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 1svt_1_L 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 0.000 177.580 177.584 -0.007 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 3 A N 2.947 125.765 122.820 -0.004 0.000 2.546 3 A HA 0.517 4.837 4.320 0.000 0.000 0.243 3 A C 0.433 178.013 177.584 -0.006 0.000 1.063 3 A CA 0.366 52.403 52.037 -0.000 0.000 0.757 3 A CB -0.018 18.984 19.000 0.004 0.000 0.991 3 A HN 0.637 nan 8.150 nan 0.000 0.503 4 K N 1.289 121.687 120.400 -0.003 0.000 2.132 4 K HA 0.460 4.780 4.320 0.000 0.000 0.241 4 K C -0.903 175.700 176.600 0.006 0.000 1.000 4 K CA -0.666 55.614 56.287 -0.012 0.000 0.911 4 K CB 0.984 33.476 32.500 -0.014 0.000 1.093 4 K HN 0.724 nan 8.250 nan 0.000 0.460 5 D N 0.581 120.989 120.400 0.013 0.000 2.391 5 D HA 0.317 4.957 4.640 0.000 0.000 0.245 5 D C -1.373 175.001 176.300 0.124 0.000 1.069 5 D CA -0.612 53.435 54.000 0.079 0.000 0.831 5 D CB 1.360 42.234 40.800 0.124 0.000 1.204 5 D HN 0.035 nan 8.370 nan 0.000 0.503 6 V N 4.272 124.208 119.914 0.036 0.000 2.384 6 V HA 0.430 4.550 4.120 0.000 0.000 0.287 6 V C 0.226 176.130 176.094 -0.316 0.000 1.020 6 V CA -0.709 61.508 62.300 -0.137 0.000 0.850 6 V CB 1.584 33.266 31.823 -0.235 0.000 0.987 6 V HN 0.399 nan 8.190 nan 0.000 0.436 7 K N 3.473 123.632 120.400 -0.402 0.000 2.259 7 K HA 0.745 5.065 4.320 0.000 0.000 0.249 7 K C -1.552 174.710 176.600 -0.562 0.000 0.942 7 K CA -0.447 55.537 56.287 -0.505 0.000 0.816 7 K CB 1.876 33.962 32.500 -0.690 0.000 1.155 7 K HN 0.501 nan 8.250 nan 0.000 0.428 8 F N 1.042 120.939 119.950 -0.087 0.000 2.520 8 F HA 0.388 4.915 4.527 0.000 0.000 0.322 8 F C 1.135 176.903 175.800 -0.054 0.000 1.103 8 F CA 0.101 58.072 58.000 -0.049 0.000 0.926 8 F CB 2.089 41.071 39.000 -0.030 0.000 1.154 8 F HN 0.833 nan 8.300 nan 0.000 0.453 9 G N 2.793 111.711 108.800 0.197 0.000 2.620 9 G HA2 -0.487 3.473 3.960 0.000 0.000 0.315 9 G HA3 -0.487 3.473 3.960 0.000 0.000 0.315 9 G C 1.028 175.954 174.900 0.042 0.000 1.179 9 G CA 1.156 46.317 45.100 0.102 0.000 0.971 9 G HN 0.685 nan 8.290 nan 0.000 0.544 10 N N 1.195 119.912 118.700 0.029 0.000 2.039 10 N HA -0.050 4.690 4.740 0.000 0.000 0.193 10 N C 1.897 177.394 175.510 -0.022 0.000 1.044 10 N CA 2.232 55.284 53.050 0.003 0.000 0.847 10 N CB -0.349 38.139 38.487 0.001 0.000 1.030 10 N HN 0.561 nan 8.380 nan 0.000 0.422 11 D N 0.304 120.682 120.400 -0.037 0.000 2.133 11 D HA -0.208 4.432 4.640 0.000 0.000 0.192 11 D C 1.780 177.991 176.300 -0.148 0.000 1.001 11 D CA 1.532 55.476 54.000 -0.094 0.000 0.844 11 D CB -0.856 39.872 40.800 -0.119 0.000 0.944 11 D HN 0.415 nan 8.370 nan 0.000 0.447 12 A N 0.749 123.480 122.820 -0.148 0.000 1.940 12 A HA -0.233 4.087 4.320 0.000 0.000 0.219 12 A C 2.222 179.759 177.584 -0.079 0.000 1.176 12 A CA 1.656 53.593 52.037 -0.166 0.000 0.631 12 A CB -0.416 18.524 19.000 -0.099 0.000 0.814 12 A HN 0.148 nan 8.150 nan 0.000 0.446 13 R N -1.225 119.251 120.500 -0.040 0.000 2.055 13 R HA 0.015 4.355 4.340 0.000 0.000 0.226 13 R C 2.092 178.383 176.300 -0.015 0.000 1.135 13 R CA 1.112 57.204 56.100 -0.012 0.000 0.959 13 R CB -0.688 29.612 30.300 -0.000 0.000 0.854 13 R HN 0.316 nan 8.270 nan 0.000 0.431 14 V N 2.038 121.938 119.914 -0.024 0.000 2.313 14 V HA -0.342 3.778 4.120 0.000 0.000 0.253 14 V C 2.173 178.254 176.094 -0.021 0.000 1.070 14 V CA 1.811 64.098 62.300 -0.022 0.000 1.057 14 V CB -0.375 31.430 31.823 -0.029 0.000 0.653 14 V HN 0.237 nan 8.190 nan 0.000 0.450 15 K N -0.958 119.417 120.400 -0.042 0.000 2.025 15 K HA -0.053 4.267 4.320 0.000 0.000 0.207 15 K C 2.057 178.675 176.600 0.030 0.000 1.049 15 K CA 1.516 57.797 56.287 -0.010 0.000 0.933 15 K CB -0.713 31.766 32.500 -0.034 0.000 0.714 15 K HN 0.397 nan 8.250 nan 0.000 0.438 16 M N 0.183 119.799 119.600 0.027 0.000 2.144 16 M HA -0.217 4.263 4.480 0.000 0.000 0.260 16 M C 1.954 178.270 176.300 0.027 0.000 1.067 16 M CA 1.304 56.628 55.300 0.040 0.000 1.095 16 M CB -0.162 32.459 32.600 0.035 0.000 1.365 16 M HN 0.082 nan 8.290 nan 0.000 0.406 17 L N 0.106 121.339 121.223 0.017 0.000 2.068 17 L HA -0.114 4.226 4.340 0.000 0.000 0.204 17 L C 2.292 179.170 176.870 0.014 0.000 1.076 17 L CA 1.719 56.567 54.840 0.014 0.000 0.753 17 L CB -0.544 41.520 42.059 0.008 0.000 0.910 17 L HN 0.149 nan 8.230 nan 0.000 0.439 18 R N -0.230 120.279 120.500 0.014 0.000 2.105 18 R HA -0.116 4.224 4.340 0.000 0.000 0.239 18 R C 2.170 178.481 176.300 0.019 0.000 1.135 18 R CA 1.269 57.378 56.100 0.015 0.000 0.967 18 R CB -1.181 29.129 30.300 0.016 0.000 0.861 18 R HN 0.581 nan 8.270 nan 0.000 0.442 19 G N 0.889 109.705 108.800 0.026 0.000 2.418 19 G HA2 -0.239 3.721 3.960 0.000 0.000 0.217 19 G HA3 -0.239 3.721 3.960 0.000 0.000 0.217 19 G C 1.460 176.370 174.900 0.018 0.000 1.158 19 G CA 0.799 45.915 45.100 0.026 0.000 0.771 19 G HN 0.287 nan 8.290 nan 0.000 0.545 20 V N 0.995 120.919 119.914 0.018 0.000 2.307 20 V HA -0.158 3.962 4.120 0.000 0.000 0.245 20 V C 2.201 178.301 176.094 0.010 0.000 1.045 20 V CA 2.629 64.937 62.300 0.013 0.000 1.024 20 V CB -0.884 30.947 31.823 0.015 0.000 0.651 20 V HN 0.493 nan 8.190 nan 0.000 0.449 21 N N -0.148 118.558 118.700 0.011 0.000 2.069 21 N HA -0.232 4.508 4.740 0.000 0.000 0.196 21 N C 1.791 177.306 175.510 0.007 0.000 1.024 21 N CA 2.010 55.065 53.050 0.008 0.000 0.869 21 N CB -0.358 38.134 38.487 0.008 0.000 1.035 21 N HN 0.463 nan 8.380 nan 0.000 0.434 22 V N 1.567 121.486 119.914 0.008 0.000 2.307 22 V HA -0.175 3.945 4.120 0.000 0.000 0.245 22 V C 2.173 178.270 176.094 0.004 0.000 1.045 22 V CA 1.191 63.495 62.300 0.006 0.000 1.024 22 V CB -0.526 31.302 31.823 0.007 0.000 0.651 22 V HN 0.415 nan 8.190 nan 0.000 0.449 23 L N 0.322 121.547 121.223 0.004 0.000 2.017 23 L HA -0.169 4.171 4.340 0.000 0.000 0.208 23 L C 2.508 179.378 176.870 0.000 0.000 1.073 23 L CA 2.526 57.366 54.840 0.001 0.000 0.745 23 L CB -0.831 41.228 42.059 0.000 0.000 0.894 23 L HN 0.369 nan 8.230 nan 0.000 0.432 24 A N -0.463 122.358 122.820 0.002 0.000 1.930 24 A HA -0.219 4.101 4.320 0.000 0.000 0.217 24 A C 1.772 179.357 177.584 0.002 0.000 1.175 24 A CA 1.758 53.797 52.037 0.002 0.000 0.627 24 A CB -0.529 18.474 19.000 0.005 0.000 0.815 24 A HN 0.501 nan 8.150 nan 0.000 0.443 25 D N -0.289 120.113 120.400 0.003 0.000 2.269 25 D HA 0.101 4.741 4.640 0.000 0.000 0.208 25 D C 2.008 178.309 176.300 0.001 0.000 0.963 25 D CA 1.164 55.165 54.000 0.002 0.000 0.864 25 D CB -0.101 40.701 40.800 0.003 0.000 0.936 25 D HN 0.441 nan 8.370 nan 0.000 0.505 26 A N 0.119 122.940 122.820 0.000 0.000 1.911 26 A HA -0.008 4.312 4.320 0.000 0.000 0.212 26 A C 2.220 179.803 177.584 -0.002 0.000 1.189 26 A CA 0.482 52.518 52.037 -0.001 0.000 0.639 26 A CB -0.494 18.505 19.000 -0.001 0.000 0.839 26 A HN 0.154 nan 8.150 nan 0.000 0.449 27 V N 1.232 121.145 119.914 -0.003 0.000 2.719 27 V HA -0.140 3.980 4.120 0.000 0.000 0.252 27 V C 2.331 178.423 176.094 -0.003 0.000 1.065 27 V CA 2.192 64.490 62.300 -0.004 0.000 1.086 27 V CB -0.513 31.307 31.823 -0.006 0.000 0.700 27 V HN 0.776 nan 8.190 nan 0.000 0.467 28 K N 0.491 120.891 120.400 -0.001 0.000 2.432 28 K HA -0.011 4.309 4.320 0.000 0.000 0.196 28 K C 1.399 177.999 176.600 0.000 0.000 1.038 28 K CA 1.524 57.812 56.287 0.000 0.000 0.986 28 K CB -0.205 32.296 32.500 0.002 0.000 0.782 28 K HN 0.506 nan 8.250 nan 0.000 0.485 29 V N -0.649 119.265 119.914 -0.000 0.000 3.573 29 V HA 0.028 4.148 4.120 0.000 0.000 0.270 29 V C 1.464 177.558 176.094 -0.000 0.000 1.221 29 V CA 0.922 63.223 62.300 0.000 0.000 1.163 29 V CB -0.648 31.175 31.823 0.000 0.000 0.847 29 V HN 0.459 nan 8.190 nan 0.000 0.468 30 T N -3.538 111.015 114.554 -0.002 0.000 3.092 30 T HA 0.242 4.592 4.350 0.000 0.000 0.258 30 T C 1.332 176.030 174.700 -0.004 0.000 1.031 30 T CA 0.310 62.408 62.100 -0.003 0.000 0.925 30 T CB 0.572 69.437 68.868 -0.005 0.000 1.036 30 T HN 0.283 nan 8.240 nan 0.000 0.544 31 L N 2.934 124.156 121.223 -0.002 0.000 1.976 31 L HA 0.340 4.680 4.340 0.000 0.000 0.209 31 L C 1.743 178.611 176.870 -0.003 0.000 1.071 31 L CA 1.566 56.405 54.840 -0.002 0.000 0.746 31 L CB -1.445 40.615 42.059 0.001 0.000 0.890 31 L HN 0.438 nan 8.230 nan 0.000 0.432 32 G N -0.406 108.394 108.800 0.000 0.000 3.047 32 G HA2 -0.143 3.817 3.960 0.000 0.000 0.374 32 G HA3 -0.143 3.817 3.960 0.000 0.000 0.374 32 G C -1.529 173.364 174.900 -0.012 0.000 1.277 32 G CA 0.323 45.422 45.100 -0.003 0.000 1.153 32 G HN 0.455 nan 8.290 nan 0.000 0.711 33 P HA 0.137 nan 4.420 nan 0.000 0.240 33 P C 0.378 177.667 177.300 -0.020 0.000 1.190 33 P CA 0.833 63.918 63.100 -0.024 0.000 0.781 33 P CB 0.540 32.217 31.700 -0.038 0.000 0.931 34 K N 0.905 121.297 120.400 -0.014 0.000 3.122 34 K HA 0.339 4.660 4.320 0.000 0.000 0.193 34 K C 0.673 177.271 176.600 -0.003 0.000 1.141 34 K CA -0.350 55.932 56.287 -0.009 0.000 0.975 34 K CB 1.032 33.528 32.500 -0.008 0.000 1.173 34 K HN -0.001 nan 8.250 nan 0.000 0.546 35 G N 1.166 109.963 108.800 -0.005 0.000 2.664 35 G HA2 0.066 4.026 3.960 0.000 0.000 0.242 35 G HA3 0.066 4.026 3.960 0.000 0.000 0.242 35 G C 0.247 175.146 174.900 -0.001 0.000 1.225 35 G CA -0.446 44.652 45.100 -0.003 0.000 0.849 35 G HN 0.234 nan 8.290 nan 0.000 0.581 36 R N 0.101 120.600 120.500 -0.001 0.000 2.549 36 R HA 0.273 4.613 4.340 0.000 0.000 0.259 36 R C 0.101 176.401 176.300 -0.001 0.000 1.095 36 R CA -0.847 55.253 56.100 -0.000 0.000 1.148 36 R CB 0.202 30.502 30.300 0.000 0.000 1.181 36 R HN 0.523 nan 8.270 nan 0.000 0.571 37 N N -0.054 118.646 118.700 -0.001 0.000 2.509 37 N HA 0.253 4.993 4.740 0.000 0.000 0.287 37 N C -0.745 174.764 175.510 -0.001 0.000 1.121 37 N CA -0.288 52.761 53.050 -0.001 0.000 0.977 37 N CB 1.668 40.155 38.487 -0.001 0.000 1.167 37 N HN 0.082 nan 8.380 nan 0.000 0.476 38 V N 1.809 121.722 119.914 -0.001 0.000 2.604 38 V HA 0.348 4.468 4.120 0.000 0.000 0.305 38 V C -0.013 176.081 176.094 -0.001 0.000 1.043 38 V CA -0.820 61.480 62.300 -0.001 0.000 0.888 38 V CB 2.160 33.982 31.823 -0.002 0.000 0.995 38 V HN 0.284 nan 8.190 nan 0.000 0.429 39 V N 5.898 125.812 119.914 -0.000 0.000 2.427 39 V HA 0.499 4.619 4.120 0.000 0.000 0.286 39 V C -0.653 175.442 176.094 0.001 0.000 1.034 39 V CA -0.530 61.770 62.300 0.001 0.000 0.893 39 V CB 1.546 33.369 31.823 0.000 0.000 0.982 39 V HN 0.536 nan 8.190 nan 0.000 0.452 40 L N 4.254 125.479 121.223 0.002 0.000 2.372 40 L HA 0.510 4.850 4.340 0.000 0.000 0.273 40 L C -0.117 176.757 176.870 0.006 0.000 0.989 40 L CA -0.186 54.656 54.840 0.003 0.000 0.841 40 L CB 1.301 43.362 42.059 0.003 0.000 1.225 40 L HN 0.621 nan 8.230 nan 0.000 0.414 41 D N 3.421 123.824 120.400 0.005 0.000 2.354 41 D HA 0.316 4.956 4.640 0.000 0.000 0.238 41 D C -0.224 176.085 176.300 0.015 0.000 1.250 41 D CA 0.363 54.368 54.000 0.007 0.000 0.911 41 D CB 0.765 41.566 40.800 0.002 0.000 1.163 41 D HN 0.446 nan 8.370 nan 0.000 0.456 42 K N 0.056 120.469 120.400 0.023 0.000 2.578 42 K HA 0.209 4.529 4.320 0.000 0.000 0.269 42 K C -0.020 176.614 176.600 0.056 0.000 0.941 42 K CA -0.517 55.796 56.287 0.043 0.000 0.847 42 K CB 1.095 33.623 32.500 0.046 0.000 1.397 42 K HN 0.401 nan 8.250 nan 0.000 0.422 43 S N 1.784 117.544 115.700 0.099 0.000 2.407 43 S HA 0.071 4.541 4.470 0.000 0.000 0.192 43 S C 0.610 175.255 174.600 0.075 0.000 1.169 43 S CA 0.462 58.703 58.200 0.067 0.000 1.496 43 S CB -0.673 62.602 63.200 0.125 0.000 0.918 43 S HN 0.457 nan 8.310 nan 0.000 0.388 44 F N 3.074 123.021 119.950 -0.004 0.000 2.572 44 F HA 0.469 4.996 4.527 0.000 0.000 0.370 44 F C 1.579 177.376 175.800 -0.003 0.000 1.103 44 F CA 0.537 58.535 58.000 -0.004 0.000 1.286 44 F CB -1.116 37.882 39.000 -0.004 0.000 1.105 44 F HN 0.786 nan 8.300 nan 0.000 0.583 45 G N 0.921 109.806 108.800 0.141 0.000 2.681 45 G HA2 0.220 4.180 3.960 0.000 0.000 0.220 45 G HA3 0.220 4.180 3.960 0.000 0.000 0.220 45 G C -0.679 174.250 174.900 0.047 0.000 1.353 45 G CA -0.727 44.423 45.100 0.083 0.000 0.872 45 G HN 1.176 nan 8.290 nan 0.000 0.557 46 A N 1.083 123.924 122.820 0.036 0.000 2.302 46 A HA 0.837 5.157 4.320 0.000 0.000 0.285 46 A C -0.807 176.789 177.584 0.021 0.000 1.105 46 A CA -0.193 51.857 52.037 0.021 0.000 0.816 46 A CB 0.144 19.154 19.000 0.017 0.000 1.067 46 A HN 0.926 nan 8.150 nan 0.000 0.489 47 P HA 0.203 nan 4.420 nan 0.000 0.272 47 P C -0.353 176.954 177.300 0.012 0.000 1.254 47 P CA 0.039 63.146 63.100 0.012 0.000 0.795 47 P CB 0.298 32.002 31.700 0.006 0.000 1.022 48 T N 0.906 115.466 114.554 0.010 0.000 2.779 48 T HA 0.484 4.834 4.350 0.000 0.000 0.280 48 T C 0.167 174.870 174.700 0.005 0.000 0.987 48 T CA -0.383 61.722 62.100 0.008 0.000 0.966 48 T CB 0.116 68.989 68.868 0.008 0.000 0.933 48 T HN 0.158 nan 8.240 nan 0.000 0.442 49 I N 2.891 123.464 120.570 0.004 0.000 2.353 49 I HA 0.499 4.669 4.170 0.000 0.000 0.293 49 I C 0.511 176.629 176.117 0.001 0.000 0.992 49 I CA -0.490 60.811 61.300 0.002 0.000 1.268 49 I CB 1.587 39.587 38.000 0.001 0.000 1.387 49 I HN 0.473 nan 8.210 nan 0.000 0.478 50 T N 4.483 119.037 114.554 -0.001 0.000 2.894 50 T HA 0.326 4.676 4.350 0.000 0.000 0.309 50 T C -0.150 174.548 174.700 -0.003 0.000 1.208 50 T CA -0.534 61.565 62.100 -0.002 0.000 1.016 50 T CB 1.859 70.725 68.868 -0.002 0.000 1.192 50 T HN 0.679 nan 8.240 nan 0.000 0.491 51 K N 1.644 122.041 120.400 -0.004 0.000 2.537 51 K HA 0.281 4.601 4.320 0.000 0.000 0.206 51 K C -0.822 175.774 176.600 -0.007 0.000 1.041 51 K CA -0.157 56.127 56.287 -0.005 0.000 1.090 51 K CB 0.421 32.918 32.500 -0.005 0.000 0.833 51 K HN 0.502 nan 8.250 nan 0.000 0.493 52 D N -1.181 119.214 120.400 -0.007 0.000 2.462 52 D HA 0.197 4.838 4.640 0.000 0.000 0.245 52 D C 1.169 177.463 176.300 -0.011 0.000 1.122 52 D CA -0.539 53.456 54.000 -0.010 0.000 0.864 52 D CB 1.284 42.078 40.800 -0.010 0.000 1.098 52 D HN 0.086 nan 8.370 nan 0.000 0.541 53 G N 2.168 110.961 108.800 -0.011 0.000 2.547 53 G HA2 -0.307 3.653 3.960 0.000 0.000 0.221 53 G HA3 -0.307 3.653 3.960 0.000 0.000 0.221 53 G C 1.486 176.376 174.900 -0.016 0.000 1.140 53 G CA 1.161 46.253 45.100 -0.013 0.000 0.760 53 G HN 0.481 nan 8.290 nan 0.000 0.583 54 V N 0.472 120.374 119.914 -0.020 0.000 2.332 54 V HA -0.203 3.917 4.120 0.000 0.000 0.248 54 V C 3.049 179.131 176.094 -0.019 0.000 1.055 54 V CA 2.305 64.590 62.300 -0.024 0.000 1.038 54 V CB -0.548 31.258 31.823 -0.029 0.000 0.651 54 V HN 0.410 nan 8.190 nan 0.000 0.450 55 S N -0.744 114.947 115.700 -0.015 0.000 2.368 55 S HA -0.129 4.342 4.470 0.000 0.000 0.224 55 S C 1.968 176.562 174.600 -0.010 0.000 1.029 55 S CA 1.374 59.567 58.200 -0.012 0.000 0.988 55 S CB -0.047 63.148 63.200 -0.009 0.000 0.838 55 S HN 0.356 nan 8.310 nan 0.000 0.462 56 V N 1.953 121.862 119.914 -0.009 0.000 2.237 56 V HA -0.212 3.908 4.120 0.000 0.000 0.245 56 V C 2.666 178.755 176.094 -0.010 0.000 1.046 56 V CA 1.894 64.190 62.300 -0.008 0.000 1.007 56 V CB -1.225 30.594 31.823 -0.007 0.000 0.638 56 V HN 0.543 nan 8.190 nan 0.000 0.445 57 A N 0.033 122.846 122.820 -0.013 0.000 1.917 57 A HA -0.321 3.999 4.320 0.000 0.000 0.219 57 A C 2.367 179.942 177.584 -0.016 0.000 1.182 57 A CA 2.381 54.409 52.037 -0.015 0.000 0.633 57 A CB -0.710 18.278 19.000 -0.019 0.000 0.819 57 A HN 0.530 nan 8.150 nan 0.000 0.448 58 R N -0.582 119.908 120.500 -0.017 0.000 2.133 58 R HA -0.238 4.102 4.340 0.000 0.000 0.247 58 R C 1.817 178.108 176.300 -0.014 0.000 1.151 58 R CA 2.051 58.141 56.100 -0.018 0.000 0.971 58 R CB -0.232 30.058 30.300 -0.017 0.000 0.866 58 R HN 0.446 nan 8.270 nan 0.000 0.447 59 E N -0.009 120.185 120.200 -0.010 0.000 2.285 59 E HA 0.039 4.389 4.350 0.000 0.000 0.194 59 E C -0.020 176.576 176.600 -0.007 0.000 0.997 59 E CA 0.289 56.685 56.400 -0.007 0.000 0.845 59 E CB 0.141 29.839 29.700 -0.004 0.000 0.782 59 E HN 0.239 nan 8.360 nan 0.000 0.491 60 I N 1.683 122.248 120.570 -0.008 0.000 2.496 60 I HA 0.157 4.327 4.170 0.000 0.000 0.285 60 I C 0.189 176.301 176.117 -0.009 0.000 1.080 60 I CA 0.380 61.675 61.300 -0.007 0.000 1.404 60 I CB 0.524 38.520 38.000 -0.007 0.000 1.403 60 I HN 0.051 nan 8.210 nan 0.000 0.539 61 E N 6.897 127.092 120.200 -0.008 0.000 2.406 61 E HA 0.396 4.746 4.350 0.000 0.000 0.297 61 E C -1.790 174.805 176.600 -0.007 0.000 0.917 61 E CA -0.509 55.886 56.400 -0.010 0.000 0.795 61 E CB 1.658 31.351 29.700 -0.012 0.000 1.285 61 E HN 0.449 nan 8.360 nan 0.000 0.400 62 L N 3.108 124.327 121.223 -0.007 0.000 2.387 62 L HA 0.405 4.745 4.340 0.000 0.000 0.266 62 L C 1.614 178.480 176.870 -0.006 0.000 1.059 62 L CA -0.436 54.403 54.840 -0.002 0.000 0.801 62 L CB 1.252 43.315 42.059 0.007 0.000 1.223 62 L HN 0.720 nan 8.230 nan 0.000 0.456 63 E N 0.434 120.633 120.200 -0.001 0.000 2.028 63 E HA -0.175 4.175 4.350 0.000 0.000 0.190 63 E C 0.370 176.968 176.600 -0.003 0.000 0.984 63 E CA 0.564 56.962 56.400 -0.004 0.000 0.800 63 E CB 0.243 29.944 29.700 0.001 0.000 0.758 63 E HN 0.639 nan 8.360 nan 0.000 0.448 64 D N 1.746 122.156 120.400 0.015 0.000 2.348 64 D HA -0.013 4.627 4.640 0.000 0.000 0.259 64 D C -0.636 175.678 176.300 0.024 0.000 1.296 64 D CA 0.091 54.114 54.000 0.038 0.000 0.931 64 D CB 0.213 41.055 40.800 0.071 0.000 1.067 64 D HN 0.079 nan 8.370 nan 0.000 0.503 65 K N 2.666 123.029 120.400 -0.061 0.000 2.323 65 K HA 0.040 4.360 4.320 0.000 0.000 0.259 65 K C 0.727 177.240 176.600 -0.145 0.000 0.993 65 K CA -0.354 55.824 56.287 -0.182 0.000 0.866 65 K CB 0.387 32.684 32.500 -0.338 0.000 0.997 65 K HN 0.308 nan 8.250 nan 0.000 0.524 66 F N -1.652 118.283 119.950 -0.024 0.000 2.529 66 F HA -0.388 4.139 4.527 0.000 0.000 0.750 66 F C 2.018 177.807 175.800 -0.018 0.000 0.485 66 F CA 1.797 59.781 58.000 -0.026 0.000 0.753 66 F CB -1.594 37.389 39.000 -0.029 0.000 1.605 66 F HN 0.783 nan 8.300 nan 0.000 0.278 67 E N 0.181 120.510 120.200 0.216 0.000 2.136 67 E HA -0.345 4.006 4.350 0.000 0.000 0.208 67 E C 1.649 178.285 176.600 0.060 0.000 1.035 67 E CA 2.043 58.505 56.400 0.103 0.000 0.838 67 E CB -0.370 29.378 29.700 0.080 0.000 0.748 67 E HN 0.475 nan 8.360 nan 0.000 0.459 68 N N -0.100 118.620 118.700 0.034 0.000 2.025 68 N HA -0.176 4.564 4.740 0.000 0.000 0.194 68 N C 1.779 177.291 175.510 0.003 0.000 1.044 68 N CA 1.697 54.748 53.050 0.002 0.000 0.851 68 N CB -0.088 38.382 38.487 -0.028 0.000 1.036 68 N HN 0.118 nan 8.380 nan 0.000 0.422 69 M N -0.515 119.085 119.600 0.000 0.000 2.108 69 M HA -0.145 4.335 4.480 0.000 0.000 0.257 69 M C 2.214 178.527 176.300 0.022 0.000 1.071 69 M CA 1.808 57.110 55.300 0.004 0.000 1.093 69 M CB -0.999 31.611 32.600 0.015 0.000 1.345 69 M HN 0.348 nan 8.290 nan 0.000 0.403 70 G N 0.074 108.899 108.800 0.042 0.000 2.491 70 G HA2 -0.211 3.749 3.960 0.000 0.000 0.218 70 G HA3 -0.211 3.749 3.960 0.000 0.000 0.218 70 G C 1.605 176.518 174.900 0.021 0.000 1.180 70 G CA 1.382 46.505 45.100 0.037 0.000 0.774 70 G HN 0.570 nan 8.290 nan 0.000 0.562 71 A N -0.374 122.456 122.820 0.016 0.000 1.874 71 A HA 0.030 4.350 4.320 0.000 0.000 0.214 71 A C 2.367 179.951 177.584 -0.001 0.000 1.189 71 A CA 1.725 53.766 52.037 0.007 0.000 0.615 71 A CB -0.368 18.635 19.000 0.005 0.000 0.830 71 A HN 0.297 nan 8.150 nan 0.000 0.443 72 Q N -0.714 119.083 119.800 -0.004 0.000 2.248 72 Q HA -0.192 4.148 4.340 0.000 0.000 0.208 72 Q C 1.973 177.967 176.000 -0.010 0.000 0.984 72 Q CA 1.582 57.378 55.803 -0.011 0.000 0.875 72 Q CB -0.479 28.250 28.738 -0.016 0.000 0.910 72 Q HN 0.763 nan 8.270 nan 0.000 0.433 73 M N -0.717 118.882 119.600 -0.001 0.000 2.134 73 M HA -0.125 4.355 4.480 0.000 0.000 0.262 73 M C 2.238 178.537 176.300 -0.002 0.000 1.076 73 M CA 0.928 56.230 55.300 0.002 0.000 1.143 73 M CB -0.064 32.544 32.600 0.013 0.000 1.346 73 M HN -0.051 nan 8.290 nan 0.000 0.421 74 V N 0.655 120.570 119.914 0.002 0.000 2.287 74 V HA -0.328 3.792 4.120 0.000 0.000 0.248 74 V C 2.140 178.223 176.094 -0.018 0.000 1.053 74 V CA 1.843 64.142 62.300 -0.001 0.000 1.027 74 V CB -0.778 31.048 31.823 0.005 0.000 0.646 74 V HN 0.442 nan 8.190 nan 0.000 0.447 75 K N -0.390 119.998 120.400 -0.020 0.000 2.089 75 K HA -0.285 4.035 4.320 0.000 0.000 0.210 75 K C 2.282 178.851 176.600 -0.051 0.000 1.048 75 K CA 2.087 58.354 56.287 -0.033 0.000 0.926 75 K CB -0.218 32.266 32.500 -0.027 0.000 0.714 75 K HN 0.543 nan 8.250 nan 0.000 0.448 76 E N 0.422 120.594 120.200 -0.047 0.000 2.072 76 E HA -0.143 4.207 4.350 0.000 0.000 0.190 76 E C 2.044 178.575 176.600 -0.115 0.000 0.982 76 E CA 0.749 57.109 56.400 -0.066 0.000 0.803 76 E CB 0.199 29.872 29.700 -0.044 0.000 0.755 76 E HN 0.046 nan 8.360 nan 0.000 0.453 77 V N 1.197 121.051 119.914 -0.100 0.000 2.237 77 V HA -0.292 3.828 4.120 0.000 0.000 0.245 77 V C 2.422 178.347 176.094 -0.282 0.000 1.046 77 V CA 2.022 64.227 62.300 -0.159 0.000 1.007 77 V CB -0.679 31.135 31.823 -0.014 0.000 0.638 77 V HN 0.423 nan 8.190 nan 0.000 0.445 78 A N -0.910 121.825 122.820 -0.141 0.000 2.032 78 A HA -0.256 4.064 4.320 0.000 0.000 0.221 78 A C 2.540 180.024 177.584 -0.166 0.000 1.165 78 A CA 2.371 54.334 52.037 -0.124 0.000 0.645 78 A CB -0.706 18.261 19.000 -0.054 0.000 0.807 78 A HN 0.580 nan 8.150 nan 0.000 0.453 79 S N -0.789 114.810 115.700 -0.169 0.000 2.387 79 S HA -0.125 4.345 4.470 0.000 0.000 0.226 79 S C 1.997 176.475 174.600 -0.204 0.000 1.026 79 S CA 1.535 59.647 58.200 -0.148 0.000 0.972 79 S CB -0.288 62.848 63.200 -0.106 0.000 0.814 79 S HN 0.579 nan 8.310 nan 0.000 0.477 80 K N 0.696 120.900 120.400 -0.327 0.000 2.147 80 K HA -0.005 4.315 4.320 0.000 0.000 0.205 80 K C 2.327 178.650 176.600 -0.462 0.000 1.049 80 K CA 1.019 57.051 56.287 -0.426 0.000 0.936 80 K CB -0.446 31.668 32.500 -0.643 0.000 0.722 80 K HN 0.479 nan 8.250 nan 0.000 0.446 81 A N 1.896 124.392 122.820 -0.540 0.000 1.873 81 A HA -0.274 4.046 4.320 0.000 0.000 0.218 81 A C 1.973 179.530 177.584 -0.044 0.000 1.193 81 A CA 1.923 53.892 52.037 -0.113 0.000 0.629 81 A CB -0.821 18.179 19.000 0.001 0.000 0.826 81 A HN 0.345 nan 8.150 nan 0.000 0.447 82 N N 0.078 118.721 118.700 -0.096 0.000 2.149 82 N HA -0.175 4.565 4.740 0.000 0.000 0.188 82 N C 0.840 176.301 175.510 -0.080 0.000 1.019 82 N CA 1.756 54.754 53.050 -0.088 0.000 0.857 82 N CB -0.324 38.105 38.487 -0.096 0.000 0.997 82 N HN 0.444 nan 8.380 nan 0.000 0.426 83 D N -0.058 120.298 120.400 -0.073 0.000 2.269 83 D HA -0.008 4.632 4.640 0.000 0.000 0.208 83 D C 0.401 176.709 176.300 0.012 0.000 0.963 83 D CA 0.466 54.446 54.000 -0.034 0.000 0.864 83 D CB -0.011 40.765 40.800 -0.040 0.000 0.936 83 D HN 0.246 nan 8.370 nan 0.000 0.505 84 A N -0.561 122.279 122.820 0.033 0.000 3.215 84 A HA 0.733 5.053 4.320 0.000 0.000 0.320 84 A C 0.583 178.212 177.584 0.075 0.000 1.084 84 A CA 0.371 52.457 52.037 0.082 0.000 0.969 84 A CB 0.200 19.293 19.000 0.154 0.000 1.064 84 A HN 0.106 nan 8.150 nan 0.000 0.513 85 A N -0.907 121.943 122.820 0.050 0.000 3.531 85 A HA 0.477 4.797 4.320 0.000 0.000 0.103 85 A C 1.259 178.830 177.584 -0.022 0.000 1.307 85 A CA 0.864 52.920 52.037 0.032 0.000 1.258 85 A CB -0.959 18.055 19.000 0.024 0.000 0.953 85 A HN 2.109 nan 8.150 nan 0.000 0.444 86 G N -0.654 108.062 108.800 -0.141 0.000 2.370 86 G HA2 0.228 4.188 3.960 0.000 0.000 0.174 86 G HA3 0.228 4.188 3.960 0.000 0.000 0.174 86 G C -0.405 174.361 174.900 -0.223 0.000 1.002 86 G CA 1.003 45.876 45.100 -0.378 0.000 0.730 86 G HN 1.030 nan 8.290 nan 0.000 0.497 87 D N -1.869 118.464 120.400 -0.112 0.000 2.768 87 D HA 0.519 5.159 4.640 0.000 0.000 0.327 87 D C 0.968 177.243 176.300 -0.042 0.000 1.302 87 D CA 0.464 54.422 54.000 -0.071 0.000 0.897 87 D CB 1.081 41.854 40.800 -0.045 0.000 1.420 87 D HN 1.136 nan 8.370 nan 0.000 0.494 88 G N -0.406 108.377 108.800 -0.028 0.000 2.184 88 G HA2 -0.277 3.683 3.960 0.000 0.000 0.206 88 G HA3 -0.277 3.683 3.960 0.000 0.000 0.206 88 G C 1.065 175.958 174.900 -0.013 0.000 0.995 88 G CA 0.893 45.987 45.100 -0.009 0.000 0.651 88 G HN 0.487 nan 8.290 nan 0.000 0.511 89 T N 1.366 115.902 114.554 -0.031 0.000 2.649 89 T HA -0.210 4.140 4.350 0.000 0.000 0.268 89 T C 2.537 177.223 174.700 -0.024 0.000 1.036 89 T CA 2.717 64.794 62.100 -0.038 0.000 1.157 89 T CB -0.529 68.311 68.868 -0.047 0.000 0.861 89 T HN 0.569 nan 8.240 nan 0.000 0.445 90 T N 1.422 115.965 114.554 -0.018 0.000 2.821 90 T HA -0.079 4.271 4.350 0.000 0.000 0.267 90 T C 2.278 176.976 174.700 -0.002 0.000 1.046 90 T CA 1.517 63.611 62.100 -0.011 0.000 1.139 90 T CB -0.629 68.233 68.868 -0.010 0.000 0.871 90 T HN 0.423 nan 8.240 nan 0.000 0.454 91 T N 2.286 116.841 114.554 0.001 0.000 2.643 91 T HA -0.011 4.339 4.350 0.000 0.000 0.264 91 T C 2.471 177.181 174.700 0.017 0.000 1.045 91 T CA 1.178 63.284 62.100 0.010 0.000 1.155 91 T CB -0.848 68.027 68.868 0.012 0.000 0.863 91 T HN 0.422 nan 8.240 nan 0.000 0.420 92 A N 1.651 124.484 122.820 0.022 0.000 1.900 92 A HA -0.325 3.995 4.320 0.000 0.000 0.225 92 A C 2.512 180.110 177.584 0.023 0.000 1.414 92 A CA 2.979 55.035 52.037 0.032 0.000 0.702 92 A CB -1.730 17.282 19.000 0.021 0.000 0.845 92 A HN 0.517 nan 8.150 nan 0.000 0.478 93 T N -0.553 114.005 114.554 0.007 0.000 2.652 93 T HA -0.144 4.206 4.350 0.000 0.000 0.267 93 T C 1.883 176.589 174.700 0.009 0.000 1.039 93 T CA 1.843 63.946 62.100 0.005 0.000 1.153 93 T CB -0.637 68.230 68.868 -0.003 0.000 0.863 93 T HN 0.225 nan 8.240 nan 0.000 0.428 94 V N 1.229 121.148 119.914 0.009 0.000 2.392 94 V HA -0.127 3.993 4.120 0.000 0.000 0.249 94 V C 2.414 178.516 176.094 0.013 0.000 1.059 94 V CA 1.506 63.811 62.300 0.010 0.000 1.051 94 V CB -0.666 31.162 31.823 0.009 0.000 0.658 94 V HN 0.403 nan 8.190 nan 0.000 0.455 95 L N -0.311 120.923 121.223 0.018 0.000 2.162 95 L HA 0.013 4.354 4.340 0.000 0.000 0.205 95 L C 2.718 179.602 176.870 0.022 0.000 1.086 95 L CA 1.155 56.007 54.840 0.020 0.000 0.778 95 L CB -0.712 41.362 42.059 0.025 0.000 0.928 95 L HN 0.305 nan 8.230 nan 0.000 0.446 96 A N -0.334 122.502 122.820 0.026 0.000 1.892 96 A HA -0.328 3.993 4.320 0.000 0.000 0.218 96 A C 2.257 179.853 177.584 0.020 0.000 1.188 96 A CA 2.134 54.188 52.037 0.027 0.000 0.631 96 A CB -0.715 18.302 19.000 0.029 0.000 0.822 96 A HN 0.502 nan 8.150 nan 0.000 0.447 97 Q N -0.685 119.124 119.800 0.016 0.000 2.181 97 Q HA -0.159 4.181 4.340 0.000 0.000 0.205 97 Q C 2.130 178.138 176.000 0.013 0.000 0.980 97 Q CA 1.610 57.421 55.803 0.013 0.000 0.862 97 Q CB -0.292 28.453 28.738 0.010 0.000 0.905 97 Q HN 0.635 nan 8.270 nan 0.000 0.429 98 A N 0.433 123.261 122.820 0.013 0.000 1.898 98 A HA -0.075 4.245 4.320 0.000 0.000 0.214 98 A C 1.917 179.508 177.584 0.012 0.000 1.183 98 A CA 0.952 52.996 52.037 0.012 0.000 0.622 98 A CB -0.382 18.625 19.000 0.012 0.000 0.824 98 A HN 0.417 nan 8.150 nan 0.000 0.444 99 I N -0.196 120.383 120.570 0.014 0.000 2.193 99 I HA -0.195 3.975 4.170 0.000 0.000 0.240 99 I C 2.250 178.375 176.117 0.014 0.000 1.084 99 I CA 1.164 62.472 61.300 0.014 0.000 1.365 99 I CB -0.488 37.522 38.000 0.017 0.000 1.064 99 I HN 0.230 nan 8.210 nan 0.000 0.410 100 I N 0.634 121.213 120.570 0.015 0.000 2.151 100 I HA -0.337 3.833 4.170 0.000 0.000 0.243 100 I C 2.650 178.774 176.117 0.012 0.000 1.080 100 I CA 1.759 63.068 61.300 0.015 0.000 1.339 100 I CB -0.835 37.175 38.000 0.016 0.000 1.039 100 I HN 0.279 nan 8.210 nan 0.000 0.409 101 T N -0.003 114.557 114.554 0.011 0.000 2.720 101 T HA -0.171 4.179 4.350 0.000 0.000 0.268 101 T C 1.861 176.566 174.700 0.008 0.000 1.037 101 T CA 1.433 63.538 62.100 0.009 0.000 1.144 101 T CB -0.092 68.781 68.868 0.008 0.000 0.864 101 T HN 0.293 nan 8.240 nan 0.000 0.444 102 E N 0.066 120.271 120.200 0.008 0.000 2.102 102 E HA 0.120 4.470 4.350 0.000 0.000 0.190 102 E C 2.478 179.082 176.600 0.007 0.000 0.971 102 E CA 0.744 57.148 56.400 0.007 0.000 0.821 102 E CB -0.844 28.860 29.700 0.007 0.000 0.777 102 E HN 0.500 nan 8.360 nan 0.000 0.460 103 G N 1.828 110.633 108.800 0.009 0.000 2.514 103 G HA2 -0.258 3.702 3.960 0.000 0.000 0.217 103 G HA3 -0.258 3.702 3.960 0.000 0.000 0.217 103 G C 1.519 176.424 174.900 0.009 0.000 1.198 103 G CA 0.755 45.861 45.100 0.009 0.000 0.780 103 G HN 0.176 nan 8.290 nan 0.000 0.565 104 L N 0.892 122.120 121.223 0.009 0.000 2.083 104 L HA 0.024 4.364 4.340 0.000 0.000 0.209 104 L C 2.679 179.553 176.870 0.006 0.000 1.083 104 L CA 1.889 56.734 54.840 0.008 0.000 0.752 104 L CB -0.738 41.326 42.059 0.008 0.000 0.899 104 L HN 0.315 nan 8.230 nan 0.000 0.433 105 K N -0.825 119.579 120.400 0.006 0.000 2.057 105 K HA -0.160 4.160 4.320 0.000 0.000 0.207 105 K C 2.070 178.672 176.600 0.004 0.000 1.049 105 K CA 1.260 57.549 56.287 0.004 0.000 0.931 105 K CB -0.061 32.441 32.500 0.004 0.000 0.714 105 K HN 0.272 nan 8.250 nan 0.000 0.440 106 A N 0.986 123.808 122.820 0.005 0.000 1.883 106 A HA -0.170 4.150 4.320 0.000 0.000 0.217 106 A C 2.275 179.862 177.584 0.004 0.000 1.186 106 A CA 2.043 54.082 52.037 0.004 0.000 0.624 106 A CB -1.102 17.901 19.000 0.005 0.000 0.822 106 A HN 0.346 nan 8.150 nan 0.000 0.444 107 V N -1.600 118.317 119.914 0.005 0.000 2.427 107 V HA -0.027 4.093 4.120 0.000 0.000 0.248 107 V C 2.398 178.494 176.094 0.004 0.000 1.051 107 V CA 2.265 64.568 62.300 0.006 0.000 1.048 107 V CB -1.021 30.807 31.823 0.008 0.000 0.666 107 V HN 0.593 nan 8.190 nan 0.000 0.456 108 A N -0.202 122.621 122.820 0.004 0.000 2.168 108 A HA 0.426 4.746 4.320 0.000 0.000 0.215 108 A C 2.279 179.863 177.584 0.001 0.000 1.152 108 A CA 1.413 53.451 52.037 0.002 0.000 0.716 108 A CB -0.673 18.328 19.000 0.001 0.000 0.794 108 A HN 1.051 nan 8.150 nan 0.000 0.465 109 A N -1.760 121.061 122.820 0.002 0.000 2.147 109 A HA 0.443 4.763 4.320 0.000 0.000 0.211 109 A C 1.547 179.132 177.584 0.001 0.000 1.160 109 A CA 1.132 53.169 52.037 0.001 0.000 0.781 109 A CB -0.359 18.642 19.000 0.001 0.000 0.842 109 A HN 1.735 nan 8.150 nan 0.000 0.475 110 G N -1.300 107.500 108.800 0.001 0.000 2.186 110 G HA2 -0.119 3.841 3.960 0.000 0.000 0.130 110 G HA3 -0.119 3.841 3.960 0.000 0.000 0.130 110 G C -0.105 174.795 174.900 0.001 0.000 1.031 110 G CA 0.069 45.169 45.100 0.000 0.000 0.697 110 G HN 0.286 nan 8.290 nan 0.000 0.494 111 M N -0.034 119.567 119.600 0.002 0.000 2.762 111 M HA 0.425 4.905 4.480 0.000 0.000 0.306 111 M C 0.198 176.500 176.300 0.003 0.000 1.223 111 M CA -1.000 54.301 55.300 0.002 0.000 0.896 111 M CB 1.213 33.814 32.600 0.003 0.000 1.684 111 M HN 0.078 nan 8.290 nan 0.000 0.491 112 N N 1.716 120.417 118.700 0.003 0.000 2.401 112 N HA 0.185 4.925 4.740 0.000 0.000 0.255 112 N C -2.195 173.318 175.510 0.005 0.000 1.110 112 N CA -1.432 51.620 53.050 0.004 0.000 0.949 112 N CB 1.248 39.737 38.487 0.003 0.000 1.110 112 N HN 0.241 nan 8.380 nan 0.000 0.490 113 P HA -0.092 nan 4.420 nan 0.000 0.218 113 P C 1.257 178.562 177.300 0.009 0.000 1.148 113 P CA 1.071 64.176 63.100 0.009 0.000 0.822 113 P CB 0.300 32.007 31.700 0.011 0.000 0.784 114 M N -1.126 118.479 119.600 0.008 0.000 2.349 114 M HA -0.058 4.422 4.480 0.000 0.000 0.266 114 M C 1.301 177.605 176.300 0.006 0.000 1.076 114 M CA 1.497 56.801 55.300 0.007 0.000 1.126 114 M CB -0.609 31.995 32.600 0.007 0.000 1.392 114 M HN -0.215 nan 8.290 nan 0.000 0.440 115 D N -0.312 120.091 120.400 0.005 0.000 2.120 115 D HA -0.072 4.568 4.640 0.000 0.000 0.202 115 D C 2.029 178.331 176.300 0.005 0.000 0.972 115 D CA 1.201 55.203 54.000 0.004 0.000 0.837 115 D CB -0.249 40.553 40.800 0.003 0.000 0.989 115 D HN 0.323 nan 8.370 nan 0.000 0.469 116 L N 0.931 122.157 121.223 0.005 0.000 2.043 116 L HA -0.216 4.124 4.340 0.000 0.000 0.212 116 L C 2.553 179.427 176.870 0.007 0.000 1.075 116 L CA 1.293 56.136 54.840 0.006 0.000 0.752 116 L CB -0.282 41.781 42.059 0.007 0.000 0.891 116 L HN 0.003 nan 8.230 nan 0.000 0.432 117 K N 0.158 120.563 120.400 0.007 0.000 2.001 117 K HA -0.206 4.114 4.320 0.000 0.000 0.208 117 K C 2.317 178.920 176.600 0.005 0.000 1.048 117 K CA 1.158 57.449 56.287 0.007 0.000 0.932 117 K CB -0.056 32.450 32.500 0.009 0.000 0.715 117 K HN 0.029 nan 8.250 nan 0.000 0.437 118 R N -0.058 120.445 120.500 0.004 0.000 2.112 118 R HA -0.177 4.163 4.340 0.000 0.000 0.242 118 R C 2.296 178.598 176.300 0.002 0.000 1.137 118 R CA 2.014 58.116 56.100 0.003 0.000 0.944 118 R CB -0.811 29.491 30.300 0.002 0.000 0.857 118 R HN 0.473 nan 8.270 nan 0.000 0.435 119 G N 0.850 109.652 108.800 0.003 0.000 2.545 119 G HA2 -0.307 3.653 3.960 0.000 0.000 0.217 119 G HA3 -0.307 3.653 3.960 0.000 0.000 0.217 119 G C 1.431 176.333 174.900 0.003 0.000 1.218 119 G CA 1.297 46.399 45.100 0.003 0.000 0.787 119 G HN 0.317 nan 8.290 nan 0.000 0.571 120 I N 1.289 121.862 120.570 0.004 0.000 2.181 120 I HA -0.262 3.908 4.170 0.000 0.000 0.247 120 I C 2.298 178.416 176.117 0.002 0.000 1.081 120 I CA 1.810 63.112 61.300 0.004 0.000 1.340 120 I CB -0.133 37.870 38.000 0.007 0.000 1.036 120 I HN 0.160 nan 8.210 nan 0.000 0.417 121 D N 0.108 120.508 120.400 0.000 0.000 2.149 121 D HA -0.160 4.480 4.640 0.000 0.000 0.201 121 D C 2.061 178.359 176.300 -0.005 0.000 0.972 121 D CA 0.900 54.898 54.000 -0.004 0.000 0.835 121 D CB -0.184 40.613 40.800 -0.005 0.000 0.966 121 D HN 0.350 nan 8.370 nan 0.000 0.476 122 K N 1.079 121.477 120.400 -0.002 0.000 2.026 122 K HA -0.114 4.206 4.320 0.000 0.000 0.208 122 K C 2.096 178.695 176.600 -0.001 0.000 1.048 122 K CA 1.242 57.528 56.287 -0.002 0.000 0.929 122 K CB -0.010 32.490 32.500 -0.000 0.000 0.713 122 K HN -0.014 nan 8.250 nan 0.000 0.439 123 A N 0.606 123.426 122.820 0.000 0.000 1.883 123 A HA -0.159 4.161 4.320 0.000 0.000 0.217 123 A C 2.244 179.828 177.584 0.000 0.000 1.186 123 A CA 1.970 54.008 52.037 0.002 0.000 0.624 123 A CB -0.840 18.162 19.000 0.003 0.000 0.822 123 A HN 0.183 nan 8.150 nan 0.000 0.444 124 V N -0.334 119.579 119.914 -0.002 0.000 2.343 124 V HA -0.244 3.876 4.120 0.000 0.000 0.247 124 V C 2.713 178.801 176.094 -0.010 0.000 1.051 124 V CA 2.462 64.759 62.300 -0.006 0.000 1.036 124 V CB -1.397 30.419 31.823 -0.011 0.000 0.654 124 V HN 0.619 nan 8.190 nan 0.000 0.451 125 T N 0.403 114.951 114.554 -0.010 0.000 2.684 125 T HA -0.210 4.141 4.350 0.000 0.000 0.267 125 T C 2.068 176.765 174.700 -0.006 0.000 1.036 125 T CA 1.873 63.967 62.100 -0.010 0.000 1.148 125 T CB -0.437 68.426 68.868 -0.009 0.000 0.863 125 T HN 0.597 nan 8.240 nan 0.000 0.436 126 A N 1.421 124.239 122.820 -0.003 0.000 1.855 126 A HA 0.178 4.498 4.320 0.000 0.000 0.215 126 A C 2.676 180.261 177.584 0.002 0.000 1.191 126 A CA 1.901 53.938 52.037 0.000 0.000 0.613 126 A CB -1.258 17.743 19.000 0.002 0.000 0.829 126 A HN 0.504 nan 8.150 nan 0.000 0.442 127 A N -0.559 122.262 122.820 0.002 0.000 1.908 127 A HA -0.059 4.261 4.320 0.000 0.000 0.218 127 A C 2.213 179.799 177.584 0.002 0.000 1.181 127 A CA 1.949 53.989 52.037 0.004 0.000 0.627 127 A CB -1.008 17.995 19.000 0.005 0.000 0.818 127 A HN 0.444 nan 8.150 nan 0.000 0.445 128 V N 0.097 120.009 119.914 -0.003 0.000 2.407 128 V HA -0.207 3.913 4.120 0.000 0.000 0.248 128 V C 2.576 178.669 176.094 -0.001 0.000 1.055 128 V CA 2.075 64.372 62.300 -0.005 0.000 1.049 128 V CB -0.724 31.090 31.823 -0.014 0.000 0.662 128 V HN 0.484 nan 8.190 nan 0.000 0.455 129 E N 0.109 120.308 120.200 -0.001 0.000 2.012 129 E HA -0.196 4.154 4.350 0.000 0.000 0.197 129 E C 2.294 178.897 176.600 0.005 0.000 1.007 129 E CA 1.161 57.562 56.400 0.002 0.000 0.816 129 E CB -0.545 29.156 29.700 0.002 0.000 0.762 129 E HN 0.532 nan 8.360 nan 0.000 0.451 130 E N 0.467 120.671 120.200 0.007 0.000 2.136 130 E HA -0.227 4.123 4.350 0.000 0.000 0.202 130 E C 2.269 178.876 176.600 0.012 0.000 1.019 130 E CA 0.804 57.210 56.400 0.010 0.000 0.819 130 E CB -0.434 29.273 29.700 0.011 0.000 0.739 130 E HN 0.126 nan 8.360 nan 0.000 0.458 131 L N 1.255 122.485 121.223 0.011 0.000 2.017 131 L HA -0.192 4.148 4.340 0.000 0.000 0.208 131 L C 2.251 179.128 176.870 0.012 0.000 1.073 131 L CA 1.754 56.601 54.840 0.012 0.000 0.745 131 L CB -0.252 41.813 42.059 0.010 0.000 0.894 131 L HN 0.025 nan 8.230 nan 0.000 0.432 132 K N -1.059 119.346 120.400 0.009 0.000 2.209 132 K HA -0.124 4.196 4.320 0.000 0.000 0.204 132 K C 1.997 178.603 176.600 0.010 0.000 1.048 132 K CA 1.090 57.382 56.287 0.009 0.000 0.940 132 K CB -0.261 32.242 32.500 0.006 0.000 0.729 132 K HN 0.400 nan 8.250 nan 0.000 0.451 133 A N 1.365 124.191 122.820 0.011 0.000 1.874 133 A HA -0.086 4.234 4.320 0.000 0.000 0.214 133 A C 2.062 179.655 177.584 0.015 0.000 1.189 133 A CA 0.794 52.838 52.037 0.012 0.000 0.615 133 A CB -0.379 18.628 19.000 0.011 0.000 0.830 133 A HN 0.242 nan 8.150 nan 0.000 0.443 134 L N 0.245 121.478 121.223 0.017 0.000 2.291 134 L HA 0.090 4.430 4.340 0.000 0.000 0.214 134 L C 1.356 178.239 176.870 0.021 0.000 1.120 134 L CA 1.235 56.088 54.840 0.022 0.000 0.799 134 L CB -0.557 41.518 42.059 0.025 0.000 0.925 134 L HN 0.257 nan 8.230 nan 0.000 0.446 135 S N -0.300 115.411 115.700 0.018 0.000 2.575 135 S HA 0.114 4.584 4.470 0.000 0.000 0.295 135 S C -0.088 174.522 174.600 0.016 0.000 1.267 135 S CA -0.481 57.729 58.200 0.017 0.000 1.074 135 S CB 0.038 63.246 63.200 0.014 0.000 0.829 135 S HN 0.110 nan 8.310 nan 0.000 0.497 136 V N 9.150 129.075 119.914 0.017 0.000 2.350 136 V HA 0.344 4.464 4.120 0.000 0.000 0.276 136 V C -1.893 174.209 176.094 0.014 0.000 1.028 136 V CA -1.812 60.497 62.300 0.016 0.000 0.860 136 V CB 0.987 32.820 31.823 0.017 0.000 0.990 136 V HN 0.787 nan 8.190 nan 0.000 0.453 137 P HA 0.064 nan 4.420 nan 0.000 0.269 137 P C -0.546 176.761 177.300 0.011 0.000 1.211 137 P CA -0.056 63.051 63.100 0.011 0.000 0.781 137 P CB 0.334 32.040 31.700 0.010 0.000 0.877 138 C N 1.625 120.931 119.300 0.011 0.000 2.781 138 C HA 0.595 5.055 4.460 0.000 0.000 0.348 138 C C 0.928 175.924 174.990 0.009 0.000 1.051 138 C CA 0.419 59.443 59.018 0.010 0.000 1.347 138 C CB -0.379 27.368 27.740 0.011 0.000 1.846 138 C HN 0.632 nan 8.230 nan 0.000 0.473 139 S N 2.913 118.618 115.700 0.008 0.000 3.056 139 S HA 0.225 4.695 4.470 0.000 0.000 0.255 139 S C 0.253 174.856 174.600 0.005 0.000 1.079 139 S CA 0.678 58.882 58.200 0.007 0.000 0.810 139 S CB -0.085 63.119 63.200 0.006 0.000 0.810 139 S HN 0.950 nan 8.310 nan 0.000 0.477 140 D N 1.246 121.649 120.400 0.005 0.000 2.354 140 D HA 0.340 4.980 4.640 0.000 0.000 0.247 140 D C 0.880 177.182 176.300 0.003 0.000 1.138 140 D CA -0.146 53.856 54.000 0.004 0.000 0.958 140 D CB 0.998 41.801 40.800 0.004 0.000 1.144 140 D HN 0.103 nan 8.370 nan 0.000 0.458 141 S N -0.014 115.688 115.700 0.003 0.000 2.383 141 S HA -0.210 4.260 4.470 0.000 0.000 0.229 141 S C 1.603 176.204 174.600 0.003 0.000 1.030 141 S CA 1.453 59.655 58.200 0.002 0.000 1.002 141 S CB -0.292 62.909 63.200 0.001 0.000 0.829 141 S HN 0.611 nan 8.310 nan 0.000 0.467 142 K N 0.873 121.274 120.400 0.003 0.000 2.063 142 K HA -0.093 4.227 4.320 0.000 0.000 0.208 142 K C 2.060 178.662 176.600 0.004 0.000 1.048 142 K CA 1.364 57.654 56.287 0.003 0.000 0.928 142 K CB -0.309 32.194 32.500 0.004 0.000 0.713 142 K HN 0.327 nan 8.250 nan 0.000 0.442 143 A N 0.744 123.567 122.820 0.005 0.000 1.930 143 A HA -0.057 4.263 4.320 0.000 0.000 0.215 143 A C 1.915 179.503 177.584 0.006 0.000 1.176 143 A CA 0.816 52.857 52.037 0.006 0.000 0.632 143 A CB -0.363 18.642 19.000 0.007 0.000 0.819 143 A HN 0.210 nan 8.150 nan 0.000 0.445 144 I N 0.504 121.077 120.570 0.006 0.000 2.069 144 I HA -0.290 3.880 4.170 0.000 0.000 0.237 144 I C 3.004 179.124 176.117 0.005 0.000 1.053 144 I CA 1.585 62.888 61.300 0.005 0.000 1.311 144 I CB -1.717 36.285 38.000 0.004 0.000 1.030 144 I HN 0.353 nan 8.210 nan 0.000 0.398 145 A N 0.018 122.840 122.820 0.004 0.000 1.927 145 A HA -0.312 4.008 4.320 0.000 0.000 0.220 145 A C 2.366 179.952 177.584 0.004 0.000 1.185 145 A CA 2.304 54.342 52.037 0.003 0.000 0.639 145 A CB -0.913 18.088 19.000 0.002 0.000 0.820 145 A HN 0.640 nan 8.150 nan 0.000 0.451 146 Q N -0.523 119.280 119.800 0.004 0.000 2.020 146 Q HA -0.137 4.203 4.340 0.000 0.000 0.202 146 Q C 2.046 178.049 176.000 0.005 0.000 0.982 146 Q CA 2.078 57.884 55.803 0.004 0.000 0.838 146 Q CB -0.250 28.491 28.738 0.005 0.000 0.899 146 Q HN 0.389 nan 8.270 nan 0.000 0.423 147 V N 0.593 120.512 119.914 0.007 0.000 2.407 147 V HA -0.194 3.926 4.120 0.000 0.000 0.248 147 V C 2.268 178.368 176.094 0.009 0.000 1.055 147 V CA 1.875 64.180 62.300 0.009 0.000 1.049 147 V CB -0.921 30.908 31.823 0.011 0.000 0.662 147 V HN 0.651 nan 8.190 nan 0.000 0.455 148 G N 0.042 108.847 108.800 0.008 0.000 2.459 148 G HA2 -0.337 3.623 3.960 0.000 0.000 0.217 148 G HA3 -0.337 3.623 3.960 0.000 0.000 0.217 148 G C 1.792 176.696 174.900 0.007 0.000 1.183 148 G CA 1.846 46.951 45.100 0.008 0.000 0.776 148 G HN 0.570 nan 8.290 nan 0.000 0.552 149 T N -0.441 114.115 114.554 0.004 0.000 2.821 149 T HA 0.007 4.357 4.350 0.000 0.000 0.267 149 T C 2.413 177.114 174.700 0.001 0.000 1.046 149 T CA 1.156 63.257 62.100 0.002 0.000 1.139 149 T CB -0.259 68.609 68.868 0.001 0.000 0.871 149 T HN 0.172 nan 8.240 nan 0.000 0.454 150 I N 1.266 121.837 120.570 0.001 0.000 2.361 150 I HA -0.107 4.063 4.170 0.000 0.000 0.251 150 I C 2.942 179.059 176.117 -0.001 0.000 1.133 150 I CA 1.070 62.369 61.300 -0.001 0.000 1.413 150 I CB -0.242 37.757 38.000 -0.001 0.000 1.073 150 I HN 0.286 nan 8.210 nan 0.000 0.424 151 S N -0.173 115.529 115.700 0.004 0.000 2.414 151 S HA 0.086 4.556 4.470 0.000 0.000 0.227 151 S C 1.889 176.493 174.600 0.007 0.000 1.022 151 S CA 0.884 59.088 58.200 0.007 0.000 0.958 151 S CB -0.051 63.158 63.200 0.015 0.000 0.797 151 S HN 0.450 nan 8.310 nan 0.000 0.493 152 A N 1.638 124.462 122.820 0.006 0.000 2.302 152 A HA 0.279 4.600 4.320 0.000 0.000 0.219 152 A C 0.488 178.072 177.584 0.000 0.000 1.243 152 A CA 0.018 52.058 52.037 0.005 0.000 0.856 152 A CB -0.776 18.227 19.000 0.005 0.000 0.893 152 A HN 0.745 nan 8.150 nan 0.000 0.491 153 N N 0.179 118.877 118.700 -0.002 0.000 2.469 153 N HA -0.190 4.550 4.740 0.000 0.000 0.283 153 N C -0.217 175.289 175.510 -0.006 0.000 1.326 153 N CA 0.445 53.492 53.050 -0.006 0.000 0.646 153 N CB -1.147 37.335 38.487 -0.007 0.000 0.894 153 N HN 0.397 nan 8.380 nan 0.000 0.533 154 S N 0.879 116.575 115.700 -0.007 0.000 3.427 154 S HA -0.211 4.259 4.470 0.000 0.000 0.373 154 S C -0.386 174.211 174.600 -0.004 0.000 0.973 154 S CA 1.211 59.408 58.200 -0.006 0.000 1.218 154 S CB -0.636 62.559 63.200 -0.008 0.000 0.912 154 S HN 0.706 nan 8.310 nan 0.000 0.483 155 D N 0.310 120.708 120.400 -0.002 0.000 2.432 155 D HA 0.317 4.957 4.640 0.000 0.000 0.265 155 D C 0.968 177.267 176.300 -0.001 0.000 1.160 155 D CA -0.578 53.421 54.000 -0.002 0.000 0.911 155 D CB 0.509 41.308 40.800 -0.001 0.000 1.052 155 D HN 0.369 nan 8.370 nan 0.000 0.508 156 E N 0.224 120.423 120.200 -0.001 0.000 2.114 156 E HA -0.255 4.095 4.350 0.000 0.000 0.199 156 E C 1.779 178.379 176.600 -0.000 0.000 1.008 156 E CA 2.022 58.422 56.400 -0.001 0.000 0.810 156 E CB 0.204 29.904 29.700 -0.001 0.000 0.739 156 E HN 0.594 nan 8.360 nan 0.000 0.456 157 T N -1.315 113.239 114.554 -0.001 0.000 2.849 157 T HA -0.129 4.221 4.350 0.000 0.000 0.270 157 T C 1.933 176.633 174.700 -0.001 0.000 1.066 157 T CA 1.296 63.395 62.100 -0.001 0.000 1.130 157 T CB -0.341 68.526 68.868 -0.001 0.000 0.864 157 T HN -0.024 nan 8.240 nan 0.000 0.481 158 V N 1.775 121.689 119.914 -0.000 0.000 2.255 158 V HA 0.107 4.227 4.120 0.000 0.000 0.243 158 V C 3.167 179.261 176.094 0.000 0.000 1.038 158 V CA 1.697 63.998 62.300 0.000 0.000 1.008 158 V CB -1.551 30.273 31.823 0.002 0.000 0.645 158 V HN 0.638 nan 8.190 nan 0.000 0.449 159 G N -0.320 108.480 108.800 0.001 0.000 2.529 159 G HA2 -0.381 3.579 3.960 0.000 0.000 0.219 159 G HA3 -0.381 3.579 3.960 0.000 0.000 0.219 159 G C 1.634 176.534 174.900 0.000 0.000 1.177 159 G CA 1.444 46.544 45.100 0.001 0.000 0.773 159 G HN 0.447 nan 8.290 nan 0.000 0.573 160 K N -0.660 119.740 120.400 -0.000 0.000 2.032 160 K HA -0.176 4.144 4.320 0.000 0.000 0.218 160 K C 2.526 179.124 176.600 -0.002 0.000 1.054 160 K CA 1.610 57.896 56.287 -0.001 0.000 0.941 160 K CB -0.295 32.204 32.500 -0.001 0.000 0.720 160 K HN 0.227 nan 8.250 nan 0.000 0.449 161 L N 1.097 122.318 121.223 -0.003 0.000 2.017 161 L HA -0.139 4.201 4.340 0.000 0.000 0.208 161 L C 2.267 179.134 176.870 -0.005 0.000 1.073 161 L CA 1.446 56.284 54.840 -0.004 0.000 0.745 161 L CB -0.641 41.415 42.059 -0.004 0.000 0.894 161 L HN 0.265 nan 8.230 nan 0.000 0.432 162 I N -0.690 119.877 120.570 -0.005 0.000 2.118 162 I HA -0.366 3.804 4.170 0.000 0.000 0.241 162 I C 2.523 178.637 176.117 -0.006 0.000 1.070 162 I CA 1.474 62.771 61.300 -0.006 0.000 1.327 162 I CB -0.481 37.517 38.000 -0.004 0.000 1.034 162 I HN 0.249 nan 8.210 nan 0.000 0.405 163 A N -0.167 122.652 122.820 -0.003 0.000 1.972 163 A HA -0.226 4.094 4.320 0.000 0.000 0.219 163 A C 2.193 179.775 177.584 -0.003 0.000 1.169 163 A CA 1.681 53.716 52.037 -0.002 0.000 0.635 163 A CB -0.530 18.469 19.000 -0.001 0.000 0.810 163 A HN 0.472 nan 8.150 nan 0.000 0.446 164 E N -0.606 119.591 120.200 -0.004 0.000 2.158 164 E HA 0.019 4.369 4.350 0.000 0.000 0.191 164 E C 2.251 178.848 176.600 -0.006 0.000 0.982 164 E CA 0.667 57.064 56.400 -0.004 0.000 0.823 164 E CB -0.156 29.542 29.700 -0.004 0.000 0.766 164 E HN 0.629 nan 8.360 nan 0.000 0.468 165 A N 0.931 123.747 122.820 -0.007 0.000 1.897 165 A HA -0.141 4.179 4.320 0.000 0.000 0.215 165 A C 2.123 179.702 177.584 -0.009 0.000 1.181 165 A CA 1.055 53.087 52.037 -0.009 0.000 0.620 165 A CB -0.338 18.655 19.000 -0.012 0.000 0.821 165 A HN 0.129 nan 8.150 nan 0.000 0.443 166 M N -0.857 118.738 119.600 -0.008 0.000 2.229 166 M HA -0.140 4.340 4.480 0.000 0.000 0.264 166 M C 1.690 177.987 176.300 -0.005 0.000 1.063 166 M CA 1.762 57.058 55.300 -0.007 0.000 1.114 166 M CB -0.686 31.910 32.600 -0.006 0.000 1.387 166 M HN 0.388 nan 8.290 nan 0.000 0.420 167 D N 0.902 121.299 120.400 -0.004 0.000 2.123 167 D HA -0.133 4.507 4.640 0.000 0.000 0.196 167 D C 2.015 178.313 176.300 -0.004 0.000 0.992 167 D CA 1.271 55.269 54.000 -0.004 0.000 0.833 167 D CB 0.223 41.021 40.800 -0.003 0.000 0.954 167 D HN 0.226 nan 8.370 nan 0.000 0.455 168 K N -0.804 119.593 120.400 -0.005 0.000 2.202 168 K HA 0.090 4.410 4.320 0.000 0.000 0.201 168 K C 1.335 177.932 176.600 -0.006 0.000 1.051 168 K CA 0.304 56.588 56.287 -0.005 0.000 0.977 168 K CB 0.583 33.080 32.500 -0.006 0.000 0.792 168 K HN 0.041 nan 8.250 nan 0.000 0.469 169 V N 0.370 120.281 119.914 -0.006 0.000 3.528 169 V HA 0.239 4.359 4.120 0.000 0.000 0.294 169 V C -0.147 175.943 176.094 -0.006 0.000 1.404 169 V CA 0.640 62.937 62.300 -0.006 0.000 1.065 169 V CB 0.189 32.008 31.823 -0.008 0.000 0.904 169 V HN 0.543 nan 8.190 nan 0.000 0.435 170 G N 0.779 109.576 108.800 -0.005 0.000 2.699 170 G HA2 -0.192 3.768 3.960 0.000 0.000 0.686 170 G HA3 -0.192 3.768 3.960 0.000 0.000 0.686 170 G C 0.083 174.980 174.900 -0.005 0.000 1.301 170 G CA 0.032 45.130 45.100 -0.004 0.000 0.816 170 G HN 0.314 nan 8.290 nan 0.000 0.595 171 K N 0.024 120.422 120.400 -0.003 0.000 2.283 171 K HA -0.048 4.272 4.320 0.000 0.000 0.202 171 K C 2.102 178.699 176.600 -0.004 0.000 1.048 171 K CA 1.698 57.983 56.287 -0.003 0.000 0.948 171 K CB 0.033 32.533 32.500 -0.000 0.000 0.742 171 K HN 0.411 nan 8.250 nan 0.000 0.458 172 E N 0.579 120.777 120.200 -0.003 0.000 2.112 172 E HA 0.008 4.358 4.350 0.000 0.000 0.190 172 E C 0.805 177.401 176.600 -0.006 0.000 0.979 172 E CA 0.365 56.763 56.400 -0.003 0.000 0.814 172 E CB -0.336 29.363 29.700 -0.001 0.000 0.762 172 E HN 0.309 nan 8.360 nan 0.000 0.460 173 G N 0.385 109.181 108.800 -0.007 0.000 2.562 173 G HA2 0.112 4.072 3.960 0.000 0.000 0.233 173 G HA3 0.112 4.072 3.960 0.000 0.000 0.233 173 G C -0.096 174.796 174.900 -0.014 0.000 1.266 173 G CA -0.334 44.761 45.100 -0.008 0.000 0.852 173 G HN 0.036 nan 8.290 nan 0.000 0.581 174 V N 2.092 121.998 119.914 -0.012 0.000 2.508 174 V HA 0.283 4.403 4.120 0.000 0.000 0.281 174 V C 0.472 176.552 176.094 -0.025 0.000 1.041 174 V CA 0.194 62.482 62.300 -0.020 0.000 1.016 174 V CB 0.444 32.260 31.823 -0.012 0.000 0.984 174 V HN 0.481 nan 8.190 nan 0.000 0.478 175 I N 4.844 125.392 120.570 -0.037 0.000 2.447 175 I HA 0.521 4.691 4.170 0.000 0.000 0.287 175 I C 0.281 176.370 176.117 -0.048 0.000 1.023 175 I CA -0.224 61.053 61.300 -0.038 0.000 1.083 175 I CB 2.162 40.138 38.000 -0.039 0.000 1.245 175 I HN 0.766 nan 8.210 nan 0.000 0.434 176 T N 2.429 116.960 114.554 -0.037 0.000 2.927 176 T HA 0.830 5.180 4.350 0.000 0.000 0.286 176 T C -0.538 174.145 174.700 -0.028 0.000 1.040 176 T CA -0.853 61.224 62.100 -0.038 0.000 1.010 176 T CB 2.170 71.020 68.868 -0.031 0.000 1.177 176 T HN 0.188 nan 8.240 nan 0.000 0.546 177 V N 0.935 120.834 119.914 -0.024 0.000 2.577 177 V HA 0.534 4.654 4.120 0.000 0.000 0.303 177 V C -0.318 175.770 176.094 -0.012 0.000 1.042 177 V CA -0.782 61.508 62.300 -0.016 0.000 0.872 177 V CB 1.453 33.268 31.823 -0.014 0.000 0.998 177 V HN 0.976 nan 8.190 nan 0.000 0.423 178 E N 1.503 121.697 120.200 -0.010 0.000 2.281 178 E HA 0.440 4.790 4.350 0.000 0.000 0.257 178 E C -1.348 175.248 176.600 -0.006 0.000 0.971 178 E CA -1.015 55.380 56.400 -0.008 0.000 0.839 178 E CB 1.499 31.193 29.700 -0.010 0.000 1.238 178 E HN 0.660 nan 8.360 nan 0.000 0.412 179 D N 0.642 121.039 120.400 -0.005 0.000 2.371 179 D HA 0.221 4.861 4.640 0.000 0.000 0.256 179 D C -0.022 176.275 176.300 -0.005 0.000 1.193 179 D CA 0.251 54.249 54.000 -0.004 0.000 0.881 179 D CB 0.949 41.747 40.800 -0.003 0.000 1.143 179 D HN 0.436 nan 8.370 nan 0.000 0.473 180 G N 0.625 109.423 108.800 -0.004 0.000 2.569 180 G HA2 0.321 4.281 3.960 0.000 0.000 0.249 180 G HA3 0.321 4.281 3.960 0.000 0.000 0.249 180 G C 0.925 175.822 174.900 -0.004 0.000 1.216 180 G CA -0.323 44.775 45.100 -0.005 0.000 0.845 180 G HN 0.507 nan 8.290 nan 0.000 0.568 181 T N -1.731 112.820 114.554 -0.005 0.000 2.971 181 T HA 0.387 4.737 4.350 0.000 0.000 0.252 181 T C 1.181 175.878 174.700 -0.004 0.000 1.022 181 T CA 0.623 62.720 62.100 -0.005 0.000 0.980 181 T CB 0.555 69.420 68.868 -0.005 0.000 1.044 181 T HN 0.767 nan 8.240 nan 0.000 0.501 182 G N 1.220 110.018 108.800 -0.004 0.000 3.008 182 G HA2 0.538 4.498 3.960 0.000 0.000 0.181 182 G HA3 0.538 4.498 3.960 0.000 0.000 0.181 182 G C 0.284 175.182 174.900 -0.003 0.000 1.309 182 G CA -0.348 44.750 45.100 -0.003 0.000 1.009 182 G HN 0.197 nan 8.290 nan 0.000 0.584 183 L N -0.845 120.376 121.223 -0.003 0.000 2.375 183 L HA 0.325 4.665 4.340 0.000 0.000 0.215 183 L C 0.825 177.694 176.870 -0.002 0.000 1.108 183 L CA 0.610 55.449 54.840 -0.002 0.000 0.830 183 L CB -0.351 41.707 42.059 -0.002 0.000 0.959 183 L HN 0.240 nan 8.230 nan 0.000 0.457 184 Q N 1.626 121.424 119.800 -0.003 0.000 2.288 184 Q HA 0.172 4.512 4.340 0.000 0.000 0.254 184 Q C -0.836 175.162 176.000 -0.003 0.000 0.932 184 Q CA -0.150 55.651 55.803 -0.003 0.000 0.902 184 Q CB 0.794 29.530 28.738 -0.003 0.000 1.203 184 Q HN 0.319 nan 8.270 nan 0.000 0.415 185 D N 2.341 122.739 120.400 -0.003 0.000 2.308 185 D HA 0.170 4.810 4.640 0.000 0.000 0.251 185 D C -0.174 176.123 176.300 -0.004 0.000 1.127 185 D CA 0.154 54.152 54.000 -0.004 0.000 0.876 185 D CB 1.170 41.968 40.800 -0.004 0.000 1.176 185 D HN 0.364 nan 8.370 nan 0.000 0.446 186 E N 0.666 120.863 120.200 -0.005 0.000 2.249 186 E HA 0.617 4.967 4.350 0.000 0.000 0.263 186 E C -0.640 175.956 176.600 -0.006 0.000 0.950 186 E CA -0.903 55.493 56.400 -0.006 0.000 0.827 186 E CB 2.431 32.128 29.700 -0.006 0.000 1.220 186 E HN 0.193 nan 8.360 nan 0.000 0.411 187 L N 2.326 123.545 121.223 -0.006 0.000 2.529 187 L HA 0.343 4.683 4.340 0.000 0.000 0.260 187 L C -1.624 175.242 176.870 -0.007 0.000 0.997 187 L CA -0.455 54.381 54.840 -0.007 0.000 0.885 187 L CB 0.661 42.716 42.059 -0.007 0.000 1.185 187 L HN 0.523 nan 8.230 nan 0.000 0.442 188 D N 3.414 123.809 120.400 -0.008 0.000 2.277 188 D HA 0.484 5.124 4.640 0.000 0.000 0.250 188 D C -0.333 175.963 176.300 -0.008 0.000 1.032 188 D CA -0.232 53.764 54.000 -0.008 0.000 0.947 188 D CB 2.843 43.638 40.800 -0.008 0.000 1.159 188 D HN 0.279 nan 8.370 nan 0.000 0.460 189 V N -1.209 118.701 119.914 -0.007 0.000 2.555 189 V HA 0.767 4.887 4.120 0.000 0.000 0.302 189 V C -0.164 175.926 176.094 -0.007 0.000 1.038 189 V CA -0.740 61.556 62.300 -0.007 0.000 0.887 189 V CB 1.666 33.485 31.823 -0.006 0.000 0.991 189 V HN 0.334 nan 8.190 nan 0.000 0.434 190 V N 1.969 121.880 119.914 -0.006 0.000 3.147 190 V HA 0.500 4.620 4.120 0.000 0.000 0.306 190 V C -0.622 175.469 176.094 -0.004 0.000 1.209 190 V CA -0.545 61.752 62.300 -0.006 0.000 1.023 190 V CB 2.497 34.315 31.823 -0.008 0.000 1.059 190 V HN 1.048 nan 8.190 nan 0.000 0.435 191 E N 3.387 123.585 120.200 -0.004 0.000 2.341 191 E HA 0.443 4.793 4.350 0.000 0.000 0.256 191 E C 0.198 176.799 176.600 0.003 0.000 1.125 191 E CA 0.614 57.013 56.400 -0.001 0.000 0.939 191 E CB 0.729 30.428 29.700 -0.003 0.000 0.991 191 E HN 0.936 nan 8.360 nan 0.000 0.458 192 G N 1.699 110.504 108.800 0.008 0.000 2.634 192 G HA2 0.674 4.634 3.960 0.000 0.000 0.309 192 G HA3 0.674 4.634 3.960 0.000 0.000 0.309 192 G C -1.124 173.794 174.900 0.030 0.000 1.299 192 G CA -0.613 44.497 45.100 0.018 0.000 0.798 192 G HN 0.378 nan 8.290 nan 0.000 0.490 193 M N -0.195 119.435 119.600 0.050 0.000 2.755 193 M HA 0.456 4.936 4.480 0.000 0.000 0.276 193 M C -2.394 173.979 176.300 0.121 0.000 1.129 193 M CA -0.592 54.757 55.300 0.081 0.000 0.832 193 M CB 2.415 35.071 32.600 0.093 0.000 1.700 193 M HN 0.763 nan 8.290 nan 0.000 0.518 194 Q N 3.267 123.151 119.800 0.141 0.000 2.309 194 Q HA 0.696 5.036 4.340 0.000 0.000 0.273 194 Q C -2.263 173.861 176.000 0.207 0.000 1.040 194 Q CA -0.583 55.287 55.803 0.112 0.000 0.834 194 Q CB 2.442 31.179 28.738 -0.002 0.000 1.345 194 Q HN 0.593 nan 8.270 nan 0.000 0.414 195 F N -0.242 119.702 119.950 -0.009 0.000 2.643 195 F HA 0.510 5.037 4.527 0.000 0.000 0.314 195 F C -0.658 175.138 175.800 -0.007 0.000 1.096 195 F CA -1.198 56.799 58.000 -0.005 0.000 0.953 195 F CB 1.114 40.112 39.000 -0.002 0.000 1.345 195 F HN 0.340 nan 8.300 nan 0.000 0.468 196 D N 2.670 123.151 120.400 0.134 0.000 2.934 196 D HA 0.145 4.785 4.640 0.000 0.000 0.237 196 D C -0.302 176.009 176.300 0.018 0.000 1.158 196 D CA 0.253 54.266 54.000 0.022 0.000 0.971 196 D CB -0.021 40.811 40.800 0.054 0.000 1.123 196 D HN 0.257 nan 8.370 nan 0.000 0.467 197 R N 0.162 120.608 120.500 -0.089 0.000 2.575 197 R HA 0.525 4.865 4.340 0.000 0.000 0.293 197 R C 0.296 176.495 176.300 -0.167 0.000 0.983 197 R CA -0.709 55.365 56.100 -0.044 0.000 0.887 197 R CB 2.284 32.671 30.300 0.145 0.000 1.184 197 R HN 0.119 nan 8.270 nan 0.000 0.445 198 G N 1.363 110.064 108.800 -0.164 0.000 2.491 198 G HA2 0.424 4.384 3.960 0.000 0.000 0.327 198 G HA3 0.424 4.384 3.960 0.000 0.000 0.327 198 G C -0.480 174.300 174.900 -0.200 0.000 1.189 198 G CA -0.561 44.354 45.100 -0.308 0.000 0.956 198 G HN 0.454 nan 8.290 nan 0.000 0.491 199 Y N -1.168 119.150 120.300 0.030 0.000 2.709 199 Y HA 0.159 4.709 4.550 0.000 0.000 0.348 199 Y C 1.159 177.150 175.900 0.151 0.000 1.267 199 Y CA -0.715 57.441 58.100 0.094 0.000 1.486 199 Y CB 0.305 38.883 38.460 0.198 0.000 1.356 199 Y HN 0.195 nan 8.280 nan 0.000 0.639 200 L N 1.202 122.723 121.223 0.497 0.000 2.567 200 L HA 0.163 4.503 4.340 0.000 0.000 0.225 200 L C 0.499 177.654 176.870 0.475 0.000 1.119 200 L CA 0.793 55.882 54.840 0.414 0.000 0.871 200 L CB -0.080 42.171 42.059 0.319 0.000 1.036 200 L HN 0.813 nan 8.230 nan 0.000 0.459 201 S N -1.125 114.925 115.700 0.584 0.000 2.563 201 S HA 0.329 4.799 4.470 0.000 0.000 0.279 201 S C -2.545 171.917 174.600 -0.230 0.000 1.155 201 S CA -0.874 57.406 58.200 0.132 0.000 0.928 201 S CB 1.727 64.886 63.200 -0.068 0.000 1.107 201 S HN -0.239 nan 8.310 nan 0.000 0.462 202 P HA 0.042 nan 4.420 nan 0.000 0.261 202 P C -0.125 176.744 177.300 -0.718 0.000 1.288 202 P CA 0.711 63.362 63.100 -0.749 0.000 0.751 202 P CB -0.404 30.999 31.700 -0.495 0.000 1.103 203 Y N -2.793 117.201 120.300 -0.509 0.000 2.524 203 Y HA 0.162 4.712 4.550 0.000 0.000 0.270 203 Y C 1.775 177.417 175.900 -0.431 0.000 1.094 203 Y CA 0.155 57.975 58.100 -0.467 0.000 1.276 203 Y CB -0.809 37.345 38.460 -0.509 0.000 1.130 203 Y HN -0.105 nan 8.280 nan 0.000 0.536 204 F N 0.324 120.254 119.950 -0.034 0.000 2.408 204 F HA -0.056 4.471 4.527 0.000 0.000 0.300 204 F C 0.866 176.621 175.800 -0.075 0.000 1.090 204 F CA 0.003 57.982 58.000 -0.035 0.000 1.427 204 F CB -1.114 37.879 39.000 -0.012 0.000 1.070 204 F HN -0.178 nan 8.300 nan 0.000 0.549 205 I N 2.999 123.545 120.570 -0.040 0.000 2.845 205 I HA -0.200 3.970 4.170 0.000 0.000 0.290 205 I C 0.860 176.975 176.117 -0.002 0.000 1.202 205 I CA 0.340 61.605 61.300 -0.058 0.000 1.406 205 I CB 0.072 37.975 38.000 -0.161 0.000 1.383 205 I HN 0.253 nan 8.210 nan 0.000 0.549 206 N N 5.520 124.234 118.700 0.024 0.000 2.322 206 N HA 0.013 4.753 4.740 0.000 0.000 0.181 206 N C -0.010 175.507 175.510 0.011 0.000 1.088 206 N CA 0.193 53.256 53.050 0.021 0.000 0.885 206 N CB 0.316 38.822 38.487 0.033 0.000 1.013 206 N HN 0.433 nan 8.380 nan 0.000 0.472 207 K N 1.314 121.721 120.400 0.012 0.000 2.562 207 K HA 0.268 4.588 4.320 0.000 0.000 0.206 207 K C -2.065 174.539 176.600 0.007 0.000 1.033 207 K CA -1.779 54.514 56.287 0.010 0.000 1.029 207 K CB 1.996 34.506 32.500 0.016 0.000 1.393 207 K HN 0.026 nan 8.250 nan 0.000 0.539 208 P HA -0.151 nan 4.420 nan 0.000 0.226 208 P C 0.391 177.691 177.300 0.000 0.000 1.146 208 P CA 1.011 64.106 63.100 -0.008 0.000 0.773 208 P CB 0.525 32.216 31.700 -0.016 0.000 0.772 209 E N 0.134 120.337 120.200 0.005 0.000 2.017 209 E HA -0.107 4.243 4.350 0.000 0.000 0.193 209 E C 1.809 178.418 176.600 0.016 0.000 0.997 209 E CA 1.927 58.332 56.400 0.008 0.000 0.804 209 E CB -1.230 28.475 29.700 0.009 0.000 0.757 209 E HN 0.234 nan 8.360 nan 0.000 0.448 210 T N -0.909 113.660 114.554 0.025 0.000 3.148 210 T HA 0.183 4.533 4.350 0.000 0.000 0.253 210 T C 1.111 175.840 174.700 0.048 0.000 1.134 210 T CA 0.496 62.620 62.100 0.039 0.000 1.051 210 T CB 0.027 68.922 68.868 0.046 0.000 0.959 210 T HN 0.384 nan 8.240 nan 0.000 0.525 211 G N 1.481 110.303 108.800 0.037 0.000 2.323 211 G HA2 0.025 3.985 3.960 0.000 0.000 0.292 211 G HA3 0.025 3.985 3.960 0.000 0.000 0.292 211 G C 0.070 175.028 174.900 0.097 0.000 1.040 211 G CA 0.102 45.228 45.100 0.044 0.000 0.942 211 G HN 0.963 nan 8.290 nan 0.000 0.506 212 A N -1.603 121.266 122.820 0.081 0.000 2.530 212 A HA 0.929 5.249 4.320 0.000 0.000 0.288 212 A C -0.460 177.175 177.584 0.085 0.000 1.172 212 A CA -0.289 51.823 52.037 0.125 0.000 0.733 212 A CB 1.942 21.002 19.000 0.100 0.000 1.320 212 A HN 1.226 nan 8.150 nan 0.000 0.419 213 V N 0.902 120.883 119.914 0.110 0.000 2.459 213 V HA 0.552 4.672 4.120 0.000 0.000 0.295 213 V C -0.213 175.914 176.094 0.055 0.000 1.029 213 V CA -0.318 62.033 62.300 0.084 0.000 0.874 213 V CB 1.344 33.236 31.823 0.115 0.000 0.985 213 V HN 0.890 nan 8.190 nan 0.000 0.438 214 E N 4.694 124.917 120.200 0.039 0.000 2.216 214 E HA 0.649 4.999 4.350 0.000 0.000 0.260 214 E C -1.736 174.875 176.600 0.018 0.000 0.880 214 E CA -0.528 55.886 56.400 0.023 0.000 0.765 214 E CB 1.525 31.235 29.700 0.017 0.000 1.174 214 E HN 0.612 nan 8.360 nan 0.000 0.417 215 L N 3.240 124.469 121.223 0.010 0.000 2.354 215 L HA 0.532 4.872 4.340 0.000 0.000 0.269 215 L C -0.309 176.555 176.870 -0.009 0.000 1.005 215 L CA -0.886 53.957 54.840 0.006 0.000 0.819 215 L CB 2.034 44.097 42.059 0.008 0.000 1.311 215 L HN 0.462 nan 8.230 nan 0.000 0.423 216 E N 1.177 121.368 120.200 -0.015 0.000 2.176 216 E HA 0.261 4.611 4.350 0.000 0.000 0.267 216 E C -0.376 176.189 176.600 -0.058 0.000 0.893 216 E CA -0.524 55.858 56.400 -0.031 0.000 0.761 216 E CB 1.818 31.506 29.700 -0.021 0.000 1.133 216 E HN 0.621 nan 8.360 nan 0.000 0.409 217 S N 1.635 117.284 115.700 -0.085 0.000 3.614 217 S HA -0.117 4.353 4.470 0.000 0.000 0.360 217 S C -2.256 172.193 174.600 -0.252 0.000 1.023 217 S CA 0.314 58.423 58.200 -0.153 0.000 1.114 217 S CB -1.062 62.054 63.200 -0.141 0.000 0.907 217 S HN 0.433 nan 8.310 nan 0.000 0.470 218 P HA 0.521 nan 4.420 nan 0.000 0.282 218 P C -0.064 177.096 177.300 -0.233 0.000 1.259 218 P CA -0.630 62.374 63.100 -0.160 0.000 0.826 218 P CB 0.450 32.131 31.700 -0.032 0.000 1.064 219 F N 0.528 120.481 119.950 0.004 0.000 2.375 219 F HA 0.400 4.927 4.527 0.000 0.000 0.333 219 F C 0.928 176.730 175.800 0.003 0.000 1.104 219 F CA -0.259 57.743 58.000 0.003 0.000 1.149 219 F CB 0.459 39.460 39.000 0.002 0.000 1.190 219 F HN 0.034 nan 8.300 nan 0.000 0.533 220 I N 3.633 124.319 120.570 0.193 0.000 2.389 220 I HA 0.242 4.412 4.170 0.000 0.000 0.288 220 I C -1.032 175.140 176.117 0.092 0.000 0.999 220 I CA -0.786 60.580 61.300 0.110 0.000 1.129 220 I CB 1.651 39.695 38.000 0.073 0.000 1.288 220 I HN 0.334 nan 8.210 nan 0.000 0.444 221 L N 8.332 129.594 121.223 0.065 0.000 2.281 221 L HA 0.462 4.802 4.340 0.000 0.000 0.285 221 L C -1.001 175.884 176.870 0.025 0.000 1.074 221 L CA 0.180 55.043 54.840 0.038 0.000 0.817 221 L CB 0.482 42.556 42.059 0.025 0.000 1.168 221 L HN 0.472 nan 8.230 nan 0.000 0.434 222 L N 6.594 127.826 121.223 0.016 0.000 2.301 222 L HA 0.703 5.044 4.340 0.000 0.000 0.278 222 L C -0.242 176.627 176.870 -0.002 0.000 1.022 222 L CA -0.354 54.487 54.840 0.003 0.000 0.854 222 L CB 1.165 43.221 42.059 -0.005 0.000 1.226 222 L HN 0.798 nan 8.230 nan 0.000 0.429 223 A N 1.661 124.480 122.820 -0.000 0.000 2.319 223 A HA 0.460 4.780 4.320 0.000 0.000 0.310 223 A C -0.836 176.749 177.584 0.000 0.000 1.152 223 A CA -0.517 51.521 52.037 0.001 0.000 0.783 223 A CB 1.085 20.089 19.000 0.006 0.000 1.184 223 A HN 0.613 nan 8.150 nan 0.000 0.474 224 D N 2.416 122.815 120.400 -0.002 0.000 2.524 224 D HA 0.458 5.098 4.640 0.000 0.000 0.222 224 D C -0.153 176.151 176.300 0.007 0.000 1.142 224 D CA 0.236 54.236 54.000 -0.000 0.000 0.973 224 D CB -0.347 40.449 40.800 -0.006 0.000 1.025 224 D HN 0.648 nan 8.370 nan 0.000 0.519 225 K N 0.113 120.520 120.400 0.013 0.000 2.870 225 K HA 0.237 4.557 4.320 0.000 0.000 0.290 225 K C -1.340 175.273 176.600 0.022 0.000 1.070 225 K CA -1.140 55.157 56.287 0.017 0.000 0.843 225 K CB 0.536 33.044 32.500 0.013 0.000 1.475 225 K HN -0.123 nan 8.250 nan 0.000 0.359 226 K N 1.491 121.906 120.400 0.025 0.000 2.276 226 K HA 0.334 4.654 4.320 0.000 0.000 0.283 226 K C -0.527 176.090 176.600 0.028 0.000 1.044 226 K CA -0.287 56.018 56.287 0.029 0.000 0.944 226 K CB 0.574 33.092 32.500 0.030 0.000 1.012 226 K HN 0.361 nan 8.250 nan 0.000 0.472 227 I N 2.678 123.267 120.570 0.032 0.000 2.330 227 I HA 0.050 4.220 4.170 0.000 0.000 0.286 227 I C 0.502 176.641 176.117 0.036 0.000 1.025 227 I CA 0.021 61.340 61.300 0.031 0.000 1.197 227 I CB 1.556 39.574 38.000 0.031 0.000 1.358 227 I HN 0.672 nan 8.210 nan 0.000 0.467 228 S N 3.516 119.234 115.700 0.030 0.000 2.748 228 S HA 0.184 4.654 4.470 0.000 0.000 0.241 228 S C 0.745 175.362 174.600 0.028 0.000 1.064 228 S CA -0.104 58.114 58.200 0.031 0.000 0.892 228 S CB 0.251 63.467 63.200 0.026 0.000 0.810 228 S HN 0.589 nan 8.310 nan 0.000 0.555 229 N N 1.946 120.659 118.700 0.022 0.000 2.529 229 N HA 0.224 4.964 4.740 0.000 0.000 0.278 229 N C 0.333 175.854 175.510 0.020 0.000 1.146 229 N CA -0.047 53.014 53.050 0.019 0.000 0.980 229 N CB 1.366 39.861 38.487 0.014 0.000 1.124 229 N HN 0.145 nan 8.380 nan 0.000 0.458 230 I N 2.204 122.785 120.570 0.019 0.000 3.059 230 I HA -0.066 4.104 4.170 0.000 0.000 0.270 230 I C 1.784 177.909 176.117 0.012 0.000 1.238 230 I CA 0.453 61.764 61.300 0.019 0.000 1.478 230 I CB 0.138 38.150 38.000 0.020 0.000 1.097 230 I HN 0.437 nan 8.210 nan 0.000 0.455 231 R N 0.928 121.433 120.500 0.009 0.000 2.139 231 R HA -0.222 4.118 4.340 0.000 0.000 0.243 231 R C 1.752 178.054 176.300 0.004 0.000 1.145 231 R CA 1.911 58.014 56.100 0.005 0.000 0.976 231 R CB -0.201 30.102 30.300 0.005 0.000 0.866 231 R HN 0.549 nan 8.270 nan 0.000 0.449 232 E N -0.419 119.784 120.200 0.006 0.000 2.285 232 E HA -0.079 4.271 4.350 0.000 0.000 0.194 232 E C 1.760 178.361 176.600 0.001 0.000 0.997 232 E CA 0.608 57.010 56.400 0.004 0.000 0.845 232 E CB 0.094 29.797 29.700 0.006 0.000 0.782 232 E HN 0.223 nan 8.360 nan 0.000 0.491 233 M N 0.377 119.979 119.600 0.004 0.000 2.248 233 M HA 0.022 4.502 4.480 0.000 0.000 0.265 233 M C 2.311 178.608 176.300 -0.004 0.000 1.079 233 M CA 0.945 56.246 55.300 0.002 0.000 1.150 233 M CB -0.723 31.883 32.600 0.011 0.000 1.366 233 M HN 0.137 nan 8.290 nan 0.000 0.433 234 L N 0.719 121.940 121.223 -0.002 0.000 2.054 234 L HA -0.259 4.081 4.340 0.000 0.000 0.220 234 L C -0.303 176.559 176.870 -0.014 0.000 1.081 234 L CA 1.892 56.728 54.840 -0.006 0.000 0.780 234 L CB -2.565 39.492 42.059 -0.004 0.000 0.893 234 L HN 0.199 nan 8.230 nan 0.000 0.438 235 P HA -0.128 nan 4.420 nan 0.000 0.216 235 P C 1.778 179.055 177.300 -0.038 0.000 1.150 235 P CA 1.536 64.622 63.100 -0.024 0.000 0.837 235 P CB 0.042 31.729 31.700 -0.022 0.000 0.786 236 V N 0.194 120.085 119.914 -0.039 0.000 2.331 236 V HA -0.116 4.004 4.120 0.000 0.000 0.242 236 V C 2.820 178.877 176.094 -0.062 0.000 1.034 236 V CA 1.031 63.296 62.300 -0.059 0.000 1.027 236 V CB -1.375 30.418 31.823 -0.050 0.000 0.667 236 V HN -0.038 nan 8.190 nan 0.000 0.457 237 L N -0.057 121.145 121.223 -0.034 0.000 2.263 237 L HA -0.232 4.108 4.340 0.000 0.000 0.216 237 L C 2.424 179.279 176.870 -0.024 0.000 1.111 237 L CA 1.671 56.498 54.840 -0.021 0.000 0.773 237 L CB -0.271 41.786 42.059 -0.002 0.000 0.906 237 L HN 0.485 nan 8.230 nan 0.000 0.439 238 E N -1.292 118.888 120.200 -0.032 0.000 2.340 238 E HA 0.034 4.385 4.350 0.000 0.000 0.198 238 E C 2.167 178.740 176.600 -0.046 0.000 0.961 238 E CA 0.567 56.950 56.400 -0.029 0.000 0.905 238 E CB 0.100 29.788 29.700 -0.021 0.000 0.884 238 E HN 0.419 nan 8.360 nan 0.000 0.491 239 A N 0.901 123.679 122.820 -0.070 0.000 2.019 239 A HA -0.100 4.221 4.320 0.000 0.000 0.219 239 A C 2.292 179.788 177.584 -0.147 0.000 1.164 239 A CA 0.934 52.909 52.037 -0.102 0.000 0.644 239 A CB -0.257 18.670 19.000 -0.123 0.000 0.805 239 A HN 0.102 nan 8.150 nan 0.000 0.449 240 V N -0.700 119.127 119.914 -0.144 0.000 2.379 240 V HA -0.071 4.049 4.120 0.000 0.000 0.243 240 V C 2.924 179.007 176.094 -0.018 0.000 1.035 240 V CA 1.453 63.668 62.300 -0.142 0.000 1.035 240 V CB -0.787 30.973 31.823 -0.105 0.000 0.673 240 V HN 0.553 nan 8.190 nan 0.000 0.457 241 A N -0.832 121.984 122.820 -0.006 0.000 2.131 241 A HA -0.215 4.105 4.320 0.000 0.000 0.220 241 A C 2.255 179.848 177.584 0.016 0.000 1.158 241 A CA 1.689 53.736 52.037 0.016 0.000 0.665 241 A CB -0.361 18.645 19.000 0.010 0.000 0.795 241 A HN 0.484 nan 8.150 nan 0.000 0.460 242 K N -0.712 119.688 120.400 -0.001 0.000 2.044 242 K HA 0.104 4.424 4.320 0.000 0.000 0.204 242 K C 1.969 178.584 176.600 0.025 0.000 1.045 242 K CA 0.851 57.140 56.287 0.003 0.000 0.951 242 K CB -0.173 32.317 32.500 -0.016 0.000 0.738 242 K HN 0.379 nan 8.250 nan 0.000 0.443 243 A N 0.619 123.460 122.820 0.034 0.000 2.264 243 A HA 0.063 4.383 4.320 0.000 0.000 0.207 243 A C 1.186 178.857 177.584 0.145 0.000 1.196 243 A CA 1.057 53.159 52.037 0.109 0.000 0.778 243 A CB -0.827 18.281 19.000 0.179 0.000 0.779 243 A HN 0.527 nan 8.150 nan 0.000 0.483 244 G N -0.766 108.095 108.800 0.100 0.000 2.233 244 G HA2 -0.304 3.656 3.960 0.000 0.000 0.270 244 G HA3 -0.304 3.656 3.960 0.000 0.000 0.270 244 G C 0.195 175.156 174.900 0.101 0.000 1.011 244 G CA 1.087 46.237 45.100 0.083 0.000 0.762 244 G HN 0.641 nan 8.290 nan 0.000 0.511 245 K N 0.338 120.840 120.400 0.170 0.000 2.281 245 K HA 0.581 4.901 4.320 0.000 0.000 0.242 245 K C -2.139 174.558 176.600 0.163 0.000 0.971 245 K CA -2.028 54.352 56.287 0.154 0.000 0.834 245 K CB 2.227 34.827 32.500 0.167 0.000 1.181 245 K HN 0.025 nan 8.250 nan 0.000 0.435 246 P HA 0.191 nan 4.420 nan 0.000 0.275 246 P C -1.261 176.128 177.300 0.148 0.000 1.266 246 P CA -0.502 62.658 63.100 0.099 0.000 0.793 246 P CB 0.581 32.314 31.700 0.054 0.000 1.074 247 L N 0.212 121.501 121.223 0.110 0.000 2.493 247 L HA 0.549 4.889 4.340 0.000 0.000 0.265 247 L C -1.730 175.170 176.870 0.049 0.000 0.954 247 L CA -0.875 54.037 54.840 0.119 0.000 0.844 247 L CB 1.701 43.832 42.059 0.120 0.000 1.302 247 L HN 0.196 nan 8.230 nan 0.000 0.405 248 L N 5.611 126.863 121.223 0.049 0.000 2.307 248 L HA 0.686 5.026 4.340 0.000 0.000 0.284 248 L C -1.119 175.759 176.870 0.013 0.000 1.023 248 L CA -0.281 54.564 54.840 0.008 0.000 0.810 248 L CB 1.272 43.345 42.059 0.023 0.000 1.231 248 L HN 0.520 nan 8.230 nan 0.000 0.423 249 I N 7.009 127.565 120.570 -0.022 0.000 2.307 249 I HA 0.300 4.470 4.170 0.000 0.000 0.289 249 I C -0.270 175.856 176.117 0.014 0.000 1.021 249 I CA -0.222 61.075 61.300 -0.006 0.000 1.224 249 I CB 0.772 38.759 38.000 -0.022 0.000 1.376 249 I HN 0.555 nan 8.210 nan 0.000 0.470 250 I N 5.893 126.482 120.570 0.033 0.000 2.359 250 I HA 0.625 4.795 4.170 0.000 0.000 0.284 250 I C 0.352 176.482 176.117 0.022 0.000 1.018 250 I CA -0.211 61.115 61.300 0.044 0.000 1.173 250 I CB 1.309 39.336 38.000 0.046 0.000 1.326 250 I HN 0.667 nan 8.210 nan 0.000 0.462 251 A N 4.557 127.394 122.820 0.029 0.000 2.483 251 A HA 0.461 4.781 4.320 0.000 0.000 0.286 251 A C 0.787 178.390 177.584 0.031 0.000 1.207 251 A CA -0.540 51.511 52.037 0.023 0.000 0.764 251 A CB 1.395 20.409 19.000 0.025 0.000 1.341 251 A HN 0.700 nan 8.150 nan 0.000 0.428 252 E N -0.766 119.451 120.200 0.029 0.000 2.153 252 E HA -0.123 4.227 4.350 0.000 0.000 0.194 252 E C -0.361 176.268 176.600 0.048 0.000 0.988 252 E CA 1.539 57.962 56.400 0.038 0.000 0.811 252 E CB 0.161 29.882 29.700 0.034 0.000 0.746 252 E HN 0.581 nan 8.360 nan 0.000 0.466 253 D N -2.231 118.197 120.400 0.047 0.000 2.755 253 D HA 0.206 4.846 4.640 0.000 0.000 0.277 253 D C -1.914 174.419 176.300 0.054 0.000 1.261 253 D CA -0.504 53.529 54.000 0.054 0.000 0.759 253 D CB 1.972 42.803 40.800 0.053 0.000 1.279 253 D HN -0.156 nan 8.370 nan 0.000 0.420 254 V N 1.705 121.659 119.914 0.067 0.000 2.569 254 V HA 0.475 4.595 4.120 0.000 0.000 0.301 254 V C -0.419 175.724 176.094 0.082 0.000 1.044 254 V CA -0.633 61.710 62.300 0.072 0.000 0.874 254 V CB 1.762 33.633 31.823 0.080 0.000 1.002 254 V HN 0.414 nan 8.190 nan 0.000 0.424 255 E N 2.233 122.474 120.200 0.068 0.000 2.227 255 E HA 0.599 4.949 4.350 0.000 0.000 0.268 255 E C 1.084 177.719 176.600 0.059 0.000 0.907 255 E CA 0.006 56.443 56.400 0.062 0.000 0.786 255 E CB 2.223 31.952 29.700 0.047 0.000 1.191 255 E HN 0.805 nan 8.360 nan 0.000 0.411 256 G N 2.699 111.532 108.800 0.055 0.000 2.999 256 G HA2 -0.479 3.481 3.960 0.000 0.000 0.335 256 G HA3 -0.479 3.481 3.960 0.000 0.000 0.335 256 G C 1.224 176.150 174.900 0.043 0.000 1.346 256 G CA 1.299 46.426 45.100 0.045 0.000 1.351 256 G HN 0.662 nan 8.290 nan 0.000 0.902 257 E N 1.136 121.357 120.200 0.035 0.000 2.000 257 E HA -0.136 4.214 4.350 0.000 0.000 0.199 257 E C 3.126 179.749 176.600 0.039 0.000 1.011 257 E CA 1.994 58.412 56.400 0.030 0.000 0.836 257 E CB -0.765 28.949 29.700 0.024 0.000 0.778 257 E HN 0.679 nan 8.360 nan 0.000 0.462 258 A N 1.211 124.058 122.820 0.045 0.000 1.908 258 A HA -0.209 4.111 4.320 0.000 0.000 0.218 258 A C 2.284 179.916 177.584 0.080 0.000 1.181 258 A CA 1.728 53.797 52.037 0.054 0.000 0.627 258 A CB -0.781 18.250 19.000 0.051 0.000 0.818 258 A HN 0.347 nan 8.150 nan 0.000 0.445 259 L N -0.178 121.103 121.223 0.097 0.000 1.961 259 L HA -0.083 4.257 4.340 0.000 0.000 0.210 259 L C 2.683 179.624 176.870 0.119 0.000 1.072 259 L CA 2.527 57.456 54.840 0.148 0.000 0.749 259 L CB -0.869 41.279 42.059 0.148 0.000 0.889 259 L HN 0.323 nan 8.230 nan 0.000 0.432 260 A N -1.726 121.133 122.820 0.064 0.000 2.076 260 A HA -0.201 4.119 4.320 0.000 0.000 0.220 260 A C 2.159 179.744 177.584 0.002 0.000 1.160 260 A CA 2.215 54.261 52.037 0.015 0.000 0.653 260 A CB -1.186 17.816 19.000 0.004 0.000 0.801 260 A HN 0.625 nan 8.150 nan 0.000 0.455 261 T N 0.339 114.911 114.554 0.029 0.000 2.732 261 T HA -0.032 4.318 4.350 0.000 0.000 0.261 261 T C 1.824 176.549 174.700 0.041 0.000 1.040 261 T CA 1.350 63.465 62.100 0.024 0.000 1.145 261 T CB -0.388 68.498 68.868 0.031 0.000 0.866 261 T HN 0.384 nan 8.240 nan 0.000 0.427 262 L N 0.941 122.221 121.223 0.095 0.000 2.042 262 L HA -0.100 4.240 4.340 0.000 0.000 0.210 262 L C 2.728 179.692 176.870 0.156 0.000 1.076 262 L CA 0.858 55.794 54.840 0.159 0.000 0.749 262 L CB -0.921 41.290 42.059 0.254 0.000 0.893 262 L HN 0.116 nan 8.230 nan 0.000 0.432 263 V N -0.446 119.511 119.914 0.072 0.000 2.252 263 V HA -0.281 3.839 4.120 0.000 0.000 0.249 263 V C 2.397 178.390 176.094 -0.169 0.000 1.056 263 V CA 1.854 64.057 62.300 -0.161 0.000 1.022 263 V CB -0.375 31.292 31.823 -0.259 0.000 0.641 263 V HN 0.232 nan 8.190 nan 0.000 0.445 264 V N 0.189 120.026 119.914 -0.129 0.000 2.759 264 V HA -0.220 3.900 4.120 0.000 0.000 0.256 264 V C 1.956 178.011 176.094 -0.066 0.000 1.080 264 V CA 2.000 64.226 62.300 -0.123 0.000 1.101 264 V CB -0.982 30.783 31.823 -0.098 0.000 0.698 264 V HN 0.624 nan 8.190 nan 0.000 0.477 265 N N 0.007 118.695 118.700 -0.020 0.000 2.416 265 N HA -0.091 4.649 4.740 0.000 0.000 0.177 265 N C 1.837 177.361 175.510 0.024 0.000 1.036 265 N CA 1.360 54.415 53.050 0.009 0.000 0.901 265 N CB 0.169 38.675 38.487 0.031 0.000 0.976 265 N HN 0.639 nan 8.380 nan 0.000 0.444 266 T N -2.067 112.510 114.554 0.039 0.000 3.060 266 T HA 0.136 4.487 4.350 0.000 0.000 0.249 266 T C 1.628 176.332 174.700 0.007 0.000 1.079 266 T CA -0.038 62.096 62.100 0.056 0.000 1.013 266 T CB 0.189 69.147 68.868 0.151 0.000 0.975 266 T HN -0.094 nan 8.240 nan 0.000 0.518 267 M N 1.561 121.136 119.600 -0.043 0.000 2.160 267 M HA 0.319 4.799 4.480 0.000 0.000 0.264 267 M C 2.042 178.312 176.300 -0.051 0.000 1.073 267 M CA 1.320 56.575 55.300 -0.074 0.000 1.142 267 M CB -0.107 32.406 32.600 -0.144 0.000 1.358 267 M HN 0.072 nan 8.290 nan 0.000 0.422 268 R N -0.284 120.191 120.500 -0.042 0.000 2.335 268 R HA 0.273 4.613 4.340 0.000 0.000 0.223 268 R C 0.773 177.065 176.300 -0.014 0.000 0.940 268 R CA 0.512 56.594 56.100 -0.030 0.000 1.086 268 R CB -0.517 29.765 30.300 -0.029 0.000 1.073 268 R HN 0.584 nan 8.270 nan 0.000 0.504 269 G N 1.711 110.508 108.800 -0.005 0.000 2.321 269 G HA2 -0.285 3.675 3.960 0.000 0.000 0.287 269 G HA3 -0.285 3.675 3.960 0.000 0.000 0.287 269 G C 0.736 175.643 174.900 0.012 0.000 1.018 269 G CA 0.362 45.466 45.100 0.008 0.000 0.855 269 G HN 0.392 nan 8.290 nan 0.000 0.507 270 I N -1.438 119.138 120.570 0.011 0.000 2.202 270 I HA -0.016 4.154 4.170 0.000 0.000 0.242 270 I C 0.831 176.961 176.117 0.022 0.000 1.091 270 I CA 1.275 62.582 61.300 0.012 0.000 1.368 270 I CB 0.005 38.009 38.000 0.008 0.000 1.058 270 I HN 0.112 nan 8.210 nan 0.000 0.410 271 V N 1.031 120.965 119.914 0.033 0.000 2.610 271 V HA 0.198 4.318 4.120 0.000 0.000 0.298 271 V C -0.627 175.503 176.094 0.059 0.000 1.067 271 V CA -1.112 61.214 62.300 0.043 0.000 0.894 271 V CB 1.635 33.483 31.823 0.041 0.000 1.015 271 V HN 0.063 nan 8.190 nan 0.000 0.432 272 K N 3.119 123.556 120.400 0.061 0.000 2.419 272 K HA 0.475 4.795 4.320 0.000 0.000 0.282 272 K C -0.559 176.088 176.600 0.079 0.000 1.056 272 K CA 0.389 56.720 56.287 0.074 0.000 1.035 272 K CB 0.596 33.132 32.500 0.061 0.000 0.921 272 K HN 0.497 nan 8.250 nan 0.000 0.472 273 V N 1.466 121.443 119.914 0.104 0.000 3.049 273 V HA 0.841 4.961 4.120 0.000 0.000 0.309 273 V C -1.016 175.070 176.094 -0.014 0.000 1.148 273 V CA -1.015 61.319 62.300 0.057 0.000 0.990 273 V CB 2.168 34.031 31.823 0.066 0.000 1.039 273 V HN 0.784 nan 8.190 nan 0.000 0.430 274 A N 2.051 124.721 122.820 -0.249 0.000 2.594 274 A HA 1.031 5.351 4.320 0.000 0.000 0.295 274 A C -0.910 176.329 177.584 -0.575 0.000 1.071 274 A CA -0.093 51.485 52.037 -0.766 0.000 0.685 274 A CB 1.995 20.744 19.000 -0.418 0.000 1.285 274 A HN 1.857 nan 8.150 nan 0.000 0.405 275 A N 0.341 122.711 122.820 -0.750 0.000 2.435 275 A HA 0.880 5.200 4.320 0.000 0.000 0.304 275 A C -0.664 176.846 177.584 -0.124 0.000 1.064 275 A CA -0.128 51.738 52.037 -0.285 0.000 0.727 275 A CB 1.514 20.414 19.000 -0.168 0.000 1.284 275 A HN 2.273 nan 8.150 nan 0.000 0.415 276 V N -0.910 119.000 119.914 -0.007 0.000 2.888 276 V HA 0.550 4.670 4.120 0.000 0.000 0.309 276 V C -0.449 175.708 176.094 0.105 0.000 1.114 276 V CA -1.296 61.042 62.300 0.064 0.000 0.940 276 V CB 1.431 33.304 31.823 0.084 0.000 1.021 276 V HN 0.868 nan 8.190 nan 0.000 0.426 277 K N 2.350 122.815 120.400 0.109 0.000 2.489 277 K HA 0.454 4.774 4.320 0.000 0.000 0.278 277 K C 0.687 177.372 176.600 0.143 0.000 1.000 277 K CA 0.560 56.911 56.287 0.107 0.000 1.012 277 K CB 0.863 33.421 32.500 0.097 0.000 0.903 277 K HN 1.119 nan 8.250 nan 0.000 0.485 278 A N 5.238 128.105 122.820 0.078 0.000 2.466 278 A HA 0.188 4.508 4.320 0.000 0.000 0.238 278 A C -1.974 175.624 177.584 0.022 0.000 1.074 278 A CA -1.004 51.038 52.037 0.007 0.000 0.774 278 A CB -0.347 18.631 19.000 -0.038 0.000 1.015 278 A HN 0.475 nan 8.150 nan 0.000 0.498 279 P HA 0.397 nan 4.420 nan 0.000 0.274 279 P C 0.770 178.090 177.300 0.032 0.000 1.237 279 P CA 1.251 64.356 63.100 0.008 0.000 0.793 279 P CB 0.437 32.031 31.700 -0.177 0.000 0.977 280 G N 1.213 110.076 108.800 0.105 0.000 2.633 280 G HA2 -0.110 3.850 3.960 0.000 0.000 0.263 280 G HA3 -0.110 3.850 3.960 0.000 0.000 0.263 280 G C -0.717 174.323 174.900 0.233 0.000 1.310 280 G CA 0.308 45.496 45.100 0.146 0.000 0.914 280 G HN 0.780 nan 8.290 nan 0.000 0.569 281 F N -2.404 117.561 119.950 0.025 0.000 2.662 281 F HA 0.745 5.272 4.527 0.000 0.000 0.312 281 F C 1.086 176.899 175.800 0.022 0.000 1.113 281 F CA 0.345 58.359 58.000 0.023 0.000 0.951 281 F CB 1.045 40.062 39.000 0.029 0.000 1.344 281 F HN 2.382 nan 8.300 nan 0.000 0.462 282 G N 1.590 110.430 108.800 0.067 0.000 2.634 282 G HA2 -0.346 3.614 3.960 0.000 0.000 0.318 282 G HA3 -0.346 3.614 3.960 0.000 0.000 0.318 282 G C 0.486 175.326 174.900 -0.100 0.000 1.207 282 G CA 0.868 45.945 45.100 -0.039 0.000 0.987 282 G HN 0.832 nan 8.290 nan 0.000 0.547 283 D N 1.245 121.549 120.400 -0.159 0.000 2.106 283 D HA -0.028 4.612 4.640 0.000 0.000 0.203 283 D C 2.523 178.753 176.300 -0.116 0.000 0.977 283 D CA 1.537 55.472 54.000 -0.109 0.000 0.844 283 D CB -0.311 40.433 40.800 -0.093 0.000 1.002 283 D HN 0.678 nan 8.370 nan 0.000 0.461 284 R N 1.261 121.662 120.500 -0.164 0.000 2.341 284 R HA -0.010 4.330 4.340 0.000 0.000 0.213 284 R C 2.044 178.274 176.300 -0.116 0.000 1.082 284 R CA 0.703 56.722 56.100 -0.136 0.000 1.017 284 R CB -0.374 29.839 30.300 -0.145 0.000 0.860 284 R HN 0.072 nan 8.270 nan 0.000 0.473 285 R N 1.787 122.219 120.500 -0.113 0.000 2.062 285 R HA -0.060 4.280 4.340 0.000 0.000 0.229 285 R C 1.345 177.605 176.300 -0.066 0.000 1.128 285 R CA 1.571 57.629 56.100 -0.071 0.000 0.960 285 R CB -0.012 30.273 30.300 -0.026 0.000 0.855 285 R HN 0.241 nan 8.270 nan 0.000 0.432 286 K N 0.008 120.373 120.400 -0.057 0.000 2.148 286 K HA -0.019 4.301 4.320 0.000 0.000 0.204 286 K C 2.003 178.571 176.600 -0.054 0.000 1.050 286 K CA 1.274 57.533 56.287 -0.047 0.000 0.942 286 K CB -0.036 32.444 32.500 -0.035 0.000 0.724 286 K HN 0.232 nan 8.250 nan 0.000 0.446 287 A N 0.781 123.565 122.820 -0.060 0.000 1.929 287 A HA -0.081 4.239 4.320 0.000 0.000 0.216 287 A C 2.053 179.594 177.584 -0.071 0.000 1.176 287 A CA 1.131 53.132 52.037 -0.060 0.000 0.628 287 A CB -0.293 18.672 19.000 -0.060 0.000 0.816 287 A HN 0.158 nan 8.150 nan 0.000 0.444 288 M N -1.032 118.516 119.600 -0.087 0.000 2.200 288 M HA 0.004 4.484 4.480 0.000 0.000 0.265 288 M C 2.188 178.407 176.300 -0.134 0.000 1.066 288 M CA 1.056 56.290 55.300 -0.111 0.000 1.127 288 M CB -0.286 32.240 32.600 -0.124 0.000 1.379 288 M HN 0.490 nan 8.290 nan 0.000 0.420 289 L N 0.099 121.250 121.223 -0.121 0.000 2.046 289 L HA -0.273 4.067 4.340 0.000 0.000 0.208 289 L C 2.576 179.394 176.870 -0.087 0.000 1.077 289 L CA 1.420 56.189 54.840 -0.118 0.000 0.747 289 L CB -0.262 41.746 42.059 -0.084 0.000 0.896 289 L HN 0.288 nan 8.230 nan 0.000 0.432 290 Q N 0.294 120.054 119.800 -0.068 0.000 2.061 290 Q HA -0.258 4.082 4.340 0.000 0.000 0.204 290 Q C 1.693 177.662 176.000 -0.052 0.000 0.984 290 Q CA 2.250 58.023 55.803 -0.051 0.000 0.846 290 Q CB -0.322 28.391 28.738 -0.043 0.000 0.902 290 Q HN 0.469 nan 8.270 nan 0.000 0.421 291 D N -0.261 120.101 120.400 -0.064 0.000 2.116 291 D HA -0.185 4.455 4.640 0.000 0.000 0.193 291 D C 1.931 178.197 176.300 -0.056 0.000 0.998 291 D CA 1.549 55.514 54.000 -0.058 0.000 0.836 291 D CB -0.326 40.433 40.800 -0.068 0.000 0.951 291 D HN 0.378 nan 8.370 nan 0.000 0.449 292 I N 1.017 121.537 120.570 -0.082 0.000 2.226 292 I HA -0.278 3.892 4.170 0.000 0.000 0.245 292 I C 2.494 178.590 176.117 -0.035 0.000 1.100 292 I CA 1.033 62.292 61.300 -0.069 0.000 1.374 292 I CB -0.330 37.596 38.000 -0.122 0.000 1.057 292 I HN -0.059 nan 8.210 nan 0.000 0.413 293 A N 1.024 123.822 122.820 -0.036 0.000 1.851 293 A HA -0.250 4.070 4.320 0.000 0.000 0.216 293 A C 2.411 179.989 177.584 -0.011 0.000 1.195 293 A CA 2.824 54.851 52.037 -0.018 0.000 0.622 293 A CB -1.342 17.647 19.000 -0.019 0.000 0.831 293 A HN 0.420 nan 8.150 nan 0.000 0.444 294 T N 0.615 115.158 114.554 -0.017 0.000 2.653 294 T HA -0.209 4.141 4.350 0.000 0.000 0.268 294 T C 1.815 176.509 174.700 -0.009 0.000 1.035 294 T CA 1.462 63.554 62.100 -0.013 0.000 1.154 294 T CB -0.485 68.372 68.868 -0.017 0.000 0.862 294 T HN 0.301 nan 8.240 nan 0.000 0.441 295 L N 1.598 122.815 121.223 -0.010 0.000 2.079 295 L HA -0.100 4.240 4.340 0.000 0.000 0.210 295 L C 2.335 179.205 176.870 0.000 0.000 1.081 295 L CA 2.352 57.190 54.840 -0.005 0.000 0.752 295 L CB -1.104 40.953 42.059 -0.003 0.000 0.896 295 L HN 0.538 nan 8.230 nan 0.000 0.433 296 T N -4.469 110.087 114.554 0.003 0.000 3.054 296 T HA 0.267 4.617 4.350 0.000 0.000 0.255 296 T C 1.128 175.836 174.700 0.014 0.000 1.035 296 T CA 0.334 62.440 62.100 0.009 0.000 0.941 296 T CB 0.130 69.007 68.868 0.016 0.000 1.026 296 T HN 0.485 nan 8.240 nan 0.000 0.533 297 G N 0.578 109.385 108.800 0.011 0.000 2.333 297 G HA2 0.116 4.076 3.960 0.000 0.000 0.296 297 G HA3 0.116 4.076 3.960 0.000 0.000 0.296 297 G C 0.283 175.199 174.900 0.026 0.000 1.059 297 G CA -0.164 44.945 45.100 0.015 0.000 1.050 297 G HN 1.035 nan 8.290 nan 0.000 0.508 298 G N -1.358 107.455 108.800 0.021 0.000 2.932 298 G HA2 0.887 4.847 3.960 0.000 0.000 0.283 298 G HA3 0.887 4.847 3.960 0.000 0.000 0.283 298 G C -0.399 174.509 174.900 0.013 0.000 1.336 298 G CA 0.141 45.257 45.100 0.026 0.000 1.056 298 G HN 0.751 nan 8.290 nan 0.000 0.522 299 T N -0.059 114.502 114.554 0.011 0.000 2.841 299 T HA 0.472 4.822 4.350 0.000 0.000 0.283 299 T C -0.268 174.431 174.700 -0.001 0.000 1.000 299 T CA -0.373 61.728 62.100 0.003 0.000 0.977 299 T CB 1.847 70.716 68.868 0.002 0.000 0.979 299 T HN 0.376 nan 8.240 nan 0.000 0.446 300 V N 3.974 123.883 119.914 -0.007 0.000 2.427 300 V HA 0.267 4.387 4.120 0.000 0.000 0.268 300 V C 0.315 176.404 176.094 -0.008 0.000 1.046 300 V CA -0.576 61.718 62.300 -0.011 0.000 0.970 300 V CB -0.160 31.653 31.823 -0.017 0.000 1.001 300 V HN 0.768 nan 8.190 nan 0.000 0.476 301 I N 5.288 125.855 120.570 -0.006 0.000 2.329 301 I HA 0.230 4.400 4.170 0.000 0.000 0.295 301 I C 0.457 176.572 176.117 -0.004 0.000 1.109 301 I CA 0.449 61.747 61.300 -0.004 0.000 1.297 301 I CB 0.333 38.331 38.000 -0.003 0.000 1.433 301 I HN 0.666 nan 8.210 nan 0.000 0.509 302 S N 3.776 119.473 115.700 -0.005 0.000 2.454 302 S HA 0.340 4.810 4.470 0.000 0.000 0.306 302 S C 0.562 175.161 174.600 -0.002 0.000 1.100 302 S CA -0.925 57.273 58.200 -0.004 0.000 1.087 302 S CB 1.981 65.178 63.200 -0.006 0.000 1.019 302 S HN 0.585 nan 8.310 nan 0.000 0.480 303 E N 1.442 121.642 120.200 0.001 0.000 2.333 303 E HA -0.158 4.192 4.350 0.000 0.000 0.198 303 E C 0.923 177.524 176.600 0.001 0.000 1.007 303 E CA 0.933 57.334 56.400 0.002 0.000 0.845 303 E CB -0.020 29.682 29.700 0.004 0.000 0.766 303 E HN 0.771 nan 8.360 nan 0.000 0.507 304 E N -0.037 120.163 120.200 -0.000 0.000 2.427 304 E HA -0.059 4.291 4.350 0.000 0.000 0.196 304 E C 1.299 177.898 176.600 -0.002 0.000 1.028 304 E CA 0.549 56.949 56.400 -0.001 0.000 0.864 304 E CB 0.193 29.892 29.700 -0.002 0.000 0.813 304 E HN 0.323 nan 8.360 nan 0.000 0.514 305 I N -0.765 119.803 120.570 -0.003 0.000 4.082 305 I HA 0.272 4.442 4.170 0.000 0.000 0.337 305 I C 1.027 177.142 176.117 -0.002 0.000 1.352 305 I CA 0.006 61.304 61.300 -0.003 0.000 1.097 305 I CB 0.870 38.867 38.000 -0.004 0.000 1.048 305 I HN 0.118 nan 8.210 nan 0.000 0.393 306 G N 1.740 110.539 108.800 -0.002 0.000 2.130 306 G HA2 -0.235 3.725 3.960 0.000 0.000 0.216 306 G HA3 -0.235 3.725 3.960 0.000 0.000 0.216 306 G C 0.107 175.006 174.900 -0.002 0.000 0.999 306 G CA -0.332 44.767 45.100 -0.001 0.000 0.686 306 G HN 0.287 nan 8.290 nan 0.000 0.515 307 M N 0.534 120.133 119.600 -0.002 0.000 2.233 307 M HA 0.585 5.065 4.480 0.000 0.000 0.355 307 M C 0.345 176.644 176.300 -0.002 0.000 1.191 307 M CA -0.159 55.139 55.300 -0.003 0.000 1.101 307 M CB 1.118 33.715 32.600 -0.004 0.000 1.592 307 M HN 0.197 nan 8.290 nan 0.000 0.461 308 E N 1.649 121.847 120.200 -0.003 0.000 2.232 308 E HA 0.337 4.687 4.350 0.000 0.000 0.264 308 E C 0.216 176.814 176.600 -0.004 0.000 0.973 308 E CA -0.640 55.758 56.400 -0.002 0.000 0.849 308 E CB 1.896 31.594 29.700 -0.003 0.000 1.198 308 E HN 0.678 nan 8.360 nan 0.000 0.407 309 L N 1.237 122.458 121.223 -0.003 0.000 2.395 309 L HA -0.096 4.244 4.340 0.000 0.000 0.218 309 L C 1.555 178.419 176.870 -0.009 0.000 1.130 309 L CA 0.822 55.660 54.840 -0.005 0.000 0.826 309 L CB -0.102 41.956 42.059 -0.001 0.000 0.941 309 L HN 0.542 nan 8.230 nan 0.000 0.451 310 E N 0.349 120.544 120.200 -0.008 0.000 2.107 310 E HA -0.105 4.245 4.350 0.000 0.000 0.191 310 E C 0.710 177.302 176.600 -0.013 0.000 0.982 310 E CA 0.839 57.233 56.400 -0.010 0.000 0.809 310 E CB 0.108 29.803 29.700 -0.007 0.000 0.756 310 E HN 0.221 nan 8.360 nan 0.000 0.459 311 K N 0.697 121.090 120.400 -0.012 0.000 2.758 311 K HA 0.448 4.768 4.320 0.000 0.000 0.250 311 K C -0.989 175.601 176.600 -0.016 0.000 1.268 311 K CA -0.234 56.045 56.287 -0.013 0.000 1.228 311 K CB 0.868 33.362 32.500 -0.010 0.000 1.715 311 K HN -0.033 nan 8.250 nan 0.000 0.334 312 A N 1.244 124.052 122.820 -0.021 0.000 2.446 312 A HA 0.313 4.633 4.320 0.000 0.000 0.282 312 A C 0.017 177.577 177.584 -0.041 0.000 1.102 312 A CA -0.772 51.249 52.037 -0.026 0.000 0.737 312 A CB 0.671 19.657 19.000 -0.023 0.000 1.212 312 A HN 0.350 nan 8.150 nan 0.000 0.434 313 T N 0.073 114.601 114.554 -0.043 0.000 2.862 313 T HA 0.520 4.870 4.350 0.000 0.000 0.276 313 T C 1.384 176.031 174.700 -0.088 0.000 0.974 313 T CA -0.594 61.470 62.100 -0.061 0.000 0.966 313 T CB 0.363 69.203 68.868 -0.046 0.000 1.072 313 T HN 0.385 nan 8.240 nan 0.000 0.538 314 L N 0.235 121.379 121.223 -0.131 0.000 2.081 314 L HA -0.136 4.204 4.340 0.000 0.000 0.212 314 L C 3.053 179.862 176.870 -0.103 0.000 1.080 314 L CA 2.114 56.824 54.840 -0.216 0.000 0.754 314 L CB -0.629 41.274 42.059 -0.260 0.000 0.893 314 L HN 0.912 nan 8.230 nan 0.000 0.433 315 E N 0.123 120.298 120.200 -0.042 0.000 2.204 315 E HA -0.250 4.100 4.350 0.000 0.000 0.195 315 E C 1.338 177.947 176.600 0.015 0.000 0.990 315 E CA 1.316 57.720 56.400 0.006 0.000 0.821 315 E CB 0.041 29.742 29.700 0.003 0.000 0.750 315 E HN 0.524 nan 8.360 nan 0.000 0.477 316 D N 0.290 120.689 120.400 -0.002 0.000 2.183 316 D HA -0.069 4.571 4.640 0.000 0.000 0.203 316 D C 0.478 176.792 176.300 0.024 0.000 0.969 316 D CA 0.340 54.344 54.000 0.006 0.000 0.842 316 D CB 0.036 40.832 40.800 -0.006 0.000 0.957 316 D HN 0.151 nan 8.370 nan 0.000 0.484 317 L N 0.898 122.141 121.223 0.034 0.000 2.439 317 L HA 0.251 4.591 4.340 0.000 0.000 0.269 317 L C 1.411 178.359 176.870 0.129 0.000 1.179 317 L CA 0.157 55.044 54.840 0.080 0.000 0.828 317 L CB 0.753 42.865 42.059 0.089 0.000 1.106 317 L HN -0.143 nan 8.230 nan 0.000 0.467 318 G N 1.465 110.332 108.800 0.113 0.000 2.588 318 G HA2 0.492 4.452 3.960 0.000 0.000 0.281 318 G HA3 0.492 4.452 3.960 0.000 0.000 0.281 318 G C -0.965 173.999 174.900 0.108 0.000 1.236 318 G CA -0.215 44.939 45.100 0.090 0.000 0.969 318 G HN 0.556 nan 8.290 nan 0.000 0.504 319 Q N -1.787 118.035 119.800 0.035 0.000 2.479 319 Q HA 0.539 4.879 4.340 0.000 0.000 0.276 319 Q C -1.167 174.800 176.000 -0.054 0.000 0.989 319 Q CA -0.678 55.098 55.803 -0.045 0.000 0.864 319 Q CB 2.167 30.847 28.738 -0.098 0.000 1.444 319 Q HN 0.978 nan 8.270 nan 0.000 0.388 320 A N 1.680 124.449 122.820 -0.084 0.000 2.567 320 A HA 0.534 4.854 4.320 0.000 0.000 0.289 320 A C -0.758 176.777 177.584 -0.081 0.000 1.177 320 A CA -0.536 51.466 52.037 -0.060 0.000 0.694 320 A CB 1.565 20.548 19.000 -0.027 0.000 1.292 320 A HN 0.714 nan 8.150 nan 0.000 0.425 321 K N -0.854 119.512 120.400 -0.057 0.000 2.356 321 K HA 0.227 4.547 4.320 0.000 0.000 0.195 321 K C 0.264 176.836 176.600 -0.046 0.000 1.037 321 K CA 0.681 56.933 56.287 -0.057 0.000 1.014 321 K CB 0.292 32.767 32.500 -0.043 0.000 0.815 321 K HN 0.504 nan 8.250 nan 0.000 0.507 322 R N -0.210 120.269 120.500 -0.035 0.000 2.664 322 R HA 0.180 4.520 4.340 0.000 0.000 0.260 322 R C -1.941 174.349 176.300 -0.016 0.000 1.062 322 R CA -0.567 55.518 56.100 -0.025 0.000 0.902 322 R CB 1.939 32.227 30.300 -0.020 0.000 1.258 322 R HN -0.052 nan 8.270 nan 0.000 0.465 323 V N -0.386 119.522 119.914 -0.011 0.000 2.925 323 V HA 0.868 4.988 4.120 0.000 0.000 0.311 323 V C -1.381 174.709 176.094 -0.008 0.000 1.104 323 V CA -0.680 61.616 62.300 -0.007 0.000 0.954 323 V CB 2.372 34.197 31.823 0.003 0.000 1.022 323 V HN 0.404 nan 8.190 nan 0.000 0.427 324 V N 5.297 125.200 119.914 -0.018 0.000 2.524 324 V HA 0.545 4.665 4.120 0.000 0.000 0.297 324 V C -0.304 175.772 176.094 -0.030 0.000 1.035 324 V CA -0.294 61.998 62.300 -0.013 0.000 0.867 324 V CB 1.484 33.298 31.823 -0.016 0.000 1.004 324 V HN 1.031 nan 8.190 nan 0.000 0.426 325 I N 1.247 121.822 120.570 0.008 0.000 2.433 325 I HA 0.702 4.872 4.170 0.000 0.000 0.292 325 I C -0.446 175.722 176.117 0.085 0.000 1.001 325 I CA -0.428 60.876 61.300 0.005 0.000 1.119 325 I CB 1.966 39.977 38.000 0.017 0.000 1.289 325 I HN 0.391 nan 8.210 nan 0.000 0.438 326 N N 4.576 123.261 118.700 -0.024 0.000 2.538 326 N HA 0.197 4.937 4.740 0.000 0.000 0.292 326 N C 0.805 176.123 175.510 -0.320 0.000 1.262 326 N CA -0.605 52.423 53.050 -0.036 0.000 0.976 326 N CB 1.126 39.565 38.487 -0.080 0.000 1.161 326 N HN 0.688 nan 8.380 nan 0.000 0.598 327 K N 0.122 120.329 120.400 -0.322 0.000 2.127 327 K HA -0.210 4.110 4.320 0.000 0.000 0.208 327 K C -0.355 175.933 176.600 -0.520 0.000 1.047 327 K CA 2.334 58.264 56.287 -0.594 0.000 0.927 327 K CB 0.027 32.421 32.500 -0.177 0.000 0.716 327 K HN 0.616 nan 8.250 nan 0.000 0.450 328 D N -2.332 117.890 120.400 -0.298 0.000 2.530 328 D HA 0.089 4.730 4.640 0.000 0.000 0.253 328 D C -0.635 175.559 176.300 -0.176 0.000 1.338 328 D CA -0.382 53.495 54.000 -0.205 0.000 0.806 328 D CB 0.818 41.544 40.800 -0.124 0.000 1.160 328 D HN -0.145 nan 8.370 nan 0.000 0.514 329 T N 0.160 114.591 114.554 -0.206 0.000 2.881 329 T HA 0.594 4.944 4.350 0.000 0.000 0.290 329 T C -0.966 173.544 174.700 -0.316 0.000 1.000 329 T CA -0.303 61.659 62.100 -0.231 0.000 0.978 329 T CB 2.029 70.806 68.868 -0.152 0.000 0.997 329 T HN -0.132 nan 8.240 nan 0.000 0.443 330 T N 2.426 116.640 114.554 -0.566 0.000 2.823 330 T HA 0.671 5.021 4.350 0.000 0.000 0.279 330 T C -0.365 174.035 174.700 -0.500 0.000 0.998 330 T CA -0.546 61.188 62.100 -0.610 0.000 0.994 330 T CB 1.509 69.773 68.868 -1.007 0.000 0.960 330 T HN 0.622 nan 8.240 nan 0.000 0.448 331 T N 3.184 117.601 114.554 -0.227 0.000 2.937 331 T HA 0.639 4.989 4.350 0.000 0.000 0.297 331 T C -0.851 173.834 174.700 -0.025 0.000 0.991 331 T CA -0.676 61.362 62.100 -0.103 0.000 0.990 331 T CB 0.220 69.038 68.868 -0.083 0.000 0.991 331 T HN 0.467 nan 8.240 nan 0.000 0.440 332 I N 5.669 126.261 120.570 0.038 0.000 2.336 332 I HA 0.475 4.645 4.170 0.000 0.000 0.292 332 I C -0.241 175.891 176.117 0.025 0.000 0.991 332 I CA -0.916 60.412 61.300 0.048 0.000 1.227 332 I CB 1.441 39.497 38.000 0.093 0.000 1.366 332 I HN 0.579 nan 8.210 nan 0.000 0.466 333 I N 5.805 126.380 120.570 0.007 0.000 2.362 333 I HA 0.259 4.429 4.170 0.000 0.000 0.289 333 I C -0.635 175.478 176.117 -0.007 0.000 0.994 333 I CA -0.404 60.895 61.300 -0.002 0.000 1.158 333 I CB 1.355 39.349 38.000 -0.009 0.000 1.315 333 I HN 0.601 nan 8.210 nan 0.000 0.451 334 D N 4.937 125.333 120.400 -0.006 0.000 3.515 334 D HA -0.106 4.534 4.640 0.000 0.000 0.247 334 D C -0.004 176.288 176.300 -0.014 0.000 1.084 334 D CA 0.843 54.836 54.000 -0.011 0.000 1.030 334 D CB -0.329 40.461 40.800 -0.017 0.000 0.946 334 D HN 0.810 nan 8.370 nan 0.000 0.420 335 G N 0.724 109.519 108.800 -0.007 0.000 2.415 335 G HA2 0.419 4.379 3.960 0.000 0.000 0.269 335 G HA3 0.419 4.379 3.960 0.000 0.000 0.269 335 G C 1.416 176.309 174.900 -0.011 0.000 1.209 335 G CA -0.320 44.775 45.100 -0.008 0.000 0.835 335 G HN 0.372 nan 8.290 nan 0.000 0.534 336 V N 2.406 122.311 119.914 -0.014 0.000 2.913 336 V HA -0.018 4.102 4.120 0.000 0.000 0.260 336 V C 2.177 178.268 176.094 -0.004 0.000 1.098 336 V CA 1.037 63.329 62.300 -0.012 0.000 1.121 336 V CB -1.178 30.637 31.823 -0.014 0.000 0.714 336 V HN 0.815 nan 8.190 nan 0.000 0.487 337 G N 1.171 109.970 108.800 -0.001 0.000 2.178 337 G HA2 0.058 4.018 3.960 0.000 0.000 0.244 337 G HA3 0.058 4.018 3.960 0.000 0.000 0.244 337 G C -0.124 174.775 174.900 -0.002 0.000 1.213 337 G CA -0.148 44.952 45.100 0.000 0.000 0.912 337 G HN 0.576 nan 8.290 nan 0.000 0.474 338 E N 1.900 122.100 120.200 -0.001 0.000 2.301 338 E HA 0.109 4.459 4.350 0.000 0.000 0.275 338 E C 0.705 177.303 176.600 -0.003 0.000 1.030 338 E CA -0.328 56.071 56.400 -0.002 0.000 0.852 338 E CB 1.700 31.400 29.700 -0.001 0.000 1.060 338 E HN 0.663 nan 8.360 nan 0.000 0.401 339 E N 1.600 121.798 120.200 -0.004 0.000 2.333 339 E HA -0.218 4.132 4.350 0.000 0.000 0.198 339 E C 1.664 178.262 176.600 -0.005 0.000 1.007 339 E CA 0.672 57.069 56.400 -0.004 0.000 0.845 339 E CB -0.036 29.661 29.700 -0.005 0.000 0.766 339 E HN 0.603 nan 8.360 nan 0.000 0.507 340 A N 1.866 124.683 122.820 -0.004 0.000 1.849 340 A HA -0.220 4.100 4.320 0.000 0.000 0.217 340 A C 2.444 180.025 177.584 -0.005 0.000 1.202 340 A CA 2.022 54.056 52.037 -0.004 0.000 0.629 340 A CB -0.881 18.117 19.000 -0.003 0.000 0.834 340 A HN 0.327 nan 8.150 nan 0.000 0.447 341 A N -0.407 122.411 122.820 -0.005 0.000 1.898 341 A HA -0.040 4.280 4.320 0.000 0.000 0.216 341 A C 2.152 179.732 177.584 -0.008 0.000 1.181 341 A CA 1.559 53.593 52.037 -0.006 0.000 0.620 341 A CB -0.671 18.326 19.000 -0.005 0.000 0.819 341 A HN 0.531 nan 8.150 nan 0.000 0.442 342 I N -1.073 119.493 120.570 -0.007 0.000 2.202 342 I HA -0.249 3.921 4.170 0.000 0.000 0.242 342 I C 2.738 178.849 176.117 -0.009 0.000 1.091 342 I CA 1.515 62.810 61.300 -0.009 0.000 1.368 342 I CB -0.438 37.557 38.000 -0.007 0.000 1.058 342 I HN 0.270 nan 8.210 nan 0.000 0.410 343 Q N 1.489 121.285 119.800 -0.008 0.000 2.061 343 Q HA -0.155 4.185 4.340 0.000 0.000 0.204 343 Q C 2.228 178.222 176.000 -0.009 0.000 0.984 343 Q CA 2.227 58.025 55.803 -0.008 0.000 0.846 343 Q CB -1.102 27.632 28.738 -0.007 0.000 0.902 343 Q HN 0.515 nan 8.270 nan 0.000 0.421 344 G N -0.077 108.718 108.800 -0.009 0.000 2.469 344 G HA2 -0.342 3.618 3.960 0.000 0.000 0.219 344 G HA3 -0.342 3.618 3.960 0.000 0.000 0.219 344 G C 1.613 176.506 174.900 -0.011 0.000 1.150 344 G CA 1.088 46.182 45.100 -0.009 0.000 0.763 344 G HN 0.396 nan 8.290 nan 0.000 0.561 345 R N -0.165 120.327 120.500 -0.013 0.000 2.148 345 R HA 0.093 4.433 4.340 0.000 0.000 0.223 345 R C 2.432 178.722 176.300 -0.017 0.000 1.088 345 R CA 0.873 56.964 56.100 -0.016 0.000 0.985 345 R CB -0.358 29.931 30.300 -0.018 0.000 0.880 345 R HN 0.222 nan 8.270 nan 0.000 0.451 346 V N 0.532 120.437 119.914 -0.015 0.000 2.427 346 V HA -0.128 3.992 4.120 0.000 0.000 0.248 346 V C 2.249 178.334 176.094 -0.015 0.000 1.051 346 V CA 1.763 64.053 62.300 -0.016 0.000 1.048 346 V CB -0.529 31.286 31.823 -0.013 0.000 0.666 346 V HN 0.530 nan 8.190 nan 0.000 0.456 347 A N -0.930 121.882 122.820 -0.013 0.000 2.015 347 A HA -0.235 4.085 4.320 0.000 0.000 0.219 347 A C 2.169 179.745 177.584 -0.014 0.000 1.163 347 A CA 1.573 53.602 52.037 -0.012 0.000 0.646 347 A CB -0.337 18.657 19.000 -0.010 0.000 0.806 347 A HN 0.617 nan 8.150 nan 0.000 0.448 348 Q N -0.500 119.291 119.800 -0.015 0.000 2.046 348 Q HA -0.053 4.287 4.340 0.000 0.000 0.200 348 Q C 1.954 177.943 176.000 -0.019 0.000 0.975 348 Q CA 1.593 57.386 55.803 -0.016 0.000 0.836 348 Q CB -0.256 28.471 28.738 -0.017 0.000 0.896 348 Q HN 0.750 nan 8.270 nan 0.000 0.428 349 I N -0.062 120.495 120.570 -0.022 0.000 2.353 349 I HA -0.197 3.973 4.170 0.000 0.000 0.248 349 I C 2.380 178.483 176.117 -0.024 0.000 1.119 349 I CA 0.524 61.808 61.300 -0.026 0.000 1.417 349 I CB -0.161 37.821 38.000 -0.030 0.000 1.078 349 I HN 0.079 nan 8.210 nan 0.000 0.421 350 R N 1.078 121.566 120.500 -0.020 0.000 2.133 350 R HA -0.265 4.075 4.340 0.000 0.000 0.245 350 R C 2.337 178.627 176.300 -0.017 0.000 1.137 350 R CA 2.030 58.119 56.100 -0.018 0.000 0.947 350 R CB -0.326 29.965 30.300 -0.015 0.000 0.865 350 R HN 0.386 nan 8.270 nan 0.000 0.437 351 Q N -0.636 119.155 119.800 -0.016 0.000 2.167 351 Q HA -0.163 4.177 4.340 0.000 0.000 0.202 351 Q C 2.081 178.072 176.000 -0.015 0.000 0.970 351 Q CA 1.383 57.177 55.803 -0.014 0.000 0.855 351 Q CB 0.121 28.852 28.738 -0.013 0.000 0.911 351 Q HN 0.527 nan 8.270 nan 0.000 0.438 352 Q N 0.138 119.926 119.800 -0.019 0.000 2.234 352 Q HA -0.160 4.181 4.340 0.000 0.000 0.206 352 Q C 1.976 177.963 176.000 -0.022 0.000 0.980 352 Q CA 0.987 56.777 55.803 -0.021 0.000 0.869 352 Q CB -0.190 28.532 28.738 -0.026 0.000 0.912 352 Q HN 0.505 nan 8.270 nan 0.000 0.436 353 I N 1.030 121.587 120.570 -0.023 0.000 2.614 353 I HA -0.205 3.965 4.170 0.000 0.000 0.258 353 I C 1.911 178.019 176.117 -0.016 0.000 1.189 353 I CA 0.644 61.931 61.300 -0.022 0.000 1.462 353 I CB -0.234 37.752 38.000 -0.024 0.000 1.092 353 I HN 0.059 nan 8.210 nan 0.000 0.442 354 E N 1.496 121.688 120.200 -0.013 0.000 2.047 354 E HA -0.179 4.171 4.350 0.000 0.000 0.191 354 E C 1.757 178.352 176.600 -0.008 0.000 0.987 354 E CA 1.307 57.701 56.400 -0.010 0.000 0.799 354 E CB -0.341 29.354 29.700 -0.009 0.000 0.752 354 E HN 0.587 nan 8.360 nan 0.000 0.449 355 E N 0.731 120.926 120.200 -0.009 0.000 2.489 355 E HA 0.238 4.588 4.350 0.000 0.000 0.193 355 E C 0.114 176.711 176.600 -0.005 0.000 1.057 355 E CA 0.138 56.535 56.400 -0.006 0.000 0.866 355 E CB 0.339 30.034 29.700 -0.007 0.000 0.916 355 E HN 0.074 nan 8.360 nan 0.000 0.500 356 A N 1.666 124.482 122.820 -0.007 0.000 2.515 356 A HA 0.066 4.386 4.320 0.000 0.000 0.263 356 A C 1.372 178.958 177.584 0.003 0.000 1.096 356 A CA 0.181 52.216 52.037 -0.004 0.000 0.769 356 A CB -0.150 18.843 19.000 -0.012 0.000 1.040 356 A HN 0.279 nan 8.150 nan 0.000 0.505 357 T N -0.011 114.548 114.554 0.009 0.000 3.051 357 T HA 0.195 4.545 4.350 0.000 0.000 0.255 357 T C 0.920 175.632 174.700 0.020 0.000 1.085 357 T CA 0.760 62.867 62.100 0.012 0.000 1.109 357 T CB -0.065 68.810 68.868 0.011 0.000 0.921 357 T HN 0.722 nan 8.240 nan 0.000 0.488 358 S N -0.339 115.379 115.700 0.030 0.000 2.607 358 S HA 0.365 4.835 4.470 0.000 0.000 0.303 358 S C 0.285 174.915 174.600 0.050 0.000 1.086 358 S CA -0.704 57.524 58.200 0.047 0.000 0.995 358 S CB 1.651 64.893 63.200 0.071 0.000 1.084 358 S HN 0.098 nan 8.310 nan 0.000 0.507 359 D N 1.109 121.546 120.400 0.062 0.000 2.123 359 D HA -0.083 4.557 4.640 0.000 0.000 0.200 359 D C 1.359 177.698 176.300 0.066 0.000 0.976 359 D CA 1.217 55.249 54.000 0.053 0.000 0.831 359 D CB -0.222 40.610 40.800 0.053 0.000 0.974 359 D HN 0.730 nan 8.370 nan 0.000 0.469 360 Y N 2.251 122.551 120.300 0.000 0.000 2.151 360 Y HA -0.218 4.332 4.550 0.000 0.000 0.284 360 Y C 1.811 177.706 175.900 -0.008 0.000 1.166 360 Y CA 1.713 59.813 58.100 -0.000 0.000 1.163 360 Y CB -0.105 38.357 38.460 0.003 0.000 0.974 360 Y HN -0.066 nan 8.280 nan 0.000 0.511 361 D N -0.545 119.871 120.400 0.027 0.000 2.264 361 D HA -0.151 4.489 4.640 0.000 0.000 0.208 361 D C 2.126 178.369 176.300 -0.095 0.000 0.966 361 D CA 0.878 54.852 54.000 -0.045 0.000 0.864 361 D CB -0.111 40.704 40.800 0.025 0.000 0.933 361 D HN 0.411 nan 8.370 nan 0.000 0.499 362 R N 0.894 121.349 120.500 -0.075 0.000 2.056 362 R HA -0.106 4.234 4.340 0.000 0.000 0.227 362 R C 2.291 178.528 176.300 -0.105 0.000 1.149 362 R CA 1.090 57.149 56.100 -0.069 0.000 0.937 362 R CB 0.147 30.425 30.300 -0.037 0.000 0.835 362 R HN 0.070 nan 8.270 nan 0.000 0.430 363 E N 0.960 121.079 120.200 -0.136 0.000 2.070 363 E HA -0.245 4.105 4.350 0.000 0.000 0.197 363 E C 1.740 178.234 176.600 -0.177 0.000 1.004 363 E CA 1.099 57.412 56.400 -0.144 0.000 0.805 363 E CB -0.249 29.359 29.700 -0.153 0.000 0.744 363 E HN 0.209 nan 8.360 nan 0.000 0.451 364 K N 0.696 120.927 120.400 -0.282 0.000 2.211 364 K HA -0.035 4.285 4.320 0.000 0.000 0.204 364 K C 2.331 178.841 176.600 -0.151 0.000 1.047 364 K CA 0.663 56.795 56.287 -0.258 0.000 0.935 364 K CB -0.257 32.025 32.500 -0.364 0.000 0.728 364 K HN 0.268 nan 8.250 nan 0.000 0.452 365 L N -0.063 121.085 121.223 -0.125 0.000 2.202 365 L HA -0.036 4.304 4.340 0.000 0.000 0.205 365 L C 2.292 179.123 176.870 -0.065 0.000 1.083 365 L CA 0.606 55.396 54.840 -0.083 0.000 0.790 365 L CB -0.368 41.650 42.059 -0.069 0.000 0.942 365 L HN 0.073 nan 8.230 nan 0.000 0.452 366 Q N 0.200 119.961 119.800 -0.065 0.000 2.291 366 Q HA -0.193 4.147 4.340 0.000 0.000 0.206 366 Q C 1.907 177.881 176.000 -0.043 0.000 0.976 366 Q CA 1.159 56.933 55.803 -0.047 0.000 0.875 366 Q CB 0.073 28.785 28.738 -0.044 0.000 0.927 366 Q HN 0.492 nan 8.270 nan 0.000 0.450 367 E N -0.005 120.162 120.200 -0.055 0.000 2.158 367 E HA -0.078 4.272 4.350 0.000 0.000 0.191 367 E C 1.889 178.469 176.600 -0.034 0.000 0.982 367 E CA 0.394 56.769 56.400 -0.042 0.000 0.823 367 E CB 0.216 29.885 29.700 -0.053 0.000 0.766 367 E HN 0.233 nan 8.360 nan 0.000 0.468 368 R N 0.423 120.896 120.500 -0.045 0.000 2.093 368 R HA -0.078 4.262 4.340 0.000 0.000 0.224 368 R C 2.658 178.940 176.300 -0.031 0.000 1.101 368 R CA 1.231 57.307 56.100 -0.040 0.000 0.979 368 R CB -0.349 29.920 30.300 -0.051 0.000 0.877 368 R HN 0.171 nan 8.270 nan 0.000 0.441 369 V N -1.248 118.648 119.914 -0.030 0.000 2.307 369 V HA -0.101 4.019 4.120 0.000 0.000 0.245 369 V C 2.331 178.415 176.094 -0.017 0.000 1.045 369 V CA 1.792 64.078 62.300 -0.023 0.000 1.024 369 V CB -1.024 30.785 31.823 -0.023 0.000 0.651 369 V HN 0.205 nan 8.190 nan 0.000 0.449 370 A N 0.450 123.261 122.820 -0.016 0.000 1.908 370 A HA -0.217 4.103 4.320 0.000 0.000 0.218 370 A C 2.341 179.923 177.584 -0.003 0.000 1.181 370 A CA 2.352 54.383 52.037 -0.010 0.000 0.627 370 A CB -0.669 18.325 19.000 -0.010 0.000 0.818 370 A HN 0.633 nan 8.150 nan 0.000 0.445 371 K N -1.273 119.126 120.400 -0.001 0.000 2.026 371 K HA -0.089 4.231 4.320 0.000 0.000 0.208 371 K C 1.913 178.518 176.600 0.008 0.000 1.048 371 K CA 1.395 57.689 56.287 0.012 0.000 0.929 371 K CB -0.246 32.265 32.500 0.018 0.000 0.713 371 K HN 0.368 nan 8.250 nan 0.000 0.439 372 L N 0.174 121.395 121.223 -0.003 0.000 2.049 372 L HA 0.046 4.386 4.340 0.000 0.000 0.203 372 L C 1.972 178.840 176.870 -0.005 0.000 1.074 372 L CA 1.727 56.564 54.840 -0.006 0.000 0.749 372 L CB -0.589 41.461 42.059 -0.015 0.000 0.907 372 L HN 0.086 nan 8.230 nan 0.000 0.439 373 A N -1.285 121.531 122.820 -0.007 0.000 2.132 373 A HA 0.203 4.523 4.320 0.000 0.000 0.213 373 A C 2.144 179.725 177.584 -0.005 0.000 1.154 373 A CA 0.771 52.804 52.037 -0.007 0.000 0.753 373 A CB -0.992 18.002 19.000 -0.009 0.000 0.826 373 A HN 0.471 nan 8.150 nan 0.000 0.469 374 G N -0.437 108.361 108.800 -0.003 0.000 2.448 374 G HA2 0.356 4.316 3.960 0.000 0.000 0.218 374 G HA3 0.356 4.316 3.960 0.000 0.000 0.218 374 G C 1.119 176.018 174.900 -0.001 0.000 1.135 374 G CA 0.678 45.777 45.100 -0.002 0.000 0.784 374 G HN 1.526 nan 8.290 nan 0.000 0.543 375 G N -1.456 107.345 108.800 0.001 0.000 2.801 375 G HA2 -0.048 3.912 3.960 0.000 0.000 0.244 375 G HA3 -0.048 3.912 3.960 0.000 0.000 0.244 375 G C -0.524 174.376 174.900 0.001 0.000 1.385 375 G CA -0.178 44.923 45.100 0.002 0.000 0.894 375 G HN 0.964 nan 8.290 nan 0.000 0.562 376 V N 0.309 120.222 119.914 -0.001 0.000 2.656 376 V HA 0.739 4.859 4.120 0.000 0.000 0.307 376 V C 0.727 176.816 176.094 -0.008 0.000 1.051 376 V CA -0.120 62.178 62.300 -0.005 0.000 0.893 376 V CB 1.649 33.470 31.823 -0.004 0.000 0.999 376 V HN 1.988 nan 8.190 nan 0.000 0.426 377 A N 4.245 127.058 122.820 -0.011 0.000 2.269 377 A HA 0.700 5.020 4.320 0.000 0.000 0.302 377 A C -0.182 177.393 177.584 -0.015 0.000 1.266 377 A CA -0.354 51.676 52.037 -0.012 0.000 0.894 377 A CB 0.796 19.788 19.000 -0.013 0.000 1.147 377 A HN 1.367 nan 8.150 nan 0.000 0.537 378 V N 1.988 121.894 119.914 -0.013 0.000 2.539 378 V HA 0.741 4.861 4.120 0.000 0.000 0.292 378 V C -0.335 175.751 176.094 -0.013 0.000 1.045 378 V CA -0.620 61.671 62.300 -0.014 0.000 0.945 378 V CB 1.131 32.946 31.823 -0.013 0.000 0.993 378 V HN 0.611 nan 8.190 nan 0.000 0.464 379 I N 4.941 125.503 120.570 -0.014 0.000 2.464 379 I HA 0.390 4.561 4.170 0.000 0.000 0.277 379 I C 0.211 176.322 176.117 -0.010 0.000 1.040 379 I CA -0.551 60.742 61.300 -0.011 0.000 1.153 379 I CB 1.153 39.146 38.000 -0.012 0.000 1.274 379 I HN 0.649 nan 8.210 nan 0.000 0.469 380 K N 4.862 125.257 120.400 -0.009 0.000 2.416 380 K HA 0.276 4.596 4.320 0.000 0.000 0.283 380 K C -0.439 176.158 176.600 -0.006 0.000 1.037 380 K CA -0.253 56.029 56.287 -0.007 0.000 0.995 380 K CB 1.417 33.913 32.500 -0.007 0.000 0.938 380 K HN 0.282 nan 8.250 nan 0.000 0.475 381 V N 2.851 122.762 119.914 -0.005 0.000 2.407 381 V HA 0.270 4.390 4.120 0.000 0.000 0.278 381 V C 0.730 176.823 176.094 -0.003 0.000 1.037 381 V CA -0.578 61.720 62.300 -0.004 0.000 0.900 381 V CB 1.364 33.186 31.823 -0.002 0.000 0.983 381 V HN 0.918 nan 8.190 nan 0.000 0.459 382 G N 3.008 111.806 108.800 -0.003 0.000 2.410 382 G HA2 0.848 4.808 3.960 0.000 0.000 0.330 382 G HA3 0.848 4.808 3.960 0.000 0.000 0.330 382 G C -0.516 174.383 174.900 -0.002 0.000 1.142 382 G CA 0.146 45.245 45.100 -0.003 0.000 0.902 382 G HN 1.201 nan 8.290 nan 0.000 0.491 383 A N -0.466 122.353 122.820 -0.002 0.000 2.467 383 A HA 0.791 5.112 4.320 0.000 0.000 0.301 383 A C 0.667 178.250 177.584 -0.002 0.000 1.126 383 A CA 0.426 52.462 52.037 -0.002 0.000 0.632 383 A CB 0.349 19.348 19.000 -0.001 0.000 1.331 383 A HN 1.804 nan 8.150 nan 0.000 0.482 384 A N -0.959 121.860 122.820 -0.001 0.000 2.044 384 A HA 0.518 4.838 4.320 0.000 0.000 0.213 384 A C 1.120 178.703 177.584 -0.001 0.000 1.169 384 A CA 2.026 54.062 52.037 -0.001 0.000 0.724 384 A CB -0.250 18.749 19.000 -0.001 0.000 0.840 384 A HN 2.151 nan 8.150 nan 0.000 0.463 385 T N -2.559 111.994 114.554 -0.001 0.000 2.916 385 T HA 0.352 4.702 4.350 0.000 0.000 0.305 385 T C 0.489 175.189 174.700 -0.001 0.000 1.119 385 T CA 0.086 62.185 62.100 -0.001 0.000 1.008 385 T CB 1.635 70.503 68.868 -0.001 0.000 1.129 385 T HN 0.281 nan 8.240 nan 0.000 0.480 386 E N 1.789 121.989 120.200 -0.001 0.000 2.049 386 E HA -0.160 4.190 4.350 0.000 0.000 0.198 386 E C 1.889 178.488 176.600 -0.001 0.000 1.007 386 E CA 2.226 58.626 56.400 -0.001 0.000 0.809 386 E CB -0.231 29.468 29.700 -0.001 0.000 0.749 386 E HN 0.614 nan 8.360 nan 0.000 0.450 387 V N 1.031 120.945 119.914 -0.001 0.000 2.380 387 V HA -0.269 3.851 4.120 0.000 0.000 0.251 387 V C 2.373 178.467 176.094 -0.000 0.000 1.063 387 V CA 2.337 64.637 62.300 -0.000 0.000 1.055 387 V CB -0.670 31.153 31.823 -0.000 0.000 0.657 387 V HN 0.347 nan 8.190 nan 0.000 0.455 388 E N -0.791 119.409 120.200 -0.000 0.000 2.158 388 E HA -0.141 4.209 4.350 0.000 0.000 0.191 388 E C 2.139 178.739 176.600 -0.000 0.000 0.982 388 E CA 0.866 57.265 56.400 -0.001 0.000 0.823 388 E CB 0.012 29.711 29.700 -0.001 0.000 0.766 388 E HN 0.562 nan 8.360 nan 0.000 0.468 389 M N 0.385 119.984 119.600 -0.000 0.000 2.276 389 M HA -0.050 4.430 4.480 0.000 0.000 0.262 389 M C 1.954 178.254 176.300 0.000 0.000 1.098 389 M CA 1.202 56.502 55.300 -0.000 0.000 1.167 389 M CB -0.088 32.512 32.600 -0.001 0.000 1.337 389 M HN -0.149 nan 8.290 nan 0.000 0.446 390 K N 0.357 120.757 120.400 0.000 0.000 2.360 390 K HA -0.186 4.134 4.320 0.000 0.000 0.201 390 K C 1.880 178.481 176.600 0.003 0.000 1.046 390 K CA 0.997 57.285 56.287 0.001 0.000 0.940 390 K CB 0.020 32.521 32.500 0.001 0.000 0.748 390 K HN 0.380 nan 8.250 nan 0.000 0.465 391 E N 1.379 121.580 120.200 0.002 0.000 2.014 391 E HA -0.173 4.177 4.350 0.000 0.000 0.190 391 E C 1.781 178.383 176.600 0.003 0.000 0.980 391 E CA 1.174 57.575 56.400 0.003 0.000 0.807 391 E CB -0.023 29.677 29.700 0.001 0.000 0.770 391 E HN 0.106 nan 8.360 nan 0.000 0.451 392 K N 1.186 121.587 120.400 0.002 0.000 2.077 392 K HA -0.257 4.063 4.320 0.000 0.000 0.213 392 K C 2.345 178.947 176.600 0.004 0.000 1.051 392 K CA 2.179 58.467 56.287 0.002 0.000 0.929 392 K CB -0.209 32.291 32.500 0.001 0.000 0.715 392 K HN -0.019 nan 8.250 nan 0.000 0.451 393 K N 0.059 120.461 120.400 0.004 0.000 2.015 393 K HA -0.257 4.063 4.320 0.000 0.000 0.220 393 K C 1.986 178.592 176.600 0.009 0.000 1.055 393 K CA 1.951 58.241 56.287 0.004 0.000 0.951 393 K CB -0.406 32.096 32.500 0.003 0.000 0.725 393 K HN 0.280 nan 8.250 nan 0.000 0.449 394 A N 1.196 124.023 122.820 0.011 0.000 1.940 394 A HA -0.207 4.113 4.320 0.000 0.000 0.219 394 A C 2.199 179.795 177.584 0.021 0.000 1.176 394 A CA 1.813 53.861 52.037 0.017 0.000 0.631 394 A CB -0.601 18.408 19.000 0.014 0.000 0.814 394 A HN 0.451 nan 8.150 nan 0.000 0.446 395 R N -0.758 119.751 120.500 0.014 0.000 2.096 395 R HA -0.068 4.272 4.340 0.000 0.000 0.235 395 R C 2.020 178.331 176.300 0.018 0.000 1.127 395 R CA 1.444 57.552 56.100 0.014 0.000 0.968 395 R CB -0.337 29.968 30.300 0.008 0.000 0.861 395 R HN 0.369 nan 8.270 nan 0.000 0.440 396 V N 0.995 120.918 119.914 0.014 0.000 2.261 396 V HA -0.242 3.878 4.120 0.000 0.000 0.246 396 V C 1.922 178.027 176.094 0.019 0.000 1.047 396 V CA 1.916 64.224 62.300 0.012 0.000 1.015 396 V CB -0.404 31.421 31.823 0.004 0.000 0.642 396 V HN 0.401 nan 8.190 nan 0.000 0.446 397 E N -0.379 119.835 120.200 0.024 0.000 2.171 397 E HA -0.259 4.091 4.350 0.000 0.000 0.197 397 E C 1.929 178.589 176.600 0.102 0.000 0.997 397 E CA 1.436 57.860 56.400 0.040 0.000 0.810 397 E CB -0.135 29.593 29.700 0.047 0.000 0.738 397 E HN 0.625 nan 8.360 nan 0.000 0.467 398 D N 0.013 120.464 120.400 0.085 0.000 2.084 398 D HA -0.109 4.531 4.640 0.000 0.000 0.196 398 D C 1.941 178.298 176.300 0.095 0.000 0.985 398 D CA 1.300 55.356 54.000 0.093 0.000 0.826 398 D CB -0.175 40.651 40.800 0.043 0.000 0.978 398 D HN 0.147 nan 8.370 nan 0.000 0.456 399 A N 1.074 123.928 122.820 0.056 0.000 1.902 399 A HA -0.131 4.189 4.320 0.000 0.000 0.217 399 A C 2.330 179.943 177.584 0.048 0.000 1.181 399 A CA 0.949 53.013 52.037 0.044 0.000 0.623 399 A CB -0.916 18.099 19.000 0.024 0.000 0.818 399 A HN 0.249 nan 8.150 nan 0.000 0.443 400 L N -1.189 120.053 121.223 0.032 0.000 1.990 400 L HA -0.285 4.055 4.340 0.000 0.000 0.213 400 L C 2.635 179.507 176.870 0.004 0.000 1.072 400 L CA 2.266 57.104 54.840 -0.004 0.000 0.755 400 L CB -0.467 41.564 42.059 -0.046 0.000 0.889 400 L HN 0.519 nan 8.230 nan 0.000 0.432 401 H N -0.355 118.715 119.070 -0.001 0.000 2.265 401 H HA -0.192 4.364 4.556 0.000 0.000 0.295 401 H C 2.119 177.449 175.328 0.002 0.000 1.084 401 H CA 1.902 57.950 56.048 -0.000 0.000 1.261 401 H CB -0.360 29.402 29.762 -0.001 0.000 1.360 401 H HN 0.550 nan 8.280 nan 0.000 0.487 402 A N -0.281 122.637 122.820 0.163 0.000 2.015 402 A HA -0.124 4.196 4.320 0.000 0.000 0.219 402 A C 2.645 180.264 177.584 0.059 0.000 1.163 402 A CA 1.820 53.908 52.037 0.085 0.000 0.646 402 A CB -0.648 18.382 19.000 0.050 0.000 0.806 402 A HN 0.446 nan 8.150 nan 0.000 0.448 403 T N -0.548 114.036 114.554 0.050 0.000 2.701 403 T HA -0.110 4.240 4.350 0.000 0.000 0.263 403 T C 2.054 176.770 174.700 0.027 0.000 1.040 403 T CA 1.376 63.494 62.100 0.029 0.000 1.147 403 T CB -0.222 68.656 68.868 0.017 0.000 0.865 403 T HN 0.499 nan 8.240 nan 0.000 0.426 404 R N 0.792 121.307 120.500 0.026 0.000 2.154 404 R HA -0.088 4.252 4.340 0.000 0.000 0.248 404 R C 2.448 178.769 176.300 0.034 0.000 1.155 404 R CA 1.418 57.530 56.100 0.020 0.000 0.979 404 R CB -0.315 29.991 30.300 0.009 0.000 0.869 404 R HN 0.353 nan 8.270 nan 0.000 0.452 405 A N -0.171 122.679 122.820 0.051 0.000 2.123 405 A HA 0.166 4.486 4.320 0.000 0.000 0.214 405 A C 2.013 179.617 177.584 0.034 0.000 1.152 405 A CA 0.963 53.029 52.037 0.048 0.000 0.728 405 A CB -0.021 19.015 19.000 0.061 0.000 0.814 405 A HN 0.374 nan 8.150 nan 0.000 0.464 406 A N -0.417 122.420 122.820 0.029 0.000 1.878 406 A HA 0.130 4.450 4.320 0.000 0.000 0.213 406 A C 2.012 179.607 177.584 0.018 0.000 1.192 406 A CA 1.248 53.298 52.037 0.022 0.000 0.619 406 A CB -0.876 18.136 19.000 0.020 0.000 0.837 406 A HN 0.343 nan 8.150 nan 0.000 0.446 407 V N 0.615 120.539 119.914 0.017 0.000 2.428 407 V HA -0.347 3.773 4.120 0.000 0.000 0.255 407 V C 2.339 178.442 176.094 0.014 0.000 1.080 407 V CA 2.531 64.839 62.300 0.013 0.000 1.083 407 V CB -0.885 30.944 31.823 0.011 0.000 0.665 407 V HN 0.634 nan 8.190 nan 0.000 0.461 408 E N -0.694 119.517 120.200 0.018 0.000 2.060 408 E HA -0.056 4.295 4.350 0.000 0.000 0.189 408 E C 1.532 178.142 176.600 0.016 0.000 0.974 408 E CA 0.946 57.357 56.400 0.017 0.000 0.808 408 E CB 0.113 29.826 29.700 0.022 0.000 0.768 408 E HN 0.651 nan 8.360 nan 0.000 0.453 409 E N -0.537 119.673 120.200 0.017 0.000 2.846 409 E HA 0.227 4.577 4.350 0.000 0.000 0.211 409 E C 0.004 176.613 176.600 0.015 0.000 0.975 409 E CA 0.060 56.469 56.400 0.015 0.000 1.211 409 E CB 1.667 31.377 29.700 0.016 0.000 1.052 409 E HN 0.246 nan 8.360 nan 0.000 0.487 410 G N 1.163 109.973 108.800 0.015 0.000 2.681 410 G HA2 -0.216 3.744 3.960 0.000 0.000 0.220 410 G HA3 -0.216 3.744 3.960 0.000 0.000 0.220 410 G C -0.303 174.607 174.900 0.016 0.000 1.353 410 G CA -0.428 44.681 45.100 0.015 0.000 0.872 410 G HN 0.521 nan 8.290 nan 0.000 0.557 411 V N -2.514 117.409 119.914 0.016 0.000 3.001 411 V HA 0.996 5.116 4.120 0.000 0.000 0.314 411 V C 0.498 176.602 176.094 0.017 0.000 1.099 411 V CA 0.225 62.535 62.300 0.016 0.000 0.989 411 V CB 1.460 33.292 31.823 0.015 0.000 1.040 411 V HN 2.518 nan 8.190 nan 0.000 0.434 412 V N -0.708 119.216 119.914 0.017 0.000 3.181 412 V HA 0.976 5.096 4.120 0.000 0.000 0.308 412 V C 0.471 176.576 176.094 0.018 0.000 1.214 412 V CA -0.827 61.484 62.300 0.019 0.000 1.053 412 V CB 1.194 33.029 31.823 0.021 0.000 1.069 412 V HN 2.352 nan 8.190 nan 0.000 0.441 413 A N 0.959 123.792 122.820 0.022 0.000 2.558 413 A HA 0.366 4.686 4.320 0.000 0.000 0.262 413 A C 1.539 179.129 177.584 0.009 0.000 1.049 413 A CA 0.764 52.811 52.037 0.017 0.000 0.804 413 A CB -0.659 18.358 19.000 0.027 0.000 0.957 413 A HN 2.134 nan 8.150 nan 0.000 0.520 414 G N 2.357 111.156 108.800 -0.000 0.000 2.598 414 G HA2 0.147 4.107 3.960 0.000 0.000 0.215 414 G HA3 0.147 4.107 3.960 0.000 0.000 0.215 414 G C 1.005 175.902 174.900 -0.006 0.000 1.131 414 G CA 0.779 45.877 45.100 -0.004 0.000 0.785 414 G HN 1.181 nan 8.290 nan 0.000 0.539 415 G N -0.326 108.470 108.800 -0.006 0.000 3.327 415 G HA2 0.391 4.351 3.960 0.000 0.000 0.240 415 G HA3 0.391 4.351 3.960 0.000 0.000 0.240 415 G C 1.232 176.141 174.900 0.015 0.000 1.222 415 G CA 0.307 45.406 45.100 -0.002 0.000 0.871 415 G HN 1.145 nan 8.290 nan 0.000 0.525 416 G N -0.745 108.064 108.800 0.013 0.000 2.166 416 G HA2 -0.362 3.598 3.960 0.000 0.000 0.260 416 G HA3 -0.362 3.598 3.960 0.000 0.000 0.260 416 G C 1.249 176.163 174.900 0.023 0.000 0.986 416 G CA 0.664 45.775 45.100 0.018 0.000 0.683 416 G HN 0.550 nan 8.290 nan 0.000 0.527 417 V N 0.635 120.562 119.914 0.023 0.000 2.237 417 V HA -0.039 4.081 4.120 0.000 0.000 0.245 417 V C 3.299 179.413 176.094 0.033 0.000 1.046 417 V CA 2.908 65.225 62.300 0.028 0.000 1.007 417 V CB -1.538 30.297 31.823 0.021 0.000 0.638 417 V HN 1.078 nan 8.190 nan 0.000 0.445 418 A N 0.369 123.206 122.820 0.029 0.000 1.894 418 A HA -0.276 4.044 4.320 0.000 0.000 0.220 418 A C 2.236 179.836 177.584 0.028 0.000 1.237 418 A CA 2.463 54.517 52.037 0.029 0.000 0.660 418 A CB -0.891 18.123 19.000 0.024 0.000 0.835 418 A HN 0.391 nan 8.150 nan 0.000 0.461 419 L N -0.410 120.828 121.223 0.024 0.000 2.013 419 L HA -0.177 4.163 4.340 0.000 0.000 0.212 419 L C 2.531 179.415 176.870 0.024 0.000 1.073 419 L CA 1.649 56.502 54.840 0.022 0.000 0.753 419 L CB -1.093 40.978 42.059 0.020 0.000 0.890 419 L HN 0.405 nan 8.230 nan 0.000 0.432 420 I N -0.752 119.835 120.570 0.028 0.000 2.286 420 I HA -0.314 3.856 4.170 0.000 0.000 0.248 420 I C 2.686 178.824 176.117 0.035 0.000 1.115 420 I CA 1.012 62.330 61.300 0.031 0.000 1.392 420 I CB -0.511 37.511 38.000 0.036 0.000 1.065 420 I HN 0.327 nan 8.210 nan 0.000 0.418 421 R N 1.225 121.749 120.500 0.040 0.000 2.070 421 R HA -0.162 4.178 4.340 0.000 0.000 0.232 421 R C 2.373 178.693 176.300 0.034 0.000 1.138 421 R CA 2.373 58.499 56.100 0.045 0.000 0.936 421 R CB -0.688 29.642 30.300 0.050 0.000 0.839 421 R HN 0.314 nan 8.270 nan 0.000 0.429 422 V N -1.126 118.804 119.914 0.028 0.000 2.407 422 V HA -0.094 4.026 4.120 0.000 0.000 0.248 422 V C 2.160 178.265 176.094 0.019 0.000 1.055 422 V CA 1.867 64.180 62.300 0.022 0.000 1.049 422 V CB -1.245 30.589 31.823 0.018 0.000 0.662 422 V HN 0.398 nan 8.190 nan 0.000 0.455 423 A N 1.454 124.286 122.820 0.020 0.000 1.933 423 A HA -0.152 4.168 4.320 0.000 0.000 0.218 423 A C 2.604 180.198 177.584 0.017 0.000 1.175 423 A CA 2.537 54.584 52.037 0.017 0.000 0.628 423 A CB -0.984 18.026 19.000 0.017 0.000 0.814 423 A HN 1.013 nan 8.150 nan 0.000 0.444 424 S N -0.408 115.305 115.700 0.021 0.000 2.436 424 S HA -0.075 4.395 4.470 0.000 0.000 0.228 424 S C 1.807 176.418 174.600 0.019 0.000 1.014 424 S CA 1.105 59.318 58.200 0.021 0.000 0.950 424 S CB -0.257 62.960 63.200 0.028 0.000 0.784 424 S HN 0.589 nan 8.310 nan 0.000 0.504 425 K N 1.115 121.526 120.400 0.019 0.000 2.001 425 K HA 0.008 4.328 4.320 0.000 0.000 0.208 425 K C 0.755 177.363 176.600 0.012 0.000 1.048 425 K CA 1.351 57.647 56.287 0.016 0.000 0.932 425 K CB -0.547 31.963 32.500 0.017 0.000 0.715 425 K HN 0.490 nan 8.250 nan 0.000 0.437 426 L N -0.898 120.331 121.223 0.011 0.000 3.035 426 L HA 0.367 4.707 4.340 0.000 0.000 0.232 426 L C 1.035 177.910 176.870 0.008 0.000 1.341 426 L CA -0.128 54.717 54.840 0.009 0.000 1.177 426 L CB 0.355 42.419 42.059 0.007 0.000 1.555 426 L HN -0.108 nan 8.230 nan 0.000 0.473 427 A N -1.100 121.725 122.820 0.008 0.000 2.206 427 A HA -0.034 4.286 4.320 0.000 0.000 0.211 427 A C 1.669 179.256 177.584 0.006 0.000 1.158 427 A CA 0.867 52.908 52.037 0.007 0.000 0.761 427 A CB -0.195 18.809 19.000 0.008 0.000 0.801 427 A HN 0.467 nan 8.150 nan 0.000 0.473 428 D N -0.982 119.421 120.400 0.005 0.000 2.327 428 D HA 0.067 4.707 4.640 0.000 0.000 0.205 428 D C 0.572 176.875 176.300 0.004 0.000 0.989 428 D CA -0.109 53.893 54.000 0.004 0.000 0.873 428 D CB -0.222 40.580 40.800 0.004 0.000 0.955 428 D HN 0.329 nan 8.370 nan 0.000 0.515 429 L N 2.179 123.405 121.223 0.004 0.000 2.706 429 L HA -0.094 4.246 4.340 0.000 0.000 0.282 429 L C 0.259 177.131 176.870 0.003 0.000 1.219 429 L CA 0.761 55.603 54.840 0.003 0.000 0.935 429 L CB 0.053 42.114 42.059 0.004 0.000 1.204 429 L HN -0.202 nan 8.230 nan 0.000 0.491 430 R N 3.173 123.675 120.500 0.002 0.000 2.923 430 R HA 0.815 5.155 4.340 0.000 0.000 0.252 430 R C 0.109 176.410 176.300 0.002 0.000 1.130 430 R CA -0.283 55.818 56.100 0.002 0.000 1.043 430 R CB 1.363 31.664 30.300 0.002 0.000 1.205 430 R HN 0.796 nan 8.270 nan 0.000 0.495 431 G N -0.273 108.528 108.800 0.002 0.000 3.257 431 G HA2 0.339 4.299 3.960 0.000 0.000 0.205 431 G HA3 0.339 4.299 3.960 0.000 0.000 0.205 431 G C -0.336 174.565 174.900 0.001 0.000 1.234 431 G CA -0.115 44.986 45.100 0.002 0.000 0.918 431 G HN 0.328 nan 8.290 nan 0.000 0.602 432 Q N -0.406 119.395 119.800 0.001 0.000 2.389 432 Q HA 0.178 4.518 4.340 0.000 0.000 0.201 432 Q C 1.140 177.141 176.000 0.001 0.000 0.956 432 Q CA 0.034 55.838 55.803 0.001 0.000 0.871 432 Q CB -0.241 28.498 28.738 0.001 0.000 0.990 432 Q HN 0.538 nan 8.270 nan 0.000 0.554 433 N N 1.246 119.947 118.700 0.001 0.000 2.454 433 N HA -0.062 4.678 4.740 0.000 0.000 0.254 433 N C 0.358 175.869 175.510 0.001 0.000 1.228 433 N CA -0.009 53.041 53.050 0.001 0.000 0.900 433 N CB 0.613 39.101 38.487 0.001 0.000 1.089 433 N HN 0.272 nan 8.380 nan 0.000 0.449 434 E N 1.356 121.557 120.200 0.001 0.000 2.338 434 E HA -0.167 4.183 4.350 0.000 0.000 0.197 434 E C 0.271 176.872 176.600 0.002 0.000 1.007 434 E CA 0.834 57.235 56.400 0.001 0.000 0.849 434 E CB 0.137 29.838 29.700 0.001 0.000 0.774 434 E HN 0.547 nan 8.360 nan 0.000 0.506 435 D N 1.281 121.682 120.400 0.002 0.000 2.144 435 D HA -0.160 4.480 4.640 0.000 0.000 0.200 435 D C 1.866 178.167 176.300 0.003 0.000 0.978 435 D CA 1.003 55.004 54.000 0.002 0.000 0.833 435 D CB -0.118 40.684 40.800 0.002 0.000 0.961 435 D HN 0.311 nan 8.370 nan 0.000 0.470 436 Q N 0.052 119.853 119.800 0.003 0.000 2.167 436 Q HA -0.097 4.243 4.340 0.000 0.000 0.202 436 Q C 1.683 177.685 176.000 0.003 0.000 0.970 436 Q CA 0.721 56.526 55.803 0.003 0.000 0.855 436 Q CB 0.217 28.956 28.738 0.002 0.000 0.911 436 Q HN 0.157 nan 8.270 nan 0.000 0.438 437 N N -0.371 118.330 118.700 0.003 0.000 2.084 437 N HA -0.139 4.601 4.740 0.000 0.000 0.190 437 N C 1.739 177.251 175.510 0.003 0.000 1.030 437 N CA 1.086 54.138 53.050 0.003 0.000 0.849 437 N CB -0.430 38.059 38.487 0.002 0.000 1.012 437 N HN 0.059 nan 8.380 nan 0.000 0.423 438 V N 1.071 120.987 119.914 0.003 0.000 2.453 438 V HA -0.199 3.921 4.120 0.000 0.000 0.252 438 V C 2.311 178.408 176.094 0.004 0.000 1.068 438 V CA 2.027 64.329 62.300 0.004 0.000 1.070 438 V CB -1.162 30.663 31.823 0.003 0.000 0.664 438 V HN 0.387 nan 8.190 nan 0.000 0.461 439 G N -0.136 108.666 108.800 0.004 0.000 2.402 439 G HA2 -0.186 3.774 3.960 0.000 0.000 0.216 439 G HA3 -0.186 3.774 3.960 0.000 0.000 0.216 439 G C 1.506 176.409 174.900 0.005 0.000 1.162 439 G CA 0.994 46.097 45.100 0.005 0.000 0.777 439 G HN 0.518 nan 8.290 nan 0.000 0.539 440 I N 0.297 120.869 120.570 0.004 0.000 2.142 440 I HA -0.100 4.070 4.170 0.000 0.000 0.240 440 I C 2.690 178.810 176.117 0.005 0.000 1.078 440 I CA 1.127 62.430 61.300 0.005 0.000 1.343 440 I CB -0.191 37.811 38.000 0.004 0.000 1.046 440 I HN -0.048 nan 8.210 nan 0.000 0.405 441 K N 0.809 121.212 120.400 0.005 0.000 2.113 441 K HA -0.137 4.183 4.320 0.000 0.000 0.208 441 K C 2.008 178.611 176.600 0.006 0.000 1.047 441 K CA 1.106 57.396 56.287 0.005 0.000 0.928 441 K CB -0.755 31.747 32.500 0.005 0.000 0.716 441 K HN 0.127 nan 8.250 nan 0.000 0.446 442 V N 0.368 120.286 119.914 0.006 0.000 2.255 442 V HA -0.295 3.825 4.120 0.000 0.000 0.247 442 V C 2.169 178.268 176.094 0.008 0.000 1.051 442 V CA 2.186 64.490 62.300 0.007 0.000 1.018 442 V CB -0.723 31.105 31.823 0.007 0.000 0.641 442 V HN 0.419 nan 8.190 nan 0.000 0.445 443 A N -0.904 121.921 122.820 0.008 0.000 1.930 443 A HA -0.103 4.218 4.320 0.000 0.000 0.217 443 A C 2.202 179.792 177.584 0.009 0.000 1.175 443 A CA 1.499 53.542 52.037 0.009 0.000 0.627 443 A CB -0.460 18.545 19.000 0.008 0.000 0.815 443 A HN 0.490 nan 8.150 nan 0.000 0.443 444 L N -1.105 120.123 121.223 0.008 0.000 1.970 444 L HA -0.200 4.140 4.340 0.000 0.000 0.212 444 L C 2.823 179.699 176.870 0.010 0.000 1.071 444 L CA 1.978 56.823 54.840 0.009 0.000 0.751 444 L CB -0.486 41.578 42.059 0.008 0.000 0.889 444 L HN 0.435 nan 8.230 nan 0.000 0.432 445 R N 0.040 120.545 120.500 0.009 0.000 2.193 445 R HA -0.153 4.187 4.340 0.000 0.000 0.229 445 R C 2.097 178.402 176.300 0.009 0.000 1.110 445 R CA 1.144 57.249 56.100 0.008 0.000 0.988 445 R CB -0.121 30.184 30.300 0.007 0.000 0.871 445 R HN 0.381 nan 8.270 nan 0.000 0.458 446 A N 0.084 122.910 122.820 0.010 0.000 2.119 446 A HA -0.069 4.251 4.320 0.000 0.000 0.217 446 A C 1.871 179.463 177.584 0.013 0.000 1.153 446 A CA 0.831 52.875 52.037 0.011 0.000 0.692 446 A CB -0.183 18.824 19.000 0.012 0.000 0.799 446 A HN 0.321 nan 8.150 nan 0.000 0.458 447 M N -0.565 119.043 119.600 0.013 0.000 2.506 447 M HA -0.011 4.469 4.480 0.000 0.000 0.260 447 M C 1.050 177.359 176.300 0.015 0.000 1.104 447 M CA 0.676 55.985 55.300 0.015 0.000 1.112 447 M CB -0.056 32.553 32.600 0.015 0.000 1.401 447 M HN 0.417 nan 8.290 nan 0.000 0.473 448 E N 0.647 120.855 120.200 0.013 0.000 2.502 448 E HA 0.066 4.416 4.350 0.000 0.000 0.194 448 E C 1.857 178.464 176.600 0.011 0.000 1.062 448 E CA 0.327 56.735 56.400 0.013 0.000 0.867 448 E CB 0.054 29.760 29.700 0.010 0.000 0.888 448 E HN 0.457 nan 8.360 nan 0.000 0.510 449 A N 2.622 125.448 122.820 0.011 0.000 1.855 449 A HA -0.082 4.238 4.320 0.000 0.000 0.215 449 A C -0.234 177.356 177.584 0.010 0.000 1.191 449 A CA 1.009 53.051 52.037 0.010 0.000 0.613 449 A CB -1.283 17.723 19.000 0.010 0.000 0.829 449 A HN 0.129 nan 8.150 nan 0.000 0.442 450 P HA -0.155 nan 4.420 nan 0.000 0.213 450 P C 1.793 179.102 177.300 0.015 0.000 1.170 450 P CA 1.003 64.111 63.100 0.013 0.000 0.898 450 P CB -0.120 31.588 31.700 0.014 0.000 0.787 451 L N -0.489 120.745 121.223 0.018 0.000 1.990 451 L HA -0.203 4.137 4.340 0.000 0.000 0.213 451 L C 2.476 179.354 176.870 0.013 0.000 1.072 451 L CA 1.997 56.851 54.840 0.023 0.000 0.755 451 L CB -0.692 41.382 42.059 0.026 0.000 0.889 451 L HN -0.266 nan 8.230 nan 0.000 0.432 452 R N -1.103 119.400 120.500 0.005 0.000 2.117 452 R HA -0.245 4.095 4.340 0.000 0.000 0.243 452 R C 2.349 178.649 176.300 -0.001 0.000 1.143 452 R CA 1.767 57.865 56.100 -0.004 0.000 0.968 452 R CB -0.352 29.946 30.300 -0.004 0.000 0.863 452 R HN 0.442 nan 8.270 nan 0.000 0.444 453 Q N 0.554 120.357 119.800 0.005 0.000 2.016 453 Q HA -0.097 4.243 4.340 0.000 0.000 0.200 453 Q C 1.862 177.869 176.000 0.012 0.000 0.978 453 Q CA 1.669 57.476 55.803 0.007 0.000 0.833 453 Q CB -0.140 28.603 28.738 0.007 0.000 0.895 453 Q HN 0.264 nan 8.270 nan 0.000 0.427 454 I N -0.228 120.354 120.570 0.019 0.000 2.113 454 I HA -0.311 3.859 4.170 0.000 0.000 0.242 454 I C 2.208 178.351 176.117 0.044 0.000 1.064 454 I CA 1.302 62.620 61.300 0.030 0.000 1.320 454 I CB -1.306 36.717 38.000 0.039 0.000 1.028 454 I HN 0.090 nan 8.210 nan 0.000 0.406 455 V N 1.005 120.947 119.914 0.046 0.000 2.278 455 V HA -0.307 3.813 4.120 0.000 0.000 0.251 455 V C 2.610 178.714 176.094 0.017 0.000 1.062 455 V CA 2.152 64.471 62.300 0.032 0.000 1.038 455 V CB -0.660 31.134 31.823 -0.048 0.000 0.646 455 V HN 0.336 nan 8.190 nan 0.000 0.447 456 L N 0.432 121.658 121.223 0.006 0.000 2.027 456 L HA -0.121 4.219 4.340 0.000 0.000 0.206 456 L C 2.158 179.033 176.870 0.008 0.000 1.074 456 L CA 1.853 56.694 54.840 0.003 0.000 0.745 456 L CB -0.776 41.283 42.059 -0.001 0.000 0.898 456 L HN 0.327 nan 8.230 nan 0.000 0.433 457 N N -1.228 117.479 118.700 0.011 0.000 2.503 457 N HA -0.178 4.562 4.740 0.000 0.000 0.189 457 N C 1.441 176.959 175.510 0.014 0.000 1.048 457 N CA 1.426 54.483 53.050 0.010 0.000 0.905 457 N CB -0.540 37.953 38.487 0.009 0.000 0.951 457 N HN 0.446 nan 8.380 nan 0.000 0.446 458 C N -1.805 117.508 119.300 0.023 0.000 3.065 458 C HA 0.411 4.871 4.460 0.000 0.000 0.285 458 C C 1.573 176.578 174.990 0.025 0.000 1.257 458 C CA 0.036 59.071 59.018 0.029 0.000 1.691 458 C CB -0.509 27.264 27.740 0.055 0.000 2.089 458 C HN 0.538 nan 8.230 nan 0.000 0.630 459 G N 1.621 110.431 108.800 0.017 0.000 2.137 459 G HA2 -0.160 3.800 3.960 0.000 0.000 0.237 459 G HA3 -0.160 3.800 3.960 0.000 0.000 0.237 459 G C -0.374 174.532 174.900 0.010 0.000 1.002 459 G CA -0.005 45.102 45.100 0.011 0.000 0.702 459 G HN 0.513 nan 8.290 nan 0.000 0.515 460 E N 0.728 120.933 120.200 0.008 0.000 2.242 460 E HA 0.338 4.688 4.350 0.000 0.000 0.275 460 E C 0.386 176.966 176.600 -0.034 0.000 1.002 460 E CA -0.786 55.607 56.400 -0.011 0.000 0.841 460 E CB 0.802 30.493 29.700 -0.016 0.000 1.109 460 E HN 0.318 nan 8.360 nan 0.000 0.394 461 E N 2.911 123.088 120.200 -0.038 0.000 2.729 461 E HA -0.076 4.275 4.350 0.000 0.000 0.246 461 E C -1.667 174.895 176.600 -0.064 0.000 0.984 461 E CA -0.693 55.682 56.400 -0.041 0.000 0.951 461 E CB 0.311 29.988 29.700 -0.038 0.000 0.914 461 E HN 0.249 nan 8.360 nan 0.000 0.509 462 P HA -0.113 nan 4.420 nan 0.000 0.214 462 P C 1.422 178.691 177.300 -0.052 0.000 1.163 462 P CA 1.081 64.147 63.100 -0.057 0.000 0.881 462 P CB -0.013 31.668 31.700 -0.032 0.000 0.775 463 S N 0.247 115.928 115.700 -0.032 0.000 2.444 463 S HA -0.273 4.197 4.470 0.000 0.000 0.274 463 S C 2.064 176.646 174.600 -0.030 0.000 1.130 463 S CA 2.359 60.544 58.200 -0.024 0.000 1.243 463 S CB -2.127 61.062 63.200 -0.018 0.000 1.166 463 S HN -0.032 nan 8.310 nan 0.000 0.439 464 V N 1.542 121.433 119.914 -0.038 0.000 2.295 464 V HA -0.138 3.982 4.120 0.000 0.000 0.246 464 V C 2.681 178.746 176.094 -0.048 0.000 1.049 464 V CA 1.858 64.136 62.300 -0.036 0.000 1.024 464 V CB -0.729 31.075 31.823 -0.030 0.000 0.648 464 V HN 0.504 nan 8.190 nan 0.000 0.447 465 V N 0.066 119.914 119.914 -0.110 0.000 2.343 465 V HA -0.274 3.846 4.120 0.000 0.000 0.247 465 V C 2.658 178.720 176.094 -0.054 0.000 1.051 465 V CA 2.084 64.287 62.300 -0.162 0.000 1.036 465 V CB -1.052 30.480 31.823 -0.485 0.000 0.654 465 V HN 0.580 nan 8.190 nan 0.000 0.451 466 A N 0.693 123.484 122.820 -0.048 0.000 1.877 466 A HA -0.323 3.997 4.320 0.000 0.000 0.216 466 A C 2.062 179.655 177.584 0.014 0.000 1.186 466 A CA 2.406 54.438 52.037 -0.008 0.000 0.620 466 A CB -1.018 17.977 19.000 -0.009 0.000 0.822 466 A HN 0.724 nan 8.150 nan 0.000 0.443 467 N N -0.425 118.276 118.700 0.003 0.000 2.137 467 N HA -0.206 4.534 4.740 0.000 0.000 0.190 467 N C 1.749 177.269 175.510 0.017 0.000 1.017 467 N CA 2.958 56.013 53.050 0.008 0.000 0.859 467 N CB -0.448 38.037 38.487 -0.003 0.000 1.002 467 N HN 0.513 nan 8.380 nan 0.000 0.428 468 T N -1.953 112.609 114.554 0.012 0.000 2.812 468 T HA -0.029 4.321 4.350 0.000 0.000 0.264 468 T C 1.945 176.700 174.700 0.092 0.000 1.042 468 T CA 1.340 63.440 62.100 -0.000 0.000 1.140 468 T CB -0.847 67.930 68.868 -0.151 0.000 0.870 468 T HN 0.020 nan 8.240 nan 0.000 0.445 469 V N 2.198 122.193 119.914 0.134 0.000 2.317 469 V HA -0.233 3.887 4.120 0.000 0.000 0.251 469 V C 2.904 179.093 176.094 0.159 0.000 1.065 469 V CA 2.221 64.607 62.300 0.144 0.000 1.049 469 V CB -0.698 31.184 31.823 0.099 0.000 0.651 469 V HN 0.547 nan 8.190 nan 0.000 0.450 470 K N 0.156 120.616 120.400 0.099 0.000 2.057 470 K HA -0.121 4.199 4.320 0.000 0.000 0.207 470 K C 2.199 178.847 176.600 0.078 0.000 1.049 470 K CA 1.478 57.811 56.287 0.077 0.000 0.931 470 K CB -0.674 31.853 32.500 0.045 0.000 0.714 470 K HN 0.588 nan 8.250 nan 0.000 0.440 471 G N 0.969 109.814 108.800 0.074 0.000 2.535 471 G HA2 -0.103 3.857 3.960 0.000 0.000 0.218 471 G HA3 -0.103 3.857 3.960 0.000 0.000 0.218 471 G C 0.740 175.668 174.900 0.046 0.000 1.122 471 G CA 0.722 45.850 45.100 0.047 0.000 0.769 471 G HN 0.355 nan 8.290 nan 0.000 0.549 472 G N -1.094 107.783 108.800 0.129 0.000 2.531 472 G HA2 0.506 4.466 3.960 0.000 0.000 0.281 472 G HA3 0.506 4.466 3.960 0.000 0.000 0.281 472 G C -1.032 173.912 174.900 0.073 0.000 1.382 472 G CA -0.487 44.653 45.100 0.067 0.000 1.045 472 G HN 0.109 nan 8.290 nan 0.000 0.533 473 D N -1.809 118.621 120.400 0.050 0.000 2.477 473 D HA 0.499 5.139 4.640 0.000 0.000 0.234 473 D C 1.019 177.377 176.300 0.097 0.000 1.048 473 D CA 0.572 54.607 54.000 0.058 0.000 0.959 473 D CB 1.927 42.733 40.800 0.010 0.000 1.408 473 D HN 0.739 nan 8.370 nan 0.000 0.496 474 G N 1.684 110.527 108.800 0.073 0.000 2.698 474 G HA2 -0.347 3.613 3.960 0.000 0.000 0.337 474 G HA3 -0.347 3.613 3.960 0.000 0.000 0.337 474 G C 0.528 175.490 174.900 0.103 0.000 1.286 474 G CA 0.284 45.427 45.100 0.072 0.000 1.000 474 G HN 0.579 nan 8.290 nan 0.000 0.547 475 N N 0.426 119.190 118.700 0.108 0.000 2.378 475 N HA 0.206 4.946 4.740 0.000 0.000 0.243 475 N C -0.390 175.219 175.510 0.166 0.000 1.137 475 N CA -0.004 53.111 53.050 0.108 0.000 0.862 475 N CB 0.192 38.721 38.487 0.071 0.000 1.116 475 N HN 0.435 nan 8.380 nan 0.000 0.499 476 Y N 0.833 121.164 120.300 0.052 0.000 2.319 476 Y HA 0.524 5.074 4.550 0.000 0.000 0.328 476 Y C 0.678 176.643 175.900 0.108 0.000 1.133 476 Y CA -0.257 57.889 58.100 0.076 0.000 1.265 476 Y CB 0.627 39.129 38.460 0.070 0.000 1.218 476 Y HN 0.145 nan 8.280 nan 0.000 0.508 477 G N 3.815 112.328 108.800 -0.479 0.000 2.548 477 G HA2 0.273 4.233 3.960 0.000 0.000 0.301 477 G HA3 0.273 4.233 3.960 0.000 0.000 0.301 477 G C -2.561 172.192 174.900 -0.246 0.000 1.349 477 G CA -0.952 43.976 45.100 -0.286 0.000 0.792 477 G HN 0.586 nan 8.290 nan 0.000 0.481 478 Y N 1.351 121.490 120.300 -0.269 0.000 2.331 478 Y HA 0.643 5.194 4.550 0.000 0.000 0.338 478 Y C -0.244 175.480 175.900 -0.294 0.000 0.992 478 Y CA -1.314 56.524 58.100 -0.436 0.000 1.121 478 Y CB 1.721 39.901 38.460 -0.467 0.000 1.184 478 Y HN 0.477 nan 8.280 nan 0.000 0.469 479 N N 4.865 123.094 118.700 -0.785 0.000 2.500 479 N HA 0.237 4.977 4.740 0.000 0.000 0.236 479 N C 0.357 175.283 175.510 -0.973 0.000 1.022 479 N CA 0.345 53.027 53.050 -0.614 0.000 0.935 479 N CB 1.263 39.523 38.487 -0.379 0.000 1.147 479 N HN 0.851 nan 8.380 nan 0.000 0.512 480 A N 3.468 125.862 122.820 -0.711 0.000 2.125 480 A HA -0.028 4.292 4.320 0.000 0.000 0.219 480 A C 1.953 179.382 177.584 -0.259 0.000 1.156 480 A CA 1.601 53.380 52.037 -0.429 0.000 0.671 480 A CB -0.558 18.412 19.000 -0.050 0.000 0.794 480 A HN 0.731 nan 8.150 nan 0.000 0.459 481 A N -0.668 122.011 122.820 -0.235 0.000 1.968 481 A HA 0.040 4.360 4.320 0.000 0.000 0.217 481 A C 2.127 179.623 177.584 -0.146 0.000 1.169 481 A CA 2.076 54.026 52.037 -0.146 0.000 0.638 481 A CB -0.533 18.400 19.000 -0.112 0.000 0.812 481 A HN 0.825 nan 8.150 nan 0.000 0.446 482 T N -3.798 110.630 114.554 -0.210 0.000 3.043 482 T HA 0.226 4.576 4.350 0.000 0.000 0.272 482 T C 0.141 174.727 174.700 -0.189 0.000 0.990 482 T CA 0.627 62.632 62.100 -0.158 0.000 0.897 482 T CB -0.239 68.546 68.868 -0.137 0.000 1.111 482 T HN 0.567 nan 8.240 nan 0.000 0.529 483 E N 0.249 120.255 120.200 -0.324 0.000 2.539 483 E HA -0.215 4.135 4.350 0.000 0.000 0.253 483 E C -0.485 175.946 176.600 -0.281 0.000 1.145 483 E CA 0.724 56.930 56.400 -0.323 0.000 0.738 483 E CB -2.189 27.505 29.700 -0.011 0.000 1.308 483 E HN 0.712 nan 8.360 nan 0.000 0.409 484 E N -0.596 119.371 120.200 -0.388 0.000 2.221 484 E HA 0.507 4.857 4.350 0.000 0.000 0.268 484 E C -0.625 175.786 176.600 -0.316 0.000 0.933 484 E CA -0.725 55.554 56.400 -0.202 0.000 0.809 484 E CB 0.946 30.603 29.700 -0.073 0.000 1.190 484 E HN 0.090 nan 8.360 nan 0.000 0.406 485 Y N 0.234 120.546 120.300 0.021 0.000 2.326 485 Y HA 0.702 5.252 4.550 0.000 0.000 0.324 485 Y C 1.046 176.950 175.900 0.007 0.000 1.291 485 Y CA 0.279 58.354 58.100 -0.041 0.000 1.348 485 Y CB 1.550 40.018 38.460 0.013 0.000 1.294 485 Y HN 0.620 nan 8.280 nan 0.000 0.525 486 G N 0.257 109.122 108.800 0.108 0.000 2.336 486 G HA2 -0.018 3.942 3.960 0.000 0.000 0.286 486 G HA3 -0.018 3.942 3.960 0.000 0.000 0.286 486 G C -1.820 173.220 174.900 0.232 0.000 1.269 486 G CA -1.145 44.103 45.100 0.246 0.000 0.873 486 G HN 0.554 nan 8.290 nan 0.000 0.494 487 N N 1.359 120.173 118.700 0.189 0.000 2.415 487 N HA 0.125 4.865 4.740 0.000 0.000 0.246 487 N C 1.817 177.366 175.510 0.065 0.000 1.078 487 N CA -0.540 52.600 53.050 0.150 0.000 0.942 487 N CB 0.672 39.230 38.487 0.118 0.000 1.140 487 N HN 0.413 nan 8.380 nan 0.000 0.501 488 M N 3.340 122.962 119.600 0.037 0.000 2.143 488 M HA -0.221 4.259 4.480 0.000 0.000 0.258 488 M C 1.675 177.978 176.300 0.005 0.000 1.071 488 M CA 1.444 56.742 55.300 -0.003 0.000 1.088 488 M CB -0.604 31.989 32.600 -0.011 0.000 1.360 488 M HN 0.572 nan 8.290 nan 0.000 0.404 489 I N 0.161 120.744 120.570 0.022 0.000 2.439 489 I HA -0.243 3.927 4.170 0.000 0.000 0.251 489 I C 1.813 177.938 176.117 0.014 0.000 1.139 489 I CA 1.020 62.330 61.300 0.017 0.000 1.438 489 I CB -0.287 37.727 38.000 0.023 0.000 1.085 489 I HN 0.197 nan 8.210 nan 0.000 0.427 490 D N 0.513 120.926 120.400 0.022 0.000 2.149 490 D HA -0.083 4.557 4.640 0.000 0.000 0.201 490 D C 2.031 178.335 176.300 0.008 0.000 0.972 490 D CA 1.207 55.218 54.000 0.019 0.000 0.835 490 D CB -0.140 40.677 40.800 0.029 0.000 0.966 490 D HN 0.328 nan 8.370 nan 0.000 0.476 491 M N -0.427 119.174 119.600 0.002 0.000 2.682 491 M HA 0.182 4.662 4.480 0.000 0.000 0.235 491 M C 1.020 177.306 176.300 -0.023 0.000 1.114 491 M CA 0.541 55.831 55.300 -0.017 0.000 1.053 491 M CB 0.094 32.672 32.600 -0.036 0.000 1.599 491 M HN -0.014 nan 8.290 nan 0.000 0.520 492 G N 1.942 110.734 108.800 -0.013 0.000 2.221 492 G HA2 -0.204 3.756 3.960 0.000 0.000 0.265 492 G HA3 -0.204 3.756 3.960 0.000 0.000 0.265 492 G C -0.205 174.683 174.900 -0.020 0.000 1.041 492 G CA -0.278 44.813 45.100 -0.014 0.000 0.807 492 G HN 0.432 nan 8.290 nan 0.000 0.502 493 I N 0.956 121.511 120.570 -0.025 0.000 2.503 493 I HA 0.504 4.674 4.170 0.000 0.000 0.277 493 I C 0.130 176.236 176.117 -0.017 0.000 1.078 493 I CA -1.269 60.013 61.300 -0.030 0.000 1.184 493 I CB 0.186 38.154 38.000 -0.053 0.000 1.353 493 I HN 0.269 nan 8.210 nan 0.000 0.490 494 L N 2.435 123.653 121.223 -0.009 0.000 2.409 494 L HA 0.771 5.111 4.340 0.000 0.000 0.262 494 L C -0.752 176.119 176.870 0.002 0.000 0.992 494 L CA -0.593 54.246 54.840 -0.000 0.000 0.817 494 L CB 1.819 43.880 42.059 0.005 0.000 1.350 494 L HN -0.004 nan 8.230 nan 0.000 0.411 495 D N 1.640 122.043 120.400 0.006 0.000 2.163 495 D HA 0.503 5.143 4.640 0.000 0.000 0.248 495 D C -2.496 173.812 176.300 0.013 0.000 1.035 495 D CA -1.366 52.639 54.000 0.009 0.000 0.872 495 D CB 1.763 42.569 40.800 0.009 0.000 1.183 495 D HN 0.402 nan 8.370 nan 0.000 0.445 496 P HA 0.032 nan 4.420 nan 0.000 0.269 496 P C 0.749 178.061 177.300 0.020 0.000 1.217 496 P CA 0.046 63.158 63.100 0.020 0.000 0.783 496 P CB 0.658 32.373 31.700 0.026 0.000 0.898 497 T N 0.799 115.365 114.554 0.020 0.000 2.770 497 T HA -0.129 4.221 4.350 0.000 0.000 0.263 497 T C 1.646 176.358 174.700 0.020 0.000 1.039 497 T CA 1.154 63.265 62.100 0.018 0.000 1.142 497 T CB -0.410 68.468 68.868 0.016 0.000 0.868 497 T HN 0.445 nan 8.240 nan 0.000 0.435 498 K N 0.988 121.401 120.400 0.022 0.000 2.044 498 K HA -0.241 4.079 4.320 0.000 0.000 0.224 498 K C 2.292 178.911 176.600 0.033 0.000 1.056 498 K CA 2.349 58.652 56.287 0.027 0.000 0.962 498 K CB -0.839 31.681 32.500 0.034 0.000 0.730 498 K HN 0.267 nan 8.250 nan 0.000 0.453 499 V N -0.431 119.502 119.914 0.032 0.000 2.295 499 V HA -0.212 3.908 4.120 0.000 0.000 0.246 499 V C 1.830 177.945 176.094 0.035 0.000 1.049 499 V CA 2.594 64.914 62.300 0.034 0.000 1.024 499 V CB -0.895 30.940 31.823 0.020 0.000 0.648 499 V HN 0.511 nan 8.190 nan 0.000 0.447 500 T N 0.579 115.149 114.554 0.026 0.000 2.788 500 T HA -0.174 4.176 4.350 0.000 0.000 0.268 500 T C 1.935 176.651 174.700 0.026 0.000 1.044 500 T CA 2.130 64.244 62.100 0.025 0.000 1.139 500 T CB -0.381 68.499 68.868 0.020 0.000 0.867 500 T HN 0.701 nan 8.240 nan 0.000 0.454 501 R N 0.987 121.499 120.500 0.020 0.000 2.061 501 R HA -0.078 4.262 4.340 0.000 0.000 0.230 501 R C 2.523 178.829 176.300 0.010 0.000 1.140 501 R CA 1.875 57.980 56.100 0.009 0.000 0.940 501 R CB -0.555 29.745 30.300 -0.001 0.000 0.839 501 R HN 0.222 nan 8.270 nan 0.000 0.429 502 S N 1.181 116.900 115.700 0.031 0.000 2.369 502 S HA -0.245 4.225 4.470 0.000 0.000 0.225 502 S C 2.173 176.875 174.600 0.170 0.000 1.043 502 S CA 1.535 59.785 58.200 0.083 0.000 1.074 502 S CB -0.649 62.662 63.200 0.185 0.000 0.962 502 S HN 0.616 nan 8.310 nan 0.000 0.433 503 A N 1.408 124.310 122.820 0.136 0.000 1.915 503 A HA -0.183 4.137 4.320 0.000 0.000 0.220 503 A C 2.157 179.799 177.584 0.098 0.000 1.198 503 A CA 1.782 53.890 52.037 0.119 0.000 0.647 503 A CB -0.930 18.109 19.000 0.064 0.000 0.825 503 A HN 0.479 nan 8.150 nan 0.000 0.456 504 L N -1.305 119.950 121.223 0.054 0.000 2.056 504 L HA -0.215 4.125 4.340 0.000 0.000 0.207 504 L C 2.824 179.705 176.870 0.018 0.000 1.078 504 L CA 1.860 56.718 54.840 0.031 0.000 0.749 504 L CB -0.395 41.672 42.059 0.012 0.000 0.901 504 L HN 0.552 nan 8.230 nan 0.000 0.433 505 Q N -1.645 118.142 119.800 -0.022 0.000 2.137 505 Q HA -0.192 4.148 4.340 0.000 0.000 0.198 505 Q C 1.974 177.918 176.000 -0.092 0.000 0.960 505 Q CA 1.376 57.117 55.803 -0.104 0.000 0.847 505 Q CB 0.012 28.620 28.738 -0.217 0.000 0.915 505 Q HN 0.444 nan 8.270 nan 0.000 0.448 506 Y N 0.053 120.354 120.300 0.002 0.000 2.220 506 Y HA -0.090 4.460 4.550 0.000 0.000 0.291 506 Y C 2.307 178.208 175.900 0.002 0.000 1.129 506 Y CA 0.874 58.975 58.100 0.001 0.000 1.161 506 Y CB -0.557 37.902 38.460 -0.001 0.000 0.997 506 Y HN 0.112 nan 8.280 nan 0.000 0.522 507 A N 0.057 122.982 122.820 0.176 0.000 1.908 507 A HA -0.189 4.131 4.320 0.000 0.000 0.218 507 A C 2.469 180.093 177.584 0.068 0.000 1.181 507 A CA 2.042 54.136 52.037 0.095 0.000 0.627 507 A CB -1.260 17.779 19.000 0.064 0.000 0.818 507 A HN 0.398 nan 8.150 nan 0.000 0.445 508 A N -0.351 122.498 122.820 0.049 0.000 1.902 508 A HA -0.117 4.203 4.320 0.000 0.000 0.217 508 A C 2.510 180.113 177.584 0.031 0.000 1.181 508 A CA 2.386 54.439 52.037 0.027 0.000 0.623 508 A CB -1.088 17.916 19.000 0.006 0.000 0.818 508 A HN 0.823 nan 8.150 nan 0.000 0.443 509 S N -0.603 115.120 115.700 0.039 0.000 2.363 509 S HA -0.182 4.288 4.470 0.000 0.000 0.218 509 S C 1.971 176.603 174.600 0.055 0.000 1.035 509 S CA 2.085 60.311 58.200 0.044 0.000 1.043 509 S CB -1.001 62.240 63.200 0.068 0.000 0.986 509 S HN 0.691 nan 8.310 nan 0.000 0.423 510 V N 2.172 122.132 119.914 0.076 0.000 2.324 510 V HA -0.115 4.005 4.120 0.000 0.000 0.250 510 V C 2.860 178.979 176.094 0.042 0.000 1.060 510 V CA 2.398 64.733 62.300 0.058 0.000 1.042 510 V CB -1.442 30.415 31.823 0.057 0.000 0.650 510 V HN 0.694 nan 8.190 nan 0.000 0.450 511 A N -0.124 122.719 122.820 0.039 0.000 1.883 511 A HA -0.074 4.246 4.320 0.000 0.000 0.217 511 A C 2.382 179.981 177.584 0.025 0.000 1.186 511 A CA 2.081 54.135 52.037 0.029 0.000 0.624 511 A CB -1.554 17.462 19.000 0.026 0.000 0.822 511 A HN 0.683 nan 8.150 nan 0.000 0.444 512 G N 0.122 108.936 108.800 0.024 0.000 2.586 512 G HA2 -0.243 3.717 3.960 0.000 0.000 0.218 512 G HA3 -0.243 3.717 3.960 0.000 0.000 0.218 512 G C 1.359 176.273 174.900 0.023 0.000 1.216 512 G CA 1.386 46.498 45.100 0.020 0.000 0.786 512 G HN 0.341 nan 8.290 nan 0.000 0.583 513 L N 0.480 121.719 121.223 0.027 0.000 2.054 513 L HA -0.208 4.132 4.340 0.000 0.000 0.220 513 L C 3.099 179.985 176.870 0.028 0.000 1.081 513 L CA 1.890 56.747 54.840 0.028 0.000 0.780 513 L CB -0.733 41.346 42.059 0.033 0.000 0.893 513 L HN 0.332 nan 8.230 nan 0.000 0.438 514 M N -1.951 117.666 119.600 0.027 0.000 2.254 514 M HA -0.153 4.327 4.480 0.000 0.000 0.265 514 M C 2.195 178.509 176.300 0.023 0.000 1.066 514 M CA 1.460 56.776 55.300 0.026 0.000 1.123 514 M CB -0.406 32.209 32.600 0.025 0.000 1.388 514 M HN 0.164 nan 8.290 nan 0.000 0.425 515 I N 0.229 120.812 120.570 0.021 0.000 2.756 515 I HA -0.158 4.012 4.170 0.000 0.000 0.262 515 I C 1.589 177.718 176.117 0.020 0.000 1.225 515 I CA 1.084 62.395 61.300 0.018 0.000 1.472 515 I CB -0.396 37.613 38.000 0.016 0.000 1.094 515 I HN 0.323 nan 8.210 nan 0.000 0.454 516 T N -3.219 111.349 114.554 0.022 0.000 3.258 516 T HA 0.245 4.595 4.350 0.000 0.000 0.263 516 T C 0.402 175.120 174.700 0.030 0.000 0.983 516 T CA -0.360 61.754 62.100 0.024 0.000 0.907 516 T CB -0.415 68.466 68.868 0.021 0.000 1.096 516 T HN -0.087 nan 8.240 nan 0.000 0.556 517 T N 1.975 116.549 114.554 0.033 0.000 2.794 517 T HA 0.386 4.736 4.350 0.000 0.000 0.280 517 T C 0.443 175.173 174.700 0.050 0.000 0.987 517 T CA -0.575 61.549 62.100 0.040 0.000 0.993 517 T CB 1.747 70.637 68.868 0.037 0.000 0.939 517 T HN 0.086 nan 8.240 nan 0.000 0.449 518 E N 0.518 120.760 120.200 0.070 0.000 2.539 518 E HA 0.204 4.554 4.350 0.000 0.000 0.215 518 E C 0.000 176.697 176.600 0.162 0.000 0.965 518 E CA 0.091 56.554 56.400 0.104 0.000 1.019 518 E CB 0.767 30.530 29.700 0.105 0.000 1.059 518 E HN 0.588 nan 8.360 nan 0.000 0.496 519 C N 0.383 119.745 119.300 0.104 0.000 3.181 519 C HA 0.665 5.125 4.460 0.000 0.000 0.362 519 C C -1.678 173.301 174.990 -0.019 0.000 1.125 519 C CA -0.604 58.442 59.018 0.046 0.000 1.265 519 C CB 0.407 28.241 27.740 0.157 0.000 1.632 519 C HN 0.120 nan 8.230 nan 0.000 0.525 520 M N 4.815 124.364 119.600 -0.085 0.000 2.386 520 M HA 0.599 5.079 4.480 0.000 0.000 0.293 520 M C -1.203 175.147 176.300 0.083 0.000 1.120 520 M CA -0.562 54.768 55.300 0.050 0.000 0.909 520 M CB 2.244 34.958 32.600 0.190 0.000 1.661 520 M HN 0.422 nan 8.290 nan 0.000 0.452 521 V N 1.420 121.365 119.914 0.052 0.000 2.531 521 V HA 0.796 4.916 4.120 0.000 0.000 0.301 521 V C -0.364 175.695 176.094 -0.057 0.000 1.034 521 V CA -0.314 61.989 62.300 0.006 0.000 0.865 521 V CB 2.051 33.864 31.823 -0.018 0.000 0.995 521 V HN 0.960 nan 8.190 nan 0.000 0.424 522 T N 2.260 116.737 114.554 -0.128 0.000 2.792 522 T HA 0.428 4.778 4.350 0.000 0.000 0.303 522 T C -1.115 173.479 174.700 -0.176 0.000 1.310 522 T CA -0.568 61.395 62.100 -0.228 0.000 1.007 522 T CB 1.857 70.418 68.868 -0.512 0.000 1.335 522 T HN 0.625 nan 8.240 nan 0.000 0.504 523 D N 1.261 121.566 120.400 -0.158 0.000 2.368 523 D HA 0.305 4.945 4.640 0.000 0.000 0.240 523 D C 0.178 176.415 176.300 -0.105 0.000 1.169 523 D CA 0.052 53.989 54.000 -0.106 0.000 0.906 523 D CB 0.371 41.122 40.800 -0.081 0.000 1.187 523 D HN 0.385 nan 8.370 nan 0.000 0.435 524 L N 3.065 124.255 121.223 -0.056 0.000 2.455 524 L HA 0.160 4.500 4.340 0.000 0.000 0.272 524 L C -1.292 175.557 176.870 -0.036 0.000 1.174 524 L CA -1.507 53.315 54.840 -0.031 0.000 0.869 524 L CB 0.021 42.071 42.059 -0.014 0.000 1.130 524 L HN 0.399 nan 8.230 nan 0.000 0.474 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.087 63.100 -0.021 0.000 0.800 525 P CB 0.000 31.701 31.700 0.002 0.000 0.726