3.960 0.001 0.000 0.217 88 G HA3 -0.325 3.635 3.960 0.001 0.000 0.217 88 G C 1.210 176.096 174.900 -0.023 0.000 0.996 88 G CA 1.207 46.296 45.100 -0.017 0.000 0.632 88 G HN 0.801 nan 8.290 nan 0.000 0.503 89 T N 0.877 115.406 114.554 -0.042 0.000 2.684 89 T HA -0.328 4.023 4.350 0.001 0.000 0.259 89 T C 2.255 176.939 174.700 -0.027 0.000 1.086 89 T CA 2.941 65.013 62.100 -0.047 0.000 1.155 89 T CB -1.114 67.724 68.868 -0.050 0.000 0.848 89 T HN 0.587 nan 8.240 nan 0.000 0.464 90 T N 1.491 116.034 114.554 -0.019 0.000 2.770 90 T HA -0.078 4.273 4.350 0.001 0.000 0.263 90 T C 2.378 177.077 174.700 -0.002 0.000 1.039 90 T CA 1.633 63.727 62.100 -0.010 0.000 1.142 90 T CB -0.819 68.045 68.868 -0.007 0.000 0.868 90 T HN 0.493 nan 8.240 nan 0.000 0.435 91 T N 2.336 116.890 114.554 0.000 0.000 2.635 91 T HA -0.133 4.218 4.350 0.001 0.000 0.267 91 T C 2.400 177.109 174.700 0.014 0.000 1.040 91 T CA 1.397 63.502 62.100 0.009 0.000 1.156 91 T CB -0.723 68.152 68.868 0.011 0.000 0.863 91 T HN 0.436 nan 8.240 nan 0.000 0.430 92 A N 1.339 124.168 122.820 0.015 0.000 1.892 92 A HA -0.208 4.113 4.320 0.001 0.000 0.218 92 A C 2.578 180.175 177.584 0.021 0.000 1.188 92 A CA 2.470 54.524 52.037 0.028 0.000 0.631 92 A CB -1.495 17.518 19.000 0.022 0.000 0.822 92 A HN 0.501 nan 8.150 nan 0.000 0.447 93 T N -0.201 114.357 114.554 0.007 0.000 2.699 93 T HA -0.157 4.194 4.350 0.001 0.000 0.268 93 T C 1.853 176.560 174.700 0.011 0.000 1.036 93 T CA 1.727 63.831 62.100 0.007 0.000 1.147 93 T CB -0.543 68.324 68.868 -0.000 0.000 0.862 93 T HN 0.201 nan 8.240 nan 0.000 0.446 94 V N 1.113 121.033 119.914 0.011 0.000 2.407 94 V HA -0.109 4.012 4.120 0.001 0.000 0.248 94 V C 2.397 178.501 176.094 0.016 0.000 1.055 94 V CA 1.461 63.768 62.300 0.012 0.000 1.049 94 V CB -0.625 31.205 31.823 0.012 0.000 0.662 94 V HN 0.424 nan 8.190 nan 0.000 0.455 95 L N -0.228 121.007 121.223 0.020 0.000 2.131 95 L HA 0.011 4.352 4.340 0.001 0.000 0.206 95 L C 2.705 179.589 176.870 0.023 0.000 1.087 95 L CA 1.160 56.013 54.840 0.022 0.000 0.767 95 L CB -0.684 41.391 42.059 0.028 0.000 0.917 95 L HN 0.312 nan 8.230 nan 0.000 0.441 96 A N -0.438 122.397 122.820 0.026 0.000 1.908 96 A HA -0.300 4.021 4.320 0.001 0.000 0.218 96 A C 2.248 179.845 177.584 0.021 0.000 1.181 96 A CA 1.939 53.992 52.037 0.027 0.000 0.627 96 A CB -0.594 18.423 19.000 0.029 0.000 0.818 96 A HN 0.476 nan 8.150 nan 0.000 0.445 97 Q N -0.638 119.172 119.800 0.017 0.000 2.061 97 Q HA -0.172 4.169 4.340 0.001 0.000 0.204 97 Q C 2.274 178.282 176.000 0.014 0.000 0.984 97 Q CA 1.722 57.534 55.803 0.014 0.000 0.846 97 Q CB -0.357 28.388 28.738 0.012 0.000 0.902 97 Q HN 0.618 nan 8.270 nan 0.000 0.421 98 A N 0.664 123.493 122.820 0.014 0.000 1.883 98 A HA -0.202 4.119 4.320 0.001 0.000 0.217 98 A C 1.965 179.557 177.584 0.013 0.000 1.186 98 A CA 1.636 53.681 52.037 0.013 0.000 0.624 98 A CB -0.713 18.296 19.000 0.014 0.000 0.822 98 A HN 0.468 nan 8.150 nan 0.000 0.444 99 I N -0.347 120.232 120.570 0.015 0.000 2.133 99 I HA -0.236 3.935 4.170 0.001 0.000 0.238 99 I C 2.291 178.416 176.117 0.012 0.000 1.074 99 I CA 1.375 62.683 61.300 0.013 0.000 1.342 99 I CB -0.455 37.554 38.000 0.015 0.000 1.053 99 I HN 0.266 nan 8.210 nan 0.000 0.404 100 I N 0.490 121.069 120.570 0.014 0.000 2.185 100 I HA -0.346 3.824 4.170 0.001 0.000 0.246 100 I C 2.566 178.690 176.117 0.010 0.000 1.088 100 I CA 1.712 63.020 61.300 0.013 0.000 1.347 100 I CB -0.750 37.259 38.000 0.015 0.000 1.041 100 I HN 0.311 nan 8.210 nan 0.000 0.415 101 T N -0.079 114.481 114.554 0.010 0.000 2.701 101 T HA -0.135 4.215 4.350 0.001 0.000 0.263 101 T C 1.868 176.572 174.700 0.007 0.000 1.040 101 T CA 1.238 63.343 62.100 0.008 0.000 1.147 101 T CB -0.084 68.789 68.868 0.008 0.000 0.865 101 T HN 0.300 nan 8.240 nan 0.000 0.426 102 E N 0.473 120.677 120.200 0.007 0.000 2.076 102 E HA 0.049 4.400 4.350 0.001 0.000 0.190 102 E C 2.563 179.166 176.600 0.006 0.000 0.979 102 E CA 0.835 57.239 56.400 0.006 0.000 0.807 102 E CB -0.710 28.994 29.700 0.007 0.000 0.761 102 E HN 0.520 nan 8.360 nan 0.000 0.454 103 G N 1.302 110.106 108.800 0.007 0.000 2.440 103 G HA2 -0.224 3.737 3.960 0.001 0.000 0.218 103 G HA3 -0.224 3.737 3.960 0.001 0.000 0.218 103 G C 1.513 176.417 174.900 0.007 0.000 1.154 103 G CA 0.419 45.523 45.100 0.007 0.000 0.767 103 G HN 0.160 nan 8.290 nan 0.000 0.552 104 L N 0.056 121.283 121.223 0.007 0.000 2.240 104 L HA 0.278 4.619 4.340 0.001 0.000 0.211 104 L C 2.590 179.463 176.870 0.004 0.000 1.106 104 L CA 1.228 56.072 54.840 0.006 0.000 0.793 104 L CB -0.400 41.663 42.059 0.006 0.000 0.927 104 L HN 0.132 nan 8.230 nan 0.000 0.446 105 K N -1.038 119.364 120.400 0.004 0.000 2.025 105 K HA -0.051 4.269 4.320 0.001 0.000 0.207 105 K C 2.140 178.742 176.600 0.003 0.000 1.049 105 K CA 1.211 57.500 56.287 0.003 0.000 0.933 105 K CB -0.238 32.264 32.500 0.003 0.000 0.714 105 K HN 0.318 nan 8.250 nan 0.000 0.438 106 A N 1.098 123.921 122.820 0.004 0.000 1.873 106 A HA -0.197 4.124 4.320 0.001 0.000 0.218 106 A C 2.328 179.914 177.584 0.004 0.000 1.193 106 A CA 2.162 54.201 52.037 0.004 0.000 0.629 106 A CB -1.192 17.810 19.000 0.004 0.000 0.826 106 A HN 0.260 nan 8.150 nan 0.000 0.447 107 V N -1.631 118.286 119.914 0.005 0.000 2.392 107 V HA -0.122 3.999 4.120 0.001 0.000 0.249 107 V C 2.396 178.493 176.094 0.005 0.000 1.059 107 V CA 2.507 64.811 62.300 0.006 0.000 1.051 107 V CB -1.096 30.732 31.823 0.008 0.000 0.658 107 V HN 0.625 nan 8.190 nan 0.000 0.455 108 A N -0.209 122.613 122.820 0.003 0.000 2.119 108 A HA 0.467 4.787 4.320 0.001 0.000 0.216 108 A C 2.327 179.912 177.584 0.001 0.000 1.152 108 A CA 1.333 53.371 52.037 0.002 0.000 0.708 108 A CB -0.673 18.327 19.000 0.001 0.000 0.805 108 A HN 1.055 nan 8.150 nan 0.000 0.460 109 A N -1.541 121.280 122.820 0.002 0.000 2.123 109 A HA 0.418 4.739 4.320 0.001 0.000 0.214 109 A C 1.620 179.205 177.584 0.001 0.000 1.152 109 A CA 1.188 53.226 52.037 0.001 0.000 0.728 109 A CB -0.571 18.430 19.000 0.001 0.000 0.814 109 A HN 1.779 nan 8.150 nan 0.000 0.464 110 G N -1.446 107.355 108.800 0.002 0.000 2.173 110 G HA2 -0.165 3.796 3.960 0.001 0.000 0.174 110 G HA3 -0.165 3.796 3.960 0.001 0.000 0.174 110 G C -0.017 174.885 174.900 0.002 0.000 1.025 110 G CA 0.199 45.300 45.100 0.002 0.000 0.706 110 G HN 0.330 nan 8.290 nan 0.000 0.499 111 M N -0.094 119.508 119.600 0.003 0.000 2.649 111 M HA 0.399 4.880 4.480 0.001 0.000 0.294 111 M C 0.560 176.863 176.300 0.005 0.000 1.206 111 M CA -0.914 54.388 55.300 0.003 0.000 0.928 111 M CB 0.787 33.389 32.600 0.003 0.000 1.571 111 M HN 0.110 nan 8.290 nan 0.000 0.501 112 N N 1.350 120.052 118.700 0.005 0.000 2.406 112 N HA 0.190 4.930 4.740 0.001 0.000 0.251 112 N C -2.220 173.294 175.510 0.006 0.000 1.069 112 N CA -1.514 51.539 53.050 0.006 0.000 0.947 112 N CB 1.297 39.787 38.487 0.005 0.000 1.111 112 N HN 0.224 nan 8.380 nan 0.000 0.497 113 P HA -0.131 nan 4.420 nan 0.000 0.216 113 P C 1.410 178.715 177.300 0.008 0.000 1.150 113 P CA 1.193 64.299 63.100 0.009 0.000 0.843 113 P CB 0.278 31.985 31.700 0.012 0.000 0.787 114 M N -0.731 118.873 119.600 0.008 0.000 2.175 114 M HA -0.122 4.359 4.480 0.001 0.000 0.264 114 M C 1.463 177.766 176.300 0.005 0.000 1.063 114 M CA 1.698 57.002 55.300 0.007 0.000 1.119 114 M CB -0.953 31.651 32.600 0.007 0.000 1.377 114 M HN -0.201 nan 8.290 nan 0.000 0.415 115 D N -0.437 119.965 120.400 0.005 0.000 2.144 115 D HA -0.096 4.545 4.640 0.001 0.000 0.200 115 D C 2.063 178.366 176.300 0.004 0.000 0.978 115 D CA 1.192 55.194 54.000 0.004 0.000 0.833 115 D CB -0.157 40.645 40.800 0.003 0.000 0.961 115 D HN 0.353 nan 8.370 nan 0.000 0.470 116 L N 0.699 121.924 121.223 0.004 0.000 2.027 116 L HA -0.149 4.192 4.340 0.001 0.000 0.206 116 L C 2.561 179.434 176.870 0.004 0.000 1.074 116 L CA 1.016 55.859 54.840 0.005 0.000 0.745 116 L CB -0.354 41.709 42.059 0.006 0.000 0.898 116 L HN -0.034 nan 8.230 nan 0.000 0.433 117 K N 0.512 120.915 120.400 0.005 0.000 2.001 117 K HA -0.285 4.036 4.320 0.001 0.000 0.214 117 K C 2.261 178.862 176.600 0.002 0.000 1.050 117 K CA 1.809 58.098 56.287 0.004 0.000 0.934 117 K CB -0.107 32.396 32.500 0.004 0.000 0.718 117 K HN 0.016 nan 8.250 nan 0.000 0.443 118 R N -0.275 120.226 120.500 0.001 0.000 2.168 118 R HA -0.218 4.123 4.340 0.001 0.000 0.242 118 R C 2.296 178.596 176.300 -0.000 0.000 1.123 118 R CA 2.322 58.422 56.100 -0.000 0.000 0.928 118 R CB -1.120 29.180 30.300 0.001 0.000 0.873 118 R HN 0.509 nan 8.270 nan 0.000 0.434 119 G N 0.671 109.471 108.800 0.001 0.000 2.672 119 G HA2 -0.353 3.608 3.960 0.001 0.000 0.218 119 G HA3 -0.353 3.608 3.960 0.001 0.000 0.218 119 G C 1.469 176.370 174.900 0.001 0.000 1.238 119 G CA 1.622 46.722 45.100 0.001 0.000 0.791 119 G HN 0.387 nan 8.290 nan 0.000 0.606 120 I N 1.058 121.629 120.570 0.002 0.000 2.091 120 I HA -0.269 3.901 4.170 0.001 0.000 0.240 120 I C 2.460 178.576 176.117 -0.001 0.000 1.046 120 I CA 1.877 63.178 61.300 0.002 0.000 1.306 120 I CB -0.317 37.685 38.000 0.003 0.000 1.018 120 I HN 0.113 nan 8.210 nan 0.000 0.404 121 D N 0.398 120.796 120.400 -0.003 0.000 2.182 121 D HA -0.196 4.445 4.640 0.001 0.000 0.201 121 D C 2.085 178.380 176.300 -0.008 0.000 0.986 121 D CA 1.134 55.130 54.000 -0.008 0.000 0.847 121 D CB -0.195 40.599 40.800 -0.009 0.000 0.942 121 D HN 0.354 nan 8.370 nan 0.000 0.467 122 K N 0.460 120.858 120.400 -0.005 0.000 1.984 122 K HA -0.054 4.267 4.320 0.001 0.000 0.209 122 K C 2.118 178.716 176.600 -0.003 0.000 1.046 122 K CA 1.039 57.324 56.287 -0.004 0.000 0.934 122 K CB -0.075 32.424 32.500 -0.002 0.000 0.717 122 K HN -0.010 nan 8.250 nan 0.000 0.438 123 A N 0.855 123.674 122.820 -0.001 0.000 1.927 123 A HA -0.184 4.137 4.320 0.001 0.000 0.220 123 A C 2.265 179.849 177.584 0.000 0.000 1.185 123 A CA 2.024 54.062 52.037 0.001 0.000 0.639 123 A CB -0.849 18.153 19.000 0.003 0.000 0.820 123 A HN 0.193 nan 8.150 nan 0.000 0.451 124 V N -0.770 119.142 119.914 -0.003 0.000 2.244 124 V HA -0.235 3.886 4.120 0.001 0.000 0.244 124 V C 2.695 178.784 176.094 -0.008 0.000 1.042 124 V CA 2.478 64.775 62.300 -0.006 0.000 1.006 124 V CB -1.402 30.413 31.823 -0.012 0.000 0.641 124 V HN 0.602 nan 8.190 nan 0.000 0.446 125 T N 0.408 114.956 114.554 -0.011 0.000 2.680 125 T HA -0.297 4.054 4.350 0.001 0.000 0.268 125 T C 1.895 176.591 174.700 -0.006 0.000 1.033 125 T CA 2.075 64.168 62.100 -0.011 0.000 1.152 125 T CB -0.406 68.456 68.868 -0.010 0.000 0.859 125 T HN 0.601 nan 8.240 nan 0.000 0.452 126 A N 0.522 123.340 122.820 -0.003 0.000 1.935 126 A HA 0.461 4.782 4.320 0.001 0.000 0.214 126 A C 2.533 180.118 177.584 0.002 0.000 1.178 126 A CA 1.348 53.385 52.037 0.000 0.000 0.640 126 A CB -0.730 18.271 19.000 0.001 0.000 0.825 126 A HN 0.495 nan 8.150 nan 0.000 0.447 127 A N -0.429 122.393 122.820 0.003 0.000 1.930 127 A HA 0.149 4.469 4.320 0.001 0.000 0.215 127 A C 2.135 179.722 177.584 0.005 0.000 1.176 127 A CA 1.335 53.375 52.037 0.006 0.000 0.632 127 A CB -0.789 18.216 19.000 0.008 0.000 0.819 127 A HN 0.304 nan 8.150 nan 0.000 0.445 128 V N 0.208 120.122 119.914 0.001 0.000 2.252 128 V HA -0.322 3.798 4.120 0.001 0.000 0.249 128 V C 2.533 178.628 176.094 0.002 0.000 1.056 128 V CA 2.553 64.853 62.300 -0.001 0.000 1.022 128 V CB -0.893 30.925 31.823 -0.009 0.000 0.641 128 V HN 0.597 nan 8.190 nan 0.000 0.445 129 E N 0.140 120.340 120.200 0.001 0.000 2.068 129 E HA -0.244 4.107 4.350 0.001 0.000 0.207 129 E C 2.305 178.909 176.600 0.006 0.000 1.032 129 E CA 1.780 58.182 56.400 0.003 0.000 0.839 129 E CB -0.364 29.337 29.700 0.002 0.000 0.758 129 E HN 0.545 nan 8.360 nan 0.000 0.457 130 E N -0.245 119.959 120.200 0.008 0.000 2.070 130 E HA -0.216 4.135 4.350 0.001 0.000 0.197 130 E C 2.146 178.754 176.600 0.013 0.000 1.004 130 E CA 0.837 57.243 56.400 0.011 0.000 0.805 130 E CB -0.381 29.326 29.700 0.011 0.000 0.744 130 E HN 0.177 nan 8.360 nan 0.000 0.451 131 L N 1.587 122.818 121.223 0.013 0.000 2.051 131 L HA -0.239 4.102 4.340 0.001 0.000 0.214 131 L C 2.209 179.088 176.870 0.014 0.000 1.076 131 L CA 1.774 56.623 54.840 0.015 0.000 0.758 131 L CB -0.526 41.541 42.059 0.014 0.000 0.890 131 L HN 0.083 nan 8.230 nan 0.000 0.433 132 K N -1.223 119.184 120.400 0.011 0.000 2.147 132 K HA -0.104 4.216 4.320 0.001 0.000 0.205 132 K C 2.055 178.662 176.600 0.012 0.000 1.049 132 K CA 1.304 57.597 56.287 0.011 0.000 0.936 132 K CB -0.310 32.195 32.500 0.008 0.000 0.722 132 K HN 0.363 nan 8.250 nan 0.000 0.446 133 A N 1.381 124.208 122.820 0.012 0.000 1.929 133 A HA -0.089 4.232 4.320 0.001 0.000 0.216 133 A C 2.090 179.683 177.584 0.016 0.000 1.176 133 A CA 0.820 52.864 52.037 0.013 0.000 0.628 133 A CB -0.333 18.674 19.000 0.012 0.000 0.816 133 A HN 0.206 nan 8.150 nan 0.000 0.444 134 L N -0.080 121.154 121.223 0.018 0.000 2.156 134 L HA 0.105 4.446 4.340 0.001 0.000 0.208 134 L C 1.386 178.270 176.870 0.022 0.000 1.095 134 L CA 1.092 55.945 54.840 0.023 0.000 0.770 134 L CB -0.527 41.547 42.059 0.026 0.000 0.914 134 L HN 0.231 nan 8.230 nan 0.000 0.439 135 S N -0.368 115.343 115.700 0.019 0.000 2.626 135 S HA 0.061 4.532 4.470 0.001 0.000 0.303 135 S C -0.143 174.467 174.600 0.017 0.000 1.256 135 S CA -0.348 57.863 58.200 0.018 0.000 1.069 135 S CB -0.122 63.088 63.200 0.016 0.000 0.807 135 S HN 0.100 nan 8.310 nan 0.000 0.500 136 V N 9.411 129.335 119.914 0.018 0.000 2.370 136 V HA 0.346 4.466 4.120 0.001 0.000 0.279 136 V C -1.924 174.179 176.094 0.015 0.000 1.029 136 V CA -1.807 60.503 62.300 0.016 0.000 0.870 136 V CB 1.154 32.987 31.823 0.018 0.000 0.984 136 V HN 0.738 nan 8.190 nan 0.000 0.451 137 P HA 0.146 nan 4.420 nan 0.000 0.270 137 P C -0.676 176.631 177.300 0.012 0.000 1.223 137 P CA -0.224 62.883 63.100 0.012 0.000 0.785 137 P CB 0.422 32.129 31.700 0.011 0.000 0.923 138 C N 1.775 121.082 119.300 0.012 0.000 2.407 138 C HA 0.615 5.075 4.460 0.001 0.000 0.328 138 C C 1.155 176.151 174.990 0.010 0.000 1.137 138 C CA 0.343 59.367 59.018 0.011 0.000 1.390 138 C CB -0.454 27.293 27.740 0.012 0.000 1.989 138 C HN 0.639 nan 8.230 nan 0.000 0.432 139 S N 3.047 118.753 115.700 0.009 0.000 2.830 139 S HA 0.194 4.665 4.470 0.001 0.000 0.249 139 S C 0.304 174.907 174.600 0.006 0.000 1.084 139 S CA 0.587 58.791 58.200 0.008 0.000 0.852 139 S CB -0.171 63.033 63.200 0.007 0.000 0.802 139 S HN 0.945 nan 8.310 nan 0.000 0.481 140 D N 1.354 121.757 120.400 0.006 0.000 2.358 140 D HA 0.334 4.975 4.640 0.001 0.000 0.244 140 D C 1.058 177.360 176.300 0.004 0.000 1.163 140 D CA -0.029 53.973 54.000 0.004 0.000 0.945 140 D CB 0.457 41.259 40.800 0.004 0.000 1.152 140 D HN 0.068 nan 8.370 nan 0.000 0.451 141 S N -0.140 115.562 115.700 0.003 0.000 2.374 141 S HA -0.256 4.215 4.470 0.001 0.000 0.227 141 S C 1.574 176.175 174.600 0.002 0.000 1.037 141 S CA 1.753 59.954 58.200 0.002 0.000 1.024 141 S CB -0.359 62.841 63.200 0.001 0.000 0.861 141 S HN 0.656 nan 8.310 nan 0.000 0.456 142 K N 1.008 121.409 120.400 0.003 0.000 2.001 142 K HA -0.156 4.165 4.320 0.001 0.000 0.214 142 K C 2.157 178.759 176.600 0.004 0.000 1.050 142 K CA 1.547 57.836 56.287 0.003 0.000 0.934 142 K CB -0.468 32.035 32.500 0.003 0.000 0.718 142 K HN 0.307 nan 8.250 nan 0.000 0.443 143 A N 1.065 123.888 122.820 0.005 0.000 1.933 143 A HA -0.129 4.192 4.320 0.001 0.000 0.218 143 A C 2.048 179.636 177.584 0.006 0.000 1.175 143 A CA 1.316 53.357 52.037 0.006 0.000 0.628 143 A CB -0.511 18.493 19.000 0.007 0.000 0.814 143 A HN 0.337 nan 8.150 nan 0.000 0.444 144 I N 0.061 120.634 120.570 0.006 0.000 2.142 144 I HA -0.249 3.922 4.170 0.001 0.000 0.240 144 I C 2.938 179.058 176.117 0.005 0.000 1.078 144 I CA 1.531 62.835 61.300 0.006 0.000 1.343 144 I CB -1.618 36.384 38.000 0.004 0.000 1.046 144 I HN 0.363 nan 8.210 nan 0.000 0.405 145 A N -0.133 122.689 122.820 0.003 0.000 1.930 145 A HA -0.262 4.059 4.320 0.001 0.000 0.217 145 A C 2.243 179.829 177.584 0.003 0.000 1.175 145 A CA 1.758 53.796 52.037 0.002 0.000 0.627 145 A CB -0.640 18.360 19.000 0.001 0.000 0.815 145 A HN 0.454 nan 8.150 nan 0.000 0.443 146 Q N 0.210 120.012 119.800 0.003 0.000 1.943 146 Q HA -0.212 4.129 4.340 0.001 0.000 0.213 146 Q C 2.088 178.091 176.000 0.004 0.000 1.017 146 Q CA 3.369 59.174 55.803 0.004 0.000 0.874 146 Q CB -0.872 27.869 28.738 0.005 0.000 0.960 146 Q HN 0.720 nan 8.270 nan 0.000 0.417 147 V N -0.324 119.594 119.914 0.007 0.000 2.407 147 V HA -0.082 4.039 4.120 0.001 0.000 0.248 147 V C 1.905 178.004 176.094 0.009 0.000 1.055 147 V CA 2.600 64.905 62.300 0.008 0.000 1.049 147 V CB -1.382 30.448 31.823 0.011 0.000 0.662 147 V HN 0.509 nan 8.190 nan 0.000 0.455 148 G N 0.725 109.530 108.800 0.008 0.000 2.514 148 G HA2 -0.362 3.599 3.960 0.001 0.000 0.217 148 G HA3 -0.362 3.599 3.960 0.001 0.000 0.217 148 G C 1.807 176.710 174.900 0.005 0.000 1.198 148 G CA 2.497 47.602 45.100 0.007 0.000 0.780 148 G HN 0.762 nan 8.290 nan 0.000 0.565 149 T N 0.291 114.847 114.554 0.002 0.000 2.684 149 T HA -0.125 4.226 4.350 0.001 0.000 0.267 149 T C 2.415 177.115 174.700 -0.000 0.000 1.036 149 T CA 1.508 63.608 62.100 0.000 0.000 1.148 149 T CB -0.401 68.467 68.868 -0.001 0.000 0.863 149 T HN 0.232 nan 8.240 nan 0.000 0.436 150 I N 1.755 122.325 120.570 0.000 0.000 2.226 150 I HA -0.136 4.035 4.170 0.001 0.000 0.245 150 I C 3.006 179.123 176.117 -0.001 0.000 1.100 150 I CA 1.511 62.809 61.300 -0.002 0.000 1.374 150 I CB -0.525 37.473 38.000 -0.003 0.000 1.057 150 I HN 0.325 nan 8.210 nan 0.000 0.413 151 S N 0.245 115.947 115.700 0.004 0.000 2.515 151 S HA 0.074 4.545 4.470 0.001 0.000 0.231 151 S C 1.598 176.203 174.600 0.009 0.000 0.987 151 S CA 0.868 59.073 58.200 0.008 0.000 0.936 151 S CB -0.123 63.087 63.200 0.016 0.000 0.766 151 S HN 0.429 nan 8.310 nan 0.000 0.528 152 A N 1.400 124.223 122.820 0.005 0.000 2.574 152 A HA 0.419 4.740 4.320 0.001 0.000 0.283 152 A C 0.447 178.031 177.584 -0.000 0.000 1.270 152 A CA -0.275 51.765 52.037 0.004 0.000 0.945 152 A CB -0.639 18.363 19.000 0.003 0.000 1.127 152 A HN 0.666 nan 8.150 nan 0.000 0.522 153 N N 0.436 119.135 118.700 -0.002 0.000 2.643 153 N HA -0.200 4.541 4.740 0.001 0.000 0.267 153 N C 0.167 175.673 175.510 -0.007 0.000 1.158 153 N CA 0.543 53.589 53.050 -0.006 0.000 0.684 153 N CB -1.034 37.450 38.487 -0.006 0.000 0.879 153 N HN 0.430 nan 8.380 nan 0.000 0.553 154 S N -0.738 114.958 115.700 -0.007 0.000 3.225 154 S HA -0.237 4.234 4.470 0.001 0.000 0.308 154 S C -0.151 174.446 174.600 -0.005 0.000 1.270 154 S CA 1.439 59.634 58.200 -0.007 0.000 1.011 154 S CB -0.665 62.529 63.200 -0.010 0.000 1.138 154 S HN 0.793 nan 8.310 nan 0.000 0.661 155 D N 1.141 121.538 120.400 -0.004 0.000 2.380 155 D HA 0.289 4.929 4.640 0.001 0.000 0.230 155 D C 0.953 177.251 176.300 -0.003 0.000 1.154 155 D CA -0.224 53.774 54.000 -0.004 0.000 0.859 155 D CB 0.594 41.392 40.800 -0.004 0.000 1.045 155 D HN 0.392 nan 8.370 nan 0.000 0.495 156 E N 1.115 121.313 120.200 -0.003 0.000 2.204 156 E HA -0.151 4.199 4.350 0.001 0.000 0.195 156 E C 1.696 178.294 176.600 -0.003 0.000 0.990 156 E CA 1.213 57.612 56.400 -0.003 0.000 0.821 156 E CB 0.303 30.001 29.700 -0.003 0.000 0.750 156 E HN 0.638 nan 8.360 nan 0.000 0.477 157 T N -1.930 112.622 114.554 -0.003 0.000 2.951 157 T HA -0.060 4.291 4.350 0.001 0.000 0.268 157 T C 1.985 176.682 174.700 -0.004 0.000 1.073 157 T CA 0.805 62.903 62.100 -0.004 0.000 1.134 157 T CB -0.237 68.629 68.868 -0.004 0.000 0.884 157 T HN -0.053 nan 8.240 nan 0.000 0.479 158 V N 1.972 121.884 119.914 -0.004 0.000 2.307 158 V HA 0.061 4.182 4.120 0.001 0.000 0.245 158 V C 3.151 179.243 176.094 -0.003 0.000 1.045 158 V CA 1.685 63.982 62.300 -0.004 0.000 1.024 158 V CB -1.620 30.201 31.823 -0.003 0.000 0.651 158 V HN 0.634 nan 8.190 nan 0.000 0.449 159 G N -0.083 108.716 108.800 -0.002 0.000 2.529 159 G HA2 -0.378 3.583 3.960 0.001 0.000 0.219 159 G HA3 -0.378 3.583 3.960 0.001 0.000 0.219 159 G C 1.624 176.523 174.900 -0.002 0.000 1.177 159 G CA 1.443 46.542 45.100 -0.001 0.000 0.773 159 G HN 0.495 nan 8.290 nan 0.000 0.573 160 K N -0.454 119.944 120.400 -0.003 0.000 2.001 160 K HA -0.098 4.223 4.320 0.001 0.000 0.214 160 K C 2.546 179.143 176.600 -0.005 0.000 1.050 160 K CA 1.409 57.694 56.287 -0.003 0.000 0.934 160 K CB -0.356 32.142 32.500 -0.004 0.000 0.718 160 K HN 0.215 nan 8.250 nan 0.000 0.443 161 L N 1.075 122.295 121.223 -0.006 0.000 2.079 161 L HA -0.194 4.147 4.340 0.001 0.000 0.210 161 L C 2.132 178.996 176.870 -0.010 0.000 1.081 161 L CA 1.507 56.342 54.840 -0.008 0.000 0.752 161 L CB -0.318 41.735 42.059 -0.010 0.000 0.896 161 L HN 0.290 nan 8.230 nan 0.000 0.433 162 I N -1.363 119.202 120.570 -0.009 0.000 2.110 162 I HA -0.297 3.874 4.170 0.001 0.000 0.236 162 I C 2.638 178.751 176.117 -0.007 0.000 1.068 162 I CA 1.151 62.445 61.300 -0.010 0.000 1.333 162 I CB -0.680 37.316 38.000 -0.007 0.000 1.054 162 I HN 0.212 nan 8.210 nan 0.000 0.402 163 A N 0.384 123.202 122.820 -0.004 0.000 1.929 163 A HA -0.339 3.981 4.320 0.001 0.000 0.221 163 A C 2.231 179.812 177.584 -0.004 0.000 1.211 163 A CA 2.437 54.473 52.037 -0.003 0.000 0.657 163 A CB -0.884 18.115 19.000 -0.002 0.000 0.827 163 A HN 0.526 nan 8.150 nan 0.000 0.462 164 E N -0.915 119.281 120.200 -0.005 0.000 2.072 164 E HA -0.047 4.304 4.350 0.001 0.000 0.191 164 E C 2.413 179.009 176.600 -0.008 0.000 0.985 164 E CA 0.791 57.188 56.400 -0.006 0.000 0.801 164 E CB -0.258 29.438 29.700 -0.007 0.000 0.750 164 E HN 0.649 nan 8.360 nan 0.000 0.452 165 A N 1.403 124.217 122.820 -0.010 0.000 1.845 165 A HA -0.227 4.094 4.320 0.001 0.000 0.215 165 A C 2.211 179.789 177.584 -0.010 0.000 1.195 165 A CA 1.677 53.707 52.037 -0.012 0.000 0.616 165 A CB -0.597 18.394 19.000 -0.016 0.000 0.832 165 A HN 0.151 nan 8.150 nan 0.000 0.443 166 M N -0.883 118.712 119.600 -0.009 0.000 2.108 166 M HA -0.245 4.236 4.480 0.001 0.000 0.257 166 M C 1.801 178.098 176.300 -0.005 0.000 1.071 166 M CA 2.247 57.543 55.300 -0.006 0.000 1.093 166 M CB -1.002 31.596 32.600 -0.004 0.000 1.345 166 M HN 0.494 nan 8.290 nan 0.000 0.403 167 D N 0.339 120.736 120.400 -0.005 0.000 2.221 167 D HA -0.130 4.511 4.640 0.001 0.000 0.204 167 D C 1.856 178.153 176.300 -0.005 0.000 0.982 167 D CA 1.189 55.186 54.000 -0.004 0.000 0.857 167 D CB 0.244 41.042 40.800 -0.004 0.000 0.934 167 D HN 0.345 nan 8.370 nan 0.000 0.475 168 K N -1.135 119.262 120.400 -0.006 0.000 2.262 168 K HA 0.132 4.452 4.320 0.001 0.000 0.200 168 K C 1.356 177.952 176.600 -0.006 0.000 1.058 168 K CA 0.215 56.498 56.287 -0.006 0.000 0.974 168 K CB 0.774 33.270 32.500 -0.008 0.000 0.910 168 K HN -0.021 nan 8.250 nan 0.000 0.484 169 V N 0.270 120.179 119.914 -0.007 0.000 3.528 169 V HA 0.286 4.406 4.120 0.001 0.000 0.294 169 V C -0.070 176.021 176.094 -0.006 0.000 1.404 169 V CA 0.756 63.052 62.300 -0.007 0.000 1.065 169 V CB 0.408 32.226 31.823 -0.009 0.000 0.904 169 V HN 0.518 nan 8.190 nan 0.000 0.435 170 G N 0.756 109.554 108.800 -0.005 0.000 2.612 170 G HA2 -0.166 3.795 3.960 0.001 0.000 0.686 170 G HA3 -0.166 3.795 3.960 0.001 0.000 0.686 170 G C -0.049 174.849 174.900 -0.003 0.000 1.274 170 G CA -0.072 45.027 45.100 -0.003 0.000 0.849 170 G HN 0.302 nan 8.290 nan 0.000 0.595 171 K N 0.000 120.400 120.400 -0.000 0.000 2.442 171 K HA 0.042 4.363 4.320 0.001 0.000 0.198 171 K C 1.927 178.528 176.600 0.002 0.000 1.042 171 K CA 1.607 57.895 56.287 0.002 0.000 0.958 171 K CB 0.137 32.639 32.500 0.005 0.000 0.766 171 K HN 0.414 nan 8.250 nan 0.000 0.474 172 E N 0.787 120.988 120.200 0.001 0.000 2.035 172 E HA 0.055 4.406 4.350 0.001 0.000 0.191 172 E C 0.554 177.153 176.600 -0.002 0.000 0.966 172 E CA 0.702 57.103 56.400 0.002 0.000 0.823 172 E CB -0.550 29.152 29.700 0.003 0.000 0.791 172 E HN 0.273 nan 8.360 nan 0.000 0.459 173 G N 1.257 110.055 108.800 -0.004 0.000 2.942 173 G HA2 -0.202 3.758 3.960 0.001 0.000 0.290 173 G HA3 -0.202 3.758 3.960 0.001 0.000 0.290 173 G C -0.037 174.855 174.900 -0.013 0.000 0.295 173 G CA 0.235 45.331 45.100 -0.007 0.000 1.201 173 G HN 0.149 nan 8.290 nan 0.000 0.204 174 V N 4.806 124.711 119.914 -0.015 0.000 2.450 174 V HA 0.166 4.286 4.120 0.001 0.000 0.281 174 V C 0.947 177.023 176.094 -0.030 0.000 1.019 174 V CA 0.484 62.769 62.300 -0.024 0.000 1.062 174 V CB 0.131 31.940 31.823 -0.023 0.000 0.979 174 V HN 0.502 nan 8.190 nan 0.000 0.477 175 I N 5.601 126.147 120.570 -0.039 0.000 2.382 175 I HA 0.500 4.671 4.170 0.001 0.000 0.286 175 I C 0.400 176.483 176.117 -0.057 0.000 1.002 175 I CA -0.252 61.022 61.300 -0.043 0.000 1.135 175 I CB 1.797 39.773 38.000 -0.040 0.000 1.288 175 I HN 0.647 nan 8.210 nan 0.000 0.448 176 T N 2.518 117.042 114.554 -0.051 0.000 2.940 176 T HA 0.789 5.140 4.350 0.001 0.000 0.288 176 T C -0.405 174.267 174.700 -0.047 0.000 1.045 176 T CA -0.842 61.224 62.100 -0.056 0.000 1.018 176 T CB 2.243 71.080 68.868 -0.053 0.000 1.151 176 T HN 0.184 nan 8.240 nan 0.000 0.529 177 V N 0.902 120.788 119.914 -0.047 0.000 2.495 177 V HA 0.599 4.719 4.120 0.001 0.000 0.298 177 V C -0.234 175.841 176.094 -0.031 0.000 1.031 177 V CA -0.767 61.511 62.300 -0.038 0.000 0.871 177 V CB 1.415 33.215 31.823 -0.040 0.000 0.988 177 V HN 0.986 nan 8.190 nan 0.000 0.432 178 E N 1.268 121.453 120.200 -0.025 0.000 2.320 178 E HA 0.422 4.773 4.350 0.001 0.000 0.264 178 E C -1.423 175.167 176.600 -0.017 0.000 0.923 178 E CA -0.999 55.388 56.400 -0.022 0.000 0.796 178 E CB 1.769 31.456 29.700 -0.022 0.000 1.262 178 E HN 0.669 nan 8.360 nan 0.000 0.428 179 D N 0.600 120.991 120.400 -0.015 0.000 2.455 179 D HA 0.202 4.843 4.640 0.001 0.000 0.241 179 D C -0.124 176.169 176.300 -0.012 0.000 1.138 179 D CA 0.460 54.453 54.000 -0.012 0.000 0.877 179 D CB 0.901 41.694 40.800 -0.010 0.000 1.187 179 D HN 0.436 nan 8.370 nan 0.000 0.451 180 G N 0.108 108.902 108.800 -0.011 0.000 2.448 180 G HA2 0.372 4.333 3.960 0.001 0.000 0.285 180 G HA3 0.372 4.333 3.960 0.001 0.000 0.285 180 G C 0.919 175.814 174.900 -0.010 0.000 1.176 180 G CA -0.377 44.717 45.100 -0.011 0.000 0.852 180 G HN 0.484 nan 8.290 nan 0.000 0.530 181 T N -1.180 113.368 114.554 -0.010 0.000 2.990 181 T HA 0.366 4.717 4.350 0.001 0.000 0.250 181 T C 1.210 175.906 174.700 -0.008 0.000 1.041 181 T CA 0.696 62.791 62.100 -0.009 0.000 1.010 181 T CB 0.487 69.349 68.868 -0.010 0.000 1.003 181 T HN 0.722 nan 8.240 nan 0.000 0.499 182 G N 1.166 109.962 108.800 -0.008 0.000 3.008 182 G HA2 0.538 4.499 3.960 0.001 0.000 0.181 182 G HA3 0.538 4.499 3.960 0.001 0.000 0.181 182 G C 0.196 175.093 174.900 -0.006 0.000 1.309 182 G CA -0.295 44.801 45.100 -0.007 0.000 1.009 182 G HN 0.224 nan 8.290 nan 0.000 0.584 183 L N -0.961 120.259 121.223 -0.006 0.000 2.513 183 L HA 0.370 4.711 4.340 0.001 0.000 0.222 183 L C 0.686 177.552 176.870 -0.006 0.000 1.096 183 L CA 0.410 55.247 54.840 -0.005 0.000 0.857 183 L CB -0.242 41.815 42.059 -0.005 0.000 1.026 183 L HN 0.222 nan 8.230 nan 0.000 0.469 184 Q N 1.784 121.581 119.800 -0.006 0.000 2.261 184 Q HA 0.165 4.505 4.340 0.001 0.000 0.252 184 Q C -0.752 175.243 176.000 -0.007 0.000 0.915 184 Q CA -0.218 55.581 55.803 -0.006 0.000 0.915 184 Q CB 0.869 29.603 28.738 -0.006 0.000 1.204 184 Q HN 0.318 nan 8.270 nan 0.000 0.421 185 D N 2.203 122.598 120.400 -0.007 0.000 2.399 185 D HA 0.113 4.754 4.640 0.001 0.000 0.241 185 D C -0.242 176.052 176.300 -0.009 0.000 1.133 185 D CA 0.482 54.477 54.000 -0.009 0.000 0.890 185 D CB 0.904 41.699 40.800 -0.008 0.000 1.201 185 D HN 0.374 nan 8.370 nan 0.000 0.432 186 E N 0.273 120.466 120.200 -0.010 0.000 2.340 186 E HA 0.543 4.894 4.350 0.001 0.000 0.273 186 E C -0.860 175.733 176.600 -0.012 0.000 0.891 186 E CA -0.731 55.663 56.400 -0.011 0.000 0.757 186 E CB 2.647 32.340 29.700 -0.011 0.000 1.231 186 E HN 0.159 nan 8.360 nan 0.000 0.439 187 L N 2.578 123.794 121.223 -0.012 0.000 2.404 187 L HA 0.476 4.817 4.340 0.001 0.000 0.272 187 L C -1.651 175.212 176.870 -0.012 0.000 0.980 187 L CA -0.444 54.388 54.840 -0.013 0.000 0.836 187 L CB 1.032 43.084 42.059 -0.012 0.000 1.238 187 L HN 0.612 nan 8.230 nan 0.000 0.408 188 D N 4.568 124.960 120.400 -0.014 0.000 2.649 188 D HA 0.335 4.976 4.640 0.001 0.000 0.249 188 D C -0.433 175.859 176.300 -0.014 0.000 1.112 188 D CA -0.243 53.749 54.000 -0.013 0.000 0.850 188 D CB 3.185 43.977 40.800 -0.014 0.000 1.399 188 D HN 0.309 nan 8.370 nan 0.000 0.503 189 V N -0.100 119.807 119.914 -0.012 0.000 2.607 189 V HA 0.743 4.863 4.120 0.001 0.000 0.289 189 V C 0.036 176.123 176.094 -0.012 0.000 1.053 189 V CA -0.331 61.962 62.300 -0.012 0.000 0.996 189 V CB 1.545 33.361 31.823 -0.010 0.000 0.995 189 V HN 0.331 nan 8.190 nan 0.000 0.476 190 V N 1.932 121.839 119.914 -0.012 0.000 3.120 190 V HA 0.455 4.576 4.120 0.001 0.000 0.303 190 V C -0.558 175.530 176.094 -0.010 0.000 1.238 190 V CA -0.614 61.679 62.300 -0.012 0.000 1.008 190 V CB 2.294 34.108 31.823 -0.015 0.000 1.064 190 V HN 1.098 nan 8.190 nan 0.000 0.434 191 E N 2.245 122.440 120.200 -0.008 0.000 2.452 191 E HA 0.495 4.846 4.350 0.001 0.000 0.261 191 E C 0.397 176.995 176.600 -0.003 0.000 0.987 191 E CA 1.180 57.578 56.400 -0.004 0.000 0.926 191 E CB 0.978 30.676 29.700 -0.003 0.000 0.934 191 E HN 1.144 nan 8.360 nan 0.000 0.452 192 G N 0.904 109.706 108.800 0.003 0.000 2.452 192 G HA2 0.428 4.389 3.960 0.001 0.000 0.224 192 G HA3 0.428 4.389 3.960 0.001 0.000 0.224 192 G C -0.991 173.921 174.900 0.020 0.000 1.208 192 G CA -0.289 44.815 45.100 0.007 0.000 0.946 192 G HN 0.469 nan 8.290 nan 0.000 0.481 193 M N -0.080 119.532 119.600 0.019 0.000 3.022 193 M HA 0.317 4.798 4.480 0.001 0.000 0.229 193 M C -2.379 173.935 176.300 0.024 0.000 0.782 193 M CA -0.465 54.862 55.300 0.046 0.000 0.840 193 M CB 1.813 34.471 32.600 0.098 0.000 1.592 193 M HN 0.911 nan 8.290 nan 0.000 0.593 194 Q N 3.376 123.195 119.800 0.033 0.000 2.331 194 Q HA 0.798 5.139 4.340 0.001 0.000 0.272 194 Q C -2.172 173.862 176.000 0.057 0.000 1.062 194 Q CA -0.626 55.146 55.803 -0.050 0.000 0.806 194 Q CB 2.372 31.067 28.738 -0.071 0.000 1.312 194 Q HN 0.536 nan 8.270 nan 0.000 0.431 195 F N -0.111 119.835 119.950 -0.006 0.000 2.591 195 F HA 0.471 4.999 4.527 0.001 0.000 0.309 195 F C -0.588 175.211 175.800 -0.001 0.000 1.098 195 F CA -1.161 56.838 58.000 -0.002 0.000 0.937 195 F CB 1.224 40.225 39.000 0.001 0.000 1.250 195 F HN 0.316 nan 8.300 nan 0.000 0.447 196 D N 3.418 123.957 120.400 0.231 0.000 2.745 196 D HA 0.131 4.772 4.640 0.001 0.000 0.229 196 D C -0.219 176.181 176.300 0.167 0.000 1.088 196 D CA 0.458 54.534 54.000 0.127 0.000 1.054 196 D CB -0.190 40.670 40.800 0.100 0.000 1.132 196 D HN 0.316 nan 8.370 nan 0.000 0.464 197 R N -0.095 120.513 120.500 0.180 0.000 2.686 197 R HA 0.633 4.974 4.340 0.001 0.000 0.283 197 R C 0.346 176.649 176.300 0.005 0.000 0.978 197 R CA -0.807 55.383 56.100 0.149 0.000 0.897 197 R CB 2.206 32.702 30.300 0.327 0.000 1.192 197 R HN 0.168 nan 8.270 nan 0.000 0.457 198 G N 1.041 109.814 108.800 -0.046 0.000 2.491 198 G HA2 0.423 4.384 3.960 0.001 0.000 0.327 198 G HA3 0.423 4.384 3.960 0.001 0.000 0.327 198 G C -0.596 174.261 174.900 -0.072 0.000 1.189 198 G CA -0.573 44.422 45.100 -0.176 0.000 0.956 198 G HN 0.472 nan 8.290 nan 0.000 0.491 199 Y N -0.881 119.453 120.300 0.058 0.000 2.890 199 Y HA 0.134 4.685 4.550 0.001 0.000 0.341 199 Y C 1.039 177.042 175.900 0.172 0.000 1.269 199 Y CA -0.707 57.464 58.100 0.118 0.000 1.517 199 Y CB 0.278 38.850 38.460 0.186 0.000 1.314 199 Y HN 0.209 nan 8.280 nan 0.000 0.622 200 L N 1.873 123.410 121.223 0.523 0.000 2.558 200 L HA 0.131 4.471 4.340 0.001 0.000 0.225 200 L C 0.664 177.765 176.870 0.385 0.000 1.128 200 L CA 0.884 55.967 54.840 0.405 0.000 0.868 200 L CB -0.079 42.184 42.059 0.340 0.000 1.006 200 L HN 0.811 nan 8.230 nan 0.000 0.454 201 S N -1.491 114.470 115.700 0.434 0.000 2.562 201 S HA 0.348 4.819 4.470 0.001 0.000 0.274 201 S C -2.390 172.020 174.600 -0.317 0.000 1.160 201 S CA -0.969 57.224 58.200 -0.012 0.000 0.933 201 S CB 1.780 64.816 63.200 -0.274 0.000 1.100 201 S HN -0.248 nan 8.310 nan 0.000 0.468 202 P HA -0.037 nan 4.420 nan 0.000 0.221 202 P C 0.471 177.416 177.300 -0.593 0.000 1.145 202 P CA 0.950 63.603 63.100 -0.745 0.000 0.795 202 P CB -0.150 31.234 31.700 -0.527 0.000 0.775 203 Y N -2.686 117.374 120.300 -0.400 0.000 2.616 203 Y HA -0.004 4.547 4.550 0.001 0.000 0.296 203 Y C 1.759 177.463 175.900 -0.326 0.000 1.154 203 Y CA 0.274 58.168 58.100 -0.344 0.000 1.325 203 Y CB -1.243 37.012 38.460 -0.342 0.000 1.007 203 Y HN -0.058 nan 8.280 nan 0.000 0.542 204 F N -0.296 119.598 119.950 -0.093 0.000 2.325 204 F HA 0.006 4.534 4.527 0.001 0.000 0.299 204 F C 1.125 176.867 175.800 -0.098 0.000 1.090 204 F CA -0.386 57.566 58.000 -0.079 0.000 1.392 204 F CB -0.755 38.197 39.000 -0.079 0.000 1.053 204 F HN -0.180 nan 8.300 nan 0.000 0.521 205 I N 2.609 123.165 120.570 -0.023 0.000 2.919 205 I HA -0.227 3.944 4.170 0.001 0.000 0.299 205 I C 0.908 177.038 176.117 0.021 0.000 1.221 205 I CA 0.408 61.689 61.300 -0.031 0.000 1.424 205 I CB 0.147 38.083 38.000 -0.107 0.000 1.358 205 I HN 0.212 nan 8.210 nan 0.000 0.551 206 N N 5.405 124.126 118.700 0.035 0.000 2.205 206 N HA 0.050 4.791 4.740 0.001 0.000 0.201 206 N C -0.243 175.279 175.510 0.020 0.000 1.128 206 N CA -0.076 52.992 53.050 0.030 0.000 0.867 206 N CB 0.414 38.923 38.487 0.037 0.000 0.996 206 N HN 0.468 nan 8.380 nan 0.000 0.503 207 K N 0.879 121.291 120.400 0.020 0.000 2.827 207 K HA 0.271 4.592 4.320 0.001 0.000 0.186 207 K C -2.176 174.435 176.600 0.019 0.000 1.093 207 K CA -1.539 54.759 56.287 0.018 0.000 0.993 207 K CB 2.093 34.604 32.500 0.018 0.000 1.199 207 K HN -0.084 nan 8.250 nan 0.000 0.598 208 P HA -0.181 nan 4.420 nan 0.000 0.222 208 P C 0.199 177.509 177.300 0.018 0.000 1.142 208 P CA 1.210 64.317 63.100 0.013 0.000 0.788 208 P CB 0.401 32.105 31.700 0.008 0.000 0.767 209 E N -0.956 119.255 120.200 0.018 0.000 2.285 209 E HA -0.034 4.317 4.350 0.001 0.000 0.194 209 E C 1.419 178.036 176.600 0.028 0.000 0.997 209 E CA 1.080 57.492 56.400 0.020 0.000 0.845 209 E CB -0.911 28.799 29.700 0.016 0.000 0.782 209 E HN 0.264 nan 8.360 nan 0.000 0.491 210 T N -0.740 113.834 114.554 0.034 0.000 3.086 210 T HA 0.222 4.573 4.350 0.001 0.000 0.250 210 T C 1.194 175.931 174.700 0.062 0.000 1.074 210 T CA 0.231 62.359 62.100 0.047 0.000 0.988 210 T CB 0.402 69.295 68.868 0.042 0.000 0.988 210 T HN 0.301 nan 8.240 nan 0.000 0.530 211 G N 1.853 110.686 108.800 0.056 0.000 2.393 211 G HA2 0.065 4.025 3.960 0.001 0.000 0.299 211 G HA3 0.065 4.025 3.960 0.001 0.000 0.299 211 G C 0.049 175.027 174.900 0.131 0.000 0.990 211 G CA 0.149 45.293 45.100 0.073 0.000 1.118 211 G HN 0.974 nan 8.290 nan 0.000 0.513 212 A N -1.243 121.637 122.820 0.101 0.000 2.609 212 A HA 0.874 5.194 4.320 0.001 0.000 0.291 212 A C -0.536 177.100 177.584 0.088 0.000 1.096 212 A CA -0.256 51.862 52.037 0.134 0.000 0.684 212 A CB 1.849 20.908 19.000 0.098 0.000 1.282 212 A HN 1.289 nan 8.150 nan 0.000 0.412 213 V N 0.851 120.828 119.914 0.105 0.000 2.435 213 V HA 0.582 4.703 4.120 0.001 0.000 0.290 213 V C -0.108 176.009 176.094 0.038 0.000 1.030 213 V CA -0.278 62.065 62.300 0.071 0.000 0.881 213 V CB 1.441 33.316 31.823 0.087 0.000 0.983 213 V HN 0.880 nan 8.190 nan 0.000 0.445 214 E N 4.315 124.529 120.200 0.023 0.000 2.373 214 E HA 0.510 4.861 4.350 0.001 0.000 0.251 214 E C -1.580 175.021 176.600 0.001 0.000 0.923 214 E CA -0.409 55.995 56.400 0.006 0.000 0.798 214 E CB 1.416 31.119 29.700 0.005 0.000 1.303 214 E HN 0.585 nan 8.360 nan 0.000 0.412 215 L N 2.949 124.167 121.223 -0.009 0.000 2.317 215 L HA 0.462 4.802 4.340 0.001 0.000 0.281 215 L C 0.050 176.907 176.870 -0.021 0.000 1.024 215 L CA -0.682 54.152 54.840 -0.010 0.000 0.810 215 L CB 1.560 43.611 42.059 -0.013 0.000 1.240 215 L HN 0.359 nan 8.230 nan 0.000 0.427 216 E N 1.748 121.936 120.200 -0.021 0.000 2.129 216 E HA 0.222 4.572 4.350 0.001 0.000 0.268 216 E C -0.187 176.382 176.600 -0.053 0.000 0.900 216 E CA -0.371 56.009 56.400 -0.033 0.000 0.755 216 E CB 1.600 31.285 29.700 -0.024 0.000 1.117 216 E HN 0.644 nan 8.360 nan 0.000 0.410 217 S N 1.807 117.461 115.700 -0.076 0.000 3.635 217 S HA -0.105 4.366 4.470 0.001 0.000 0.328 217 S C -2.203 172.280 174.600 -0.195 0.000 1.135 217 S CA 0.137 58.259 58.200 -0.129 0.000 0.942 217 S CB -0.961 62.163 63.200 -0.126 0.000 0.930 217 S HN 0.473 nan 8.310 nan 0.000 0.512 218 P HA 0.351 nan 4.420 nan 0.000 0.274 218 P C 0.203 177.406 177.300 -0.160 0.000 1.231 218 P CA -0.387 62.655 63.100 -0.096 0.000 0.790 218 P CB 0.330 32.018 31.700 -0.020 0.000 0.951 219 F N 1.079 121.028 119.950 -0.001 0.000 2.410 219 F HA 0.295 4.823 4.527 0.001 0.000 0.334 219 F C 1.078 176.878 175.800 0.001 0.000 1.134 219 F CA 0.170 58.170 58.000 0.001 0.000 1.227 219 F CB 0.247 39.248 39.000 0.001 0.000 1.194 219 F HN 0.076 nan 8.300 nan 0.000 0.571 220 I N 3.745 124.434 120.570 0.198 0.000 2.439 220 I HA 0.214 4.384 4.170 0.001 0.000 0.285 220 I C -1.106 175.071 176.117 0.100 0.000 1.021 220 I CA -0.803 60.567 61.300 0.115 0.000 1.091 220 I CB 1.594 39.642 38.000 0.080 0.000 1.242 220 I HN 0.279 nan 8.210 nan 0.000 0.439 221 L N 8.008 129.276 121.223 0.074 0.000 2.319 221 L HA 0.397 4.737 4.340 0.001 0.000 0.280 221 L C -0.571 176.322 176.870 0.039 0.000 1.099 221 L CA 0.287 55.156 54.840 0.048 0.000 0.828 221 L CB 0.637 42.716 42.059 0.033 0.000 1.150 221 L HN 0.539 nan 8.230 nan 0.000 0.442 222 L N 6.628 127.869 121.223 0.029 0.000 2.825 222 L HA 0.505 4.846 4.340 0.001 0.000 0.236 222 L C 0.272 177.146 176.870 0.006 0.000 1.301 222 L CA -0.300 54.550 54.840 0.016 0.000 0.977 222 L CB 0.386 42.454 42.059 0.014 0.000 1.300 222 L HN 0.805 nan 8.230 nan 0.000 0.486 223 A N -0.104 122.721 122.820 0.009 0.000 2.366 223 A HA 0.261 4.582 4.320 0.001 0.000 0.272 223 A C -0.092 177.492 177.584 0.001 0.000 1.135 223 A CA -0.263 51.778 52.037 0.006 0.000 0.804 223 A CB 0.337 19.344 19.000 0.011 0.000 1.064 223 A HN 0.445 nan 8.150 nan 0.000 0.499 224 D N 1.804 122.202 120.400 -0.002 0.000 2.557 224 D HA 0.427 5.068 4.640 0.001 0.000 0.236 224 D C -0.158 176.144 176.300 0.003 0.000 1.154 224 D CA -0.061 53.936 54.000 -0.004 0.000 0.985 224 D CB -0.491 40.303 40.800 -0.010 0.000 1.010 224 D HN 0.664 nan 8.370 nan 0.000 0.516 225 K N -0.293 120.112 120.400 0.009 0.000 2.809 225 K HA 0.267 4.588 4.320 0.001 0.000 0.293 225 K C -1.421 175.191 176.600 0.020 0.000 1.061 225 K CA -1.128 55.168 56.287 0.014 0.000 0.837 225 K CB 0.591 33.099 32.500 0.012 0.000 1.524 225 K HN -0.146 nan 8.250 nan 0.000 0.370 226 K N 1.564 121.977 120.400 0.022 0.000 2.276 226 K HA 0.350 4.671 4.320 0.001 0.000 0.285 226 K C -0.542 176.075 176.600 0.028 0.000 1.062 226 K CA -0.406 55.898 56.287 0.028 0.000 0.918 226 K CB 0.621 33.138 32.500 0.028 0.000 1.055 226 K HN 0.367 nan 8.250 nan 0.000 0.477 227 I N 2.746 123.337 120.570 0.034 0.000 2.297 227 I HA 0.011 4.182 4.170 0.001 0.000 0.291 227 I C 0.715 176.856 176.117 0.039 0.000 1.033 227 I CA 0.117 61.438 61.300 0.035 0.000 1.253 227 I CB 1.374 39.397 38.000 0.038 0.000 1.396 227 I HN 0.680 nan 8.210 nan 0.000 0.476 228 S N 4.029 119.749 115.700 0.033 0.000 2.591 228 S HA 0.188 4.659 4.470 0.001 0.000 0.235 228 S C 0.614 175.232 174.600 0.030 0.000 1.074 228 S CA -0.050 58.169 58.200 0.032 0.000 0.925 228 S CB 0.288 63.503 63.200 0.026 0.000 0.818 228 S HN 0.609 nan 8.310 nan 0.000 0.535 229 N N 1.500 120.215 118.700 0.025 0.000 2.443 229 N HA 0.331 5.072 4.740 0.001 0.000 0.295 229 N C 0.086 175.610 175.510 0.024 0.000 1.076 229 N CA -0.267 52.796 53.050 0.022 0.000 0.919 229 N CB 1.873 40.370 38.487 0.017 0.000 1.176 229 N HN 0.062 nan 8.380 nan 0.000 0.487 230 I N 1.719 122.303 120.570 0.024 0.000 3.111 230 I HA -0.106 4.065 4.170 0.001 0.000 0.272 230 I C 2.028 178.155 176.117 0.016 0.000 1.268 230 I CA 0.629 61.943 61.300 0.024 0.000 1.467 230 I CB 0.106 38.121 38.000 0.026 0.000 1.087 230 I HN 0.460 nan 8.210 nan 0.000 0.467 231 R N 0.821 121.329 120.500 0.013 0.000 2.083 231 R HA -0.213 4.128 4.340 0.001 0.000 0.237 231 R C 1.921 178.226 176.300 0.007 0.000 1.137 231 R CA 1.930 58.035 56.100 0.008 0.000 0.951 231 R CB -0.157 30.147 30.300 0.007 0.000 0.851 231 R HN 0.461 nan 8.270 nan 0.000 0.434 232 E N -0.229 119.976 120.200 0.009 0.000 2.209 232 E HA -0.203 4.148 4.350 0.001 0.000 0.196 232 E C 1.889 178.492 176.600 0.005 0.000 0.993 232 E CA 0.981 57.386 56.400 0.007 0.000 0.819 232 E CB -0.012 29.694 29.700 0.010 0.000 0.745 232 E HN 0.269 nan 8.360 nan 0.000 0.477 233 M N 0.162 119.767 119.600 0.009 0.000 2.193 233 M HA -0.042 4.439 4.480 0.001 0.000 0.265 233 M C 2.318 178.618 176.300 -0.001 0.000 1.071 233 M CA 1.083 56.388 55.300 0.007 0.000 1.140 233 M CB -0.656 31.954 32.600 0.017 0.000 1.369 233 M HN 0.165 nan 8.290 nan 0.000 0.423 234 L N 0.461 121.684 121.223 -0.000 0.000 2.189 234 L HA -0.193 4.148 4.340 0.001 0.000 0.214 234 L C -0.360 176.503 176.870 -0.013 0.000 1.097 234 L CA 1.285 56.122 54.840 -0.004 0.000 0.764 234 L CB -2.038 40.020 42.059 -0.001 0.000 0.900 234 L HN 0.204 nan 8.230 nan 0.000 0.436 235 P HA -0.089 nan 4.420 nan 0.000 0.217 235 P C 1.828 179.104 177.300 -0.040 0.000 1.151 235 P CA 1.183 64.267 63.100 -0.025 0.000 0.828 235 P CB 0.163 31.849 31.700 -0.023 0.000 0.788 236 V N 0.258 120.149 119.914 -0.039 0.000 2.407 236 V HA -0.122 3.999 4.120 0.001 0.000 0.245 236 V C 2.742 178.798 176.094 -0.063 0.000 1.041 236 V CA 1.181 63.445 62.300 -0.060 0.000 1.040 236 V CB -1.105 30.689 31.823 -0.047 0.000 0.671 236 V HN -0.008 nan 8.190 nan 0.000 0.455 237 L N -0.327 120.876 121.223 -0.033 0.000 2.362 237 L HA -0.137 4.204 4.340 0.001 0.000 0.219 237 L C 2.433 179.288 176.870 -0.026 0.000 1.134 237 L CA 1.302 56.130 54.840 -0.020 0.000 0.807 237 L CB -0.265 41.795 42.059 0.001 0.000 0.927 237 L HN 0.418 nan 8.230 nan 0.000 0.447 238 E N -0.445 119.735 120.200 -0.034 0.000 2.122 238 E HA -0.082 4.268 4.350 0.001 0.000 0.190 238 E C 2.252 178.822 176.600 -0.049 0.000 0.977 238 E CA 0.769 57.150 56.400 -0.032 0.000 0.820 238 E CB 0.094 29.778 29.700 -0.027 0.000 0.770 238 E HN 0.456 nan 8.360 nan 0.000 0.462 239 A N 0.470 123.242 122.820 -0.080 0.000 1.929 239 A HA -0.084 4.236 4.320 0.001 0.000 0.216 239 A C 2.325 179.814 177.584 -0.159 0.000 1.176 239 A CA 0.753 52.718 52.037 -0.119 0.000 0.628 239 A CB -0.379 18.528 19.000 -0.156 0.000 0.816 239 A HN 0.120 nan 8.150 nan 0.000 0.444 240 V N -0.132 119.685 119.914 -0.163 0.000 2.307 240 V HA -0.212 3.908 4.120 0.001 0.000 0.245 240 V C 3.053 179.138 176.094 -0.016 0.000 1.045 240 V CA 1.860 64.082 62.300 -0.131 0.000 1.024 240 V CB -1.051 30.725 31.823 -0.079 0.000 0.651 240 V HN 0.588 nan 8.190 nan 0.000 0.449 241 A N -0.792 122.022 122.820 -0.011 0.000 2.024 241 A HA -0.241 4.079 4.320 0.001 0.000 0.220 241 A C 2.281 179.872 177.584 0.012 0.000 1.164 241 A CA 1.880 53.923 52.037 0.011 0.000 0.643 241 A CB -0.389 18.615 19.000 0.005 0.000 0.806 241 A HN 0.537 nan 8.150 nan 0.000 0.451 242 K N -0.785 119.613 120.400 -0.004 0.000 2.167 242 K HA 0.115 4.436 4.320 0.001 0.000 0.203 242 K C 1.909 178.523 176.600 0.023 0.000 1.052 242 K CA 0.787 57.076 56.287 0.002 0.000 0.956 242 K CB -0.125 32.367 32.500 -0.014 0.000 0.735 242 K HN 0.410 nan 8.250 nan 0.000 0.451 243 A N 0.757 123.598 122.820 0.036 0.000 2.235 243 A HA 0.122 4.442 4.320 0.001 0.000 0.208 243 A C 1.164 178.825 177.584 0.129 0.000 1.172 243 A CA 0.729 52.831 52.037 0.108 0.000 0.786 243 A CB -0.542 18.576 19.000 0.198 0.000 0.804 243 A HN 0.385 nan 8.150 nan 0.000 0.479 244 G N -0.159 108.695 108.800 0.089 0.000 2.356 244 G HA2 -0.275 3.686 3.960 0.001 0.000 0.296 244 G HA3 -0.275 3.686 3.960 0.001 0.000 0.296 244 G C 0.028 174.983 174.900 0.093 0.000 1.022 244 G CA 1.000 46.145 45.100 0.074 0.000 0.961 244 G HN 0.609 nan 8.290 nan 0.000 0.510 245 K N 0.005 120.492 120.400 0.145 0.000 2.435 245 K HA 0.554 4.874 4.320 0.001 0.000 0.251 245 K C -2.387 174.305 176.600 0.153 0.000 0.954 245 K CA -2.028 54.349 56.287 0.150 0.000 0.820 245 K CB 2.929 35.556 32.500 0.212 0.000 1.292 245 K HN 0.047 nan 8.250 nan 0.000 0.436 246 P HA 0.251 nan 4.420 nan 0.000 0.277 246 P C -1.250 176.124 177.300 0.123 0.000 1.271 246 P CA -0.610 62.542 63.100 0.086 0.000 0.795 246 P CB 0.672 32.398 31.700 0.043 0.000 1.101 247 L N 0.440 121.714 121.223 0.084 0.000 2.464 247 L HA 0.555 4.895 4.340 0.001 0.000 0.266 247 L C -1.670 175.215 176.870 0.026 0.000 0.965 247 L CA -0.894 54.002 54.840 0.092 0.000 0.833 247 L CB 1.770 43.883 42.059 0.091 0.000 1.296 247 L HN 0.138 nan 8.230 nan 0.000 0.405 248 L N 5.751 126.992 121.223 0.031 0.000 2.272 248 L HA 0.614 4.955 4.340 0.001 0.000 0.289 248 L C -0.918 175.960 176.870 0.014 0.000 1.032 248 L CA -0.243 54.594 54.840 -0.006 0.000 0.810 248 L CB 1.099 43.162 42.059 0.007 0.000 1.205 248 L HN 0.476 nan 8.230 nan 0.000 0.422 249 I N 6.845 127.407 120.570 -0.013 0.000 2.331 249 I HA 0.274 4.445 4.170 0.001 0.000 0.292 249 I C -0.052 176.085 176.117 0.034 0.000 0.998 249 I CA -0.161 61.147 61.300 0.013 0.000 1.267 249 I CB 1.050 39.054 38.000 0.006 0.000 1.386 249 I HN 0.552 nan 8.210 nan 0.000 0.476 250 I N 5.850 126.450 120.570 0.050 0.000 2.621 250 I HA 0.436 4.607 4.170 0.001 0.000 0.276 250 I C 0.386 176.519 176.117 0.026 0.000 1.118 250 I CA -0.153 61.185 61.300 0.063 0.000 1.159 250 I CB 1.003 39.055 38.000 0.086 0.000 1.357 250 I HN 0.664 nan 8.210 nan 0.000 0.513 251 A N 3.260 126.098 122.820 0.029 0.000 2.312 251 A HA 0.445 4.766 4.320 0.001 0.000 0.310 251 A C 1.183 178.778 177.584 0.018 0.000 1.139 251 A CA -0.429 51.619 52.037 0.019 0.000 0.886 251 A CB 1.019 20.035 19.000 0.026 0.000 1.350 251 A HN 0.645 nan 8.150 nan 0.000 0.479 252 E N -0.805 119.405 120.200 0.017 0.000 2.070 252 E HA -0.187 4.164 4.350 0.001 0.000 0.197 252 E C -0.144 176.479 176.600 0.039 0.000 1.004 252 E CA 1.907 58.321 56.400 0.024 0.000 0.805 252 E CB 0.119 29.834 29.700 0.025 0.000 0.744 252 E HN 0.612 nan 8.360 nan 0.000 0.451 253 D N -2.181 118.245 120.400 0.043 0.000 2.671 253 D HA 0.251 4.892 4.640 0.001 0.000 0.273 253 D C -1.901 174.434 176.300 0.060 0.000 1.264 253 D CA -0.537 53.496 54.000 0.055 0.000 0.788 253 D CB 2.078 42.909 40.800 0.052 0.000 1.324 253 D HN -0.102 nan 8.370 nan 0.000 0.424 254 V N 1.666 121.625 119.914 0.076 0.000 2.525 254 V HA 0.439 4.560 4.120 0.001 0.000 0.299 254 V C -0.319 175.827 176.094 0.087 0.000 1.034 254 V CA -0.637 61.713 62.300 0.083 0.000 0.863 254 V CB 1.753 33.638 31.823 0.104 0.000 0.999 254 V HN 0.409 nan 8.190 nan 0.000 0.423 255 E N 2.236 122.477 120.200 0.068 0.000 2.207 255 E HA 0.590 4.941 4.350 0.001 0.000 0.270 255 E C 1.100 177.732 176.600 0.054 0.000 0.927 255 E CA 0.125 56.560 56.400 0.058 0.000 0.799 255 E CB 2.173 31.899 29.700 0.044 0.000 1.172 255 E HN 0.808 nan 8.360 nan 0.000 0.404 256 G N 2.844 111.673 108.800 0.048 0.000 2.928 256 G HA2 -0.487 3.473 3.960 0.001 0.000 0.329 256 G HA3 -0.487 3.473 3.960 0.001 0.000 0.329 256 G C 1.206 176.129 174.900 0.038 0.000 1.006 256 G CA 1.288 46.411 45.100 0.039 0.000 0.883 256 G HN 0.712 nan 8.290 nan 0.000 0.946 257 E N 1.023 121.242 120.200 0.031 0.000 2.028 257 E HA -0.262 4.088 4.350 0.001 0.000 0.217 257 E C 3.011 179.632 176.600 0.036 0.000 1.039 257 E CA 2.481 58.898 56.400 0.028 0.000 0.882 257 E CB -0.838 28.877 29.700 0.024 0.000 0.794 257 E HN 0.777 nan 8.360 nan 0.000 0.488 258 A N 0.777 123.623 122.820 0.044 0.000 1.978 258 A HA -0.185 4.136 4.320 0.001 0.000 0.220 258 A C 2.215 179.847 177.584 0.080 0.000 1.170 258 A CA 1.573 53.643 52.037 0.055 0.000 0.636 258 A CB -0.590 18.443 19.000 0.055 0.000 0.810 258 A HN 0.366 nan 8.150 nan 0.000 0.448 259 L N -0.247 121.028 121.223 0.086 0.000 1.973 259 L HA 0.007 4.347 4.340 0.001 0.000 0.208 259 L C 2.673 179.588 176.870 0.076 0.000 1.073 259 L CA 2.342 57.253 54.840 0.117 0.000 0.746 259 L CB -0.952 41.175 42.059 0.113 0.000 0.891 259 L HN 0.297 nan 8.230 nan 0.000 0.433 260 A N -1.771 121.074 122.820 0.041 0.000 2.131 260 A HA -0.182 4.139 4.320 0.001 0.000 0.220 260 A C 2.111 179.695 177.584 -0.001 0.000 1.158 260 A CA 2.117 54.160 52.037 0.009 0.000 0.665 260 A CB -1.120 17.885 19.000 0.008 0.000 0.795 260 A HN 0.614 nan 8.150 nan 0.000 0.460 261 T N 0.166 114.735 114.554 0.024 0.000 2.735 261 T HA -0.012 4.339 4.350 0.001 0.000 0.256 261 T C 1.806 176.530 174.700 0.039 0.000 1.042 261 T CA 1.264 63.378 62.100 0.024 0.000 1.147 261 T CB -0.382 68.506 68.868 0.033 0.000 0.865 261 T HN 0.356 nan 8.240 nan 0.000 0.421 262 L N 1.134 122.410 121.223 0.088 0.000 2.127 262 L HA -0.106 4.234 4.340 0.001 0.000 0.211 262 L C 2.649 179.598 176.870 0.132 0.000 1.089 262 L CA 0.700 55.632 54.840 0.153 0.000 0.757 262 L CB -0.743 41.471 42.059 0.258 0.000 0.899 262 L HN 0.139 nan 8.230 nan 0.000 0.434 263 V N -0.662 119.254 119.914 0.002 0.000 2.255 263 V HA -0.264 3.856 4.120 0.001 0.000 0.247 263 V C 2.243 178.257 176.094 -0.134 0.000 1.051 263 V CA 1.802 63.991 62.300 -0.185 0.000 1.018 263 V CB -0.377 31.324 31.823 -0.203 0.000 0.641 263 V HN 0.240 nan 8.190 nan 0.000 0.445 264 V N 0.164 120.018 119.914 -0.100 0.000 3.141 264 V HA -0.138 3.983 4.120 0.001 0.000 0.265 264 V C 1.901 177.964 176.094 -0.051 0.000 1.126 264 V CA 1.561 63.801 62.300 -0.100 0.000 1.141 264 V CB -1.209 30.560 31.823 -0.091 0.000 0.743 264 V HN 0.594 nan 8.190 nan 0.000 0.492 265 N N 0.398 119.091 118.700 -0.011 0.000 2.376 265 N HA -0.101 4.640 4.740 0.001 0.000 0.177 265 N C 1.892 177.420 175.510 0.029 0.000 1.024 265 N CA 1.384 54.444 53.050 0.016 0.000 0.893 265 N CB 0.243 38.756 38.487 0.043 0.000 0.980 265 N HN 0.648 nan 8.380 nan 0.000 0.439 266 T N -2.304 112.274 114.554 0.041 0.000 3.040 266 T HA 0.131 4.481 4.350 0.001 0.000 0.250 266 T C 1.639 176.340 174.700 0.002 0.000 1.058 266 T CA -0.121 62.012 62.100 0.055 0.000 0.988 266 T CB 0.164 69.120 68.868 0.148 0.000 0.993 266 T HN -0.086 nan 8.240 nan 0.000 0.519 267 M N 2.190 121.759 119.600 -0.051 0.000 2.067 267 M HA 0.160 4.641 4.480 0.001 0.000 0.260 267 M C 2.130 178.391 176.300 -0.065 0.000 1.069 267 M CA 1.667 56.910 55.300 -0.095 0.000 1.117 267 M CB -0.161 32.338 32.600 -0.167 0.000 1.334 267 M HN 0.181 nan 8.290 nan 0.000 0.407 268 R N -0.466 120.003 120.500 -0.052 0.000 2.310 268 R HA 0.349 4.689 4.340 0.001 0.000 0.202 268 R C 0.838 177.127 176.300 -0.019 0.000 0.933 268 R CA 0.551 56.628 56.100 -0.038 0.000 1.054 268 R CB -0.436 29.842 30.300 -0.036 0.000 0.985 268 R HN 0.549 nan 8.270 nan 0.000 0.489 269 G N 1.746 110.541 108.800 -0.008 0.000 2.314 269 G HA2 -0.253 3.708 3.960 0.001 0.000 0.292 269 G HA3 -0.253 3.708 3.960 0.001 0.000 0.292 269 G C 0.507 175.413 174.900 0.010 0.000 1.059 269 G CA 0.221 45.325 45.100 0.007 0.000 0.982 269 G HN 0.362 nan 8.290 nan 0.000 0.505 270 I N -1.334 119.243 120.570 0.012 0.000 2.339 270 I HA 0.068 4.239 4.170 0.001 0.000 0.245 270 I C 0.886 177.016 176.117 0.022 0.000 1.096 270 I CA 1.102 62.409 61.300 0.012 0.000 1.408 270 I CB 0.035 38.040 38.000 0.008 0.000 1.092 270 I HN 0.136 nan 8.210 nan 0.000 0.423 271 V N 0.835 120.768 119.914 0.032 0.000 2.525 271 V HA 0.311 4.432 4.120 0.001 0.000 0.299 271 V C -0.656 175.474 176.094 0.060 0.000 1.034 271 V CA -1.163 61.163 62.300 0.043 0.000 0.863 271 V CB 1.380 33.228 31.823 0.041 0.000 0.999 271 V HN 0.051 nan 8.190 nan 0.000 0.423 272 K N 2.922 123.358 120.400 0.060 0.000 2.383 272 K HA 0.611 4.932 4.320 0.001 0.000 0.286 272 K C -0.574 176.071 176.600 0.074 0.000 1.051 272 K CA 0.216 56.548 56.287 0.074 0.000 0.974 272 K CB 1.031 33.566 32.500 0.059 0.000 0.968 272 K HN 0.577 nan 8.250 nan 0.000 0.475 273 V N 1.163 121.136 119.914 0.099 0.000 3.087 273 V HA 0.840 4.961 4.120 0.001 0.000 0.306 273 V C -1.182 174.848 176.094 -0.107 0.000 1.187 273 V CA -1.073 61.250 62.300 0.039 0.000 0.999 273 V CB 2.207 34.076 31.823 0.078 0.000 1.049 273 V HN 0.793 nan 8.190 nan 0.000 0.431 274 A N 1.812 124.417 122.820 -0.357 0.000 2.547 274 A HA 1.012 5.332 4.320 0.001 0.000 0.297 274 A C -0.862 176.335 177.584 -0.646 0.000 1.056 274 A CA -0.074 51.385 52.037 -0.963 0.000 0.688 274 A CB 1.936 20.586 19.000 -0.583 0.000 1.282 274 A HN 1.860 nan 8.150 nan 0.000 0.400 275 A N 0.768 123.120 122.820 -0.780 0.000 2.386 275 A HA 0.867 5.187 4.320 0.001 0.000 0.311 275 A C -0.524 177.018 177.584 -0.071 0.000 1.068 275 A CA -0.136 51.761 52.037 -0.234 0.000 0.743 275 A CB 1.397 20.358 19.000 -0.064 0.000 1.258 275 A HN 2.279 nan 8.150 nan 0.000 0.429 276 V N -0.547 119.384 119.914 0.028 0.000 2.888 276 V HA 0.583 4.704 4.120 0.001 0.000 0.309 276 V C -0.364 175.807 176.094 0.128 0.000 1.114 276 V CA -1.280 61.083 62.300 0.104 0.000 0.940 276 V CB 1.328 33.228 31.823 0.129 0.000 1.021 276 V HN 0.899 nan 8.190 nan 0.000 0.426 277 K N 1.941 122.416 120.400 0.126 0.000 2.397 277 K HA 0.523 4.844 4.320 0.001 0.000 0.265 277 K C 0.521 177.177 176.600 0.093 0.000 0.982 277 K CA 0.520 56.866 56.287 0.098 0.000 0.931 277 K CB 0.632 33.185 32.500 0.088 0.000 0.943 277 K HN 1.118 nan 8.250 nan 0.000 0.501 278 A N 3.186 126.011 122.820 0.009 0.000 2.304 278 A HA 0.330 4.651 4.320 0.001 0.000 0.271 278 A C -2.155 175.337 177.584 -0.154 0.000 1.091 278 A CA -1.400 50.562 52.037 -0.126 0.000 0.812 278 A CB -0.114 18.819 19.000 -0.112 0.000 1.056 278 A HN 0.472 nan 8.150 nan 0.000 0.489 279 P HA 0.381 nan 4.420 nan 0.000 0.271 279 P C 0.578 177.825 177.300 -0.090 0.000 1.216 279 P CA 1.438 64.394 63.100 -0.240 0.000 0.776 279 P CB 0.545 31.959 31.700 -0.477 0.000 0.881 280 G N 2.232 111.053 108.800 0.035 0.000 2.877 280 G HA2 -0.067 3.893 3.960 0.001 0.000 0.279 280 G HA3 -0.067 3.893 3.960 0.001 0.000 0.279 280 G C -0.852 174.147 174.900 0.165 0.000 1.431 280 G CA -0.172 44.982 45.100 0.089 0.000 0.883 280 G HN 0.690 nan 8.290 nan 0.000 0.547 281 F N -1.327 118.623 119.950 0.001 0.000 2.599 281 F HA 0.827 5.355 4.527 0.001 0.000 0.311 281 F C 1.024 176.829 175.800 0.008 0.000 1.076 281 F CA 0.047 58.049 58.000 0.004 0.000 0.937 281 F CB 1.282 40.289 39.000 0.013 0.000 1.282 281 F HN 2.371 nan 8.300 nan 0.000 0.460 282 G N 2.120 110.982 108.800 0.103 0.000 2.543 282 G HA2 -0.342 3.619 3.960 0.001 0.000 0.286 282 G HA3 -0.342 3.619 3.960 0.001 0.000 0.286 282 G C 0.377 175.247 174.900 -0.050 0.000 1.153 282 G CA 0.701 45.819 45.100 0.030 0.000 0.968 282 G HN 0.745 nan 8.290 nan 0.000 0.544 283 D N 1.272 121.621 120.400 -0.085 0.000 2.084 283 D HA -0.027 4.614 4.640 0.001 0.000 0.196 283 D C 2.531 178.772 176.300 -0.098 0.000 0.985 283 D CA 1.695 55.651 54.000 -0.074 0.000 0.826 283 D CB -0.330 40.434 40.800 -0.059 0.000 0.978 283 D HN 0.684 nan 8.370 nan 0.000 0.456 284 R N 0.732 121.139 120.500 -0.155 0.000 2.339 284 R HA 0.141 4.482 4.340 0.001 0.000 0.199 284 R C 1.980 178.198 176.300 -0.136 0.000 1.018 284 R CA 0.223 56.236 56.100 -0.146 0.000 1.036 284 R CB -0.202 29.998 30.300 -0.166 0.000 0.899 284 R HN 0.099 nan 8.270 nan 0.000 0.473 285 R N 2.273 122.699 120.500 -0.123 0.000 2.062 285 R HA -0.072 4.269 4.340 0.001 0.000 0.229 285 R C 1.270 177.521 176.300 -0.081 0.000 1.128 285 R CA 1.475 57.520 56.100 -0.091 0.000 0.960 285 R CB 0.033 30.305 30.300 -0.047 0.000 0.855 285 R HN 0.164 nan 8.270 nan 0.000 0.432 286 K N 0.208 120.570 120.400 -0.063 0.000 2.097 286 K HA -0.036 4.285 4.320 0.001 0.000 0.205 286 K C 2.127 178.694 176.600 -0.054 0.000 1.050 286 K CA 1.274 57.531 56.287 -0.051 0.000 0.938 286 K CB -0.115 32.364 32.500 -0.035 0.000 0.718 286 K HN 0.245 nan 8.250 nan 0.000 0.442 287 A N 1.342 124.126 122.820 -0.060 0.000 1.877 287 A HA -0.163 4.157 4.320 0.001 0.000 0.216 287 A C 2.136 179.679 177.584 -0.067 0.000 1.186 287 A CA 1.509 53.512 52.037 -0.058 0.000 0.620 287 A CB -0.423 18.541 19.000 -0.059 0.000 0.822 287 A HN 0.170 nan 8.150 nan 0.000 0.443 288 M N -1.051 118.497 119.600 -0.088 0.000 2.254 288 M HA -0.001 4.479 4.480 0.001 0.000 0.265 288 M C 2.204 178.426 176.300 -0.131 0.000 1.066 288 M CA 0.980 56.215 55.300 -0.108 0.000 1.123 288 M CB -0.330 32.189 32.600 -0.134 0.000 1.388 288 M HN 0.474 nan 8.290 nan 0.000 0.425 289 L N -0.008 121.141 121.223 -0.123 0.000 2.072 289 L HA -0.226 4.115 4.340 0.001 0.000 0.205 289 L C 2.570 179.398 176.870 -0.070 0.000 1.079 289 L CA 1.259 56.030 54.840 -0.115 0.000 0.752 289 L CB -0.265 41.739 42.059 -0.091 0.000 0.906 289 L HN 0.265 nan 8.230 nan 0.000 0.436 290 Q N 0.294 120.061 119.800 -0.055 0.000 2.181 290 Q HA -0.247 4.093 4.340 0.001 0.000 0.205 290 Q C 1.568 177.550 176.000 -0.030 0.000 0.980 290 Q CA 1.902 57.683 55.803 -0.035 0.000 0.862 290 Q CB -0.237 28.482 28.738 -0.032 0.000 0.905 290 Q HN 0.445 nan 8.270 nan 0.000 0.429 291 D N -0.676 119.701 120.400 -0.039 0.000 2.144 291 D HA -0.089 4.552 4.640 0.001 0.000 0.200 291 D C 1.682 177.975 176.300 -0.011 0.000 0.978 291 D CA 1.067 55.051 54.000 -0.026 0.000 0.833 291 D CB -0.045 40.736 40.800 -0.031 0.000 0.961 291 D HN 0.386 nan 8.370 nan 0.000 0.470 292 I N 0.548 121.108 120.570 -0.018 0.000 2.500 292 I HA -0.102 4.068 4.170 0.001 0.000 0.252 292 I C 2.361 178.488 176.117 0.017 0.000 1.142 292 I CA 0.384 61.692 61.300 0.013 0.000 1.451 292 I CB -0.209 37.798 38.000 0.013 0.000 1.093 292 I HN -0.094 nan 8.210 nan 0.000 0.430 293 A N 1.543 124.365 122.820 0.003 0.000 1.849 293 A HA -0.257 4.064 4.320 0.001 0.000 0.217 293 A C 2.415 180.005 177.584 0.010 0.000 1.202 293 A CA 2.925 54.967 52.037 0.008 0.000 0.629 293 A CB -1.364 17.636 19.000 -0.000 0.000 0.834 293 A HN 0.388 nan 8.150 nan 0.000 0.447 294 T N 0.507 115.063 114.554 0.004 0.000 2.685 294 T HA -0.202 4.149 4.350 0.001 0.000 0.268 294 T C 1.789 176.494 174.700 0.008 0.000 1.034 294 T CA 1.453 63.555 62.100 0.004 0.000 1.149 294 T CB -0.421 68.446 68.868 -0.002 0.000 0.860 294 T HN 0.289 nan 8.240 nan 0.000 0.449 295 L N 1.615 122.845 121.223 0.011 0.000 2.093 295 L HA -0.058 4.283 4.340 0.001 0.000 0.208 295 L C 2.341 179.220 176.870 0.015 0.000 1.085 295 L CA 2.303 57.152 54.840 0.015 0.000 0.755 295 L CB -1.137 40.937 42.059 0.025 0.000 0.904 295 L HN 0.518 nan 8.230 nan 0.000 0.435 296 T N -4.439 110.127 114.554 0.020 0.000 3.092 296 T HA 0.257 4.607 4.350 0.001 0.000 0.258 296 T C 1.188 175.902 174.700 0.022 0.000 1.031 296 T CA 0.315 62.427 62.100 0.019 0.000 0.925 296 T CB 0.043 68.929 68.868 0.030 0.000 1.036 296 T HN 0.475 nan 8.240 nan 0.000 0.544 297 G N 0.730 109.542 108.800 0.020 0.000 2.305 297 G HA2 -0.010 3.951 3.960 0.001 0.000 0.287 297 G HA3 -0.010 3.951 3.960 0.001 0.000 0.287 297 G C 0.379 175.298 174.900 0.032 0.000 1.036 297 G CA -0.096 45.017 45.100 0.022 0.000 0.887 297 G HN 1.048 nan 8.290 nan 0.000 0.505 298 G N -1.513 107.307 108.800 0.033 0.000 2.491 298 G HA2 0.723 4.684 3.960 0.001 0.000 0.327 298 G HA3 0.723 4.684 3.960 0.001 0.000 0.327 298 G C -0.225 174.690 174.900 0.025 0.000 1.189 298 G CA 0.124 45.247 45.100 0.039 0.000 0.956 298 G HN 0.532 nan 8.290 nan 0.000 0.491 299 T N 0.263 114.831 114.554 0.024 0.000 2.794 299 T HA 0.423 4.774 4.350 0.001 0.000 0.280 299 T C 0.057 174.762 174.700 0.009 0.000 0.987 299 T CA -0.286 61.822 62.100 0.013 0.000 0.993 299 T CB 1.701 70.576 68.868 0.011 0.000 0.939 299 T HN 0.290 nan 8.240 nan 0.000 0.449 300 V N 4.663 124.579 119.914 0.003 0.000 2.530 300 V HA 0.282 4.403 4.120 0.001 0.000 0.282 300 V C 0.440 176.533 176.094 -0.001 0.000 1.048 300 V CA -0.488 61.811 62.300 -0.001 0.000 0.997 300 V CB 0.670 32.487 31.823 -0.009 0.000 0.987 300 V HN 0.784 nan 8.190 nan 0.000 0.477 301 I N 4.996 125.566 120.570 0.000 0.000 2.268 301 I HA 0.197 4.368 4.170 0.001 0.000 0.290 301 I C 0.301 176.418 176.117 -0.001 0.000 1.125 301 I CA 0.076 61.376 61.300 0.000 0.000 1.236 301 I CB 0.343 38.344 38.000 0.002 0.000 1.469 301 I HN 0.617 nan 8.210 nan 0.000 0.512 302 S N 3.536 119.235 115.700 -0.002 0.000 2.422 302 S HA 0.256 4.727 4.470 0.001 0.000 0.298 302 S C 0.882 175.481 174.600 -0.001 0.000 1.118 302 S CA -0.818 57.381 58.200 -0.003 0.000 1.083 302 S CB 1.827 65.024 63.200 -0.005 0.000 0.971 302 S HN 0.532 nan 8.310 nan 0.000 0.478 303 E N 2.061 122.262 120.200 0.001 0.000 2.273 303 E HA -0.204 4.146 4.350 0.001 0.000 0.198 303 E C 0.732 177.333 176.600 0.002 0.000 1.002 303 E CA 1.156 57.558 56.400 0.002 0.000 0.828 303 E CB -0.006 29.696 29.700 0.005 0.000 0.747 303 E HN 0.800 nan 8.360 nan 0.000 0.491 304 E N -0.406 119.794 120.200 0.001 0.000 2.512 304 E HA -0.033 4.318 4.350 0.001 0.000 0.195 304 E C 1.077 177.676 176.600 -0.001 0.000 1.083 304 E CA 0.271 56.671 56.400 0.000 0.000 0.873 304 E CB 0.187 29.887 29.700 -0.000 0.000 0.897 304 E HN 0.342 nan 8.360 nan 0.000 0.514 305 I N -1.359 119.211 120.570 -0.001 0.000 4.439 305 I HA 0.261 4.432 4.170 0.001 0.000 0.331 305 I C 1.005 177.122 176.117 -0.001 0.000 1.345 305 I CA -0.126 61.173 61.300 -0.001 0.000 1.193 305 I CB 1.254 39.253 38.000 -0.002 0.000 1.221 305 I HN 0.108 nan 8.210 nan 0.000 0.429 306 G N 2.386 111.186 108.800 -0.000 0.000 2.167 306 G HA2 -0.186 3.775 3.960 0.001 0.000 0.194 306 G HA3 -0.186 3.775 3.960 0.001 0.000 0.194 306 G C -0.081 174.819 174.900 -0.000 0.000 1.027 306 G CA -0.345 44.756 45.100 0.000 0.000 0.717 306 G HN 0.260 nan 8.290 nan 0.000 0.501 307 M N 0.471 120.071 119.600 -0.000 0.000 2.181 307 M HA 0.630 5.111 4.480 0.001 0.000 0.323 307 M C -0.044 176.256 176.300 -0.000 0.000 1.004 307 M CA -0.685 54.615 55.300 -0.001 0.000 0.941 307 M CB 1.579 34.178 32.600 -0.001 0.000 1.579 307 M HN 0.166 nan 8.290 nan 0.000 0.427 308 E N 2.223 122.423 120.200 -0.001 0.000 2.314 308 E HA 0.330 4.681 4.350 0.001 0.000 0.262 308 E C 0.322 176.922 176.600 -0.001 0.000 1.093 308 E CA -0.621 55.779 56.400 0.000 0.000 0.908 308 E CB 1.474 31.174 29.700 0.000 0.000 1.091 308 E HN 0.698 nan 8.360 nan 0.000 0.425 309 L N 0.978 122.201 121.223 -0.000 0.000 2.478 309 L HA -0.069 4.271 4.340 0.001 0.000 0.223 309 L C 1.508 178.375 176.870 -0.006 0.000 1.140 309 L CA 0.645 55.483 54.840 -0.002 0.000 0.842 309 L CB -0.319 41.742 42.059 0.002 0.000 0.953 309 L HN 0.515 nan 8.230 nan 0.000 0.452 310 E N 1.015 121.212 120.200 -0.005 0.000 2.204 310 E HA -0.125 4.226 4.350 0.001 0.000 0.194 310 E C 0.312 176.906 176.600 -0.010 0.000 0.989 310 E CA 0.917 57.313 56.400 -0.007 0.000 0.824 310 E CB 0.030 29.727 29.700 -0.004 0.000 0.756 310 E HN 0.361 nan 8.360 nan 0.000 0.477 311 K N 0.496 120.891 120.400 -0.009 0.000 2.457 311 K HA 0.585 4.906 4.320 0.001 0.000 0.226 311 K C -1.067 175.525 176.600 -0.013 0.000 1.114 311 K CA -0.235 56.045 56.287 -0.011 0.000 1.089 311 K CB 1.522 34.017 32.500 -0.007 0.000 1.739 311 K HN -0.040 nan 8.250 nan 0.000 0.473 312 A N 1.201 124.010 122.820 -0.019 0.000 2.466 312 A HA 0.501 4.822 4.320 0.001 0.000 0.284 312 A C -0.266 177.294 177.584 -0.039 0.000 1.049 312 A CA -0.778 51.244 52.037 -0.024 0.000 0.760 312 A CB 0.766 19.754 19.000 -0.020 0.000 1.274 312 A HN 0.408 nan 8.150 nan 0.000 0.412 313 T N 0.185 114.713 114.554 -0.043 0.000 2.923 313 T HA 0.575 4.926 4.350 0.001 0.000 0.281 313 T C 1.423 176.069 174.700 -0.089 0.000 0.995 313 T CA -0.689 61.371 62.100 -0.067 0.000 0.985 313 T CB 0.501 69.337 68.868 -0.053 0.000 1.114 313 T HN 0.388 nan 8.240 nan 0.000 0.548 314 L N 0.072 121.206 121.223 -0.148 0.000 2.034 314 L HA -0.215 4.126 4.340 0.001 0.000 0.217 314 L C 2.946 179.775 176.870 -0.067 0.000 1.077 314 L CA 2.023 56.728 54.840 -0.226 0.000 0.769 314 L CB -0.732 41.135 42.059 -0.321 0.000 0.890 314 L HN 0.875 nan 8.230 nan 0.000 0.435 315 E N -0.206 119.980 120.200 -0.023 0.000 2.284 315 E HA -0.271 4.080 4.350 0.001 0.000 0.200 315 E C 1.437 178.052 176.600 0.026 0.000 1.008 315 E CA 1.371 57.782 56.400 0.019 0.000 0.829 315 E CB 0.086 29.791 29.700 0.008 0.000 0.744 315 E HN 0.521 nan 8.360 nan 0.000 0.491 316 D N -0.441 119.965 120.400 0.010 0.000 2.216 316 D HA -0.042 4.599 4.640 0.001 0.000 0.208 316 D C 0.177 176.501 176.300 0.039 0.000 0.960 316 D CA 0.161 54.171 54.000 0.017 0.000 0.861 316 D CB 0.084 40.884 40.800 0.001 0.000 0.985 316 D HN 0.095 nan 8.370 nan 0.000 0.493 317 L N 1.539 122.793 121.223 0.052 0.000 2.490 317 L HA 0.205 4.546 4.340 0.001 0.000 0.274 317 L C 1.468 178.432 176.870 0.157 0.000 1.201 317 L CA 0.126 55.031 54.840 0.108 0.000 0.869 317 L CB 0.270 42.410 42.059 0.136 0.000 1.123 317 L HN -0.131 nan 8.230 nan 0.000 0.484 318 G N 2.617 111.489 108.800 0.120 0.000 2.651 318 G HA2 0.377 4.337 3.960 0.001 0.000 0.260 318 G HA3 0.377 4.337 3.960 0.001 0.000 0.260 318 G C -0.695 174.262 174.900 0.096 0.000 1.216 318 G CA -0.267 44.889 45.100 0.092 0.000 0.913 318 G HN 0.608 nan 8.290 nan 0.000 0.535 319 Q N -1.285 118.530 119.800 0.026 0.000 2.281 319 Q HA 0.545 4.886 4.340 0.001 0.000 0.263 319 Q C -1.123 174.839 176.000 -0.063 0.000 0.989 319 Q CA -0.664 55.102 55.803 -0.061 0.000 0.852 319 Q CB 1.915 30.580 28.738 -0.123 0.000 1.337 319 Q HN 0.923 nan 8.270 nan 0.000 0.418 320 A N 2.783 125.554 122.820 -0.081 0.000 2.498 320 A HA 0.467 4.787 4.320 0.001 0.000 0.298 320 A C -0.370 177.168 177.584 -0.077 0.000 1.075 320 A CA -0.605 51.396 52.037 -0.060 0.000 0.714 320 A CB 1.742 20.724 19.000 -0.031 0.000 1.299 320 A HN 0.818 nan 8.150 nan 0.000 0.407 321 K N -0.597 119.766 120.400 -0.062 0.000 2.366 321 K HA 0.072 4.393 4.320 0.001 0.000 0.198 321 K C 0.513 177.079 176.600 -0.056 0.000 1.044 321 K CA 1.004 57.253 56.287 -0.064 0.000 0.973 321 K CB 0.111 32.581 32.500 -0.050 0.000 0.767 321 K HN 0.579 nan 8.250 nan 0.000 0.475 322 R N -0.796 119.675 120.500 -0.049 0.000 2.690 322 R HA 0.239 4.579 4.340 0.001 0.000 0.269 322 R C -2.007 174.268 176.300 -0.042 0.000 1.037 322 R CA -0.675 55.399 56.100 -0.043 0.000 0.877 322 R CB 2.075 32.352 30.300 -0.038 0.000 1.255 322 R HN -0.080 nan 8.270 nan 0.000 0.467 323 V N -0.752 119.137 119.914 -0.041 0.000 2.932 323 V HA 0.783 4.904 4.120 0.001 0.000 0.307 323 V C -1.384 174.682 176.094 -0.047 0.000 1.147 323 V CA -0.791 61.480 62.300 -0.049 0.000 0.951 323 V CB 2.116 33.912 31.823 -0.045 0.000 1.031 323 V HN 0.408 nan 8.190 nan 0.000 0.426 324 V N 5.633 125.510 119.914 -0.062 0.000 2.525 324 V HA 0.613 4.734 4.120 0.001 0.000 0.299 324 V C -0.231 175.828 176.094 -0.057 0.000 1.034 324 V CA -0.363 61.910 62.300 -0.044 0.000 0.863 324 V CB 1.669 33.467 31.823 -0.043 0.000 0.999 324 V HN 0.988 nan 8.190 nan 0.000 0.423 325 I N 1.695 122.260 120.570 -0.009 0.000 2.693 325 I HA 0.746 4.916 4.170 0.001 0.000 0.303 325 I C -0.803 175.367 176.117 0.088 0.000 1.025 325 I CA -0.568 60.735 61.300 0.004 0.000 1.086 325 I CB 2.420 40.433 38.000 0.021 0.000 1.268 325 I HN 0.411 nan 8.210 nan 0.000 0.440 326 N N 2.973 121.671 118.700 -0.004 0.000 2.815 326 N HA 0.306 5.047 4.740 0.001 0.000 0.315 326 N C 0.619 175.878 175.510 -0.418 0.000 1.320 326 N CA -0.777 52.251 53.050 -0.036 0.000 0.846 326 N CB 1.169 39.611 38.487 -0.074 0.000 1.344 326 N HN 0.664 nan 8.380 nan 0.000 0.593 327 K N -0.006 120.137 120.400 -0.429 0.000 2.107 327 K HA -0.233 4.088 4.320 0.001 0.000 0.211 327 K C -0.393 175.907 176.600 -0.501 0.000 1.049 327 K CA 2.598 58.509 56.287 -0.628 0.000 0.927 327 K CB -0.011 32.367 32.500 -0.202 0.000 0.714 327 K HN 0.683 nan 8.250 nan 0.000 0.452 328 D N -2.198 118.037 120.400 -0.274 0.000 2.615 328 D HA 0.089 4.730 4.640 0.001 0.000 0.274 328 D C -0.979 175.255 176.300 -0.110 0.000 1.512 328 D CA -0.421 53.482 54.000 -0.163 0.000 0.803 328 D CB 0.876 41.618 40.800 -0.096 0.000 1.182 328 D HN -0.073 nan 8.370 nan 0.000 0.473 329 T N -0.122 114.350 114.554 -0.136 0.000 2.921 329 T HA 0.592 4.943 4.350 0.001 0.000 0.297 329 T C -0.681 173.885 174.700 -0.223 0.000 1.013 329 T CA -0.556 61.454 62.100 -0.150 0.000 0.990 329 T CB 2.080 70.880 68.868 -0.114 0.000 1.023 329 T HN -0.151 nan 8.240 nan 0.000 0.447 330 T N 2.610 116.915 114.554 -0.415 0.000 2.771 330 T HA 0.667 5.017 4.350 0.001 0.000 0.281 330 T C -0.101 174.244 174.700 -0.592 0.000 0.982 330 T CA -0.556 61.206 62.100 -0.564 0.000 0.978 330 T CB 1.330 69.640 68.868 -0.930 0.000 0.930 330 T HN 0.725 nan 8.240 nan 0.000 0.447 331 T N 3.280 117.633 114.554 -0.335 0.000 2.881 331 T HA 0.651 5.002 4.350 0.001 0.000 0.291 331 T C -0.790 173.823 174.700 -0.144 0.000 0.990 331 T CA -0.705 61.258 62.100 -0.228 0.000 0.976 331 T CB 0.226 69.006 68.868 -0.147 0.000 0.970 331 T HN 0.459 nan 8.240 nan 0.000 0.438 332 I N 5.666 126.177 120.570 -0.098 0.000 2.321 332 I HA 0.473 4.644 4.170 0.001 0.000 0.291 332 I C -0.365 175.734 176.117 -0.030 0.000 0.998 332 I CA -0.856 60.419 61.300 -0.042 0.000 1.227 332 I CB 1.417 39.426 38.000 0.015 0.000 1.368 332 I HN 0.598 nan 8.210 nan 0.000 0.466 333 I N 5.988 126.538 120.570 -0.033 0.000 2.355 333 I HA 0.285 4.455 4.170 0.001 0.000 0.288 333 I C -0.630 175.471 176.117 -0.027 0.000 0.999 333 I CA -0.511 60.771 61.300 -0.030 0.000 1.163 333 I CB 1.278 39.257 38.000 -0.036 0.000 1.316 333 I HN 0.552 nan 8.210 nan 0.000 0.454 334 D N 5.111 125.498 120.400 -0.022 0.000 4.353 334 D HA -0.119 4.522 4.640 0.001 0.000 0.242 334 D C -0.126 176.160 176.300 -0.023 0.000 1.063 334 D CA 0.862 54.849 54.000 -0.022 0.000 1.224 334 D CB -0.088 40.697 40.800 -0.026 0.000 0.831 334 D HN 0.820 nan 8.370 nan 0.000 0.405 335 G N 1.666 110.458 108.800 -0.014 0.000 2.332 335 G HA2 0.476 4.437 3.960 0.001 0.000 0.310 335 G HA3 0.476 4.437 3.960 0.001 0.000 0.310 335 G C 1.365 176.257 174.900 -0.013 0.000 1.123 335 G CA -0.366 44.728 45.100 -0.011 0.000 0.873 335 G HN 0.360 nan 8.290 nan 0.000 0.460 336 V N 2.717 122.620 119.914 -0.019 0.000 2.759 336 V HA 0.010 4.131 4.120 0.001 0.000 0.256 336 V C 2.132 178.222 176.094 -0.006 0.000 1.080 336 V CA 0.838 63.127 62.300 -0.017 0.000 1.101 336 V CB -1.249 30.557 31.823 -0.028 0.000 0.698 336 V HN 0.772 nan 8.190 nan 0.000 0.477 337 G N 1.228 110.028 108.800 0.000 0.000 2.178 337 G HA2 0.054 4.014 3.960 0.001 0.000 0.244 337 G HA3 0.054 4.014 3.960 0.001 0.000 0.244 337 G C -0.024 174.877 174.900 0.002 0.000 1.213 337 G CA -0.114 44.989 45.100 0.005 0.000 0.912 337 G HN 0.550 nan 8.290 nan 0.000 0.474 338 E N 1.631 121.832 120.200 0.002 0.000 2.374 338 E HA 0.069 4.420 4.350 0.001 0.000 0.260 338 E C 0.830 177.429 176.600 -0.000 0.000 1.101 338 E CA -0.466 55.934 56.400 0.000 0.000 0.907 338 E CB 1.265 30.965 29.700 0.001 0.000 1.014 338 E HN 0.604 nan 8.360 nan 0.000 0.427 339 E N 1.177 121.376 120.200 -0.001 0.000 2.150 339 E HA -0.196 4.154 4.350 0.001 0.000 0.193 339 E C 1.893 178.492 176.600 -0.002 0.000 0.985 339 E CA 0.867 57.266 56.400 -0.002 0.000 0.814 339 E CB -0.104 29.594 29.700 -0.003 0.000 0.752 339 E HN 0.593 nan 8.360 nan 0.000 0.466 340 A N 1.927 124.746 122.820 -0.001 0.000 1.927 340 A HA -0.226 4.095 4.320 0.001 0.000 0.220 340 A C 2.427 180.011 177.584 -0.001 0.000 1.185 340 A CA 2.285 54.321 52.037 -0.001 0.000 0.639 340 A CB -0.568 18.432 19.000 -0.000 0.000 0.820 340 A HN 0.311 nan 8.150 nan 0.000 0.451 341 A N -0.609 122.211 122.820 -0.001 0.000 1.855 341 A HA 0.096 4.417 4.320 0.001 0.000 0.213 341 A C 2.127 179.710 177.584 -0.002 0.000 1.195 341 A CA 1.253 53.289 52.037 -0.001 0.000 0.610 341 A CB -0.538 18.462 19.000 0.001 0.000 0.837 341 A HN 0.450 nan 8.150 nan 0.000 0.444 342 I N -0.654 119.915 120.570 -0.001 0.000 2.226 342 I HA -0.256 3.915 4.170 0.001 0.000 0.245 342 I C 2.753 178.869 176.117 -0.003 0.000 1.100 342 I CA 1.268 62.567 61.300 -0.002 0.000 1.374 342 I CB -0.186 37.814 38.000 -0.001 0.000 1.057 342 I HN 0.257 nan 8.210 nan 0.000 0.413 343 Q N 0.833 120.631 119.800 -0.003 0.000 2.046 343 Q HA -0.098 4.243 4.340 0.001 0.000 0.200 343 Q C 2.282 178.279 176.000 -0.005 0.000 0.975 343 Q CA 1.849 57.650 55.803 -0.004 0.000 0.836 343 Q CB -1.043 27.693 28.738 -0.004 0.000 0.896 343 Q HN 0.519 nan 8.270 nan 0.000 0.428 344 G N 0.137 108.934 108.800 -0.004 0.000 2.469 344 G HA2 -0.345 3.616 3.960 0.001 0.000 0.220 344 G HA3 -0.345 3.616 3.960 0.001 0.000 0.220 344 G C 1.639 176.535 174.900 -0.006 0.000 1.136 344 G CA 1.173 46.270 45.100 -0.005 0.000 0.759 344 G HN 0.317 nan 8.290 nan 0.000 0.562 345 R N 0.018 120.514 120.500 -0.007 0.000 2.075 345 R HA 0.019 4.359 4.340 0.001 0.000 0.232 345 R C 2.626 178.920 176.300 -0.011 0.000 1.126 345 R CA 1.341 57.435 56.100 -0.009 0.000 0.963 345 R CB -0.662 29.633 30.300 -0.009 0.000 0.858 345 R HN 0.225 nan 8.270 nan 0.000 0.435 346 V N 0.777 120.685 119.914 -0.009 0.000 2.407 346 V HA -0.195 3.926 4.120 0.001 0.000 0.248 346 V C 2.347 178.435 176.094 -0.011 0.000 1.055 346 V CA 1.874 64.168 62.300 -0.010 0.000 1.049 346 V CB -0.940 30.878 31.823 -0.008 0.000 0.662 346 V HN 0.528 nan 8.190 nan 0.000 0.455 347 A N -0.858 121.957 122.820 -0.009 0.000 1.933 347 A HA -0.264 4.057 4.320 0.001 0.000 0.218 347 A C 2.210 179.788 177.584 -0.010 0.000 1.175 347 A CA 1.837 53.869 52.037 -0.009 0.000 0.628 347 A CB -0.402 18.594 19.000 -0.007 0.000 0.814 347 A HN 0.627 nan 8.150 nan 0.000 0.444 348 Q N -0.485 119.309 119.800 -0.010 0.000 1.990 348 Q HA -0.091 4.249 4.340 0.001 0.000 0.200 348 Q C 2.090 178.082 176.000 -0.014 0.000 0.980 348 Q CA 1.632 57.428 55.803 -0.012 0.000 0.832 348 Q CB -0.303 28.428 28.738 -0.012 0.000 0.897 348 Q HN 0.726 nan 8.270 nan 0.000 0.427 349 I N 0.212 120.773 120.570 -0.016 0.000 2.226 349 I HA -0.276 3.895 4.170 0.001 0.000 0.245 349 I C 2.472 178.577 176.117 -0.020 0.000 1.100 349 I CA 0.849 62.137 61.300 -0.021 0.000 1.374 349 I CB -0.256 37.730 38.000 -0.023 0.000 1.057 349 I HN 0.150 nan 8.210 nan 0.000 0.413 350 R N 0.991 121.482 120.500 -0.016 0.000 2.136 350 R HA -0.267 4.074 4.340 0.001 0.000 0.242 350 R C 2.358 178.650 176.300 -0.014 0.000 1.131 350 R CA 2.083 58.174 56.100 -0.015 0.000 0.937 350 R CB -0.398 29.895 30.300 -0.012 0.000 0.863 350 R HN 0.379 nan 8.270 nan 0.000 0.435 351 Q N -0.435 119.357 119.800 -0.012 0.000 2.181 351 Q HA -0.219 4.122 4.340 0.001 0.000 0.205 351 Q C 2.124 178.117 176.000 -0.012 0.000 0.980 351 Q CA 1.597 57.393 55.803 -0.011 0.000 0.862 351 Q CB 0.000 28.733 28.738 -0.010 0.000 0.905 351 Q HN 0.532 nan 8.270 nan 0.000 0.429 352 Q N 0.087 119.878 119.800 -0.015 0.000 2.181 352 Q HA -0.163 4.177 4.340 0.001 0.000 0.205 352 Q C 2.027 178.017 176.000 -0.017 0.000 0.980 352 Q CA 1.021 56.814 55.803 -0.017 0.000 0.862 352 Q CB -0.225 28.500 28.738 -0.021 0.000 0.905 352 Q HN 0.508 nan 8.270 nan 0.000 0.429 353 I N 1.202 121.761 120.570 -0.019 0.000 2.493 353 I HA -0.223 3.948 4.170 0.001 0.000 0.254 353 I C 1.981 178.091 176.117 -0.013 0.000 1.160 353 I CA 0.784 62.073 61.300 -0.018 0.000 1.445 353 I CB -0.287 37.701 38.000 -0.020 0.000 1.086 353 I HN 0.061 nan 8.210 nan 0.000 0.433 354 E N 1.557 121.751 120.200 -0.010 0.000 2.072 354 E HA -0.164 4.186 4.350 0.001 0.000 0.190 354 E C 1.211 177.808 176.600 -0.006 0.000 0.982 354 E CA 1.048 57.444 56.400 -0.007 0.000 0.803 354 E CB -0.517 29.179 29.700 -0.007 0.000 0.755 354 E HN 0.610 nan 8.360 nan 0.000 0.453 355 E N 1.103 121.299 120.200 -0.006 0.000 2.303 355 E HA 0.342 4.693 4.350 0.001 0.000 0.211 355 E C -0.339 176.259 176.600 -0.004 0.000 1.223 355 E CA -0.163 56.234 56.400 -0.005 0.000 1.344 355 E CB 0.267 29.964 29.700 -0.005 0.000 1.299 355 E HN 0.088 nan 8.360 nan 0.000 0.441 356 A N 0.954 123.772 122.820 -0.004 0.000 2.274 356 A HA 0.331 4.652 4.320 0.001 0.000 0.309 356 A C 1.007 178.593 177.584 0.004 0.000 1.226 356 A CA -0.629 51.407 52.037 -0.001 0.000 0.853 356 A CB 0.485 19.482 19.000 -0.006 0.000 1.146 356 A HN 0.248 nan 8.150 nan 0.000 0.518 357 T N -1.100 113.459 114.554 0.009 0.000 3.010 357 T HA 0.295 4.645 4.350 0.001 0.000 0.257 357 T C 0.744 175.455 174.700 0.019 0.000 1.020 357 T CA 0.581 62.688 62.100 0.011 0.000 0.938 357 T CB -0.062 68.812 68.868 0.010 0.000 1.049 357 T HN 0.730 nan 8.240 nan 0.000 0.522 358 S N -0.308 115.408 115.700 0.027 0.000 2.600 358 S HA 0.403 4.874 4.470 0.001 0.000 0.300 358 S C 0.027 174.654 174.600 0.046 0.000 1.087 358 S CA -0.643 57.583 58.200 0.043 0.000 0.965 358 S CB 1.723 64.961 63.200 0.063 0.000 1.089 358 S HN 0.083 nan 8.310 nan 0.000 0.496 359 D N 0.936 121.372 120.400 0.060 0.000 2.162 359 D HA -0.046 4.594 4.640 0.001 0.000 0.203 359 D C 1.237 177.577 176.300 0.067 0.000 0.967 359 D CA 1.069 55.101 54.000 0.052 0.000 0.840 359 D CB -0.137 40.694 40.800 0.052 0.000 0.972 359 D HN 0.714 nan 8.370 nan 0.000 0.482 360 Y N 2.056 122.354 120.300 -0.003 0.000 2.293 360 Y HA -0.147 4.404 4.550 0.001 0.000 0.291 360 Y C 1.733 177.624 175.900 -0.015 0.000 1.137 360 Y CA 1.372 59.469 58.100 -0.005 0.000 1.202 360 Y CB 0.101 38.560 38.460 -0.002 0.000 0.990 360 Y HN -0.130 nan 8.280 nan 0.000 0.537 361 D N -0.459 119.987 120.400 0.078 0.000 2.312 361 D HA -0.109 4.532 4.640 0.001 0.000 0.211 361 D C 1.956 178.217 176.300 -0.066 0.000 0.964 361 D CA 0.649 54.648 54.000 -0.002 0.000 0.877 361 D CB 0.026 40.850 40.800 0.040 0.000 0.924 361 D HN 0.424 nan 8.370 nan 0.000 0.515 362 R N 0.882 121.346 120.500 -0.060 0.000 2.054 362 R HA -0.071 4.270 4.340 0.001 0.000 0.223 362 R C 2.328 178.567 176.300 -0.100 0.000 1.176 362 R CA 0.858 56.921 56.100 -0.062 0.000 0.934 362 R CB 0.089 30.370 30.300 -0.032 0.000 0.828 362 R HN 0.087 nan 8.270 nan 0.000 0.441 363 E N 0.969 121.097 120.200 -0.121 0.000 2.147 363 E HA -0.259 4.092 4.350 0.001 0.000 0.199 363 E C 1.648 178.143 176.600 -0.176 0.000 1.005 363 E CA 1.077 57.397 56.400 -0.133 0.000 0.810 363 E CB -0.212 29.410 29.700 -0.131 0.000 0.736 363 E HN 0.160 nan 8.360 nan 0.000 0.460 364 K N 0.716 120.949 120.400 -0.278 0.000 2.209 364 K HA -0.001 4.320 4.320 0.001 0.000 0.204 364 K C 2.261 178.767 176.600 -0.157 0.000 1.048 364 K CA 0.640 56.763 56.287 -0.273 0.000 0.940 364 K CB -0.204 32.060 32.500 -0.392 0.000 0.729 364 K HN 0.292 nan 8.250 nan 0.000 0.451 365 L N -0.105 121.045 121.223 -0.122 0.000 2.307 365 L HA -0.036 4.305 4.340 0.001 0.000 0.211 365 L C 2.112 178.945 176.870 -0.063 0.000 1.099 365 L CA 0.609 55.401 54.840 -0.080 0.000 0.816 365 L CB -0.156 41.865 42.059 -0.063 0.000 0.952 365 L HN 0.099 nan 8.230 nan 0.000 0.455 366 Q N -0.046 119.715 119.800 -0.065 0.000 2.331 366 Q HA -0.122 4.219 4.340 0.001 0.000 0.203 366 Q C 1.803 177.778 176.000 -0.043 0.000 0.944 366 Q CA 0.759 56.534 55.803 -0.047 0.000 0.892 366 Q CB 0.231 28.944 28.738 -0.042 0.000 0.983 366 Q HN 0.424 nan 8.270 nan 0.000 0.482 367 E N 0.022 120.188 120.200 -0.056 0.000 2.274 367 E HA -0.101 4.250 4.350 0.001 0.000 0.194 367 E C 1.792 178.372 176.600 -0.032 0.000 0.996 367 E CA 0.433 56.808 56.400 -0.042 0.000 0.840 367 E CB 0.212 29.880 29.700 -0.053 0.000 0.772 367 E HN 0.171 nan 8.360 nan 0.000 0.491 368 R N 0.224 120.699 120.500 -0.042 0.000 2.066 368 R HA -0.063 4.277 4.340 0.001 0.000 0.224 368 R C 2.614 178.900 176.300 -0.023 0.000 1.122 368 R CA 1.165 57.245 56.100 -0.034 0.000 0.974 368 R CB -0.195 30.076 30.300 -0.047 0.000 0.871 368 R HN 0.178 nan 8.270 nan 0.000 0.435 369 V N -1.048 118.850 119.914 -0.026 0.000 2.392 369 V HA -0.160 3.961 4.120 0.001 0.000 0.249 369 V C 2.162 178.249 176.094 -0.013 0.000 1.059 369 V CA 1.847 64.136 62.300 -0.019 0.000 1.051 369 V CB -0.942 30.869 31.823 -0.020 0.000 0.658 369 V HN 0.248 nan 8.190 nan 0.000 0.455 370 A N 0.828 123.640 122.820 -0.013 0.000 1.828 370 A HA -0.183 4.138 4.320 0.001 0.000 0.215 370 A C 2.295 179.879 177.584 0.000 0.000 1.203 370 A CA 2.237 54.270 52.037 -0.007 0.000 0.614 370 A CB -0.874 18.121 19.000 -0.009 0.000 0.844 370 A HN 0.540 nan 8.150 nan 0.000 0.445 371 K N -1.176 119.227 120.400 0.006 0.000 2.107 371 K HA -0.217 4.104 4.320 0.001 0.000 0.211 371 K C 1.870 178.481 176.600 0.018 0.000 1.049 371 K CA 1.805 58.104 56.287 0.020 0.000 0.927 371 K CB -0.348 32.174 32.500 0.037 0.000 0.714 371 K HN 0.375 nan 8.250 nan 0.000 0.452 372 L N -0.235 120.993 121.223 0.009 0.000 2.034 372 L HA 0.017 4.358 4.340 0.001 0.000 0.203 372 L C 2.033 178.905 176.870 0.003 0.000 1.074 372 L CA 1.851 56.695 54.840 0.008 0.000 0.748 372 L CB -0.617 41.442 42.059 0.001 0.000 0.905 372 L HN 0.118 nan 8.230 nan 0.000 0.439 373 A N -1.127 121.692 122.820 -0.001 0.000 2.072 373 A HA 0.137 4.458 4.320 0.001 0.000 0.216 373 A C 2.205 179.788 177.584 -0.002 0.000 1.156 373 A CA 0.918 52.953 52.037 -0.003 0.000 0.701 373 A CB -1.184 17.813 19.000 -0.005 0.000 0.816 373 A HN 0.491 nan 8.150 nan 0.000 0.458 374 G N -0.408 108.391 108.800 -0.001 0.000 2.418 374 G HA2 0.339 4.299 3.960 0.001 0.000 0.217 374 G HA3 0.339 4.299 3.960 0.001 0.000 0.217 374 G C 1.127 176.025 174.900 -0.002 0.000 1.158 374 G CA 0.776 45.875 45.100 -0.002 0.000 0.771 374 G HN 1.734 nan 8.290 nan 0.000 0.545 375 G N -2.075 106.725 108.800 -0.000 0.000 2.757 375 G HA2 0.122 4.083 3.960 0.001 0.000 0.638 375 G HA3 0.122 4.083 3.960 0.001 0.000 0.638 375 G C -0.831 174.065 174.900 -0.006 0.000 1.344 375 G CA -0.423 44.676 45.100 -0.003 0.000 0.855 375 G HN 1.036 nan 8.290 nan 0.000 0.537 376 V N 0.052 119.961 119.914 -0.010 0.000 2.588 376 V HA 0.790 4.910 4.120 0.001 0.000 0.304 376 V C 0.639 176.722 176.094 -0.018 0.000 1.042 376 V CA -0.143 62.147 62.300 -0.016 0.000 0.877 376 V CB 1.587 33.398 31.823 -0.020 0.000 0.996 376 V HN 2.175 nan 8.190 nan 0.000 0.425 377 A N 4.109 126.916 122.820 -0.021 0.000 2.249 377 A HA 0.766 5.086 4.320 0.001 0.000 0.314 377 A C -0.284 177.285 177.584 -0.025 0.000 1.290 377 A CA -0.493 51.532 52.037 -0.020 0.000 0.893 377 A CB 1.068 20.057 19.000 -0.019 0.000 1.165 377 A HN 1.468 nan 8.150 nan 0.000 0.530 378 V N 2.300 122.200 119.914 -0.023 0.000 2.427 378 V HA 0.712 4.833 4.120 0.001 0.000 0.286 378 V C -0.330 175.751 176.094 -0.023 0.000 1.034 378 V CA -0.634 61.651 62.300 -0.025 0.000 0.893 378 V CB 0.894 32.702 31.823 -0.025 0.000 0.982 378 V HN 0.635 nan 8.190 nan 0.000 0.452 379 I N 5.360 125.915 120.570 -0.025 0.000 2.336 379 I HA 0.463 4.634 4.170 0.001 0.000 0.292 379 I C 0.219 176.323 176.117 -0.021 0.000 0.991 379 I CA -0.533 60.754 61.300 -0.022 0.000 1.227 379 I CB 1.572 39.558 38.000 -0.024 0.000 1.366 379 I HN 0.653 nan 8.210 nan 0.000 0.466 380 K N 5.959 126.349 120.400 -0.017 0.000 2.240 380 K HA 0.456 4.777 4.320 0.001 0.000 0.271 380 K C -0.948 175.644 176.600 -0.014 0.000 1.018 380 K CA -0.681 55.596 56.287 -0.016 0.000 0.874 380 K CB 2.187 34.678 32.500 -0.015 0.000 1.098 380 K HN 0.295 nan 8.250 nan 0.000 0.458 381 V N 2.932 122.838 119.914 -0.013 0.000 2.408 381 V HA 0.217 4.338 4.120 0.001 0.000 0.267 381 V C 0.737 176.826 176.094 -0.009 0.000 1.047 381 V CA -0.514 61.779 62.300 -0.011 0.000 0.937 381 V CB 0.957 32.774 31.823 -0.011 0.000 0.999 381 V HN 0.910 nan 8.190 nan 0.000 0.472 382 G N 3.354 112.148 108.800 -0.009 0.000 2.437 382 G HA2 0.817 4.778 3.960 0.001 0.000 0.319 382 G HA3 0.817 4.778 3.960 0.001 0.000 0.319 382 G C -0.419 174.477 174.900 -0.006 0.000 1.158 382 G CA 0.202 45.298 45.100 -0.007 0.000 0.899 382 G HN 1.200 nan 8.290 nan 0.000 0.502 383 A N -0.633 122.184 122.820 -0.006 0.000 2.511 383 A HA 0.789 5.110 4.320 0.001 0.000 0.293 383 A C 0.753 178.335 177.584 -0.004 0.000 1.098 383 A CA 0.448 52.482 52.037 -0.005 0.000 0.643 383 A CB 0.312 19.310 19.000 -0.005 0.000 1.302 383 A HN 1.782 nan 8.150 nan 0.000 0.446 384 A N -0.553 122.265 122.820 -0.004 0.000 1.855 384 A HA 0.443 4.764 4.320 0.001 0.000 0.213 384 A C 1.390 178.972 177.584 -0.003 0.000 1.195 384 A CA 2.349 54.384 52.037 -0.004 0.000 0.610 384 A CB -0.660 18.338 19.000 -0.003 0.000 0.837 384 A HN 1.898 nan 8.150 nan 0.000 0.444 385 T N -2.376 112.176 114.554 -0.003 0.000 2.940 385 T HA 0.373 4.724 4.350 0.001 0.000 0.288 385 T C 0.768 175.466 174.700 -0.003 0.000 1.033 385 T CA 0.058 62.156 62.100 -0.003 0.000 1.033 385 T CB 1.644 70.511 68.868 -0.003 0.000 1.079 385 T HN 0.388 nan 8.240 nan 0.000 0.496 386 E N 1.093 121.291 120.200 -0.003 0.000 2.097 386 E HA -0.143 4.208 4.350 0.001 0.000 0.196 386 E C 1.925 178.524 176.600 -0.003 0.000 1.000 386 E CA 1.909 58.308 56.400 -0.003 0.000 0.804 386 E CB -0.162 29.537 29.700 -0.003 0.000 0.740 386 E HN 0.568 nan 8.360 nan 0.000 0.454 387 V N 0.786 120.699 119.914 -0.002 0.000 2.237 387 V HA -0.272 3.849 4.120 0.001 0.000 0.245 387 V C 2.291 178.384 176.094 -0.002 0.000 1.046 387 V CA 2.242 64.541 62.300 -0.001 0.000 1.007 387 V CB -0.787 31.035 31.823 -0.001 0.000 0.638 387 V HN 0.314 nan 8.190 nan 0.000 0.445 388 E N -0.515 119.684 120.200 -0.002 0.000 2.086 388 E HA -0.320 4.031 4.350 0.001 0.000 0.205 388 E C 2.253 178.851 176.600 -0.003 0.000 1.027 388 E CA 2.248 58.647 56.400 -0.002 0.000 0.830 388 E CB -0.212 29.486 29.700 -0.003 0.000 0.751 388 E HN 0.462 nan 8.360 nan 0.000 0.456 389 M N 0.388 119.986 119.600 -0.003 0.000 2.065 389 M HA -0.214 4.267 4.480 0.001 0.000 0.259 389 M C 1.914 178.212 176.300 -0.004 0.000 1.071 389 M CA 1.704 57.001 55.300 -0.004 0.000 1.109 389 M CB -0.178 32.420 32.600 -0.005 0.000 1.313 389 M HN -0.085 nan 8.290 nan 0.000 0.408 390 K N -0.457 119.942 120.400 -0.003 0.000 2.525 390 K HA -0.104 4.216 4.320 0.001 0.000 0.192 390 K C 1.789 178.389 176.600 -0.000 0.000 1.029 390 K CA 0.331 56.617 56.287 -0.002 0.000 1.029 390 K CB 0.110 32.610 32.500 -0.001 0.000 0.814 390 K HN 0.322 nan 8.250 nan 0.000 0.503 391 E N 1.446 121.646 120.200 -0.001 0.000 2.045 391 E HA -0.118 4.232 4.350 0.001 0.000 0.190 391 E C 1.715 178.316 176.600 0.000 0.000 0.968 391 E CA 1.018 57.418 56.400 0.001 0.000 0.813 391 E CB 0.203 29.903 29.700 0.000 0.000 0.780 391 E HN 0.076 nan 8.360 nan 0.000 0.455 392 K N 1.117 121.516 120.400 -0.002 0.000 2.044 392 K HA -0.206 4.115 4.320 0.001 0.000 0.210 392 K C 2.322 178.920 176.600 -0.003 0.000 1.049 392 K CA 1.744 58.030 56.287 -0.002 0.000 0.927 392 K CB -0.145 32.352 32.500 -0.004 0.000 0.713 392 K HN -0.075 nan 8.250 nan 0.000 0.443 393 K N 0.018 120.416 120.400 -0.005 0.000 2.089 393 K HA -0.220 4.101 4.320 0.001 0.000 0.210 393 K C 1.908 178.505 176.600 -0.004 0.000 1.048 393 K CA 1.580 57.863 56.287 -0.007 0.000 0.926 393 K CB -0.189 32.306 32.500 -0.007 0.000 0.714 393 K HN 0.271 nan 8.250 nan 0.000 0.448 394 A N 1.032 123.853 122.820 0.001 0.000 1.898 394 A HA -0.129 4.192 4.320 0.001 0.000 0.216 394 A C 2.087 179.677 177.584 0.011 0.000 1.181 394 A CA 1.310 53.351 52.037 0.007 0.000 0.620 394 A CB -0.357 18.648 19.000 0.009 0.000 0.819 394 A HN 0.320 nan 8.150 nan 0.000 0.442 395 R N -0.717 119.787 120.500 0.007 0.000 2.115 395 R HA -0.027 4.314 4.340 0.001 0.000 0.226 395 R C 1.967 178.272 176.300 0.008 0.000 1.100 395 R CA 1.155 57.260 56.100 0.009 0.000 0.980 395 R CB -0.359 29.944 30.300 0.005 0.000 0.875 395 R HN 0.394 nan 8.270 nan 0.000 0.445 396 V N 1.083 120.997 119.914 -0.001 0.000 2.295 396 V HA -0.248 3.872 4.120 0.001 0.000 0.246 396 V C 1.874 177.959 176.094 -0.015 0.000 1.049 396 V CA 1.885 64.180 62.300 -0.008 0.000 1.024 396 V CB -0.384 31.431 31.823 -0.013 0.000 0.648 396 V HN 0.342 nan 8.190 nan 0.000 0.447 397 E N -0.310 119.880 120.200 -0.018 0.000 2.153 397 E HA -0.215 4.135 4.350 0.001 0.000 0.194 397 E C 1.984 178.593 176.600 0.015 0.000 0.988 397 E CA 1.211 57.589 56.400 -0.038 0.000 0.811 397 E CB -0.146 29.534 29.700 -0.034 0.000 0.746 397 E HN 0.588 nan 8.360 nan 0.000 0.466 398 D N 0.253 120.684 120.400 0.052 0.000 2.097 398 D HA -0.139 4.501 4.640 0.001 0.000 0.195 398 D C 1.905 178.258 176.300 0.089 0.000 0.989 398 D CA 1.365 55.420 54.000 0.091 0.000 0.827 398 D CB -0.120 40.712 40.800 0.053 0.000 0.966 398 D HN 0.165 nan 8.370 nan 0.000 0.456 399 A N 0.822 123.668 122.820 0.044 0.000 1.873 399 A HA -0.099 4.221 4.320 0.001 0.000 0.215 399 A C 2.310 179.917 177.584 0.037 0.000 1.186 399 A CA 0.813 52.871 52.037 0.036 0.000 0.616 399 A CB -0.887 18.123 19.000 0.016 0.000 0.823 399 A HN 0.242 nan 8.150 nan 0.000 0.442 400 L N -1.062 120.166 121.223 0.008 0.000 2.051 400 L HA -0.279 4.062 4.340 0.001 0.000 0.214 400 L C 2.582 179.456 176.870 0.008 0.000 1.076 400 L CA 2.146 56.973 54.840 -0.022 0.000 0.758 400 L CB -0.423 41.588 42.059 -0.080 0.000 0.890 400 L HN 0.500 nan 8.230 nan 0.000 0.433 401 H N -0.471 118.597 119.070 -0.004 0.000 2.290 401 H HA -0.098 4.459 4.556 0.001 0.000 0.298 401 H C 2.165 177.493 175.328 -0.000 0.000 1.087 401 H CA 1.560 57.606 56.048 -0.003 0.000 1.291 401 H CB -0.423 29.337 29.762 -0.003 0.000 1.369 401 H HN 0.520 nan 8.280 nan 0.000 0.492 402 A N -0.193 122.709 122.820 0.138 0.000 2.067 402 A HA -0.115 4.206 4.320 0.001 0.000 0.219 402 A C 2.490 180.105 177.584 0.052 0.000 1.158 402 A CA 1.856 53.934 52.037 0.068 0.000 0.661 402 A CB -0.502 18.524 19.000 0.044 0.000 0.801 402 A HN 0.461 nan 8.150 nan 0.000 0.452 403 T N -1.099 113.485 114.554 0.051 0.000 2.937 403 T HA -0.011 4.340 4.350 0.001 0.000 0.260 403 T C 2.049 176.768 174.700 0.033 0.000 1.051 403 T CA 1.001 63.120 62.100 0.032 0.000 1.141 403 T CB -0.110 68.770 68.868 0.020 0.000 0.879 403 T HN 0.464 nan 8.240 nan 0.000 0.459 404 R N 0.777 121.304 120.500 0.044 0.000 2.115 404 R HA 0.082 4.423 4.340 0.001 0.000 0.230 404 R C 2.668 178.996 176.300 0.046 0.000 1.111 404 R CA 1.118 57.242 56.100 0.041 0.000 0.976 404 R CB -0.293 30.038 30.300 0.052 0.000 0.870 404 R HN 0.366 nan 8.270 nan 0.000 0.445 405 A N 0.752 123.606 122.820 0.055 0.000 1.854 405 A HA -0.062 4.259 4.320 0.001 0.000 0.214 405 A C 2.309 179.912 177.584 0.031 0.000 1.192 405 A CA 1.485 53.548 52.037 0.043 0.000 0.611 405 A CB -0.702 18.322 19.000 0.041 0.000 0.832 405 A HN 0.388 nan 8.150 nan 0.000 0.442 406 A N -0.403 122.434 122.820 0.028 0.000 1.908 406 A HA -0.038 4.283 4.320 0.001 0.000 0.218 406 A C 2.238 179.834 177.584 0.020 0.000 1.181 406 A CA 1.915 53.965 52.037 0.022 0.000 0.627 406 A CB -1.080 17.932 19.000 0.020 0.000 0.818 406 A HN 0.401 nan 8.150 nan 0.000 0.445 407 V N 0.153 120.079 119.914 0.020 0.000 2.231 407 V HA -0.342 3.778 4.120 0.001 0.000 0.248 407 V C 2.444 178.548 176.094 0.017 0.000 1.054 407 V CA 2.512 64.822 62.300 0.017 0.000 1.015 407 V CB -1.021 30.811 31.823 0.016 0.000 0.638 407 V HN 0.673 nan 8.190 nan 0.000 0.444 408 E N -0.129 120.083 120.200 0.020 0.000 2.070 408 E HA -0.225 4.126 4.350 0.001 0.000 0.197 408 E C 1.670 178.280 176.600 0.018 0.000 1.004 408 E CA 1.706 58.117 56.400 0.020 0.000 0.805 408 E CB -0.078 29.636 29.700 0.023 0.000 0.744 408 E HN 0.722 nan 8.360 nan 0.000 0.451 409 E N -0.755 119.456 120.200 0.018 0.000 2.715 409 E HA 0.249 4.599 4.350 0.001 0.000 0.224 409 E C 0.385 176.994 176.600 0.016 0.000 0.962 409 E CA 0.149 56.558 56.400 0.016 0.000 1.145 409 E CB 1.557 31.267 29.700 0.017 0.000 1.083 409 E HN 0.221 nan 8.360 nan 0.000 0.506 410 G N 1.639 110.448 108.800 0.016 0.000 2.741 410 G HA2 -0.230 3.731 3.960 0.001 0.000 0.222 410 G HA3 -0.230 3.731 3.960 0.001 0.000 0.222 410 G C -0.109 174.801 174.900 0.016 0.000 1.364 410 G CA -0.368 44.741 45.100 0.016 0.000 0.866 410 G HN 0.480 nan 8.290 nan 0.000 0.555 411 V N -2.395 117.528 119.914 0.016 0.000 3.019 411 V HA 1.009 5.129 4.120 0.001 0.000 0.317 411 V C 0.725 176.829 176.094 0.017 0.000 1.094 411 V CA 0.378 62.687 62.300 0.016 0.000 1.000 411 V CB 1.326 33.158 31.823 0.014 0.000 1.060 411 V HN 2.598 nan 8.190 nan 0.000 0.443 412 V N -1.613 118.312 119.914 0.018 0.000 3.203 412 V HA 0.964 5.084 4.120 0.001 0.000 0.305 412 V C 0.254 176.360 176.094 0.021 0.000 1.361 412 V CA -0.794 61.518 62.300 0.021 0.000 1.066 412 V CB 1.105 32.941 31.823 0.022 0.000 1.085 412 V HN 2.342 nan 8.190 nan 0.000 0.456 413 A N 0.540 123.376 122.820 0.026 0.000 2.553 413 A HA 0.472 4.793 4.320 0.001 0.000 0.258 413 A C 1.423 179.017 177.584 0.017 0.000 1.069 413 A CA 0.619 52.670 52.037 0.024 0.000 0.767 413 A CB -0.363 18.658 19.000 0.035 0.000 0.997 413 A HN 2.208 nan 8.150 nan 0.000 0.512 414 G N 2.069 110.873 108.800 0.006 0.000 2.848 414 G HA2 0.200 4.161 3.960 0.001 0.000 0.208 414 G HA3 0.200 4.161 3.960 0.001 0.000 0.208 414 G C 0.955 175.855 174.900 0.001 0.000 1.152 414 G CA 0.746 45.847 45.100 0.002 0.000 0.789 414 G HN 1.098 nan 8.290 nan 0.000 0.531 415 G N -0.800 108.002 108.800 0.005 0.000 3.233 415 G HA2 0.394 4.354 3.960 0.001 0.000 0.227 415 G HA3 0.394 4.354 3.960 0.001 0.000 0.227 415 G C 1.247 176.161 174.900 0.023 0.000 1.175 415 G CA 0.391 45.494 45.100 0.005 0.000 0.781 415 G HN 1.125 nan 8.290 nan 0.000 0.542 416 G N -0.610 108.204 108.800 0.024 0.000 2.358 416 G HA2 -0.394 3.567 3.960 0.001 0.000 0.224 416 G HA3 -0.394 3.567 3.960 0.001 0.000 0.224 416 G C 1.475 176.397 174.900 0.037 0.000 1.073 416 G CA 0.583 45.702 45.100 0.032 0.000 0.635 416 G HN 0.628 nan 8.290 nan 0.000 0.509 417 V N 1.711 121.650 119.914 0.041 0.000 2.257 417 V HA -0.219 3.902 4.120 0.001 0.000 0.257 417 V C 3.388 179.510 176.094 0.046 0.000 1.077 417 V CA 3.763 66.092 62.300 0.048 0.000 1.063 417 V CB -1.565 30.284 31.823 0.043 0.000 0.664 417 V HN 1.421 nan 8.190 nan 0.000 0.450 418 A N -0.372 122.470 122.820 0.037 0.000 1.883 418 A HA -0.165 4.156 4.320 0.001 0.000 0.217 418 A C 2.213 179.817 177.584 0.034 0.000 1.186 418 A CA 2.106 54.164 52.037 0.035 0.000 0.624 418 A CB -0.526 18.491 19.000 0.028 0.000 0.822 418 A HN 0.448 nan 8.150 nan 0.000 0.444 419 L N -0.559 120.683 121.223 0.031 0.000 2.027 419 L HA -0.136 4.205 4.340 0.001 0.000 0.206 419 L C 2.585 179.474 176.870 0.030 0.000 1.074 419 L CA 1.229 56.086 54.840 0.028 0.000 0.745 419 L CB -1.084 40.990 42.059 0.026 0.000 0.898 419 L HN 0.320 nan 8.230 nan 0.000 0.433 420 I N 0.323 120.915 120.570 0.036 0.000 2.185 420 I HA -0.361 3.810 4.170 0.001 0.000 0.246 420 I C 2.799 178.940 176.117 0.040 0.000 1.088 420 I CA 1.563 62.886 61.300 0.039 0.000 1.347 420 I CB -0.618 37.411 38.000 0.048 0.000 1.041 420 I HN 0.319 nan 8.210 nan 0.000 0.415 421 R N 0.938 121.465 120.500 0.046 0.000 2.061 421 R HA -0.147 4.194 4.340 0.001 0.000 0.230 421 R C 2.355 178.676 176.300 0.034 0.000 1.140 421 R CA 2.418 58.547 56.100 0.047 0.000 0.940 421 R CB -0.752 29.579 30.300 0.053 0.000 0.839 421 R HN 0.323 nan 8.270 nan 0.000 0.429 422 V N -0.960 118.971 119.914 0.030 0.000 2.407 422 V HA -0.076 4.045 4.120 0.001 0.000 0.248 422 V C 2.153 178.258 176.094 0.020 0.000 1.055 422 V CA 1.865 64.179 62.300 0.023 0.000 1.049 422 V CB -1.207 30.628 31.823 0.020 0.000 0.662 422 V HN 0.400 nan 8.190 nan 0.000 0.455 423 A N 1.562 124.394 122.820 0.021 0.000 1.930 423 A HA -0.141 4.179 4.320 0.001 0.000 0.217 423 A C 2.589 180.183 177.584 0.017 0.000 1.175 423 A CA 2.417 54.464 52.037 0.017 0.000 0.627 423 A CB -1.062 17.949 19.000 0.018 0.000 0.815 423 A HN 1.039 nan 8.150 nan 0.000 0.443 424 S N -0.357 115.356 115.700 0.020 0.000 2.474 424 S HA -0.090 4.381 4.470 0.001 0.000 0.235 424 S C 1.729 176.338 174.600 0.015 0.000 0.997 424 S CA 1.179 59.389 58.200 0.018 0.000 0.949 424 S CB -0.230 62.983 63.200 0.022 0.000 0.766 424 S HN 0.593 nan 8.310 nan 0.000 0.517 425 K N 1.094 121.503 120.400 0.016 0.000 1.991 425 K HA 0.073 4.394 4.320 0.001 0.000 0.207 425 K C 0.736 177.342 176.600 0.009 0.000 1.045 425 K CA 1.072 57.367 56.287 0.013 0.000 0.937 425 K CB -0.531 31.978 32.500 0.014 0.000 0.720 425 K HN 0.476 nan 8.250 nan 0.000 0.438 426 L N -0.127 121.101 121.223 0.010 0.000 2.873 426 L HA 0.313 4.654 4.340 0.001 0.000 0.236 426 L C 0.715 177.589 176.870 0.007 0.000 1.375 426 L CA -0.028 54.817 54.840 0.007 0.000 1.239 426 L CB 0.176 42.239 42.059 0.007 0.000 1.603 426 L HN -0.086 nan 8.230 nan 0.000 0.430 427 A N -1.337 121.487 122.820 0.006 0.000 2.462 427 A HA 0.238 4.559 4.320 0.001 0.000 0.261 427 A C 1.115 178.701 177.584 0.004 0.000 1.323 427 A CA -0.082 51.958 52.037 0.006 0.000 0.913 427 A CB -0.195 18.809 19.000 0.006 0.000 1.028 427 A HN 0.407 nan 8.150 nan 0.000 0.511 428 D N -0.844 119.558 120.400 0.003 0.000 2.392 428 D HA 0.091 4.732 4.640 0.001 0.000 0.206 428 D C 0.489 176.791 176.300 0.002 0.000 1.046 428 D CA -0.128 53.873 54.000 0.002 0.000 0.865 428 D CB 0.023 40.824 40.800 0.002 0.000 0.969 428 D HN 0.294 nan 8.370 nan 0.000 0.509 429 L N 2.216 123.441 121.223 0.003 0.000 2.693 429 L HA -0.119 4.222 4.340 0.001 0.000 0.292 429 L C 0.510 177.381 176.870 0.002 0.000 1.243 429 L CA 0.989 55.830 54.840 0.002 0.000 0.903 429 L CB -0.007 42.054 42.059 0.003 0.000 1.160 429 L HN -0.073 nan 8.230 nan 0.000 0.496 430 R N 2.952 123.452 120.500 0.001 0.000 2.912 430 R HA 0.789 5.130 4.340 0.001 0.000 0.262 430 R C -0.049 176.251 176.300 0.001 0.000 1.057 430 R CA -0.305 55.796 56.100 0.001 0.000 0.981 430 R CB 1.405 31.705 30.300 0.001 0.000 1.201 430 R HN 0.773 nan 8.270 nan 0.000 0.484 431 G N -0.163 108.638 108.800 0.001 0.000 3.257 431 G HA2 0.324 4.285 3.960 0.001 0.000 0.205 431 G HA3 0.324 4.285 3.960 0.001 0.000 0.205 431 G C -0.341 174.559 174.900 0.001 0.000 1.234 431 G CA -0.124 44.977 45.100 0.001 0.000 0.918 431 G HN 0.361 nan 8.290 nan 0.000 0.602 432 Q N -0.546 119.254 119.800 0.001 0.000 2.581 432 Q HA 0.193 4.534 4.340 0.001 0.000 0.222 432 Q C 1.030 177.030 176.000 0.001 0.000 0.904 432 Q CA -0.093 55.711 55.803 0.001 0.000 0.923 432 Q CB -0.162 28.576 28.738 0.001 0.000 1.117 432 Q HN 0.518 nan 8.270 nan 0.000 0.618 433 N N 2.172 120.873 118.700 0.001 0.000 2.458 433 N HA -0.086 4.655 4.740 0.001 0.000 0.258 433 N C 0.799 176.309 175.510 0.001 0.000 1.219 433 N CA 0.042 53.093 53.050 0.001 0.000 0.902 433 N CB 0.572 39.060 38.487 0.002 0.000 1.076 433 N HN 0.365 nan 8.380 nan 0.000 0.455 434 E N 2.306 122.507 120.200 0.001 0.000 2.331 434 E HA -0.258 4.093 4.350 0.001 0.000 0.199 434 E C 0.056 176.657 176.600 0.002 0.000 1.008 434 E CA 1.135 57.536 56.400 0.001 0.000 0.843 434 E CB 0.107 29.807 29.700 0.001 0.000 0.761 434 E HN 0.576 nan 8.360 nan 0.000 0.507 435 D N 1.303 121.704 120.400 0.002 0.000 2.144 435 D HA -0.123 4.518 4.640 0.001 0.000 0.200 435 D C 1.902 178.204 176.300 0.003 0.000 0.978 435 D CA 1.060 55.061 54.000 0.002 0.000 0.833 435 D CB -0.080 40.722 40.800 0.003 0.000 0.961 435 D HN 0.428 nan 8.370 nan 0.000 0.470 436 Q N 0.086 119.887 119.800 0.002 0.000 2.172 436 Q HA -0.050 4.291 4.340 0.001 0.000 0.200 436 Q C 1.724 177.725 176.000 0.002 0.000 0.964 436 Q CA 0.444 56.249 55.803 0.002 0.000 0.855 436 Q CB 0.040 28.779 28.738 0.002 0.000 0.918 436 Q HN 0.195 nan 8.270 nan 0.000 0.444 437 N N 0.544 119.245 118.700 0.002 0.000 2.036 437 N HA -0.154 4.586 4.740 0.001 0.000 0.195 437 N C 1.886 177.398 175.510 0.003 0.000 1.037 437 N CA 1.308 54.359 53.050 0.002 0.000 0.855 437 N CB -0.531 37.957 38.487 0.002 0.000 1.033 437 N HN 0.048 nan 8.380 nan 0.000 0.423 438 V N 0.828 120.744 119.914 0.003 0.000 2.332 438 V HA -0.179 3.942 4.120 0.001 0.000 0.248 438 V C 2.427 178.523 176.094 0.004 0.000 1.055 438 V CA 2.011 64.313 62.300 0.003 0.000 1.038 438 V CB -1.352 30.473 31.823 0.003 0.000 0.651 438 V HN 0.376 nan 8.190 nan 0.000 0.450 439 G N 0.439 109.241 108.800 0.004 0.000 2.480 439 G HA2 -0.262 3.698 3.960 0.001 0.000 0.216 439 G HA3 -0.262 3.698 3.960 0.001 0.000 0.216 439 G C 1.535 176.437 174.900 0.004 0.000 1.200 439 G CA 1.382 46.484 45.100 0.004 0.000 0.782 439 G HN 0.512 nan 8.290 nan 0.000 0.554 440 I N 0.669 121.241 120.570 0.003 0.000 2.163 440 I HA -0.189 3.982 4.170 0.001 0.000 0.243 440 I C 2.809 178.929 176.117 0.005 0.000 1.085 440 I CA 1.447 62.749 61.300 0.003 0.000 1.347 440 I CB -0.254 37.747 38.000 0.003 0.000 1.044 440 I HN 0.086 nan 8.210 nan 0.000 0.408 441 K N 0.690 121.092 120.400 0.004 0.000 1.987 441 K HA -0.187 4.134 4.320 0.001 0.000 0.216 441 K C 2.170 178.774 176.600 0.006 0.000 1.051 441 K CA 1.827 58.117 56.287 0.005 0.000 0.942 441 K CB -0.780 31.723 32.500 0.004 0.000 0.722 441 K HN 0.115 nan 8.250 nan 0.000 0.444 442 V N 1.604 121.522 119.914 0.006 0.000 2.242 442 V HA -0.378 3.743 4.120 0.001 0.000 0.257 442 V C 2.474 178.572 176.094 0.008 0.000 1.073 442 V CA 2.400 64.704 62.300 0.007 0.000 1.058 442 V CB -0.843 30.984 31.823 0.006 0.000 0.664 442 V HN 0.523 nan 8.190 nan 0.000 0.451 443 A N -1.309 121.515 122.820 0.007 0.000 1.930 443 A HA -0.113 4.208 4.320 0.001 0.000 0.217 443 A C 2.201 179.790 177.584 0.009 0.000 1.175 443 A CA 1.799 53.841 52.037 0.008 0.000 0.627 443 A CB -0.430 18.574 19.000 0.007 0.000 0.815 443 A HN 0.513 nan 8.150 nan 0.000 0.443 444 L N -0.965 120.263 121.223 0.009 0.000 2.005 444 L HA -0.157 4.184 4.340 0.001 0.000 0.207 444 L C 2.850 179.726 176.870 0.011 0.000 1.072 444 L CA 1.824 56.670 54.840 0.010 0.000 0.744 444 L CB -0.429 41.635 42.059 0.009 0.000 0.895 444 L HN 0.499 nan 8.230 nan 0.000 0.433 445 R N 0.376 120.882 120.500 0.010 0.000 2.189 445 R HA -0.113 4.228 4.340 0.001 0.000 0.223 445 R C 2.113 178.420 176.300 0.011 0.000 1.092 445 R CA 1.048 57.154 56.100 0.010 0.000 0.989 445 R CB -0.093 30.212 30.300 0.008 0.000 0.876 445 R HN 0.320 nan 8.270 nan 0.000 0.457 446 A N 1.278 124.104 122.820 0.012 0.000 1.972 446 A HA -0.132 4.189 4.320 0.001 0.000 0.219 446 A C 2.093 179.686 177.584 0.015 0.000 1.169 446 A CA 1.398 53.443 52.037 0.013 0.000 0.635 446 A CB -0.366 18.642 19.000 0.013 0.000 0.810 446 A HN 0.385 nan 8.150 nan 0.000 0.446 447 M N -0.438 119.171 119.600 0.016 0.000 2.557 447 M HA -0.073 4.408 4.480 0.001 0.000 0.259 447 M C 1.253 177.566 176.300 0.020 0.000 1.086 447 M CA 0.915 56.226 55.300 0.018 0.000 1.096 447 M CB -0.393 32.218 32.600 0.018 0.000 1.424 447 M HN 0.466 nan 8.290 nan 0.000 0.488 448 E N 0.927 121.138 120.200 0.018 0.000 2.435 448 E HA 0.010 4.361 4.350 0.001 0.000 0.195 448 E C 2.133 178.745 176.600 0.019 0.000 1.029 448 E CA 0.574 56.986 56.400 0.020 0.000 0.865 448 E CB -0.012 29.698 29.700 0.017 0.000 0.833 448 E HN 0.510 nan 8.360 nan 0.000 0.510 449 A N 2.568 125.399 122.820 0.018 0.000 1.865 449 A HA -0.127 4.193 4.320 0.001 0.000 0.217 449 A C -0.229 177.366 177.584 0.018 0.000 1.191 449 A CA 1.262 53.308 52.037 0.016 0.000 0.623 449 A CB -1.459 17.550 19.000 0.015 0.000 0.826 449 A HN 0.129 nan 8.150 nan 0.000 0.444 450 P HA -0.168 nan 4.420 nan 0.000 0.214 450 P C 1.718 179.034 177.300 0.026 0.000 1.163 450 P CA 1.072 64.184 63.100 0.021 0.000 0.889 450 P CB -0.088 31.625 31.700 0.021 0.000 0.790 451 L N -0.504 120.738 121.223 0.032 0.000 1.970 451 L HA -0.196 4.144 4.340 0.001 0.000 0.212 451 L C 2.449 179.340 176.870 0.035 0.000 1.071 451 L CA 2.007 56.874 54.840 0.044 0.000 0.751 451 L CB -0.841 41.248 42.059 0.049 0.000 0.889 451 L HN -0.267 nan 8.230 nan 0.000 0.432 452 R N -1.103 119.410 120.500 0.023 0.000 2.103 452 R HA -0.245 4.095 4.340 0.001 0.000 0.242 452 R C 2.350 178.659 176.300 0.015 0.000 1.142 452 R CA 1.811 57.919 56.100 0.013 0.000 0.960 452 R CB -0.412 29.893 30.300 0.009 0.000 0.858 452 R HN 0.450 nan 8.270 nan 0.000 0.439 453 Q N 0.444 120.255 119.800 0.018 0.000 2.046 453 Q HA -0.090 4.250 4.340 0.001 0.000 0.200 453 Q C 1.844 177.858 176.000 0.023 0.000 0.975 453 Q CA 1.557 57.371 55.803 0.017 0.000 0.836 453 Q CB -0.070 28.677 28.738 0.015 0.000 0.896 453 Q HN 0.268 nan 8.270 nan 0.000 0.428 454 I N -0.262 120.327 120.570 0.031 0.000 2.118 454 I HA -0.290 3.881 4.170 0.001 0.000 0.241 454 I C 2.174 178.323 176.117 0.053 0.000 1.070 454 I CA 1.236 62.559 61.300 0.039 0.000 1.327 454 I CB -1.157 36.873 38.000 0.049 0.000 1.034 454 I HN 0.115 nan 8.210 nan 0.000 0.405 455 V N 0.902 120.856 119.914 0.066 0.000 2.332 455 V HA -0.278 3.843 4.120 0.001 0.000 0.248 455 V C 2.549 178.664 176.094 0.035 0.000 1.055 455 V CA 1.755 64.095 62.300 0.067 0.000 1.038 455 V CB -0.608 31.216 31.823 0.002 0.000 0.651 455 V HN 0.327 nan 8.190 nan 0.000 0.450 456 L N 0.574 121.809 121.223 0.021 0.000 2.005 456 L HA -0.142 4.198 4.340 0.001 0.000 0.207 456 L C 2.220 179.099 176.870 0.015 0.000 1.072 456 L CA 1.992 56.840 54.840 0.013 0.000 0.744 456 L CB -0.873 41.191 42.059 0.009 0.000 0.895 456 L HN 0.301 nan 8.230 nan 0.000 0.433 457 N N -0.730 117.980 118.700 0.017 0.000 2.132 457 N HA -0.237 4.503 4.740 0.001 0.000 0.191 457 N C 1.832 177.352 175.510 0.016 0.000 1.015 457 N CA 1.884 54.943 53.050 0.015 0.000 0.864 457 N CB -1.021 37.474 38.487 0.014 0.000 1.006 457 N HN 0.450 nan 8.380 nan 0.000 0.430 458 C N -1.106 118.209 119.300 0.026 0.000 2.437 458 C HA 0.176 4.637 4.460 0.001 0.000 0.283 458 C C 1.858 176.864 174.990 0.026 0.000 1.424 458 C CA 0.674 59.710 59.018 0.030 0.000 1.782 458 C CB -1.285 26.491 27.740 0.060 0.000 1.833 458 C HN 0.692 nan 8.230 nan 0.000 0.532 459 G N 0.347 109.160 108.800 0.021 0.000 2.176 459 G HA2 -0.171 3.790 3.960 0.001 0.000 0.253 459 G HA3 -0.171 3.790 3.960 0.001 0.000 0.253 459 G C -0.091 174.818 174.900 0.014 0.000 0.979 459 G CA 0.267 45.376 45.100 0.015 0.000 0.641 459 G HN 0.572 nan 8.290 nan 0.000 0.530 460 E N 0.648 120.860 120.200 0.020 0.000 2.351 460 E HA 0.377 4.728 4.350 0.001 0.000 0.255 460 E C -0.009 176.581 176.600 -0.016 0.000 1.188 460 E CA -0.640 55.762 56.400 0.003 0.000 0.940 460 E CB 0.782 30.482 29.700 0.000 0.000 1.094 460 E HN 0.337 nan 8.360 nan 0.000 0.474 461 E N 1.538 121.718 120.200 -0.033 0.000 2.257 461 E HA 0.080 4.431 4.350 0.001 0.000 0.278 461 E C -1.759 174.809 176.600 -0.052 0.000 1.049 461 E CA -1.487 54.892 56.400 -0.034 0.000 0.876 461 E CB 1.018 30.698 29.700 -0.032 0.000 1.035 461 E HN 0.240 nan 8.360 nan 0.000 0.419 462 P HA -0.141 nan 4.420 nan 0.000 0.206 462 P C 1.495 178.773 177.300 -0.036 0.000 1.212 462 P CA 1.289 64.368 63.100 -0.036 0.000 0.919 462 P CB 0.020 31.710 31.700 -0.015 0.000 0.755 463 S N -0.366 115.321 115.700 -0.022 0.000 2.509 463 S HA -0.278 4.192 4.470 0.001 0.000 0.285 463 S C 1.996 176.581 174.600 -0.025 0.000 1.185 463 S CA 2.451 60.640 58.200 -0.018 0.000 1.152 463 S CB -2.146 61.046 63.200 -0.013 0.000 1.088 463 S HN -0.040 nan 8.310 nan 0.000 0.446 464 V N 1.393 121.287 119.914 -0.034 0.000 2.244 464 V HA -0.111 4.010 4.120 0.001 0.000 0.244 464 V C 2.700 178.766 176.094 -0.047 0.000 1.042 464 V CA 1.750 64.028 62.300 -0.036 0.000 1.006 464 V CB -0.780 31.024 31.823 -0.030 0.000 0.641 464 V HN 0.512 nan 8.190 nan 0.000 0.446 465 V N 0.264 120.118 119.914 -0.099 0.000 2.332 465 V HA -0.286 3.835 4.120 0.001 0.000 0.248 465 V C 2.667 178.744 176.094 -0.029 0.000 1.055 465 V CA 2.081 64.302 62.300 -0.132 0.000 1.038 465 V CB -1.078 30.478 31.823 -0.445 0.000 0.651 465 V HN 0.571 nan 8.190 nan 0.000 0.450 466 A N 0.628 123.431 122.820 -0.028 0.000 1.858 466 A HA -0.310 4.011 4.320 0.001 0.000 0.216 466 A C 2.066 179.656 177.584 0.011 0.000 1.190 466 A CA 2.385 54.425 52.037 0.005 0.000 0.617 466 A CB -0.934 18.067 19.000 0.001 0.000 0.827 466 A HN 0.687 nan 8.150 nan 0.000 0.443 467 N N -0.251 118.446 118.700 -0.005 0.000 2.043 467 N HA -0.210 4.531 4.740 0.001 0.000 0.193 467 N C 1.845 177.347 175.510 -0.013 0.000 1.037 467 N CA 3.361 56.406 53.050 -0.008 0.000 0.851 467 N CB -0.583 37.894 38.487 -0.016 0.000 1.027 467 N HN 0.490 nan 8.380 nan 0.000 0.422 468 T N -1.854 112.673 114.554 -0.044 0.000 2.821 468 T HA -0.059 4.292 4.350 0.001 0.000 0.267 468 T C 1.963 176.669 174.700 0.009 0.000 1.046 468 T CA 1.476 63.521 62.100 -0.093 0.000 1.139 468 T CB -0.846 67.848 68.868 -0.290 0.000 0.871 468 T HN 0.035 nan 8.240 nan 0.000 0.454 469 V N 2.162 122.113 119.914 0.063 0.000 2.332 469 V HA -0.165 3.955 4.120 0.001 0.000 0.248 469 V C 2.867 179.051 176.094 0.150 0.000 1.055 469 V CA 2.009 64.391 62.300 0.137 0.000 1.038 469 V CB -0.567 31.330 31.823 0.124 0.000 0.651 469 V HN 0.563 nan 8.190 nan 0.000 0.450 470 K N 0.356 120.808 120.400 0.086 0.000 2.147 470 K HA -0.121 4.199 4.320 0.001 0.000 0.205 470 K C 2.245 178.879 176.600 0.057 0.000 1.049 470 K CA 1.442 57.768 56.287 0.064 0.000 0.936 470 K CB -0.702 31.819 32.500 0.035 0.000 0.722 470 K HN 0.572 nan 8.250 nan 0.000 0.446 471 G N 1.498 110.327 108.800 0.048 0.000 2.462 471 G HA2 -0.174 3.787 3.960 0.001 0.000 0.220 471 G HA3 -0.174 3.787 3.960 0.001 0.000 0.220 471 G C 0.942 175.836 174.900 -0.010 0.000 1.121 471 G CA 1.024 46.129 45.100 0.009 0.000 0.758 471 G HN 0.404 nan 8.290 nan 0.000 0.559 472 G N -1.069 107.758 108.800 0.045 0.000 2.582 472 G HA2 0.502 4.463 3.960 0.001 0.000 0.232 472 G HA3 0.502 4.463 3.960 0.001 0.000 0.232 472 G C -0.759 174.146 174.900 0.008 0.000 1.458 472 G CA -0.333 44.734 45.100 -0.055 0.000 1.062 472 G HN 0.193 nan 8.290 nan 0.000 0.566 473 D N -2.326 118.085 120.400 0.018 0.000 2.610 473 D HA 0.481 5.122 4.640 0.001 0.000 0.271 473 D C 0.806 177.154 176.300 0.079 0.000 1.174 473 D CA 0.488 54.510 54.000 0.036 0.000 0.949 473 D CB 1.710 42.506 40.800 -0.006 0.000 1.430 473 D HN 0.857 nan 8.370 nan 0.000 0.467 474 G N 1.216 110.053 108.800 0.061 0.000 2.634 474 G HA2 -0.317 3.644 3.960 0.001 0.000 0.309 474 G HA3 -0.317 3.644 3.960 0.001 0.000 0.309 474 G C 0.272 175.228 174.900 0.094 0.000 1.265 474 G CA 0.204 45.344 45.100 0.065 0.000 0.998 474 G HN 0.575 nan 8.290 nan 0.000 0.551 475 N N 0.350 119.113 118.700 0.104 0.000 2.380 475 N HA 0.186 4.927 4.740 0.001 0.000 0.255 475 N C -0.198 175.407 175.510 0.158 0.000 1.158 475 N CA -0.045 53.069 53.050 0.106 0.000 0.878 475 N CB 0.439 38.969 38.487 0.071 0.000 1.138 475 N HN 0.464 nan 8.380 nan 0.000 0.509 476 Y N 1.369 121.701 120.300 0.052 0.000 2.425 476 Y HA 0.430 4.980 4.550 0.001 0.000 0.331 476 Y C 0.754 176.719 175.900 0.110 0.000 1.157 476 Y CA 0.049 58.195 58.100 0.076 0.000 1.372 476 Y CB 0.456 38.953 38.460 0.063 0.000 1.253 476 Y HN 0.158 nan 8.280 nan 0.000 0.536 477 G N 3.750 112.338 108.800 -0.353 0.000 2.634 477 G HA2 0.309 4.270 3.960 0.001 0.000 0.309 477 G HA3 0.309 4.270 3.960 0.001 0.000 0.309 477 G C -2.517 172.304 174.900 -0.133 0.000 1.299 477 G CA -0.884 44.112 45.100 -0.175 0.000 0.798 477 G HN 0.586 nan 8.290 nan 0.000 0.490 478 Y N 1.231 121.443 120.300 -0.146 0.000 2.341 478 Y HA 0.660 5.210 4.550 0.001 0.000 0.338 478 Y C -0.547 175.215 175.900 -0.230 0.000 0.965 478 Y CA -1.534 56.395 58.100 -0.285 0.000 1.108 478 Y CB 1.961 40.280 38.460 -0.235 0.000 1.180 478 Y HN 0.463 nan 8.280 nan 0.000 0.458 479 N N 4.847 123.074 118.700 -0.789 0.000 2.589 479 N HA 0.271 5.012 4.740 0.001 0.000 0.232 479 N C 0.432 175.429 175.510 -0.856 0.000 1.015 479 N CA 0.419 53.116 53.050 -0.588 0.000 0.931 479 N CB 1.198 39.473 38.487 -0.353 0.000 1.150 479 N HN 0.874 nan 8.380 nan 0.000 0.512 480 A N 3.704 126.114 122.820 -0.683 0.000 1.986 480 A HA -0.124 4.197 4.320 0.001 0.000 0.220 480 A C 2.080 179.488 177.584 -0.294 0.000 1.171 480 A CA 1.939 53.690 52.037 -0.477 0.000 0.640 480 A CB -0.788 18.153 19.000 -0.098 0.000 0.811 480 A HN 0.727 nan 8.150 nan 0.000 0.451 481 A N -0.660 122.018 122.820 -0.236 0.000 1.902 481 A HA -0.056 4.264 4.320 0.001 0.000 0.217 481 A C 2.212 179.699 177.584 -0.162 0.000 1.181 481 A CA 2.313 54.259 52.037 -0.151 0.000 0.623 481 A CB -0.901 18.031 19.000 -0.113 0.000 0.818 481 A HN 0.900 nan 8.150 nan 0.000 0.443 482 T N -2.959 111.460 114.554 -0.224 0.000 3.129 482 T HA 0.256 4.607 4.350 0.001 0.000 0.267 482 T C 0.191 174.762 174.700 -0.214 0.000 1.018 482 T CA 0.587 62.581 62.100 -0.177 0.000 0.903 482 T CB -0.347 68.435 68.868 -0.144 0.000 1.067 482 T HN 0.619 nan 8.240 nan 0.000 0.549 483 E N 0.230 120.230 120.200 -0.334 0.000 2.551 483 E HA -0.240 4.110 4.350 0.001 0.000 0.251 483 E C -0.598 175.810 176.600 -0.319 0.000 1.210 483 E CA 0.808 57.005 56.400 -0.338 0.000 0.725 483 E CB -2.144 27.527 29.700 -0.047 0.000 1.290 483 E HN 0.731 nan 8.360 nan 0.000 0.413 484 E N -0.278 119.688 120.200 -0.391 0.000 2.179 484 E HA 0.438 4.788 4.350 0.001 0.000 0.275 484 E C -0.586 175.820 176.600 -0.323 0.000 0.945 484 E CA -0.655 55.593 56.400 -0.252 0.000 0.792 484 E CB 0.887 30.520 29.700 -0.111 0.000 1.125 484 E HN 0.097 nan 8.360 nan 0.000 0.397 485 Y N 0.872 121.171 120.300 -0.001 0.000 2.298 485 Y HA 0.635 5.185 4.550 0.001 0.000 0.329 485 Y C 1.171 177.031 175.900 -0.067 0.000 1.293 485 Y CA 0.350 58.378 58.100 -0.121 0.000 1.388 485 Y CB 1.422 39.808 38.460 -0.123 0.000 1.309 485 Y HN 0.649 nan 8.280 nan 0.000 0.544 486 G N 0.467 109.272 108.800 0.009 0.000 2.336 486 G HA2 -0.018 3.943 3.960 0.001 0.000 0.286 486 G HA3 -0.018 3.943 3.960 0.001 0.000 0.286 486 G C -1.912 173.093 174.900 0.174 0.000 1.269 486 G CA -1.119 44.086 45.100 0.175 0.000 0.873 486 G HN 0.554 nan 8.290 nan 0.000 0.494 487 N N 1.142 119.933 118.700 0.151 0.000 2.462 487 N HA 0.166 4.906 4.740 0.001 0.000 0.242 487 N C 1.615 177.157 175.510 0.052 0.000 1.010 487 N CA -0.613 52.513 53.050 0.126 0.000 0.939 487 N CB 0.856 39.408 38.487 0.109 0.000 1.127 487 N HN 0.368 nan 8.380 nan 0.000 0.509 488 M N 3.311 122.930 119.600 0.032 0.000 2.192 488 M HA -0.190 4.291 4.480 0.001 0.000 0.259 488 M C 1.666 177.967 176.300 0.003 0.000 1.071 488 M CA 1.315 56.613 55.300 -0.003 0.000 1.082 488 M CB -0.529 32.071 32.600 -0.000 0.000 1.373 488 M HN 0.603 nan 8.290 nan 0.000 0.408 489 I N 0.016 120.598 120.570 0.020 0.000 2.206 489 I HA -0.261 3.910 4.170 0.001 0.000 0.239 489 I C 1.899 178.024 176.117 0.013 0.000 1.078 489 I CA 1.145 62.455 61.300 0.016 0.000 1.367 489 I CB -0.380 37.634 38.000 0.023 0.000 1.078 489 I HN 0.177 nan 8.210 nan 0.000 0.413 490 D N 0.750 121.162 120.400 0.021 0.000 2.149 490 D HA -0.251 4.389 4.640 0.001 0.000 0.194 490 D C 2.024 178.328 176.300 0.006 0.000 1.001 490 D CA 1.700 55.710 54.000 0.017 0.000 0.849 490 D CB -0.329 40.488 40.800 0.027 0.000 0.939 490 D HN 0.332 nan 8.370 nan 0.000 0.449 491 M N -0.773 118.826 119.600 -0.001 0.000 2.686 491 M HA 0.115 4.596 4.480 0.001 0.000 0.246 491 M C 1.166 177.450 176.300 -0.027 0.000 1.096 491 M CA 0.772 56.060 55.300 -0.020 0.000 1.076 491 M CB 0.154 32.729 32.600 -0.041 0.000 1.504 491 M HN 0.120 nan 8.290 nan 0.000 0.524 492 G N 1.394 110.184 108.800 -0.017 0.000 2.160 492 G HA2 -0.202 3.759 3.960 0.001 0.000 0.251 492 G HA3 -0.202 3.759 3.960 0.001 0.000 0.251 492 G C -0.150 174.736 174.900 -0.023 0.000 1.008 492 G CA -0.333 44.757 45.100 -0.017 0.000 0.724 492 G HN 0.392 nan 8.290 nan 0.000 0.514 493 I N 1.564 122.118 120.570 -0.027 0.000 2.442 493 I HA 0.493 4.663 4.170 0.001 0.000 0.279 493 I C 0.520 176.628 176.117 -0.016 0.000 1.081 493 I CA -1.130 60.151 61.300 -0.030 0.000 1.197 493 I CB 0.281 38.250 38.000 -0.051 0.000 1.394 493 I HN 0.395 nan 8.210 nan 0.000 0.488 494 L N 2.789 124.007 121.223 -0.008 0.000 2.354 494 L HA 0.826 5.167 4.340 0.001 0.000 0.264 494 L C -1.391 175.481 176.870 0.003 0.000 1.008 494 L CA -0.538 54.303 54.840 0.001 0.000 0.819 494 L CB 3.144 45.206 42.059 0.005 0.000 1.339 494 L HN 0.107 nan 8.230 nan 0.000 0.420 495 D N 1.870 122.274 120.400 0.007 0.000 2.481 495 D HA 0.506 5.147 4.640 0.001 0.000 0.244 495 D C -2.644 173.663 176.300 0.011 0.000 1.057 495 D CA -1.300 52.704 54.000 0.008 0.000 0.848 495 D CB 2.285 43.090 40.800 0.008 0.000 1.388 495 D HN 0.391 nan 8.370 nan 0.000 0.475 496 P HA 0.002 nan 4.420 nan 0.000 0.266 496 P C 0.866 178.175 177.300 0.016 0.000 1.193 496 P CA 0.188 63.297 63.100 0.015 0.000 0.770 496 P CB 0.648 32.358 31.700 0.017 0.000 0.836 497 T N 1.748 116.312 114.554 0.017 0.000 2.708 497 T HA -0.191 4.160 4.350 0.001 0.000 0.266 497 T C 1.648 176.360 174.700 0.020 0.000 1.037 497 T CA 1.232 63.343 62.100 0.018 0.000 1.146 497 T CB -0.382 68.496 68.868 0.017 0.000 0.865 497 T HN 0.479 nan 8.240 nan 0.000 0.435 498 K N 0.513 120.926 120.400 0.021 0.000 2.052 498 K HA -0.182 4.138 4.320 0.001 0.000 0.215 498 K C 2.417 179.034 176.600 0.029 0.000 1.053 498 K CA 1.928 58.230 56.287 0.025 0.000 0.934 498 K CB -0.524 31.992 32.500 0.027 0.000 0.717 498 K HN 0.313 nan 8.250 nan 0.000 0.450 499 V N -0.326 119.601 119.914 0.021 0.000 2.379 499 V HA -0.162 3.958 4.120 0.001 0.000 0.245 499 V C 1.776 177.886 176.094 0.028 0.000 1.044 499 V CA 2.402 64.714 62.300 0.020 0.000 1.036 499 V CB -0.528 31.294 31.823 -0.001 0.000 0.664 499 V HN 0.345 nan 8.190 nan 0.000 0.453 500 T N 0.664 115.232 114.554 0.023 0.000 2.788 500 T HA -0.163 4.188 4.350 0.001 0.000 0.268 500 T C 1.932 176.651 174.700 0.031 0.000 1.044 500 T CA 2.105 64.220 62.100 0.025 0.000 1.139 500 T CB -0.368 68.513 68.868 0.022 0.000 0.867 500 T HN 0.660 nan 8.240 nan 0.000 0.454 501 R N 0.970 121.487 120.500 0.028 0.000 2.070 501 R HA -0.086 4.254 4.340 0.001 0.000 0.232 501 R C 2.561 178.883 176.300 0.038 0.000 1.138 501 R CA 1.891 58.005 56.100 0.023 0.000 0.936 501 R CB -0.550 29.758 30.300 0.013 0.000 0.839 501 R HN 0.210 nan 8.270 nan 0.000 0.429 502 S N 0.913 116.653 115.700 0.066 0.000 2.365 502 S HA -0.231 4.239 4.470 0.001 0.000 0.225 502 S C 2.096 176.826 174.600 0.216 0.000 1.039 502 S CA 1.424 59.713 58.200 0.149 0.000 1.033 502 S CB -0.532 62.775 63.200 0.178 0.000 0.887 502 S HN 0.610 nan 8.310 nan 0.000 0.447 503 A N 1.517 124.416 122.820 0.132 0.000 1.896 503 A HA -0.175 4.145 4.320 0.001 0.000 0.220 503 A C 2.160 179.809 177.584 0.108 0.000 1.206 503 A CA 1.781 53.884 52.037 0.109 0.000 0.647 503 A CB -0.987 18.046 19.000 0.056 0.000 0.828 503 A HN 0.476 nan 8.150 nan 0.000 0.455 504 L N -1.213 120.050 121.223 0.066 0.000 2.056 504 L HA -0.221 4.120 4.340 0.001 0.000 0.207 504 L C 2.824 179.713 176.870 0.031 0.000 1.078 504 L CA 1.927 56.793 54.840 0.042 0.000 0.749 504 L CB -0.425 41.647 42.059 0.022 0.000 0.901 504 L HN 0.554 nan 8.230 nan 0.000 0.433 505 Q N -1.637 118.164 119.800 0.002 0.000 2.172 505 Q HA -0.205 4.136 4.340 0.001 0.000 0.200 505 Q C 1.880 177.823 176.000 -0.095 0.000 0.964 505 Q CA 1.468 57.218 55.803 -0.087 0.000 0.855 505 Q CB 0.034 28.663 28.738 -0.183 0.000 0.918 505 Q HN 0.468 nan 8.270 nan 0.000 0.444 506 Y N -0.413 119.887 120.300 -0.001 0.000 2.365 506 Y HA -0.021 4.530 4.550 0.001 0.000 0.293 506 Y C 2.175 178.075 175.900 -0.001 0.000 1.119 506 Y CA 0.784 58.883 58.100 -0.002 0.000 1.203 506 Y CB -0.233 38.225 38.460 -0.004 0.000 1.026 506 Y HN 0.110 nan 8.280 nan 0.000 0.549 507 A N -0.032 122.889 122.820 0.168 0.000 1.902 507 A HA -0.128 4.193 4.320 0.001 0.000 0.217 507 A C 2.410 180.033 177.584 0.064 0.000 1.181 507 A CA 1.757 53.851 52.037 0.095 0.000 0.623 507 A CB -1.189 17.848 19.000 0.062 0.000 0.818 507 A HN 0.362 nan 8.150 nan 0.000 0.443 508 A N -0.447 122.397 122.820 0.040 0.000 2.019 508 A HA -0.070 4.251 4.320 0.001 0.000 0.219 508 A C 2.439 180.032 177.584 0.016 0.000 1.164 508 A CA 2.133 54.180 52.037 0.018 0.000 0.644 508 A CB -0.744 18.256 19.000 -0.000 0.000 0.805 508 A HN 0.732 nan 8.150 nan 0.000 0.449 509 S N -0.891 114.821 115.700 0.021 0.000 2.371 509 S HA -0.090 4.381 4.470 0.001 0.000 0.224 509 S C 1.883 176.506 174.600 0.038 0.000 1.029 509 S CA 1.530 59.740 58.200 0.017 0.000 0.978 509 S CB -0.424 62.781 63.200 0.009 0.000 0.833 509 S HN 0.562 nan 8.310 nan 0.000 0.466 510 V N 1.246 121.195 119.914 0.059 0.000 2.951 510 V HA 0.287 4.408 4.120 0.001 0.000 0.255 510 V C 2.457 178.572 176.094 0.036 0.000 1.088 510 V CA 1.399 63.730 62.300 0.052 0.000 1.109 510 V CB -0.633 31.226 31.823 0.060 0.000 0.724 510 V HN 0.606 nan 8.190 nan 0.000 0.471 511 A N 0.171 123.010 122.820 0.032 0.000 1.898 511 A HA 0.099 4.420 4.320 0.001 0.000 0.214 511 A C 2.341 179.937 177.584 0.018 0.000 1.183 511 A CA 1.477 53.528 52.037 0.023 0.000 0.622 511 A CB -1.325 17.688 19.000 0.022 0.000 0.824 511 A HN 0.593 nan 8.150 nan 0.000 0.444 512 G N 0.116 108.925 108.800 0.016 0.000 2.476 512 G HA2 -0.211 3.750 3.960 0.001 0.000 0.218 512 G HA3 -0.211 3.750 3.960 0.001 0.000 0.218 512 G C 1.423 176.332 174.900 0.014 0.000 1.164 512 G CA 1.331 46.438 45.100 0.012 0.000 0.768 512 G HN 0.327 nan 8.290 nan 0.000 0.560 513 L N 0.202 121.436 121.223 0.018 0.000 1.990 513 L HA -0.053 4.288 4.340 0.001 0.000 0.213 513 L C 3.080 179.961 176.870 0.018 0.000 1.072 513 L CA 1.694 56.545 54.840 0.019 0.000 0.755 513 L CB -0.667 41.407 42.059 0.024 0.000 0.889 513 L HN 0.258 nan 8.230 nan 0.000 0.432 514 M N -1.653 117.959 119.600 0.019 0.000 2.099 514 M HA -0.205 4.276 4.480 0.001 0.000 0.262 514 M C 2.178 178.487 176.300 0.015 0.000 1.067 514 M CA 1.638 56.949 55.300 0.018 0.000 1.124 514 M CB -0.335 32.277 32.600 0.019 0.000 1.353 514 M HN 0.141 nan 8.290 nan 0.000 0.410 515 I N 0.140 120.718 120.570 0.014 0.000 2.623 515 I HA -0.242 3.929 4.170 0.001 0.000 0.261 515 I C 1.399 177.524 176.117 0.014 0.000 1.204 515 I CA 1.272 62.580 61.300 0.013 0.000 1.444 515 I CB -0.555 37.452 38.000 0.011 0.000 1.094 515 I HN 0.403 nan 8.210 nan 0.000 0.451 516 T N -3.970 110.593 114.554 0.015 0.000 3.215 516 T HA 0.200 4.551 4.350 0.001 0.000 0.271 516 T C 0.469 175.180 174.700 0.019 0.000 1.012 516 T CA -0.342 61.768 62.100 0.016 0.000 0.899 516 T CB -0.248 68.629 68.868 0.014 0.000 1.089 516 T HN -0.073 nan 8.240 nan 0.000 0.552 517 T N 2.422 116.987 114.554 0.018 0.000 2.806 517 T HA 0.332 4.683 4.350 0.001 0.000 0.290 517 T C 0.560 175.273 174.700 0.022 0.000 0.966 517 T CA -0.481 61.629 62.100 0.017 0.000 1.060 517 T CB 1.530 70.406 68.868 0.014 0.000 0.927 517 T HN 0.064 nan 8.240 nan 0.000 0.485 518 E N 0.544 120.760 120.200 0.027 0.000 2.465 518 E HA 0.189 4.539 4.350 0.001 0.000 0.209 518 E C 0.188 176.803 176.600 0.025 0.000 0.951 518 E CA 0.114 56.546 56.400 0.054 0.000 0.997 518 E CB 0.686 30.439 29.700 0.089 0.000 1.025 518 E HN 0.558 nan 8.360 nan 0.000 0.500 519 C N 0.209 119.480 119.300 -0.049 0.000 3.086 519 C HA 0.717 5.177 4.460 0.001 0.000 0.311 519 C C -1.486 173.426 174.990 -0.129 0.000 1.260 519 C CA -0.575 58.317 59.018 -0.211 0.000 1.426 519 C CB 0.842 28.442 27.740 -0.233 0.000 1.826 519 C HN 0.158 nan 8.230 nan 0.000 0.474 520 M N 4.814 124.332 119.600 -0.137 0.000 2.182 520 M HA 0.399 4.880 4.480 0.001 0.000 0.266 520 M C -1.224 175.134 176.300 0.096 0.000 0.989 520 M CA -0.318 55.013 55.300 0.052 0.000 1.003 520 M CB 1.868 34.597 32.600 0.215 0.000 1.812 520 M HN 0.423 nan 8.290 nan 0.000 0.472 521 V N 1.794 121.707 119.914 -0.001 0.000 2.547 521 V HA 0.862 4.983 4.120 0.001 0.000 0.299 521 V C -0.001 176.010 176.094 -0.138 0.000 1.040 521 V CA -0.213 62.059 62.300 -0.047 0.000 0.913 521 V CB 2.029 33.823 31.823 -0.048 0.000 0.992 521 V HN 0.927 nan 8.190 nan 0.000 0.449 522 T N 1.828 116.259 114.554 -0.205 0.000 2.700 522 T HA 0.241 4.591 4.350 0.001 0.000 0.307 522 T C -1.769 172.804 174.700 -0.212 0.000 1.580 522 T CA -0.643 61.285 62.100 -0.288 0.000 0.992 522 T CB 1.810 70.322 68.868 -0.593 0.000 1.577 522 T HN 0.687 nan 8.240 nan 0.000 0.496 523 D N 1.453 121.745 120.400 -0.181 0.000 2.329 523 D HA 0.328 4.969 4.640 0.001 0.000 0.246 523 D C 0.187 176.425 176.300 -0.104 0.000 1.111 523 D CA -0.292 53.642 54.000 -0.110 0.000 0.941 523 D CB 0.934 41.686 40.800 -0.079 0.000 1.169 523 D HN 0.413 nan 8.370 nan 0.000 0.441 524 L N 2.411 123.602 121.223 -0.054 0.000 2.490 524 L HA 0.076 4.417 4.340 0.001 0.000 0.274 524 L C -1.373 175.481 176.870 -0.027 0.000 1.201 524 L CA -1.281 53.543 54.840 -0.027 0.000 0.869 524 L CB 0.038 42.092 42.059 -0.007 0.000 1.123 524 L HN 0.230 nan 8.230 nan 0.000 0.484 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.097 63.100 -0.004 0.000 0.800 525 P CB 0.000 31.710 31.700 0.017 0.000 0.726