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 1j4z_1_D DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEAALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNADQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.584 177.584 -0.000 0.000 1.274 2 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 2 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 3 A N 1.287 124.105 122.820 -0.003 0.000 2.547 3 A HA 0.388 4.708 4.320 -0.000 0.000 0.269 3 A C 0.443 178.023 177.584 -0.006 0.000 1.041 3 A CA 0.684 52.719 52.037 -0.003 0.000 0.855 3 A CB -0.732 18.264 19.000 -0.007 0.000 0.934 3 A HN 0.550 nan 8.150 nan 0.000 0.521 4 K N 1.855 122.257 120.400 0.003 0.000 2.109 4 K HA 0.408 4.728 4.320 -0.000 0.000 0.243 4 K C -0.537 176.064 176.600 0.002 0.000 1.006 4 K CA -0.620 55.671 56.287 0.006 0.000 0.917 4 K CB 0.855 33.370 32.500 0.024 0.000 1.081 4 K HN 0.728 nan 8.250 nan 0.000 0.468 5 D N 0.206 120.612 120.400 0.010 0.000 2.350 5 D HA 0.428 5.068 4.640 -0.000 0.000 0.245 5 D C -1.490 174.867 176.300 0.096 0.000 1.036 5 D CA -0.699 53.311 54.000 0.017 0.000 0.848 5 D CB 1.487 42.257 40.800 -0.050 0.000 1.307 5 D HN 0.054 nan 8.370 nan 0.000 0.469 6 V N 3.704 123.630 119.914 0.021 0.000 2.686 6 V HA 0.457 4.577 4.120 -0.000 0.000 0.306 6 V C -0.295 175.569 176.094 -0.382 0.000 1.065 6 V CA -0.759 61.464 62.300 -0.129 0.000 0.894 6 V CB 2.081 33.784 31.823 -0.200 0.000 1.004 6 V HN 0.462 nan 8.190 nan 0.000 0.424 7 K N 3.405 123.501 120.400 -0.506 0.000 2.375 7 K HA 0.822 5.142 4.320 -0.000 0.000 0.249 7 K C -1.740 174.471 176.600 -0.648 0.000 0.942 7 K CA -0.499 55.435 56.287 -0.589 0.000 0.806 7 K CB 2.382 34.670 32.500 -0.352 0.000 1.227 7 K HN 0.447 nan 8.250 nan 0.000 0.430 8 F N -0.216 119.687 119.950 -0.079 0.000 2.620 8 F HA 0.594 5.121 4.527 -0.000 0.000 0.320 8 F C 0.881 176.645 175.800 -0.060 0.000 1.069 8 F CA -0.446 57.511 58.000 -0.071 0.000 0.953 8 F CB 1.286 40.262 39.000 -0.040 0.000 1.322 8 F HN 0.767 nan 8.300 nan 0.000 0.479 9 G N 1.344 110.245 108.800 0.168 0.000 2.601 9 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.261 9 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.261 9 G C 0.800 175.717 174.900 0.028 0.000 1.289 9 G CA 0.395 45.540 45.100 0.075 0.000 0.920 9 G HN 0.832 nan 8.290 nan 0.000 0.571 10 N N 0.279 118.992 118.700 0.020 0.000 2.100 10 N HA -0.280 4.460 4.740 -0.000 0.000 0.199 10 N C 1.737 177.242 175.510 -0.008 0.000 1.017 10 N CA 2.303 55.357 53.050 0.006 0.000 0.890 10 N CB -0.397 38.097 38.487 0.011 0.000 1.080 10 N HN 0.699 nan 8.380 nan 0.000 0.525 11 D N 0.731 121.128 120.400 -0.005 0.000 2.355 11 D HA -0.270 4.370 4.640 -0.000 0.000 0.192 11 D C 1.819 178.072 176.300 -0.079 0.000 1.014 11 D CA 1.917 55.905 54.000 -0.021 0.000 0.862 11 D CB -0.810 39.980 40.800 -0.016 0.000 0.986 11 D HN 0.441 nan 8.370 nan 0.000 0.456 12 A N -0.038 122.701 122.820 -0.135 0.000 2.042 12 A HA -0.267 4.053 4.320 -0.000 0.000 0.222 12 A C 2.122 179.605 177.584 -0.169 0.000 1.167 12 A CA 1.984 53.871 52.037 -0.249 0.000 0.649 12 A CB -0.391 18.500 19.000 -0.183 0.000 0.809 12 A HN 0.194 nan 8.150 nan 0.000 0.457 13 R N -1.098 119.353 120.500 -0.081 0.000 2.062 13 R HA 0.014 4.354 4.340 -0.000 0.000 0.218 13 R C 2.233 178.517 176.300 -0.028 0.000 1.161 13 R CA 1.106 57.177 56.100 -0.048 0.000 0.994 13 R CB -0.727 29.558 30.300 -0.025 0.000 0.888 13 R HN 0.506 nan 8.270 nan 0.000 0.442 14 V N 0.846 120.751 119.914 -0.015 0.000 2.370 14 V HA -0.287 3.833 4.120 -0.000 0.000 0.252 14 V C 1.881 177.981 176.094 0.010 0.000 1.068 14 V CA 1.679 63.979 62.300 0.001 0.000 1.061 14 V CB -0.530 31.298 31.823 0.008 0.000 0.656 14 V HN 0.142 nan 8.190 nan 0.000 0.455 15 K N -0.051 120.356 120.400 0.010 0.000 2.002 15 K HA -0.028 4.292 4.320 -0.000 0.000 0.209 15 K C 2.273 178.895 176.600 0.037 0.000 1.048 15 K CA 2.141 58.459 56.287 0.051 0.000 0.930 15 K CB -0.572 31.988 32.500 0.102 0.000 0.714 15 K HN 0.545 nan 8.250 nan 0.000 0.438 16 M N 0.489 120.089 119.600 0.000 0.000 2.080 16 M HA -0.215 4.265 4.480 -0.000 0.000 0.260 16 M C 2.232 178.537 176.300 0.009 0.000 1.068 16 M CA 1.260 56.562 55.300 0.003 0.000 1.109 16 M CB -0.451 32.137 32.600 -0.020 0.000 1.342 16 M HN 0.071 nan 8.290 nan 0.000 0.405 17 L N 0.779 122.004 121.223 0.004 0.000 1.932 17 L HA -0.225 4.115 4.340 -0.000 0.000 0.217 17 L C 2.438 179.315 176.870 0.011 0.000 1.077 17 L CA 2.114 56.957 54.840 0.006 0.000 0.765 17 L CB -1.026 41.035 42.059 0.004 0.000 0.888 17 L HN 0.161 nan 8.230 nan 0.000 0.433 18 R N 0.323 120.831 120.500 0.014 0.000 2.174 18 R HA -0.147 4.193 4.340 -0.000 0.000 0.253 18 R C 2.107 178.418 176.300 0.018 0.000 1.165 18 R CA 1.856 57.966 56.100 0.016 0.000 0.984 18 R CB -1.566 28.746 30.300 0.021 0.000 0.873 18 R HN 0.632 nan 8.270 nan 0.000 0.456 19 G N -0.619 108.196 108.800 0.025 0.000 2.408 19 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.217 19 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.217 19 G C 1.413 176.322 174.900 0.017 0.000 1.150 19 G CA 1.045 46.161 45.100 0.026 0.000 0.776 19 G HN 0.379 nan 8.290 nan 0.000 0.542 20 V N -1.243 118.678 119.914 0.013 0.000 2.649 20 V HA 0.020 4.140 4.120 -0.000 0.000 0.248 20 V C 2.177 178.274 176.094 0.006 0.000 1.054 20 V CA 1.566 63.871 62.300 0.008 0.000 1.073 20 V CB -0.593 31.234 31.823 0.007 0.000 0.699 20 V HN 0.127 nan 8.190 nan 0.000 0.463 21 N N 1.069 119.773 118.700 0.006 0.000 2.258 21 N HA -0.132 4.608 4.740 -0.000 0.000 0.187 21 N C 1.630 177.141 175.510 0.003 0.000 1.012 21 N CA 1.686 54.739 53.050 0.004 0.000 0.870 21 N CB -0.404 38.086 38.487 0.005 0.000 0.977 21 N HN 0.527 nan 8.380 nan 0.000 0.434 22 V N 0.682 120.599 119.914 0.004 0.000 2.256 22 V HA -0.132 3.988 4.120 -0.000 0.000 0.240 22 V C 2.317 178.411 176.094 -0.000 0.000 1.036 22 V CA 0.837 63.138 62.300 0.002 0.000 1.008 22 V CB -0.631 31.193 31.823 0.002 0.000 0.648 22 V HN 0.178 nan 8.190 nan 0.000 0.453 23 L N 0.770 121.993 121.223 0.000 0.000 2.089 23 L HA -0.210 4.130 4.340 -0.000 0.000 0.213 23 L C 2.218 179.087 176.870 -0.002 0.000 1.079 23 L CA 2.504 57.343 54.840 -0.002 0.000 0.758 23 L CB -0.978 41.080 42.059 -0.001 0.000 0.891 23 L HN 0.283 nan 8.230 nan 0.000 0.433 24 A N -0.831 121.989 122.820 -0.000 0.000 1.824 24 A HA -0.168 4.152 4.320 -0.000 0.000 0.215 24 A C 1.960 179.543 177.584 -0.002 0.000 1.244 24 A CA 1.381 53.417 52.037 -0.001 0.000 0.604 24 A CB -1.148 17.853 19.000 0.001 0.000 0.900 24 A HN 0.475 nan 8.150 nan 0.000 0.455 25 D N 0.244 120.643 120.400 -0.002 0.000 2.276 25 D HA -0.162 4.478 4.640 -0.000 0.000 0.200 25 D C 1.582 177.880 176.300 -0.004 0.000 1.004 25 D CA 1.602 55.600 54.000 -0.003 0.000 0.898 25 D CB -0.272 40.526 40.800 -0.002 0.000 0.906 25 D HN 0.436 nan 8.370 nan 0.000 0.457 26 A N -0.430 122.388 122.820 -0.004 0.000 2.337 26 A HA 0.277 4.597 4.320 -0.000 0.000 0.227 26 A C 1.649 179.230 177.584 -0.005 0.000 1.259 26 A CA -0.022 52.012 52.037 -0.005 0.000 0.870 26 A CB 0.544 19.541 19.000 -0.005 0.000 0.927 26 A HN 0.131 nan 8.150 nan 0.000 0.497 27 V N -0.856 119.055 119.914 -0.005 0.000 3.245 27 V HA -0.027 4.093 4.120 -0.000 0.000 0.246 27 V C 1.609 177.700 176.094 -0.005 0.000 1.487 27 V CA 0.845 63.141 62.300 -0.005 0.000 1.154 27 V CB 0.034 31.854 31.823 -0.005 0.000 0.971 27 V HN 0.665 nan 8.190 nan 0.000 0.443 28 K N 2.256 122.654 120.400 -0.005 0.000 2.665 28 K HA 0.013 4.333 4.320 -0.000 0.000 0.196 28 K C 1.195 177.791 176.600 -0.007 0.000 1.021 28 K CA 1.408 57.691 56.287 -0.006 0.000 1.066 28 K CB -0.138 32.359 32.500 -0.006 0.000 0.849 28 K HN 0.522 nan 8.250 nan 0.000 0.500 29 V N -2.783 117.128 119.914 -0.006 0.000 2.908 29 V HA -0.036 4.084 4.120 -0.000 0.000 0.240 29 V C 2.110 178.200 176.094 -0.006 0.000 1.117 29 V CA 0.759 63.055 62.300 -0.006 0.000 1.133 29 V CB -0.285 31.534 31.823 -0.006 0.000 0.857 29 V HN 0.427 nan 8.190 nan 0.000 0.478 30 T N -0.441 114.110 114.554 -0.005 0.000 3.427 30 T HA 0.109 4.459 4.350 -0.000 0.000 0.256 30 T C 0.418 175.115 174.700 -0.004 0.000 1.172 30 T CA 0.155 62.253 62.100 -0.005 0.000 1.018 30 T CB -1.025 67.840 68.868 -0.005 0.000 0.981 30 T HN 0.282 nan 8.240 nan 0.000 0.555 31 L N 2.176 123.396 121.223 -0.005 0.000 2.313 31 L HA 0.588 4.928 4.340 -0.000 0.000 0.282 31 L C 0.980 177.848 176.870 -0.003 0.000 1.092 31 L CA 1.481 56.318 54.840 -0.004 0.000 0.831 31 L CB -0.263 41.792 42.059 -0.006 0.000 1.159 31 L HN 0.645 nan 8.230 nan 0.000 0.442 32 G N 5.037 113.837 108.800 -0.000 0.000 2.542 32 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.235 32 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.235 32 G C -1.983 172.919 174.900 0.003 0.000 1.286 32 G CA -0.080 45.022 45.100 0.003 0.000 0.904 32 G HN 0.601 nan 8.290 nan 0.000 0.577 33 P HA 0.198 nan 4.420 nan 0.000 0.220 33 P C 0.931 178.234 177.300 0.004 0.000 1.154 33 P CA 0.872 63.974 63.100 0.004 0.000 0.837 33 P CB 0.190 31.893 31.700 0.005 0.000 0.815 34 K N 1.087 121.491 120.400 0.007 0.000 2.596 34 K HA 0.268 4.588 4.320 -0.000 0.000 0.211 34 K C 1.000 177.601 176.600 0.002 0.000 1.046 34 K CA -0.141 56.150 56.287 0.006 0.000 1.202 34 K CB -0.493 32.014 32.500 0.011 0.000 0.925 34 K HN 0.113 nan 8.250 nan 0.000 0.486 35 G N 1.399 110.199 108.800 0.000 0.000 2.483 35 G HA2 0.153 4.113 3.960 -0.000 0.000 0.248 35 G HA3 0.153 4.113 3.960 -0.000 0.000 0.248 35 G C 0.217 175.115 174.900 -0.002 0.000 1.248 35 G CA -0.455 44.644 45.100 -0.002 0.000 0.838 35 G HN 0.070 nan 8.290 nan 0.000 0.566 36 R N 0.902 121.400 120.500 -0.003 0.000 2.541 36 R HA 0.297 4.637 4.340 -0.000 0.000 0.254 36 R C -0.255 176.043 176.300 -0.003 0.000 1.130 36 R CA -0.932 55.167 56.100 -0.003 0.000 1.152 36 R CB 0.018 30.316 30.300 -0.003 0.000 1.222 36 R HN 0.578 nan 8.270 nan 0.000 0.579 37 N N -1.120 117.579 118.700 -0.003 0.000 2.443 37 N HA 0.400 5.140 4.740 -0.000 0.000 0.295 37 N C -1.157 174.351 175.510 -0.003 0.000 1.076 37 N CA -0.534 52.514 53.050 -0.003 0.000 0.919 37 N CB 1.822 40.308 38.487 -0.002 0.000 1.176 37 N HN 0.084 nan 8.380 nan 0.000 0.487 38 V N 1.859 121.771 119.914 -0.004 0.000 2.495 38 V HA 0.392 4.512 4.120 -0.000 0.000 0.298 38 V C -0.519 175.572 176.094 -0.005 0.000 1.031 38 V CA -0.823 61.474 62.300 -0.005 0.000 0.871 38 V CB 1.775 33.594 31.823 -0.006 0.000 0.988 38 V HN 0.372 nan 8.190 nan 0.000 0.432 39 V N 6.230 126.141 119.914 -0.005 0.000 2.383 39 V HA 0.437 4.557 4.120 -0.000 0.000 0.275 39 V C -0.092 175.997 176.094 -0.007 0.000 1.036 39 V CA -0.470 61.827 62.300 -0.005 0.000 0.889 39 V CB 1.243 33.063 31.823 -0.004 0.000 0.985 39 V HN 0.624 nan 8.190 nan 0.000 0.459 40 L N 3.603 124.822 121.223 -0.008 0.000 2.321 40 L HA 0.405 4.745 4.340 -0.000 0.000 0.272 40 L C 0.134 176.996 176.870 -0.013 0.000 1.050 40 L CA -0.489 54.344 54.840 -0.011 0.000 0.893 40 L CB 0.885 42.938 42.059 -0.011 0.000 1.272 40 L HN 0.625 nan 8.230 nan 0.000 0.435 41 D N 3.169 123.559 120.400 -0.016 0.000 2.571 41 D HA -0.026 4.614 4.640 -0.000 0.000 0.231 41 D C -0.030 176.253 176.300 -0.029 0.000 1.133 41 D CA 1.079 55.067 54.000 -0.020 0.000 0.862 41 D CB 0.893 41.679 40.800 -0.024 0.000 1.179 41 D HN 0.337 nan 8.370 nan 0.000 0.474 42 K N 0.989 121.372 120.400 -0.028 0.000 2.258 42 K HA 0.362 4.682 4.320 -0.000 0.000 0.236 42 K C 1.027 177.584 176.600 -0.071 0.000 1.008 42 K CA -0.605 55.658 56.287 -0.040 0.000 0.869 42 K CB 1.248 33.741 32.500 -0.012 0.000 1.171 42 K HN 0.547 nan 8.250 nan 0.000 0.447 43 S N 0.818 116.434 115.700 -0.140 0.000 2.309 43 S HA 0.046 4.516 4.470 -0.000 0.000 0.206 43 S C 0.473 174.958 174.600 -0.191 0.000 1.028 43 S CA 0.483 58.512 58.200 -0.286 0.000 0.972 43 S CB -0.348 62.512 63.200 -0.567 0.000 0.961 43 S HN 0.365 nan 8.310 nan 0.000 0.449 44 F N 3.147 123.096 119.950 -0.002 0.000 2.404 44 F HA 0.703 5.230 4.527 -0.000 0.000 0.358 44 F C 1.248 177.047 175.800 -0.002 0.000 1.120 44 F CA 0.033 58.032 58.000 -0.002 0.000 1.144 44 F CB 0.558 39.556 39.000 -0.002 0.000 1.133 44 F HN 0.819 nan 8.300 nan 0.000 0.495 45 G N 1.332 110.244 108.800 0.187 0.000 2.352 45 G HA2 0.378 4.338 3.960 -0.000 0.000 0.324 45 G HA3 0.378 4.338 3.960 -0.000 0.000 0.324 45 G C -1.466 173.472 174.900 0.063 0.000 1.249 45 G CA -0.584 44.578 45.100 0.102 0.000 1.053 45 G HN 0.911 nan 8.290 nan 0.000 0.492 46 A N 0.495 123.341 122.820 0.043 0.000 2.303 46 A HA 0.874 5.194 4.320 -0.000 0.000 0.317 46 A C -1.645 175.951 177.584 0.019 0.000 1.149 46 A CA -0.764 51.290 52.037 0.027 0.000 0.822 46 A CB 0.185 19.197 19.000 0.021 0.000 1.131 46 A HN 0.678 nan 8.150 nan 0.000 0.493 47 P HA 0.151 nan 4.420 nan 0.000 0.270 47 P C -0.276 177.027 177.300 0.005 0.000 1.221 47 P CA 0.370 63.472 63.100 0.004 0.000 0.788 47 P CB 0.333 32.035 31.700 0.002 0.000 0.904 48 T N 1.831 116.386 114.554 0.001 0.000 2.797 48 T HA 0.547 4.897 4.350 -0.000 0.000 0.279 48 T C 0.083 174.783 174.700 -0.000 0.000 0.991 48 T CA -0.339 61.762 62.100 0.002 0.000 0.979 48 T CB 0.234 69.103 68.868 0.000 0.000 0.943 48 T HN 0.157 nan 8.240 nan 0.000 0.444 49 I N 2.652 123.223 120.570 0.001 0.000 2.362 49 I HA 0.585 4.755 4.170 -0.000 0.000 0.289 49 I C 0.403 176.519 176.117 -0.001 0.000 0.994 49 I CA -0.490 60.810 61.300 -0.000 0.000 1.158 49 I CB 1.775 39.775 38.000 0.001 0.000 1.315 49 I HN 0.519 nan 8.210 nan 0.000 0.451 50 T N 4.189 118.742 114.554 -0.002 0.000 2.762 50 T HA 0.411 4.761 4.350 -0.000 0.000 0.301 50 T C -0.319 174.379 174.700 -0.003 0.000 1.299 50 T CA -0.564 61.535 62.100 -0.003 0.000 1.005 50 T CB 1.814 70.680 68.868 -0.003 0.000 1.377 50 T HN 0.678 nan 8.240 nan 0.000 0.504 51 K N 0.779 121.177 120.400 -0.004 0.000 2.536 51 K HA 0.208 4.528 4.320 -0.000 0.000 0.203 51 K C -0.874 175.723 176.600 -0.005 0.000 1.063 51 K CA -0.251 56.033 56.287 -0.004 0.000 1.063 51 K CB 0.629 33.127 32.500 -0.003 0.000 0.843 51 K HN 0.368 nan 8.250 nan 0.000 0.521 52 D N 0.857 121.253 120.400 -0.006 0.000 2.483 52 D HA 0.092 4.732 4.640 -0.000 0.000 0.220 52 D C 1.316 177.611 176.300 -0.009 0.000 1.173 52 D CA -0.092 53.903 54.000 -0.008 0.000 0.964 52 D CB 0.709 41.503 40.800 -0.009 0.000 1.046 52 D HN 0.271 nan 8.370 nan 0.000 0.517 53 G N 2.098 110.893 108.800 -0.009 0.000 2.581 53 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.223 53 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.223 53 G C 1.445 176.338 174.900 -0.011 0.000 1.094 53 G CA 0.939 46.034 45.100 -0.009 0.000 0.736 53 G HN 0.472 nan 8.290 nan 0.000 0.588 54 V N 0.542 120.448 119.914 -0.013 0.000 2.283 54 V HA -0.134 3.986 4.120 -0.000 0.000 0.243 54 V C 2.995 179.081 176.094 -0.014 0.000 1.039 54 V CA 2.140 64.431 62.300 -0.016 0.000 1.016 54 V CB -0.623 31.188 31.823 -0.019 0.000 0.650 54 V HN 0.368 nan 8.190 nan 0.000 0.449 55 S N -0.080 115.613 115.700 -0.013 0.000 2.399 55 S HA -0.151 4.319 4.470 -0.000 0.000 0.231 55 S C 1.976 176.569 174.600 -0.011 0.000 1.022 55 S CA 1.330 59.523 58.200 -0.011 0.000 0.983 55 S CB -0.171 63.024 63.200 -0.009 0.000 0.803 55 S HN 0.357 nan 8.310 nan 0.000 0.480 56 V N 1.610 121.518 119.914 -0.011 0.000 2.515 56 V HA -0.152 3.968 4.120 -0.000 0.000 0.250 56 V C 2.453 178.540 176.094 -0.011 0.000 1.058 56 V CA 1.489 63.783 62.300 -0.010 0.000 1.064 56 V CB -1.055 30.763 31.823 -0.009 0.000 0.675 56 V HN 0.524 nan 8.190 nan 0.000 0.461 57 A N -0.200 122.613 122.820 -0.012 0.000 1.832 57 A HA -0.195 4.125 4.320 -0.000 0.000 0.214 57 A C 2.333 179.908 177.584 -0.014 0.000 1.200 57 A CA 1.617 53.646 52.037 -0.013 0.000 0.610 57 A CB -0.659 18.332 19.000 -0.014 0.000 0.842 57 A HN 0.379 nan 8.150 nan 0.000 0.444 58 R N -0.279 120.212 120.500 -0.016 0.000 2.208 58 R HA -0.191 4.149 4.340 -0.000 0.000 0.262 58 R C 1.014 177.304 176.300 -0.016 0.000 1.166 58 R CA 1.720 57.810 56.100 -0.017 0.000 0.987 58 R CB -0.324 29.966 30.300 -0.017 0.000 0.887 58 R HN 0.512 nan 8.270 nan 0.000 0.459 59 E N 0.057 120.248 120.200 -0.015 0.000 2.463 59 E HA 0.057 4.407 4.350 -0.000 0.000 0.191 59 E C 0.173 176.763 176.600 -0.015 0.000 1.083 59 E CA 0.196 56.586 56.400 -0.017 0.000 0.872 59 E CB 0.158 29.848 29.700 -0.017 0.000 0.966 59 E HN 0.228 nan 8.360 nan 0.000 0.491 60 I N 1.027 121.589 120.570 -0.014 0.000 2.437 60 I HA 0.307 4.477 4.170 -0.000 0.000 0.298 60 I C 0.174 176.285 176.117 -0.011 0.000 0.984 60 I CA -0.336 60.957 61.300 -0.011 0.000 1.214 60 I CB 1.447 39.442 38.000 -0.009 0.000 1.365 60 I HN -0.023 nan 8.210 nan 0.000 0.469 61 E N 6.369 126.563 120.200 -0.010 0.000 3.397 61 E HA 0.253 4.603 4.350 -0.000 0.000 0.380 61 E C -1.919 174.675 176.600 -0.010 0.000 0.989 61 E CA -0.409 55.985 56.400 -0.009 0.000 0.783 61 E CB 1.033 30.725 29.700 -0.013 0.000 1.334 61 E HN 0.443 nan 8.360 nan 0.000 0.457 62 L N 2.740 123.960 121.223 -0.006 0.000 2.472 62 L HA 0.411 4.751 4.340 -0.000 0.000 0.256 62 L C 1.668 178.529 176.870 -0.016 0.000 1.111 62 L CA -0.463 54.372 54.840 -0.008 0.000 0.800 62 L CB 0.627 42.686 42.059 0.000 0.000 1.286 62 L HN 0.735 nan 8.230 nan 0.000 0.479 63 E N 0.303 120.492 120.200 -0.020 0.000 2.011 63 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 63 E C 0.448 177.021 176.600 -0.045 0.000 0.980 63 E CA 0.164 56.545 56.400 -0.031 0.000 0.814 63 E CB 0.125 29.807 29.700 -0.030 0.000 0.775 63 E HN 0.688 nan 8.360 nan 0.000 0.454 64 D N 1.313 121.688 120.400 -0.041 0.000 2.433 64 D HA -0.110 4.530 4.640 -0.000 0.000 0.274 64 D C 0.652 176.908 176.300 -0.073 0.000 1.344 64 D CA 0.172 54.133 54.000 -0.065 0.000 0.989 64 D CB 0.535 41.319 40.800 -0.026 0.000 1.116 64 D HN 0.123 nan 8.370 nan 0.000 0.533 65 K N 3.371 123.680 120.400 -0.151 0.000 2.184 65 K HA -0.232 4.088 4.320 -0.000 0.000 0.210 65 K C 1.690 178.288 176.600 -0.003 0.000 1.048 65 K CA 1.343 57.544 56.287 -0.144 0.000 0.931 65 K CB -0.353 31.980 32.500 -0.277 0.000 0.718 65 K HN 0.461 nan 8.250 nan 0.000 0.465 66 F N 1.379 121.315 119.950 -0.022 0.000 2.074 66 F HA -0.021 4.506 4.527 -0.000 0.000 0.290 66 F C 2.484 178.274 175.800 -0.016 0.000 1.118 66 F CA 0.598 58.585 58.000 -0.021 0.000 1.199 66 F CB -1.162 37.822 39.000 -0.026 0.000 1.012 66 F HN 0.085 nan 8.300 nan 0.000 0.472 67 E N 0.273 120.590 120.200 0.195 0.000 2.108 67 E HA -0.361 3.989 4.350 -0.000 0.000 0.203 67 E C 1.885 178.528 176.600 0.072 0.000 1.022 67 E CA 1.908 58.367 56.400 0.099 0.000 0.823 67 E CB -0.689 29.047 29.700 0.060 0.000 0.744 67 E HN 0.417 nan 8.360 nan 0.000 0.456 68 N N 0.512 119.249 118.700 0.061 0.000 2.069 68 N HA -0.189 4.551 4.740 -0.000 0.000 0.191 68 N C 1.920 177.459 175.510 0.049 0.000 1.031 68 N CA 1.565 54.638 53.050 0.039 0.000 0.852 68 N CB -0.060 38.440 38.487 0.021 0.000 1.018 68 N HN 0.086 nan 8.380 nan 0.000 0.423 69 M N -0.378 119.272 119.600 0.083 0.000 2.089 69 M HA -0.149 4.331 4.480 -0.000 0.000 0.257 69 M C 2.196 178.524 176.300 0.047 0.000 1.071 69 M CA 1.922 57.269 55.300 0.078 0.000 1.096 69 M CB -0.850 31.829 32.600 0.132 0.000 1.330 69 M HN 0.428 nan 8.290 nan 0.000 0.403 70 G N -0.229 108.598 108.800 0.045 0.000 2.524 70 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.215 70 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.215 70 G C 1.527 176.437 174.900 0.017 0.000 1.239 70 G CA 1.028 46.141 45.100 0.022 0.000 0.798 70 G HN 0.567 nan 8.290 nan 0.000 0.557 71 A N -0.622 122.209 122.820 0.019 0.000 2.148 71 A HA -0.108 4.212 4.320 -0.000 0.000 0.222 71 A C 2.270 179.858 177.584 0.006 0.000 1.161 71 A CA 1.969 54.013 52.037 0.011 0.000 0.662 71 A CB -0.250 18.757 19.000 0.011 0.000 0.799 71 A HN 0.384 nan 8.150 nan 0.000 0.466 72 Q N -1.421 118.385 119.800 0.010 0.000 2.424 72 Q HA 0.147 4.487 4.340 -0.000 0.000 0.204 72 Q C 1.888 177.887 176.000 -0.002 0.000 0.933 72 Q CA 0.615 56.420 55.803 0.004 0.000 0.929 72 Q CB 0.014 28.757 28.738 0.009 0.000 1.037 72 Q HN 0.827 nan 8.270 nan 0.000 0.511 73 M N -0.777 118.824 119.600 0.001 0.000 2.142 73 M HA -0.081 4.399 4.480 -0.000 0.000 0.256 73 M C 2.214 178.507 176.300 -0.012 0.000 1.098 73 M CA 0.933 56.230 55.300 -0.005 0.000 1.151 73 M CB -0.711 31.889 32.600 0.001 0.000 1.299 73 M HN 0.037 nan 8.290 nan 0.000 0.431 74 V N 1.068 120.978 119.914 -0.006 0.000 2.439 74 V HA -0.324 3.796 4.120 -0.000 0.000 0.253 74 V C 2.185 178.268 176.094 -0.017 0.000 1.074 74 V CA 2.443 64.740 62.300 -0.006 0.000 1.076 74 V CB -0.691 31.133 31.823 0.002 0.000 0.664 74 V HN 0.541 nan 8.190 nan 0.000 0.461 75 K N -0.654 119.736 120.400 -0.017 0.000 2.057 75 K HA -0.206 4.114 4.320 -0.000 0.000 0.207 75 K C 2.327 178.904 176.600 -0.038 0.000 1.049 75 K CA 1.764 58.038 56.287 -0.023 0.000 0.931 75 K CB -0.290 32.200 32.500 -0.016 0.000 0.714 75 K HN 0.558 nan 8.250 nan 0.000 0.440 76 E N 0.462 120.638 120.200 -0.040 0.000 2.208 76 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 76 E C 1.859 178.400 176.600 -0.098 0.000 0.988 76 E CA 0.598 56.964 56.400 -0.057 0.000 0.828 76 E CB 0.155 29.830 29.700 -0.042 0.000 0.763 76 E HN 0.185 nan 8.360 nan 0.000 0.478 77 V N 0.448 120.301 119.914 -0.101 0.000 2.379 77 V HA -0.085 4.035 4.120 -0.000 0.000 0.243 77 V C 2.279 178.228 176.094 -0.241 0.000 1.035 77 V CA 1.589 63.780 62.300 -0.181 0.000 1.035 77 V CB -0.257 31.505 31.823 -0.102 0.000 0.673 77 V HN 0.283 nan 8.190 nan 0.000 0.457 78 A N 0.565 123.316 122.820 -0.114 0.000 1.917 78 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 78 A C 2.522 180.042 177.584 -0.106 0.000 1.182 78 A CA 2.702 54.696 52.037 -0.073 0.000 0.633 78 A CB -1.159 17.826 19.000 -0.026 0.000 0.819 78 A HN 0.908 nan 8.150 nan 0.000 0.448 79 S N -0.180 115.454 115.700 -0.109 0.000 2.440 79 S HA -0.235 4.235 4.470 -0.000 0.000 0.240 79 S C 1.697 176.217 174.600 -0.134 0.000 1.014 79 S CA 1.732 59.875 58.200 -0.096 0.000 0.980 79 S CB -0.423 62.729 63.200 -0.080 0.000 0.775 79 S HN 0.660 nan 8.310 nan 0.000 0.499 80 K N 1.130 121.370 120.400 -0.266 0.000 2.155 80 K HA 0.208 4.528 4.320 -0.000 0.000 0.203 80 K C 2.588 179.096 176.600 -0.155 0.000 1.052 80 K CA 0.872 56.944 56.287 -0.358 0.000 0.948 80 K CB -0.472 31.501 32.500 -0.879 0.000 0.728 80 K HN 0.484 nan 8.250 nan 0.000 0.448 81 A N 1.872 124.658 122.820 -0.056 0.000 1.883 81 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 81 A C 1.925 179.564 177.584 0.091 0.000 1.186 81 A CA 2.076 54.227 52.037 0.190 0.000 0.624 81 A CB -0.783 18.327 19.000 0.183 0.000 0.822 81 A HN 0.301 nan 8.150 nan 0.000 0.444 82 N N 0.031 118.744 118.700 0.022 0.000 2.104 82 N HA -0.158 4.582 4.740 -0.000 0.000 0.190 82 N C 1.238 176.746 175.510 -0.003 0.000 1.024 82 N CA 1.695 54.742 53.050 -0.005 0.000 0.853 82 N CB -0.214 38.255 38.487 -0.031 0.000 1.008 82 N HN 0.425 nan 8.380 nan 0.000 0.424 83 D N -0.475 119.924 120.400 -0.001 0.000 2.182 83 D HA -0.122 4.518 4.640 -0.000 0.000 0.201 83 D C 1.554 177.883 176.300 0.049 0.000 0.986 83 D CA 1.201 55.205 54.000 0.008 0.000 0.847 83 D CB -0.175 40.617 40.800 -0.014 0.000 0.942 83 D HN 0.436 nan 8.370 nan 0.000 0.467 84 A N 0.885 123.755 122.820 0.083 0.000 1.859 84 A HA 0.313 4.633 4.320 -0.000 0.000 0.212 84 A C 2.145 179.784 177.584 0.091 0.000 1.238 84 A CA 1.358 53.455 52.037 0.101 0.000 0.613 84 A CB -0.758 18.331 19.000 0.148 0.000 0.904 84 A HN 0.200 nan 8.150 nan 0.000 0.457 85 A N -1.703 121.168 122.820 0.086 0.000 1.833 85 A HA 0.395 4.715 4.320 -0.000 0.000 0.215 85 A C 1.838 179.468 177.584 0.077 0.000 1.275 85 A CA 2.229 54.311 52.037 0.074 0.000 0.602 85 A CB -0.882 18.153 19.000 0.059 0.000 0.929 85 A HN 1.678 nan 8.150 nan 0.000 0.462 86 G N -2.279 106.535 108.800 0.022 0.000 4.362 86 G HA2 0.316 4.276 3.960 -0.000 0.000 0.220 86 G HA3 0.316 4.276 3.960 -0.000 0.000 0.220 86 G C -0.368 174.495 174.900 -0.061 0.000 0.795 86 G CA 0.733 45.797 45.100 -0.060 0.000 0.920 86 G HN 0.794 nan 8.290 nan 0.000 0.715 87 D N -2.836 117.555 120.400 -0.016 0.000 2.970 87 D HA 0.516 5.156 4.640 -0.000 0.000 0.344 87 D C 1.212 177.520 176.300 0.013 0.000 1.365 87 D CA 1.143 55.137 54.000 -0.010 0.000 0.910 87 D CB 0.234 41.031 40.800 -0.005 0.000 1.445 87 D HN 1.211 nan 8.370 nan 0.000 0.532 88 G N -1.041 107.768 108.800 0.014 0.000 2.308 88 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.221 88 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.221 88 G C 1.382 176.298 174.900 0.027 0.000 1.032 88 G CA 1.214 46.330 45.100 0.027 0.000 0.623 88 G HN 1.261 nan 8.290 nan 0.000 0.506 89 T N -0.778 113.786 114.554 0.018 0.000 2.680 89 T HA -0.221 4.129 4.350 -0.000 0.000 0.268 89 T C 2.221 176.925 174.700 0.006 0.000 1.033 89 T CA 3.119 65.224 62.100 0.008 0.000 1.152 89 T CB -1.146 67.716 68.868 -0.009 0.000 0.859 89 T HN 0.651 nan 8.240 nan 0.000 0.452 90 T N 1.473 116.029 114.554 0.003 0.000 2.867 90 T HA -0.060 4.290 4.350 -0.000 0.000 0.268 90 T C 2.229 176.933 174.700 0.006 0.000 1.057 90 T CA 1.757 63.858 62.100 0.002 0.000 1.136 90 T CB -0.793 68.075 68.868 -0.001 0.000 0.874 90 T HN 0.642 nan 8.240 nan 0.000 0.466 91 T N 2.110 116.671 114.554 0.012 0.000 2.732 91 T HA 0.094 4.444 4.350 -0.000 0.000 0.261 91 T C 2.503 177.216 174.700 0.022 0.000 1.040 91 T CA 0.921 63.030 62.100 0.015 0.000 1.145 91 T CB -0.714 68.165 68.868 0.018 0.000 0.866 91 T HN 0.401 nan 8.240 nan 0.000 0.427 92 A N 2.048 124.888 122.820 0.034 0.000 1.869 92 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 92 A C 2.563 180.166 177.584 0.031 0.000 1.203 92 A CA 2.633 54.698 52.037 0.047 0.000 0.638 92 A CB -1.694 17.346 19.000 0.066 0.000 0.831 92 A HN 0.484 nan 8.150 nan 0.000 0.450 93 T N -0.828 113.738 114.554 0.019 0.000 2.685 93 T HA -0.190 4.160 4.350 -0.000 0.000 0.268 93 T C 1.815 176.521 174.700 0.010 0.000 1.034 93 T CA 1.817 63.923 62.100 0.011 0.000 1.149 93 T CB -0.680 68.190 68.868 0.003 0.000 0.860 93 T HN 0.417 nan 8.240 nan 0.000 0.449 94 V N 0.438 120.357 119.914 0.009 0.000 2.809 94 V HA 0.053 4.173 4.120 -0.000 0.000 0.256 94 V C 2.022 178.120 176.094 0.007 0.000 1.080 94 V CA 1.147 63.450 62.300 0.005 0.000 1.102 94 V CB -0.474 31.350 31.823 0.002 0.000 0.705 94 V HN 0.474 nan 8.190 nan 0.000 0.475 95 L N 0.055 121.285 121.223 0.013 0.000 2.007 95 L HA 0.040 4.380 4.340 -0.000 0.000 0.205 95 L C 2.877 179.756 176.870 0.015 0.000 1.073 95 L CA 1.524 56.372 54.840 0.014 0.000 0.744 95 L CB -0.929 41.143 42.059 0.021 0.000 0.898 95 L HN 0.393 nan 8.230 nan 0.000 0.435 96 A N -0.453 122.379 122.820 0.020 0.000 1.869 96 A HA -0.365 3.955 4.320 -0.000 0.000 0.218 96 A C 2.213 179.805 177.584 0.012 0.000 1.203 96 A CA 2.321 54.370 52.037 0.020 0.000 0.638 96 A CB -0.985 18.028 19.000 0.021 0.000 0.831 96 A HN 0.522 nan 8.150 nan 0.000 0.450 97 Q N -0.754 119.051 119.800 0.009 0.000 2.082 97 Q HA -0.303 4.037 4.340 -0.000 0.000 0.211 97 Q C 2.292 178.295 176.000 0.005 0.000 1.002 97 Q CA 2.474 58.280 55.803 0.006 0.000 0.868 97 Q CB -0.430 28.311 28.738 0.004 0.000 0.931 97 Q HN 0.657 nan 8.270 nan 0.000 0.414 98 A N 0.546 123.369 122.820 0.005 0.000 1.908 98 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 98 A C 2.000 179.586 177.584 0.004 0.000 1.181 98 A CA 1.728 53.767 52.037 0.003 0.000 0.627 98 A CB -0.712 18.289 19.000 0.003 0.000 0.818 98 A HN 0.485 nan 8.150 nan 0.000 0.445 99 I N -0.345 120.229 120.570 0.007 0.000 2.133 99 I HA -0.236 3.934 4.170 -0.000 0.000 0.238 99 I C 2.324 178.444 176.117 0.005 0.000 1.074 99 I CA 1.430 62.734 61.300 0.007 0.000 1.342 99 I CB -0.545 37.461 38.000 0.010 0.000 1.053 99 I HN 0.263 nan 8.210 nan 0.000 0.404 100 I N 0.863 121.437 120.570 0.006 0.000 2.194 100 I HA -0.306 3.864 4.170 -0.000 0.000 0.246 100 I C 2.579 178.698 176.117 0.003 0.000 1.093 100 I CA 1.802 63.105 61.300 0.005 0.000 1.355 100 I CB -0.913 37.090 38.000 0.005 0.000 1.046 100 I HN 0.321 nan 8.210 nan 0.000 0.413 101 T N -0.121 114.435 114.554 0.003 0.000 2.788 101 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 101 T C 1.780 176.481 174.700 0.002 0.000 1.044 101 T CA 1.196 63.298 62.100 0.002 0.000 1.139 101 T CB -0.129 68.740 68.868 0.002 0.000 0.867 101 T HN 0.304 nan 8.240 nan 0.000 0.454 102 E N 0.327 120.528 120.200 0.002 0.000 2.340 102 E HA 0.144 4.494 4.350 -0.000 0.000 0.194 102 E C 2.402 179.003 176.600 0.001 0.000 0.996 102 E CA 0.410 56.811 56.400 0.001 0.000 0.869 102 E CB -0.409 29.292 29.700 0.001 0.000 0.835 102 E HN 0.530 nan 8.360 nan 0.000 0.493 103 G N 1.712 110.514 108.800 0.002 0.000 2.464 103 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.214 103 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.214 103 G C 1.625 176.526 174.900 0.001 0.000 1.218 103 G CA 0.418 45.519 45.100 0.002 0.000 0.794 103 G HN 0.182 nan 8.290 nan 0.000 0.542 104 L N 0.331 121.554 121.223 0.001 0.000 2.261 104 L HA -0.063 4.277 4.340 -0.000 0.000 0.216 104 L C 2.719 179.589 176.870 0.000 0.000 1.114 104 L CA 1.221 56.061 54.840 -0.000 0.000 0.777 104 L CB -0.353 41.705 42.059 -0.001 0.000 0.910 104 L HN 0.246 nan 8.230 nan 0.000 0.440 105 K N 0.251 120.651 120.400 0.001 0.000 2.288 105 K HA -0.075 4.245 4.320 -0.000 0.000 0.201 105 K C 2.063 178.663 176.600 0.001 0.000 1.048 105 K CA 0.913 57.200 56.287 0.001 0.000 0.956 105 K CB 0.123 32.624 32.500 0.001 0.000 0.746 105 K HN 0.299 nan 8.250 nan 0.000 0.461 106 A N 0.142 122.962 122.820 0.001 0.000 1.862 106 A HA -0.007 4.313 4.320 -0.000 0.000 0.211 106 A C 2.084 179.668 177.584 -0.000 0.000 1.220 106 A CA 0.678 52.716 52.037 0.000 0.000 0.616 106 A CB -0.589 18.411 19.000 0.000 0.000 0.878 106 A HN 0.062 nan 8.150 nan 0.000 0.453 107 V N 0.528 120.442 119.914 -0.000 0.000 2.233 107 V HA -0.358 3.762 4.120 -0.000 0.000 0.252 107 V C 2.956 179.050 176.094 -0.000 0.000 1.063 107 V CA 2.357 64.656 62.300 -0.001 0.000 1.032 107 V CB -1.288 30.535 31.823 -0.001 0.000 0.645 107 V HN 0.602 nan 8.190 nan 0.000 0.446 108 A N -0.690 122.131 122.820 0.000 0.000 2.225 108 A HA 0.116 4.436 4.320 -0.000 0.000 0.215 108 A C 2.115 179.700 177.584 0.001 0.000 1.164 108 A CA 1.543 53.581 52.037 0.002 0.000 0.710 108 A CB -0.520 18.481 19.000 0.002 0.000 0.780 108 A HN 0.653 nan 8.150 nan 0.000 0.473 109 A N -2.134 120.687 122.820 0.001 0.000 2.238 109 A HA 0.450 4.770 4.320 -0.000 0.000 0.210 109 A C 1.609 179.193 177.584 0.000 0.000 1.179 109 A CA 1.171 53.208 52.037 0.001 0.000 0.827 109 A CB -0.322 18.679 19.000 0.001 0.000 0.856 109 A HN 1.669 nan 8.150 nan 0.000 0.488 110 G N -1.933 106.866 108.800 -0.000 0.000 2.205 110 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.180 110 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.180 110 G C 0.084 174.982 174.900 -0.002 0.000 1.004 110 G CA 0.031 45.131 45.100 -0.001 0.000 0.670 110 G HN 0.283 nan 8.290 nan 0.000 0.496 111 M N 0.794 120.392 119.600 -0.002 0.000 2.359 111 M HA 0.366 4.846 4.480 -0.000 0.000 0.322 111 M C 0.544 176.842 176.300 -0.003 0.000 1.166 111 M CA -0.773 54.525 55.300 -0.002 0.000 1.067 111 M CB 0.783 33.382 32.600 -0.002 0.000 1.523 111 M HN 0.150 nan 8.290 nan 0.000 0.467 112 N N 1.697 120.394 118.700 -0.004 0.000 2.475 112 N HA 0.122 4.862 4.740 -0.000 0.000 0.267 112 N C -2.283 173.225 175.510 -0.004 0.000 1.169 112 N CA -1.262 51.785 53.050 -0.005 0.000 0.947 112 N CB 1.331 39.815 38.487 -0.005 0.000 1.061 112 N HN 0.249 nan 8.380 nan 0.000 0.466 113 P HA -0.062 nan 4.420 nan 0.000 0.213 113 P C 1.771 179.069 177.300 -0.003 0.000 1.170 113 P CA 1.211 64.308 63.100 -0.004 0.000 0.893 113 P CB 0.168 31.865 31.700 -0.005 0.000 0.784 114 M N -0.548 119.049 119.600 -0.005 0.000 2.260 114 M HA -0.172 4.308 4.480 -0.000 0.000 0.261 114 M C 1.184 177.482 176.300 -0.003 0.000 1.066 114 M CA 1.682 56.980 55.300 -0.004 0.000 1.082 114 M CB -1.502 31.094 32.600 -0.006 0.000 1.388 114 M HN 0.016 nan 8.290 nan 0.000 0.419 115 D N -0.156 120.242 120.400 -0.003 0.000 2.144 115 D HA 0.028 4.668 4.640 -0.000 0.000 0.207 115 D C 2.242 178.541 176.300 -0.001 0.000 0.970 115 D CA 0.691 54.689 54.000 -0.002 0.000 0.853 115 D CB -0.192 40.606 40.800 -0.003 0.000 1.007 115 D HN 0.303 nan 8.370 nan 0.000 0.469 116 L N 1.056 122.279 121.223 -0.001 0.000 2.089 116 L HA -0.229 4.111 4.340 -0.000 0.000 0.213 116 L C 2.481 179.352 176.870 0.001 0.000 1.079 116 L CA 1.257 56.097 54.840 -0.000 0.000 0.758 116 L CB -0.377 41.681 42.059 -0.000 0.000 0.891 116 L HN 0.043 nan 8.230 nan 0.000 0.433 117 K N 0.292 120.692 120.400 0.001 0.000 2.097 117 K HA -0.210 4.110 4.320 -0.000 0.000 0.205 117 K C 2.310 178.911 176.600 0.001 0.000 1.050 117 K CA 1.193 57.481 56.287 0.002 0.000 0.938 117 K CB 0.044 32.546 32.500 0.002 0.000 0.718 117 K HN 0.121 nan 8.250 nan 0.000 0.442 118 R N -0.209 120.291 120.500 0.000 0.000 2.057 118 R HA -0.054 4.286 4.340 -0.000 0.000 0.229 118 R C 2.377 178.677 176.300 -0.001 0.000 1.136 118 R CA 1.592 57.691 56.100 -0.000 0.000 0.952 118 R CB -0.668 29.632 30.300 -0.001 0.000 0.848 118 R HN 0.387 nan 8.270 nan 0.000 0.430 119 G N 1.178 109.978 108.800 -0.001 0.000 2.505 119 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.220 119 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.220 119 G C 1.440 176.340 174.900 -0.000 0.000 1.145 119 G CA 1.267 46.367 45.100 -0.001 0.000 0.761 119 G HN 0.295 nan 8.290 nan 0.000 0.571 120 I N 0.637 121.208 120.570 0.001 0.000 2.179 120 I HA -0.126 4.044 4.170 -0.000 0.000 0.242 120 I C 2.238 178.355 176.117 -0.000 0.000 1.088 120 I CA 1.319 62.620 61.300 0.001 0.000 1.357 120 I CB -0.190 37.812 38.000 0.003 0.000 1.051 120 I HN 0.089 nan 8.210 nan 0.000 0.409 121 D N 0.545 120.945 120.400 -0.000 0.000 2.264 121 D HA -0.181 4.459 4.640 -0.000 0.000 0.208 121 D C 2.002 178.299 176.300 -0.005 0.000 0.966 121 D CA 0.985 54.983 54.000 -0.003 0.000 0.864 121 D CB 0.001 40.800 40.800 -0.002 0.000 0.933 121 D HN 0.344 nan 8.370 nan 0.000 0.499 122 K N 0.852 121.250 120.400 -0.003 0.000 1.995 122 K HA -0.026 4.294 4.320 -0.000 0.000 0.207 122 K C 2.135 178.732 176.600 -0.004 0.000 1.041 122 K CA 0.950 57.234 56.287 -0.004 0.000 0.942 122 K CB -0.045 32.453 32.500 -0.003 0.000 0.731 122 K HN -0.072 nan 8.250 nan 0.000 0.439 123 A N 0.858 123.677 122.820 -0.003 0.000 2.009 123 A HA -0.186 4.134 4.320 -0.000 0.000 0.222 123 A C 2.191 179.772 177.584 -0.004 0.000 1.175 123 A CA 2.015 54.050 52.037 -0.002 0.000 0.651 123 A CB -0.763 18.236 19.000 -0.001 0.000 0.815 123 A HN 0.225 nan 8.150 nan 0.000 0.459 124 V N -0.871 119.040 119.914 -0.006 0.000 2.256 124 V HA -0.178 3.942 4.120 -0.000 0.000 0.240 124 V C 2.652 178.738 176.094 -0.013 0.000 1.036 124 V CA 2.308 64.602 62.300 -0.010 0.000 1.008 124 V CB -1.274 30.542 31.823 -0.013 0.000 0.648 124 V HN 0.600 nan 8.190 nan 0.000 0.453 125 T N 0.662 115.208 114.554 -0.014 0.000 2.792 125 T HA -0.256 4.094 4.350 -0.000 0.000 0.268 125 T C 1.817 176.510 174.700 -0.011 0.000 1.059 125 T CA 1.685 63.776 62.100 -0.015 0.000 1.136 125 T CB -0.404 68.457 68.868 -0.012 0.000 0.846 125 T HN 0.567 nan 8.240 nan 0.000 0.489 126 A N 1.340 124.155 122.820 -0.008 0.000 1.850 126 A HA 0.455 4.775 4.320 -0.000 0.000 0.212 126 A C 2.696 180.277 177.584 -0.005 0.000 1.208 126 A CA 1.208 53.242 52.037 -0.005 0.000 0.609 126 A CB -1.209 17.790 19.000 -0.003 0.000 0.860 126 A HN 0.478 nan 8.150 nan 0.000 0.448 127 A N -0.324 122.493 122.820 -0.005 0.000 2.024 127 A HA -0.021 4.299 4.320 -0.000 0.000 0.220 127 A C 2.092 179.673 177.584 -0.006 0.000 1.164 127 A CA 1.797 53.832 52.037 -0.003 0.000 0.643 127 A CB -0.886 18.113 19.000 -0.003 0.000 0.806 127 A HN 0.427 nan 8.150 nan 0.000 0.451 128 V N -0.295 119.612 119.914 -0.012 0.000 2.594 128 V HA -0.241 3.879 4.120 -0.000 0.000 0.253 128 V C 2.270 178.357 176.094 -0.012 0.000 1.069 128 V CA 2.242 64.532 62.300 -0.016 0.000 1.082 128 V CB -0.708 31.100 31.823 -0.026 0.000 0.680 128 V HN 0.661 nan 8.190 nan 0.000 0.469 129 E N -0.250 119.945 120.200 -0.008 0.000 2.075 129 E HA -0.141 4.209 4.350 -0.000 0.000 0.190 129 E C 2.176 178.775 176.600 -0.001 0.000 0.969 129 E CA 0.582 56.979 56.400 -0.005 0.000 0.815 129 E CB -0.099 29.599 29.700 -0.004 0.000 0.776 129 E HN 0.430 nan 8.360 nan 0.000 0.457 130 E N 0.995 121.195 120.200 0.000 0.000 2.273 130 E HA -0.200 4.150 4.350 -0.000 0.000 0.198 130 E C 1.718 178.321 176.600 0.005 0.000 1.002 130 E CA 0.579 56.981 56.400 0.004 0.000 0.828 130 E CB -0.039 29.663 29.700 0.004 0.000 0.747 130 E HN 0.124 nan 8.360 nan 0.000 0.491 131 L N 0.238 121.462 121.223 0.003 0.000 2.162 131 L HA 0.017 4.357 4.340 -0.000 0.000 0.205 131 L C 1.686 178.558 176.870 0.004 0.000 1.086 131 L CA 1.325 56.167 54.840 0.004 0.000 0.778 131 L CB -0.023 42.036 42.059 0.000 0.000 0.928 131 L HN -0.075 nan 8.230 nan 0.000 0.446 132 K N -0.412 119.989 120.400 0.001 0.000 2.574 132 K HA -0.029 4.291 4.320 -0.000 0.000 0.193 132 K C 1.767 178.370 176.600 0.004 0.000 1.035 132 K CA 0.575 56.863 56.287 0.002 0.000 0.982 132 K CB -0.061 32.438 32.500 -0.001 0.000 0.795 132 K HN 0.444 nan 8.250 nan 0.000 0.491 133 A N 1.424 124.247 122.820 0.006 0.000 1.835 133 A HA -0.068 4.252 4.320 -0.000 0.000 0.213 133 A C 1.988 179.578 177.584 0.011 0.000 1.210 133 A CA 0.691 52.732 52.037 0.008 0.000 0.605 133 A CB -0.467 18.538 19.000 0.009 0.000 0.860 133 A HN 0.107 nan 8.150 nan 0.000 0.447 134 L N 0.443 121.674 121.223 0.013 0.000 2.081 134 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 134 L C 1.548 178.428 176.870 0.015 0.000 1.080 134 L CA 1.192 56.043 54.840 0.017 0.000 0.754 134 L CB -1.260 40.811 42.059 0.020 0.000 0.893 134 L HN 0.430 nan 8.230 nan 0.000 0.433 135 S N 0.413 116.120 115.700 0.012 0.000 3.074 135 S HA -0.014 4.456 4.470 -0.000 0.000 0.359 135 S C -0.132 174.475 174.600 0.011 0.000 1.207 135 S CA -0.266 57.941 58.200 0.011 0.000 1.061 135 S CB -0.112 63.093 63.200 0.008 0.000 0.769 135 S HN 0.079 nan 8.310 nan 0.000 0.512 136 V N 9.744 129.665 119.914 0.012 0.000 2.328 136 V HA 0.322 4.442 4.120 -0.000 0.000 0.278 136 V C -1.687 174.413 176.094 0.010 0.000 1.021 136 V CA -1.752 60.555 62.300 0.012 0.000 0.838 136 V CB 0.894 32.725 31.823 0.014 0.000 0.999 136 V HN 0.763 nan 8.190 nan 0.000 0.447 137 P HA -0.119 nan 4.420 nan 0.000 0.275 137 P C -0.157 177.148 177.300 0.008 0.000 1.227 137 P CA 0.169 63.273 63.100 0.007 0.000 0.808 137 P CB 0.314 32.018 31.700 0.006 0.000 0.858 138 C N 0.930 120.233 119.300 0.006 0.000 3.079 138 C HA 0.304 4.764 4.460 -0.000 0.000 0.246 138 C C 1.170 176.162 174.990 0.004 0.000 1.025 138 C CA 0.031 59.052 59.018 0.006 0.000 1.081 138 C CB -1.359 26.385 27.740 0.007 0.000 1.757 138 C HN 0.547 nan 8.230 nan 0.000 0.646 139 S N 0.606 116.308 115.700 0.003 0.000 2.527 139 S HA 0.088 4.558 4.470 -0.000 0.000 0.227 139 S C 0.354 174.955 174.600 0.001 0.000 1.059 139 S CA 0.165 58.366 58.200 0.002 0.000 0.919 139 S CB 0.051 63.252 63.200 0.002 0.000 0.805 139 S HN 0.921 nan 8.310 nan 0.000 0.500 140 D N 2.303 122.704 120.400 0.002 0.000 2.348 140 D HA 0.088 4.728 4.640 -0.000 0.000 0.253 140 D C 0.682 176.983 176.300 0.001 0.000 1.161 140 D CA -0.001 54.000 54.000 0.002 0.000 0.876 140 D CB 1.132 41.934 40.800 0.002 0.000 1.160 140 D HN 0.159 nan 8.370 nan 0.000 0.459 141 S N 1.665 117.365 115.700 0.000 0.000 2.559 141 S HA -0.244 4.226 4.470 -0.000 0.000 0.250 141 S C 1.358 175.958 174.600 0.001 0.000 0.977 141 S CA 0.724 58.924 58.200 0.000 0.000 0.958 141 S CB -0.301 62.898 63.200 -0.001 0.000 0.751 141 S HN 0.662 nan 8.310 nan 0.000 0.534 142 K N 1.348 121.749 120.400 0.002 0.000 2.141 142 K HA 0.253 4.573 4.320 -0.000 0.000 0.202 142 K C 2.233 178.835 176.600 0.003 0.000 1.045 142 K CA 0.746 57.035 56.287 0.002 0.000 0.971 142 K CB -0.423 32.079 32.500 0.003 0.000 0.795 142 K HN 0.354 nan 8.250 nan 0.000 0.459 143 A N 1.338 124.160 122.820 0.004 0.000 2.014 143 A HA -0.002 4.318 4.320 -0.000 0.000 0.218 143 A C 1.977 179.564 177.584 0.005 0.000 1.163 143 A CA 0.731 52.771 52.037 0.005 0.000 0.652 143 A CB -0.425 18.578 19.000 0.006 0.000 0.808 143 A HN 0.319 nan 8.150 nan 0.000 0.449 144 I N -0.304 120.268 120.570 0.004 0.000 2.286 144 I HA -0.292 3.878 4.170 -0.000 0.000 0.248 144 I C 2.961 179.080 176.117 0.004 0.000 1.115 144 I CA 0.990 62.292 61.300 0.004 0.000 1.392 144 I CB -0.283 37.718 38.000 0.001 0.000 1.065 144 I HN 0.390 nan 8.210 nan 0.000 0.418 145 A N 0.380 123.202 122.820 0.004 0.000 1.858 145 A HA -0.278 4.042 4.320 -0.000 0.000 0.216 145 A C 2.203 179.790 177.584 0.005 0.000 1.190 145 A CA 1.638 53.678 52.037 0.004 0.000 0.617 145 A CB -0.738 18.264 19.000 0.003 0.000 0.827 145 A HN 0.466 nan 8.150 nan 0.000 0.443 146 Q N -0.516 119.288 119.800 0.006 0.000 2.152 146 Q HA -0.155 4.185 4.340 -0.000 0.000 0.206 146 Q C 2.123 178.128 176.000 0.008 0.000 0.985 146 Q CA 1.698 57.505 55.803 0.007 0.000 0.863 146 Q CB -0.487 28.255 28.738 0.007 0.000 0.904 146 Q HN 0.515 nan 8.270 nan 0.000 0.422 147 V N 0.312 120.232 119.914 0.009 0.000 2.229 147 V HA -0.183 3.937 4.120 -0.000 0.000 0.243 147 V C 2.293 178.394 176.094 0.012 0.000 1.042 147 V CA 2.062 64.369 62.300 0.011 0.000 1.000 147 V CB -1.268 30.562 31.823 0.012 0.000 0.637 147 V HN 0.551 nan 8.190 nan 0.000 0.446 148 G N -0.697 108.110 108.800 0.012 0.000 2.507 148 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.221 148 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.221 148 G C 1.651 176.558 174.900 0.011 0.000 1.119 148 G CA 1.767 46.875 45.100 0.013 0.000 0.751 148 G HN 0.483 nan 8.290 nan 0.000 0.574 149 T N 1.003 115.562 114.554 0.009 0.000 2.821 149 T HA 0.009 4.359 4.350 -0.000 0.000 0.267 149 T C 2.304 177.008 174.700 0.008 0.000 1.046 149 T CA 0.861 62.965 62.100 0.007 0.000 1.139 149 T CB -0.097 68.775 68.868 0.006 0.000 0.871 149 T HN 0.323 nan 8.240 nan 0.000 0.454 150 I N 0.689 121.265 120.570 0.009 0.000 2.876 150 I HA -0.002 4.168 4.170 -0.000 0.000 0.264 150 I C 2.138 178.261 176.117 0.010 0.000 1.204 150 I CA 0.546 61.851 61.300 0.008 0.000 1.485 150 I CB -0.096 37.909 38.000 0.008 0.000 1.103 150 I HN 0.110 nan 8.210 nan 0.000 0.446 151 S N 0.818 116.526 115.700 0.013 0.000 2.527 151 S HA 0.146 4.616 4.470 -0.000 0.000 0.222 151 S C 1.667 176.276 174.600 0.015 0.000 0.985 151 S CA 0.734 58.944 58.200 0.016 0.000 0.921 151 S CB 0.138 63.352 63.200 0.024 0.000 0.772 151 S HN 0.482 nan 8.310 nan 0.000 0.529 152 A N 1.336 124.163 122.820 0.012 0.000 2.500 152 A HA 0.446 4.766 4.320 -0.000 0.000 0.267 152 A C 0.566 178.154 177.584 0.007 0.000 1.290 152 A CA -0.368 51.676 52.037 0.010 0.000 0.928 152 A CB -0.404 18.602 19.000 0.010 0.000 1.066 152 A HN 0.367 nan 8.150 nan 0.000 0.516 153 N N -0.241 118.463 118.700 0.006 0.000 2.746 153 N HA -0.210 4.530 4.740 -0.000 0.000 0.250 153 N C 0.211 175.722 175.510 0.003 0.000 1.055 153 N CA 1.053 54.105 53.050 0.004 0.000 0.699 153 N CB -1.856 36.633 38.487 0.003 0.000 0.919 153 N HN 0.521 nan 8.380 nan 0.000 0.548 154 S N -1.592 114.110 115.700 0.003 0.000 3.490 154 S HA -0.232 4.238 4.470 -0.000 0.000 0.301 154 S C -0.360 174.241 174.600 0.002 0.000 1.233 154 S CA 0.823 59.025 58.200 0.002 0.000 0.914 154 S CB -1.050 62.150 63.200 0.000 0.000 1.047 154 S HN 0.767 nan 8.310 nan 0.000 0.602 155 D N 1.389 121.791 120.400 0.004 0.000 2.441 155 D HA 0.217 4.857 4.640 -0.000 0.000 0.221 155 D C 1.127 177.429 176.300 0.004 0.000 1.156 155 D CA -0.254 53.748 54.000 0.003 0.000 0.896 155 D CB 0.493 41.295 40.800 0.004 0.000 1.028 155 D HN 0.477 nan 8.370 nan 0.000 0.509 156 E N 1.351 121.553 120.200 0.003 0.000 2.171 156 E HA -0.178 4.172 4.350 -0.000 0.000 0.197 156 E C 1.518 178.120 176.600 0.003 0.000 0.997 156 E CA 1.268 57.669 56.400 0.003 0.000 0.810 156 E CB 0.158 29.859 29.700 0.002 0.000 0.738 156 E HN 0.499 nan 8.360 nan 0.000 0.467 157 T N 1.007 115.563 114.554 0.002 0.000 2.699 157 T HA -0.177 4.173 4.350 -0.000 0.000 0.268 157 T C 2.103 176.805 174.700 0.003 0.000 1.036 157 T CA 1.449 63.550 62.100 0.002 0.000 1.147 157 T CB -0.313 68.556 68.868 0.002 0.000 0.862 157 T HN 0.002 nan 8.240 nan 0.000 0.446 158 V N 1.513 121.429 119.914 0.004 0.000 2.216 158 V HA -0.103 4.017 4.120 -0.000 0.000 0.243 158 V C 2.929 179.026 176.094 0.004 0.000 1.044 158 V CA 2.011 64.314 62.300 0.005 0.000 0.995 158 V CB -1.641 30.186 31.823 0.007 0.000 0.633 158 V HN 0.575 nan 8.190 nan 0.000 0.446 159 G N 0.020 108.822 108.800 0.005 0.000 2.663 159 G HA2 -0.449 3.511 3.960 -0.000 0.000 0.222 159 G HA3 -0.449 3.511 3.960 -0.000 0.000 0.222 159 G C 1.632 176.534 174.900 0.002 0.000 1.146 159 G CA 1.801 46.904 45.100 0.004 0.000 0.764 159 G HN 0.544 nan 8.290 nan 0.000 0.608 160 K N 0.069 120.470 120.400 0.002 0.000 2.002 160 K HA 0.015 4.335 4.320 -0.000 0.000 0.209 160 K C 2.637 179.237 176.600 -0.001 0.000 1.048 160 K CA 1.203 57.490 56.287 0.000 0.000 0.930 160 K CB -0.383 32.117 32.500 0.000 0.000 0.714 160 K HN 0.351 nan 8.250 nan 0.000 0.438 161 L N 1.125 122.348 121.223 -0.000 0.000 2.034 161 L HA -0.292 4.048 4.340 -0.000 0.000 0.217 161 L C 2.503 179.371 176.870 -0.004 0.000 1.077 161 L CA 1.644 56.483 54.840 -0.002 0.000 0.769 161 L CB -0.414 41.645 42.059 -0.001 0.000 0.890 161 L HN 0.332 nan 8.230 nan 0.000 0.435 162 I N -0.801 119.767 120.570 -0.003 0.000 2.090 162 I HA -0.333 3.837 4.170 -0.000 0.000 0.236 162 I C 2.811 178.924 176.117 -0.006 0.000 1.064 162 I CA 1.287 62.584 61.300 -0.005 0.000 1.324 162 I CB -0.664 37.334 38.000 -0.003 0.000 1.044 162 I HN 0.255 nan 8.210 nan 0.000 0.399 163 A N 0.612 123.429 122.820 -0.004 0.000 1.915 163 A HA -0.303 4.017 4.320 -0.000 0.000 0.220 163 A C 2.183 179.765 177.584 -0.005 0.000 1.198 163 A CA 2.303 54.337 52.037 -0.004 0.000 0.647 163 A CB -0.893 18.106 19.000 -0.002 0.000 0.825 163 A HN 0.546 nan 8.150 nan 0.000 0.456 164 E N -0.635 119.562 120.200 -0.004 0.000 2.153 164 E HA -0.104 4.245 4.350 -0.000 0.000 0.194 164 E C 2.314 178.910 176.600 -0.007 0.000 0.988 164 E CA 0.859 57.256 56.400 -0.005 0.000 0.811 164 E CB -0.277 29.421 29.700 -0.004 0.000 0.746 164 E HN 0.674 nan 8.360 nan 0.000 0.466 165 A N 1.286 124.101 122.820 -0.008 0.000 1.854 165 A HA -0.141 4.179 4.320 -0.000 0.000 0.214 165 A C 2.179 179.756 177.584 -0.012 0.000 1.192 165 A CA 1.131 53.161 52.037 -0.011 0.000 0.611 165 A CB -0.408 18.584 19.000 -0.014 0.000 0.832 165 A HN 0.103 nan 8.150 nan 0.000 0.442 166 M N -0.832 118.761 119.600 -0.013 0.000 2.213 166 M HA -0.160 4.320 4.480 -0.000 0.000 0.263 166 M C 1.374 177.668 176.300 -0.010 0.000 1.062 166 M CA 1.731 57.023 55.300 -0.013 0.000 1.105 166 M CB -0.586 32.007 32.600 -0.012 0.000 1.385 166 M HN 0.362 nan 8.290 nan 0.000 0.417 167 D N 0.296 120.691 120.400 -0.008 0.000 2.378 167 D HA -0.060 4.580 4.640 -0.000 0.000 0.227 167 D C 1.799 178.095 176.300 -0.007 0.000 1.012 167 D CA 0.749 54.745 54.000 -0.006 0.000 0.905 167 D CB 0.306 41.103 40.800 -0.005 0.000 0.895 167 D HN 0.039 nan 8.370 nan 0.000 0.532 168 K N -0.680 119.715 120.400 -0.008 0.000 2.399 168 K HA 0.114 4.434 4.320 -0.000 0.000 0.196 168 K C 0.898 177.492 176.600 -0.009 0.000 1.103 168 K CA 0.452 56.734 56.287 -0.008 0.000 0.986 168 K CB 1.499 33.994 32.500 -0.008 0.000 0.952 168 K HN 0.152 nan 8.250 nan 0.000 0.541 169 V N -2.983 116.924 119.914 -0.010 0.000 3.261 169 V HA 0.439 4.559 4.120 -0.000 0.000 0.330 169 V C 0.263 176.351 176.094 -0.011 0.000 1.461 169 V CA -0.195 62.098 62.300 -0.011 0.000 1.127 169 V CB 0.089 31.903 31.823 -0.014 0.000 1.044 169 V HN 0.218 nan 8.190 nan 0.000 0.499 170 G N 2.527 111.321 108.800 -0.010 0.000 2.750 170 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.686 170 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.686 170 G C 0.249 175.142 174.900 -0.012 0.000 1.395 170 G CA -0.014 45.080 45.100 -0.009 0.000 0.918 170 G HN 0.773 nan 8.290 nan 0.000 0.594 171 K N 0.361 120.755 120.400 -0.010 0.000 2.633 171 K HA -0.028 4.292 4.320 -0.000 0.000 0.193 171 K C 0.629 177.220 176.600 -0.014 0.000 1.033 171 K CA 1.381 57.661 56.287 -0.012 0.000 0.980 171 K CB 0.376 32.871 32.500 -0.008 0.000 0.800 171 K HN 0.518 nan 8.250 nan 0.000 0.493 172 E N 1.080 121.272 120.200 -0.013 0.000 2.624 172 E HA 0.123 4.473 4.350 -0.000 0.000 0.210 172 E C 0.420 177.011 176.600 -0.016 0.000 0.997 172 E CA -0.096 56.296 56.400 -0.013 0.000 0.999 172 E CB 1.171 30.865 29.700 -0.009 0.000 1.040 172 E HN 0.413 nan 8.360 nan 0.000 0.469 173 G N 0.408 109.196 108.800 -0.020 0.000 2.613 173 G HA2 0.436 4.396 3.960 -0.000 0.000 0.303 173 G HA3 0.436 4.396 3.960 -0.000 0.000 0.303 173 G C -0.053 174.829 174.900 -0.030 0.000 1.312 173 G CA -0.433 44.655 45.100 -0.021 0.000 1.036 173 G HN -0.036 nan 8.290 nan 0.000 0.513 174 V N 0.016 119.912 119.914 -0.030 0.000 2.509 174 V HA 0.574 4.694 4.120 -0.000 0.000 0.284 174 V C -0.094 175.974 176.094 -0.042 0.000 1.047 174 V CA -0.354 61.922 62.300 -0.040 0.000 0.952 174 V CB 0.928 32.729 31.823 -0.036 0.000 0.988 174 V HN 0.485 nan 8.190 nan 0.000 0.469 175 I N 3.051 123.588 120.570 -0.054 0.000 2.571 175 I HA 0.502 4.673 4.170 -0.000 0.000 0.289 175 I C -0.403 175.682 176.117 -0.053 0.000 1.115 175 I CA -0.149 61.121 61.300 -0.049 0.000 1.045 175 I CB 2.472 40.441 38.000 -0.052 0.000 1.238 175 I HN 0.616 nan 8.210 nan 0.000 0.424 176 T N 4.594 119.125 114.554 -0.039 0.000 2.907 176 T HA 0.598 4.948 4.350 -0.000 0.000 0.292 176 T C -0.477 174.211 174.700 -0.021 0.000 1.043 176 T CA -0.720 61.360 62.100 -0.033 0.000 1.003 176 T CB 2.485 71.334 68.868 -0.032 0.000 1.084 176 T HN 0.381 nan 8.240 nan 0.000 0.483 177 V N 0.122 120.028 119.914 -0.013 0.000 2.378 177 V HA 0.636 4.756 4.120 -0.000 0.000 0.288 177 V C -0.176 175.917 176.094 -0.003 0.000 1.016 177 V CA -0.820 61.477 62.300 -0.005 0.000 0.840 177 V CB 0.967 32.792 31.823 0.003 0.000 0.994 177 V HN 0.863 nan 8.190 nan 0.000 0.431 178 E N 2.569 122.766 120.200 -0.004 0.000 2.961 178 E HA 0.423 4.773 4.350 -0.000 0.000 0.254 178 E C -0.923 175.677 176.600 -0.000 0.000 1.192 178 E CA -0.935 55.463 56.400 -0.003 0.000 1.069 178 E CB 0.814 30.510 29.700 -0.006 0.000 1.338 178 E HN 0.762 nan 8.360 nan 0.000 0.596 179 D N -0.105 120.295 120.400 -0.000 0.000 2.277 179 D HA 0.279 4.919 4.640 -0.000 0.000 0.250 179 D C -0.130 176.169 176.300 -0.000 0.000 1.032 179 D CA -0.217 53.783 54.000 0.001 0.000 0.947 179 D CB 1.471 42.272 40.800 0.002 0.000 1.159 179 D HN 0.440 nan 8.370 nan 0.000 0.460 180 G N -0.893 107.907 108.800 0.001 0.000 2.539 180 G HA2 0.282 4.242 3.960 -0.000 0.000 0.258 180 G HA3 0.282 4.242 3.960 -0.000 0.000 0.258 180 G C 0.841 175.741 174.900 -0.001 0.000 1.202 180 G CA -0.305 44.795 45.100 -0.000 0.000 0.851 180 G HN 0.450 nan 8.290 nan 0.000 0.556 181 T N -2.735 111.818 114.554 -0.001 0.000 3.069 181 T HA 0.469 4.819 4.350 -0.000 0.000 0.252 181 T C 0.976 175.676 174.700 -0.001 0.000 1.053 181 T CA 0.518 62.617 62.100 -0.002 0.000 0.964 181 T CB 0.336 69.203 68.868 -0.003 0.000 1.005 181 T HN 2.010 nan 8.240 nan 0.000 0.532 182 G N 2.006 110.805 108.800 -0.000 0.000 2.421 182 G HA2 0.303 4.263 3.960 -0.000 0.000 0.360 182 G HA3 0.303 4.263 3.960 -0.000 0.000 0.360 182 G C -0.572 174.328 174.900 -0.000 0.000 1.219 182 G CA -0.617 44.483 45.100 -0.000 0.000 1.257 182 G HN 0.625 nan 8.290 nan 0.000 0.609 183 L N -0.011 121.212 121.223 0.000 0.000 0.611 183 L HA -0.185 4.155 4.340 -0.000 0.000 0.356 183 L C 0.475 177.345 176.870 -0.000 0.000 1.007 183 L CA 2.326 57.166 54.840 0.000 0.000 1.222 183 L CB -0.311 41.749 42.059 0.000 0.000 0.016 183 L HN 1.797 nan 8.230 nan 0.000 0.101 184 Q N 1.538 121.337 119.800 -0.000 0.000 2.667 184 Q HA -0.123 4.217 4.340 -0.000 0.000 0.210 184 Q C -0.612 175.387 176.000 -0.001 0.000 1.417 184 Q CA 1.017 56.820 55.803 -0.001 0.000 0.607 184 Q CB -0.586 28.152 28.738 -0.001 0.000 0.739 184 Q HN 0.596 nan 8.270 nan 0.000 0.315 185 D N 3.340 123.739 120.400 -0.001 0.000 2.455 185 D HA 0.036 4.676 4.640 -0.000 0.000 0.241 185 D C 0.313 176.612 176.300 -0.002 0.000 1.138 185 D CA 0.764 54.764 54.000 -0.001 0.000 0.877 185 D CB 0.716 41.516 40.800 -0.001 0.000 1.187 185 D HN 0.308 nan 8.370 nan 0.000 0.451 186 E N 0.292 120.490 120.200 -0.003 0.000 2.221 186 E HA 0.601 4.951 4.350 -0.000 0.000 0.268 186 E C -0.900 175.697 176.600 -0.005 0.000 0.933 186 E CA -0.993 55.405 56.400 -0.004 0.000 0.809 186 E CB 2.273 31.971 29.700 -0.004 0.000 1.190 186 E HN 0.125 nan 8.360 nan 0.000 0.406 187 L N 2.759 123.979 121.223 -0.005 0.000 2.543 187 L HA 0.416 4.756 4.340 -0.000 0.000 0.265 187 L C -2.167 174.699 176.870 -0.007 0.000 0.945 187 L CA -0.244 54.593 54.840 -0.006 0.000 0.869 187 L CB 1.762 43.818 42.059 -0.006 0.000 1.294 187 L HN 0.622 nan 8.230 nan 0.000 0.405 188 D N 3.408 123.803 120.400 -0.008 0.000 2.622 188 D HA 0.448 5.088 4.640 -0.000 0.000 0.255 188 D C -1.394 174.901 176.300 -0.009 0.000 1.246 188 D CA -0.419 53.576 54.000 -0.008 0.000 0.795 188 D CB 2.053 42.849 40.800 -0.007 0.000 1.369 188 D HN 0.307 nan 8.370 nan 0.000 0.425 189 V N 0.222 120.131 119.914 -0.008 0.000 2.435 189 V HA 0.599 4.719 4.120 -0.000 0.000 0.290 189 V C 0.306 176.395 176.094 -0.008 0.000 1.030 189 V CA -0.678 61.616 62.300 -0.009 0.000 0.881 189 V CB 1.276 33.094 31.823 -0.008 0.000 0.983 189 V HN 0.610 nan 8.190 nan 0.000 0.445 190 V N 1.146 121.055 119.914 -0.009 0.000 2.962 190 V HA 0.653 4.773 4.120 -0.000 0.000 0.313 190 V C -0.315 175.775 176.094 -0.006 0.000 1.099 190 V CA -1.005 61.291 62.300 -0.008 0.000 0.971 190 V CB 2.176 33.993 31.823 -0.010 0.000 1.028 190 V HN 0.714 nan 8.190 nan 0.000 0.430 191 E N 2.474 122.672 120.200 -0.004 0.000 2.341 191 E HA 0.461 4.811 4.350 -0.000 0.000 0.256 191 E C 0.355 176.956 176.600 0.001 0.000 1.125 191 E CA 0.839 57.239 56.400 -0.000 0.000 0.939 191 E CB 0.751 30.452 29.700 0.001 0.000 0.991 191 E HN 1.097 nan 8.360 nan 0.000 0.458 192 G N 1.688 110.489 108.800 0.003 0.000 2.911 192 G HA2 0.751 4.711 3.960 -0.000 0.000 0.299 192 G HA3 0.751 4.711 3.960 -0.000 0.000 0.299 192 G C -0.921 173.988 174.900 0.016 0.000 1.283 192 G CA -0.556 44.548 45.100 0.005 0.000 0.805 192 G HN 0.415 nan 8.290 nan 0.000 0.548 193 M N -0.879 118.731 119.600 0.017 0.000 2.895 193 M HA 0.523 5.003 4.480 -0.000 0.000 0.271 193 M C -2.457 173.846 176.300 0.005 0.000 1.174 193 M CA -0.624 54.701 55.300 0.041 0.000 0.816 193 M CB 2.384 35.044 32.600 0.100 0.000 1.647 193 M HN 0.635 nan 8.290 nan 0.000 0.506 194 Q N 2.737 122.550 119.800 0.021 0.000 2.280 194 Q HA 0.541 4.881 4.340 -0.000 0.000 0.259 194 Q C -2.256 173.747 176.000 0.006 0.000 0.964 194 Q CA -0.518 55.227 55.803 -0.097 0.000 0.844 194 Q CB 1.856 30.535 28.738 -0.098 0.000 1.334 194 Q HN 0.584 nan 8.270 nan 0.000 0.423 195 F N -0.013 119.929 119.950 -0.013 0.000 2.579 195 F HA 0.548 5.075 4.527 -0.000 0.000 0.324 195 F C 0.109 175.903 175.800 -0.010 0.000 1.058 195 F CA -1.138 56.858 58.000 -0.008 0.000 0.944 195 F CB 0.975 39.973 39.000 -0.003 0.000 1.245 195 F HN 0.287 nan 8.300 nan 0.000 0.477 196 D N 2.419 122.949 120.400 0.217 0.000 2.982 196 D HA 0.092 4.732 4.640 -0.000 0.000 0.238 196 D C -0.175 176.206 176.300 0.135 0.000 1.168 196 D CA 0.335 54.402 54.000 0.112 0.000 0.947 196 D CB -0.042 40.811 40.800 0.088 0.000 1.147 196 D HN 0.241 nan 8.370 nan 0.000 0.450 197 R N -0.010 120.593 120.500 0.172 0.000 2.599 197 R HA 0.590 4.930 4.340 -0.000 0.000 0.295 197 R C 0.375 176.682 176.300 0.011 0.000 0.963 197 R CA -0.713 55.482 56.100 0.158 0.000 0.883 197 R CB 2.172 32.688 30.300 0.359 0.000 1.171 197 R HN 0.099 nan 8.270 nan 0.000 0.450 198 G N 0.890 109.664 108.800 -0.043 0.000 2.667 198 G HA2 0.451 4.411 3.960 -0.000 0.000 0.310 198 G HA3 0.451 4.411 3.960 -0.000 0.000 0.310 198 G C -0.746 174.108 174.900 -0.076 0.000 1.259 198 G CA -0.566 44.422 45.100 -0.188 0.000 1.019 198 G HN 0.435 nan 8.290 nan 0.000 0.496 199 Y N -0.859 119.463 120.300 0.037 0.000 2.652 199 Y HA 0.274 4.824 4.550 -0.000 0.000 0.344 199 Y C 1.353 177.317 175.900 0.107 0.000 1.254 199 Y CA -1.025 57.109 58.100 0.056 0.000 1.480 199 Y CB 0.192 38.725 38.460 0.120 0.000 1.345 199 Y HN 0.211 nan 8.280 nan 0.000 0.617 200 L N 1.224 122.692 121.223 0.409 0.000 2.240 200 L HA 0.056 4.396 4.340 -0.000 0.000 0.211 200 L C 0.514 177.597 176.870 0.355 0.000 1.106 200 L CA 1.166 56.210 54.840 0.340 0.000 0.793 200 L CB -0.452 41.777 42.059 0.283 0.000 0.927 200 L HN 0.840 nan 8.230 nan 0.000 0.446 201 S N -3.113 112.825 115.700 0.397 0.000 2.547 201 S HA 0.488 4.958 4.470 -0.000 0.000 0.270 201 S C -2.759 171.696 174.600 -0.241 0.000 1.150 201 S CA -1.202 57.049 58.200 0.086 0.000 0.850 201 S CB 2.054 65.281 63.200 0.045 0.000 1.118 201 S HN -0.287 nan 8.310 nan 0.000 0.461 202 P HA 0.220 nan 4.420 nan 0.000 0.317 202 P C 0.246 177.228 177.300 -0.530 0.000 1.427 202 P CA 0.538 63.156 63.100 -0.804 0.000 0.820 202 P CB -0.156 31.075 31.700 -0.782 0.000 1.894 203 Y N -4.554 115.569 120.300 -0.294 0.000 2.843 203 Y HA -0.313 4.237 4.550 -0.000 0.000 0.492 203 Y C 1.957 177.732 175.900 -0.208 0.000 1.055 203 Y CA 1.477 59.417 58.100 -0.266 0.000 2.997 203 Y CB -3.174 35.075 38.460 -0.353 0.000 0.837 203 Y HN 0.082 nan 8.280 nan 0.000 0.553 204 F N 0.466 120.426 119.950 0.017 0.000 2.236 204 F HA -0.120 4.407 4.527 -0.000 0.000 0.302 204 F C 1.500 177.300 175.800 -0.000 0.000 1.073 204 F CA 0.967 58.974 58.000 0.013 0.000 1.336 204 F CB -0.744 38.260 39.000 0.006 0.000 1.040 204 F HN -0.013 nan 8.300 nan 0.000 0.507 205 I N 2.500 123.138 120.570 0.114 0.000 2.943 205 I HA -0.222 3.948 4.170 -0.000 0.000 0.296 205 I C 0.753 176.915 176.117 0.074 0.000 1.220 205 I CA 0.522 61.861 61.300 0.065 0.000 1.409 205 I CB -0.119 37.868 38.000 -0.021 0.000 1.374 205 I HN 0.237 nan 8.210 nan 0.000 0.545 206 N N 4.852 123.599 118.700 0.080 0.000 2.184 206 N HA 0.070 4.810 4.740 -0.000 0.000 0.206 206 N C -0.018 175.522 175.510 0.049 0.000 1.151 206 N CA -0.130 52.959 53.050 0.064 0.000 0.878 206 N CB 0.477 39.005 38.487 0.068 0.000 1.014 206 N HN 0.483 nan 8.380 nan 0.000 0.512 207 K N 1.150 121.580 120.400 0.050 0.000 2.842 207 K HA 0.245 4.565 4.320 -0.000 0.000 0.176 207 K C -2.147 174.476 176.600 0.039 0.000 1.080 207 K CA -1.564 54.747 56.287 0.041 0.000 0.954 207 K CB 1.885 34.409 32.500 0.041 0.000 1.203 207 K HN -0.000 nan 8.250 nan 0.000 0.611 208 P HA -0.175 nan 4.420 nan 0.000 0.231 208 P C 0.213 177.526 177.300 0.021 0.000 1.154 208 P CA 1.103 64.218 63.100 0.023 0.000 0.762 208 P CB 0.506 32.217 31.700 0.018 0.000 0.790 209 E N -0.141 120.072 120.200 0.023 0.000 2.016 209 E HA -0.076 4.274 4.350 -0.000 0.000 0.190 209 E C 2.073 178.684 176.600 0.018 0.000 0.985 209 E CA 1.709 58.120 56.400 0.017 0.000 0.802 209 E CB -0.939 28.771 29.700 0.018 0.000 0.762 209 E HN 0.199 nan 8.360 nan 0.000 0.448 210 T N -1.283 113.287 114.554 0.027 0.000 2.942 210 T HA 0.109 4.459 4.350 -0.000 0.000 0.265 210 T C 1.359 176.084 174.700 0.042 0.000 1.062 210 T CA 0.922 63.041 62.100 0.031 0.000 1.139 210 T CB -0.000 68.893 68.868 0.042 0.000 0.883 210 T HN 0.422 nan 8.240 nan 0.000 0.468 211 G N 1.069 109.902 108.800 0.054 0.000 2.130 211 G HA2 0.108 4.068 3.960 -0.000 0.000 0.216 211 G HA3 0.108 4.068 3.960 -0.000 0.000 0.216 211 G C 0.035 175.022 174.900 0.145 0.000 0.999 211 G CA -0.055 45.092 45.100 0.078 0.000 0.686 211 G HN 0.908 nan 8.290 nan 0.000 0.515 212 A N -1.525 121.370 122.820 0.125 0.000 2.486 212 A HA 0.990 5.310 4.320 -0.000 0.000 0.277 212 A C -0.273 177.392 177.584 0.134 0.000 1.282 212 A CA -0.144 51.993 52.037 0.166 0.000 0.784 212 A CB 1.642 20.708 19.000 0.111 0.000 1.350 212 A HN 1.244 nan 8.150 nan 0.000 0.454 213 V N 0.224 120.220 119.914 0.138 0.000 2.769 213 V HA 0.665 4.785 4.120 -0.000 0.000 0.312 213 V C -0.314 175.817 176.094 0.062 0.000 1.058 213 V CA -0.424 61.939 62.300 0.106 0.000 0.952 213 V CB 1.635 33.533 31.823 0.126 0.000 1.019 213 V HN 0.909 nan 8.190 nan 0.000 0.445 214 E N 2.802 123.032 120.200 0.050 0.000 2.274 214 E HA 0.612 4.962 4.350 -0.000 0.000 0.269 214 E C -2.015 174.599 176.600 0.024 0.000 0.891 214 E CA -0.538 55.879 56.400 0.028 0.000 0.784 214 E CB 1.682 31.396 29.700 0.025 0.000 1.225 214 E HN 0.623 nan 8.360 nan 0.000 0.412 215 L N 3.443 124.672 121.223 0.010 0.000 2.381 215 L HA 0.517 4.857 4.340 -0.000 0.000 0.274 215 L C -0.421 176.442 176.870 -0.011 0.000 0.988 215 L CA -0.868 53.976 54.840 0.006 0.000 0.824 215 L CB 1.985 44.048 42.059 0.008 0.000 1.263 215 L HN 0.474 nan 8.230 nan 0.000 0.410 216 E N 1.541 121.732 120.200 -0.015 0.000 2.156 216 E HA 0.296 4.646 4.350 -0.000 0.000 0.279 216 E C -0.147 176.418 176.600 -0.059 0.000 0.965 216 E CA -0.525 55.856 56.400 -0.031 0.000 0.789 216 E CB 1.543 31.230 29.700 -0.021 0.000 1.098 216 E HN 0.635 nan 8.360 nan 0.000 0.397 217 S N 1.757 117.408 115.700 -0.081 0.000 3.614 217 S HA -0.124 4.346 4.470 -0.000 0.000 0.360 217 S C -2.032 172.437 174.600 -0.218 0.000 1.023 217 S CA 0.401 58.518 58.200 -0.140 0.000 1.114 217 S CB -1.332 61.790 63.200 -0.131 0.000 0.907 217 S HN 0.516 nan 8.310 nan 0.000 0.470 218 P HA 0.549 nan 4.420 nan 0.000 0.279 218 P C -0.121 177.049 177.300 -0.217 0.000 1.276 218 P CA -0.604 62.408 63.100 -0.146 0.000 0.801 218 P CB 0.542 32.224 31.700 -0.031 0.000 1.127 219 F N -0.526 119.431 119.950 0.011 0.000 2.432 219 F HA 0.477 5.004 4.527 -0.000 0.000 0.329 219 F C 0.742 176.550 175.800 0.012 0.000 1.076 219 F CA -0.452 57.555 58.000 0.012 0.000 1.018 219 F CB 0.901 39.908 39.000 0.012 0.000 1.201 219 F HN 0.046 nan 8.300 nan 0.000 0.489 220 I N 3.129 123.842 120.570 0.238 0.000 2.569 220 I HA 0.385 4.555 4.170 -0.000 0.000 0.296 220 I C -1.422 174.759 176.117 0.105 0.000 1.028 220 I CA -1.121 60.259 61.300 0.134 0.000 1.082 220 I CB 2.084 40.144 38.000 0.100 0.000 1.264 220 I HN 0.234 nan 8.210 nan 0.000 0.429 221 L N 6.879 128.145 121.223 0.070 0.000 2.280 221 L HA 0.520 4.860 4.340 -0.000 0.000 0.287 221 L C -1.080 175.809 176.870 0.032 0.000 1.023 221 L CA -0.178 54.688 54.840 0.043 0.000 0.819 221 L CB 0.947 43.024 42.059 0.031 0.000 1.212 221 L HN 0.473 nan 8.230 nan 0.000 0.420 222 L N 6.166 127.403 121.223 0.023 0.000 2.301 222 L HA 0.793 5.133 4.340 -0.000 0.000 0.278 222 L C -0.271 176.601 176.870 0.003 0.000 1.022 222 L CA -0.420 54.426 54.840 0.010 0.000 0.854 222 L CB 1.153 43.217 42.059 0.009 0.000 1.226 222 L HN 0.781 nan 8.230 nan 0.000 0.429 223 A N 1.849 124.670 122.820 0.001 0.000 2.381 223 A HA 0.444 4.764 4.320 -0.000 0.000 0.299 223 A C -1.068 176.515 177.584 -0.002 0.000 1.049 223 A CA -0.587 51.450 52.037 0.000 0.000 0.715 223 A CB 1.475 20.478 19.000 0.005 0.000 1.222 223 A HN 0.638 nan 8.150 nan 0.000 0.428 224 D N 2.496 122.894 120.400 -0.004 0.000 2.422 224 D HA 0.489 5.129 4.640 -0.000 0.000 0.227 224 D C -0.054 176.248 176.300 0.003 0.000 1.190 224 D CA 0.405 54.403 54.000 -0.004 0.000 0.905 224 D CB -0.279 40.516 40.800 -0.008 0.000 1.034 224 D HN 0.704 nan 8.370 nan 0.000 0.507 225 K N 0.727 121.132 120.400 0.008 0.000 3.663 225 K HA 0.133 4.453 4.320 -0.000 0.000 0.413 225 K C -1.411 175.200 176.600 0.018 0.000 1.089 225 K CA -1.133 55.162 56.287 0.013 0.000 0.860 225 K CB 0.252 32.759 32.500 0.011 0.000 1.492 225 K HN 0.024 nan 8.250 nan 0.000 0.517 226 K N 0.872 121.284 120.400 0.021 0.000 2.098 226 K HA 0.513 4.833 4.320 -0.000 0.000 0.261 226 K C -0.508 176.107 176.600 0.025 0.000 0.987 226 K CA -0.631 55.672 56.287 0.026 0.000 0.916 226 K CB 0.897 33.413 32.500 0.026 0.000 1.039 226 K HN 0.377 nan 8.250 nan 0.000 0.455 227 I N 1.696 122.285 120.570 0.031 0.000 2.439 227 I HA 0.100 4.270 4.170 -0.000 0.000 0.283 227 I C 0.160 176.298 176.117 0.035 0.000 1.023 227 I CA -0.106 61.212 61.300 0.031 0.000 1.100 227 I CB 1.899 39.920 38.000 0.034 0.000 1.238 227 I HN 0.626 nan 8.210 nan 0.000 0.445 228 S N 2.833 118.551 115.700 0.030 0.000 2.807 228 S HA 0.172 4.642 4.470 -0.000 0.000 0.247 228 S C 0.719 175.335 174.600 0.027 0.000 1.078 228 S CA -0.128 58.090 58.200 0.030 0.000 0.867 228 S CB 0.285 63.500 63.200 0.026 0.000 0.797 228 S HN 0.574 nan 8.310 nan 0.000 0.515 229 N N 2.900 121.613 118.700 0.022 0.000 2.399 229 N HA 0.186 4.926 4.740 -0.000 0.000 0.259 229 N C 0.676 176.198 175.510 0.020 0.000 1.160 229 N CA 0.023 53.084 53.050 0.018 0.000 0.946 229 N CB 0.857 39.353 38.487 0.014 0.000 1.156 229 N HN 0.333 nan 8.380 nan 0.000 0.489 230 I N 3.255 123.838 120.570 0.021 0.000 2.423 230 I HA -0.295 3.875 4.170 -0.000 0.000 0.254 230 I C 1.902 178.029 176.117 0.016 0.000 1.151 230 I CA 1.182 62.495 61.300 0.022 0.000 1.421 230 I CB 0.203 38.217 38.000 0.023 0.000 1.079 230 I HN 0.430 nan 8.210 nan 0.000 0.431 231 R N 0.821 121.329 120.500 0.013 0.000 2.119 231 R HA -0.241 4.099 4.340 -0.000 0.000 0.246 231 R C 1.939 178.243 176.300 0.007 0.000 1.146 231 R CA 2.152 58.258 56.100 0.009 0.000 0.962 231 R CB -0.472 29.832 30.300 0.007 0.000 0.863 231 R HN 0.574 nan 8.270 nan 0.000 0.442 232 E N -0.188 120.018 120.200 0.009 0.000 2.265 232 E HA -0.167 4.183 4.350 -0.000 0.000 0.196 232 E C 1.906 178.509 176.600 0.005 0.000 0.996 232 E CA 0.839 57.242 56.400 0.007 0.000 0.832 232 E CB 0.031 29.736 29.700 0.009 0.000 0.756 232 E HN 0.270 nan 8.360 nan 0.000 0.491 233 M N 0.200 119.805 119.600 0.009 0.000 2.134 233 M HA -0.048 4.432 4.480 -0.000 0.000 0.262 233 M C 2.396 178.696 176.300 0.001 0.000 1.076 233 M CA 1.077 56.382 55.300 0.008 0.000 1.143 233 M CB -1.018 31.593 32.600 0.018 0.000 1.346 233 M HN 0.141 nan 8.290 nan 0.000 0.421 234 L N 0.639 121.864 121.223 0.003 0.000 2.125 234 L HA -0.283 4.057 4.340 -0.000 0.000 0.234 234 L C -0.432 176.432 176.870 -0.009 0.000 1.110 234 L CA 2.074 56.913 54.840 -0.001 0.000 0.832 234 L CB -2.859 39.200 42.059 0.000 0.000 0.922 234 L HN 0.216 nan 8.230 nan 0.000 0.449 235 P HA -0.113 nan 4.420 nan 0.000 0.226 235 P C 1.386 178.667 177.300 -0.032 0.000 1.146 235 P CA 1.384 64.472 63.100 -0.019 0.000 0.773 235 P CB 0.197 31.888 31.700 -0.016 0.000 0.772 236 V N -1.318 118.577 119.914 -0.033 0.000 3.359 236 V HA 0.070 4.190 4.120 -0.000 0.000 0.245 236 V C 2.451 178.515 176.094 -0.050 0.000 1.247 236 V CA 0.245 62.513 62.300 -0.053 0.000 1.145 236 V CB -0.498 31.296 31.823 -0.049 0.000 0.906 236 V HN -0.041 nan 8.190 nan 0.000 0.464 237 L N 0.258 121.468 121.223 -0.023 0.000 2.456 237 L HA -0.067 4.273 4.340 -0.000 0.000 0.224 237 L C 2.226 179.090 176.870 -0.009 0.000 1.148 237 L CA 1.460 56.296 54.840 -0.007 0.000 0.825 237 L CB -0.176 41.889 42.059 0.010 0.000 0.937 237 L HN 0.466 nan 8.230 nan 0.000 0.450 238 E N -0.466 119.723 120.200 -0.019 0.000 2.251 238 E HA 0.040 4.390 4.350 -0.000 0.000 0.194 238 E C 2.131 178.713 176.600 -0.031 0.000 0.964 238 E CA 0.621 57.011 56.400 -0.016 0.000 0.868 238 E CB 0.136 29.829 29.700 -0.013 0.000 0.828 238 E HN 0.386 nan 8.360 nan 0.000 0.481 239 A N 0.975 123.761 122.820 -0.056 0.000 2.168 239 A HA -0.023 4.297 4.320 -0.000 0.000 0.215 239 A C 1.987 179.498 177.584 -0.122 0.000 1.152 239 A CA 0.666 52.652 52.037 -0.085 0.000 0.716 239 A CB 0.080 19.014 19.000 -0.109 0.000 0.794 239 A HN 0.079 nan 8.150 nan 0.000 0.465 240 V N -1.272 118.582 119.914 -0.100 0.000 3.621 240 V HA 0.143 4.263 4.120 -0.000 0.000 0.285 240 V C 2.317 178.423 176.094 0.020 0.000 1.346 240 V CA 0.827 63.079 62.300 -0.080 0.000 1.104 240 V CB 0.028 31.807 31.823 -0.073 0.000 0.913 240 V HN 0.532 nan 8.190 nan 0.000 0.432 241 A N -0.260 122.566 122.820 0.011 0.000 1.975 241 A HA 0.082 4.402 4.320 -0.000 0.000 0.215 241 A C 1.451 179.057 177.584 0.037 0.000 1.170 241 A CA 0.714 52.768 52.037 0.029 0.000 0.656 241 A CB 0.023 19.034 19.000 0.017 0.000 0.821 241 A HN 0.453 nan 8.150 nan 0.000 0.449 242 K N -2.151 118.264 120.400 0.025 0.000 2.118 242 K HA 0.428 4.748 4.320 -0.000 0.000 0.240 242 K C 1.083 177.727 176.600 0.072 0.000 1.035 242 K CA 0.301 56.608 56.287 0.034 0.000 0.899 242 K CB 0.286 32.795 32.500 0.015 0.000 1.085 242 K HN 0.601 nan 8.250 nan 0.000 0.498 243 A N 0.260 123.129 122.820 0.082 0.000 4.115 243 A HA -0.244 4.076 4.320 -0.000 0.000 0.268 243 A C 1.212 178.871 177.584 0.125 0.000 0.917 243 A CA 1.829 53.943 52.037 0.128 0.000 1.090 243 A CB -2.442 16.696 19.000 0.230 0.000 1.067 243 A HN 1.392 nan 8.150 nan 0.000 0.828 244 G N -1.257 107.607 108.800 0.105 0.000 2.321 244 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.287 244 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.287 244 G C -0.013 174.943 174.900 0.094 0.000 1.018 244 G CA 1.519 46.670 45.100 0.086 0.000 0.855 244 G HN 1.162 nan 8.290 nan 0.000 0.507 245 K N 0.702 121.196 120.400 0.157 0.000 2.156 245 K HA 0.522 4.842 4.320 -0.000 0.000 0.254 245 K C -2.014 174.689 176.600 0.171 0.000 0.950 245 K CA -1.995 54.367 56.287 0.124 0.000 0.849 245 K CB 2.338 34.861 32.500 0.039 0.000 1.100 245 K HN 0.068 nan 8.250 nan 0.000 0.434 246 P HA 0.124 nan 4.420 nan 0.000 0.275 246 P C -1.134 176.258 177.300 0.154 0.000 1.266 246 P CA -0.526 62.640 63.100 0.110 0.000 0.793 246 P CB 0.649 32.389 31.700 0.067 0.000 1.074 247 L N 0.344 121.641 121.223 0.125 0.000 2.401 247 L HA 0.564 4.904 4.340 -0.000 0.000 0.266 247 L C -1.415 175.495 176.870 0.066 0.000 0.991 247 L CA -1.041 53.878 54.840 0.132 0.000 0.818 247 L CB 1.682 43.814 42.059 0.120 0.000 1.321 247 L HN 0.175 nan 8.230 nan 0.000 0.413 248 L N 5.131 126.394 121.223 0.066 0.000 2.329 248 L HA 0.664 5.004 4.340 -0.000 0.000 0.279 248 L C -1.214 175.673 176.870 0.028 0.000 1.014 248 L CA -0.231 54.622 54.840 0.022 0.000 0.814 248 L CB 1.444 43.524 42.059 0.034 0.000 1.257 248 L HN 0.430 nan 8.230 nan 0.000 0.424 249 I N 6.787 127.355 120.570 -0.004 0.000 2.362 249 I HA 0.383 4.553 4.170 -0.000 0.000 0.289 249 I C -0.396 175.736 176.117 0.025 0.000 0.994 249 I CA -0.287 61.020 61.300 0.012 0.000 1.158 249 I CB 1.231 39.234 38.000 0.005 0.000 1.315 249 I HN 0.533 nan 8.210 nan 0.000 0.451 250 I N 5.714 126.304 120.570 0.034 0.000 2.439 250 I HA 0.678 4.848 4.170 -0.000 0.000 0.283 250 I C -0.035 176.087 176.117 0.008 0.000 1.023 250 I CA -0.239 61.078 61.300 0.029 0.000 1.100 250 I CB 1.787 39.805 38.000 0.030 0.000 1.238 250 I HN 0.709 nan 8.210 nan 0.000 0.445 251 A N 4.334 127.160 122.820 0.010 0.000 2.588 251 A HA 0.425 4.745 4.320 -0.000 0.000 0.290 251 A C 0.619 178.209 177.584 0.010 0.000 1.136 251 A CA -0.538 51.503 52.037 0.007 0.000 0.681 251 A CB 1.396 20.406 19.000 0.017 0.000 1.282 251 A HN 0.711 nan 8.150 nan 0.000 0.421 252 E N -0.583 119.624 120.200 0.012 0.000 2.147 252 E HA -0.151 4.199 4.350 -0.000 0.000 0.199 252 E C 0.117 176.736 176.600 0.031 0.000 1.005 252 E CA 2.129 58.541 56.400 0.020 0.000 0.810 252 E CB 0.072 29.786 29.700 0.023 0.000 0.736 252 E HN 0.638 nan 8.360 nan 0.000 0.460 253 D N -3.109 117.312 120.400 0.034 0.000 2.940 253 D HA 0.115 4.755 4.640 -0.000 0.000 0.304 253 D C -2.080 174.250 176.300 0.049 0.000 1.255 253 D CA -0.370 53.657 54.000 0.045 0.000 0.734 253 D CB 1.027 41.854 40.800 0.044 0.000 1.261 253 D HN -0.135 nan 8.370 nan 0.000 0.436 254 V N 1.523 121.474 119.914 0.062 0.000 2.610 254 V HA 0.424 4.544 4.120 -0.000 0.000 0.298 254 V C -0.549 175.588 176.094 0.071 0.000 1.067 254 V CA -0.685 61.656 62.300 0.068 0.000 0.894 254 V CB 1.589 33.463 31.823 0.085 0.000 1.015 254 V HN 0.443 nan 8.190 nan 0.000 0.432 255 E N 2.393 122.628 120.200 0.058 0.000 2.250 255 E HA 0.465 4.815 4.350 -0.000 0.000 0.269 255 E C 1.423 178.054 176.600 0.051 0.000 1.018 255 E CA -0.147 56.284 56.400 0.053 0.000 0.873 255 E CB 1.619 31.343 29.700 0.040 0.000 1.134 255 E HN 0.773 nan 8.360 nan 0.000 0.403 256 G N 1.589 110.417 108.800 0.047 0.000 3.437 256 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.238 256 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.238 256 G C 1.222 176.144 174.900 0.036 0.000 1.054 256 G CA 1.659 46.783 45.100 0.040 0.000 0.704 256 G HN 0.538 nan 8.290 nan 0.000 0.713 257 E N 0.707 120.928 120.200 0.034 0.000 2.002 257 E HA 0.138 4.488 4.350 -0.000 0.000 0.196 257 E C 2.942 179.563 176.600 0.035 0.000 0.974 257 E CA 0.954 57.372 56.400 0.029 0.000 0.853 257 E CB -0.848 28.867 29.700 0.025 0.000 0.808 257 E HN 0.324 nan 8.360 nan 0.000 0.492 258 A N 1.034 123.879 122.820 0.041 0.000 2.234 258 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 258 A C 2.081 179.709 177.584 0.073 0.000 1.167 258 A CA 1.142 53.209 52.037 0.050 0.000 0.698 258 A CB -0.465 18.564 19.000 0.049 0.000 0.779 258 A HN 0.326 nan 8.150 nan 0.000 0.475 259 L N -0.577 120.692 121.223 0.077 0.000 2.013 259 L HA 0.200 4.540 4.340 -0.000 0.000 0.204 259 L C 2.510 179.427 176.870 0.078 0.000 1.081 259 L CA 2.120 57.026 54.840 0.109 0.000 0.751 259 L CB -0.994 41.129 42.059 0.106 0.000 0.901 259 L HN 0.226 nan 8.230 nan 0.000 0.440 260 A N -1.686 121.160 122.820 0.044 0.000 2.234 260 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 260 A C 2.051 179.632 177.584 -0.004 0.000 1.167 260 A CA 1.863 53.904 52.037 0.008 0.000 0.698 260 A CB -1.058 17.945 19.000 0.005 0.000 0.779 260 A HN 0.598 nan 8.150 nan 0.000 0.475 261 T N -0.099 114.467 114.554 0.021 0.000 2.814 261 T HA 0.056 4.406 4.350 -0.000 0.000 0.254 261 T C 1.755 176.471 174.700 0.026 0.000 1.037 261 T CA 1.162 63.273 62.100 0.018 0.000 1.143 261 T CB -0.238 68.648 68.868 0.030 0.000 0.866 261 T HN 0.411 nan 8.240 nan 0.000 0.431 262 L N 1.110 122.374 121.223 0.069 0.000 2.156 262 L HA 0.003 4.343 4.340 -0.000 0.000 0.208 262 L C 2.526 179.431 176.870 0.058 0.000 1.095 262 L CA 0.595 55.504 54.840 0.115 0.000 0.770 262 L CB -0.719 41.475 42.059 0.224 0.000 0.914 262 L HN 0.113 nan 8.230 nan 0.000 0.439 263 V N -0.430 119.458 119.914 -0.042 0.000 2.688 263 V HA -0.207 3.913 4.120 -0.000 0.000 0.256 263 V C 2.136 178.104 176.094 -0.210 0.000 1.084 263 V CA 1.293 63.443 62.300 -0.250 0.000 1.103 263 V CB -0.162 31.533 31.823 -0.213 0.000 0.688 263 V HN 0.267 nan 8.190 nan 0.000 0.480 264 V N -1.002 118.841 119.914 -0.119 0.000 3.048 264 V HA -0.012 4.108 4.120 -0.000 0.000 0.241 264 V C 1.909 177.966 176.094 -0.062 0.000 1.129 264 V CA 1.099 63.331 62.300 -0.113 0.000 1.128 264 V CB -0.471 31.297 31.823 -0.093 0.000 0.849 264 V HN 0.498 nan 8.190 nan 0.000 0.475 265 N N 0.979 119.667 118.700 -0.021 0.000 2.084 265 N HA -0.168 4.572 4.740 -0.000 0.000 0.190 265 N C 1.777 177.297 175.510 0.017 0.000 1.030 265 N CA 1.896 54.948 53.050 0.004 0.000 0.849 265 N CB -0.043 38.460 38.487 0.026 0.000 1.012 265 N HN 0.586 nan 8.380 nan 0.000 0.423 266 T N -1.652 112.926 114.554 0.040 0.000 3.194 266 T HA 0.070 4.420 4.350 -0.000 0.000 0.251 266 T C 1.401 176.117 174.700 0.026 0.000 1.132 266 T CA 0.134 62.272 62.100 0.062 0.000 1.028 266 T CB 0.102 69.054 68.868 0.140 0.000 0.976 266 T HN 0.033 nan 8.240 nan 0.000 0.535 267 M N 0.634 120.220 119.600 -0.023 0.000 2.466 267 M HA 0.394 4.874 4.480 -0.000 0.000 0.265 267 M C 2.152 178.429 176.300 -0.039 0.000 1.122 267 M CA 1.032 56.298 55.300 -0.058 0.000 1.157 267 M CB 0.119 32.641 32.600 -0.131 0.000 1.352 267 M HN 0.061 nan 8.290 nan 0.000 0.464 268 R N -0.545 119.938 120.500 -0.029 0.000 2.297 268 R HA 0.296 4.636 4.340 -0.000 0.000 0.197 268 R C 0.870 177.168 176.300 -0.003 0.000 0.943 268 R CA 0.711 56.799 56.100 -0.019 0.000 1.038 268 R CB 0.097 30.385 30.300 -0.019 0.000 0.957 268 R HN 0.596 nan 8.270 nan 0.000 0.484 269 G N 1.122 109.926 108.800 0.007 0.000 2.148 269 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.203 269 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.203 269 G C 0.112 175.026 174.900 0.023 0.000 0.993 269 G CA -0.535 44.575 45.100 0.018 0.000 0.661 269 G HN 0.208 nan 8.290 nan 0.000 0.518 270 I N 1.905 122.488 120.570 0.022 0.000 2.256 270 I HA 0.387 4.557 4.170 -0.000 0.000 0.294 270 I C 0.819 176.959 176.117 0.039 0.000 1.127 270 I CA -0.796 60.520 61.300 0.025 0.000 1.247 270 I CB 0.660 38.670 38.000 0.017 0.000 1.460 270 I HN 0.098 nan 8.210 nan 0.000 0.511 271 V N 4.702 124.644 119.914 0.046 0.000 3.814 271 V HA -0.241 3.879 4.120 -0.000 0.000 0.480 271 V C 0.187 176.327 176.094 0.077 0.000 0.682 271 V CA 0.431 62.767 62.300 0.060 0.000 1.959 271 V CB -1.510 30.347 31.823 0.057 0.000 2.372 271 V HN 0.759 nan 8.190 nan 0.000 0.501 272 K N 3.978 124.428 120.400 0.083 0.000 2.368 272 K HA 0.688 5.008 4.320 -0.000 0.000 0.282 272 K C -0.168 176.501 176.600 0.115 0.000 1.035 272 K CA -0.113 56.238 56.287 0.106 0.000 0.973 272 K CB 1.330 33.887 32.500 0.094 0.000 0.957 272 K HN 0.528 nan 8.250 nan 0.000 0.474 273 V N 0.652 120.659 119.914 0.155 0.000 3.159 273 V HA 0.871 4.991 4.120 -0.000 0.000 0.308 273 V C -1.143 174.979 176.094 0.046 0.000 1.190 273 V CA -1.060 61.305 62.300 0.107 0.000 1.037 273 V CB 2.245 34.134 31.823 0.111 0.000 1.060 273 V HN 0.821 nan 8.190 nan 0.000 0.437 274 A N 1.292 123.981 122.820 -0.219 0.000 2.594 274 A HA 1.036 5.356 4.320 -0.000 0.000 0.295 274 A C -0.922 176.359 177.584 -0.505 0.000 1.071 274 A CA -0.046 51.497 52.037 -0.822 0.000 0.685 274 A CB 1.950 20.591 19.000 -0.598 0.000 1.285 274 A HN 1.957 nan 8.150 nan 0.000 0.405 275 A N 0.173 122.633 122.820 -0.600 0.000 2.498 275 A HA 0.931 5.251 4.320 -0.000 0.000 0.298 275 A C -0.664 176.870 177.584 -0.083 0.000 1.075 275 A CA -0.093 51.828 52.037 -0.193 0.000 0.714 275 A CB 1.573 20.536 19.000 -0.061 0.000 1.299 275 A HN 2.365 nan 8.150 nan 0.000 0.407 276 V N -1.354 118.571 119.914 0.018 0.000 2.969 276 V HA 0.556 4.676 4.120 -0.000 0.000 0.304 276 V C -0.597 175.554 176.094 0.095 0.000 1.192 276 V CA -1.331 61.019 62.300 0.084 0.000 0.962 276 V CB 1.321 33.222 31.823 0.130 0.000 1.045 276 V HN 0.911 nan 8.190 nan 0.000 0.428 277 K N 2.222 122.678 120.400 0.093 0.000 2.469 277 K HA 0.502 4.822 4.320 -0.000 0.000 0.274 277 K C 0.799 177.418 176.600 0.033 0.000 0.983 277 K CA 0.526 56.851 56.287 0.064 0.000 0.974 277 K CB 0.743 33.282 32.500 0.065 0.000 0.913 277 K HN 1.148 nan 8.250 nan 0.000 0.493 278 A N 4.202 127.009 122.820 -0.022 0.000 2.364 278 A HA 0.180 4.500 4.320 -0.000 0.000 0.258 278 A C -2.024 175.460 177.584 -0.168 0.000 1.131 278 A CA -0.751 51.211 52.037 -0.126 0.000 0.800 278 A CB -0.490 18.455 19.000 -0.092 0.000 1.086 278 A HN 0.547 nan 8.150 nan 0.000 0.508 279 P HA 0.401 nan 4.420 nan 0.000 0.284 279 P C 0.700 177.965 177.300 -0.059 0.000 1.253 279 P CA 1.105 64.065 63.100 -0.233 0.000 0.800 279 P CB 0.868 32.327 31.700 -0.403 0.000 0.961 280 G N 2.878 111.705 108.800 0.045 0.000 2.581 280 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.291 280 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.291 280 G C -0.500 174.562 174.900 0.270 0.000 1.277 280 G CA 0.754 45.950 45.100 0.160 0.000 0.959 280 G HN 0.771 nan 8.290 nan 0.000 0.554 281 F N -3.432 116.517 119.950 -0.002 0.000 2.831 281 F HA 0.726 5.253 4.527 -0.000 0.000 0.318 281 F C 0.933 176.739 175.800 0.010 0.000 1.174 281 F CA 0.377 58.379 58.000 0.003 0.000 0.918 281 F CB 0.703 39.711 39.000 0.013 0.000 1.364 281 F HN 2.442 nan 8.300 nan 0.000 0.475 282 G N 0.969 109.774 108.800 0.007 0.000 2.527 282 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.268 282 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.268 282 G C 0.158 174.999 174.900 -0.098 0.000 1.175 282 G CA 0.509 45.548 45.100 -0.101 0.000 0.962 282 G HN 0.909 nan 8.290 nan 0.000 0.560 283 D N 0.971 121.295 120.400 -0.126 0.000 2.271 283 D HA -0.008 4.632 4.640 -0.000 0.000 0.206 283 D C 2.534 178.774 176.300 -0.100 0.000 0.967 283 D CA 1.161 55.111 54.000 -0.084 0.000 0.867 283 D CB -0.010 40.753 40.800 -0.062 0.000 0.960 283 D HN 0.633 nan 8.370 nan 0.000 0.509 284 R N 1.131 121.540 120.500 -0.151 0.000 2.276 284 R HA 0.067 4.407 4.340 -0.000 0.000 0.203 284 R C 2.092 178.319 176.300 -0.121 0.000 1.017 284 R CA 0.352 56.370 56.100 -0.137 0.000 1.010 284 R CB -0.229 29.968 30.300 -0.170 0.000 0.900 284 R HN 0.003 nan 8.270 nan 0.000 0.469 285 R N 2.121 122.551 120.500 -0.117 0.000 2.066 285 R HA -0.061 4.279 4.340 -0.000 0.000 0.232 285 R C 1.248 177.506 176.300 -0.070 0.000 1.131 285 R CA 1.535 57.588 56.100 -0.079 0.000 0.955 285 R CB -0.055 30.225 30.300 -0.033 0.000 0.851 285 R HN 0.221 nan 8.270 nan 0.000 0.432 286 K N -0.075 120.291 120.400 -0.057 0.000 2.442 286 K HA -0.032 4.288 4.320 -0.000 0.000 0.198 286 K C 1.706 178.276 176.600 -0.050 0.000 1.042 286 K CA 0.941 57.201 56.287 -0.045 0.000 0.958 286 K CB 0.155 32.635 32.500 -0.033 0.000 0.766 286 K HN 0.275 nan 8.250 nan 0.000 0.474 287 A N 0.908 123.692 122.820 -0.060 0.000 1.909 287 A HA 0.062 4.382 4.320 -0.000 0.000 0.209 287 A C 2.044 179.591 177.584 -0.063 0.000 1.247 287 A CA 0.252 52.255 52.037 -0.056 0.000 0.660 287 A CB -0.218 18.747 19.000 -0.058 0.000 0.910 287 A HN 0.048 nan 8.150 nan 0.000 0.465 288 M N -0.360 119.193 119.600 -0.080 0.000 2.082 288 M HA -0.185 4.295 4.480 -0.000 0.000 0.258 288 M C 2.250 178.488 176.300 -0.103 0.000 1.069 288 M CA 1.849 57.095 55.300 -0.091 0.000 1.102 288 M CB -0.490 32.041 32.600 -0.115 0.000 1.336 288 M HN 0.536 nan 8.290 nan 0.000 0.404 289 L N 0.180 121.336 121.223 -0.112 0.000 2.127 289 L HA -0.281 4.059 4.340 -0.000 0.000 0.211 289 L C 2.487 179.318 176.870 -0.065 0.000 1.089 289 L CA 1.570 56.345 54.840 -0.109 0.000 0.757 289 L CB -0.262 41.741 42.059 -0.092 0.000 0.899 289 L HN 0.315 nan 8.230 nan 0.000 0.434 290 Q N 0.056 119.825 119.800 -0.051 0.000 2.167 290 Q HA -0.216 4.124 4.340 -0.000 0.000 0.202 290 Q C 1.670 177.655 176.000 -0.025 0.000 0.970 290 Q CA 2.016 57.800 55.803 -0.032 0.000 0.855 290 Q CB -0.181 28.539 28.738 -0.029 0.000 0.911 290 Q HN 0.545 nan 8.270 nan 0.000 0.438 291 D N 0.159 120.541 120.400 -0.031 0.000 2.084 291 D HA -0.159 4.481 4.640 -0.000 0.000 0.194 291 D C 1.899 178.195 176.300 -0.005 0.000 0.990 291 D CA 1.407 55.397 54.000 -0.017 0.000 0.826 291 D CB -0.282 40.506 40.800 -0.019 0.000 0.971 291 D HN 0.360 nan 8.370 nan 0.000 0.453 292 I N 1.348 121.911 120.570 -0.011 0.000 2.300 292 I HA -0.318 3.852 4.170 -0.000 0.000 0.252 292 I C 2.447 178.576 176.117 0.018 0.000 1.119 292 I CA 1.058 62.367 61.300 0.014 0.000 1.384 292 I CB -0.205 37.792 38.000 -0.005 0.000 1.062 292 I HN -0.057 nan 8.210 nan 0.000 0.426 293 A N 0.437 123.260 122.820 0.005 0.000 1.855 293 A HA -0.184 4.136 4.320 -0.000 0.000 0.215 293 A C 2.377 179.970 177.584 0.015 0.000 1.191 293 A CA 2.347 54.391 52.037 0.012 0.000 0.613 293 A CB -1.104 17.898 19.000 0.003 0.000 0.829 293 A HN 0.365 nan 8.150 nan 0.000 0.442 294 T N 0.730 115.289 114.554 0.008 0.000 2.720 294 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 294 T C 1.828 176.536 174.700 0.013 0.000 1.037 294 T CA 1.287 63.392 62.100 0.009 0.000 1.144 294 T CB -0.353 68.517 68.868 0.003 0.000 0.864 294 T HN 0.297 nan 8.240 nan 0.000 0.444 295 L N 2.173 123.405 121.223 0.016 0.000 2.131 295 L HA -0.053 4.287 4.340 -0.000 0.000 0.210 295 L C 1.841 178.725 176.870 0.023 0.000 1.092 295 L CA 2.167 57.019 54.840 0.020 0.000 0.759 295 L CB -1.236 40.840 42.059 0.028 0.000 0.903 295 L HN 0.459 nan 8.230 nan 0.000 0.435 296 T N -3.776 110.795 114.554 0.029 0.000 3.248 296 T HA 0.365 4.715 4.350 -0.000 0.000 0.271 296 T C 1.032 175.754 174.700 0.037 0.000 1.005 296 T CA 0.127 62.247 62.100 0.033 0.000 0.902 296 T CB -0.326 68.569 68.868 0.044 0.000 1.102 296 T HN 0.519 nan 8.240 nan 0.000 0.548 297 G N 0.198 109.016 108.800 0.030 0.000 2.386 297 G HA2 0.143 4.103 3.960 -0.000 0.000 0.295 297 G HA3 0.143 4.103 3.960 -0.000 0.000 0.295 297 G C 0.378 175.304 174.900 0.042 0.000 0.979 297 G CA 0.005 45.124 45.100 0.032 0.000 1.193 297 G HN 1.145 nan 8.290 nan 0.000 0.508 298 G N -1.540 107.282 108.800 0.037 0.000 3.135 298 G HA2 0.925 4.885 3.960 -0.000 0.000 0.278 298 G HA3 0.925 4.885 3.960 -0.000 0.000 0.278 298 G C -0.670 174.244 174.900 0.023 0.000 1.302 298 G CA 0.302 45.425 45.100 0.038 0.000 0.880 298 G HN 0.837 nan 8.290 nan 0.000 0.574 299 T N -0.463 114.102 114.554 0.018 0.000 2.916 299 T HA 0.525 4.875 4.350 -0.000 0.000 0.305 299 T C -0.625 174.078 174.700 0.005 0.000 1.119 299 T CA -0.370 61.735 62.100 0.009 0.000 1.008 299 T CB 1.961 70.832 68.868 0.006 0.000 1.129 299 T HN 0.427 nan 8.240 nan 0.000 0.480 300 V N 2.818 122.731 119.914 -0.001 0.000 2.583 300 V HA 0.390 4.510 4.120 -0.000 0.000 0.287 300 V C 0.010 176.101 176.094 -0.004 0.000 1.051 300 V CA -0.454 61.843 62.300 -0.005 0.000 1.010 300 V CB 0.701 32.518 31.823 -0.010 0.000 0.988 300 V HN 0.723 nan 8.190 nan 0.000 0.478 301 I N 5.012 125.580 120.570 -0.004 0.000 2.412 301 I HA 0.328 4.498 4.170 -0.000 0.000 0.279 301 I C 0.299 176.415 176.117 -0.003 0.000 1.063 301 I CA 0.064 61.362 61.300 -0.003 0.000 1.193 301 I CB 0.929 38.928 38.000 -0.002 0.000 1.370 301 I HN 0.728 nan 8.210 nan 0.000 0.479 302 S N 2.727 118.425 115.700 -0.003 0.000 2.621 302 S HA 0.454 4.924 4.470 -0.000 0.000 0.302 302 S C 0.452 175.052 174.600 -0.001 0.000 1.093 302 S CA -0.828 57.370 58.200 -0.002 0.000 1.017 302 S CB 2.161 65.359 63.200 -0.004 0.000 1.077 302 S HN 0.553 nan 8.310 nan 0.000 0.517 303 E N 0.333 120.533 120.200 0.001 0.000 2.442 303 E HA -0.015 4.335 4.350 -0.000 0.000 0.195 303 E C 1.066 177.666 176.600 0.001 0.000 1.030 303 E CA 0.306 56.708 56.400 0.002 0.000 0.869 303 E CB -0.022 29.680 29.700 0.004 0.000 0.857 303 E HN 0.746 nan 8.360 nan 0.000 0.505 304 E N 0.457 120.657 120.200 0.000 0.000 2.338 304 E HA -0.094 4.256 4.350 -0.000 0.000 0.197 304 E C 1.418 178.017 176.600 -0.001 0.000 1.007 304 E CA 0.690 57.090 56.400 -0.000 0.000 0.849 304 E CB 0.151 29.850 29.700 -0.001 0.000 0.774 304 E HN 0.342 nan 8.360 nan 0.000 0.506 305 I N -0.938 119.631 120.570 -0.001 0.000 4.154 305 I HA 0.191 4.361 4.170 -0.000 0.000 0.334 305 I C 0.879 176.996 176.117 -0.001 0.000 1.371 305 I CA 0.029 61.328 61.300 -0.002 0.000 1.110 305 I CB 1.003 39.001 38.000 -0.003 0.000 1.085 305 I HN 0.097 nan 8.210 nan 0.000 0.398 306 G N 2.153 110.953 108.800 -0.001 0.000 2.165 306 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.226 306 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.226 306 G C -0.013 174.886 174.900 -0.001 0.000 1.035 306 G CA -0.342 44.758 45.100 -0.000 0.000 0.744 306 G HN 0.237 nan 8.290 nan 0.000 0.501 307 M N 0.295 119.894 119.600 -0.001 0.000 2.300 307 M HA 0.519 4.999 4.480 -0.000 0.000 0.348 307 M C 0.208 176.507 176.300 -0.001 0.000 1.151 307 M CA -0.217 55.081 55.300 -0.002 0.000 1.046 307 M CB 1.470 34.068 32.600 -0.002 0.000 1.647 307 M HN 0.220 nan 8.290 nan 0.000 0.451 308 E N 2.067 122.266 120.200 -0.002 0.000 2.227 308 E HA 0.326 4.676 4.350 -0.000 0.000 0.268 308 E C 0.210 176.808 176.600 -0.003 0.000 0.907 308 E CA -0.555 55.844 56.400 -0.002 0.000 0.786 308 E CB 2.233 31.932 29.700 -0.002 0.000 1.191 308 E HN 0.683 nan 8.360 nan 0.000 0.411 309 L N 1.632 122.854 121.223 -0.002 0.000 2.456 309 L HA -0.144 4.196 4.340 -0.000 0.000 0.224 309 L C 1.440 178.305 176.870 -0.008 0.000 1.148 309 L CA 0.901 55.739 54.840 -0.004 0.000 0.825 309 L CB -0.197 41.862 42.059 0.000 0.000 0.937 309 L HN 0.522 nan 8.230 nan 0.000 0.450 310 E N 0.358 120.554 120.200 -0.006 0.000 2.158 310 E HA -0.060 4.290 4.350 -0.000 0.000 0.191 310 E C 0.652 177.245 176.600 -0.012 0.000 0.982 310 E CA 0.813 57.208 56.400 -0.009 0.000 0.823 310 E CB 0.121 29.818 29.700 -0.005 0.000 0.766 310 E HN 0.259 nan 8.360 nan 0.000 0.468 311 K N 0.722 121.116 120.400 -0.011 0.000 2.765 311 K HA 0.520 4.840 4.320 -0.000 0.000 0.246 311 K C -0.919 175.672 176.600 -0.015 0.000 1.254 311 K CA -0.230 56.050 56.287 -0.012 0.000 1.219 311 K CB 0.935 33.429 32.500 -0.009 0.000 1.747 311 K HN -0.052 nan 8.250 nan 0.000 0.372 312 A N 1.129 123.935 122.820 -0.022 0.000 2.442 312 A HA 0.345 4.665 4.320 -0.000 0.000 0.284 312 A C 0.215 177.773 177.584 -0.044 0.000 1.058 312 A CA -0.762 51.258 52.037 -0.028 0.000 0.738 312 A CB 0.729 19.714 19.000 -0.026 0.000 1.242 312 A HN 0.377 nan 8.150 nan 0.000 0.421 313 T N 0.043 114.569 114.554 -0.047 0.000 3.018 313 T HA 0.483 4.833 4.350 -0.000 0.000 0.338 313 T C 1.068 175.704 174.700 -0.106 0.000 1.208 313 T CA -0.160 61.900 62.100 -0.066 0.000 0.963 313 T CB 0.045 68.885 68.868 -0.047 0.000 1.697 313 T HN 0.385 nan 8.240 nan 0.000 0.560 314 L N -0.042 121.100 121.223 -0.134 0.000 2.567 314 L HA 0.272 4.612 4.340 -0.000 0.000 0.225 314 L C 2.754 179.565 176.870 -0.098 0.000 1.119 314 L CA 0.485 55.187 54.840 -0.230 0.000 0.871 314 L CB -0.358 41.514 42.059 -0.312 0.000 1.036 314 L HN 0.798 nan 8.230 nan 0.000 0.459 315 E N 0.527 120.704 120.200 -0.039 0.000 2.170 315 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 315 E C 0.939 177.549 176.600 0.016 0.000 0.981 315 E CA 0.730 57.136 56.400 0.009 0.000 0.830 315 E CB 0.338 30.041 29.700 0.006 0.000 0.775 315 E HN 0.390 nan 8.360 nan 0.000 0.470 316 D N 0.392 120.790 120.400 -0.004 0.000 2.363 316 D HA -0.001 4.639 4.640 -0.000 0.000 0.226 316 D C -0.227 176.082 176.300 0.016 0.000 1.020 316 D CA 0.309 54.312 54.000 0.004 0.000 0.892 316 D CB 0.238 41.033 40.800 -0.007 0.000 0.900 316 D HN 0.115 nan 8.370 nan 0.000 0.531 317 L N 0.311 121.549 121.223 0.025 0.000 2.343 317 L HA 0.398 4.738 4.340 -0.000 0.000 0.275 317 L C 1.291 178.243 176.870 0.136 0.000 1.056 317 L CA -0.534 54.347 54.840 0.069 0.000 0.804 317 L CB 1.412 43.494 42.059 0.038 0.000 1.203 317 L HN -0.176 nan 8.230 nan 0.000 0.440 318 G N 1.052 109.929 108.800 0.129 0.000 2.599 318 G HA2 0.486 4.446 3.960 -0.000 0.000 0.264 318 G HA3 0.486 4.446 3.960 -0.000 0.000 0.264 318 G C -0.999 173.990 174.900 0.149 0.000 1.200 318 G CA -0.166 45.002 45.100 0.113 0.000 0.896 318 G HN 0.600 nan 8.290 nan 0.000 0.536 319 Q N -1.015 118.830 119.800 0.075 0.000 2.403 319 Q HA 0.550 4.890 4.340 -0.000 0.000 0.267 319 Q C -1.124 174.858 176.000 -0.030 0.000 0.991 319 Q CA -0.714 55.089 55.803 -0.001 0.000 0.906 319 Q CB 1.804 30.522 28.738 -0.034 0.000 1.422 319 Q HN 0.979 nan 8.270 nan 0.000 0.400 320 A N 2.569 125.353 122.820 -0.060 0.000 2.524 320 A HA 0.600 4.920 4.320 -0.000 0.000 0.286 320 A C -0.821 176.721 177.584 -0.071 0.000 1.203 320 A CA -0.645 51.364 52.037 -0.046 0.000 0.736 320 A CB 1.589 20.577 19.000 -0.021 0.000 1.322 320 A HN 0.754 nan 8.150 nan 0.000 0.424 321 K N -0.523 119.846 120.400 -0.052 0.000 2.387 321 K HA 0.309 4.629 4.320 -0.000 0.000 0.198 321 K C -0.022 176.552 176.600 -0.044 0.000 1.022 321 K CA 0.345 56.600 56.287 -0.054 0.000 1.128 321 K CB 0.349 32.824 32.500 -0.041 0.000 0.853 321 K HN 0.512 nan 8.250 nan 0.000 0.523 322 R N -0.016 120.460 120.500 -0.040 0.000 4.584 322 R HA 0.037 4.377 4.340 -0.000 0.000 0.251 322 R C -2.181 174.101 176.300 -0.030 0.000 0.957 322 R CA -0.477 55.604 56.100 -0.032 0.000 1.195 322 R CB 0.751 31.035 30.300 -0.026 0.000 1.233 322 R HN -0.014 nan 8.270 nan 0.000 0.630 323 V N 0.254 120.152 119.914 -0.027 0.000 2.932 323 V HA 0.886 5.006 4.120 -0.000 0.000 0.307 323 V C -1.222 174.852 176.094 -0.033 0.000 1.147 323 V CA -0.722 61.557 62.300 -0.035 0.000 0.951 323 V CB 2.196 34.001 31.823 -0.030 0.000 1.031 323 V HN 0.424 nan 8.190 nan 0.000 0.426 324 V N 4.558 124.441 119.914 -0.052 0.000 2.864 324 V HA 0.700 4.820 4.120 -0.000 0.000 0.314 324 V C -0.362 175.694 176.094 -0.063 0.000 1.073 324 V CA -0.505 61.773 62.300 -0.038 0.000 0.956 324 V CB 1.983 33.786 31.823 -0.034 0.000 1.023 324 V HN 1.078 nan 8.190 nan 0.000 0.435 325 I N 0.173 120.729 120.570 -0.023 0.000 2.576 325 I HA 0.505 4.675 4.170 -0.000 0.000 0.279 325 I C -0.108 176.004 176.117 -0.007 0.000 1.114 325 I CA -0.582 60.694 61.300 -0.040 0.000 1.076 325 I CB 1.161 39.155 38.000 -0.010 0.000 1.212 325 I HN 0.434 nan 8.210 nan 0.000 0.472 326 N N 4.596 123.245 118.700 -0.085 0.000 2.255 326 N HA 0.006 4.746 4.740 -0.000 0.000 0.260 326 N C 1.048 176.298 175.510 -0.433 0.000 1.288 326 N CA -0.053 52.926 53.050 -0.117 0.000 0.894 326 N CB 0.744 39.174 38.487 -0.094 0.000 1.033 326 N HN 0.678 nan 8.380 nan 0.000 0.477 327 K N 0.368 120.500 120.400 -0.446 0.000 2.097 327 K HA -0.155 4.165 4.320 -0.000 0.000 0.205 327 K C -0.316 175.912 176.600 -0.620 0.000 1.050 327 K CA 1.799 57.621 56.287 -0.775 0.000 0.938 327 K CB 0.004 32.358 32.500 -0.244 0.000 0.718 327 K HN 0.610 nan 8.250 nan 0.000 0.442 328 D N -1.097 119.108 120.400 -0.325 0.000 2.822 328 D HA 0.103 4.743 4.640 -0.000 0.000 0.327 328 D C -1.137 175.087 176.300 -0.126 0.000 1.577 328 D CA -0.482 53.405 54.000 -0.189 0.000 0.785 328 D CB 0.863 41.600 40.800 -0.106 0.000 1.199 328 D HN -0.158 nan 8.370 nan 0.000 0.443 329 T N -0.115 114.341 114.554 -0.162 0.000 3.293 329 T HA 0.465 4.815 4.350 -0.000 0.000 0.320 329 T C -0.437 174.134 174.700 -0.214 0.000 0.995 329 T CA -0.453 61.558 62.100 -0.149 0.000 1.041 329 T CB 1.940 70.742 68.868 -0.109 0.000 1.058 329 T HN -0.053 nan 8.240 nan 0.000 0.453 330 T N 1.767 116.105 114.554 -0.360 0.000 2.884 330 T HA 0.821 5.171 4.350 -0.000 0.000 0.277 330 T C -0.070 174.311 174.700 -0.531 0.000 0.976 330 T CA -0.573 61.223 62.100 -0.507 0.000 0.956 330 T CB 1.500 69.833 68.868 -0.892 0.000 1.113 330 T HN 0.715 nan 8.240 nan 0.000 0.554 331 T N 0.899 115.185 114.554 -0.446 0.000 4.242 331 T HA 0.319 4.669 4.350 -0.000 0.000 0.422 331 T C -1.599 172.999 174.700 -0.170 0.000 1.136 331 T CA -0.595 61.331 62.100 -0.290 0.000 1.071 331 T CB -0.160 68.598 68.868 -0.183 0.000 1.260 331 T HN 0.455 nan 8.240 nan 0.000 0.453 332 I N 5.785 126.287 120.570 -0.114 0.000 2.353 332 I HA 0.518 4.688 4.170 -0.000 0.000 0.293 332 I C -0.009 176.091 176.117 -0.028 0.000 0.992 332 I CA -0.958 60.319 61.300 -0.039 0.000 1.268 332 I CB 1.440 39.456 38.000 0.025 0.000 1.387 332 I HN 0.565 nan 8.210 nan 0.000 0.478 333 I N 5.406 125.960 120.570 -0.026 0.000 2.389 333 I HA 0.216 4.386 4.170 -0.000 0.000 0.288 333 I C -0.655 175.451 176.117 -0.018 0.000 0.999 333 I CA -0.529 60.758 61.300 -0.023 0.000 1.129 333 I CB 1.428 39.412 38.000 -0.027 0.000 1.288 333 I HN 0.610 nan 8.210 nan 0.000 0.444 334 D N 4.645 125.038 120.400 -0.013 0.000 4.597 334 D HA -0.117 4.523 4.640 -0.000 0.000 0.234 334 D C -0.214 176.079 176.300 -0.011 0.000 1.052 334 D CA 1.199 55.192 54.000 -0.012 0.000 1.265 334 D CB 0.183 40.973 40.800 -0.016 0.000 0.738 334 D HN 0.813 nan 8.370 nan 0.000 0.372 335 G N 1.628 110.426 108.800 -0.004 0.000 2.454 335 G HA2 0.504 4.464 3.960 -0.000 0.000 0.329 335 G HA3 0.504 4.464 3.960 -0.000 0.000 0.329 335 G C 1.171 176.071 174.900 -0.001 0.000 1.177 335 G CA -0.417 44.683 45.100 -0.001 0.000 0.951 335 G HN 0.455 nan 8.290 nan 0.000 0.485 336 V N 1.175 121.089 119.914 -0.000 0.000 2.720 336 V HA -0.007 4.113 4.120 -0.000 0.000 0.256 336 V C 2.173 178.272 176.094 0.008 0.000 1.082 336 V CA 1.121 63.423 62.300 0.003 0.000 1.101 336 V CB -1.268 30.560 31.823 0.009 0.000 0.693 336 V HN 0.847 nan 8.190 nan 0.000 0.479 337 G N 1.207 110.014 108.800 0.011 0.000 2.187 337 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.239 337 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.239 337 G C -0.069 174.835 174.900 0.008 0.000 1.200 337 G CA -0.090 45.017 45.100 0.011 0.000 0.888 337 G HN 0.582 nan 8.290 nan 0.000 0.482 338 E N 1.843 122.048 120.200 0.007 0.000 2.331 338 E HA 0.065 4.415 4.350 -0.000 0.000 0.272 338 E C 0.673 177.275 176.600 0.004 0.000 1.036 338 E CA -0.229 56.175 56.400 0.005 0.000 0.864 338 E CB 1.334 31.038 29.700 0.006 0.000 1.035 338 E HN 0.654 nan 8.360 nan 0.000 0.408 339 E N 1.386 121.587 120.200 0.002 0.000 2.527 339 E HA -0.166 4.184 4.350 -0.000 0.000 0.204 339 E C 0.970 177.571 176.600 0.001 0.000 1.132 339 E CA 0.220 56.621 56.400 0.001 0.000 0.905 339 E CB -0.008 29.693 29.700 0.000 0.000 0.875 339 E HN 0.501 nan 8.360 nan 0.000 0.548 340 A N 1.206 124.027 122.820 0.002 0.000 1.884 340 A HA 0.227 4.547 4.320 -0.000 0.000 0.212 340 A C 2.296 179.880 177.584 0.001 0.000 1.265 340 A CA 0.750 52.788 52.037 0.001 0.000 0.626 340 A CB -0.424 18.577 19.000 0.002 0.000 0.943 340 A HN 0.281 nan 8.150 nan 0.000 0.466 341 A N -0.494 122.328 122.820 0.002 0.000 2.121 341 A HA 0.104 4.424 4.320 -0.000 0.000 0.218 341 A C 1.957 179.542 177.584 0.001 0.000 1.154 341 A CA 1.179 53.217 52.037 0.002 0.000 0.679 341 A CB -0.559 18.443 19.000 0.003 0.000 0.795 341 A HN 0.494 nan 8.150 nan 0.000 0.458 342 I N -1.642 118.929 120.570 0.002 0.000 2.339 342 I HA -0.135 4.035 4.170 -0.000 0.000 0.245 342 I C 2.540 178.657 176.117 -0.001 0.000 1.096 342 I CA 1.168 62.469 61.300 0.001 0.000 1.408 342 I CB -0.159 37.843 38.000 0.003 0.000 1.092 342 I HN 0.295 nan 8.210 nan 0.000 0.423 343 Q N 1.257 121.057 119.800 -0.001 0.000 2.364 343 Q HA -0.071 4.269 4.340 -0.000 0.000 0.207 343 Q C 1.855 177.854 176.000 -0.003 0.000 0.970 343 Q CA 1.558 57.360 55.803 -0.002 0.000 0.888 343 Q CB -0.293 28.444 28.738 -0.002 0.000 0.951 343 Q HN 0.472 nan 8.270 nan 0.000 0.469 344 G N -0.592 108.206 108.800 -0.002 0.000 2.459 344 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.213 344 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.213 344 G C 1.519 176.416 174.900 -0.005 0.000 1.155 344 G CA 0.384 45.482 45.100 -0.003 0.000 0.811 344 G HN 0.279 nan 8.290 nan 0.000 0.534 345 R N 0.514 121.011 120.500 -0.005 0.000 2.115 345 R HA 0.040 4.380 4.340 -0.000 0.000 0.230 345 R C 2.352 178.647 176.300 -0.008 0.000 1.111 345 R CA 1.194 57.290 56.100 -0.007 0.000 0.976 345 R CB -0.684 29.612 30.300 -0.006 0.000 0.870 345 R HN 0.206 nan 8.270 nan 0.000 0.445 346 V N 0.540 120.450 119.914 -0.007 0.000 2.427 346 V HA -0.124 3.996 4.120 -0.000 0.000 0.248 346 V C 2.311 178.400 176.094 -0.009 0.000 1.051 346 V CA 1.745 64.040 62.300 -0.008 0.000 1.048 346 V CB -0.813 31.006 31.823 -0.006 0.000 0.666 346 V HN 0.505 nan 8.190 nan 0.000 0.456 347 A N -0.697 122.118 122.820 -0.007 0.000 1.933 347 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 347 A C 2.189 179.768 177.584 -0.009 0.000 1.175 347 A CA 1.761 53.793 52.037 -0.007 0.000 0.628 347 A CB -0.414 18.583 19.000 -0.006 0.000 0.814 347 A HN 0.619 nan 8.150 nan 0.000 0.444 348 Q N -0.621 119.174 119.800 -0.009 0.000 2.119 348 Q HA -0.045 4.295 4.340 -0.000 0.000 0.201 348 Q C 1.915 177.907 176.000 -0.014 0.000 0.972 348 Q CA 1.449 57.246 55.803 -0.011 0.000 0.847 348 Q CB -0.239 28.492 28.738 -0.011 0.000 0.903 348 Q HN 0.754 nan 8.270 nan 0.000 0.433 349 I N -0.150 120.411 120.570 -0.015 0.000 2.617 349 I HA -0.154 4.016 4.170 -0.000 0.000 0.256 349 I C 2.374 178.480 176.117 -0.018 0.000 1.167 349 I CA 0.510 61.798 61.300 -0.019 0.000 1.469 349 I CB -0.105 37.882 38.000 -0.021 0.000 1.098 349 I HN 0.070 nan 8.210 nan 0.000 0.436 350 R N 0.894 121.386 120.500 -0.015 0.000 2.152 350 R HA -0.151 4.189 4.340 -0.000 0.000 0.232 350 R C 2.202 178.495 176.300 -0.012 0.000 1.117 350 R CA 1.316 57.408 56.100 -0.013 0.000 0.981 350 R CB 0.019 30.313 30.300 -0.010 0.000 0.870 350 R HN 0.402 nan 8.270 nan 0.000 0.451 351 Q N -0.867 118.926 119.800 -0.012 0.000 2.250 351 Q HA -0.050 4.290 4.340 -0.000 0.000 0.200 351 Q C 1.743 177.736 176.000 -0.012 0.000 0.941 351 Q CA 0.500 56.296 55.803 -0.011 0.000 0.872 351 Q CB 0.402 29.135 28.738 -0.009 0.000 0.965 351 Q HN 0.373 nan 8.270 nan 0.000 0.480 352 Q N 0.391 120.182 119.800 -0.015 0.000 2.248 352 Q HA -0.166 4.174 4.340 -0.000 0.000 0.208 352 Q C 1.914 177.904 176.000 -0.018 0.000 0.984 352 Q CA 1.116 56.908 55.803 -0.018 0.000 0.875 352 Q CB -0.150 28.573 28.738 -0.024 0.000 0.910 352 Q HN 0.506 nan 8.270 nan 0.000 0.433 353 I N 0.732 121.291 120.570 -0.018 0.000 2.617 353 I HA -0.175 3.995 4.170 -0.000 0.000 0.256 353 I C 1.993 178.103 176.117 -0.011 0.000 1.167 353 I CA 0.620 61.910 61.300 -0.017 0.000 1.469 353 I CB -0.188 37.801 38.000 -0.018 0.000 1.098 353 I HN 0.072 nan 8.210 nan 0.000 0.436 354 E N 1.474 121.669 120.200 -0.010 0.000 2.072 354 E HA -0.151 4.199 4.350 -0.000 0.000 0.190 354 E C 1.165 177.762 176.600 -0.005 0.000 0.982 354 E CA 1.010 57.406 56.400 -0.007 0.000 0.803 354 E CB -0.289 29.407 29.700 -0.006 0.000 0.755 354 E HN 0.580 nan 8.360 nan 0.000 0.453 355 E N 1.151 121.347 120.200 -0.006 0.000 2.301 355 E HA 0.254 4.604 4.350 -0.000 0.000 0.195 355 E C -0.245 176.353 176.600 -0.003 0.000 1.171 355 E CA -0.308 56.089 56.400 -0.004 0.000 1.142 355 E CB 0.234 29.930 29.700 -0.005 0.000 1.218 355 E HN 0.076 nan 8.360 nan 0.000 0.448 356 A N 1.237 124.055 122.820 -0.003 0.000 2.409 356 A HA 0.149 4.469 4.320 -0.000 0.000 0.267 356 A C 1.257 178.844 177.584 0.005 0.000 1.127 356 A CA -0.201 51.836 52.037 -0.001 0.000 0.795 356 A CB 0.150 19.149 19.000 -0.003 0.000 1.061 356 A HN 0.282 nan 8.150 nan 0.000 0.502 357 T N -0.900 113.660 114.554 0.010 0.000 3.001 357 T HA 0.361 4.711 4.350 -0.000 0.000 0.251 357 T C 0.654 175.367 174.700 0.021 0.000 1.040 357 T CA 0.593 62.701 62.100 0.013 0.000 0.985 357 T CB -0.046 68.830 68.868 0.012 0.000 1.011 357 T HN 0.779 nan 8.240 nan 0.000 0.509 358 S N -0.766 114.952 115.700 0.030 0.000 2.618 358 S HA 0.416 4.886 4.470 -0.000 0.000 0.277 358 S C -0.402 174.230 174.600 0.053 0.000 1.138 358 S CA -0.579 57.648 58.200 0.046 0.000 0.844 358 S CB 1.698 64.939 63.200 0.067 0.000 1.127 358 S HN 0.060 nan 8.310 nan 0.000 0.474 359 D N 0.592 121.033 120.400 0.068 0.000 2.183 359 D HA -0.023 4.617 4.640 -0.000 0.000 0.203 359 D C 1.200 177.559 176.300 0.098 0.000 0.969 359 D CA 1.111 55.151 54.000 0.067 0.000 0.842 359 D CB -0.122 40.718 40.800 0.066 0.000 0.957 359 D HN 0.578 nan 8.370 nan 0.000 0.484 360 Y N 2.155 122.452 120.300 -0.004 0.000 2.092 360 Y HA -0.189 4.361 4.550 -0.000 0.000 0.282 360 Y C 1.679 177.571 175.900 -0.013 0.000 1.126 360 Y CA 1.736 59.833 58.100 -0.006 0.000 1.111 360 Y CB -0.465 37.991 38.460 -0.006 0.000 0.987 360 Y HN -0.168 nan 8.280 nan 0.000 0.489 361 D N -0.427 120.023 120.400 0.083 0.000 2.220 361 D HA -0.240 4.400 4.640 -0.000 0.000 0.198 361 D C 2.231 178.486 176.300 -0.075 0.000 1.001 361 D CA 1.712 55.700 54.000 -0.020 0.000 0.875 361 D CB -0.201 40.615 40.800 0.028 0.000 0.921 361 D HN 0.291 nan 8.370 nan 0.000 0.454 362 R N 0.393 120.865 120.500 -0.048 0.000 2.064 362 R HA -0.121 4.219 4.340 -0.000 0.000 0.228 362 R C 1.963 178.212 176.300 -0.085 0.000 1.144 362 R CA 1.105 57.176 56.100 -0.049 0.000 0.932 362 R CB 0.071 30.360 30.300 -0.019 0.000 0.833 362 R HN 0.060 nan 8.270 nan 0.000 0.429 363 E N 1.171 121.308 120.200 -0.104 0.000 2.045 363 E HA -0.251 4.098 4.350 -0.000 0.000 0.212 363 E C 1.662 178.165 176.600 -0.161 0.000 1.039 363 E CA 1.419 57.744 56.400 -0.124 0.000 0.860 363 E CB -0.337 29.275 29.700 -0.146 0.000 0.776 363 E HN 0.215 nan 8.360 nan 0.000 0.467 364 K N 0.607 120.843 120.400 -0.273 0.000 2.589 364 K HA -0.062 4.258 4.320 -0.000 0.000 0.195 364 K C 2.032 178.542 176.600 -0.149 0.000 1.040 364 K CA 0.481 56.622 56.287 -0.243 0.000 0.950 364 K CB -0.256 32.026 32.500 -0.363 0.000 0.781 364 K HN 0.269 nan 8.250 nan 0.000 0.486 365 L N -0.664 120.489 121.223 -0.117 0.000 2.500 365 L HA 0.027 4.367 4.340 -0.000 0.000 0.219 365 L C 2.043 178.878 176.870 -0.057 0.000 1.057 365 L CA 0.242 55.035 54.840 -0.077 0.000 0.854 365 L CB -0.067 41.953 42.059 -0.065 0.000 1.078 365 L HN 0.095 nan 8.230 nan 0.000 0.480 366 Q N 0.110 119.876 119.800 -0.056 0.000 2.297 366 Q HA -0.141 4.199 4.340 -0.000 0.000 0.204 366 Q C 1.671 177.650 176.000 -0.036 0.000 0.962 366 Q CA 0.977 56.756 55.803 -0.039 0.000 0.879 366 Q CB 0.220 28.937 28.738 -0.035 0.000 0.947 366 Q HN 0.500 nan 8.270 nan 0.000 0.462 367 E N 0.524 120.696 120.200 -0.047 0.000 2.051 367 E HA -0.071 4.279 4.350 -0.000 0.000 0.189 367 E C 2.017 178.601 176.600 -0.027 0.000 0.979 367 E CA 0.286 56.665 56.400 -0.035 0.000 0.803 367 E CB 0.110 29.783 29.700 -0.046 0.000 0.761 367 E HN 0.177 nan 8.360 nan 0.000 0.451 368 R N 0.717 121.194 120.500 -0.038 0.000 2.105 368 R HA -0.148 4.192 4.340 -0.000 0.000 0.239 368 R C 2.562 178.850 176.300 -0.019 0.000 1.135 368 R CA 1.620 57.702 56.100 -0.030 0.000 0.967 368 R CB -0.363 29.910 30.300 -0.044 0.000 0.861 368 R HN 0.205 nan 8.270 nan 0.000 0.442 369 V N -2.487 117.415 119.914 -0.021 0.000 2.302 369 V HA -0.019 4.101 4.120 -0.000 0.000 0.243 369 V C 2.351 178.440 176.094 -0.009 0.000 1.036 369 V CA 1.432 63.723 62.300 -0.015 0.000 1.020 369 V CB -1.235 30.577 31.823 -0.017 0.000 0.657 369 V HN 0.208 nan 8.190 nan 0.000 0.453 370 A N 1.068 123.882 122.820 -0.010 0.000 1.859 370 A HA -0.324 3.996 4.320 -0.000 0.000 0.218 370 A C 2.319 179.903 177.584 -0.001 0.000 1.209 370 A CA 2.938 54.971 52.037 -0.006 0.000 0.639 370 A CB -0.937 18.058 19.000 -0.008 0.000 0.835 370 A HN 0.625 nan 8.150 nan 0.000 0.450 371 K N -1.378 119.025 120.400 0.005 0.000 2.218 371 K HA -0.124 4.196 4.320 -0.000 0.000 0.205 371 K C 1.712 178.323 176.600 0.017 0.000 1.046 371 K CA 1.423 57.720 56.287 0.016 0.000 0.933 371 K CB -0.242 32.278 32.500 0.034 0.000 0.728 371 K HN 0.405 nan 8.250 nan 0.000 0.454 372 L N -0.801 120.429 121.223 0.011 0.000 2.477 372 L HA 0.120 4.460 4.340 -0.000 0.000 0.220 372 L C 1.690 178.562 176.870 0.004 0.000 1.106 372 L CA 0.751 55.597 54.840 0.010 0.000 0.851 372 L CB 0.271 42.333 42.059 0.005 0.000 0.994 372 L HN 0.026 nan 8.230 nan 0.000 0.462 373 A N -1.326 121.494 122.820 0.001 0.000 1.963 373 A HA 0.348 4.668 4.320 -0.000 0.000 0.207 373 A C 1.815 179.398 177.584 -0.002 0.000 1.243 373 A CA 0.514 52.550 52.037 -0.002 0.000 0.728 373 A CB -0.667 18.331 19.000 -0.004 0.000 0.895 373 A HN 0.315 nan 8.150 nan 0.000 0.467 374 G N 0.261 109.059 108.800 -0.003 0.000 3.474 374 G HA2 0.418 4.378 3.960 -0.000 0.000 0.269 374 G HA3 0.418 4.378 3.960 -0.000 0.000 0.269 374 G C 1.049 175.946 174.900 -0.005 0.000 1.339 374 G CA 0.623 45.720 45.100 -0.005 0.000 1.258 374 G HN 0.788 nan 8.290 nan 0.000 0.560 375 G N 0.202 109.001 108.800 -0.003 0.000 3.304 375 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.859 375 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.859 375 G C 0.149 175.044 174.900 -0.008 0.000 0.958 375 G CA 1.094 46.192 45.100 -0.003 0.000 0.765 375 G HN 0.957 nan 8.290 nan 0.000 1.149 376 V N -0.620 119.287 119.914 -0.011 0.000 2.971 376 V HA 0.710 4.830 4.120 -0.000 0.000 0.309 376 V C 0.386 176.469 176.094 -0.018 0.000 1.130 376 V CA -0.388 61.901 62.300 -0.018 0.000 0.964 376 V CB 1.661 33.471 31.823 -0.022 0.000 1.029 376 V HN 1.418 nan 8.190 nan 0.000 0.427 377 A N 2.581 125.388 122.820 -0.021 0.000 2.309 377 A HA 0.824 5.144 4.320 -0.000 0.000 0.298 377 A C -0.723 176.849 177.584 -0.020 0.000 1.165 377 A CA -0.474 51.552 52.037 -0.019 0.000 0.821 377 A CB 1.190 20.177 19.000 -0.021 0.000 1.102 377 A HN 0.804 nan 8.150 nan 0.000 0.500 378 V N 4.243 124.147 119.914 -0.016 0.000 2.443 378 V HA 0.316 4.436 4.120 -0.000 0.000 0.293 378 V C -0.592 175.494 176.094 -0.012 0.000 1.021 378 V CA -0.103 62.188 62.300 -0.015 0.000 0.848 378 V CB 1.293 33.108 31.823 -0.014 0.000 0.998 378 V HN 0.746 nan 8.190 nan 0.000 0.424 379 I N 5.498 126.060 120.570 -0.012 0.000 2.328 379 I HA 0.408 4.578 4.170 -0.000 0.000 0.287 379 I C 0.120 176.233 176.117 -0.006 0.000 1.012 379 I CA -0.535 60.760 61.300 -0.008 0.000 1.195 379 I CB 1.182 39.177 38.000 -0.008 0.000 1.350 379 I HN 0.443 nan 8.210 nan 0.000 0.464 380 K N 6.175 126.572 120.400 -0.005 0.000 2.266 380 K HA 0.365 4.685 4.320 -0.000 0.000 0.274 380 K C -0.284 176.315 176.600 -0.002 0.000 1.090 380 K CA -0.571 55.714 56.287 -0.003 0.000 0.925 380 K CB 1.217 33.714 32.500 -0.004 0.000 1.225 380 K HN 0.344 nan 8.250 nan 0.000 0.458 381 V N 2.447 122.361 119.914 -0.000 0.000 3.083 381 V HA -0.136 3.983 4.120 -0.000 0.000 0.303 381 V C 1.670 177.765 176.094 0.001 0.000 1.151 381 V CA 0.509 62.810 62.300 0.001 0.000 1.275 381 V CB 0.102 31.927 31.823 0.003 0.000 0.950 381 V HN 0.952 nan 8.190 nan 0.000 0.506 382 G N 1.326 110.127 108.800 0.001 0.000 2.393 382 G HA2 0.506 4.466 3.960 -0.000 0.000 0.268 382 G HA3 0.506 4.466 3.960 -0.000 0.000 0.268 382 G C 0.128 175.029 174.900 0.001 0.000 1.472 382 G CA 0.487 45.588 45.100 0.001 0.000 1.059 382 G HN 1.392 nan 8.290 nan 0.000 0.555 383 A N -3.567 119.254 122.820 0.001 0.000 5.519 383 A HA 0.836 5.156 4.320 -0.000 0.000 0.158 383 A C 0.058 177.643 177.584 0.002 0.000 0.860 383 A CA 0.771 52.809 52.037 0.002 0.000 1.134 383 A CB -0.310 18.691 19.000 0.001 0.000 2.248 383 A HN 2.573 nan 8.150 nan 0.000 1.056 384 A N -0.621 122.200 122.820 0.002 0.000 3.033 384 A HA 0.578 4.898 4.320 -0.000 0.000 0.262 384 A C 1.017 178.602 177.584 0.002 0.000 1.301 384 A CA 1.167 53.205 52.037 0.001 0.000 0.727 384 A CB -2.608 16.392 19.000 0.001 0.000 1.094 384 A HN 3.572 nan 8.150 nan 0.000 0.374 385 T N -2.201 112.354 114.554 0.002 0.000 0.541 385 T HA -0.086 4.264 4.350 -0.000 0.000 0.774 385 T C 0.377 175.079 174.700 0.003 0.000 0.992 385 T CA 1.495 63.596 62.100 0.002 0.000 4.077 385 T CB -1.040 67.830 68.868 0.002 0.000 2.303 385 T HN 1.889 nan 8.240 nan 0.000 0.398 386 E N 0.966 121.168 120.200 0.003 0.000 2.085 386 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 386 E C 2.188 178.791 176.600 0.004 0.000 0.994 386 E CA 2.061 58.463 56.400 0.004 0.000 0.801 386 E CB -0.179 29.523 29.700 0.004 0.000 0.743 386 E HN 0.645 nan 8.360 nan 0.000 0.453 387 V N 1.382 121.298 119.914 0.004 0.000 2.332 387 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 387 V C 2.069 178.166 176.094 0.004 0.000 1.055 387 V CA 2.268 64.570 62.300 0.004 0.000 1.038 387 V CB -0.534 31.291 31.823 0.004 0.000 0.651 387 V HN 0.311 nan 8.190 nan 0.000 0.450 388 E N -0.786 119.416 120.200 0.004 0.000 2.158 388 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 388 E C 2.191 178.794 176.600 0.004 0.000 0.982 388 E CA 0.885 57.288 56.400 0.004 0.000 0.823 388 E CB -0.198 29.504 29.700 0.003 0.000 0.766 388 E HN 0.421 nan 8.360 nan 0.000 0.468 389 M N 1.250 120.852 119.600 0.004 0.000 2.086 389 M HA -0.140 4.340 4.480 -0.000 0.000 0.261 389 M C 1.565 177.868 176.300 0.006 0.000 1.067 389 M CA 1.510 56.812 55.300 0.004 0.000 1.116 389 M CB -0.137 32.465 32.600 0.004 0.000 1.348 389 M HN -0.148 nan 8.290 nan 0.000 0.407 390 K N 0.134 120.538 120.400 0.006 0.000 2.439 390 K HA -0.109 4.211 4.320 -0.000 0.000 0.197 390 K C 1.732 178.336 176.600 0.008 0.000 1.041 390 K CA 0.753 57.045 56.287 0.008 0.000 0.970 390 K CB -0.191 32.314 32.500 0.008 0.000 0.773 390 K HN 0.594 nan 8.250 nan 0.000 0.479 391 E N 0.952 121.156 120.200 0.007 0.000 2.166 391 E HA -0.071 4.279 4.350 -0.000 0.000 0.192 391 E C 1.872 178.477 176.600 0.008 0.000 0.967 391 E CA 0.437 56.841 56.400 0.007 0.000 0.840 391 E CB 0.288 29.992 29.700 0.006 0.000 0.795 391 E HN 0.079 nan 8.360 nan 0.000 0.470 392 K N 1.171 121.575 120.400 0.007 0.000 2.062 392 K HA -0.151 4.169 4.320 -0.000 0.000 0.205 392 K C 2.238 178.844 176.600 0.010 0.000 1.051 392 K CA 1.153 57.445 56.287 0.008 0.000 0.941 392 K CB 0.018 32.522 32.500 0.006 0.000 0.719 392 K HN -0.089 nan 8.250 nan 0.000 0.440 393 K N 0.365 120.771 120.400 0.010 0.000 2.059 393 K HA -0.224 4.096 4.320 -0.000 0.000 0.212 393 K C 1.904 178.514 176.600 0.017 0.000 1.050 393 K CA 1.608 57.902 56.287 0.012 0.000 0.927 393 K CB -0.219 32.287 32.500 0.011 0.000 0.714 393 K HN 0.214 nan 8.250 nan 0.000 0.447 394 A N 1.460 124.290 122.820 0.016 0.000 1.845 394 A HA -0.163 4.157 4.320 -0.000 0.000 0.215 394 A C 2.058 179.654 177.584 0.021 0.000 1.195 394 A CA 1.662 53.710 52.037 0.018 0.000 0.616 394 A CB -0.593 18.415 19.000 0.013 0.000 0.832 394 A HN 0.381 nan 8.150 nan 0.000 0.443 395 R N -0.632 119.878 120.500 0.016 0.000 2.211 395 R HA -0.104 4.236 4.340 -0.000 0.000 0.240 395 R C 1.907 178.220 176.300 0.023 0.000 1.144 395 R CA 1.299 57.409 56.100 0.017 0.000 0.992 395 R CB -0.571 29.736 30.300 0.012 0.000 0.869 395 R HN 0.426 nan 8.270 nan 0.000 0.462 396 V N 0.973 120.901 119.914 0.023 0.000 2.283 396 V HA -0.196 3.924 4.120 -0.000 0.000 0.243 396 V C 1.985 178.102 176.094 0.039 0.000 1.039 396 V CA 1.690 64.004 62.300 0.024 0.000 1.016 396 V CB -0.334 31.499 31.823 0.016 0.000 0.650 396 V HN 0.310 nan 8.190 nan 0.000 0.449 397 E N 0.480 120.710 120.200 0.051 0.000 2.049 397 E HA -0.262 4.088 4.350 -0.000 0.000 0.198 397 E C 2.305 178.992 176.600 0.145 0.000 1.007 397 E CA 1.553 58.010 56.400 0.095 0.000 0.809 397 E CB -0.420 29.339 29.700 0.097 0.000 0.749 397 E HN 0.582 nan 8.360 nan 0.000 0.450 398 A N 1.401 124.273 122.820 0.087 0.000 1.908 398 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 398 A C 2.365 180.001 177.584 0.088 0.000 1.181 398 A CA 1.972 54.050 52.037 0.068 0.000 0.627 398 A CB -0.784 18.230 19.000 0.024 0.000 0.818 398 A HN 0.315 nan 8.150 nan 0.000 0.445 399 A N -0.287 122.570 122.820 0.062 0.000 1.832 399 A HA 0.008 4.328 4.320 -0.000 0.000 0.214 399 A C 2.133 179.751 177.584 0.057 0.000 1.200 399 A CA 1.756 53.823 52.037 0.049 0.000 0.610 399 A CB -0.926 18.092 19.000 0.030 0.000 0.842 399 A HN 0.954 nan 8.150 nan 0.000 0.444 400 L N -0.291 120.959 121.223 0.044 0.000 2.010 400 L HA -0.292 4.048 4.340 -0.000 0.000 0.219 400 L C 2.266 179.144 176.870 0.014 0.000 1.077 400 L CA 2.815 57.662 54.840 0.012 0.000 0.773 400 L CB -1.220 40.830 42.059 -0.015 0.000 0.892 400 L HN 0.574 nan 8.230 nan 0.000 0.436 401 H N -0.128 118.941 119.070 -0.001 0.000 2.355 401 H HA -0.211 4.345 4.556 -0.000 0.000 0.293 401 H C 2.081 177.410 175.328 0.002 0.000 1.060 401 H CA 2.266 58.314 56.048 -0.000 0.000 1.167 401 H CB -0.654 29.108 29.762 0.001 0.000 1.376 401 H HN 0.530 nan 8.280 nan 0.000 0.549 402 A N 0.035 122.959 122.820 0.174 0.000 1.997 402 A HA -0.234 4.086 4.320 -0.000 0.000 0.221 402 A C 2.682 180.300 177.584 0.057 0.000 1.172 402 A CA 2.396 54.488 52.037 0.092 0.000 0.645 402 A CB -1.051 17.986 19.000 0.061 0.000 0.813 402 A HN 0.533 nan 8.150 nan 0.000 0.454 403 T N -0.894 113.686 114.554 0.045 0.000 2.614 403 T HA -0.150 4.200 4.350 -0.000 0.000 0.263 403 T C 2.164 176.872 174.700 0.014 0.000 1.055 403 T CA 1.351 63.464 62.100 0.022 0.000 1.162 403 T CB -0.274 68.601 68.868 0.012 0.000 0.863 403 T HN 0.369 nan 8.240 nan 0.000 0.414 404 R N 1.264 121.765 120.500 0.001 0.000 2.159 404 R HA -0.119 4.221 4.340 -0.000 0.000 0.249 404 R C 2.413 178.718 176.300 0.007 0.000 1.136 404 R CA 1.991 58.084 56.100 -0.012 0.000 0.951 404 R CB -1.228 29.044 30.300 -0.045 0.000 0.876 404 R HN 0.456 nan 8.270 nan 0.000 0.440 405 A N -0.507 122.330 122.820 0.028 0.000 2.216 405 A HA 0.071 4.391 4.320 -0.000 0.000 0.214 405 A C 2.066 179.664 177.584 0.024 0.000 1.160 405 A CA 1.506 53.563 52.037 0.034 0.000 0.725 405 A CB -0.255 18.779 19.000 0.055 0.000 0.784 405 A HN 0.430 nan 8.150 nan 0.000 0.472 406 A N -0.912 121.920 122.820 0.020 0.000 1.924 406 A HA 0.228 4.548 4.320 -0.000 0.000 0.211 406 A C 2.022 179.613 177.584 0.011 0.000 1.198 406 A CA 1.007 53.053 52.037 0.016 0.000 0.657 406 A CB -0.578 18.432 19.000 0.016 0.000 0.852 406 A HN 0.281 nan 8.150 nan 0.000 0.454 407 V N 0.690 120.609 119.914 0.008 0.000 2.324 407 V HA -0.321 3.799 4.120 -0.000 0.000 0.250 407 V C 2.395 178.492 176.094 0.004 0.000 1.060 407 V CA 2.495 64.798 62.300 0.004 0.000 1.042 407 V CB -0.875 30.948 31.823 -0.000 0.000 0.650 407 V HN 0.616 nan 8.190 nan 0.000 0.450 408 E N -0.041 120.163 120.200 0.006 0.000 2.006 408 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 408 E C 1.488 178.092 176.600 0.006 0.000 0.993 408 E CA 1.381 57.784 56.400 0.006 0.000 0.808 408 E CB -0.044 29.661 29.700 0.008 0.000 0.764 408 E HN 0.655 nan 8.360 nan 0.000 0.449 409 E N -0.151 120.054 120.200 0.008 0.000 2.736 409 E HA 0.254 4.604 4.350 -0.000 0.000 0.208 409 E C 0.073 176.677 176.600 0.007 0.000 0.996 409 E CA -0.033 56.371 56.400 0.006 0.000 1.104 409 E CB 1.165 30.867 29.700 0.004 0.000 1.111 409 E HN 0.328 nan 8.360 nan 0.000 0.455 410 G N 0.999 109.804 108.800 0.008 0.000 2.645 410 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.239 410 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.239 410 G C -0.202 174.705 174.900 0.012 0.000 1.331 410 G CA -0.286 44.820 45.100 0.010 0.000 0.890 410 G HN 0.648 nan 8.290 nan 0.000 0.572 411 V N -3.231 116.691 119.914 0.013 0.000 3.147 411 V HA 0.972 5.092 4.120 -0.000 0.000 0.306 411 V C -0.137 175.966 176.094 0.016 0.000 1.209 411 V CA 0.377 62.686 62.300 0.015 0.000 1.023 411 V CB 1.466 33.299 31.823 0.015 0.000 1.059 411 V HN 2.638 nan 8.190 nan 0.000 0.435 412 V N 2.004 121.928 119.914 0.017 0.000 3.178 412 V HA 0.898 5.018 4.120 -0.000 0.000 0.302 412 V C 0.480 176.587 176.094 0.021 0.000 1.262 412 V CA -0.257 62.054 62.300 0.019 0.000 1.030 412 V CB 1.847 33.680 31.823 0.018 0.000 1.074 412 V HN 2.701 nan 8.190 nan 0.000 0.438 413 A N 3.596 126.432 122.820 0.026 0.000 2.500 413 A HA 0.395 4.715 4.320 -0.000 0.000 0.281 413 A C 1.067 178.666 177.584 0.024 0.000 1.092 413 A CA 1.124 53.178 52.037 0.029 0.000 0.909 413 A CB -1.351 17.672 19.000 0.038 0.000 0.958 413 A HN 2.112 nan 8.150 nan 0.000 0.535 414 G N 1.437 110.249 108.800 0.021 0.000 2.486 414 G HA2 0.517 4.477 3.960 -0.000 0.000 0.272 414 G HA3 0.517 4.477 3.960 -0.000 0.000 0.272 414 G C 1.250 176.161 174.900 0.019 0.000 1.426 414 G CA -0.059 45.052 45.100 0.018 0.000 1.058 414 G HN 2.230 nan 8.290 nan 0.000 0.531 415 G N -2.186 106.624 108.800 0.017 0.000 2.249 415 G HA2 0.227 4.187 3.960 -0.000 0.000 0.273 415 G HA3 0.227 4.187 3.960 -0.000 0.000 0.273 415 G C 1.502 176.412 174.900 0.016 0.000 1.036 415 G CA 1.168 46.279 45.100 0.019 0.000 0.824 415 G HN 2.482 nan 8.290 nan 0.000 0.504 416 G N -2.812 105.994 108.800 0.010 0.000 2.253 416 G HA2 -0.197 3.764 3.960 -0.000 0.000 0.251 416 G HA3 -0.197 3.764 3.960 -0.000 0.000 0.251 416 G C 1.938 176.842 174.900 0.007 0.000 0.998 416 G CA 1.853 46.956 45.100 0.004 0.000 0.621 416 G HN 2.056 nan 8.290 nan 0.000 0.524 417 V N -0.908 119.015 119.914 0.015 0.000 2.307 417 V HA 0.278 4.398 4.120 -0.000 0.000 0.245 417 V C 3.103 179.210 176.094 0.022 0.000 1.045 417 V CA 2.301 64.613 62.300 0.020 0.000 1.024 417 V CB -1.760 30.079 31.823 0.027 0.000 0.651 417 V HN 1.705 nan 8.190 nan 0.000 0.449 418 A N 1.627 124.461 122.820 0.022 0.000 1.900 418 A HA -0.299 4.021 4.320 -0.000 0.000 0.225 418 A C 2.277 179.872 177.584 0.018 0.000 1.414 418 A CA 3.209 55.259 52.037 0.021 0.000 0.702 418 A CB -1.137 17.873 19.000 0.017 0.000 0.845 418 A HN 0.625 nan 8.150 nan 0.000 0.478 419 L N -0.939 120.292 121.223 0.013 0.000 1.976 419 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 419 L C 2.623 179.500 176.870 0.012 0.000 1.071 419 L CA 1.736 56.583 54.840 0.011 0.000 0.746 419 L CB -0.819 41.245 42.059 0.007 0.000 0.890 419 L HN 0.448 nan 8.230 nan 0.000 0.432 420 I N -0.320 120.258 120.570 0.012 0.000 2.315 420 I HA -0.306 3.864 4.170 -0.000 0.000 0.251 420 I C 2.813 178.943 176.117 0.022 0.000 1.125 420 I CA 0.936 62.245 61.300 0.014 0.000 1.392 420 I CB -0.453 37.555 38.000 0.013 0.000 1.065 420 I HN 0.286 nan 8.210 nan 0.000 0.424 421 R N 1.480 121.997 120.500 0.028 0.000 2.082 421 R HA -0.108 4.232 4.340 -0.000 0.000 0.228 421 R C 2.192 178.507 176.300 0.026 0.000 1.140 421 R CA 1.859 57.980 56.100 0.035 0.000 0.920 421 R CB -1.113 29.211 30.300 0.040 0.000 0.828 421 R HN 0.095 nan 8.270 nan 0.000 0.430 422 V N 1.286 121.212 119.914 0.020 0.000 2.218 422 V HA -0.343 3.777 4.120 -0.000 0.000 0.251 422 V C 2.269 178.370 176.094 0.013 0.000 1.057 422 V CA 2.612 64.921 62.300 0.015 0.000 1.022 422 V CB -1.258 30.571 31.823 0.010 0.000 0.645 422 V HN 0.627 nan 8.190 nan 0.000 0.451 423 A N 0.243 123.070 122.820 0.011 0.000 2.245 423 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 423 A C 2.318 179.909 177.584 0.011 0.000 1.171 423 A CA 2.088 54.130 52.037 0.009 0.000 0.688 423 A CB -0.629 18.375 19.000 0.007 0.000 0.781 423 A HN 0.803 nan 8.150 nan 0.000 0.479 424 S N -1.083 114.626 115.700 0.015 0.000 2.478 424 S HA 0.054 4.524 4.470 -0.000 0.000 0.222 424 S C 1.659 176.268 174.600 0.014 0.000 1.008 424 S CA 0.685 58.895 58.200 0.017 0.000 0.928 424 S CB -0.008 63.207 63.200 0.024 0.000 0.781 424 S HN 0.623 nan 8.310 nan 0.000 0.518 425 K N 1.434 121.842 120.400 0.014 0.000 2.044 425 K HA 0.267 4.587 4.320 -0.000 0.000 0.204 425 K C 1.262 177.866 176.600 0.008 0.000 1.045 425 K CA 0.751 57.045 56.287 0.011 0.000 0.951 425 K CB -0.444 32.063 32.500 0.011 0.000 0.738 425 K HN 0.297 nan 8.250 nan 0.000 0.443 426 L N 1.766 122.993 121.223 0.007 0.000 2.885 426 L HA -0.051 4.289 4.340 -0.000 0.000 0.258 426 L C 1.752 178.624 176.870 0.004 0.000 1.146 426 L CA -0.320 54.523 54.840 0.005 0.000 0.922 426 L CB -0.756 41.305 42.059 0.004 0.000 1.138 426 L HN 0.208 nan 8.230 nan 0.000 0.431 427 A N -0.618 122.205 122.820 0.005 0.000 2.172 427 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 427 A C 1.780 179.366 177.584 0.003 0.000 1.154 427 A CA 1.232 53.272 52.037 0.004 0.000 0.701 427 A CB -0.154 18.849 19.000 0.005 0.000 0.789 427 A HN 0.401 nan 8.150 nan 0.000 0.465 428 D N -1.196 119.205 120.400 0.003 0.000 2.392 428 D HA 0.100 4.740 4.640 -0.000 0.000 0.206 428 D C 0.358 176.659 176.300 0.001 0.000 1.046 428 D CA -0.221 53.780 54.000 0.002 0.000 0.865 428 D CB 0.018 40.819 40.800 0.002 0.000 0.969 428 D HN 0.348 nan 8.370 nan 0.000 0.509 429 L N 2.277 123.501 121.223 0.001 0.000 2.578 429 L HA -0.007 4.333 4.340 -0.000 0.000 0.279 429 L C 0.185 177.055 176.870 0.000 0.000 1.227 429 L CA 0.781 55.621 54.840 0.001 0.000 0.900 429 L CB 0.069 42.129 42.059 0.001 0.000 1.144 429 L HN -0.154 nan 8.230 nan 0.000 0.496 430 R N 3.132 123.632 120.500 0.000 0.000 2.817 430 R HA 0.718 5.058 4.340 -0.000 0.000 0.268 430 R C -0.249 176.051 176.300 -0.001 0.000 1.027 430 R CA -0.340 55.760 56.100 -0.000 0.000 0.928 430 R CB 1.457 31.757 30.300 -0.000 0.000 1.228 430 R HN 0.792 nan 8.270 nan 0.000 0.469 431 G N -0.357 108.443 108.800 -0.001 0.000 3.212 431 G HA2 0.225 4.185 3.960 -0.000 0.000 0.188 431 G HA3 0.225 4.185 3.960 -0.000 0.000 0.188 431 G C 0.025 174.925 174.900 -0.001 0.000 1.254 431 G CA -0.188 44.911 45.100 -0.001 0.000 0.957 431 G HN 0.412 nan 8.290 nan 0.000 0.596 432 Q N -0.386 119.413 119.800 -0.001 0.000 2.204 432 Q HA 0.110 4.450 4.340 -0.000 0.000 0.198 432 Q C -0.066 175.933 176.000 -0.002 0.000 0.946 432 Q CA 0.689 56.491 55.803 -0.002 0.000 0.859 432 Q CB 0.139 28.876 28.738 -0.002 0.000 0.946 432 Q HN 0.588 nan 8.270 nan 0.000 0.474 433 N N -1.442 117.257 118.700 -0.002 0.000 2.321 433 N HA 0.406 5.146 4.740 -0.000 0.000 0.290 433 N C -0.027 175.482 175.510 -0.002 0.000 1.212 433 N CA -0.033 53.015 53.050 -0.002 0.000 0.767 433 N CB 0.702 39.188 38.487 -0.002 0.000 1.494 433 N HN -0.072 nan 8.380 nan 0.000 0.479 434 A N 0.403 123.222 122.820 -0.001 0.000 1.903 434 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 434 A C 1.012 178.596 177.584 -0.001 0.000 1.191 434 A CA 2.040 54.077 52.037 -0.001 0.000 0.638 434 A CB -1.002 17.997 19.000 -0.001 0.000 0.823 434 A HN 0.755 nan 8.150 nan 0.000 0.451 435 D N -1.151 119.248 120.400 -0.002 0.000 2.411 435 D HA -0.063 4.577 4.640 -0.000 0.000 0.226 435 D C 1.641 177.940 176.300 -0.001 0.000 0.988 435 D CA 0.986 54.986 54.000 -0.002 0.000 0.938 435 D CB -0.032 40.767 40.800 -0.002 0.000 0.883 435 D HN 0.731 nan 8.370 nan 0.000 0.525 436 Q N -1.031 118.768 119.800 -0.001 0.000 2.404 436 Q HA 0.095 4.435 4.340 -0.000 0.000 0.262 436 Q C 1.394 177.394 176.000 -0.001 0.000 0.846 436 Q CA -0.234 55.569 55.803 -0.001 0.000 0.978 436 Q CB 0.540 29.278 28.738 -0.001 0.000 1.156 436 Q HN 0.029 nan 8.270 nan 0.000 0.548 437 N N 0.191 118.891 118.700 -0.001 0.000 2.166 437 N HA -0.120 4.620 4.740 -0.000 0.000 0.186 437 N C 1.677 177.187 175.510 0.000 0.000 1.019 437 N CA 1.062 54.112 53.050 -0.000 0.000 0.856 437 N CB 0.038 38.525 38.487 -0.000 0.000 0.993 437 N HN 0.045 nan 8.380 nan 0.000 0.426 438 V N 0.720 120.634 119.914 -0.000 0.000 2.453 438 V HA -0.069 4.051 4.120 -0.000 0.000 0.247 438 V C 2.310 178.405 176.094 0.000 0.000 1.048 438 V CA 1.734 64.034 62.300 0.000 0.000 1.049 438 V CB -1.014 30.809 31.823 -0.000 0.000 0.672 438 V HN 0.317 nan 8.190 nan 0.000 0.457 439 G N -0.516 108.284 108.800 0.000 0.000 2.535 439 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.218 439 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.218 439 G C 1.387 176.287 174.900 0.001 0.000 1.122 439 G CA 0.774 45.874 45.100 0.000 0.000 0.769 439 G HN 0.512 nan 8.290 nan 0.000 0.549 440 I N -0.534 120.037 120.570 0.001 0.000 2.834 440 I HA 0.052 4.222 4.170 -0.000 0.000 0.239 440 I C 2.386 178.504 176.117 0.001 0.000 1.073 440 I CA 0.166 61.467 61.300 0.001 0.000 1.459 440 I CB -0.122 37.878 38.000 0.000 0.000 1.288 440 I HN -0.164 nan 8.210 nan 0.000 0.455 441 K N 1.029 121.430 120.400 0.001 0.000 2.163 441 K HA -0.195 4.125 4.320 -0.000 0.000 0.210 441 K C 2.070 178.671 176.600 0.001 0.000 1.048 441 K CA 1.219 57.507 56.287 0.001 0.000 0.928 441 K CB -1.012 31.488 32.500 0.001 0.000 0.716 441 K HN 0.196 nan 8.250 nan 0.000 0.459 442 V N 1.240 121.154 119.914 0.001 0.000 2.261 442 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 442 V C 2.402 178.497 176.094 0.002 0.000 1.047 442 V CA 2.061 64.362 62.300 0.002 0.000 1.015 442 V CB -0.718 31.106 31.823 0.002 0.000 0.642 442 V HN 0.375 nan 8.190 nan 0.000 0.446 443 A N -0.932 121.889 122.820 0.002 0.000 2.070 443 A HA -0.086 4.234 4.320 -0.000 0.000 0.220 443 A C 2.124 179.709 177.584 0.002 0.000 1.159 443 A CA 1.488 53.526 52.037 0.003 0.000 0.656 443 A CB -0.351 18.650 19.000 0.002 0.000 0.800 443 A HN 0.542 nan 8.150 nan 0.000 0.453 444 L N -1.621 119.603 121.223 0.002 0.000 2.071 444 L HA 0.001 4.341 4.340 -0.000 0.000 0.201 444 L C 2.613 179.484 176.870 0.002 0.000 1.076 444 L CA 1.181 56.023 54.840 0.003 0.000 0.755 444 L CB -0.580 41.481 42.059 0.003 0.000 0.915 444 L HN 0.365 nan 8.230 nan 0.000 0.445 445 R N 0.918 121.419 120.500 0.002 0.000 2.276 445 R HA -0.176 4.163 4.340 -0.000 0.000 0.243 445 R C 1.632 177.932 176.300 -0.000 0.000 1.161 445 R CA 1.301 57.402 56.100 0.001 0.000 1.007 445 R CB -0.089 30.212 30.300 0.000 0.000 0.867 445 R HN 0.384 nan 8.270 nan 0.000 0.472 446 A N -0.434 122.386 122.820 0.001 0.000 2.307 446 A HA 0.145 4.465 4.320 -0.000 0.000 0.218 446 A C 1.418 179.003 177.584 0.002 0.000 1.228 446 A CA -0.092 51.946 52.037 0.001 0.000 0.857 446 A CB 0.099 19.101 19.000 0.003 0.000 0.897 446 A HN 0.317 nan 8.150 nan 0.000 0.495 447 M N -1.431 118.170 119.600 0.002 0.000 2.461 447 M HA 0.131 4.611 4.480 -0.000 0.000 0.255 447 M C 1.033 177.333 176.300 -0.000 0.000 1.137 447 M CA 0.403 55.705 55.300 0.002 0.000 1.086 447 M CB 0.208 32.810 32.600 0.003 0.000 1.356 447 M HN 0.327 nan 8.290 nan 0.000 0.487 448 E N 1.097 121.295 120.200 -0.003 0.000 2.511 448 E HA 0.054 4.404 4.350 -0.000 0.000 0.196 448 E C 1.755 178.348 176.600 -0.013 0.000 1.066 448 E CA 0.192 56.587 56.400 -0.007 0.000 0.871 448 E CB 0.167 29.863 29.700 -0.007 0.000 0.863 448 E HN 0.459 nan 8.360 nan 0.000 0.520 449 A N 2.133 124.947 122.820 -0.009 0.000 1.826 449 A HA -0.055 4.264 4.320 -0.000 0.000 0.214 449 A C -0.378 177.196 177.584 -0.015 0.000 1.212 449 A CA 0.740 52.770 52.037 -0.012 0.000 0.605 449 A CB -1.482 17.515 19.000 -0.006 0.000 0.861 449 A HN 0.077 nan 8.150 nan 0.000 0.447 450 P HA -0.217 nan 4.420 nan 0.000 0.219 450 P C 1.669 178.957 177.300 -0.021 0.000 1.158 450 P CA 1.476 64.569 63.100 -0.011 0.000 0.895 450 P CB -0.071 31.628 31.700 -0.003 0.000 0.792 451 L N -0.727 120.480 121.223 -0.026 0.000 1.961 451 L HA -0.090 4.250 4.340 -0.000 0.000 0.209 451 L C 2.402 179.230 176.870 -0.069 0.000 1.075 451 L CA 1.751 56.563 54.840 -0.047 0.000 0.749 451 L CB -0.907 41.123 42.059 -0.048 0.000 0.890 451 L HN -0.287 nan 8.230 nan 0.000 0.433 452 R N -0.988 119.475 120.500 -0.062 0.000 2.257 452 R HA -0.308 4.032 4.340 -0.000 0.000 0.265 452 R C 2.233 178.496 176.300 -0.062 0.000 1.191 452 R CA 1.901 57.961 56.100 -0.066 0.000 1.010 452 R CB -0.331 29.944 30.300 -0.042 0.000 0.883 452 R HN 0.490 nan 8.270 nan 0.000 0.473 453 Q N 0.508 120.279 119.800 -0.048 0.000 2.013 453 Q HA 0.001 4.341 4.340 -0.000 0.000 0.195 453 Q C 1.891 177.864 176.000 -0.045 0.000 0.974 453 Q CA 1.396 57.175 55.803 -0.039 0.000 0.826 453 Q CB -0.052 28.671 28.738 -0.025 0.000 0.895 453 Q HN 0.331 nan 8.270 nan 0.000 0.448 454 I N -0.025 120.519 120.570 -0.044 0.000 2.315 454 I HA -0.241 3.929 4.170 -0.000 0.000 0.251 454 I C 1.925 178.003 176.117 -0.064 0.000 1.125 454 I CA 0.862 62.139 61.300 -0.038 0.000 1.392 454 I CB -0.577 37.409 38.000 -0.023 0.000 1.065 454 I HN 0.018 nan 8.210 nan 0.000 0.424 455 V N 0.883 120.724 119.914 -0.121 0.000 2.913 455 V HA -0.197 3.923 4.120 -0.000 0.000 0.260 455 V C 2.208 178.235 176.094 -0.111 0.000 1.098 455 V CA 1.292 63.477 62.300 -0.192 0.000 1.121 455 V CB -0.320 31.334 31.823 -0.283 0.000 0.714 455 V HN 0.365 nan 8.190 nan 0.000 0.487 456 L N 0.178 121.358 121.223 -0.072 0.000 2.249 456 L HA 0.180 4.520 4.340 -0.000 0.000 0.207 456 L C 1.805 178.657 176.870 -0.029 0.000 1.090 456 L CA 1.332 56.145 54.840 -0.046 0.000 0.802 456 L CB -0.472 41.565 42.059 -0.037 0.000 0.947 456 L HN 0.262 nan 8.230 nan 0.000 0.453 457 N N -1.270 117.415 118.700 -0.026 0.000 2.567 457 N HA -0.049 4.691 4.740 -0.000 0.000 0.195 457 N C 0.612 176.118 175.510 -0.007 0.000 1.242 457 N CA 0.664 53.706 53.050 -0.014 0.000 0.884 457 N CB -0.351 38.130 38.487 -0.010 0.000 1.007 457 N HN 0.371 nan 8.380 nan 0.000 0.450 458 C N -1.532 117.762 119.300 -0.010 0.000 3.386 458 C HA 0.394 4.854 4.460 -0.000 0.000 0.279 458 C C 1.644 176.635 174.990 0.001 0.000 1.508 458 C CA -0.364 58.657 59.018 0.004 0.000 1.801 458 C CB -0.438 27.316 27.740 0.023 0.000 2.798 458 C HN 0.478 nan 8.230 nan 0.000 0.605 459 G N 1.762 110.557 108.800 -0.008 0.000 2.200 459 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.267 459 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.267 459 G C -0.223 174.672 174.900 -0.007 0.000 0.993 459 G CA 0.583 45.679 45.100 -0.006 0.000 0.701 459 G HN 0.576 nan 8.290 nan 0.000 0.524 460 E N 1.014 121.204 120.200 -0.017 0.000 2.174 460 E HA 0.278 4.628 4.350 -0.000 0.000 0.282 460 E C 0.453 177.026 176.600 -0.046 0.000 0.992 460 E CA -0.514 55.874 56.400 -0.020 0.000 0.803 460 E CB 0.738 30.428 29.700 -0.017 0.000 1.090 460 E HN 0.580 nan 8.360 nan 0.000 0.396 461 E N 4.304 124.489 120.200 -0.026 0.000 2.757 461 E HA -0.096 4.254 4.350 -0.000 0.000 0.238 461 E C -1.556 175.011 176.600 -0.055 0.000 1.057 461 E CA -0.829 55.554 56.400 -0.028 0.000 0.952 461 E CB 0.220 29.915 29.700 -0.008 0.000 0.934 461 E HN 0.211 nan 8.360 nan 0.000 0.518 462 P HA -0.146 nan 4.420 nan 0.000 0.219 462 P C 1.031 178.296 177.300 -0.058 0.000 1.150 462 P CA 0.833 63.879 63.100 -0.089 0.000 0.814 462 P CB 0.301 31.956 31.700 -0.074 0.000 0.787 463 S N -0.302 115.377 115.700 -0.035 0.000 2.390 463 S HA -0.185 4.285 4.470 -0.000 0.000 0.234 463 S C 1.929 176.522 174.600 -0.011 0.000 1.063 463 S CA 1.917 60.107 58.200 -0.018 0.000 1.108 463 S CB -1.602 61.592 63.200 -0.010 0.000 0.975 463 S HN -0.001 nan 8.310 nan 0.000 0.442 464 V N 1.172 121.082 119.914 -0.006 0.000 2.278 464 V HA -0.068 4.052 4.120 -0.000 0.000 0.238 464 V C 2.354 178.465 176.094 0.028 0.000 1.039 464 V CA 1.199 63.510 62.300 0.018 0.000 1.017 464 V CB -0.977 30.870 31.823 0.039 0.000 0.657 464 V HN 0.360 nan 8.190 nan 0.000 0.462 465 V N 0.760 120.676 119.914 0.002 0.000 2.357 465 V HA -0.390 3.730 4.120 -0.000 0.000 0.257 465 V C 2.616 178.711 176.094 0.002 0.000 1.082 465 V CA 2.458 64.749 62.300 -0.016 0.000 1.078 465 V CB -1.324 30.274 31.823 -0.375 0.000 0.663 465 V HN 0.587 nan 8.190 nan 0.000 0.455 466 A N 0.277 123.076 122.820 -0.035 0.000 1.832 466 A HA -0.242 4.078 4.320 -0.000 0.000 0.214 466 A C 2.056 179.649 177.584 0.014 0.000 1.204 466 A CA 1.894 53.921 52.037 -0.018 0.000 0.606 466 A CB -0.925 18.058 19.000 -0.028 0.000 0.849 466 A HN 0.607 nan 8.150 nan 0.000 0.445 467 N N -0.558 118.150 118.700 0.013 0.000 2.111 467 N HA -0.197 4.543 4.740 -0.000 0.000 0.197 467 N C 1.598 177.126 175.510 0.030 0.000 1.011 467 N CA 2.769 55.830 53.050 0.019 0.000 0.880 467 N CB -0.524 37.972 38.487 0.016 0.000 1.031 467 N HN 0.394 nan 8.380 nan 0.000 0.444 468 T N -0.837 113.739 114.554 0.038 0.000 2.857 468 T HA -0.012 4.338 4.350 -0.000 0.000 0.266 468 T C 1.840 176.568 174.700 0.046 0.000 1.048 468 T CA 1.094 63.206 62.100 0.020 0.000 1.139 468 T CB -0.232 68.617 68.868 -0.032 0.000 0.874 468 T HN 0.073 nan 8.240 nan 0.000 0.455 469 V N 1.417 121.364 119.914 0.055 0.000 2.515 469 V HA -0.128 3.992 4.120 -0.000 0.000 0.250 469 V C 2.387 178.537 176.094 0.093 0.000 1.058 469 V CA 1.449 63.770 62.300 0.035 0.000 1.064 469 V CB -0.441 31.398 31.823 0.028 0.000 0.675 469 V HN 0.455 nan 8.190 nan 0.000 0.461 470 K N 0.439 120.880 120.400 0.068 0.000 2.062 470 K HA -0.036 4.284 4.320 -0.000 0.000 0.205 470 K C 1.984 178.627 176.600 0.071 0.000 1.051 470 K CA 1.215 57.538 56.287 0.061 0.000 0.941 470 K CB -0.557 31.965 32.500 0.036 0.000 0.719 470 K HN 0.531 nan 8.250 nan 0.000 0.440 471 G N 0.723 109.563 108.800 0.067 0.000 2.959 471 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.203 471 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.203 471 G C 0.415 175.348 174.900 0.055 0.000 1.176 471 G CA 0.609 45.739 45.100 0.050 0.000 0.860 471 G HN 0.369 nan 8.290 nan 0.000 0.507 472 G N -0.459 108.403 108.800 0.103 0.000 3.291 472 G HA2 0.620 4.580 3.960 -0.000 0.000 0.173 472 G HA3 0.620 4.580 3.960 -0.000 0.000 0.173 472 G C -1.320 173.622 174.900 0.070 0.000 1.099 472 G CA 0.136 45.275 45.100 0.066 0.000 0.794 472 G HN 0.404 nan 8.290 nan 0.000 0.651 473 D N -3.027 117.427 120.400 0.092 0.000 2.926 473 D HA 0.525 5.165 4.640 -0.000 0.000 0.282 473 D C 0.390 176.745 176.300 0.092 0.000 1.201 473 D CA 0.689 54.734 54.000 0.075 0.000 0.735 473 D CB 0.363 41.179 40.800 0.027 0.000 1.257 473 D HN 1.972 nan 8.370 nan 0.000 0.428 474 G N 0.158 109.002 108.800 0.074 0.000 2.542 474 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.235 474 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.235 474 G C -0.159 174.803 174.900 0.103 0.000 1.286 474 G CA 0.040 45.185 45.100 0.073 0.000 0.904 474 G HN 0.788 nan 8.290 nan 0.000 0.577 475 N N -0.038 118.726 118.700 0.107 0.000 2.362 475 N HA 0.169 4.909 4.740 -0.000 0.000 0.204 475 N C 0.129 175.736 175.510 0.161 0.000 1.166 475 N CA -0.154 52.960 53.050 0.107 0.000 0.831 475 N CB 0.160 38.693 38.487 0.076 0.000 1.008 475 N HN 0.487 nan 8.380 nan 0.000 0.472 476 Y N 1.516 121.844 120.300 0.048 0.000 2.605 476 Y HA 0.266 4.816 4.550 -0.000 0.000 0.336 476 Y C 0.592 176.557 175.900 0.107 0.000 1.111 476 Y CA -0.207 57.934 58.100 0.068 0.000 1.422 476 Y CB -0.031 38.457 38.460 0.046 0.000 1.193 476 Y HN -0.032 nan 8.280 nan 0.000 0.526 477 G N 4.611 113.312 108.800 -0.165 0.000 3.247 477 G HA2 0.315 4.275 3.960 -0.000 0.000 0.226 477 G HA3 0.315 4.275 3.960 -0.000 0.000 0.226 477 G C -2.211 172.649 174.900 -0.066 0.000 1.220 477 G CA -0.883 44.133 45.100 -0.141 0.000 0.875 477 G HN 0.594 nan 8.290 nan 0.000 0.606 478 Y N 0.893 121.108 120.300 -0.141 0.000 2.373 478 Y HA 0.547 5.097 4.550 -0.000 0.000 0.336 478 Y C -0.561 175.209 175.900 -0.216 0.000 0.979 478 Y CA -1.195 56.733 58.100 -0.287 0.000 1.080 478 Y CB 1.760 40.004 38.460 -0.360 0.000 1.190 478 Y HN 0.442 nan 8.280 nan 0.000 0.446 479 N N 4.454 122.883 118.700 -0.452 0.000 2.430 479 N HA 0.199 4.939 4.740 -0.000 0.000 0.265 479 N C 0.556 175.878 175.510 -0.313 0.000 1.100 479 N CA 0.774 53.661 53.050 -0.271 0.000 0.961 479 N CB 1.801 40.138 38.487 -0.250 0.000 1.075 479 N HN 0.980 nan 8.380 nan 0.000 0.478 480 A N 4.579 127.416 122.820 0.028 0.000 1.858 480 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 480 A C 2.069 179.662 177.584 0.014 0.000 1.190 480 A CA 2.046 54.173 52.037 0.150 0.000 0.617 480 A CB -1.048 18.014 19.000 0.103 0.000 0.827 480 A HN 0.760 nan 8.150 nan 0.000 0.443 481 A N -0.458 122.341 122.820 -0.035 0.000 1.851 481 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 481 A C 2.483 180.015 177.584 -0.087 0.000 1.195 481 A CA 2.913 54.922 52.037 -0.047 0.000 0.622 481 A CB -1.528 17.449 19.000 -0.039 0.000 0.831 481 A HN 0.903 nan 8.150 nan 0.000 0.444 482 T N -3.364 111.106 114.554 -0.141 0.000 3.035 482 T HA 0.019 4.369 4.350 -0.000 0.000 0.268 482 T C 0.534 175.098 174.700 -0.227 0.000 1.109 482 T CA 1.127 63.133 62.100 -0.158 0.000 1.119 482 T CB -0.420 68.357 68.868 -0.153 0.000 0.900 482 T HN 0.599 nan 8.240 nan 0.000 0.503 483 E N 0.499 120.478 120.200 -0.368 0.000 2.971 483 E HA -0.131 4.219 4.350 -0.000 0.000 0.278 483 E C -0.774 175.469 176.600 -0.596 0.000 1.009 483 E CA 0.795 56.910 56.400 -0.474 0.000 0.862 483 E CB -1.147 28.461 29.700 -0.155 0.000 1.436 483 E HN 0.696 nan 8.360 nan 0.000 0.434 484 E N -0.453 119.353 120.200 -0.657 0.000 2.317 484 E HA 0.398 4.748 4.350 -0.000 0.000 0.270 484 E C -0.227 176.068 176.600 -0.508 0.000 0.885 484 E CA -0.629 55.504 56.400 -0.445 0.000 0.760 484 E CB 0.995 30.591 29.700 -0.174 0.000 1.227 484 E HN -0.016 nan 8.360 nan 0.000 0.434 485 Y N 0.475 120.661 120.300 -0.190 0.000 2.314 485 Y HA 0.580 5.130 4.550 -0.000 0.000 0.359 485 Y C 1.508 177.399 175.900 -0.015 0.000 1.360 485 Y CA 0.763 58.780 58.100 -0.137 0.000 1.697 485 Y CB 0.535 38.950 38.460 -0.075 0.000 1.630 485 Y HN 0.727 nan 8.280 nan 0.000 0.583 486 G N -0.302 108.666 108.800 0.279 0.000 2.302 486 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.276 486 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.276 486 G C -1.610 173.437 174.900 0.245 0.000 1.316 486 G CA -1.025 44.249 45.100 0.289 0.000 0.988 486 G HN 0.637 nan 8.290 nan 0.000 0.479 487 N N 1.316 120.119 118.700 0.171 0.000 2.399 487 N HA 0.135 4.875 4.740 -0.000 0.000 0.259 487 N C 1.913 177.468 175.510 0.076 0.000 1.160 487 N CA -0.418 52.710 53.050 0.130 0.000 0.946 487 N CB 0.548 39.091 38.487 0.093 0.000 1.156 487 N HN 0.436 nan 8.380 nan 0.000 0.489 488 M N 3.341 122.981 119.600 0.067 0.000 2.267 488 M HA -0.166 4.314 4.480 -0.000 0.000 0.263 488 M C 1.469 177.788 176.300 0.031 0.000 1.063 488 M CA 0.968 56.290 55.300 0.037 0.000 1.090 488 M CB -0.443 32.177 32.600 0.034 0.000 1.392 488 M HN 0.543 nan 8.290 nan 0.000 0.422 489 I N 0.130 120.723 120.570 0.038 0.000 2.277 489 I HA -0.203 3.967 4.170 -0.000 0.000 0.243 489 I C 1.887 178.019 176.117 0.024 0.000 1.094 489 I CA 1.199 62.516 61.300 0.029 0.000 1.393 489 I CB -1.278 36.740 38.000 0.030 0.000 1.078 489 I HN 0.215 nan 8.210 nan 0.000 0.417 490 D N 0.841 121.258 120.400 0.028 0.000 2.117 490 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 490 D C 2.171 178.481 176.300 0.016 0.000 0.987 490 D CA 1.110 55.123 54.000 0.023 0.000 0.829 490 D CB -0.141 40.676 40.800 0.028 0.000 0.961 490 D HN 0.286 nan 8.370 nan 0.000 0.460 491 M N -0.303 119.307 119.600 0.016 0.000 2.700 491 M HA 0.051 4.531 4.480 -0.000 0.000 0.249 491 M C 1.028 177.328 176.300 0.000 0.000 1.082 491 M CA 0.708 56.011 55.300 0.004 0.000 1.077 491 M CB -0.027 32.571 32.600 -0.004 0.000 1.477 491 M HN 0.077 nan 8.290 nan 0.000 0.529 492 G N 2.028 110.832 108.800 0.006 0.000 2.160 492 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.251 492 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.251 492 G C 0.001 174.904 174.900 0.005 0.000 1.008 492 G CA -0.141 44.962 45.100 0.006 0.000 0.724 492 G HN 0.541 nan 8.290 nan 0.000 0.514 493 I N 0.745 121.319 120.570 0.007 0.000 2.371 493 I HA 0.585 4.755 4.170 -0.000 0.000 0.282 493 I C 0.127 176.253 176.117 0.014 0.000 1.031 493 I CA -0.867 60.438 61.300 0.008 0.000 1.180 493 I CB 0.687 38.690 38.000 0.005 0.000 1.336 493 I HN 0.264 nan 8.210 nan 0.000 0.467 494 L N 3.810 125.041 121.223 0.014 0.000 2.710 494 L HA 0.695 5.035 4.340 -0.000 0.000 0.260 494 L C -1.759 175.120 176.870 0.016 0.000 0.993 494 L CA -0.806 54.044 54.840 0.016 0.000 0.877 494 L CB 1.762 43.831 42.059 0.017 0.000 1.461 494 L HN 0.126 nan 8.230 nan 0.000 0.413 495 D N -0.165 120.245 120.400 0.016 0.000 2.575 495 D HA 0.527 5.167 4.640 -0.000 0.000 0.236 495 D C -2.817 173.494 176.300 0.018 0.000 1.075 495 D CA -1.283 52.727 54.000 0.017 0.000 0.860 495 D CB 2.203 43.013 40.800 0.016 0.000 1.475 495 D HN 0.354 nan 8.370 nan 0.000 0.474 496 P HA 0.000 nan 4.420 nan 0.000 0.267 496 P C 0.874 178.185 177.300 0.017 0.000 1.201 496 P CA 0.155 63.267 63.100 0.020 0.000 0.775 496 P CB 0.611 32.327 31.700 0.026 0.000 0.854 497 T N 1.024 115.586 114.554 0.014 0.000 2.777 497 T HA -0.145 4.205 4.350 -0.000 0.000 0.266 497 T C 1.641 176.345 174.700 0.007 0.000 1.040 497 T CA 1.086 63.192 62.100 0.010 0.000 1.141 497 T CB -0.381 68.491 68.868 0.007 0.000 0.868 497 T HN 0.480 nan 8.240 nan 0.000 0.444 498 K N 0.924 121.329 120.400 0.010 0.000 2.049 498 K HA -0.229 4.091 4.320 -0.000 0.000 0.219 498 K C 2.394 179.000 176.600 0.010 0.000 1.056 498 K CA 2.226 58.518 56.287 0.008 0.000 0.946 498 K CB -0.629 31.883 32.500 0.019 0.000 0.723 498 K HN 0.318 nan 8.250 nan 0.000 0.453 499 V N -0.293 119.634 119.914 0.021 0.000 2.261 499 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 499 V C 1.770 177.875 176.094 0.019 0.000 1.047 499 V CA 2.537 64.853 62.300 0.027 0.000 1.015 499 V CB -1.039 30.802 31.823 0.030 0.000 0.642 499 V HN 0.421 nan 8.190 nan 0.000 0.446 500 T N 0.122 114.684 114.554 0.014 0.000 2.946 500 T HA -0.144 4.206 4.350 -0.000 0.000 0.271 500 T C 1.785 176.485 174.700 0.001 0.000 1.104 500 T CA 1.960 64.067 62.100 0.010 0.000 1.114 500 T CB -0.371 68.503 68.868 0.010 0.000 0.867 500 T HN 0.695 nan 8.240 nan 0.000 0.513 501 R N 0.885 121.379 120.500 -0.009 0.000 2.046 501 R HA 0.008 4.348 4.340 -0.000 0.000 0.223 501 R C 2.623 178.889 176.300 -0.055 0.000 1.179 501 R CA 1.261 57.342 56.100 -0.032 0.000 0.952 501 R CB -0.512 29.765 30.300 -0.039 0.000 0.843 501 R HN 0.146 nan 8.270 nan 0.000 0.439 502 S N 0.983 116.644 115.700 -0.065 0.000 2.390 502 S HA -0.316 4.154 4.470 -0.000 0.000 0.234 502 S C 2.054 176.644 174.600 -0.017 0.000 1.063 502 S CA 1.819 59.953 58.200 -0.109 0.000 1.108 502 S CB -0.648 62.561 63.200 0.016 0.000 0.975 502 S HN 0.616 nan 8.310 nan 0.000 0.442 503 A N 0.794 123.646 122.820 0.053 0.000 1.917 503 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 503 A C 2.146 179.760 177.584 0.051 0.000 1.182 503 A CA 1.802 53.887 52.037 0.081 0.000 0.633 503 A CB -0.670 18.362 19.000 0.054 0.000 0.819 503 A HN 0.439 nan 8.150 nan 0.000 0.448 504 L N -0.430 120.799 121.223 0.010 0.000 2.156 504 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 504 L C 2.401 179.265 176.870 -0.011 0.000 1.095 504 L CA 2.022 56.862 54.840 0.002 0.000 0.770 504 L CB -0.551 41.503 42.059 -0.009 0.000 0.914 504 L HN 0.514 nan 8.230 nan 0.000 0.439 505 Q N -1.736 118.027 119.800 -0.062 0.000 2.008 505 Q HA -0.169 4.171 4.340 -0.000 0.000 0.196 505 Q C 2.191 178.173 176.000 -0.030 0.000 0.973 505 Q CA 1.659 57.401 55.803 -0.102 0.000 0.826 505 Q CB -0.477 28.119 28.738 -0.237 0.000 0.894 505 Q HN 0.417 nan 8.270 nan 0.000 0.439 506 Y N 1.036 121.338 120.300 0.002 0.000 2.193 506 Y HA -0.255 4.295 4.550 -0.000 0.000 0.285 506 Y C 2.458 178.359 175.900 0.001 0.000 1.166 506 Y CA 0.961 59.062 58.100 0.002 0.000 1.181 506 Y CB -0.964 37.497 38.460 0.002 0.000 0.976 506 Y HN 0.184 nan 8.280 nan 0.000 0.520 507 A N -0.042 122.875 122.820 0.161 0.000 1.883 507 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 507 A C 2.542 180.165 177.584 0.065 0.000 1.186 507 A CA 2.159 54.249 52.037 0.089 0.000 0.624 507 A CB -1.297 17.738 19.000 0.059 0.000 0.822 507 A HN 0.405 nan 8.150 nan 0.000 0.444 508 A N -0.678 122.174 122.820 0.052 0.000 1.865 508 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 508 A C 2.457 180.067 177.584 0.043 0.000 1.191 508 A CA 2.380 54.437 52.037 0.034 0.000 0.623 508 A CB -1.255 17.755 19.000 0.015 0.000 0.826 508 A HN 0.682 nan 8.150 nan 0.000 0.444 509 S N -0.620 115.119 115.700 0.065 0.000 2.427 509 S HA -0.224 4.246 4.470 -0.000 0.000 0.231 509 S C 1.904 176.538 174.600 0.056 0.000 1.045 509 S CA 2.380 60.624 58.200 0.073 0.000 1.154 509 S CB -0.936 62.346 63.200 0.136 0.000 1.093 509 S HN 0.401 nan 8.310 nan 0.000 0.422 510 V N 2.828 122.779 119.914 0.062 0.000 2.215 510 V HA -0.285 3.835 4.120 -0.000 0.000 0.249 510 V C 2.928 179.037 176.094 0.026 0.000 1.054 510 V CA 2.434 64.757 62.300 0.037 0.000 1.012 510 V CB -1.696 30.146 31.823 0.031 0.000 0.639 510 V HN 0.747 nan 8.190 nan 0.000 0.448 511 A N 0.192 123.027 122.820 0.026 0.000 1.954 511 A HA -0.290 4.030 4.320 -0.000 0.000 0.222 511 A C 2.351 179.944 177.584 0.014 0.000 1.199 511 A CA 2.720 54.768 52.037 0.017 0.000 0.657 511 A CB -1.543 17.467 19.000 0.017 0.000 0.823 511 A HN 0.667 nan 8.150 nan 0.000 0.463 512 G N -0.182 108.629 108.800 0.017 0.000 2.587 512 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 512 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 512 G C 1.514 176.420 174.900 0.010 0.000 1.240 512 G CA 1.200 46.308 45.100 0.013 0.000 0.794 512 G HN 0.502 nan 8.290 nan 0.000 0.580 513 L N -0.211 121.020 121.223 0.013 0.000 2.054 513 L HA -0.271 4.069 4.340 -0.000 0.000 0.220 513 L C 3.147 180.020 176.870 0.004 0.000 1.081 513 L CA 1.914 56.760 54.840 0.010 0.000 0.780 513 L CB -0.584 41.483 42.059 0.013 0.000 0.893 513 L HN 0.277 nan 8.230 nan 0.000 0.438 514 M N -0.624 118.978 119.600 0.004 0.000 2.159 514 M HA -0.179 4.301 4.480 -0.000 0.000 0.263 514 M C 2.213 178.511 176.300 -0.003 0.000 1.063 514 M CA 1.701 57.000 55.300 -0.002 0.000 1.110 514 M CB -0.305 32.294 32.600 -0.001 0.000 1.374 514 M HN 0.235 nan 8.290 nan 0.000 0.411 515 I N -0.406 120.164 120.570 0.000 0.000 2.830 515 I HA -0.139 4.031 4.170 -0.000 0.000 0.263 515 I C 1.313 177.428 176.117 -0.002 0.000 1.230 515 I CA 0.975 62.275 61.300 -0.001 0.000 1.480 515 I CB -0.531 37.469 38.000 0.001 0.000 1.095 515 I HN 0.316 nan 8.210 nan 0.000 0.455 516 T N -2.352 112.201 114.554 -0.001 0.000 3.268 516 T HA 0.287 4.637 4.350 -0.000 0.000 0.258 516 T C 0.178 174.876 174.700 -0.003 0.000 0.966 516 T CA -0.410 61.689 62.100 -0.003 0.000 0.952 516 T CB -0.221 68.646 68.868 -0.001 0.000 1.132 516 T HN -0.103 nan 8.240 nan 0.000 0.536 517 T N 1.390 115.941 114.554 -0.004 0.000 2.841 517 T HA 0.465 4.815 4.350 -0.000 0.000 0.283 517 T C 0.242 174.943 174.700 0.001 0.000 1.000 517 T CA -0.656 61.441 62.100 -0.004 0.000 0.977 517 T CB 2.174 71.035 68.868 -0.011 0.000 0.979 517 T HN 0.101 nan 8.240 nan 0.000 0.446 518 E N 0.308 120.516 120.200 0.014 0.000 2.541 518 E HA 0.190 4.540 4.350 -0.000 0.000 0.219 518 E C -0.093 176.587 176.600 0.133 0.000 0.922 518 E CA 0.096 56.519 56.400 0.037 0.000 1.095 518 E CB 0.957 30.652 29.700 -0.008 0.000 1.112 518 E HN 0.549 nan 8.360 nan 0.000 0.516 519 C N 1.077 120.451 119.300 0.124 0.000 2.686 519 C HA 0.677 5.137 4.460 -0.000 0.000 0.318 519 C C -1.240 173.774 174.990 0.040 0.000 1.160 519 C CA -0.569 58.589 59.018 0.234 0.000 1.396 519 C CB 0.289 28.244 27.740 0.359 0.000 1.924 519 C HN 0.107 nan 8.230 nan 0.000 0.471 520 M N 5.435 124.974 119.600 -0.101 0.000 2.326 520 M HA 0.550 5.030 4.480 -0.000 0.000 0.306 520 M C -1.126 175.112 176.300 -0.103 0.000 1.054 520 M CA -0.623 54.566 55.300 -0.186 0.000 0.922 520 M CB 2.110 34.410 32.600 -0.500 0.000 1.632 520 M HN 0.362 nan 8.290 nan 0.000 0.436 521 V N 1.839 121.773 119.914 0.033 0.000 2.357 521 V HA 0.493 4.613 4.120 -0.000 0.000 0.281 521 V C -0.318 175.865 176.094 0.149 0.000 1.015 521 V CA -0.301 62.058 62.300 0.098 0.000 0.827 521 V CB 1.723 33.587 31.823 0.068 0.000 1.018 521 V HN 0.969 nan 8.190 nan 0.000 0.432 522 T N 2.434 117.121 114.554 0.221 0.000 2.907 522 T HA 0.484 4.834 4.350 -0.000 0.000 0.290 522 T C -0.515 174.202 174.700 0.028 0.000 1.066 522 T CA -0.483 61.693 62.100 0.127 0.000 1.012 522 T CB 1.776 70.728 68.868 0.140 0.000 1.184 522 T HN 0.625 nan 8.240 nan 0.000 0.522 523 D N 0.952 121.346 120.400 -0.010 0.000 2.354 523 D HA 0.311 4.951 4.640 -0.000 0.000 0.238 523 D C -0.287 175.967 176.300 -0.077 0.000 1.250 523 D CA -0.061 53.919 54.000 -0.033 0.000 0.911 523 D CB 0.273 41.055 40.800 -0.030 0.000 1.163 523 D HN 0.184 nan 8.370 nan 0.000 0.456 524 L N 2.352 123.536 121.223 -0.066 0.000 2.350 524 L HA 0.281 4.621 4.340 -0.000 0.000 0.275 524 L C -1.759 175.057 176.870 -0.090 0.000 1.099 524 L CA -1.919 52.870 54.840 -0.084 0.000 0.808 524 L CB 0.824 42.850 42.059 -0.056 0.000 1.149 524 L HN 0.314 nan 8.230 nan 0.000 0.442 525 P HA -0.072 nan 4.420 nan 0.000 0.314 525 P C -0.813 176.446 177.300 -0.068 0.000 1.521 525 P CA 0.791 63.831 63.100 -0.101 0.000 0.754 525 P CB -0.225 31.406 31.700 -0.115 0.000 1.692 526 K N 0.000 120.366 120.400 -0.056 0.000 2.780 526 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 526 K CA 0.000 56.262 56.287 -0.041 0.000 0.838 526 K CB 0.000 32.478 32.500 -0.036 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543