REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3fbh_1_E DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNKDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.581 177.584 -0.006 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 2 A CB 0.000 18.992 19.000 -0.014 0.000 0.831 3 A N 2.551 125.370 122.820 -0.003 0.000 2.520 3 A HA 0.539 4.859 4.320 -0.000 0.000 0.245 3 A C 0.247 177.830 177.584 -0.002 0.000 1.072 3 A CA 0.398 52.436 52.037 0.002 0.000 0.761 3 A CB -0.010 18.994 19.000 0.006 0.000 1.004 3 A HN 0.593 nan 8.150 nan 0.000 0.499 4 K N 1.624 122.028 120.400 0.005 0.000 2.267 4 K HA 0.405 4.725 4.320 -0.000 0.000 0.246 4 K C -1.357 175.260 176.600 0.028 0.000 0.954 4 K CA -0.700 55.588 56.287 0.001 0.000 0.824 4 K CB 2.038 34.536 32.500 -0.003 0.000 1.167 4 K HN 0.749 nan 8.250 nan 0.000 0.431 5 D N 1.386 121.808 120.400 0.037 0.000 2.344 5 D HA 0.329 4.969 4.640 -0.000 0.000 0.239 5 D C -1.173 175.261 176.300 0.224 0.000 1.064 5 D CA -0.581 53.494 54.000 0.125 0.000 0.829 5 D CB 1.235 42.135 40.800 0.166 0.000 1.129 5 D HN 0.076 nan 8.370 nan 0.000 0.506 6 V N 4.206 124.210 119.914 0.150 0.000 2.495 6 V HA 0.531 4.651 4.120 -0.000 0.000 0.298 6 V C 0.161 176.175 176.094 -0.133 0.000 1.031 6 V CA -0.773 61.532 62.300 0.009 0.000 0.871 6 V CB 1.752 33.520 31.823 -0.090 0.000 0.988 6 V HN 0.416 nan 8.190 nan 0.000 0.432 7 K N 3.262 123.444 120.400 -0.364 0.000 2.426 7 K HA 0.756 5.076 4.320 -0.000 0.000 0.251 7 K C -1.668 174.619 176.600 -0.521 0.000 0.941 7 K CA -0.513 55.526 56.287 -0.414 0.000 0.808 7 K CB 2.642 34.736 32.500 -0.676 0.000 1.265 7 K HN 0.473 nan 8.250 nan 0.000 0.432 8 F N -0.359 119.533 119.950 -0.097 0.000 2.631 8 F HA 0.462 4.989 4.527 -0.000 0.000 0.328 8 F C 1.290 177.057 175.800 -0.056 0.000 1.067 8 F CA 0.026 57.995 58.000 -0.052 0.000 0.969 8 F CB 1.413 40.393 39.000 -0.033 0.000 1.332 8 F HN 0.798 nan 8.300 nan 0.000 0.490 9 G N 1.363 110.280 108.800 0.196 0.000 2.661 9 G HA2 -0.439 3.521 3.960 -0.000 0.000 0.327 9 G HA3 -0.439 3.521 3.960 -0.000 0.000 0.327 9 G C 1.155 176.079 174.900 0.039 0.000 1.320 9 G CA 0.904 46.061 45.100 0.094 0.000 0.997 9 G HN 0.785 nan 8.290 nan 0.000 0.543 10 N N 0.780 119.495 118.700 0.024 0.000 2.188 10 N HA -0.125 4.615 4.740 -0.000 0.000 0.184 10 N C 1.895 177.394 175.510 -0.017 0.000 1.018 10 N CA 2.014 55.065 53.050 0.003 0.000 0.858 10 N CB -0.392 38.097 38.487 0.003 0.000 0.989 10 N HN 0.570 nan 8.380 nan 0.000 0.426 11 D N 0.199 120.585 120.400 -0.024 0.000 2.228 11 D HA -0.085 4.555 4.640 -0.000 0.000 0.203 11 D C 1.616 177.843 176.300 -0.121 0.000 0.988 11 D CA 1.335 55.296 54.000 -0.064 0.000 0.864 11 D CB -0.120 40.641 40.800 -0.064 0.000 0.928 11 D HN 0.377 nan 8.370 nan 0.000 0.469 12 A N -0.154 122.599 122.820 -0.113 0.000 1.975 12 A HA 0.021 4.341 4.320 -0.000 0.000 0.215 12 A C 2.240 179.790 177.584 -0.056 0.000 1.170 12 A CA 0.551 52.502 52.037 -0.142 0.000 0.656 12 A CB -0.198 18.729 19.000 -0.122 0.000 0.821 12 A HN 0.153 nan 8.150 nan 0.000 0.449 13 R N 0.081 120.564 120.500 -0.028 0.000 2.115 13 R HA -0.092 4.248 4.340 -0.000 0.000 0.226 13 R C 2.070 178.367 176.300 -0.004 0.000 1.100 13 R CA 1.513 57.610 56.100 -0.005 0.000 0.980 13 R CB -0.688 29.612 30.300 0.001 0.000 0.875 13 R HN 0.553 nan 8.270 nan 0.000 0.445 14 V N -0.194 119.711 119.914 -0.015 0.000 2.343 14 V HA -0.178 3.942 4.120 -0.000 0.000 0.247 14 V C 1.986 178.079 176.094 -0.001 0.000 1.051 14 V CA 1.429 63.723 62.300 -0.010 0.000 1.036 14 V CB -0.448 31.364 31.823 -0.018 0.000 0.654 14 V HN 0.059 nan 8.190 nan 0.000 0.451 15 K N -0.020 120.376 120.400 -0.007 0.000 2.057 15 K HA 0.039 4.359 4.320 -0.000 0.000 0.206 15 K C 2.230 178.863 176.600 0.056 0.000 1.050 15 K CA 1.837 58.143 56.287 0.031 0.000 0.935 15 K CB -0.516 32.010 32.500 0.043 0.000 0.715 15 K HN 0.504 nan 8.250 nan 0.000 0.439 16 M N 0.275 119.905 119.600 0.050 0.000 2.086 16 M HA -0.195 4.285 4.480 -0.000 0.000 0.261 16 M C 2.233 178.551 176.300 0.030 0.000 1.067 16 M CA 1.212 56.540 55.300 0.047 0.000 1.116 16 M CB -0.331 32.292 32.600 0.040 0.000 1.348 16 M HN 0.023 nan 8.290 nan 0.000 0.407 17 L N 0.419 121.655 121.223 0.022 0.000 1.955 17 L HA -0.231 4.109 4.340 -0.000 0.000 0.213 17 L C 2.464 179.344 176.870 0.017 0.000 1.072 17 L CA 1.993 56.843 54.840 0.016 0.000 0.755 17 L CB -0.815 41.251 42.059 0.011 0.000 0.888 17 L HN 0.161 nan 8.230 nan 0.000 0.432 18 R N -0.154 120.357 120.500 0.017 0.000 2.162 18 R HA -0.222 4.118 4.340 -0.000 0.000 0.245 18 R C 2.165 178.477 176.300 0.020 0.000 1.129 18 R CA 2.166 58.277 56.100 0.018 0.000 0.940 18 R CB -1.517 28.797 30.300 0.022 0.000 0.875 18 R HN 0.557 nan 8.270 nan 0.000 0.437 19 G N -0.573 108.244 108.800 0.028 0.000 2.529 19 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.219 19 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.219 19 G C 1.437 176.346 174.900 0.016 0.000 1.177 19 G CA 1.820 46.936 45.100 0.026 0.000 0.773 19 G HN 0.463 nan 8.290 nan 0.000 0.573 20 V N -1.144 118.779 119.914 0.016 0.000 2.719 20 V HA -0.011 4.109 4.120 -0.000 0.000 0.252 20 V C 2.217 178.317 176.094 0.010 0.000 1.065 20 V CA 1.777 64.085 62.300 0.012 0.000 1.086 20 V CB -0.449 31.382 31.823 0.014 0.000 0.700 20 V HN 0.204 nan 8.190 nan 0.000 0.467 21 N N 1.514 120.220 118.700 0.010 0.000 2.080 21 N HA -0.097 4.643 4.740 -0.000 0.000 0.189 21 N C 1.927 177.441 175.510 0.006 0.000 1.036 21 N CA 1.951 55.006 53.050 0.008 0.000 0.846 21 N CB -0.629 37.862 38.487 0.008 0.000 1.015 21 N HN 0.495 nan 8.380 nan 0.000 0.423 22 V N 2.135 122.053 119.914 0.007 0.000 2.220 22 V HA -0.253 3.867 4.120 -0.000 0.000 0.250 22 V C 2.507 178.603 176.094 0.002 0.000 1.056 22 V CA 1.632 63.935 62.300 0.004 0.000 1.016 22 V CB -0.884 30.942 31.823 0.005 0.000 0.639 22 V HN 0.191 nan 8.190 nan 0.000 0.446 23 L N 0.682 121.906 121.223 0.002 0.000 1.990 23 L HA -0.166 4.174 4.340 -0.000 0.000 0.213 23 L C 2.469 179.339 176.870 0.000 0.000 1.072 23 L CA 2.581 57.420 54.840 -0.000 0.000 0.755 23 L CB -1.076 40.982 42.059 -0.001 0.000 0.889 23 L HN 0.262 nan 8.230 nan 0.000 0.432 24 A N -1.008 121.814 122.820 0.003 0.000 1.877 24 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 24 A C 2.002 179.588 177.584 0.003 0.000 1.186 24 A CA 1.997 54.036 52.037 0.004 0.000 0.620 24 A CB -0.949 18.055 19.000 0.006 0.000 0.822 24 A HN 0.546 nan 8.150 nan 0.000 0.443 25 D N -0.432 119.970 120.400 0.003 0.000 2.264 25 D HA 0.089 4.729 4.640 -0.000 0.000 0.208 25 D C 1.951 178.252 176.300 0.001 0.000 0.966 25 D CA 1.198 55.199 54.000 0.003 0.000 0.864 25 D CB -0.135 40.667 40.800 0.003 0.000 0.933 25 D HN 0.439 nan 8.370 nan 0.000 0.499 26 A N -0.245 122.576 122.820 0.000 0.000 2.081 26 A HA 0.046 4.366 4.320 -0.000 0.000 0.214 26 A C 2.162 179.745 177.584 -0.002 0.000 1.158 26 A CA 0.380 52.416 52.037 -0.001 0.000 0.724 26 A CB 0.122 19.121 19.000 -0.002 0.000 0.826 26 A HN 0.133 nan 8.150 nan 0.000 0.463 27 V N 0.883 120.797 119.914 -0.002 0.000 2.992 27 V HA -0.126 3.994 4.120 -0.000 0.000 0.250 27 V C 2.331 178.425 176.094 -0.001 0.000 1.090 27 V CA 1.660 63.959 62.300 -0.002 0.000 1.101 27 V CB -0.252 31.569 31.823 -0.003 0.000 0.743 27 V HN 0.771 nan 8.190 nan 0.000 0.468 28 K N 1.446 121.847 120.400 0.001 0.000 2.211 28 K HA -0.089 4.231 4.320 -0.000 0.000 0.203 28 K C 1.881 178.482 176.600 0.002 0.000 1.050 28 K CA 1.694 57.983 56.287 0.003 0.000 0.945 28 K CB -0.754 31.748 32.500 0.004 0.000 0.732 28 K HN 0.473 nan 8.250 nan 0.000 0.451 29 V N 0.416 120.330 119.914 0.001 0.000 2.759 29 V HA -0.155 3.965 4.120 -0.000 0.000 0.256 29 V C 2.302 178.396 176.094 0.001 0.000 1.080 29 V CA 1.838 64.139 62.300 0.002 0.000 1.101 29 V CB -1.149 30.675 31.823 0.001 0.000 0.698 29 V HN 0.540 nan 8.190 nan 0.000 0.477 30 T N -2.414 112.139 114.554 -0.000 0.000 3.081 30 T HA 0.224 4.574 4.350 -0.000 0.000 0.255 30 T C 0.604 175.303 174.700 -0.001 0.000 1.113 30 T CA -0.038 62.061 62.100 -0.002 0.000 1.082 30 T CB -0.199 68.667 68.868 -0.003 0.000 0.939 30 T HN 0.354 nan 8.240 nan 0.000 0.506 31 L N 2.347 123.570 121.223 0.000 0.000 2.439 31 L HA 0.553 4.893 4.340 -0.000 0.000 0.269 31 L C 0.861 177.732 176.870 0.002 0.000 1.179 31 L CA 1.666 56.507 54.840 0.001 0.000 0.828 31 L CB -0.180 41.881 42.059 0.004 0.000 1.106 31 L HN 0.722 nan 8.230 nan 0.000 0.467 32 G N 3.588 112.388 108.800 0.000 0.000 2.712 32 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.683 32 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.683 32 G C -2.176 172.719 174.900 -0.007 0.000 1.320 32 G CA -0.364 44.735 45.100 -0.001 0.000 0.847 32 G HN 0.534 nan 8.290 nan 0.000 0.553 33 P HA 0.120 nan 4.420 nan 0.000 0.225 33 P C 0.833 178.125 177.300 -0.012 0.000 1.156 33 P CA 1.043 64.131 63.100 -0.020 0.000 0.787 33 P CB 0.198 31.877 31.700 -0.036 0.000 0.802 34 K N 0.506 120.904 120.400 -0.003 0.000 3.095 34 K HA 0.345 4.665 4.320 -0.000 0.000 0.220 34 K C 0.706 177.308 176.600 0.004 0.000 1.216 34 K CA -0.173 56.115 56.287 0.002 0.000 1.167 34 K CB 0.452 32.959 32.500 0.011 0.000 1.199 34 K HN 0.026 nan 8.250 nan 0.000 0.458 35 G N 1.003 109.803 108.800 0.000 0.000 2.503 35 G HA2 0.257 4.217 3.960 -0.000 0.000 0.257 35 G HA3 0.257 4.217 3.960 -0.000 0.000 0.257 35 G C 0.024 174.924 174.900 0.000 0.000 1.214 35 G CA -0.473 44.627 45.100 0.000 0.000 0.839 35 G HN 0.130 nan 8.290 nan 0.000 0.559 36 R N 0.161 120.662 120.500 0.001 0.000 2.758 36 R HA 0.271 4.611 4.340 -0.000 0.000 0.265 36 R C -0.530 175.770 176.300 -0.001 0.000 1.016 36 R CA -0.977 55.123 56.100 0.000 0.000 1.040 36 R CB 0.878 31.179 30.300 0.001 0.000 1.152 36 R HN 0.586 nan 8.270 nan 0.000 0.503 37 N N -0.420 118.279 118.700 -0.001 0.000 2.419 37 N HA 0.245 4.985 4.740 -0.000 0.000 0.264 37 N C -0.848 174.661 175.510 -0.001 0.000 1.031 37 N CA -0.323 52.727 53.050 -0.001 0.000 0.951 37 N CB 1.412 39.899 38.487 -0.001 0.000 1.101 37 N HN 0.119 nan 8.380 nan 0.000 0.488 38 V N 2.596 122.509 119.914 -0.002 0.000 2.472 38 V HA 0.328 4.448 4.120 -0.000 0.000 0.290 38 V C -0.077 176.016 176.094 -0.002 0.000 1.037 38 V CA -0.795 61.504 62.300 -0.002 0.000 0.908 38 V CB 1.676 33.497 31.823 -0.003 0.000 0.985 38 V HN 0.331 nan 8.190 nan 0.000 0.454 39 V N 6.436 126.348 119.914 -0.002 0.000 2.294 39 V HA 0.378 4.498 4.120 -0.000 0.000 0.272 39 V C -0.080 176.013 176.094 -0.003 0.000 1.027 39 V CA -0.383 61.916 62.300 -0.002 0.000 0.823 39 V CB 0.924 32.746 31.823 -0.001 0.000 1.030 39 V HN 0.613 nan 8.190 nan 0.000 0.457 40 L N 3.775 124.996 121.223 -0.002 0.000 2.281 40 L HA 0.425 4.765 4.340 -0.000 0.000 0.285 40 L C 0.232 177.100 176.870 -0.002 0.000 1.074 40 L CA -0.235 54.603 54.840 -0.004 0.000 0.817 40 L CB 0.933 42.990 42.059 -0.003 0.000 1.168 40 L HN 0.517 nan 8.230 nan 0.000 0.434 41 D N 3.750 124.147 120.400 -0.006 0.000 2.308 41 D HA 0.196 4.836 4.640 -0.000 0.000 0.251 41 D C -0.436 175.859 176.300 -0.007 0.000 1.127 41 D CA -0.026 53.969 54.000 -0.008 0.000 0.876 41 D CB 0.872 41.663 40.800 -0.015 0.000 1.176 41 D HN 0.305 nan 8.370 nan 0.000 0.446 42 K N 1.162 121.562 120.400 -0.000 0.000 2.156 42 K HA 0.248 4.568 4.320 -0.000 0.000 0.254 42 K C 1.281 177.866 176.600 -0.025 0.000 0.950 42 K CA -0.592 55.699 56.287 0.007 0.000 0.849 42 K CB 1.489 34.016 32.500 0.045 0.000 1.100 42 K HN 0.388 nan 8.250 nan 0.000 0.434 43 S N 1.286 116.940 115.700 -0.077 0.000 2.382 43 S HA -0.070 4.400 4.470 -0.000 0.000 0.228 43 S C 0.453 174.892 174.600 -0.267 0.000 1.027 43 S CA 0.802 58.871 58.200 -0.219 0.000 0.991 43 S CB -0.260 62.724 63.200 -0.361 0.000 0.823 43 S HN 0.377 nan 8.310 nan 0.000 0.469 44 F N 2.672 122.619 119.950 -0.005 0.000 2.404 44 F HA 0.634 5.161 4.527 -0.000 0.000 0.354 44 F C 1.402 177.199 175.800 -0.004 0.000 1.122 44 F CA 0.122 58.119 58.000 -0.004 0.000 1.080 44 F CB 0.940 39.937 39.000 -0.004 0.000 1.131 44 F HN 0.466 nan 8.300 nan 0.000 0.471 45 G N 1.786 110.688 108.800 0.171 0.000 2.528 45 G HA2 0.026 3.986 3.960 -0.000 0.000 0.262 45 G HA3 0.026 3.986 3.960 -0.000 0.000 0.262 45 G C -0.370 174.564 174.900 0.057 0.000 1.200 45 G CA -0.410 44.748 45.100 0.097 0.000 0.951 45 G HN 1.090 nan 8.290 nan 0.000 0.566 46 A N 1.019 123.865 122.820 0.043 0.000 2.279 46 A HA 0.820 5.140 4.320 -0.000 0.000 0.303 46 A C -1.951 175.648 177.584 0.025 0.000 1.108 46 A CA -0.405 51.648 52.037 0.027 0.000 0.830 46 A CB 0.434 19.446 19.000 0.020 0.000 1.106 46 A HN 0.704 nan 8.150 nan 0.000 0.493 47 P HA 0.317 nan 4.420 nan 0.000 0.275 47 P C -0.451 176.855 177.300 0.010 0.000 1.228 47 P CA -0.045 63.062 63.100 0.011 0.000 0.786 47 P CB 0.578 32.281 31.700 0.005 0.000 0.927 48 T N 2.778 117.338 114.554 0.009 0.000 2.884 48 T HA 0.374 4.724 4.350 -0.000 0.000 0.298 48 T C 0.427 175.129 174.700 0.003 0.000 0.998 48 T CA 0.019 62.122 62.100 0.006 0.000 1.124 48 T CB -0.154 68.718 68.868 0.005 0.000 0.931 48 T HN 0.188 nan 8.240 nan 0.000 0.531 49 I N 2.512 123.083 120.570 0.002 0.000 2.410 49 I HA 0.428 4.598 4.170 -0.000 0.000 0.286 49 I C 0.387 176.503 176.117 -0.001 0.000 1.009 49 I CA -0.441 60.859 61.300 0.000 0.000 1.111 49 I CB 1.848 39.849 38.000 0.001 0.000 1.262 49 I HN 0.554 nan 8.210 nan 0.000 0.443 50 T N 4.134 118.687 114.554 -0.002 0.000 2.901 50 T HA 0.483 4.833 4.350 -0.000 0.000 0.293 50 T C 0.067 174.765 174.700 -0.004 0.000 1.084 50 T CA -0.546 61.552 62.100 -0.004 0.000 1.008 50 T CB 1.585 70.450 68.868 -0.005 0.000 1.170 50 T HN 0.625 nan 8.240 nan 0.000 0.509 51 K N 1.327 121.724 120.400 -0.005 0.000 2.592 51 K HA 0.228 4.548 4.320 -0.000 0.000 0.203 51 K C -0.919 175.677 176.600 -0.007 0.000 1.070 51 K CA -0.327 55.957 56.287 -0.005 0.000 1.062 51 K CB 0.594 33.091 32.500 -0.005 0.000 0.814 51 K HN 0.396 nan 8.250 nan 0.000 0.502 52 D N 0.003 120.398 120.400 -0.008 0.000 2.280 52 D HA 0.145 4.785 4.640 -0.000 0.000 0.243 52 D C 1.173 177.467 176.300 -0.011 0.000 1.129 52 D CA -0.090 53.904 54.000 -0.010 0.000 0.848 52 D CB 1.474 42.267 40.800 -0.012 0.000 1.107 52 D HN 0.189 nan 8.370 nan 0.000 0.471 53 G N 2.419 111.213 108.800 -0.011 0.000 2.422 53 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.218 53 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.218 53 G C 1.519 176.411 174.900 -0.014 0.000 1.146 53 G CA 0.796 45.890 45.100 -0.011 0.000 0.769 53 G HN 0.480 nan 8.290 nan 0.000 0.547 54 V N 1.254 121.157 119.914 -0.019 0.000 2.255 54 V HA -0.215 3.905 4.120 -0.000 0.000 0.247 54 V C 3.047 179.128 176.094 -0.022 0.000 1.051 54 V CA 2.331 64.617 62.300 -0.024 0.000 1.018 54 V CB -0.921 30.883 31.823 -0.030 0.000 0.641 54 V HN 0.355 nan 8.190 nan 0.000 0.445 55 S N -0.302 115.387 115.700 -0.019 0.000 2.419 55 S HA -0.124 4.346 4.470 -0.000 0.000 0.233 55 S C 1.884 176.476 174.600 -0.015 0.000 1.016 55 S CA 1.351 59.541 58.200 -0.017 0.000 0.974 55 S CB -0.122 63.070 63.200 -0.014 0.000 0.786 55 S HN 0.414 nan 8.310 nan 0.000 0.492 56 V N 1.368 121.274 119.914 -0.013 0.000 2.446 56 V HA -0.002 4.118 4.120 -0.000 0.000 0.244 56 V C 2.512 178.598 176.094 -0.013 0.000 1.039 56 V CA 1.414 63.707 62.300 -0.011 0.000 1.045 56 V CB -0.989 30.828 31.823 -0.009 0.000 0.681 56 V HN 0.506 nan 8.190 nan 0.000 0.459 57 A N -0.320 122.491 122.820 -0.015 0.000 2.119 57 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 57 A C 2.371 179.943 177.584 -0.020 0.000 1.153 57 A CA 1.299 53.326 52.037 -0.016 0.000 0.692 57 A CB -0.495 18.495 19.000 -0.018 0.000 0.799 57 A HN 0.415 nan 8.150 nan 0.000 0.458 58 R N -0.402 120.086 120.500 -0.021 0.000 2.119 58 R HA -0.036 4.304 4.340 -0.000 0.000 0.222 58 R C 0.963 177.250 176.300 -0.022 0.000 1.088 58 R CA 1.029 57.114 56.100 -0.024 0.000 0.984 58 R CB 0.023 30.307 30.300 -0.026 0.000 0.884 58 R HN 0.401 nan 8.270 nan 0.000 0.447 59 E N 0.368 120.557 120.200 -0.018 0.000 2.489 59 E HA 0.019 4.369 4.350 -0.000 0.000 0.193 59 E C 0.059 176.650 176.600 -0.015 0.000 1.057 59 E CA 0.071 56.461 56.400 -0.015 0.000 0.866 59 E CB 0.349 30.041 29.700 -0.012 0.000 0.916 59 E HN 0.188 nan 8.360 nan 0.000 0.500 60 I N 2.274 122.835 120.570 -0.015 0.000 2.406 60 I HA 0.104 4.274 4.170 -0.000 0.000 0.293 60 I C 0.338 176.446 176.117 -0.015 0.000 1.101 60 I CA 0.282 61.574 61.300 -0.013 0.000 1.334 60 I CB -0.244 37.749 38.000 -0.011 0.000 1.421 60 I HN -0.066 nan 8.210 nan 0.000 0.513 61 E N 6.554 126.746 120.200 -0.014 0.000 2.292 61 E HA 0.561 4.911 4.350 -0.000 0.000 0.272 61 E C -1.457 175.135 176.600 -0.013 0.000 0.881 61 E CA -0.644 55.746 56.400 -0.016 0.000 0.754 61 E CB 2.168 31.856 29.700 -0.019 0.000 1.201 61 E HN 0.415 nan 8.360 nan 0.000 0.425 62 L N 2.902 124.117 121.223 -0.013 0.000 2.358 62 L HA 0.381 4.721 4.340 -0.000 0.000 0.268 62 L C 1.342 178.205 176.870 -0.012 0.000 1.032 62 L CA -0.327 54.508 54.840 -0.008 0.000 0.805 62 L CB 1.452 43.510 42.059 -0.002 0.000 1.253 62 L HN 0.746 nan 8.230 nan 0.000 0.452 63 E N 0.099 120.295 120.200 -0.007 0.000 2.102 63 E HA -0.111 4.239 4.350 -0.000 0.000 0.190 63 E C 0.351 176.947 176.600 -0.006 0.000 0.971 63 E CA 0.068 56.463 56.400 -0.009 0.000 0.821 63 E CB 0.360 30.058 29.700 -0.003 0.000 0.777 63 E HN 0.602 nan 8.360 nan 0.000 0.460 64 D N 1.128 121.534 120.400 0.011 0.000 2.382 64 D HA -0.061 4.579 4.640 -0.000 0.000 0.259 64 D C 0.695 176.996 176.300 0.002 0.000 1.224 64 D CA 0.091 54.111 54.000 0.033 0.000 0.894 64 D CB 0.918 41.760 40.800 0.069 0.000 1.127 64 D HN -0.002 nan 8.370 nan 0.000 0.487 65 K N 3.413 123.775 120.400 -0.064 0.000 2.152 65 K HA -0.164 4.156 4.320 -0.000 0.000 0.206 65 K C 1.690 178.135 176.600 -0.258 0.000 1.048 65 K CA 1.070 57.232 56.287 -0.207 0.000 0.933 65 K CB -0.165 32.117 32.500 -0.364 0.000 0.721 65 K HN 0.513 nan 8.250 nan 0.000 0.447 66 F N 1.253 121.190 119.950 -0.021 0.000 2.335 66 F HA -0.005 4.522 4.527 -0.000 0.000 0.296 66 F C 2.248 178.037 175.800 -0.019 0.000 1.091 66 F CA 0.694 58.679 58.000 -0.024 0.000 1.399 66 F CB -0.147 38.837 39.000 -0.026 0.000 1.067 66 F HN 0.071 nan 8.300 nan 0.000 0.520 67 E N 0.100 120.390 120.200 0.151 0.000 2.028 67 E HA -0.223 4.127 4.350 -0.000 0.000 0.191 67 E C 1.852 178.474 176.600 0.037 0.000 0.988 67 E CA 1.164 57.611 56.400 0.080 0.000 0.799 67 E CB -0.363 29.373 29.700 0.059 0.000 0.755 67 E HN 0.197 nan 8.360 nan 0.000 0.447 68 N N 1.026 119.733 118.700 0.011 0.000 2.073 68 N HA -0.247 4.493 4.740 -0.000 0.000 0.199 68 N C 1.716 177.218 175.510 -0.013 0.000 1.023 68 N CA 1.790 54.832 53.050 -0.013 0.000 0.880 68 N CB -0.145 38.319 38.487 -0.038 0.000 1.052 68 N HN 0.098 nan 8.380 nan 0.000 0.449 69 M N -0.558 119.031 119.600 -0.019 0.000 2.082 69 M HA -0.120 4.360 4.480 -0.000 0.000 0.258 69 M C 2.258 178.565 176.300 0.010 0.000 1.071 69 M CA 2.025 57.317 55.300 -0.014 0.000 1.103 69 M CB -0.965 31.622 32.600 -0.022 0.000 1.307 69 M HN 0.348 nan 8.290 nan 0.000 0.409 70 G N -0.065 108.755 108.800 0.033 0.000 2.599 70 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.219 70 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.219 70 G C 1.584 176.492 174.900 0.014 0.000 1.193 70 G CA 1.509 46.626 45.100 0.028 0.000 0.778 70 G HN 0.589 nan 8.290 nan 0.000 0.589 71 A N -0.394 122.432 122.820 0.010 0.000 1.877 71 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 71 A C 2.390 179.971 177.584 -0.006 0.000 1.186 71 A CA 2.000 54.038 52.037 0.003 0.000 0.620 71 A CB -0.372 18.629 19.000 0.001 0.000 0.822 71 A HN 0.359 nan 8.150 nan 0.000 0.443 72 Q N -0.847 118.947 119.800 -0.010 0.000 2.291 72 Q HA -0.052 4.288 4.340 -0.000 0.000 0.205 72 Q C 2.073 178.063 176.000 -0.016 0.000 0.970 72 Q CA 1.142 56.934 55.803 -0.017 0.000 0.876 72 Q CB -0.363 28.362 28.738 -0.023 0.000 0.935 72 Q HN 0.775 nan 8.270 nan 0.000 0.455 73 M N -0.020 119.575 119.600 -0.009 0.000 2.077 73 M HA -0.144 4.336 4.480 -0.000 0.000 0.261 73 M C 2.351 178.647 176.300 -0.007 0.000 1.070 73 M CA 1.501 56.798 55.300 -0.006 0.000 1.125 73 M CB -0.402 32.200 32.600 0.004 0.000 1.339 73 M HN 0.137 nan 8.290 nan 0.000 0.409 74 V N -1.231 118.682 119.914 -0.001 0.000 2.358 74 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 74 V C 2.161 178.245 176.094 -0.017 0.000 1.047 74 V CA 1.963 64.262 62.300 -0.001 0.000 1.035 74 V CB -1.218 30.609 31.823 0.007 0.000 0.658 74 V HN 0.454 nan 8.190 nan 0.000 0.452 75 K N 0.680 121.069 120.400 -0.019 0.000 2.013 75 K HA -0.365 3.955 4.320 -0.000 0.000 0.225 75 K C 2.421 178.993 176.600 -0.047 0.000 1.056 75 K CA 2.726 58.995 56.287 -0.029 0.000 0.971 75 K CB -0.598 31.886 32.500 -0.026 0.000 0.731 75 K HN 0.663 nan 8.250 nan 0.000 0.450 76 E N -0.034 120.138 120.200 -0.048 0.000 2.219 76 E HA -0.167 4.183 4.350 -0.000 0.000 0.198 76 E C 1.597 178.134 176.600 -0.106 0.000 0.998 76 E CA 1.380 57.740 56.400 -0.065 0.000 0.818 76 E CB 0.174 29.845 29.700 -0.049 0.000 0.741 76 E HN 0.283 nan 8.360 nan 0.000 0.477 77 V N 0.137 119.993 119.914 -0.097 0.000 3.506 77 V HA 0.027 4.147 4.120 -0.000 0.000 0.263 77 V C 2.006 177.992 176.094 -0.181 0.000 1.203 77 V CA 0.968 63.179 62.300 -0.149 0.000 1.133 77 V CB 0.319 32.120 31.823 -0.036 0.000 0.802 77 V HN 0.292 nan 8.190 nan 0.000 0.459 78 A N 1.029 123.784 122.820 -0.108 0.000 1.903 78 A HA -0.092 4.227 4.320 -0.000 0.000 0.213 78 A C 2.447 179.964 177.584 -0.111 0.000 1.185 78 A CA 1.579 53.570 52.037 -0.077 0.000 0.628 78 A CB -0.488 18.489 19.000 -0.039 0.000 0.830 78 A HN 0.615 nan 8.150 nan 0.000 0.446 79 S N 0.097 115.724 115.700 -0.122 0.000 2.481 79 S HA -0.067 4.403 4.470 -0.000 0.000 0.231 79 S C 1.597 176.101 174.600 -0.160 0.000 0.996 79 S CA 1.152 59.284 58.200 -0.114 0.000 0.942 79 S CB -0.280 62.869 63.200 -0.085 0.000 0.768 79 S HN 0.584 nan 8.310 nan 0.000 0.520 80 K N 1.426 121.657 120.400 -0.280 0.000 2.217 80 K HA 0.213 4.533 4.320 -0.000 0.000 0.202 80 K C 2.315 178.705 176.600 -0.351 0.000 1.051 80 K CA 0.897 56.947 56.287 -0.396 0.000 0.952 80 K CB -0.344 31.729 32.500 -0.712 0.000 0.736 80 K HN 0.493 nan 8.250 nan 0.000 0.453 81 A N 1.292 123.948 122.820 -0.274 0.000 2.014 81 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 81 A C 1.798 179.400 177.584 0.029 0.000 1.163 81 A CA 1.449 53.516 52.037 0.049 0.000 0.652 81 A CB -0.394 18.686 19.000 0.133 0.000 0.808 81 A HN 0.275 nan 8.150 nan 0.000 0.449 82 N N -0.575 118.102 118.700 -0.038 0.000 2.395 82 N HA -0.063 4.677 4.740 -0.000 0.000 0.175 82 N C 0.980 176.450 175.510 -0.068 0.000 1.029 82 N CA 0.861 53.882 53.050 -0.049 0.000 0.897 82 N CB 0.039 38.486 38.487 -0.066 0.000 0.991 82 N HN 0.316 nan 8.380 nan 0.000 0.441 83 D N 0.143 120.508 120.400 -0.058 0.000 2.077 83 D HA -0.064 4.576 4.640 -0.000 0.000 0.196 83 D C 1.781 178.096 176.300 0.026 0.000 0.986 83 D CA 1.312 55.289 54.000 -0.039 0.000 0.829 83 D CB -0.522 40.250 40.800 -0.047 0.000 0.983 83 D HN 0.319 nan 8.370 nan 0.000 0.453 84 A N 0.276 123.131 122.820 0.058 0.000 1.969 84 A HA 0.129 4.449 4.320 -0.000 0.000 0.218 84 A C 2.084 179.738 177.584 0.118 0.000 1.169 84 A CA 2.140 54.239 52.037 0.104 0.000 0.635 84 A CB -0.250 18.837 19.000 0.145 0.000 0.810 84 A HN 0.257 nan 8.150 nan 0.000 0.445 85 A N -3.163 119.716 122.820 0.097 0.000 1.984 85 A HA 0.471 4.791 4.320 -0.000 0.000 0.203 85 A C 1.910 179.554 177.584 0.101 0.000 1.292 85 A CA 1.237 53.334 52.037 0.100 0.000 0.782 85 A CB -0.198 18.848 19.000 0.077 0.000 0.924 85 A HN 1.734 nan 8.150 nan 0.000 0.475 86 G N -1.282 107.507 108.800 -0.018 0.000 2.307 86 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.210 86 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.210 86 G C -0.194 174.655 174.900 -0.085 0.000 1.005 86 G CA 0.455 45.466 45.100 -0.148 0.000 0.634 86 G HN 0.848 nan 8.290 nan 0.000 0.496 87 D N -1.458 118.927 120.400 -0.024 0.000 2.753 87 D HA 0.615 5.255 4.640 -0.000 0.000 0.224 87 D C 0.637 176.939 176.300 0.003 0.000 1.213 87 D CA 0.761 54.752 54.000 -0.015 0.000 0.833 87 D CB 1.063 41.861 40.800 -0.005 0.000 1.607 87 D HN 1.219 nan 8.370 nan 0.000 0.463 88 G N 0.980 109.782 108.800 0.002 0.000 2.870 88 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.216 88 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.216 88 G C 1.013 175.921 174.900 0.013 0.000 0.973 88 G CA 0.386 45.496 45.100 0.016 0.000 0.807 88 G HN 0.501 nan 8.290 nan 0.000 0.573 89 T N 1.521 116.073 114.554 -0.004 0.000 2.821 89 T HA -0.070 4.280 4.350 -0.000 0.000 0.267 89 T C 2.610 177.308 174.700 -0.003 0.000 1.046 89 T CA 2.264 64.358 62.100 -0.010 0.000 1.139 89 T CB -0.329 68.524 68.868 -0.026 0.000 0.871 89 T HN 0.416 nan 8.240 nan 0.000 0.454 90 T N 1.763 116.315 114.554 -0.003 0.000 2.746 90 T HA -0.102 4.248 4.350 -0.000 0.000 0.267 90 T C 2.232 176.936 174.700 0.007 0.000 1.039 90 T CA 1.593 63.693 62.100 0.000 0.000 1.142 90 T CB -0.641 68.226 68.868 -0.002 0.000 0.866 90 T HN 0.415 nan 8.240 nan 0.000 0.444 91 T N 1.869 116.430 114.554 0.012 0.000 2.896 91 T HA 0.205 4.555 4.350 -0.000 0.000 0.263 91 T C 2.521 177.235 174.700 0.024 0.000 1.050 91 T CA 0.779 62.889 62.100 0.017 0.000 1.140 91 T CB -0.505 68.375 68.868 0.019 0.000 0.877 91 T HN 0.421 nan 8.240 nan 0.000 0.457 92 A N 1.759 124.597 122.820 0.031 0.000 1.933 92 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 92 A C 2.486 180.090 177.584 0.033 0.000 1.175 92 A CA 1.934 53.998 52.037 0.044 0.000 0.628 92 A CB -1.219 17.817 19.000 0.061 0.000 0.814 92 A HN 0.475 nan 8.150 nan 0.000 0.444 93 T N -0.228 114.338 114.554 0.020 0.000 2.951 93 T HA -0.047 4.303 4.350 -0.000 0.000 0.268 93 T C 1.914 176.623 174.700 0.015 0.000 1.073 93 T CA 1.505 63.614 62.100 0.015 0.000 1.134 93 T CB -0.446 68.426 68.868 0.006 0.000 0.884 93 T HN 0.565 nan 8.240 nan 0.000 0.479 94 V N -0.086 119.836 119.914 0.014 0.000 2.488 94 V HA 0.061 4.181 4.120 -0.000 0.000 0.246 94 V C 2.279 178.383 176.094 0.015 0.000 1.046 94 V CA 0.933 63.241 62.300 0.013 0.000 1.053 94 V CB -1.183 30.647 31.823 0.011 0.000 0.679 94 V HN 0.338 nan 8.190 nan 0.000 0.458 95 L N 1.181 122.416 121.223 0.019 0.000 1.970 95 L HA -0.118 4.222 4.340 -0.000 0.000 0.212 95 L C 3.066 179.949 176.870 0.022 0.000 1.071 95 L CA 2.192 57.044 54.840 0.021 0.000 0.751 95 L CB -0.950 41.125 42.059 0.027 0.000 0.889 95 L HN 0.407 nan 8.230 nan 0.000 0.432 96 A N -1.126 121.709 122.820 0.026 0.000 1.978 96 A HA -0.267 4.053 4.320 -0.000 0.000 0.220 96 A C 2.237 179.833 177.584 0.020 0.000 1.170 96 A CA 1.751 53.804 52.037 0.026 0.000 0.636 96 A CB -0.545 18.473 19.000 0.031 0.000 0.810 96 A HN 0.534 nan 8.150 nan 0.000 0.448 97 Q N -0.502 119.308 119.800 0.017 0.000 1.942 97 Q HA -0.155 4.185 4.340 -0.000 0.000 0.203 97 Q C 2.348 178.355 176.000 0.013 0.000 0.987 97 Q CA 1.690 57.501 55.803 0.014 0.000 0.844 97 Q CB -0.428 28.317 28.738 0.011 0.000 0.911 97 Q HN 0.566 nan 8.270 nan 0.000 0.423 98 A N 1.132 123.959 122.820 0.012 0.000 1.906 98 A HA -0.299 4.021 4.320 -0.000 0.000 0.222 98 A C 2.023 179.614 177.584 0.012 0.000 1.282 98 A CA 2.351 54.394 52.037 0.011 0.000 0.675 98 A CB -1.279 17.728 19.000 0.012 0.000 0.838 98 A HN 0.553 nan 8.150 nan 0.000 0.469 99 I N -0.726 119.852 120.570 0.014 0.000 2.113 99 I HA -0.261 3.909 4.170 -0.000 0.000 0.238 99 I C 2.386 178.511 176.117 0.014 0.000 1.070 99 I CA 1.742 63.051 61.300 0.014 0.000 1.332 99 I CB -0.442 37.568 38.000 0.016 0.000 1.044 99 I HN 0.323 nan 8.210 nan 0.000 0.402 100 I N 0.432 121.011 120.570 0.015 0.000 2.335 100 I HA -0.273 3.897 4.170 -0.000 0.000 0.251 100 I C 2.487 178.611 176.117 0.012 0.000 1.129 100 I CA 1.415 62.723 61.300 0.015 0.000 1.402 100 I CB -0.557 37.453 38.000 0.016 0.000 1.069 100 I HN 0.319 nan 8.210 nan 0.000 0.424 101 T N -0.043 114.518 114.554 0.011 0.000 2.701 101 T HA -0.125 4.225 4.350 -0.000 0.000 0.263 101 T C 1.840 176.545 174.700 0.008 0.000 1.040 101 T CA 1.082 63.187 62.100 0.009 0.000 1.147 101 T CB -0.125 68.748 68.868 0.008 0.000 0.865 101 T HN 0.256 nan 8.240 nan 0.000 0.426 102 E N 0.815 121.020 120.200 0.008 0.000 2.106 102 E HA -0.022 4.328 4.350 -0.000 0.000 0.192 102 E C 2.442 179.047 176.600 0.008 0.000 0.984 102 E CA 1.033 57.437 56.400 0.008 0.000 0.806 102 E CB -0.882 28.822 29.700 0.008 0.000 0.750 102 E HN 0.536 nan 8.360 nan 0.000 0.458 103 G N 1.922 110.727 108.800 0.009 0.000 2.604 103 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.216 103 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.216 103 G C 1.659 176.565 174.900 0.009 0.000 1.265 103 G CA 0.879 45.985 45.100 0.010 0.000 0.804 103 G HN 0.220 nan 8.290 nan 0.000 0.579 104 L N 0.216 121.444 121.223 0.010 0.000 2.270 104 L HA -0.167 4.173 4.340 -0.000 0.000 0.217 104 L C 2.876 179.751 176.870 0.007 0.000 1.107 104 L CA 1.282 56.127 54.840 0.009 0.000 0.772 104 L CB -0.380 41.684 42.059 0.009 0.000 0.902 104 L HN 0.275 nan 8.230 nan 0.000 0.439 105 K N -0.188 120.216 120.400 0.006 0.000 2.148 105 K HA -0.093 4.227 4.320 -0.000 0.000 0.204 105 K C 2.183 178.786 176.600 0.005 0.000 1.050 105 K CA 1.200 57.490 56.287 0.005 0.000 0.942 105 K CB -0.039 32.464 32.500 0.005 0.000 0.724 105 K HN 0.327 nan 8.250 nan 0.000 0.446 106 A N 0.568 123.391 122.820 0.006 0.000 1.911 106 A HA -0.018 4.302 4.320 -0.000 0.000 0.212 106 A C 2.256 179.844 177.584 0.006 0.000 1.189 106 A CA 0.552 52.592 52.037 0.006 0.000 0.639 106 A CB -0.276 18.728 19.000 0.006 0.000 0.839 106 A HN 0.012 nan 8.150 nan 0.000 0.449 107 V N 0.274 120.192 119.914 0.007 0.000 2.261 107 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 107 V C 3.026 179.124 176.094 0.007 0.000 1.047 107 V CA 1.994 64.299 62.300 0.008 0.000 1.015 107 V CB -1.247 30.582 31.823 0.011 0.000 0.642 107 V HN 0.562 nan 8.190 nan 0.000 0.446 108 A N -0.255 122.569 122.820 0.006 0.000 2.131 108 A HA -0.055 4.265 4.320 -0.000 0.000 0.220 108 A C 2.270 179.856 177.584 0.003 0.000 1.158 108 A CA 1.863 53.903 52.037 0.005 0.000 0.665 108 A CB -0.559 18.444 19.000 0.004 0.000 0.795 108 A HN 0.599 nan 8.150 nan 0.000 0.460 109 A N -2.080 120.743 122.820 0.004 0.000 2.021 109 A HA 0.401 4.721 4.320 -0.000 0.000 0.216 109 A C 1.792 179.378 177.584 0.002 0.000 1.163 109 A CA 1.504 53.543 52.037 0.003 0.000 0.676 109 A CB -0.431 18.571 19.000 0.003 0.000 0.818 109 A HN 1.735 nan 8.150 nan 0.000 0.453 110 G N -2.426 106.376 108.800 0.003 0.000 2.198 110 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.156 110 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.156 110 G C 0.124 175.026 174.900 0.004 0.000 1.012 110 G CA 0.019 45.121 45.100 0.003 0.000 0.692 110 G HN 0.276 nan 8.290 nan 0.000 0.492 111 M N 1.119 120.722 119.600 0.005 0.000 2.241 111 M HA 0.254 4.734 4.480 -0.000 0.000 0.335 111 M C 0.641 176.945 176.300 0.007 0.000 1.122 111 M CA -0.357 54.946 55.300 0.005 0.000 1.164 111 M CB 0.484 33.087 32.600 0.005 0.000 1.459 111 M HN 0.181 nan 8.290 nan 0.000 0.461 112 N N 2.740 121.444 118.700 0.007 0.000 2.442 112 N HA 0.108 4.848 4.740 -0.000 0.000 0.265 112 N C -2.158 173.357 175.510 0.009 0.000 1.138 112 N CA -1.206 51.849 53.050 0.008 0.000 0.956 112 N CB 1.255 39.746 38.487 0.007 0.000 1.067 112 N HN 0.288 nan 8.380 nan 0.000 0.474 113 P HA -0.057 nan 4.420 nan 0.000 0.217 113 P C 1.643 178.950 177.300 0.012 0.000 1.151 113 P CA 1.047 64.155 63.100 0.012 0.000 0.828 113 P CB 0.271 31.980 31.700 0.015 0.000 0.788 114 M N -0.575 119.031 119.600 0.011 0.000 2.132 114 M HA -0.113 4.367 4.480 -0.000 0.000 0.263 114 M C 1.427 177.732 176.300 0.009 0.000 1.065 114 M CA 1.659 56.965 55.300 0.010 0.000 1.122 114 M CB -1.518 31.088 32.600 0.010 0.000 1.365 114 M HN -0.013 nan 8.290 nan 0.000 0.411 115 D N 0.510 120.914 120.400 0.008 0.000 2.097 115 D HA -0.060 4.580 4.640 -0.000 0.000 0.197 115 D C 2.303 178.606 176.300 0.006 0.000 0.984 115 D CA 1.024 55.028 54.000 0.006 0.000 0.826 115 D CB -0.252 40.552 40.800 0.006 0.000 0.973 115 D HN 0.300 nan 8.370 nan 0.000 0.460 116 L N 1.005 122.233 121.223 0.007 0.000 2.012 116 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 116 L C 2.575 179.449 176.870 0.008 0.000 1.073 116 L CA 1.355 56.200 54.840 0.007 0.000 0.748 116 L CB -0.432 41.632 42.059 0.008 0.000 0.891 116 L HN -0.001 nan 8.230 nan 0.000 0.431 117 K N 0.394 120.799 120.400 0.009 0.000 2.001 117 K HA -0.283 4.037 4.320 -0.000 0.000 0.214 117 K C 2.348 178.952 176.600 0.007 0.000 1.050 117 K CA 1.905 58.197 56.287 0.009 0.000 0.934 117 K CB -0.181 32.326 32.500 0.011 0.000 0.718 117 K HN 0.052 nan 8.250 nan 0.000 0.443 118 R N -0.319 120.184 120.500 0.006 0.000 2.103 118 R HA -0.143 4.197 4.340 -0.000 0.000 0.242 118 R C 2.387 178.689 176.300 0.003 0.000 1.142 118 R CA 1.818 57.921 56.100 0.004 0.000 0.960 118 R CB -0.688 29.614 30.300 0.004 0.000 0.858 118 R HN 0.525 nan 8.270 nan 0.000 0.439 119 G N 0.539 109.341 108.800 0.004 0.000 2.440 119 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 119 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 119 G C 1.391 176.293 174.900 0.004 0.000 1.154 119 G CA 1.014 46.116 45.100 0.004 0.000 0.767 119 G HN 0.287 nan 8.290 nan 0.000 0.552 120 I N 0.816 121.389 120.570 0.004 0.000 2.286 120 I HA -0.082 4.088 4.170 -0.000 0.000 0.245 120 I C 2.172 178.289 176.117 0.001 0.000 1.104 120 I CA 0.959 62.261 61.300 0.004 0.000 1.397 120 I CB -0.230 37.774 38.000 0.007 0.000 1.072 120 I HN 0.012 nan 8.210 nan 0.000 0.417 121 D N 1.147 121.547 120.400 0.000 0.000 2.123 121 D HA -0.218 4.422 4.640 -0.000 0.000 0.196 121 D C 2.080 178.377 176.300 -0.006 0.000 0.992 121 D CA 1.295 55.292 54.000 -0.004 0.000 0.833 121 D CB -0.194 40.604 40.800 -0.003 0.000 0.954 121 D HN 0.293 nan 8.370 nan 0.000 0.455 122 K N 0.381 120.779 120.400 -0.003 0.000 2.228 122 K HA 0.048 4.368 4.320 -0.000 0.000 0.202 122 K C 1.893 178.492 176.600 -0.002 0.000 1.051 122 K CA 0.733 57.019 56.287 -0.003 0.000 0.960 122 K CB 0.129 32.629 32.500 -0.001 0.000 0.743 122 K HN -0.001 nan 8.250 nan 0.000 0.458 123 A N 0.466 123.285 122.820 -0.001 0.000 1.969 123 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 123 A C 2.033 179.616 177.584 -0.002 0.000 1.169 123 A CA 1.151 53.188 52.037 0.001 0.000 0.635 123 A CB -0.196 18.806 19.000 0.003 0.000 0.810 123 A HN 0.155 nan 8.150 nan 0.000 0.445 124 V N -0.602 119.308 119.914 -0.005 0.000 2.725 124 V HA -0.116 4.004 4.120 -0.000 0.000 0.247 124 V C 2.575 178.660 176.094 -0.016 0.000 1.058 124 V CA 2.080 64.374 62.300 -0.011 0.000 1.080 124 V CB -0.763 31.050 31.823 -0.016 0.000 0.713 124 V HN 0.575 nan 8.190 nan 0.000 0.465 125 T N 0.728 115.273 114.554 -0.014 0.000 2.867 125 T HA -0.106 4.244 4.350 -0.000 0.000 0.268 125 T C 1.950 176.644 174.700 -0.010 0.000 1.057 125 T CA 1.552 63.643 62.100 -0.015 0.000 1.136 125 T CB -0.244 68.617 68.868 -0.012 0.000 0.874 125 T HN 0.533 nan 8.240 nan 0.000 0.466 126 A N 0.818 123.634 122.820 -0.006 0.000 2.021 126 A HA 0.527 4.847 4.320 -0.000 0.000 0.216 126 A C 2.499 180.083 177.584 -0.001 0.000 1.163 126 A CA 1.105 53.140 52.037 -0.002 0.000 0.676 126 A CB -0.620 18.380 19.000 -0.000 0.000 0.818 126 A HN 0.467 nan 8.150 nan 0.000 0.453 127 A N -0.376 122.443 122.820 -0.002 0.000 1.930 127 A HA 0.124 4.444 4.320 -0.000 0.000 0.215 127 A C 2.128 179.711 177.584 -0.001 0.000 1.176 127 A CA 1.397 53.434 52.037 0.001 0.000 0.632 127 A CB -0.766 18.235 19.000 0.001 0.000 0.819 127 A HN 0.290 nan 8.150 nan 0.000 0.445 128 V N 0.185 120.094 119.914 -0.008 0.000 2.255 128 V HA -0.297 3.823 4.120 -0.000 0.000 0.247 128 V C 2.555 178.646 176.094 -0.005 0.000 1.051 128 V CA 2.515 64.809 62.300 -0.011 0.000 1.018 128 V CB -0.891 30.920 31.823 -0.020 0.000 0.641 128 V HN 0.553 nan 8.190 nan 0.000 0.445 129 E N 0.050 120.247 120.200 -0.004 0.000 2.065 129 E HA -0.265 4.085 4.350 -0.000 0.000 0.201 129 E C 2.195 178.796 176.600 0.003 0.000 1.016 129 E CA 1.789 58.188 56.400 -0.001 0.000 0.818 129 E CB -0.378 29.321 29.700 -0.001 0.000 0.749 129 E HN 0.598 nan 8.360 nan 0.000 0.453 130 E N -0.310 119.893 120.200 0.004 0.000 2.118 130 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 130 E C 1.800 178.406 176.600 0.010 0.000 0.992 130 E CA 0.519 56.924 56.400 0.008 0.000 0.804 130 E CB -0.272 29.434 29.700 0.010 0.000 0.741 130 E HN 0.162 nan 8.360 nan 0.000 0.458 131 L N 0.512 121.740 121.223 0.008 0.000 2.191 131 L HA -0.112 4.228 4.340 -0.000 0.000 0.212 131 L C 1.714 178.589 176.870 0.008 0.000 1.103 131 L CA 1.685 56.530 54.840 0.009 0.000 0.769 131 L CB -0.096 41.966 42.059 0.005 0.000 0.908 131 L HN 0.005 nan 8.230 nan 0.000 0.438 132 K N -1.421 118.983 120.400 0.006 0.000 2.167 132 K HA 0.053 4.373 4.320 -0.000 0.000 0.203 132 K C 2.043 178.648 176.600 0.008 0.000 1.052 132 K CA 0.889 57.180 56.287 0.006 0.000 0.956 132 K CB -0.126 32.376 32.500 0.003 0.000 0.735 132 K HN 0.376 nan 8.250 nan 0.000 0.451 133 A N 1.195 124.021 122.820 0.009 0.000 1.929 133 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 133 A C 1.988 179.580 177.584 0.014 0.000 1.176 133 A CA 0.809 52.852 52.037 0.010 0.000 0.628 133 A CB -0.418 18.588 19.000 0.010 0.000 0.816 133 A HN 0.216 nan 8.150 nan 0.000 0.444 134 L N -0.173 121.059 121.223 0.016 0.000 2.275 134 L HA -0.018 4.322 4.340 -0.000 0.000 0.215 134 L C 1.268 178.149 176.870 0.018 0.000 1.119 134 L CA 0.537 55.389 54.840 0.020 0.000 0.790 134 L CB -0.048 42.025 42.059 0.022 0.000 0.919 134 L HN 0.365 nan 8.230 nan 0.000 0.443 135 S N -0.184 115.524 115.700 0.014 0.000 2.488 135 S HA 0.166 4.636 4.470 -0.000 0.000 0.278 135 S C -0.240 174.367 174.600 0.012 0.000 1.259 135 S CA -0.579 57.629 58.200 0.013 0.000 1.061 135 S CB 0.591 63.797 63.200 0.010 0.000 0.910 135 S HN 0.034 nan 8.310 nan 0.000 0.491 136 V N 9.223 129.144 119.914 0.012 0.000 2.318 136 V HA 0.324 4.444 4.120 -0.000 0.000 0.271 136 V C -2.068 174.031 176.094 0.009 0.000 1.030 136 V CA -1.985 60.322 62.300 0.011 0.000 0.844 136 V CB 0.715 32.546 31.823 0.013 0.000 1.015 136 V HN 0.748 nan 8.190 nan 0.000 0.460 137 P HA -0.054 nan 4.420 nan 0.000 0.261 137 P C -0.185 177.118 177.300 0.006 0.000 1.173 137 P CA 0.123 63.227 63.100 0.006 0.000 0.760 137 P CB 0.225 31.929 31.700 0.006 0.000 0.783 138 C N 3.957 123.260 119.300 0.005 0.000 2.185 138 C HA 0.381 4.841 4.460 -0.000 0.000 0.357 138 C C 1.450 176.441 174.990 0.002 0.000 1.053 138 C CA 0.115 59.135 59.018 0.004 0.000 1.552 138 C CB -1.758 25.984 27.740 0.004 0.000 1.679 138 C HN 0.563 nan 8.230 nan 0.000 0.453 139 S N 2.024 117.725 115.700 0.002 0.000 2.433 139 S HA 0.069 4.539 4.470 -0.000 0.000 0.216 139 S C 0.543 175.143 174.600 -0.000 0.000 1.031 139 S CA 0.261 58.461 58.200 0.001 0.000 0.931 139 S CB -0.191 63.010 63.200 0.001 0.000 0.875 139 S HN 0.934 nan 8.310 nan 0.000 0.553 140 D N 2.118 122.519 120.400 0.000 0.000 2.346 140 D HA 0.016 4.656 4.640 -0.000 0.000 0.236 140 D C 0.991 177.290 176.300 -0.001 0.000 1.259 140 D CA 0.443 54.442 54.000 -0.000 0.000 0.898 140 D CB 0.203 41.003 40.800 0.000 0.000 1.178 140 D HN 0.303 nan 8.370 nan 0.000 0.457 141 S N -1.123 114.576 115.700 -0.002 0.000 2.496 141 S HA -0.127 4.343 4.470 -0.000 0.000 0.224 141 S C 1.570 176.169 174.600 -0.002 0.000 0.996 141 S CA 0.533 58.732 58.200 -0.002 0.000 0.927 141 S CB -0.179 63.019 63.200 -0.003 0.000 0.774 141 S HN 0.581 nan 8.310 nan 0.000 0.524 142 K N 1.905 122.305 120.400 -0.001 0.000 2.001 142 K HA 0.027 4.347 4.320 -0.000 0.000 0.208 142 K C 2.275 178.875 176.600 -0.000 0.000 1.048 142 K CA 1.229 57.516 56.287 -0.001 0.000 0.932 142 K CB -0.574 31.926 32.500 0.000 0.000 0.715 142 K HN 0.404 nan 8.250 nan 0.000 0.437 143 A N 0.715 123.535 122.820 0.000 0.000 1.968 143 A HA -0.043 4.277 4.320 -0.000 0.000 0.217 143 A C 1.984 179.568 177.584 0.000 0.000 1.169 143 A CA 1.047 53.085 52.037 0.001 0.000 0.638 143 A CB -0.329 18.672 19.000 0.002 0.000 0.812 143 A HN 0.349 nan 8.150 nan 0.000 0.446 144 I N -0.669 119.901 120.570 -0.001 0.000 2.761 144 I HA -0.109 4.061 4.170 -0.000 0.000 0.261 144 I C 2.694 178.810 176.117 -0.002 0.000 1.198 144 I CA 0.775 62.074 61.300 -0.001 0.000 1.482 144 I CB 0.034 38.032 38.000 -0.003 0.000 1.100 144 I HN 0.325 nan 8.210 nan 0.000 0.445 145 A N -0.062 122.757 122.820 -0.002 0.000 1.898 145 A HA -0.182 4.138 4.320 -0.000 0.000 0.214 145 A C 2.227 179.811 177.584 -0.002 0.000 1.183 145 A CA 1.125 53.161 52.037 -0.002 0.000 0.622 145 A CB -0.412 18.587 19.000 -0.002 0.000 0.824 145 A HN 0.374 nan 8.150 nan 0.000 0.444 146 Q N -0.381 119.419 119.800 -0.001 0.000 2.050 146 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 146 Q C 2.154 178.153 176.000 -0.001 0.000 0.980 146 Q CA 1.837 57.639 55.803 -0.002 0.000 0.840 146 Q CB -0.348 28.389 28.738 -0.001 0.000 0.898 146 Q HN 0.475 nan 8.270 nan 0.000 0.424 147 V N 0.276 120.190 119.914 -0.000 0.000 2.343 147 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 147 V C 2.208 178.303 176.094 0.002 0.000 1.051 147 V CA 1.944 64.245 62.300 0.001 0.000 1.036 147 V CB -1.137 30.688 31.823 0.003 0.000 0.654 147 V HN 0.549 nan 8.190 nan 0.000 0.451 148 G N -0.617 108.183 108.800 0.001 0.000 2.422 148 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 148 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 148 G C 1.682 176.583 174.900 0.001 0.000 1.146 148 G CA 1.525 46.627 45.100 0.002 0.000 0.769 148 G HN 0.471 nan 8.290 nan 0.000 0.547 149 T N 1.377 115.930 114.554 -0.001 0.000 2.668 149 T HA -0.051 4.299 4.350 -0.000 0.000 0.262 149 T C 2.411 177.109 174.700 -0.003 0.000 1.045 149 T CA 1.082 63.181 62.100 -0.002 0.000 1.152 149 T CB -0.203 68.663 68.868 -0.003 0.000 0.864 149 T HN 0.242 nan 8.240 nan 0.000 0.419 150 I N 1.381 121.948 120.570 -0.004 0.000 2.208 150 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 150 I C 2.598 178.712 176.117 -0.004 0.000 1.097 150 I CA 1.068 62.364 61.300 -0.006 0.000 1.363 150 I CB -0.428 37.568 38.000 -0.007 0.000 1.051 150 I HN 0.176 nan 8.210 nan 0.000 0.413 151 S N 0.563 116.263 115.700 0.001 0.000 2.442 151 S HA -0.048 4.422 4.470 -0.000 0.000 0.236 151 S C 1.680 176.282 174.600 0.004 0.000 1.007 151 S CA 1.147 59.350 58.200 0.005 0.000 0.965 151 S CB -0.197 63.010 63.200 0.012 0.000 0.773 151 S HN 0.549 nan 8.310 nan 0.000 0.504 152 A N 1.146 123.967 122.820 0.002 0.000 2.545 152 A HA 0.439 4.759 4.320 -0.000 0.000 0.277 152 A C 0.523 178.105 177.584 -0.002 0.000 1.301 152 A CA -0.437 51.601 52.037 0.001 0.000 0.935 152 A CB -0.471 18.531 19.000 0.002 0.000 1.093 152 A HN 0.350 nan 8.150 nan 0.000 0.519 153 N N 0.029 118.726 118.700 -0.005 0.000 2.671 153 N HA -0.215 4.525 4.740 -0.000 0.000 0.261 153 N C 0.270 175.775 175.510 -0.008 0.000 1.053 153 N CA 1.042 54.087 53.050 -0.008 0.000 0.732 153 N CB -1.796 36.686 38.487 -0.008 0.000 0.887 153 N HN 0.499 nan 8.380 nan 0.000 0.546 154 S N -1.108 114.587 115.700 -0.009 0.000 3.380 154 S HA -0.260 4.210 4.470 -0.000 0.000 0.300 154 S C -0.260 174.336 174.600 -0.006 0.000 1.255 154 S CA 1.051 59.246 58.200 -0.009 0.000 0.963 154 S CB -1.019 62.175 63.200 -0.011 0.000 1.106 154 S HN 0.826 nan 8.310 nan 0.000 0.629 155 D N 1.124 121.521 120.400 -0.005 0.000 2.456 155 D HA 0.363 5.003 4.640 -0.000 0.000 0.219 155 D C 1.005 177.303 176.300 -0.003 0.000 1.126 155 D CA -0.347 53.651 54.000 -0.004 0.000 0.890 155 D CB 0.489 41.287 40.800 -0.003 0.000 1.025 155 D HN 0.351 nan 8.370 nan 0.000 0.511 156 E N 0.951 121.148 120.200 -0.003 0.000 2.267 156 E HA -0.154 4.196 4.350 -0.000 0.000 0.197 156 E C 1.289 177.887 176.600 -0.003 0.000 0.998 156 E CA 1.070 57.468 56.400 -0.003 0.000 0.830 156 E CB 0.184 29.881 29.700 -0.003 0.000 0.751 156 E HN 0.524 nan 8.360 nan 0.000 0.491 157 T N 0.262 114.814 114.554 -0.002 0.000 2.867 157 T HA -0.097 4.253 4.350 -0.000 0.000 0.268 157 T C 2.090 176.789 174.700 -0.002 0.000 1.057 157 T CA 0.865 62.964 62.100 -0.002 0.000 1.136 157 T CB -0.075 68.791 68.868 -0.002 0.000 0.874 157 T HN 0.011 nan 8.240 nan 0.000 0.466 158 V N 1.552 121.465 119.914 -0.001 0.000 2.346 158 V HA 0.039 4.159 4.120 -0.000 0.000 0.244 158 V C 2.969 179.062 176.094 -0.001 0.000 1.037 158 V CA 1.685 63.984 62.300 -0.000 0.000 1.029 158 V CB -1.434 30.390 31.823 0.001 0.000 0.663 158 V HN 0.552 nan 8.190 nan 0.000 0.454 159 G N -0.253 108.546 108.800 -0.001 0.000 2.469 159 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.220 159 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.220 159 G C 1.657 176.555 174.900 -0.002 0.000 1.136 159 G CA 1.218 46.317 45.100 -0.001 0.000 0.759 159 G HN 0.477 nan 8.290 nan 0.000 0.562 160 K N -0.264 120.134 120.400 -0.002 0.000 2.103 160 K HA 0.154 4.474 4.320 -0.000 0.000 0.204 160 K C 2.504 179.102 176.600 -0.004 0.000 1.052 160 K CA 0.430 56.715 56.287 -0.003 0.000 0.945 160 K CB -0.208 32.291 32.500 -0.003 0.000 0.722 160 K HN 0.319 nan 8.250 nan 0.000 0.443 161 L N 0.813 122.034 121.223 -0.003 0.000 2.083 161 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 161 L C 2.182 179.048 176.870 -0.005 0.000 1.083 161 L CA 1.114 55.952 54.840 -0.004 0.000 0.752 161 L CB -0.210 41.847 42.059 -0.003 0.000 0.899 161 L HN 0.226 nan 8.230 nan 0.000 0.433 162 I N -0.769 119.798 120.570 -0.005 0.000 2.235 162 I HA -0.195 3.975 4.170 -0.000 0.000 0.241 162 I C 2.729 178.841 176.117 -0.008 0.000 1.085 162 I CA 1.054 62.350 61.300 -0.007 0.000 1.378 162 I CB -0.527 37.469 38.000 -0.006 0.000 1.076 162 I HN 0.119 nan 8.210 nan 0.000 0.415 163 A N 0.376 123.193 122.820 -0.006 0.000 1.978 163 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 163 A C 2.202 179.782 177.584 -0.006 0.000 1.170 163 A CA 1.728 53.762 52.037 -0.006 0.000 0.636 163 A CB -0.570 18.428 19.000 -0.004 0.000 0.810 163 A HN 0.476 nan 8.150 nan 0.000 0.448 164 E N -0.478 119.719 120.200 -0.006 0.000 2.076 164 E HA -0.004 4.346 4.350 -0.000 0.000 0.190 164 E C 2.389 178.985 176.600 -0.007 0.000 0.979 164 E CA 0.721 57.117 56.400 -0.006 0.000 0.807 164 E CB -0.243 29.454 29.700 -0.005 0.000 0.761 164 E HN 0.605 nan 8.360 nan 0.000 0.454 165 A N 1.330 124.145 122.820 -0.009 0.000 1.877 165 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 165 A C 2.140 179.717 177.584 -0.013 0.000 1.186 165 A CA 1.414 53.444 52.037 -0.011 0.000 0.620 165 A CB -0.441 18.552 19.000 -0.012 0.000 0.822 165 A HN 0.141 nan 8.150 nan 0.000 0.443 166 M N -1.096 118.496 119.600 -0.013 0.000 2.476 166 M HA -0.074 4.406 4.480 -0.000 0.000 0.262 166 M C 1.527 177.820 176.300 -0.011 0.000 1.079 166 M CA 1.393 56.684 55.300 -0.014 0.000 1.104 166 M CB -0.436 32.155 32.600 -0.015 0.000 1.409 166 M HN 0.491 nan 8.290 nan 0.000 0.467 167 D N 0.753 121.147 120.400 -0.009 0.000 2.149 167 D HA -0.109 4.531 4.640 -0.000 0.000 0.201 167 D C 2.110 178.406 176.300 -0.007 0.000 0.972 167 D CA 1.038 55.033 54.000 -0.007 0.000 0.835 167 D CB 0.389 41.186 40.800 -0.006 0.000 0.966 167 D HN 0.051 nan 8.370 nan 0.000 0.476 168 K N -0.046 120.350 120.400 -0.008 0.000 1.991 168 K HA -0.045 4.275 4.320 -0.000 0.000 0.207 168 K C 2.169 178.764 176.600 -0.008 0.000 1.045 168 K CA 1.323 57.605 56.287 -0.008 0.000 0.937 168 K CB -0.426 32.069 32.500 -0.008 0.000 0.720 168 K HN 0.245 nan 8.250 nan 0.000 0.438 169 V N -2.398 117.510 119.914 -0.010 0.000 3.406 169 V HA 0.264 4.384 4.120 -0.000 0.000 0.263 169 V C 0.983 177.071 176.094 -0.011 0.000 1.172 169 V CA 0.530 62.824 62.300 -0.011 0.000 1.140 169 V CB -0.617 31.198 31.823 -0.013 0.000 0.784 169 V HN 0.453 nan 8.190 nan 0.000 0.467 170 G N 0.637 109.431 108.800 -0.011 0.000 2.582 170 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.222 170 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.222 170 G C 0.136 175.027 174.900 -0.014 0.000 1.311 170 G CA 0.135 45.229 45.100 -0.011 0.000 0.915 170 G HN 0.278 nan 8.290 nan 0.000 0.528 171 K N -0.041 120.351 120.400 -0.013 0.000 2.021 171 K HA 0.032 4.352 4.320 -0.000 0.000 0.205 171 K C 2.119 178.707 176.600 -0.020 0.000 1.047 171 K CA 1.511 57.788 56.287 -0.016 0.000 0.943 171 K CB -0.114 32.379 32.500 -0.012 0.000 0.725 171 K HN 0.460 nan 8.250 nan 0.000 0.439 172 E N 0.753 120.943 120.200 -0.017 0.000 2.418 172 E HA -0.023 4.327 4.350 -0.000 0.000 0.197 172 E C 0.815 177.402 176.600 -0.021 0.000 1.026 172 E CA 0.206 56.596 56.400 -0.018 0.000 0.862 172 E CB -0.274 29.419 29.700 -0.011 0.000 0.799 172 E HN 0.261 nan 8.360 nan 0.000 0.518 173 G N 1.562 110.350 108.800 -0.020 0.000 2.391 173 G HA2 0.108 4.068 3.960 -0.000 0.000 0.234 173 G HA3 0.108 4.068 3.960 -0.000 0.000 0.234 173 G C 0.311 175.195 174.900 -0.027 0.000 1.284 173 G CA -0.377 44.711 45.100 -0.019 0.000 0.873 173 G HN -0.046 nan 8.290 nan 0.000 0.549 174 V N 3.180 123.079 119.914 -0.025 0.000 2.521 174 V HA 0.252 4.372 4.120 -0.000 0.000 0.286 174 V C 0.456 176.531 176.094 -0.032 0.000 1.034 174 V CA 0.362 62.643 62.300 -0.032 0.000 1.045 174 V CB 0.435 32.243 31.823 -0.025 0.000 0.974 174 V HN 0.515 nan 8.190 nan 0.000 0.480 175 I N 4.222 124.767 120.570 -0.042 0.000 2.512 175 I HA 0.445 4.615 4.170 -0.000 0.000 0.287 175 I C -0.142 175.953 176.117 -0.036 0.000 1.069 175 I CA -0.096 61.182 61.300 -0.036 0.000 1.056 175 I CB 2.245 40.222 38.000 -0.038 0.000 1.229 175 I HN 0.534 nan 8.210 nan 0.000 0.429 176 T N 4.961 119.500 114.554 -0.025 0.000 2.856 176 T HA 0.599 4.949 4.350 -0.000 0.000 0.283 176 T C -0.821 173.872 174.700 -0.011 0.000 1.008 176 T CA -0.707 61.382 62.100 -0.018 0.000 0.997 176 T CB 2.493 71.351 68.868 -0.017 0.000 0.992 176 T HN 0.343 nan 8.240 nan 0.000 0.454 177 V N 3.163 123.075 119.914 -0.004 0.000 2.540 177 V HA 0.775 4.895 4.120 -0.000 0.000 0.302 177 V C -0.855 175.240 176.094 0.002 0.000 1.035 177 V CA -0.516 61.783 62.300 -0.000 0.000 0.873 177 V CB 1.297 33.122 31.823 0.004 0.000 0.992 177 V HN 1.062 nan 8.190 nan 0.000 0.428 178 E N 3.631 123.831 120.200 -0.000 0.000 2.446 178 E HA 0.509 4.859 4.350 -0.000 0.000 0.267 178 E C -1.436 175.163 176.600 -0.001 0.000 0.955 178 E CA -1.148 55.252 56.400 -0.000 0.000 0.842 178 E CB 1.070 30.768 29.700 -0.003 0.000 1.504 178 E HN 0.508 nan 8.360 nan 0.000 0.438 179 D N 0.342 120.741 120.400 -0.001 0.000 2.506 179 D HA 0.188 4.828 4.640 -0.000 0.000 0.234 179 D C 0.036 176.334 176.300 -0.003 0.000 1.143 179 D CA 0.703 54.701 54.000 -0.002 0.000 0.871 179 D CB 0.936 41.734 40.800 -0.002 0.000 1.190 179 D HN 0.537 nan 8.370 nan 0.000 0.459 180 G N -0.321 108.477 108.800 -0.003 0.000 2.437 180 G HA2 0.342 4.302 3.960 -0.000 0.000 0.319 180 G HA3 0.342 4.302 3.960 -0.000 0.000 0.319 180 G C 1.100 175.998 174.900 -0.004 0.000 1.158 180 G CA -0.283 44.815 45.100 -0.003 0.000 0.899 180 G HN 0.413 nan 8.290 nan 0.000 0.502 181 T N -1.602 112.950 114.554 -0.004 0.000 2.851 181 T HA 0.382 4.732 4.350 -0.000 0.000 0.262 181 T C 1.136 175.834 174.700 -0.003 0.000 1.043 181 T CA 0.979 63.077 62.100 -0.004 0.000 1.140 181 T CB -0.038 68.827 68.868 -0.004 0.000 0.872 181 T HN 1.271 nan 8.240 nan 0.000 0.446 182 G N 0.238 109.036 108.800 -0.003 0.000 2.550 182 G HA2 0.478 4.438 3.960 -0.000 0.000 0.293 182 G HA3 0.478 4.438 3.960 -0.000 0.000 0.293 182 G C -1.476 173.422 174.900 -0.003 0.000 1.402 182 G CA -0.938 44.160 45.100 -0.003 0.000 0.784 182 G HN 0.335 nan 8.290 nan 0.000 0.482 183 L N 0.950 122.171 121.223 -0.003 0.000 2.825 183 L HA 0.245 4.585 4.340 -0.000 0.000 0.278 183 L C -0.422 176.446 176.870 -0.003 0.000 1.125 183 L CA 1.496 56.335 54.840 -0.002 0.000 1.023 183 L CB -1.101 40.957 42.059 -0.002 0.000 1.377 183 L HN 0.781 nan 8.230 nan 0.000 0.471 184 Q N 3.142 122.940 119.800 -0.003 0.000 3.379 184 Q HA 0.056 4.396 4.340 -0.000 0.000 0.148 184 Q C -1.676 174.322 176.000 -0.003 0.000 0.996 184 Q CA -0.519 55.283 55.803 -0.003 0.000 1.199 184 Q CB 0.668 29.404 28.738 -0.003 0.000 1.896 184 Q HN 0.631 nan 8.270 nan 0.000 0.587 185 D N 3.135 123.533 120.400 -0.003 0.000 2.256 185 D HA 0.241 4.881 4.640 -0.000 0.000 0.250 185 D C -0.475 175.823 176.300 -0.004 0.000 1.093 185 D CA 0.119 54.117 54.000 -0.003 0.000 0.882 185 D CB 1.181 41.980 40.800 -0.003 0.000 1.185 185 D HN 0.301 nan 8.370 nan 0.000 0.437 186 E N 0.821 121.018 120.200 -0.004 0.000 2.238 186 E HA 0.511 4.861 4.350 -0.000 0.000 0.267 186 E C -0.966 175.631 176.600 -0.005 0.000 0.887 186 E CA -0.998 55.400 56.400 -0.005 0.000 0.769 186 E CB 2.516 32.213 29.700 -0.005 0.000 1.187 186 E HN 0.087 nan 8.360 nan 0.000 0.416 187 L N 2.695 123.915 121.223 -0.006 0.000 2.376 187 L HA 0.456 4.796 4.340 -0.000 0.000 0.275 187 L C -1.757 175.109 176.870 -0.007 0.000 0.987 187 L CA -0.284 54.552 54.840 -0.006 0.000 0.828 187 L CB 1.464 43.520 42.059 -0.006 0.000 1.249 187 L HN 0.423 nan 8.230 nan 0.000 0.409 188 D N 4.509 124.905 120.400 -0.007 0.000 2.855 188 D HA 0.311 4.951 4.640 -0.000 0.000 0.241 188 D C -0.970 175.325 176.300 -0.008 0.000 1.277 188 D CA -0.176 53.819 54.000 -0.007 0.000 0.918 188 D CB 2.797 43.592 40.800 -0.007 0.000 1.462 188 D HN 0.207 nan 8.370 nan 0.000 0.559 189 V N 2.548 122.457 119.914 -0.007 0.000 2.408 189 V HA 0.267 4.387 4.120 -0.000 0.000 0.267 189 V C 0.843 176.933 176.094 -0.007 0.000 1.047 189 V CA -0.466 61.829 62.300 -0.007 0.000 0.937 189 V CB 0.945 32.764 31.823 -0.007 0.000 0.999 189 V HN 0.398 nan 8.190 nan 0.000 0.472 190 V N 2.337 122.247 119.914 -0.007 0.000 3.234 190 V HA 0.661 4.781 4.120 -0.000 0.000 0.317 190 V C 0.006 176.098 176.094 -0.004 0.000 1.147 190 V CA -1.033 61.263 62.300 -0.007 0.000 1.037 190 V CB 1.871 33.690 31.823 -0.008 0.000 1.148 190 V HN 0.659 nan 8.190 nan 0.000 0.455 191 E N 1.489 121.687 120.200 -0.004 0.000 2.166 191 E HA 0.576 4.926 4.350 -0.000 0.000 0.279 191 E C 0.112 176.714 176.600 0.004 0.000 1.095 191 E CA 0.534 56.934 56.400 -0.000 0.000 0.888 191 E CB 0.832 30.532 29.700 -0.001 0.000 1.041 191 E HN 1.080 nan 8.360 nan 0.000 0.414 192 G N 1.765 110.570 108.800 0.008 0.000 2.687 192 G HA2 0.691 4.651 3.960 -0.000 0.000 0.291 192 G HA3 0.691 4.651 3.960 -0.000 0.000 0.291 192 G C -1.159 173.758 174.900 0.028 0.000 1.420 192 G CA -0.590 44.520 45.100 0.016 0.000 0.796 192 G HN 0.365 nan 8.290 nan 0.000 0.485 193 M N -0.067 119.560 119.600 0.046 0.000 2.490 193 M HA 0.442 4.922 4.480 -0.000 0.000 0.286 193 M C -2.093 174.263 176.300 0.094 0.000 1.185 193 M CA -0.569 54.777 55.300 0.076 0.000 0.912 193 M CB 2.575 35.238 32.600 0.104 0.000 1.744 193 M HN 0.662 nan 8.290 nan 0.000 0.494 194 Q N 2.686 122.541 119.800 0.091 0.000 2.413 194 Q HA 0.801 5.141 4.340 -0.000 0.000 0.276 194 Q C -2.007 174.077 176.000 0.140 0.000 1.099 194 Q CA -0.633 55.176 55.803 0.010 0.000 0.814 194 Q CB 2.681 31.386 28.738 -0.055 0.000 1.379 194 Q HN 0.574 nan 8.270 nan 0.000 0.436 195 F N -0.979 118.968 119.950 -0.006 0.000 2.662 195 F HA 0.473 5.000 4.527 -0.000 0.000 0.312 195 F C -0.668 175.129 175.800 -0.004 0.000 1.113 195 F CA -1.197 56.801 58.000 -0.003 0.000 0.951 195 F CB 0.904 39.905 39.000 0.001 0.000 1.344 195 F HN 0.293 nan 8.300 nan 0.000 0.462 196 D N 2.106 122.621 120.400 0.190 0.000 3.085 196 D HA 0.186 4.826 4.640 -0.000 0.000 0.243 196 D C -0.343 176.013 176.300 0.093 0.000 1.232 196 D CA 0.266 54.312 54.000 0.076 0.000 0.913 196 D CB -0.214 40.635 40.800 0.082 0.000 1.108 196 D HN 0.270 nan 8.370 nan 0.000 0.468 197 R N 0.189 120.724 120.500 0.058 0.000 2.510 197 R HA 0.487 4.827 4.340 -0.000 0.000 0.294 197 R C 0.455 176.709 176.300 -0.077 0.000 1.056 197 R CA -0.642 55.510 56.100 0.086 0.000 0.918 197 R CB 1.905 32.420 30.300 0.358 0.000 1.187 197 R HN 0.144 nan 8.270 nan 0.000 0.437 198 G N 1.342 110.062 108.800 -0.133 0.000 2.543 198 G HA2 0.330 4.290 3.960 -0.000 0.000 0.267 198 G HA3 0.330 4.290 3.960 -0.000 0.000 0.267 198 G C -0.591 174.213 174.900 -0.161 0.000 1.406 198 G CA -0.423 44.510 45.100 -0.277 0.000 1.048 198 G HN 0.461 nan 8.290 nan 0.000 0.548 199 Y N -1.201 119.130 120.300 0.051 0.000 2.411 199 Y HA 0.430 4.980 4.550 -0.000 0.000 0.333 199 Y C 1.258 177.246 175.900 0.148 0.000 1.186 199 Y CA -1.100 57.063 58.100 0.105 0.000 1.381 199 Y CB 0.646 39.215 38.460 0.181 0.000 1.273 199 Y HN 0.170 nan 8.280 nan 0.000 0.546 200 L N 1.588 123.040 121.223 0.381 0.000 2.465 200 L HA 0.027 4.367 4.340 -0.000 0.000 0.224 200 L C 0.648 177.742 176.870 0.373 0.000 1.145 200 L CA 1.137 56.164 54.840 0.312 0.000 0.834 200 L CB -0.047 42.166 42.059 0.256 0.000 0.944 200 L HN 0.810 nan 8.230 nan 0.000 0.451 201 S N -2.390 113.629 115.700 0.531 0.000 2.542 201 S HA 0.388 4.858 4.470 -0.000 0.000 0.276 201 S C -2.557 172.104 174.600 0.103 0.000 1.148 201 S CA -1.151 57.222 58.200 0.288 0.000 0.886 201 S CB 1.476 64.759 63.200 0.139 0.000 1.109 201 S HN -0.282 nan 8.310 nan 0.000 0.458 202 P HA 0.276 nan 4.420 nan 0.000 0.302 202 P C -0.006 176.984 177.300 -0.516 0.000 1.301 202 P CA 0.526 63.272 63.100 -0.589 0.000 0.770 202 P CB -0.008 31.300 31.700 -0.654 0.000 1.458 203 Y N -5.257 114.851 120.300 -0.320 0.000 3.681 203 Y HA -0.287 4.263 4.550 -0.000 0.000 0.406 203 Y C 1.764 177.508 175.900 -0.260 0.000 1.163 203 Y CA 1.222 59.143 58.100 -0.298 0.000 2.338 203 Y CB -3.120 35.122 38.460 -0.363 0.000 0.885 203 Y HN 0.123 nan 8.280 nan 0.000 0.491 204 F N 0.216 120.147 119.950 -0.033 0.000 2.325 204 F HA 0.044 4.571 4.527 -0.000 0.000 0.299 204 F C 1.447 177.186 175.800 -0.101 0.000 1.090 204 F CA 0.360 58.330 58.000 -0.050 0.000 1.392 204 F CB -0.471 38.499 39.000 -0.049 0.000 1.053 204 F HN -0.063 nan 8.300 nan 0.000 0.521 205 I N 2.657 123.193 120.570 -0.057 0.000 2.691 205 I HA -0.138 4.032 4.170 -0.000 0.000 0.288 205 I C 0.832 176.933 176.117 -0.027 0.000 1.143 205 I CA 0.095 61.338 61.300 -0.094 0.000 1.364 205 I CB -0.177 37.693 38.000 -0.216 0.000 1.435 205 I HN 0.160 nan 8.210 nan 0.000 0.551 206 N N 5.049 123.756 118.700 0.011 0.000 2.422 206 N HA -0.037 4.703 4.740 -0.000 0.000 0.181 206 N C 0.133 175.645 175.510 0.003 0.000 1.080 206 N CA 0.484 53.543 53.050 0.014 0.000 0.893 206 N CB 0.275 38.779 38.487 0.030 0.000 0.973 206 N HN 0.302 nan 8.380 nan 0.000 0.456 207 K N 1.186 121.586 120.400 -0.001 0.000 2.423 207 K HA 0.255 4.575 4.320 -0.000 0.000 0.234 207 K C -2.053 174.540 176.600 -0.012 0.000 1.051 207 K CA -1.777 54.509 56.287 -0.001 0.000 1.021 207 K CB 2.077 34.582 32.500 0.008 0.000 1.474 207 K HN 0.041 nan 8.250 nan 0.000 0.474 208 P HA -0.098 nan 4.420 nan 0.000 0.223 208 P C 0.537 177.825 177.300 -0.020 0.000 1.151 208 P CA 0.980 64.062 63.100 -0.029 0.000 0.787 208 P CB 0.553 32.237 31.700 -0.026 0.000 0.788 209 E N -0.056 120.136 120.200 -0.012 0.000 2.031 209 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 209 E C 1.962 178.555 176.600 -0.011 0.000 0.994 209 E CA 2.314 58.708 56.400 -0.010 0.000 0.800 209 E CB -1.452 28.245 29.700 -0.006 0.000 0.752 209 E HN 0.363 nan 8.360 nan 0.000 0.447 210 T N -3.046 111.505 114.554 -0.004 0.000 3.035 210 T HA 0.254 4.604 4.350 -0.000 0.000 0.259 210 T C 1.477 176.181 174.700 0.008 0.000 1.078 210 T CA 0.240 62.340 62.100 -0.000 0.000 1.132 210 T CB 0.173 69.049 68.868 0.013 0.000 0.900 210 T HN 0.345 nan 8.240 nan 0.000 0.480 211 G N 1.189 109.996 108.800 0.011 0.000 2.303 211 G HA2 0.246 4.206 3.960 -0.000 0.000 0.260 211 G HA3 0.246 4.206 3.960 -0.000 0.000 0.260 211 G C -0.048 174.910 174.900 0.098 0.000 1.106 211 G CA -0.222 44.895 45.100 0.028 0.000 0.900 211 G HN 1.170 nan 8.290 nan 0.000 0.495 212 A N -1.177 121.686 122.820 0.070 0.000 2.556 212 A HA 0.914 5.234 4.320 -0.000 0.000 0.294 212 A C -0.427 177.201 177.584 0.073 0.000 1.091 212 A CA -0.320 51.789 52.037 0.122 0.000 0.704 212 A CB 2.018 21.075 19.000 0.095 0.000 1.300 212 A HN 1.381 nan 8.150 nan 0.000 0.406 213 V N 1.344 121.323 119.914 0.108 0.000 2.370 213 V HA 0.537 4.657 4.120 -0.000 0.000 0.279 213 V C 0.017 176.142 176.094 0.051 0.000 1.029 213 V CA -0.252 62.093 62.300 0.074 0.000 0.870 213 V CB 1.147 33.032 31.823 0.103 0.000 0.984 213 V HN 0.887 nan 8.190 nan 0.000 0.451 214 E N 5.374 125.595 120.200 0.034 0.000 2.220 214 E HA 0.600 4.950 4.350 -0.000 0.000 0.256 214 E C -1.701 174.909 176.600 0.016 0.000 0.881 214 E CA -0.562 55.851 56.400 0.021 0.000 0.766 214 E CB 1.375 31.085 29.700 0.017 0.000 1.187 214 E HN 0.650 nan 8.360 nan 0.000 0.419 215 L N 3.354 124.583 121.223 0.010 0.000 2.346 215 L HA 0.527 4.867 4.340 -0.000 0.000 0.274 215 L C -0.212 176.655 176.870 -0.005 0.000 1.007 215 L CA -0.819 54.025 54.840 0.006 0.000 0.818 215 L CB 1.994 44.057 42.059 0.006 0.000 1.284 215 L HN 0.503 nan 8.230 nan 0.000 0.424 216 E N 1.049 121.243 120.200 -0.009 0.000 2.171 216 E HA 0.366 4.716 4.350 -0.000 0.000 0.271 216 E C -0.492 176.083 176.600 -0.042 0.000 0.916 216 E CA -0.577 55.809 56.400 -0.022 0.000 0.774 216 E CB 1.715 31.406 29.700 -0.016 0.000 1.128 216 E HN 0.612 nan 8.360 nan 0.000 0.403 217 S N 1.280 116.940 115.700 -0.066 0.000 3.706 217 S HA -0.118 4.352 4.470 -0.000 0.000 0.363 217 S C -2.520 171.967 174.600 -0.188 0.000 0.999 217 S CA 0.114 58.242 58.200 -0.120 0.000 1.143 217 S CB -1.395 61.740 63.200 -0.107 0.000 0.902 217 S HN 0.406 nan 8.310 nan 0.000 0.476 218 P HA 0.635 nan 4.420 nan 0.000 0.290 218 P C 0.004 177.186 177.300 -0.196 0.000 1.275 218 P CA -0.732 62.298 63.100 -0.116 0.000 0.841 218 P CB 0.479 32.164 31.700 -0.025 0.000 1.042 219 F N 1.089 121.041 119.950 0.003 0.000 2.382 219 F HA 0.378 4.905 4.527 -0.000 0.000 0.331 219 F C 0.860 176.662 175.800 0.003 0.000 1.121 219 F CA 0.202 58.204 58.000 0.003 0.000 1.183 219 F CB 0.375 39.376 39.000 0.002 0.000 1.207 219 F HN 0.036 nan 8.300 nan 0.000 0.555 220 I N 3.527 124.219 120.570 0.203 0.000 2.439 220 I HA 0.229 4.399 4.170 -0.000 0.000 0.285 220 I C -1.149 175.025 176.117 0.095 0.000 1.021 220 I CA -0.760 60.607 61.300 0.112 0.000 1.091 220 I CB 1.766 39.809 38.000 0.073 0.000 1.242 220 I HN 0.319 nan 8.210 nan 0.000 0.439 221 L N 7.931 129.195 121.223 0.067 0.000 2.305 221 L HA 0.473 4.813 4.340 -0.000 0.000 0.281 221 L C -1.025 175.860 176.870 0.025 0.000 1.085 221 L CA 0.196 55.060 54.840 0.040 0.000 0.813 221 L CB 0.688 42.763 42.059 0.026 0.000 1.157 221 L HN 0.484 nan 8.230 nan 0.000 0.436 222 L N 6.382 127.615 121.223 0.016 0.000 2.401 222 L HA 0.717 5.057 4.340 -0.000 0.000 0.263 222 L C -0.501 176.367 176.870 -0.004 0.000 1.004 222 L CA -0.180 54.660 54.840 -0.000 0.000 0.881 222 L CB 1.331 43.387 42.059 -0.004 0.000 1.219 222 L HN 0.769 nan 8.230 nan 0.000 0.441 223 A N 1.202 124.018 122.820 -0.006 0.000 2.355 223 A HA 0.559 4.879 4.320 -0.000 0.000 0.317 223 A C -0.873 176.706 177.584 -0.007 0.000 1.094 223 A CA -0.509 51.526 52.037 -0.004 0.000 0.764 223 A CB 1.386 20.387 19.000 0.002 0.000 1.230 223 A HN 0.564 nan 8.150 nan 0.000 0.448 224 D N 1.620 122.016 120.400 -0.007 0.000 2.639 224 D HA 0.410 5.050 4.640 -0.000 0.000 0.233 224 D C -0.125 176.176 176.300 0.002 0.000 1.161 224 D CA 0.179 54.175 54.000 -0.006 0.000 1.003 224 D CB -0.476 40.318 40.800 -0.010 0.000 1.034 224 D HN 0.599 nan 8.370 nan 0.000 0.514 225 K N -0.565 119.839 120.400 0.007 0.000 2.658 225 K HA 0.377 4.697 4.320 -0.000 0.000 0.293 225 K C -1.145 175.465 176.600 0.017 0.000 1.026 225 K CA -1.163 55.131 56.287 0.012 0.000 0.871 225 K CB 0.885 33.391 32.500 0.010 0.000 1.524 225 K HN -0.207 nan 8.250 nan 0.000 0.400 226 K N 1.583 121.995 120.400 0.021 0.000 2.262 226 K HA 0.337 4.657 4.320 -0.000 0.000 0.282 226 K C -0.675 175.940 176.600 0.025 0.000 1.066 226 K CA -0.391 55.911 56.287 0.025 0.000 0.901 226 K CB 0.538 33.054 32.500 0.027 0.000 1.089 226 K HN 0.400 nan 8.250 nan 0.000 0.476 227 I N 2.820 123.407 120.570 0.028 0.000 2.316 227 I HA 0.039 4.209 4.170 -0.000 0.000 0.286 227 I C 0.703 176.840 176.117 0.033 0.000 1.107 227 I CA 0.023 61.340 61.300 0.028 0.000 1.219 227 I CB 0.996 39.013 38.000 0.028 0.000 1.455 227 I HN 0.558 nan 8.210 nan 0.000 0.498 228 S N 3.005 118.722 115.700 0.029 0.000 2.528 228 S HA 0.162 4.632 4.470 -0.000 0.000 0.219 228 S C 0.625 175.241 174.600 0.026 0.000 0.985 228 S CA 0.213 58.431 58.200 0.029 0.000 0.914 228 S CB -0.135 63.080 63.200 0.025 0.000 0.776 228 S HN 0.568 nan 8.310 nan 0.000 0.526 229 N N 0.978 119.691 118.700 0.023 0.000 2.372 229 N HA 0.363 5.103 4.740 -0.000 0.000 0.285 229 N C -0.464 175.058 175.510 0.020 0.000 1.008 229 N CA -0.267 52.795 53.050 0.019 0.000 0.880 229 N CB 1.756 40.251 38.487 0.014 0.000 1.239 229 N HN 0.063 nan 8.380 nan 0.000 0.484 230 I N 1.869 122.452 120.570 0.021 0.000 3.686 230 I HA 0.032 4.202 4.170 -0.000 0.000 0.308 230 I C 2.040 178.165 176.117 0.014 0.000 1.254 230 I CA 0.302 61.615 61.300 0.022 0.000 1.175 230 I CB -0.009 38.007 38.000 0.026 0.000 1.009 230 I HN 0.414 nan 8.210 nan 0.000 0.459 231 R N 0.740 121.246 120.500 0.011 0.000 2.066 231 R HA -0.100 4.240 4.340 -0.000 0.000 0.224 231 R C 1.820 178.123 176.300 0.004 0.000 1.122 231 R CA 1.384 57.488 56.100 0.007 0.000 0.974 231 R CB -0.029 30.274 30.300 0.006 0.000 0.871 231 R HN 0.421 nan 8.270 nan 0.000 0.435 232 E N 0.295 120.499 120.200 0.006 0.000 2.204 232 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 232 E C 1.849 178.449 176.600 0.001 0.000 0.990 232 E CA 0.947 57.349 56.400 0.003 0.000 0.821 232 E CB -0.038 29.665 29.700 0.005 0.000 0.750 232 E HN 0.322 nan 8.360 nan 0.000 0.477 233 M N 0.551 120.153 119.600 0.004 0.000 2.394 233 M HA -0.022 4.458 4.480 -0.000 0.000 0.264 233 M C 2.175 178.473 176.300 -0.004 0.000 1.073 233 M CA 0.892 56.193 55.300 0.002 0.000 1.111 233 M CB -0.565 32.042 32.600 0.011 0.000 1.401 233 M HN 0.191 nan 8.290 nan 0.000 0.448 234 L N 0.711 121.932 121.223 -0.003 0.000 2.021 234 L HA -0.226 4.114 4.340 -0.000 0.000 0.215 234 L C -0.219 176.643 176.870 -0.015 0.000 1.074 234 L CA 1.781 56.617 54.840 -0.006 0.000 0.760 234 L CB -2.518 39.539 42.059 -0.004 0.000 0.889 234 L HN 0.195 nan 8.230 nan 0.000 0.433 235 P HA -0.110 nan 4.420 nan 0.000 0.217 235 P C 1.838 179.115 177.300 -0.039 0.000 1.150 235 P CA 1.340 64.425 63.100 -0.025 0.000 0.832 235 P CB 0.069 31.756 31.700 -0.022 0.000 0.787 236 V N 0.382 120.274 119.914 -0.037 0.000 2.302 236 V HA -0.158 3.962 4.120 -0.000 0.000 0.243 236 V C 2.813 178.870 176.094 -0.062 0.000 1.036 236 V CA 1.338 63.605 62.300 -0.055 0.000 1.020 236 V CB -1.329 30.471 31.823 -0.039 0.000 0.657 236 V HN -0.032 nan 8.190 nan 0.000 0.453 237 L N -0.149 121.053 121.223 -0.035 0.000 2.187 237 L HA -0.193 4.147 4.340 -0.000 0.000 0.213 237 L C 2.451 179.302 176.870 -0.033 0.000 1.100 237 L CA 1.503 56.328 54.840 -0.025 0.000 0.765 237 L CB -0.480 41.577 42.059 -0.003 0.000 0.904 237 L HN 0.427 nan 8.230 nan 0.000 0.437 238 E N -0.409 119.769 120.200 -0.038 0.000 2.299 238 E HA -0.054 4.296 4.350 -0.000 0.000 0.193 238 E C 2.152 178.717 176.600 -0.058 0.000 0.998 238 E CA 0.673 57.051 56.400 -0.037 0.000 0.851 238 E CB 0.065 29.748 29.700 -0.028 0.000 0.795 238 E HN 0.469 nan 8.360 nan 0.000 0.492 239 A N 0.484 123.250 122.820 -0.089 0.000 2.123 239 A HA -0.011 4.309 4.320 -0.000 0.000 0.214 239 A C 2.117 179.581 177.584 -0.200 0.000 1.152 239 A CA 0.497 52.453 52.037 -0.136 0.000 0.728 239 A CB 0.191 19.095 19.000 -0.159 0.000 0.814 239 A HN 0.084 nan 8.150 nan 0.000 0.464 240 V N -0.951 118.865 119.914 -0.162 0.000 2.949 240 V HA 0.016 4.136 4.120 -0.000 0.000 0.245 240 V C 2.786 178.863 176.094 -0.028 0.000 1.086 240 V CA 1.113 63.332 62.300 -0.135 0.000 1.097 240 V CB -0.574 31.200 31.823 -0.082 0.000 0.762 240 V HN 0.500 nan 8.190 nan 0.000 0.470 241 A N 0.025 122.833 122.820 -0.021 0.000 2.070 241 A HA -0.117 4.203 4.320 -0.000 0.000 0.220 241 A C 1.341 178.928 177.584 0.005 0.000 1.159 241 A CA 1.109 53.148 52.037 0.002 0.000 0.656 241 A CB -0.297 18.703 19.000 -0.001 0.000 0.800 241 A HN 0.541 nan 8.150 nan 0.000 0.453 242 K N -2.253 118.140 120.400 -0.013 0.000 2.098 242 K HA 0.497 4.817 4.320 -0.000 0.000 0.257 242 K C 0.993 177.608 176.600 0.025 0.000 0.999 242 K CA 0.205 56.490 56.287 -0.003 0.000 0.924 242 K CB 0.750 33.236 32.500 -0.023 0.000 1.028 242 K HN 0.558 nan 8.250 nan 0.000 0.466 243 A N 1.361 124.207 122.820 0.045 0.000 4.109 243 A HA -0.206 4.114 4.320 -0.000 0.000 0.250 243 A C 1.091 178.730 177.584 0.091 0.000 0.772 243 A CA 1.466 53.555 52.037 0.087 0.000 1.320 243 A CB -2.400 16.695 19.000 0.159 0.000 1.076 243 A HN 1.533 nan 8.150 nan 0.000 0.723 244 G N -0.668 108.181 108.800 0.083 0.000 2.351 244 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.297 244 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.297 244 G C -0.289 174.668 174.900 0.094 0.000 1.054 244 G CA 1.285 46.428 45.100 0.073 0.000 1.123 244 G HN 1.217 nan 8.290 nan 0.000 0.512 245 K N 0.227 120.718 120.400 0.151 0.000 2.328 245 K HA 0.560 4.880 4.320 -0.000 0.000 0.246 245 K C -2.345 174.351 176.600 0.161 0.000 0.955 245 K CA -2.216 54.164 56.287 0.155 0.000 0.817 245 K CB 2.414 35.050 32.500 0.226 0.000 1.208 245 K HN 0.043 nan 8.250 nan 0.000 0.432 246 P HA 0.097 nan 4.420 nan 0.000 0.274 246 P C -1.244 176.136 177.300 0.133 0.000 1.264 246 P CA -0.500 62.653 63.100 0.088 0.000 0.795 246 P CB 0.419 32.146 31.700 0.045 0.000 1.064 247 L N -0.122 121.155 121.223 0.090 0.000 2.482 247 L HA 0.587 4.927 4.340 -0.000 0.000 0.263 247 L C -1.753 175.139 176.870 0.035 0.000 0.957 247 L CA -0.788 54.111 54.840 0.099 0.000 0.836 247 L CB 1.779 43.892 42.059 0.090 0.000 1.324 247 L HN 0.101 nan 8.230 nan 0.000 0.406 248 L N 5.122 126.373 121.223 0.046 0.000 2.334 248 L HA 0.711 5.051 4.340 -0.000 0.000 0.276 248 L C -1.237 175.645 176.870 0.019 0.000 1.014 248 L CA -0.280 54.569 54.840 0.014 0.000 0.815 248 L CB 1.629 43.707 42.059 0.033 0.000 1.268 248 L HN 0.453 nan 8.230 nan 0.000 0.428 249 I N 6.633 127.200 120.570 -0.006 0.000 2.420 249 I HA 0.339 4.509 4.170 -0.000 0.000 0.282 249 I C -0.468 175.662 176.117 0.023 0.000 1.019 249 I CA -0.306 60.997 61.300 0.004 0.000 1.130 249 I CB 1.104 39.096 38.000 -0.013 0.000 1.262 249 I HN 0.494 nan 8.210 nan 0.000 0.454 250 I N 5.713 126.298 120.570 0.026 0.000 2.412 250 I HA 0.564 4.734 4.170 -0.000 0.000 0.279 250 I C 0.505 176.620 176.117 -0.004 0.000 1.063 250 I CA -0.152 61.159 61.300 0.018 0.000 1.193 250 I CB 1.035 39.030 38.000 -0.007 0.000 1.370 250 I HN 0.622 nan 8.210 nan 0.000 0.479 251 A N 4.155 126.981 122.820 0.010 0.000 2.468 251 A HA 0.480 4.800 4.320 -0.000 0.000 0.270 251 A C 0.996 178.587 177.584 0.012 0.000 1.217 251 A CA -0.447 51.595 52.037 0.008 0.000 0.908 251 A CB 1.105 20.116 19.000 0.019 0.000 1.423 251 A HN 0.631 nan 8.150 nan 0.000 0.459 252 E N -1.017 119.193 120.200 0.017 0.000 2.072 252 E HA -0.076 4.274 4.350 -0.000 0.000 0.190 252 E C -0.550 176.074 176.600 0.039 0.000 0.982 252 E CA 1.138 57.554 56.400 0.026 0.000 0.803 252 E CB 0.195 29.912 29.700 0.027 0.000 0.755 252 E HN 0.566 nan 8.360 nan 0.000 0.453 253 D N -1.575 118.850 120.400 0.041 0.000 2.648 253 D HA 0.220 4.860 4.640 -0.000 0.000 0.244 253 D C -1.801 174.531 176.300 0.054 0.000 1.244 253 D CA -0.512 53.518 54.000 0.051 0.000 0.772 253 D CB 2.411 43.239 40.800 0.047 0.000 1.379 253 D HN -0.150 nan 8.370 nan 0.000 0.428 254 V N 2.402 122.358 119.914 0.069 0.000 2.409 254 V HA 0.432 4.552 4.120 -0.000 0.000 0.290 254 V C -0.257 175.887 176.094 0.083 0.000 1.017 254 V CA -0.575 61.771 62.300 0.076 0.000 0.841 254 V CB 1.532 33.409 31.823 0.089 0.000 1.003 254 V HN 0.375 nan 8.190 nan 0.000 0.426 255 E N 2.436 122.675 120.200 0.065 0.000 2.277 255 E HA 0.679 5.029 4.350 -0.000 0.000 0.266 255 E C 0.958 177.588 176.600 0.049 0.000 0.901 255 E CA -0.125 56.309 56.400 0.057 0.000 0.782 255 E CB 2.285 32.011 29.700 0.044 0.000 1.228 255 E HN 0.756 nan 8.360 nan 0.000 0.424 256 G N 2.214 111.040 108.800 0.043 0.000 2.704 256 G HA2 -0.467 3.493 3.960 -0.000 0.000 0.344 256 G HA3 -0.467 3.493 3.960 -0.000 0.000 0.344 256 G C 1.145 176.063 174.900 0.030 0.000 1.200 256 G CA 0.936 46.054 45.100 0.031 0.000 0.962 256 G HN 0.656 nan 8.290 nan 0.000 0.552 257 E N 1.452 121.667 120.200 0.025 0.000 2.077 257 E HA -0.031 4.319 4.350 -0.000 0.000 0.193 257 E C 3.028 179.647 176.600 0.032 0.000 0.989 257 E CA 1.958 58.371 56.400 0.022 0.000 0.800 257 E CB -0.566 29.144 29.700 0.017 0.000 0.746 257 E HN 0.725 nan 8.360 nan 0.000 0.452 258 A N 1.009 123.854 122.820 0.041 0.000 1.898 258 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 258 A C 2.215 179.848 177.584 0.082 0.000 1.181 258 A CA 1.278 53.347 52.037 0.054 0.000 0.620 258 A CB -0.572 18.459 19.000 0.052 0.000 0.819 258 A HN 0.314 nan 8.150 nan 0.000 0.442 259 L N -0.537 120.741 121.223 0.091 0.000 2.072 259 L HA 0.089 4.429 4.340 -0.000 0.000 0.205 259 L C 2.644 179.569 176.870 0.091 0.000 1.079 259 L CA 1.968 56.888 54.840 0.134 0.000 0.752 259 L CB -0.580 41.558 42.059 0.131 0.000 0.906 259 L HN 0.303 nan 8.230 nan 0.000 0.436 260 A N -1.730 121.114 122.820 0.040 0.000 2.015 260 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 260 A C 2.165 179.740 177.584 -0.015 0.000 1.163 260 A CA 2.036 54.068 52.037 -0.008 0.000 0.646 260 A CB -0.935 18.056 19.000 -0.014 0.000 0.806 260 A HN 0.520 nan 8.150 nan 0.000 0.448 261 T N -0.010 114.554 114.554 0.018 0.000 2.894 261 T HA 0.073 4.423 4.350 -0.000 0.000 0.258 261 T C 1.819 176.546 174.700 0.045 0.000 1.043 261 T CA 0.951 63.062 62.100 0.019 0.000 1.141 261 T CB -0.262 68.621 68.868 0.025 0.000 0.873 261 T HN 0.327 nan 8.240 nan 0.000 0.449 262 L N 0.990 122.272 121.223 0.099 0.000 2.017 262 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 262 L C 2.672 179.662 176.870 0.201 0.000 1.073 262 L CA 1.028 55.984 54.840 0.193 0.000 0.745 262 L CB -0.706 41.528 42.059 0.292 0.000 0.894 262 L HN 0.126 nan 8.230 nan 0.000 0.432 263 V N -0.699 119.241 119.914 0.044 0.000 2.392 263 V HA -0.262 3.858 4.120 -0.000 0.000 0.249 263 V C 2.292 178.276 176.094 -0.182 0.000 1.059 263 V CA 1.538 63.685 62.300 -0.256 0.000 1.051 263 V CB -0.230 31.387 31.823 -0.344 0.000 0.658 263 V HN 0.228 nan 8.190 nan 0.000 0.455 264 V N -0.191 119.659 119.914 -0.106 0.000 2.446 264 V HA -0.135 3.985 4.120 -0.000 0.000 0.244 264 V C 2.050 178.121 176.094 -0.037 0.000 1.039 264 V CA 1.841 64.082 62.300 -0.098 0.000 1.045 264 V CB -0.672 31.100 31.823 -0.086 0.000 0.681 264 V HN 0.578 nan 8.190 nan 0.000 0.459 265 N N 0.410 119.113 118.700 0.005 0.000 2.270 265 N HA -0.138 4.602 4.740 -0.000 0.000 0.181 265 N C 1.964 177.503 175.510 0.049 0.000 1.016 265 N CA 1.764 54.830 53.050 0.026 0.000 0.870 265 N CB 0.008 38.517 38.487 0.036 0.000 0.979 265 N HN 0.657 nan 8.380 nan 0.000 0.431 266 T N -1.028 113.579 114.554 0.088 0.000 2.942 266 T HA -0.011 4.339 4.350 -0.000 0.000 0.265 266 T C 1.825 176.570 174.700 0.076 0.000 1.062 266 T CA 0.429 62.599 62.100 0.116 0.000 1.139 266 T CB -0.085 68.924 68.868 0.235 0.000 0.883 266 T HN 0.061 nan 8.240 nan 0.000 0.468 267 M N 0.279 119.900 119.600 0.036 0.000 2.460 267 M HA 0.137 4.617 4.480 -0.000 0.000 0.263 267 M C 2.164 178.466 176.300 0.003 0.000 1.071 267 M CA 1.032 56.336 55.300 0.006 0.000 1.096 267 M CB -0.025 32.544 32.600 -0.052 0.000 1.408 267 M HN 0.205 nan 8.290 nan 0.000 0.463 268 R N -1.270 119.233 120.500 0.006 0.000 2.265 268 R HA 0.178 4.518 4.340 -0.000 0.000 0.194 268 R C 1.224 177.532 176.300 0.013 0.000 0.931 268 R CA 0.665 56.767 56.100 0.004 0.000 1.032 268 R CB 0.471 30.770 30.300 -0.002 0.000 0.980 268 R HN 0.528 nan 8.270 nan 0.000 0.497 269 G N 1.245 110.060 108.800 0.025 0.000 2.179 269 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.220 269 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.220 269 G C 0.241 175.159 174.900 0.031 0.000 0.990 269 G CA -0.404 44.714 45.100 0.029 0.000 0.646 269 G HN 0.201 nan 8.290 nan 0.000 0.517 270 I N 2.085 122.673 120.570 0.030 0.000 2.472 270 I HA 0.348 4.518 4.170 -0.000 0.000 0.305 270 I C 0.831 176.972 176.117 0.039 0.000 1.196 270 I CA -0.186 61.132 61.300 0.028 0.000 1.613 270 I CB -0.174 37.839 38.000 0.022 0.000 1.501 270 I HN 0.153 nan 8.210 nan 0.000 0.754 271 V N 4.119 124.058 119.914 0.041 0.000 3.497 271 V HA -0.219 3.901 4.120 -0.000 0.000 0.484 271 V C 0.326 176.458 176.094 0.063 0.000 0.682 271 V CA 0.257 62.586 62.300 0.049 0.000 2.014 271 V CB -1.249 30.599 31.823 0.042 0.000 2.451 271 V HN 0.731 nan 8.190 nan 0.000 0.502 272 K N 4.061 124.499 120.400 0.064 0.000 2.382 272 K HA 0.520 4.840 4.320 -0.000 0.000 0.286 272 K C -0.283 176.355 176.600 0.063 0.000 1.062 272 K CA 0.152 56.483 56.287 0.073 0.000 1.000 272 K CB 0.896 33.434 32.500 0.062 0.000 0.954 272 K HN 0.552 nan 8.250 nan 0.000 0.470 273 V N 1.726 121.680 119.914 0.067 0.000 2.789 273 V HA 0.790 4.910 4.120 -0.000 0.000 0.311 273 V C -0.670 175.317 176.094 -0.179 0.000 1.073 273 V CA -1.196 61.101 62.300 -0.005 0.000 0.921 273 V CB 2.004 33.840 31.823 0.021 0.000 1.009 273 V HN 0.742 nan 8.190 nan 0.000 0.426 274 A N 2.725 125.348 122.820 -0.329 0.000 2.371 274 A HA 0.970 5.290 4.320 -0.000 0.000 0.311 274 A C -0.359 176.894 177.584 -0.551 0.000 1.068 274 A CA -0.358 51.237 52.037 -0.737 0.000 0.744 274 A CB 1.738 20.510 19.000 -0.380 0.000 1.239 274 A HN 1.504 nan 8.150 nan 0.000 0.435 275 A N 1.462 123.842 122.820 -0.734 0.000 2.303 275 A HA 0.732 5.052 4.320 -0.000 0.000 0.320 275 A C -0.265 177.300 177.584 -0.032 0.000 1.192 275 A CA -0.195 51.708 52.037 -0.224 0.000 0.821 275 A CB 0.615 19.580 19.000 -0.058 0.000 1.188 275 A HN 2.200 nan 8.150 nan 0.000 0.492 276 V N 0.160 120.096 119.914 0.037 0.000 2.841 276 V HA 0.606 4.726 4.120 -0.000 0.000 0.310 276 V C -0.442 175.725 176.094 0.121 0.000 1.090 276 V CA -1.163 61.202 62.300 0.109 0.000 0.930 276 V CB 1.401 33.318 31.823 0.157 0.000 1.014 276 V HN 0.838 nan 8.190 nan 0.000 0.425 277 K N 2.189 122.664 120.400 0.126 0.000 2.219 277 K HA 0.690 5.010 4.320 -0.000 0.000 0.258 277 K C 0.484 177.134 176.600 0.084 0.000 1.008 277 K CA 0.284 56.629 56.287 0.095 0.000 0.928 277 K CB 1.155 33.706 32.500 0.085 0.000 0.983 277 K HN 1.131 nan 8.250 nan 0.000 0.484 278 A N 2.895 125.719 122.820 0.007 0.000 2.351 278 A HA 0.325 4.645 4.320 -0.000 0.000 0.257 278 A C -2.284 175.262 177.584 -0.063 0.000 1.087 278 A CA -1.272 50.704 52.037 -0.102 0.000 0.798 278 A CB -0.132 18.813 19.000 -0.091 0.000 1.033 278 A HN 0.384 nan 8.150 nan 0.000 0.488 279 P HA 0.451 nan 4.420 nan 0.000 0.278 279 P C 0.847 178.163 177.300 0.026 0.000 1.238 279 P CA 1.399 64.477 63.100 -0.036 0.000 0.794 279 P CB 0.869 32.481 31.700 -0.147 0.000 0.955 280 G N 1.729 110.596 108.800 0.113 0.000 2.569 280 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.259 280 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.259 280 G C -0.902 174.181 174.900 0.304 0.000 1.263 280 G CA 0.270 45.485 45.100 0.192 0.000 0.928 280 G HN 0.705 nan 8.290 nan 0.000 0.572 281 F N -2.242 117.715 119.950 0.013 0.000 2.650 281 F HA 0.692 5.219 4.527 -0.000 0.000 0.310 281 F C 0.876 176.684 175.800 0.015 0.000 1.112 281 F CA 0.490 58.499 58.000 0.014 0.000 0.986 281 F CB 1.104 40.118 39.000 0.023 0.000 1.285 281 F HN 2.444 nan 8.300 nan 0.000 0.440 282 G N 2.503 111.318 108.800 0.025 0.000 2.609 282 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.288 282 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.288 282 G C 0.467 175.315 174.900 -0.088 0.000 1.211 282 G CA 0.679 45.747 45.100 -0.054 0.000 0.963 282 G HN 0.775 nan 8.290 nan 0.000 0.541 283 D N 0.990 121.308 120.400 -0.136 0.000 2.103 283 D HA -0.016 4.624 4.640 -0.000 0.000 0.199 283 D C 2.509 178.747 176.300 -0.102 0.000 0.978 283 D CA 1.599 55.539 54.000 -0.100 0.000 0.829 283 D CB -0.271 40.473 40.800 -0.093 0.000 0.981 283 D HN 0.658 nan 8.370 nan 0.000 0.464 284 R N 1.088 121.503 120.500 -0.143 0.000 2.235 284 R HA 0.042 4.382 4.340 -0.000 0.000 0.213 284 R C 2.077 178.319 176.300 -0.097 0.000 1.059 284 R CA 0.653 56.680 56.100 -0.121 0.000 0.997 284 R CB -0.153 30.061 30.300 -0.144 0.000 0.884 284 R HN 0.002 nan 8.270 nan 0.000 0.462 285 R N 1.335 121.781 120.500 -0.090 0.000 2.092 285 R HA -0.087 4.253 4.340 -0.000 0.000 0.231 285 R C 1.322 177.585 176.300 -0.061 0.000 1.119 285 R CA 1.764 57.832 56.100 -0.053 0.000 0.970 285 R CB 0.011 30.307 30.300 -0.006 0.000 0.864 285 R HN 0.304 nan 8.270 nan 0.000 0.440 286 K N -0.131 120.235 120.400 -0.055 0.000 2.116 286 K HA 0.025 4.345 4.320 -0.000 0.000 0.203 286 K C 2.137 178.704 176.600 -0.054 0.000 1.052 286 K CA 1.030 57.287 56.287 -0.049 0.000 0.952 286 K CB -0.062 32.415 32.500 -0.038 0.000 0.729 286 K HN 0.165 nan 8.250 nan 0.000 0.446 287 A N 1.648 124.433 122.820 -0.059 0.000 1.902 287 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 287 A C 2.143 179.689 177.584 -0.063 0.000 1.181 287 A CA 1.485 53.487 52.037 -0.057 0.000 0.623 287 A CB -0.496 18.468 19.000 -0.060 0.000 0.818 287 A HN 0.180 nan 8.150 nan 0.000 0.443 288 M N -0.861 118.693 119.600 -0.077 0.000 2.296 288 M HA -0.021 4.459 4.480 -0.000 0.000 0.265 288 M C 1.846 178.076 176.300 -0.116 0.000 1.064 288 M CA 0.978 56.220 55.300 -0.096 0.000 1.109 288 M CB -0.359 32.175 32.600 -0.111 0.000 1.396 288 M HN 0.354 nan 8.290 nan 0.000 0.430 289 L N -0.288 120.873 121.223 -0.103 0.000 2.291 289 L HA -0.175 4.165 4.340 -0.000 0.000 0.214 289 L C 2.449 179.278 176.870 -0.067 0.000 1.120 289 L CA 0.751 55.533 54.840 -0.097 0.000 0.799 289 L CB -0.285 41.729 42.059 -0.075 0.000 0.925 289 L HN 0.284 nan 8.230 nan 0.000 0.446 290 Q N -0.193 119.574 119.800 -0.055 0.000 2.354 290 Q HA -0.125 4.215 4.340 -0.000 0.000 0.203 290 Q C 1.445 177.423 176.000 -0.037 0.000 0.933 290 Q CA 1.115 56.895 55.803 -0.039 0.000 0.901 290 Q CB 0.158 28.876 28.738 -0.033 0.000 1.007 290 Q HN 0.315 nan 8.270 nan 0.000 0.495 291 D N -0.480 119.891 120.400 -0.047 0.000 2.149 291 D HA -0.055 4.585 4.640 -0.000 0.000 0.201 291 D C 1.441 177.724 176.300 -0.030 0.000 0.972 291 D CA 1.081 55.058 54.000 -0.037 0.000 0.835 291 D CB 0.085 40.859 40.800 -0.043 0.000 0.966 291 D HN 0.357 nan 8.370 nan 0.000 0.476 292 I N 0.463 121.005 120.570 -0.046 0.000 2.406 292 I HA -0.095 4.075 4.170 -0.000 0.000 0.249 292 I C 2.326 178.435 176.117 -0.014 0.000 1.122 292 I CA 0.643 61.926 61.300 -0.029 0.000 1.431 292 I CB -0.155 37.807 38.000 -0.064 0.000 1.087 292 I HN -0.089 nan 8.210 nan 0.000 0.424 293 A N 0.752 123.559 122.820 -0.021 0.000 1.930 293 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 293 A C 2.387 179.969 177.584 -0.003 0.000 1.175 293 A CA 2.263 54.295 52.037 -0.009 0.000 0.627 293 A CB -1.005 17.988 19.000 -0.013 0.000 0.815 293 A HN 0.391 nan 8.150 nan 0.000 0.443 294 T N 0.369 114.918 114.554 -0.008 0.000 2.777 294 T HA -0.072 4.278 4.350 -0.000 0.000 0.266 294 T C 1.855 176.555 174.700 -0.001 0.000 1.040 294 T CA 1.112 63.209 62.100 -0.005 0.000 1.141 294 T CB -0.312 68.551 68.868 -0.008 0.000 0.868 294 T HN 0.286 nan 8.240 nan 0.000 0.444 295 L N 2.040 123.263 121.223 0.000 0.000 2.083 295 L HA -0.107 4.233 4.340 -0.000 0.000 0.209 295 L C 2.479 179.353 176.870 0.007 0.000 1.083 295 L CA 2.461 57.304 54.840 0.005 0.000 0.752 295 L CB -1.286 40.781 42.059 0.012 0.000 0.899 295 L HN 0.493 nan 8.230 nan 0.000 0.433 296 T N -4.189 110.370 114.554 0.009 0.000 3.051 296 T HA 0.226 4.576 4.350 -0.000 0.000 0.255 296 T C 1.296 176.002 174.700 0.009 0.000 1.085 296 T CA 0.605 62.711 62.100 0.009 0.000 1.109 296 T CB 0.228 69.106 68.868 0.016 0.000 0.921 296 T HN 0.536 nan 8.240 nan 0.000 0.488 297 G N 0.387 109.194 108.800 0.012 0.000 2.167 297 G HA2 0.179 4.139 3.960 -0.000 0.000 0.194 297 G HA3 0.179 4.139 3.960 -0.000 0.000 0.194 297 G C 0.221 175.136 174.900 0.025 0.000 1.027 297 G CA -0.294 44.815 45.100 0.015 0.000 0.717 297 G HN 0.984 nan 8.290 nan 0.000 0.501 298 G N -1.429 107.386 108.800 0.023 0.000 3.016 298 G HA2 0.843 4.803 3.960 -0.000 0.000 0.270 298 G HA3 0.843 4.803 3.960 -0.000 0.000 0.270 298 G C -0.575 174.335 174.900 0.017 0.000 1.352 298 G CA 0.102 45.220 45.100 0.030 0.000 1.060 298 G HN 0.757 nan 8.290 nan 0.000 0.538 299 T N 0.148 114.711 114.554 0.016 0.000 2.881 299 T HA 0.401 4.751 4.350 -0.000 0.000 0.291 299 T C -0.358 174.344 174.700 0.002 0.000 0.990 299 T CA -0.312 61.792 62.100 0.006 0.000 0.976 299 T CB 1.701 70.573 68.868 0.007 0.000 0.970 299 T HN 0.370 nan 8.240 nan 0.000 0.438 300 V N 4.715 124.626 119.914 -0.005 0.000 2.446 300 V HA 0.200 4.320 4.120 -0.000 0.000 0.276 300 V C 0.430 176.520 176.094 -0.007 0.000 1.030 300 V CA -0.198 62.097 62.300 -0.009 0.000 1.033 300 V CB -0.255 31.558 31.823 -0.017 0.000 0.993 300 V HN 0.782 nan 8.190 nan 0.000 0.477 301 I N 5.581 126.148 120.570 -0.005 0.000 2.224 301 I HA 0.193 4.363 4.170 -0.000 0.000 0.293 301 I C 0.854 176.969 176.117 -0.004 0.000 1.155 301 I CA 0.207 61.505 61.300 -0.004 0.000 1.297 301 I CB 0.115 38.113 38.000 -0.002 0.000 1.487 301 I HN 0.701 nan 8.210 nan 0.000 0.564 302 S N 2.742 118.439 115.700 -0.005 0.000 2.646 302 S HA 0.342 4.812 4.470 -0.000 0.000 0.276 302 S C 0.715 175.314 174.600 -0.002 0.000 1.222 302 S CA -0.778 57.419 58.200 -0.004 0.000 1.014 302 S CB 1.658 64.854 63.200 -0.006 0.000 0.991 302 S HN 0.560 nan 8.310 nan 0.000 0.533 303 E N 0.460 120.660 120.200 -0.000 0.000 2.435 303 E HA -0.044 4.306 4.350 -0.000 0.000 0.195 303 E C 1.382 177.983 176.600 0.000 0.000 1.029 303 E CA 0.410 56.810 56.400 0.001 0.000 0.865 303 E CB -0.001 29.701 29.700 0.003 0.000 0.833 303 E HN 0.753 nan 8.360 nan 0.000 0.510 304 E N 0.850 121.050 120.200 -0.001 0.000 2.072 304 E HA -0.098 4.252 4.350 -0.000 0.000 0.190 304 E C 1.856 178.454 176.600 -0.002 0.000 0.982 304 E CA 0.771 57.170 56.400 -0.002 0.000 0.803 304 E CB 0.053 29.751 29.700 -0.003 0.000 0.755 304 E HN 0.266 nan 8.360 nan 0.000 0.453 305 I N -0.403 120.165 120.570 -0.003 0.000 3.111 305 I HA 0.018 4.188 4.170 -0.000 0.000 0.272 305 I C 1.523 177.638 176.117 -0.003 0.000 1.268 305 I CA 0.667 61.965 61.300 -0.004 0.000 1.467 305 I CB 0.084 38.081 38.000 -0.005 0.000 1.087 305 I HN 0.288 nan 8.210 nan 0.000 0.467 306 G N 0.711 109.510 108.800 -0.002 0.000 2.201 306 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.212 306 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.212 306 G C 0.350 175.249 174.900 -0.002 0.000 0.994 306 G CA -0.493 44.606 45.100 -0.002 0.000 0.644 306 G HN 0.194 nan 8.290 nan 0.000 0.508 307 M N 1.249 120.847 119.600 -0.002 0.000 2.228 307 M HA 0.441 4.921 4.480 -0.000 0.000 0.351 307 M C 0.411 176.710 176.300 -0.002 0.000 1.233 307 M CA 0.620 55.919 55.300 -0.003 0.000 1.129 307 M CB 0.642 33.240 32.600 -0.003 0.000 1.604 307 M HN 0.264 nan 8.290 nan 0.000 0.457 308 E N 1.883 122.082 120.200 -0.003 0.000 2.263 308 E HA 0.294 4.644 4.350 -0.000 0.000 0.264 308 E C 0.204 176.801 176.600 -0.004 0.000 0.923 308 E CA -0.614 55.784 56.400 -0.002 0.000 0.802 308 E CB 1.879 31.578 29.700 -0.003 0.000 1.228 308 E HN 0.645 nan 8.360 nan 0.000 0.417 309 L N 1.219 122.440 121.223 -0.003 0.000 2.240 309 L HA -0.111 4.229 4.340 -0.000 0.000 0.211 309 L C 1.633 178.499 176.870 -0.008 0.000 1.106 309 L CA 1.008 55.845 54.840 -0.004 0.000 0.793 309 L CB -0.123 41.936 42.059 -0.000 0.000 0.927 309 L HN 0.540 nan 8.230 nan 0.000 0.446 310 E N 0.074 120.270 120.200 -0.007 0.000 2.107 310 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 310 E C 1.498 178.091 176.600 -0.012 0.000 0.982 310 E CA 0.744 57.138 56.400 -0.009 0.000 0.809 310 E CB 0.071 29.768 29.700 -0.006 0.000 0.756 310 E HN 0.139 nan 8.360 nan 0.000 0.459 311 K N 0.538 120.932 120.400 -0.010 0.000 2.546 311 K HA 0.233 4.553 4.320 -0.000 0.000 0.198 311 K C -0.183 176.409 176.600 -0.013 0.000 1.028 311 K CA 0.044 56.325 56.287 -0.011 0.000 1.150 311 K CB 0.388 32.884 32.500 -0.007 0.000 0.876 311 K HN 0.019 nan 8.250 nan 0.000 0.508 312 A N 1.636 124.446 122.820 -0.017 0.000 2.289 312 A HA 0.347 4.667 4.320 -0.000 0.000 0.298 312 A C 0.662 178.225 177.584 -0.035 0.000 1.208 312 A CA -0.428 51.596 52.037 -0.022 0.000 0.845 312 A CB 0.375 19.362 19.000 -0.022 0.000 1.125 312 A HN 0.264 nan 8.150 nan 0.000 0.517 313 T N -0.051 114.481 114.554 -0.036 0.000 2.864 313 T HA 0.514 4.864 4.350 -0.000 0.000 0.276 313 T C 0.915 175.570 174.700 -0.075 0.000 1.006 313 T CA -0.533 61.536 62.100 -0.052 0.000 0.970 313 T CB 0.255 69.101 68.868 -0.036 0.000 1.420 313 T HN 0.271 nan 8.240 nan 0.000 0.601 314 L N 0.001 121.168 121.223 -0.093 0.000 2.492 314 L HA 0.256 4.596 4.340 -0.000 0.000 0.223 314 L C 2.673 179.530 176.870 -0.021 0.000 1.132 314 L CA 0.770 55.523 54.840 -0.145 0.000 0.850 314 L CB -0.226 41.709 42.059 -0.208 0.000 0.966 314 L HN 0.797 nan 8.230 nan 0.000 0.454 315 E N -0.198 120.006 120.200 0.005 0.000 2.400 315 E HA -0.130 4.220 4.350 -0.000 0.000 0.195 315 E C 0.993 177.617 176.600 0.040 0.000 1.012 315 E CA 0.314 56.738 56.400 0.040 0.000 0.875 315 E CB 0.398 30.113 29.700 0.024 0.000 0.859 315 E HN 0.399 nan 8.360 nan 0.000 0.498 316 D N 0.225 120.639 120.400 0.022 0.000 2.317 316 D HA -0.032 4.608 4.640 -0.000 0.000 0.211 316 D C 0.034 176.359 176.300 0.040 0.000 0.966 316 D CA 0.377 54.390 54.000 0.021 0.000 0.876 316 D CB 0.216 41.019 40.800 0.005 0.000 0.927 316 D HN 0.124 nan 8.370 nan 0.000 0.519 317 L N 0.835 122.099 121.223 0.067 0.000 2.349 317 L HA 0.356 4.696 4.340 -0.000 0.000 0.275 317 L C 1.371 178.333 176.870 0.153 0.000 1.115 317 L CA -0.228 54.683 54.840 0.120 0.000 0.820 317 L CB 1.219 43.380 42.059 0.171 0.000 1.135 317 L HN -0.142 nan 8.230 nan 0.000 0.445 318 G N 1.976 110.840 108.800 0.108 0.000 2.653 318 G HA2 0.411 4.371 3.960 -0.000 0.000 0.265 318 G HA3 0.411 4.371 3.960 -0.000 0.000 0.265 318 G C -0.852 174.084 174.900 0.060 0.000 1.237 318 G CA -0.198 44.946 45.100 0.072 0.000 0.946 318 G HN 0.581 nan 8.290 nan 0.000 0.522 319 Q N -1.670 118.125 119.800 -0.007 0.000 2.386 319 Q HA 0.559 4.899 4.340 -0.000 0.000 0.274 319 Q C -0.963 174.991 176.000 -0.077 0.000 1.011 319 Q CA -0.725 55.020 55.803 -0.097 0.000 0.867 319 Q CB 2.067 30.682 28.738 -0.205 0.000 1.409 319 Q HN 0.939 nan 8.270 nan 0.000 0.395 320 A N 2.017 124.781 122.820 -0.093 0.000 2.524 320 A HA 0.539 4.859 4.320 -0.000 0.000 0.286 320 A C -0.381 177.156 177.584 -0.079 0.000 1.203 320 A CA -0.523 51.477 52.037 -0.062 0.000 0.736 320 A CB 1.446 20.429 19.000 -0.030 0.000 1.322 320 A HN 0.792 nan 8.150 nan 0.000 0.424 321 K N -0.689 119.679 120.400 -0.054 0.000 2.044 321 K HA 0.075 4.395 4.320 -0.000 0.000 0.204 321 K C 0.704 177.279 176.600 -0.042 0.000 1.049 321 K CA 1.082 57.339 56.287 -0.051 0.000 0.945 321 K CB 0.171 32.649 32.500 -0.036 0.000 0.724 321 K HN 0.542 nan 8.250 nan 0.000 0.440 322 R N 0.080 120.561 120.500 -0.031 0.000 2.643 322 R HA 0.240 4.580 4.340 -0.000 0.000 0.269 322 R C -1.979 174.312 176.300 -0.016 0.000 1.037 322 R CA -0.562 55.524 56.100 -0.022 0.000 0.894 322 R CB 2.084 32.374 30.300 -0.017 0.000 1.238 322 R HN -0.050 nan 8.270 nan 0.000 0.459 323 V N 0.325 120.232 119.914 -0.012 0.000 2.686 323 V HA 0.690 4.810 4.120 -0.000 0.000 0.306 323 V C -1.020 175.067 176.094 -0.012 0.000 1.065 323 V CA -0.804 61.489 62.300 -0.012 0.000 0.894 323 V CB 1.864 33.686 31.823 -0.002 0.000 1.004 323 V HN 0.407 nan 8.190 nan 0.000 0.424 324 V N 5.710 125.609 119.914 -0.025 0.000 2.417 324 V HA 0.582 4.702 4.120 -0.000 0.000 0.291 324 V C -0.184 175.891 176.094 -0.032 0.000 1.024 324 V CA -0.357 61.934 62.300 -0.015 0.000 0.861 324 V CB 1.586 33.402 31.823 -0.013 0.000 0.985 324 V HN 0.841 nan 8.190 nan 0.000 0.436 325 I N 4.772 125.352 120.570 0.017 0.000 2.420 325 I HA 0.396 4.566 4.170 -0.000 0.000 0.282 325 I C 0.086 176.268 176.117 0.108 0.000 1.019 325 I CA -0.392 60.926 61.300 0.029 0.000 1.130 325 I CB 1.289 39.346 38.000 0.095 0.000 1.262 325 I HN 0.562 nan 8.210 nan 0.000 0.454 326 N N 4.600 123.292 118.700 -0.014 0.000 2.322 326 N HA 0.136 4.876 4.740 -0.000 0.000 0.270 326 N C 1.170 176.481 175.510 -0.332 0.000 1.286 326 N CA -0.251 52.784 53.050 -0.025 0.000 0.948 326 N CB 0.755 39.213 38.487 -0.049 0.000 1.164 326 N HN 0.482 nan 8.380 nan 0.000 0.551 327 K N 0.015 120.230 120.400 -0.308 0.000 2.063 327 K HA -0.185 4.135 4.320 -0.000 0.000 0.208 327 K C -0.218 176.075 176.600 -0.512 0.000 1.048 327 K CA 2.064 57.997 56.287 -0.589 0.000 0.928 327 K CB 0.030 32.431 32.500 -0.166 0.000 0.713 327 K HN 0.610 nan 8.250 nan 0.000 0.442 328 D N -2.018 118.216 120.400 -0.276 0.000 2.556 328 D HA 0.088 4.728 4.640 -0.000 0.000 0.237 328 D C -0.768 175.445 176.300 -0.144 0.000 1.296 328 D CA -0.356 53.537 54.000 -0.179 0.000 0.807 328 D CB 1.071 41.811 40.800 -0.099 0.000 1.084 328 D HN -0.165 nan 8.370 nan 0.000 0.510 329 T N 0.029 114.476 114.554 -0.177 0.000 2.991 329 T HA 0.534 4.884 4.350 -0.000 0.000 0.303 329 T C -0.959 173.577 174.700 -0.273 0.000 1.015 329 T CA -0.460 61.522 62.100 -0.197 0.000 1.007 329 T CB 2.051 70.844 68.868 -0.124 0.000 1.034 329 T HN -0.149 nan 8.240 nan 0.000 0.446 330 T N 2.436 116.687 114.554 -0.505 0.000 2.797 330 T HA 0.618 4.968 4.350 -0.000 0.000 0.279 330 T C -0.211 174.142 174.700 -0.578 0.000 0.991 330 T CA -0.499 61.269 62.100 -0.553 0.000 0.979 330 T CB 1.554 70.029 68.868 -0.654 0.000 0.943 330 T HN 0.573 nan 8.240 nan 0.000 0.444 331 T N 3.715 118.101 114.554 -0.279 0.000 2.809 331 T HA 0.646 4.996 4.350 -0.000 0.000 0.284 331 T C -0.525 174.129 174.700 -0.077 0.000 0.992 331 T CA -0.698 61.303 62.100 -0.164 0.000 0.957 331 T CB 0.041 68.847 68.868 -0.103 0.000 0.942 331 T HN 0.451 nan 8.240 nan 0.000 0.439 332 I N 6.106 126.666 120.570 -0.016 0.000 2.331 332 I HA 0.463 4.633 4.170 -0.000 0.000 0.292 332 I C -0.253 175.870 176.117 0.011 0.000 0.998 332 I CA -0.744 60.570 61.300 0.024 0.000 1.267 332 I CB 1.416 39.467 38.000 0.085 0.000 1.386 332 I HN 0.543 nan 8.210 nan 0.000 0.476 333 I N 5.476 126.046 120.570 -0.001 0.000 2.382 333 I HA 0.262 4.432 4.170 -0.000 0.000 0.286 333 I C -0.682 175.429 176.117 -0.010 0.000 1.002 333 I CA -0.497 60.799 61.300 -0.007 0.000 1.135 333 I CB 1.377 39.370 38.000 -0.013 0.000 1.288 333 I HN 0.586 nan 8.210 nan 0.000 0.448 334 D N 4.952 125.348 120.400 -0.008 0.000 3.908 334 D HA -0.117 4.523 4.640 -0.000 0.000 0.237 334 D C 0.121 176.413 176.300 -0.014 0.000 1.091 334 D CA 0.974 54.968 54.000 -0.011 0.000 1.147 334 D CB -0.054 40.736 40.800 -0.016 0.000 0.857 334 D HN 0.812 nan 8.370 nan 0.000 0.410 335 G N 1.154 109.949 108.800 -0.007 0.000 2.444 335 G HA2 0.418 4.378 3.960 -0.000 0.000 0.268 335 G HA3 0.418 4.378 3.960 -0.000 0.000 0.268 335 G C 1.362 176.254 174.900 -0.013 0.000 1.203 335 G CA -0.389 44.706 45.100 -0.008 0.000 0.835 335 G HN 0.382 nan 8.290 nan 0.000 0.543 336 V N 2.128 122.030 119.914 -0.019 0.000 2.970 336 V HA 0.043 4.163 4.120 -0.000 0.000 0.260 336 V C 2.096 178.184 176.094 -0.009 0.000 1.100 336 V CA 0.973 63.261 62.300 -0.020 0.000 1.122 336 V CB -1.073 30.731 31.823 -0.031 0.000 0.721 336 V HN 0.782 nan 8.190 nan 0.000 0.483 337 G N 0.823 109.621 108.800 -0.004 0.000 2.414 337 G HA2 0.150 4.110 3.960 -0.000 0.000 0.236 337 G HA3 0.150 4.110 3.960 -0.000 0.000 0.236 337 G C 0.024 174.923 174.900 -0.001 0.000 1.293 337 G CA -0.296 44.804 45.100 -0.000 0.000 0.869 337 G HN 0.294 nan 8.290 nan 0.000 0.556 338 E N 1.159 121.359 120.200 -0.001 0.000 2.404 338 E HA 0.006 4.356 4.350 -0.000 0.000 0.261 338 E C 1.151 177.749 176.600 -0.002 0.000 1.074 338 E CA 0.028 56.427 56.400 -0.001 0.000 0.917 338 E CB 1.134 30.834 29.700 -0.001 0.000 0.965 338 E HN 0.689 nan 8.360 nan 0.000 0.433 339 E N 0.878 121.076 120.200 -0.003 0.000 2.216 339 E HA -0.106 4.244 4.350 -0.000 0.000 0.192 339 E C 1.700 178.298 176.600 -0.003 0.000 0.988 339 E CA 0.811 57.210 56.400 -0.003 0.000 0.834 339 E CB 0.067 29.765 29.700 -0.003 0.000 0.772 339 E HN 0.540 nan 8.360 nan 0.000 0.479 340 A N 1.439 124.258 122.820 -0.003 0.000 1.930 340 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 340 A C 2.321 179.903 177.584 -0.003 0.000 1.175 340 A CA 1.570 53.605 52.037 -0.003 0.000 0.627 340 A CB -0.345 18.654 19.000 -0.002 0.000 0.815 340 A HN 0.275 nan 8.150 nan 0.000 0.443 341 A N -0.531 122.288 122.820 -0.003 0.000 2.021 341 A HA 0.196 4.516 4.320 -0.000 0.000 0.216 341 A C 2.023 179.604 177.584 -0.004 0.000 1.163 341 A CA 0.959 52.994 52.037 -0.003 0.000 0.676 341 A CB -0.372 18.627 19.000 -0.002 0.000 0.818 341 A HN 0.464 nan 8.150 nan 0.000 0.453 342 I N -1.132 119.436 120.570 -0.004 0.000 2.235 342 I HA -0.173 3.997 4.170 -0.000 0.000 0.241 342 I C 2.579 178.693 176.117 -0.005 0.000 1.085 342 I CA 1.440 62.737 61.300 -0.004 0.000 1.378 342 I CB -0.255 37.743 38.000 -0.002 0.000 1.076 342 I HN 0.289 nan 8.210 nan 0.000 0.415 343 Q N 1.288 121.085 119.800 -0.005 0.000 2.369 343 Q HA -0.033 4.307 4.340 -0.000 0.000 0.206 343 Q C 1.892 177.888 176.000 -0.007 0.000 0.963 343 Q CA 1.344 57.144 55.803 -0.006 0.000 0.894 343 Q CB -0.271 28.464 28.738 -0.005 0.000 0.965 343 Q HN 0.473 nan 8.270 nan 0.000 0.475 344 G N -0.374 108.422 108.800 -0.007 0.000 2.408 344 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.215 344 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.215 344 G C 1.524 176.419 174.900 -0.009 0.000 1.156 344 G CA 0.468 45.564 45.100 -0.007 0.000 0.793 344 G HN 0.294 nan 8.290 nan 0.000 0.535 345 R N 0.141 120.635 120.500 -0.010 0.000 2.235 345 R HA 0.114 4.454 4.340 -0.000 0.000 0.213 345 R C 2.225 178.517 176.300 -0.014 0.000 1.059 345 R CA 0.853 56.946 56.100 -0.013 0.000 0.997 345 R CB -0.380 29.912 30.300 -0.013 0.000 0.884 345 R HN 0.228 nan 8.270 nan 0.000 0.462 346 V N 0.074 119.980 119.914 -0.012 0.000 2.379 346 V HA -0.024 4.096 4.120 -0.000 0.000 0.243 346 V C 2.239 178.326 176.094 -0.013 0.000 1.035 346 V CA 1.627 63.920 62.300 -0.013 0.000 1.035 346 V CB -0.605 31.212 31.823 -0.010 0.000 0.673 346 V HN 0.480 nan 8.190 nan 0.000 0.457 347 A N -0.782 122.031 122.820 -0.011 0.000 1.940 347 A HA -0.303 4.017 4.320 -0.000 0.000 0.219 347 A C 2.156 179.733 177.584 -0.012 0.000 1.176 347 A CA 2.014 54.045 52.037 -0.011 0.000 0.631 347 A CB -0.526 18.469 19.000 -0.009 0.000 0.814 347 A HN 0.617 nan 8.150 nan 0.000 0.446 348 Q N -0.800 118.993 119.800 -0.013 0.000 2.135 348 Q HA -0.131 4.209 4.340 -0.000 0.000 0.204 348 Q C 1.841 177.830 176.000 -0.018 0.000 0.981 348 Q CA 1.707 57.501 55.803 -0.015 0.000 0.856 348 Q CB -0.254 28.475 28.738 -0.015 0.000 0.902 348 Q HN 0.800 nan 8.270 nan 0.000 0.425 349 I N -0.850 119.708 120.570 -0.020 0.000 3.228 349 I HA -0.079 4.091 4.170 -0.000 0.000 0.279 349 I C 2.307 178.411 176.117 -0.023 0.000 1.221 349 I CA 0.213 61.498 61.300 -0.025 0.000 1.458 349 I CB -0.042 37.941 38.000 -0.028 0.000 1.105 349 I HN 0.038 nan 8.210 nan 0.000 0.445 350 R N 1.087 121.576 120.500 -0.019 0.000 2.073 350 R HA -0.161 4.179 4.340 -0.000 0.000 0.229 350 R C 2.360 178.650 176.300 -0.015 0.000 1.120 350 R CA 1.319 57.409 56.100 -0.016 0.000 0.967 350 R CB -0.086 30.206 30.300 -0.013 0.000 0.862 350 R HN 0.327 nan 8.270 nan 0.000 0.436 351 Q N 0.119 119.911 119.800 -0.014 0.000 2.167 351 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 351 Q C 1.668 177.659 176.000 -0.014 0.000 0.970 351 Q CA 1.314 57.109 55.803 -0.013 0.000 0.855 351 Q CB 0.195 28.926 28.738 -0.011 0.000 0.911 351 Q HN 0.470 nan 8.270 nan 0.000 0.438 352 Q N -0.095 119.694 119.800 -0.018 0.000 2.436 352 Q HA -0.060 4.280 4.340 -0.000 0.000 0.209 352 Q C 1.806 177.793 176.000 -0.022 0.000 0.965 352 Q CA 0.550 56.341 55.803 -0.020 0.000 0.910 352 Q CB 0.144 28.867 28.738 -0.025 0.000 0.980 352 Q HN 0.479 nan 8.270 nan 0.000 0.491 353 I N 0.760 121.318 120.570 -0.021 0.000 2.439 353 I HA -0.215 3.955 4.170 -0.000 0.000 0.251 353 I C 1.793 177.902 176.117 -0.015 0.000 1.139 353 I CA 0.778 62.065 61.300 -0.021 0.000 1.438 353 I CB -0.049 37.938 38.000 -0.021 0.000 1.085 353 I HN 0.111 nan 8.210 nan 0.000 0.427 354 E N 0.937 121.130 120.200 -0.012 0.000 2.274 354 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 354 E C 1.579 178.175 176.600 -0.007 0.000 0.996 354 E CA 0.864 57.259 56.400 -0.008 0.000 0.840 354 E CB -0.242 29.453 29.700 -0.008 0.000 0.772 354 E HN 0.598 nan 8.360 nan 0.000 0.491 355 E N 0.781 120.976 120.200 -0.009 0.000 2.442 355 E HA 0.156 4.506 4.350 -0.000 0.000 0.195 355 E C 0.317 176.913 176.600 -0.006 0.000 1.030 355 E CA -0.006 56.390 56.400 -0.007 0.000 0.869 355 E CB 0.359 30.053 29.700 -0.009 0.000 0.857 355 E HN 0.065 nan 8.360 nan 0.000 0.505 356 A N 1.610 124.425 122.820 -0.008 0.000 2.484 356 A HA 0.058 4.378 4.320 -0.000 0.000 0.268 356 A C 1.231 178.817 177.584 0.003 0.000 1.114 356 A CA 0.037 52.070 52.037 -0.005 0.000 0.780 356 A CB -0.108 18.885 19.000 -0.012 0.000 1.061 356 A HN 0.212 nan 8.150 nan 0.000 0.505 357 T N -0.081 114.478 114.554 0.008 0.000 3.100 357 T HA 0.231 4.581 4.350 -0.000 0.000 0.253 357 T C 0.761 175.474 174.700 0.022 0.000 1.118 357 T CA 0.660 62.768 62.100 0.013 0.000 1.058 357 T CB -0.066 68.809 68.868 0.011 0.000 0.953 357 T HN 0.548 nan 8.240 nan 0.000 0.515 358 S N -0.366 115.353 115.700 0.031 0.000 2.599 358 S HA 0.404 4.874 4.470 -0.000 0.000 0.294 358 S C 0.038 174.671 174.600 0.054 0.000 1.094 358 S CA -0.704 57.527 58.200 0.053 0.000 0.931 358 S CB 1.647 64.899 63.200 0.087 0.000 1.093 358 S HN 0.081 nan 8.310 nan 0.000 0.488 359 D N 1.041 121.484 120.400 0.071 0.000 2.162 359 D HA -0.029 4.611 4.640 -0.000 0.000 0.203 359 D C 1.279 177.633 176.300 0.090 0.000 0.967 359 D CA 1.078 55.117 54.000 0.064 0.000 0.840 359 D CB -0.170 40.667 40.800 0.061 0.000 0.972 359 D HN 0.658 nan 8.370 nan 0.000 0.482 360 Y N 2.247 122.548 120.300 0.000 0.000 2.109 360 Y HA -0.195 4.355 4.550 -0.000 0.000 0.285 360 Y C 1.548 177.445 175.900 -0.005 0.000 1.131 360 Y CA 1.819 59.919 58.100 0.001 0.000 1.121 360 Y CB -0.328 38.134 38.460 0.003 0.000 0.987 360 Y HN -0.188 nan 8.280 nan 0.000 0.495 361 D N -0.232 120.163 120.400 -0.009 0.000 2.158 361 D HA -0.189 4.451 4.640 -0.000 0.000 0.197 361 D C 2.230 178.452 176.300 -0.130 0.000 0.995 361 D CA 1.567 55.500 54.000 -0.111 0.000 0.846 361 D CB -0.260 40.544 40.800 0.007 0.000 0.941 361 D HN 0.298 nan 8.370 nan 0.000 0.456 362 R N 0.376 120.833 120.500 -0.072 0.000 2.066 362 R HA -0.100 4.240 4.340 -0.000 0.000 0.232 362 R C 1.997 178.246 176.300 -0.086 0.000 1.131 362 R CA 1.236 57.301 56.100 -0.060 0.000 0.955 362 R CB 0.035 30.320 30.300 -0.025 0.000 0.851 362 R HN 0.232 nan 8.270 nan 0.000 0.432 363 E N -0.037 120.100 120.200 -0.104 0.000 2.077 363 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 363 E C 1.929 178.439 176.600 -0.151 0.000 0.989 363 E CA 0.979 57.316 56.400 -0.106 0.000 0.800 363 E CB 0.131 29.781 29.700 -0.083 0.000 0.746 363 E HN 0.096 nan 8.360 nan 0.000 0.452 364 K N 0.590 120.832 120.400 -0.264 0.000 2.097 364 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 364 K C 2.156 178.668 176.600 -0.147 0.000 1.049 364 K CA 0.853 56.991 56.287 -0.249 0.000 0.933 364 K CB -0.298 31.967 32.500 -0.392 0.000 0.717 364 K HN 0.212 nan 8.250 nan 0.000 0.442 365 L N 0.626 121.772 121.223 -0.128 0.000 2.109 365 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 365 L C 2.395 179.229 176.870 -0.060 0.000 1.086 365 L CA 1.122 55.912 54.840 -0.083 0.000 0.760 365 L CB -0.336 41.680 42.059 -0.070 0.000 0.910 365 L HN 0.171 nan 8.230 nan 0.000 0.437 366 Q N -0.303 119.462 119.800 -0.058 0.000 2.297 366 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 366 Q C 1.998 177.978 176.000 -0.034 0.000 0.962 366 Q CA 0.917 56.696 55.803 -0.039 0.000 0.879 366 Q CB 0.091 28.809 28.738 -0.034 0.000 0.947 366 Q HN 0.500 nan 8.270 nan 0.000 0.462 367 E N 0.308 120.482 120.200 -0.043 0.000 2.072 367 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 367 E C 1.988 178.576 176.600 -0.021 0.000 0.985 367 E CA 0.649 57.031 56.400 -0.030 0.000 0.801 367 E CB 0.092 29.768 29.700 -0.039 0.000 0.750 367 E HN 0.265 nan 8.360 nan 0.000 0.452 368 R N 0.519 121.000 120.500 -0.031 0.000 2.070 368 R HA -0.137 4.203 4.340 -0.000 0.000 0.232 368 R C 2.745 179.035 176.300 -0.016 0.000 1.138 368 R CA 1.754 57.840 56.100 -0.025 0.000 0.936 368 R CB -0.931 29.346 30.300 -0.037 0.000 0.839 368 R HN 0.194 nan 8.270 nan 0.000 0.429 369 V N -0.700 119.202 119.914 -0.021 0.000 2.324 369 V HA -0.211 3.909 4.120 -0.000 0.000 0.250 369 V C 2.442 178.531 176.094 -0.009 0.000 1.060 369 V CA 1.912 64.203 62.300 -0.015 0.000 1.042 369 V CB -1.317 30.496 31.823 -0.017 0.000 0.650 369 V HN 0.313 nan 8.190 nan 0.000 0.450 370 A N 0.674 123.489 122.820 -0.009 0.000 1.948 370 A HA -0.243 4.077 4.320 -0.000 0.000 0.220 370 A C 2.341 179.925 177.584 0.000 0.000 1.177 370 A CA 2.467 54.500 52.037 -0.005 0.000 0.636 370 A CB -0.590 18.406 19.000 -0.006 0.000 0.815 370 A HN 0.677 nan 8.150 nan 0.000 0.449 371 K N -1.106 119.297 120.400 0.005 0.000 2.031 371 K HA -0.017 4.303 4.320 -0.000 0.000 0.205 371 K C 1.857 178.466 176.600 0.014 0.000 1.049 371 K CA 1.211 57.508 56.287 0.017 0.000 0.939 371 K CB -0.350 32.169 32.500 0.032 0.000 0.717 371 K HN 0.310 nan 8.250 nan 0.000 0.438 372 L N 0.890 122.118 121.223 0.008 0.000 1.988 372 L HA -0.140 4.200 4.340 -0.000 0.000 0.207 372 L C 2.402 179.274 176.870 0.003 0.000 1.071 372 L CA 1.914 56.758 54.840 0.006 0.000 0.744 372 L CB -0.766 41.293 42.059 -0.000 0.000 0.893 372 L HN 0.157 nan 8.230 nan 0.000 0.433 373 A N -0.856 121.963 122.820 -0.001 0.000 2.014 373 A HA 0.031 4.351 4.320 -0.000 0.000 0.218 373 A C 2.353 179.936 177.584 -0.002 0.000 1.163 373 A CA 1.190 53.225 52.037 -0.003 0.000 0.652 373 A CB -1.218 17.779 19.000 -0.005 0.000 0.808 373 A HN 0.442 nan 8.150 nan 0.000 0.449 374 G N -0.490 108.309 108.800 -0.002 0.000 2.422 374 G HA2 0.286 4.246 3.960 -0.000 0.000 0.218 374 G HA3 0.286 4.246 3.960 -0.000 0.000 0.218 374 G C 1.256 176.155 174.900 -0.002 0.000 1.146 374 G CA 0.817 45.916 45.100 -0.002 0.000 0.769 374 G HN 1.614 nan 8.290 nan 0.000 0.547 375 G N -1.589 107.212 108.800 0.001 0.000 2.692 375 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.248 375 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.248 375 G C -0.481 174.418 174.900 -0.001 0.000 1.340 375 G CA -0.090 45.011 45.100 0.001 0.000 0.896 375 G HN 1.035 nan 8.290 nan 0.000 0.570 376 V N 0.607 120.519 119.914 -0.004 0.000 2.531 376 V HA 0.714 4.834 4.120 -0.000 0.000 0.301 376 V C 0.805 176.893 176.094 -0.010 0.000 1.034 376 V CA 0.007 62.303 62.300 -0.008 0.000 0.865 376 V CB 1.326 33.144 31.823 -0.008 0.000 0.995 376 V HN 1.935 nan 8.190 nan 0.000 0.424 377 A N 4.744 127.556 122.820 -0.013 0.000 2.327 377 A HA 0.780 5.100 4.320 -0.000 0.000 0.283 377 A C -0.576 176.999 177.584 -0.014 0.000 1.127 377 A CA -0.338 51.691 52.037 -0.013 0.000 0.810 377 A CB 0.926 19.917 19.000 -0.014 0.000 1.066 377 A HN 0.748 nan 8.150 nan 0.000 0.492 378 V N 4.004 123.912 119.914 -0.011 0.000 2.443 378 V HA 0.311 4.431 4.120 -0.000 0.000 0.293 378 V C -0.376 175.712 176.094 -0.009 0.000 1.021 378 V CA -0.137 62.157 62.300 -0.011 0.000 0.848 378 V CB 1.307 33.124 31.823 -0.010 0.000 0.998 378 V HN 0.734 nan 8.190 nan 0.000 0.424 379 I N 4.818 125.384 120.570 -0.008 0.000 2.304 379 I HA 0.400 4.570 4.170 -0.000 0.000 0.291 379 I C 0.179 176.293 176.117 -0.005 0.000 1.018 379 I CA -0.400 60.896 61.300 -0.006 0.000 1.260 379 I CB 1.046 39.042 38.000 -0.006 0.000 1.390 379 I HN 0.479 nan 8.210 nan 0.000 0.475 380 K N 5.972 126.369 120.400 -0.005 0.000 2.281 380 K HA 0.427 4.747 4.320 -0.000 0.000 0.272 380 K C -0.859 175.739 176.600 -0.003 0.000 1.048 380 K CA -0.590 55.694 56.287 -0.004 0.000 0.898 380 K CB 1.902 34.399 32.500 -0.005 0.000 1.128 380 K HN 0.336 nan 8.250 nan 0.000 0.460 381 V N 2.809 122.722 119.914 -0.002 0.000 2.389 381 V HA 0.212 4.332 4.120 -0.000 0.000 0.264 381 V C 0.680 176.772 176.094 -0.002 0.000 1.049 381 V CA -0.560 61.739 62.300 -0.002 0.000 0.932 381 V CB 0.986 32.809 31.823 -0.000 0.000 1.011 381 V HN 0.867 nan 8.190 nan 0.000 0.475 382 G N 3.153 111.952 108.800 -0.002 0.000 2.335 382 G HA2 0.582 4.542 3.960 -0.000 0.000 0.314 382 G HA3 0.582 4.542 3.960 -0.000 0.000 0.314 382 G C 0.324 175.223 174.900 -0.002 0.000 1.129 382 G CA 0.293 45.392 45.100 -0.002 0.000 0.912 382 G HN 0.957 nan 8.290 nan 0.000 0.443 383 A N 1.698 124.517 122.820 -0.002 0.000 2.530 383 A HA 0.815 5.135 4.320 -0.000 0.000 0.214 383 A C 1.002 178.584 177.584 -0.002 0.000 1.352 383 A CA 1.138 53.173 52.037 -0.002 0.000 1.035 383 A CB -0.233 18.766 19.000 -0.002 0.000 1.296 383 A HN 2.699 nan 8.150 nan 0.000 0.563 384 A N -0.442 122.377 122.820 -0.002 0.000 2.435 384 A HA 0.463 4.783 4.320 -0.000 0.000 0.686 384 A C 0.925 178.508 177.584 -0.002 0.000 0.138 384 A CA 0.633 52.669 52.037 -0.002 0.000 0.024 384 A CB -2.541 16.458 19.000 -0.002 0.000 3.974 384 A HN 2.982 nan 8.150 nan 0.000 0.548 385 T N -0.452 114.100 114.554 -0.002 0.000 0.541 385 T HA -0.194 4.156 4.350 -0.000 0.000 0.774 385 T C 0.625 175.324 174.700 -0.002 0.000 0.992 385 T CA 2.160 64.259 62.100 -0.002 0.000 4.077 385 T CB -0.456 68.411 68.868 -0.002 0.000 2.303 385 T HN 2.156 nan 8.240 nan 0.000 0.398 386 E N 1.064 121.263 120.200 -0.003 0.000 2.150 386 E HA -0.068 4.282 4.350 -0.000 0.000 0.193 386 E C 2.162 178.760 176.600 -0.002 0.000 0.985 386 E CA 1.423 57.822 56.400 -0.003 0.000 0.814 386 E CB -0.116 29.582 29.700 -0.003 0.000 0.752 386 E HN 0.640 nan 8.360 nan 0.000 0.466 387 V N 1.462 121.375 119.914 -0.002 0.000 2.261 387 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 387 V C 2.045 178.138 176.094 -0.002 0.000 1.047 387 V CA 2.268 64.567 62.300 -0.002 0.000 1.015 387 V CB -0.577 31.244 31.823 -0.002 0.000 0.642 387 V HN 0.294 nan 8.190 nan 0.000 0.446 388 E N -0.550 119.649 120.200 -0.002 0.000 2.150 388 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 388 E C 2.157 178.756 176.600 -0.002 0.000 0.985 388 E CA 1.082 57.481 56.400 -0.002 0.000 0.814 388 E CB -0.195 29.504 29.700 -0.002 0.000 0.752 388 E HN 0.456 nan 8.360 nan 0.000 0.466 389 M N 1.184 120.783 119.600 -0.002 0.000 2.066 389 M HA -0.171 4.309 4.480 -0.000 0.000 0.259 389 M C 1.865 178.164 176.300 -0.001 0.000 1.074 389 M CA 1.587 56.886 55.300 -0.001 0.000 1.114 389 M CB -0.158 32.441 32.600 -0.002 0.000 1.306 389 M HN -0.118 nan 8.290 nan 0.000 0.411 390 K N 0.267 120.666 120.400 -0.001 0.000 2.063 390 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 390 K C 1.919 178.519 176.600 0.000 0.000 1.048 390 K CA 1.153 57.440 56.287 -0.000 0.000 0.928 390 K CB -0.728 31.771 32.500 -0.001 0.000 0.713 390 K HN 0.461 nan 8.250 nan 0.000 0.442 391 E N 1.499 121.698 120.200 -0.001 0.000 2.058 391 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 391 E C 1.963 178.563 176.600 0.000 0.000 0.997 391 E CA 1.426 57.826 56.400 -0.001 0.000 0.801 391 E CB 0.043 29.742 29.700 -0.001 0.000 0.746 391 E HN 0.197 nan 8.360 nan 0.000 0.450 392 K N 0.654 121.054 120.400 0.000 0.000 2.148 392 K HA -0.152 4.168 4.320 -0.000 0.000 0.204 392 K C 2.310 178.911 176.600 0.002 0.000 1.050 392 K CA 1.278 57.565 56.287 0.001 0.000 0.942 392 K CB -0.035 32.465 32.500 -0.000 0.000 0.724 392 K HN -0.054 nan 8.250 nan 0.000 0.446 393 K N 0.257 120.658 120.400 0.003 0.000 2.025 393 K HA -0.118 4.202 4.320 -0.000 0.000 0.207 393 K C 1.973 178.577 176.600 0.008 0.000 1.049 393 K CA 1.194 57.484 56.287 0.005 0.000 0.933 393 K CB -0.186 32.316 32.500 0.004 0.000 0.714 393 K HN 0.150 nan 8.250 nan 0.000 0.438 394 A N 1.901 124.725 122.820 0.006 0.000 1.873 394 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 394 A C 2.153 179.742 177.584 0.010 0.000 1.193 394 A CA 1.787 53.828 52.037 0.007 0.000 0.629 394 A CB -0.649 18.352 19.000 0.002 0.000 0.826 394 A HN 0.375 nan 8.150 nan 0.000 0.447 395 R N -0.747 119.757 120.500 0.007 0.000 2.091 395 R HA -0.116 4.224 4.340 -0.000 0.000 0.238 395 R C 2.050 178.358 176.300 0.013 0.000 1.136 395 R CA 1.590 57.695 56.100 0.008 0.000 0.959 395 R CB -0.649 29.653 30.300 0.004 0.000 0.856 395 R HN 0.459 nan 8.270 nan 0.000 0.437 396 V N 1.151 121.072 119.914 0.013 0.000 2.358 396 V HA -0.208 3.912 4.120 -0.000 0.000 0.246 396 V C 1.986 178.096 176.094 0.027 0.000 1.047 396 V CA 1.749 64.058 62.300 0.015 0.000 1.035 396 V CB -0.495 31.334 31.823 0.009 0.000 0.658 396 V HN 0.343 nan 8.190 nan 0.000 0.452 397 E N 0.084 120.305 120.200 0.034 0.000 2.160 397 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 397 E C 1.891 178.548 176.600 0.095 0.000 0.991 397 E CA 1.475 57.911 56.400 0.060 0.000 0.810 397 E CB -0.131 29.600 29.700 0.051 0.000 0.742 397 E HN 0.646 nan 8.360 nan 0.000 0.466 398 D N 0.254 120.690 120.400 0.061 0.000 2.110 398 D HA -0.042 4.598 4.640 -0.000 0.000 0.202 398 D C 1.987 178.329 176.300 0.070 0.000 0.975 398 D CA 1.108 55.145 54.000 0.061 0.000 0.839 398 D CB -0.309 40.505 40.800 0.024 0.000 0.996 398 D HN 0.106 nan 8.370 nan 0.000 0.464 399 A N 1.156 124.002 122.820 0.043 0.000 1.917 399 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 399 A C 2.210 179.815 177.584 0.035 0.000 1.182 399 A CA 1.239 53.295 52.037 0.032 0.000 0.633 399 A CB -0.812 18.198 19.000 0.018 0.000 0.819 399 A HN 0.222 nan 8.150 nan 0.000 0.448 400 L N -1.199 120.046 121.223 0.036 0.000 1.994 400 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 400 L C 2.445 179.318 176.870 0.004 0.000 1.071 400 L CA 2.409 57.254 54.840 0.009 0.000 0.745 400 L CB -0.748 41.308 42.059 -0.004 0.000 0.892 400 L HN 0.555 nan 8.230 nan 0.000 0.431 401 H N -0.565 118.503 119.070 -0.004 0.000 2.387 401 H HA -0.143 4.413 4.556 -0.000 0.000 0.299 401 H C 1.980 177.307 175.328 -0.000 0.000 1.099 401 H CA 1.632 57.678 56.048 -0.003 0.000 1.315 401 H CB 0.079 29.839 29.762 -0.003 0.000 1.380 401 H HN 0.521 nan 8.280 nan 0.000 0.513 402 A N -0.084 122.813 122.820 0.128 0.000 1.832 402 A HA -0.132 4.188 4.320 -0.000 0.000 0.214 402 A C 2.630 180.238 177.584 0.040 0.000 1.200 402 A CA 2.110 54.193 52.037 0.077 0.000 0.610 402 A CB -1.038 17.993 19.000 0.053 0.000 0.842 402 A HN 0.457 nan 8.150 nan 0.000 0.444 403 T N -0.097 114.470 114.554 0.023 0.000 2.822 403 T HA -0.169 4.181 4.350 -0.000 0.000 0.270 403 T C 2.041 176.739 174.700 -0.003 0.000 1.064 403 T CA 1.277 63.381 62.100 0.007 0.000 1.131 403 T CB -0.302 68.567 68.868 0.001 0.000 0.858 403 T HN 0.258 nan 8.240 nan 0.000 0.483 404 R N 1.445 121.935 120.500 -0.016 0.000 2.112 404 R HA -0.043 4.297 4.340 -0.000 0.000 0.242 404 R C 2.640 178.934 176.300 -0.010 0.000 1.137 404 R CA 1.993 58.070 56.100 -0.039 0.000 0.944 404 R CB -1.161 29.075 30.300 -0.107 0.000 0.857 404 R HN 0.495 nan 8.270 nan 0.000 0.435 405 A N -0.181 122.649 122.820 0.017 0.000 2.067 405 A HA 0.095 4.415 4.320 -0.000 0.000 0.217 405 A C 2.167 179.763 177.584 0.019 0.000 1.156 405 A CA 1.338 53.391 52.037 0.027 0.000 0.683 405 A CB -0.287 18.743 19.000 0.050 0.000 0.808 405 A HN 0.378 nan 8.150 nan 0.000 0.455 406 A N -0.806 122.023 122.820 0.015 0.000 2.067 406 A HA 0.158 4.478 4.320 -0.000 0.000 0.217 406 A C 2.079 179.667 177.584 0.006 0.000 1.156 406 A CA 1.341 53.384 52.037 0.011 0.000 0.683 406 A CB -0.471 18.535 19.000 0.010 0.000 0.808 406 A HN 0.288 nan 8.150 nan 0.000 0.455 407 V N -0.050 119.865 119.914 0.002 0.000 2.488 407 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 407 V C 2.375 178.469 176.094 0.000 0.000 1.046 407 V CA 2.164 64.463 62.300 -0.002 0.000 1.053 407 V CB -0.430 31.387 31.823 -0.008 0.000 0.679 407 V HN 0.642 nan 8.190 nan 0.000 0.458 408 E N -0.382 119.819 120.200 0.002 0.000 2.051 408 E HA -0.120 4.230 4.350 -0.000 0.000 0.189 408 E C 1.656 178.260 176.600 0.006 0.000 0.979 408 E CA 1.195 57.597 56.400 0.004 0.000 0.803 408 E CB 0.059 29.762 29.700 0.006 0.000 0.761 408 E HN 0.616 nan 8.360 nan 0.000 0.451 409 E N -0.519 119.686 120.200 0.008 0.000 2.601 409 E HA 0.206 4.556 4.350 -0.000 0.000 0.219 409 E C 0.382 176.987 176.600 0.008 0.000 0.964 409 E CA 0.138 56.543 56.400 0.008 0.000 1.050 409 E CB 1.600 31.305 29.700 0.009 0.000 1.068 409 E HN 0.235 nan 8.360 nan 0.000 0.496 410 G N 1.335 110.140 108.800 0.008 0.000 2.632 410 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.224 410 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.224 410 G C -0.308 174.598 174.900 0.010 0.000 1.341 410 G CA -0.397 44.708 45.100 0.008 0.000 0.880 410 G HN 0.468 nan 8.290 nan 0.000 0.566 411 V N -2.646 117.274 119.914 0.010 0.000 2.876 411 V HA 0.950 5.070 4.120 -0.000 0.000 0.312 411 V C 0.548 176.649 176.094 0.011 0.000 1.085 411 V CA -0.010 62.296 62.300 0.010 0.000 0.945 411 V CB 1.117 32.945 31.823 0.008 0.000 1.017 411 V HN 2.341 nan 8.190 nan 0.000 0.428 412 V N -0.193 119.728 119.914 0.011 0.000 3.158 412 V HA 1.027 5.147 4.120 -0.000 0.000 0.311 412 V C 0.482 176.582 176.094 0.010 0.000 1.181 412 V CA -0.689 61.618 62.300 0.013 0.000 1.054 412 V CB 1.486 33.318 31.823 0.015 0.000 1.085 412 V HN 1.857 nan 8.190 nan 0.000 0.446 413 A N 0.930 123.757 122.820 0.012 0.000 2.454 413 A HA 0.679 4.999 4.320 -0.000 0.000 0.260 413 A C 0.844 178.427 177.584 -0.002 0.000 1.106 413 A CA 0.475 52.514 52.037 0.004 0.000 0.780 413 A CB -0.445 18.560 19.000 0.008 0.000 1.044 413 A HN 1.877 nan 8.150 nan 0.000 0.498 414 G N 0.685 109.478 108.800 -0.012 0.000 2.611 414 G HA2 0.496 4.456 3.960 -0.000 0.000 0.273 414 G HA3 0.496 4.456 3.960 -0.000 0.000 0.273 414 G C 1.195 176.086 174.900 -0.015 0.000 1.305 414 G CA 0.074 45.166 45.100 -0.013 0.000 1.010 414 G HN 2.251 nan 8.290 nan 0.000 0.509 415 G N -2.385 106.408 108.800 -0.012 0.000 2.179 415 G HA2 0.201 4.161 3.960 -0.000 0.000 0.260 415 G HA3 0.201 4.161 3.960 -0.000 0.000 0.260 415 G C 1.532 176.436 174.900 0.008 0.000 0.977 415 G CA 1.052 46.148 45.100 -0.006 0.000 0.641 415 G HN 2.585 nan 8.290 nan 0.000 0.533 416 G N -1.907 106.898 108.800 0.008 0.000 2.148 416 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.254 416 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.254 416 G C 1.808 176.718 174.900 0.018 0.000 0.981 416 G CA 1.932 47.040 45.100 0.014 0.000 0.670 416 G HN 2.226 nan 8.290 nan 0.000 0.528 417 V N -2.593 117.331 119.914 0.017 0.000 2.719 417 V HA 0.436 4.556 4.120 -0.000 0.000 0.252 417 V C 2.793 178.905 176.094 0.029 0.000 1.065 417 V CA 1.729 64.043 62.300 0.024 0.000 1.086 417 V CB -0.684 31.147 31.823 0.013 0.000 0.700 417 V HN 1.366 nan 8.190 nan 0.000 0.467 418 A N 0.986 123.819 122.820 0.022 0.000 1.940 418 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 418 A C 2.228 179.827 177.584 0.025 0.000 1.176 418 A CA 2.359 54.411 52.037 0.024 0.000 0.631 418 A CB -0.723 18.288 19.000 0.018 0.000 0.814 418 A HN 0.596 nan 8.150 nan 0.000 0.446 419 L N -1.225 120.011 121.223 0.022 0.000 2.141 419 L HA -0.041 4.299 4.340 -0.000 0.000 0.209 419 L C 2.389 179.274 176.870 0.024 0.000 1.094 419 L CA 1.113 55.966 54.840 0.021 0.000 0.763 419 L CB -0.206 41.864 42.059 0.019 0.000 0.908 419 L HN 0.461 nan 8.230 nan 0.000 0.437 420 I N -0.822 119.766 120.570 0.030 0.000 3.059 420 I HA -0.168 4.002 4.170 -0.000 0.000 0.270 420 I C 2.538 178.681 176.117 0.043 0.000 1.238 420 I CA 0.378 61.699 61.300 0.035 0.000 1.478 420 I CB 0.131 38.155 38.000 0.039 0.000 1.097 420 I HN 0.147 nan 8.210 nan 0.000 0.455 421 R N 0.052 120.580 120.500 0.046 0.000 2.112 421 R HA -0.001 4.339 4.340 -0.000 0.000 0.216 421 R C 1.941 178.264 176.300 0.038 0.000 1.080 421 R CA 1.402 57.534 56.100 0.052 0.000 0.996 421 R CB -0.689 29.648 30.300 0.061 0.000 0.902 421 R HN 0.150 nan 8.270 nan 0.000 0.449 422 V N 1.012 120.945 119.914 0.031 0.000 2.295 422 V HA -0.208 3.912 4.120 -0.000 0.000 0.246 422 V C 2.283 178.389 176.094 0.020 0.000 1.049 422 V CA 2.039 64.353 62.300 0.023 0.000 1.024 422 V CB -0.807 31.027 31.823 0.018 0.000 0.648 422 V HN 0.529 nan 8.190 nan 0.000 0.447 423 A N 0.493 123.326 122.820 0.021 0.000 1.877 423 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 423 A C 2.538 180.134 177.584 0.020 0.000 1.186 423 A CA 2.342 54.390 52.037 0.018 0.000 0.620 423 A CB -0.868 18.143 19.000 0.019 0.000 0.822 423 A HN 0.705 nan 8.150 nan 0.000 0.443 424 S N -0.352 115.364 115.700 0.026 0.000 2.442 424 S HA -0.111 4.359 4.470 -0.000 0.000 0.236 424 S C 1.555 176.169 174.600 0.022 0.000 1.007 424 S CA 1.484 59.700 58.200 0.027 0.000 0.965 424 S CB -0.310 62.913 63.200 0.037 0.000 0.773 424 S HN 0.598 nan 8.310 nan 0.000 0.504 425 K N 0.340 120.753 120.400 0.021 0.000 2.404 425 K HA 0.326 4.646 4.320 -0.000 0.000 0.194 425 K C 0.519 177.126 176.600 0.013 0.000 1.023 425 K CA 0.147 56.444 56.287 0.017 0.000 1.094 425 K CB 0.008 32.519 32.500 0.018 0.000 0.841 425 K HN 0.407 nan 8.250 nan 0.000 0.523 426 L N 0.286 121.517 121.223 0.013 0.000 2.928 426 L HA 0.232 4.572 4.340 -0.000 0.000 0.246 426 L C 1.482 178.357 176.870 0.009 0.000 1.239 426 L CA -0.248 54.598 54.840 0.010 0.000 1.035 426 L CB 0.393 42.458 42.059 0.009 0.000 1.360 426 L HN 0.050 nan 8.230 nan 0.000 0.529 427 A N -0.599 122.227 122.820 0.009 0.000 2.067 427 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 427 A C 1.502 179.090 177.584 0.006 0.000 1.158 427 A CA 1.188 53.230 52.037 0.008 0.000 0.661 427 A CB -0.090 18.915 19.000 0.009 0.000 0.801 427 A HN 0.336 nan 8.150 nan 0.000 0.452 428 D N -0.794 119.609 120.400 0.006 0.000 2.342 428 D HA 0.140 4.780 4.640 -0.000 0.000 0.221 428 D C -0.250 176.053 176.300 0.004 0.000 1.101 428 D CA -0.097 53.905 54.000 0.004 0.000 0.837 428 D CB 0.225 41.028 40.800 0.004 0.000 0.938 428 D HN 0.299 nan 8.370 nan 0.000 0.508 429 L N 2.297 123.523 121.223 0.005 0.000 2.325 429 L HA 0.148 4.488 4.340 -0.000 0.000 0.284 429 L C 0.157 177.029 176.870 0.004 0.000 1.089 429 L CA 0.184 55.026 54.840 0.004 0.000 0.836 429 L CB 0.032 42.093 42.059 0.004 0.000 1.184 429 L HN -0.260 nan 8.230 nan 0.000 0.444 430 R N 2.942 123.444 120.500 0.003 0.000 2.943 430 R HA 0.781 5.121 4.340 -0.000 0.000 0.246 430 R C 0.037 176.339 176.300 0.003 0.000 1.201 430 R CA -0.333 55.769 56.100 0.003 0.000 1.056 430 R CB 1.214 31.515 30.300 0.003 0.000 1.243 430 R HN 0.730 nan 8.270 nan 0.000 0.498 431 G N -0.521 108.281 108.800 0.003 0.000 3.264 431 G HA2 0.203 4.163 3.960 -0.000 0.000 0.168 431 G HA3 0.203 4.163 3.960 -0.000 0.000 0.168 431 G C 0.071 174.972 174.900 0.002 0.000 1.145 431 G CA -0.088 45.014 45.100 0.002 0.000 0.855 431 G HN 0.403 nan 8.290 nan 0.000 0.629 432 Q N -0.563 119.239 119.800 0.002 0.000 2.274 432 Q HA 0.141 4.481 4.340 -0.000 0.000 0.198 432 Q C 0.597 176.599 176.000 0.002 0.000 0.955 432 Q CA 0.893 56.698 55.803 0.002 0.000 0.859 432 Q CB 0.146 28.885 28.738 0.002 0.000 0.956 432 Q HN 0.643 nan 8.270 nan 0.000 0.516 433 N N -1.064 117.638 118.700 0.003 0.000 2.815 433 N HA 0.145 4.885 4.740 -0.000 0.000 0.315 433 N C 0.090 175.602 175.510 0.003 0.000 1.320 433 N CA -0.530 52.522 53.050 0.003 0.000 0.846 433 N CB 0.538 39.027 38.487 0.003 0.000 1.344 433 N HN -0.277 nan 8.380 nan 0.000 0.593 434 K N -0.796 119.605 120.400 0.003 0.000 2.243 434 K HA 0.076 4.396 4.320 -0.000 0.000 0.201 434 K C 0.310 176.912 176.600 0.004 0.000 1.051 434 K CA 1.210 57.499 56.287 0.003 0.000 0.970 434 K CB -0.422 32.079 32.500 0.003 0.000 0.755 434 K HN 0.565 nan 8.250 nan 0.000 0.465 435 D N 0.594 120.996 120.400 0.004 0.000 2.218 435 D HA -0.130 4.510 4.640 -0.000 0.000 0.204 435 D C 1.680 177.983 176.300 0.005 0.000 0.976 435 D CA 0.966 54.969 54.000 0.005 0.000 0.853 435 D CB 0.081 40.884 40.800 0.005 0.000 0.939 435 D HN 0.404 nan 8.370 nan 0.000 0.481 436 Q N 0.107 119.909 119.800 0.004 0.000 2.020 436 Q HA -0.077 4.263 4.340 -0.000 0.000 0.198 436 Q C 1.797 177.800 176.000 0.004 0.000 0.974 436 Q CA 0.835 56.641 55.803 0.004 0.000 0.829 436 Q CB -0.108 28.633 28.738 0.004 0.000 0.894 436 Q HN 0.229 nan 8.270 nan 0.000 0.433 437 N N 0.549 119.252 118.700 0.004 0.000 2.094 437 N HA -0.151 4.589 4.740 -0.000 0.000 0.191 437 N C 1.906 177.419 175.510 0.004 0.000 1.023 437 N CA 1.302 54.354 53.050 0.004 0.000 0.857 437 N CB -0.699 37.790 38.487 0.004 0.000 1.013 437 N HN 0.047 nan 8.380 nan 0.000 0.426 438 V N 0.719 120.636 119.914 0.005 0.000 2.332 438 V HA -0.182 3.938 4.120 -0.000 0.000 0.248 438 V C 2.471 178.569 176.094 0.006 0.000 1.055 438 V CA 2.066 64.369 62.300 0.005 0.000 1.038 438 V CB -1.448 30.378 31.823 0.005 0.000 0.651 438 V HN 0.399 nan 8.190 nan 0.000 0.450 439 G N -0.251 108.553 108.800 0.006 0.000 2.450 439 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.220 439 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.220 439 G C 1.557 176.461 174.900 0.006 0.000 1.130 439 G CA 0.963 46.066 45.100 0.006 0.000 0.760 439 G HN 0.520 nan 8.290 nan 0.000 0.557 440 I N -0.087 120.486 120.570 0.005 0.000 2.353 440 I HA -0.073 4.097 4.170 -0.000 0.000 0.248 440 I C 2.667 178.788 176.117 0.006 0.000 1.119 440 I CA 0.716 62.019 61.300 0.005 0.000 1.417 440 I CB -0.042 37.961 38.000 0.005 0.000 1.078 440 I HN -0.002 nan 8.210 nan 0.000 0.421 441 K N 0.665 121.069 120.400 0.006 0.000 2.001 441 K HA -0.064 4.256 4.320 -0.000 0.000 0.208 441 K C 2.142 178.746 176.600 0.007 0.000 1.048 441 K CA 1.091 57.382 56.287 0.007 0.000 0.932 441 K CB -0.696 31.808 32.500 0.006 0.000 0.715 441 K HN 0.160 nan 8.250 nan 0.000 0.437 442 V N 1.889 121.807 119.914 0.007 0.000 2.568 442 V HA -0.251 3.869 4.120 -0.000 0.000 0.253 442 V C 2.440 178.539 176.094 0.009 0.000 1.072 442 V CA 1.893 64.197 62.300 0.008 0.000 1.084 442 V CB -0.790 31.038 31.823 0.008 0.000 0.676 442 V HN 0.300 nan 8.190 nan 0.000 0.469 443 A N -0.202 122.623 122.820 0.009 0.000 1.872 443 A HA -0.089 4.231 4.320 -0.000 0.000 0.214 443 A C 2.179 179.769 177.584 0.010 0.000 1.187 443 A CA 1.528 53.571 52.037 0.009 0.000 0.614 443 A CB -0.444 18.561 19.000 0.007 0.000 0.826 443 A HN 0.480 nan 8.150 nan 0.000 0.442 444 L N -1.025 120.204 121.223 0.009 0.000 2.017 444 L HA -0.171 4.168 4.340 -0.000 0.000 0.208 444 L C 2.826 179.703 176.870 0.012 0.000 1.073 444 L CA 1.480 56.327 54.840 0.011 0.000 0.745 444 L CB -0.479 41.586 42.059 0.010 0.000 0.894 444 L HN 0.319 nan 8.230 nan 0.000 0.432 445 R N -0.184 120.323 120.500 0.010 0.000 2.127 445 R HA -0.145 4.195 4.340 -0.000 0.000 0.238 445 R C 2.302 178.608 176.300 0.011 0.000 1.134 445 R CA 1.307 57.413 56.100 0.010 0.000 0.975 445 R CB -0.376 29.930 30.300 0.009 0.000 0.865 445 R HN 0.381 nan 8.270 nan 0.000 0.447 446 A N 0.356 123.183 122.820 0.011 0.000 2.067 446 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 446 A C 1.923 179.515 177.584 0.013 0.000 1.156 446 A CA 0.775 52.820 52.037 0.012 0.000 0.683 446 A CB -0.209 18.799 19.000 0.013 0.000 0.808 446 A HN 0.191 nan 8.150 nan 0.000 0.455 447 M N -0.441 119.167 119.600 0.014 0.000 2.557 447 M HA -0.076 4.404 4.480 -0.000 0.000 0.259 447 M C 1.460 177.770 176.300 0.017 0.000 1.086 447 M CA 0.976 56.285 55.300 0.015 0.000 1.096 447 M CB -0.209 32.401 32.600 0.016 0.000 1.424 447 M HN 0.476 nan 8.290 nan 0.000 0.488 448 E N 0.713 120.922 120.200 0.015 0.000 2.140 448 E HA 0.015 4.365 4.350 -0.000 0.000 0.191 448 E C 2.246 178.853 176.600 0.012 0.000 0.973 448 E CA 0.742 57.151 56.400 0.015 0.000 0.829 448 E CB -0.118 29.590 29.700 0.014 0.000 0.781 448 E HN 0.476 nan 8.360 nan 0.000 0.466 449 A N 2.553 125.379 122.820 0.011 0.000 1.915 449 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 449 A C -0.264 177.325 177.584 0.010 0.000 1.198 449 A CA 1.888 53.930 52.037 0.009 0.000 0.647 449 A CB -1.708 17.298 19.000 0.010 0.000 0.825 449 A HN 0.156 nan 8.150 nan 0.000 0.456 450 P HA -0.179 nan 4.420 nan 0.000 0.214 450 P C 1.834 179.142 177.300 0.013 0.000 1.163 450 P CA 1.220 64.328 63.100 0.013 0.000 0.889 450 P CB -0.169 31.540 31.700 0.015 0.000 0.790 451 L N -0.929 120.303 121.223 0.015 0.000 2.017 451 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 451 L C 2.550 179.424 176.870 0.007 0.000 1.073 451 L CA 1.710 56.560 54.840 0.016 0.000 0.745 451 L CB -0.305 41.765 42.059 0.019 0.000 0.894 451 L HN -0.184 nan 8.230 nan 0.000 0.432 452 R N -0.819 119.682 120.500 0.002 0.000 2.081 452 R HA -0.225 4.115 4.340 -0.000 0.000 0.235 452 R C 2.303 178.599 176.300 -0.006 0.000 1.131 452 R CA 1.706 57.802 56.100 -0.007 0.000 0.960 452 R CB -0.293 30.005 30.300 -0.004 0.000 0.856 452 R HN 0.385 nan 8.270 nan 0.000 0.436 453 Q N 0.973 120.774 119.800 0.002 0.000 2.123 453 Q HA -0.026 4.314 4.340 -0.000 0.000 0.199 453 Q C 1.787 177.792 176.000 0.008 0.000 0.966 453 Q CA 1.340 57.145 55.803 0.004 0.000 0.845 453 Q CB -0.009 28.732 28.738 0.006 0.000 0.907 453 Q HN 0.352 nan 8.270 nan 0.000 0.439 454 I N -0.674 119.904 120.570 0.013 0.000 2.493 454 I HA -0.192 3.978 4.170 -0.000 0.000 0.254 454 I C 1.837 177.975 176.117 0.034 0.000 1.160 454 I CA 0.522 61.837 61.300 0.024 0.000 1.445 454 I CB -0.195 37.825 38.000 0.034 0.000 1.086 454 I HN 0.007 nan 8.210 nan 0.000 0.433 455 V N 0.557 120.480 119.914 0.015 0.000 2.379 455 V HA -0.227 3.893 4.120 -0.000 0.000 0.245 455 V C 2.387 178.475 176.094 -0.010 0.000 1.044 455 V CA 1.305 63.596 62.300 -0.014 0.000 1.036 455 V CB -0.498 31.270 31.823 -0.092 0.000 0.664 455 V HN 0.306 nan 8.190 nan 0.000 0.453 456 L N 1.121 122.338 121.223 -0.009 0.000 1.989 456 L HA -0.187 4.152 4.340 -0.000 0.000 0.211 456 L C 2.245 179.118 176.870 0.005 0.000 1.071 456 L CA 2.053 56.890 54.840 -0.005 0.000 0.749 456 L CB -0.996 41.061 42.059 -0.003 0.000 0.890 456 L HN 0.311 nan 8.230 nan 0.000 0.431 457 N N -1.236 117.470 118.700 0.009 0.000 2.334 457 N HA -0.190 4.550 4.740 -0.000 0.000 0.187 457 N C 1.566 177.086 175.510 0.018 0.000 1.016 457 N CA 1.575 54.632 53.050 0.012 0.000 0.879 457 N CB -0.718 37.776 38.487 0.012 0.000 0.965 457 N HN 0.429 nan 8.380 nan 0.000 0.438 458 C N -0.983 118.334 119.300 0.028 0.000 2.791 458 C HA 0.372 4.832 4.460 -0.000 0.000 0.270 458 C C 1.654 176.664 174.990 0.033 0.000 1.257 458 C CA 0.091 59.134 59.018 0.042 0.000 1.699 458 C CB -0.944 26.847 27.740 0.086 0.000 1.904 458 C HN 0.607 nan 8.230 nan 0.000 0.603 459 G N 1.347 110.157 108.800 0.018 0.000 2.148 459 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.254 459 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.254 459 G C -0.265 174.638 174.900 0.005 0.000 0.981 459 G CA 0.186 45.292 45.100 0.011 0.000 0.670 459 G HN 0.553 nan 8.290 nan 0.000 0.528 460 E N 0.523 120.721 120.200 -0.004 0.000 2.242 460 E HA 0.372 4.722 4.350 -0.000 0.000 0.275 460 E C 0.160 176.731 176.600 -0.048 0.000 1.002 460 E CA -0.746 55.637 56.400 -0.028 0.000 0.841 460 E CB 1.022 30.687 29.700 -0.059 0.000 1.109 460 E HN 0.494 nan 8.360 nan 0.000 0.394 461 E N 2.848 123.020 120.200 -0.046 0.000 2.383 461 E HA -0.006 4.344 4.350 -0.000 0.000 0.257 461 E C -1.560 175.004 176.600 -0.059 0.000 1.079 461 E CA -1.330 55.046 56.400 -0.040 0.000 0.934 461 E CB 0.555 30.239 29.700 -0.027 0.000 0.978 461 E HN 0.182 nan 8.360 nan 0.000 0.462 462 P HA -0.158 nan 4.420 nan 0.000 0.217 462 P C 1.125 178.402 177.300 -0.039 0.000 1.151 462 P CA 0.960 64.028 63.100 -0.053 0.000 0.828 462 P CB 0.284 31.966 31.700 -0.031 0.000 0.788 463 S N -0.633 115.052 115.700 -0.025 0.000 2.383 463 S HA -0.123 4.347 4.470 -0.000 0.000 0.229 463 S C 2.001 176.592 174.600 -0.014 0.000 1.030 463 S CA 1.413 59.605 58.200 -0.015 0.000 1.002 463 S CB -1.784 61.410 63.200 -0.010 0.000 0.829 463 S HN -0.036 nan 8.310 nan 0.000 0.467 464 V N 1.794 121.695 119.914 -0.022 0.000 2.270 464 V HA -0.112 4.008 4.120 -0.000 0.000 0.245 464 V C 2.564 178.653 176.094 -0.009 0.000 1.043 464 V CA 1.507 63.796 62.300 -0.017 0.000 1.014 464 V CB -0.905 30.905 31.823 -0.020 0.000 0.645 464 V HN 0.419 nan 8.190 nan 0.000 0.447 465 V N 0.540 120.434 119.914 -0.034 0.000 2.407 465 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 465 V C 2.748 178.866 176.094 0.041 0.000 1.055 465 V CA 1.873 64.167 62.300 -0.010 0.000 1.049 465 V CB -1.263 30.403 31.823 -0.263 0.000 0.662 465 V HN 0.542 nan 8.190 nan 0.000 0.455 466 A N 0.806 123.629 122.820 0.006 0.000 1.883 466 A HA -0.323 3.997 4.320 -0.000 0.000 0.217 466 A C 2.097 179.713 177.584 0.053 0.000 1.186 466 A CA 2.513 54.568 52.037 0.030 0.000 0.624 466 A CB -0.876 18.131 19.000 0.012 0.000 0.822 466 A HN 0.630 nan 8.150 nan 0.000 0.444 467 N N -0.733 117.988 118.700 0.035 0.000 2.188 467 N HA -0.108 4.632 4.740 -0.000 0.000 0.184 467 N C 1.583 177.121 175.510 0.046 0.000 1.018 467 N CA 2.207 55.277 53.050 0.033 0.000 0.858 467 N CB -0.429 38.065 38.487 0.012 0.000 0.989 467 N HN 0.372 nan 8.380 nan 0.000 0.426 468 T N -0.662 113.920 114.554 0.046 0.000 2.867 468 T HA -0.040 4.310 4.350 -0.000 0.000 0.268 468 T C 1.850 176.659 174.700 0.182 0.000 1.057 468 T CA 1.161 63.278 62.100 0.028 0.000 1.136 468 T CB -0.204 68.582 68.868 -0.138 0.000 0.874 468 T HN 0.040 nan 8.240 nan 0.000 0.466 469 V N 1.187 121.245 119.914 0.239 0.000 2.407 469 V HA -0.061 4.059 4.120 -0.000 0.000 0.245 469 V C 2.372 178.607 176.094 0.234 0.000 1.041 469 V CA 1.230 63.709 62.300 0.299 0.000 1.040 469 V CB -0.450 31.492 31.823 0.198 0.000 0.671 469 V HN 0.397 nan 8.190 nan 0.000 0.455 470 K N 0.542 121.025 120.400 0.138 0.000 2.228 470 K HA -0.190 4.130 4.320 -0.000 0.000 0.205 470 K C 2.026 178.679 176.600 0.089 0.000 1.045 470 K CA 1.574 57.918 56.287 0.096 0.000 0.931 470 K CB -0.490 32.046 32.500 0.060 0.000 0.727 470 K HN 0.586 nan 8.250 nan 0.000 0.458 471 G N 0.300 109.156 108.800 0.093 0.000 2.551 471 G HA2 0.010 3.970 3.960 -0.000 0.000 0.216 471 G HA3 0.010 3.970 3.960 -0.000 0.000 0.216 471 G C 0.770 175.669 174.900 -0.002 0.000 1.137 471 G CA 0.414 45.536 45.100 0.038 0.000 0.798 471 G HN 0.369 nan 8.290 nan 0.000 0.536 472 G N -0.801 108.024 108.800 0.042 0.000 2.504 472 G HA2 0.470 4.430 3.960 -0.000 0.000 0.257 472 G HA3 0.470 4.430 3.960 -0.000 0.000 0.257 472 G C -0.969 173.927 174.900 -0.006 0.000 1.451 472 G CA -0.256 44.762 45.100 -0.137 0.000 1.059 472 G HN 0.117 nan 8.290 nan 0.000 0.550 473 D N -2.591 117.809 120.400 -0.000 0.000 2.583 473 D HA 0.506 5.146 4.640 -0.000 0.000 0.248 473 D C 0.785 177.142 176.300 0.094 0.000 1.209 473 D CA 0.738 54.766 54.000 0.047 0.000 0.848 473 D CB 1.915 42.717 40.800 0.002 0.000 1.431 473 D HN 0.906 nan 8.370 nan 0.000 0.436 474 G N 1.647 110.493 108.800 0.076 0.000 2.565 474 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.295 474 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.295 474 G C 0.422 175.380 174.900 0.097 0.000 1.165 474 G CA 0.599 45.744 45.100 0.075 0.000 0.977 474 G HN 0.566 nan 8.290 nan 0.000 0.546 475 N N 0.019 118.781 118.700 0.104 0.000 2.279 475 N HA 0.323 5.063 4.740 -0.000 0.000 0.226 475 N C -0.037 175.550 175.510 0.129 0.000 1.126 475 N CA -0.096 53.009 53.050 0.093 0.000 0.846 475 N CB 0.285 38.807 38.487 0.059 0.000 1.050 475 N HN 0.493 nan 8.380 nan 0.000 0.502 476 Y N 1.223 121.553 120.300 0.049 0.000 2.605 476 Y HA 0.363 4.913 4.550 -0.000 0.000 0.336 476 Y C 0.821 176.780 175.900 0.099 0.000 1.111 476 Y CA -0.042 58.103 58.100 0.076 0.000 1.422 476 Y CB -0.147 38.360 38.460 0.079 0.000 1.193 476 Y HN 0.049 nan 8.280 nan 0.000 0.526 477 G N 4.322 112.920 108.800 -0.337 0.000 3.166 477 G HA2 0.287 4.247 3.960 -0.000 0.000 0.267 477 G HA3 0.287 4.247 3.960 -0.000 0.000 0.267 477 G C -2.280 172.431 174.900 -0.316 0.000 1.256 477 G CA -0.835 44.120 45.100 -0.241 0.000 0.859 477 G HN 0.525 nan 8.290 nan 0.000 0.590 478 Y N 1.161 121.240 120.300 -0.369 0.000 2.338 478 Y HA 0.509 5.059 4.550 -0.000 0.000 0.333 478 Y C -0.212 175.471 175.900 -0.363 0.000 0.968 478 Y CA -1.212 56.545 58.100 -0.572 0.000 1.123 478 Y CB 1.559 39.594 38.460 -0.707 0.000 1.165 478 Y HN 0.424 nan 8.280 nan 0.000 0.452 479 N N 4.855 123.014 118.700 -0.902 0.000 2.416 479 N HA 0.054 4.794 4.740 -0.000 0.000 0.271 479 N C 0.747 175.663 175.510 -0.990 0.000 1.245 479 N CA 0.857 53.474 53.050 -0.721 0.000 0.940 479 N CB 1.434 39.630 38.487 -0.487 0.000 1.175 479 N HN 0.989 nan 8.380 nan 0.000 0.483 480 A N 4.389 126.907 122.820 -0.503 0.000 1.902 480 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 480 A C 2.090 179.564 177.584 -0.183 0.000 1.181 480 A CA 1.888 53.794 52.037 -0.219 0.000 0.623 480 A CB -0.584 18.390 19.000 -0.044 0.000 0.818 480 A HN 0.733 nan 8.150 nan 0.000 0.443 481 A N -0.540 122.168 122.820 -0.186 0.000 1.854 481 A HA -0.048 4.272 4.320 -0.000 0.000 0.214 481 A C 2.422 179.926 177.584 -0.134 0.000 1.192 481 A CA 2.425 54.389 52.037 -0.122 0.000 0.611 481 A CB -1.210 17.730 19.000 -0.100 0.000 0.832 481 A HN 0.781 nan 8.150 nan 0.000 0.442 482 T N -3.797 110.639 114.554 -0.197 0.000 3.067 482 T HA 0.146 4.496 4.350 -0.000 0.000 0.257 482 T C 0.514 175.098 174.700 -0.194 0.000 1.105 482 T CA 0.928 62.928 62.100 -0.167 0.000 1.104 482 T CB -0.267 68.510 68.868 -0.151 0.000 0.925 482 T HN 0.593 nan 8.240 nan 0.000 0.498 483 E N 0.380 120.353 120.200 -0.378 0.000 3.070 483 E HA -0.130 4.220 4.350 -0.000 0.000 0.285 483 E C -0.810 175.636 176.600 -0.258 0.000 0.972 483 E CA 0.567 56.784 56.400 -0.304 0.000 0.915 483 E CB -0.925 28.822 29.700 0.078 0.000 1.466 483 E HN 0.629 nan 8.360 nan 0.000 0.432 484 E N -0.144 119.792 120.200 -0.440 0.000 2.214 484 E HA 0.359 4.709 4.350 -0.000 0.000 0.274 484 E C -0.374 176.019 176.600 -0.345 0.000 0.977 484 E CA -0.405 55.873 56.400 -0.203 0.000 0.827 484 E CB 0.752 30.385 29.700 -0.111 0.000 1.130 484 E HN 0.054 nan 8.360 nan 0.000 0.394 485 Y N 0.022 120.311 120.300 -0.018 0.000 2.335 485 Y HA 0.569 5.119 4.550 -0.000 0.000 0.323 485 Y C 1.153 177.023 175.900 -0.050 0.000 1.224 485 Y CA 0.582 58.646 58.100 -0.060 0.000 1.241 485 Y CB 1.855 40.353 38.460 0.063 0.000 1.235 485 Y HN 0.689 nan 8.280 nan 0.000 0.492 486 G N 1.186 109.975 108.800 -0.019 0.000 2.352 486 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.283 486 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.283 486 G C -1.778 173.142 174.900 0.033 0.000 1.308 486 G CA -1.241 43.929 45.100 0.118 0.000 0.892 486 G HN 0.517 nan 8.290 nan 0.000 0.504 487 N N 1.096 119.851 118.700 0.092 0.000 2.420 487 N HA 0.160 4.900 4.740 -0.000 0.000 0.262 487 N C 1.772 177.284 175.510 0.003 0.000 1.144 487 N CA -0.473 52.618 53.050 0.068 0.000 0.952 487 N CB 0.819 39.356 38.487 0.083 0.000 1.081 487 N HN 0.391 nan 8.380 nan 0.000 0.480 488 M N 3.502 123.090 119.600 -0.019 0.000 2.117 488 M HA -0.159 4.321 4.480 -0.000 0.000 0.262 488 M C 1.688 177.972 176.300 -0.028 0.000 1.065 488 M CA 1.071 56.343 55.300 -0.046 0.000 1.114 488 M CB -0.609 31.963 32.600 -0.045 0.000 1.361 488 M HN 0.537 nan 8.290 nan 0.000 0.408 489 I N 0.728 121.294 120.570 -0.007 0.000 2.127 489 I HA -0.290 3.880 4.170 -0.000 0.000 0.241 489 I C 1.936 178.051 176.117 -0.004 0.000 1.075 489 I CA 1.614 62.913 61.300 -0.002 0.000 1.334 489 I CB -1.832 36.174 38.000 0.009 0.000 1.040 489 I HN 0.232 nan 8.210 nan 0.000 0.405 490 D N 0.507 120.909 120.400 0.003 0.000 2.149 490 D HA -0.191 4.449 4.640 -0.000 0.000 0.198 490 D C 2.312 178.606 176.300 -0.010 0.000 0.990 490 D CA 1.196 55.197 54.000 0.002 0.000 0.839 490 D CB -0.252 40.555 40.800 0.012 0.000 0.948 490 D HN 0.325 nan 8.370 nan 0.000 0.460 491 M N -1.045 118.543 119.600 -0.021 0.000 2.394 491 M HA 0.033 4.513 4.480 -0.000 0.000 0.264 491 M C 1.410 177.685 176.300 -0.040 0.000 1.073 491 M CA 1.183 56.460 55.300 -0.039 0.000 1.111 491 M CB 0.321 32.881 32.600 -0.066 0.000 1.401 491 M HN 0.265 nan 8.290 nan 0.000 0.448 492 G N 0.840 109.621 108.800 -0.031 0.000 2.213 492 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.226 492 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.226 492 G C 0.264 175.145 174.900 -0.031 0.000 0.992 492 G CA -0.398 44.686 45.100 -0.027 0.000 0.632 492 G HN 0.429 nan 8.290 nan 0.000 0.511 493 I N 2.384 122.928 120.570 -0.044 0.000 2.329 493 I HA 0.477 4.647 4.170 -0.000 0.000 0.295 493 I C 0.340 176.439 176.117 -0.031 0.000 1.109 493 I CA -0.193 61.080 61.300 -0.045 0.000 1.297 493 I CB -0.027 37.932 38.000 -0.070 0.000 1.433 493 I HN 0.287 nan 8.210 nan 0.000 0.509 494 L N 3.889 125.100 121.223 -0.019 0.000 2.424 494 L HA 0.741 5.081 4.340 -0.000 0.000 0.258 494 L C -1.307 175.562 176.870 -0.003 0.000 0.995 494 L CA -0.754 54.080 54.840 -0.009 0.000 0.821 494 L CB 1.991 44.047 42.059 -0.005 0.000 1.383 494 L HN 0.114 nan 8.230 nan 0.000 0.410 495 D N 0.894 121.295 120.400 0.002 0.000 2.649 495 D HA 0.452 5.092 4.640 -0.000 0.000 0.249 495 D C -2.753 173.554 176.300 0.012 0.000 1.112 495 D CA -1.165 52.840 54.000 0.008 0.000 0.850 495 D CB 2.309 43.114 40.800 0.009 0.000 1.399 495 D HN 0.354 nan 8.370 nan 0.000 0.503 496 P HA -0.022 nan 4.420 nan 0.000 0.264 496 P C 0.952 178.262 177.300 0.017 0.000 1.179 496 P CA 0.116 63.226 63.100 0.018 0.000 0.763 496 P CB 0.535 32.250 31.700 0.024 0.000 0.806 497 T N 1.383 115.946 114.554 0.015 0.000 2.929 497 T HA -0.165 4.185 4.350 -0.000 0.000 0.271 497 T C 1.511 176.220 174.700 0.014 0.000 1.085 497 T CA 1.219 63.327 62.100 0.013 0.000 1.125 497 T CB -0.230 68.644 68.868 0.010 0.000 0.874 497 T HN 0.504 nan 8.240 nan 0.000 0.494 498 K N 1.092 121.503 120.400 0.019 0.000 2.243 498 K HA 0.011 4.331 4.320 -0.000 0.000 0.201 498 K C 2.360 178.980 176.600 0.033 0.000 1.051 498 K CA 0.704 57.005 56.287 0.024 0.000 0.970 498 K CB -0.001 32.517 32.500 0.030 0.000 0.755 498 K HN 0.349 nan 8.250 nan 0.000 0.465 499 V N -1.276 118.659 119.914 0.035 0.000 2.488 499 V HA -0.088 4.032 4.120 -0.000 0.000 0.246 499 V C 1.662 177.777 176.094 0.036 0.000 1.046 499 V CA 1.883 64.207 62.300 0.041 0.000 1.053 499 V CB -0.451 31.393 31.823 0.036 0.000 0.679 499 V HN 0.156 nan 8.190 nan 0.000 0.458 500 T N 0.402 114.971 114.554 0.025 0.000 2.812 500 T HA -0.058 4.292 4.350 -0.000 0.000 0.264 500 T C 1.976 176.685 174.700 0.015 0.000 1.042 500 T CA 1.704 63.816 62.100 0.021 0.000 1.140 500 T CB -0.353 68.525 68.868 0.016 0.000 0.870 500 T HN 0.554 nan 8.240 nan 0.000 0.445 501 R N 1.259 121.763 120.500 0.006 0.000 2.080 501 R HA -0.123 4.217 4.340 -0.000 0.000 0.236 501 R C 2.482 178.764 176.300 -0.030 0.000 1.137 501 R CA 1.935 58.027 56.100 -0.013 0.000 0.943 501 R CB -0.471 29.818 30.300 -0.018 0.000 0.846 501 R HN 0.263 nan 8.270 nan 0.000 0.431 502 S N 0.503 116.199 115.700 -0.007 0.000 2.382 502 S HA -0.132 4.338 4.470 -0.000 0.000 0.228 502 S C 2.005 176.662 174.600 0.096 0.000 1.027 502 S CA 1.158 59.364 58.200 0.009 0.000 0.991 502 S CB -0.234 63.043 63.200 0.128 0.000 0.823 502 S HN 0.583 nan 8.310 nan 0.000 0.469 503 A N 1.390 124.265 122.820 0.092 0.000 1.877 503 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 503 A C 2.137 179.765 177.584 0.074 0.000 1.186 503 A CA 1.354 53.452 52.037 0.101 0.000 0.620 503 A CB -0.772 18.265 19.000 0.061 0.000 0.822 503 A HN 0.397 nan 8.150 nan 0.000 0.443 504 L N -0.142 121.099 121.223 0.030 0.000 1.976 504 L HA -0.231 4.109 4.340 -0.000 0.000 0.209 504 L C 2.654 179.520 176.870 -0.007 0.000 1.071 504 L CA 2.465 57.312 54.840 0.011 0.000 0.746 504 L CB -0.783 41.275 42.059 -0.002 0.000 0.890 504 L HN 0.517 nan 8.230 nan 0.000 0.432 505 Q N -1.768 117.993 119.800 -0.066 0.000 2.061 505 Q HA -0.260 4.080 4.340 -0.000 0.000 0.204 505 Q C 2.199 178.131 176.000 -0.114 0.000 0.984 505 Q CA 2.210 57.931 55.803 -0.137 0.000 0.846 505 Q CB -0.419 28.157 28.738 -0.270 0.000 0.902 505 Q HN 0.510 nan 8.270 nan 0.000 0.421 506 Y N 0.306 120.609 120.300 0.005 0.000 2.224 506 Y HA -0.195 4.355 4.550 -0.000 0.000 0.289 506 Y C 2.378 178.280 175.900 0.003 0.000 1.146 506 Y CA 0.716 58.818 58.100 0.003 0.000 1.182 506 Y CB -0.902 37.559 38.460 0.002 0.000 0.983 506 Y HN 0.147 nan 8.280 nan 0.000 0.524 507 A N 0.478 123.387 122.820 0.148 0.000 1.859 507 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 507 A C 2.539 180.161 177.584 0.062 0.000 1.209 507 A CA 2.754 54.842 52.037 0.083 0.000 0.639 507 A CB -1.484 17.549 19.000 0.055 0.000 0.835 507 A HN 0.415 nan 8.150 nan 0.000 0.450 508 A N -1.394 121.451 122.820 0.042 0.000 1.978 508 A HA -0.125 4.195 4.320 -0.000 0.000 0.220 508 A C 2.472 180.075 177.584 0.032 0.000 1.170 508 A CA 2.391 54.443 52.037 0.025 0.000 0.636 508 A CB -0.942 18.062 19.000 0.006 0.000 0.810 508 A HN 0.581 nan 8.150 nan 0.000 0.448 509 S N -1.210 114.519 115.700 0.048 0.000 2.345 509 S HA -0.117 4.353 4.470 -0.000 0.000 0.220 509 S C 1.969 176.607 174.600 0.063 0.000 1.031 509 S CA 1.513 59.749 58.200 0.060 0.000 0.996 509 S CB -0.475 62.789 63.200 0.106 0.000 0.882 509 S HN 0.468 nan 8.310 nan 0.000 0.445 510 V N 1.682 121.642 119.914 0.076 0.000 2.358 510 V HA -0.013 4.107 4.120 -0.000 0.000 0.246 510 V C 2.544 178.661 176.094 0.039 0.000 1.047 510 V CA 1.996 64.329 62.300 0.055 0.000 1.035 510 V CB -1.021 30.833 31.823 0.052 0.000 0.658 510 V HN 0.552 nan 8.190 nan 0.000 0.452 511 A N 0.153 122.995 122.820 0.037 0.000 1.865 511 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 511 A C 2.408 180.007 177.584 0.025 0.000 1.191 511 A CA 2.132 54.186 52.037 0.028 0.000 0.623 511 A CB -1.632 17.383 19.000 0.026 0.000 0.826 511 A HN 0.672 nan 8.150 nan 0.000 0.444 512 G N -0.032 108.783 108.800 0.025 0.000 2.529 512 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.219 512 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.219 512 G C 1.572 176.485 174.900 0.022 0.000 1.177 512 G CA 1.260 46.372 45.100 0.021 0.000 0.773 512 G HN 0.451 nan 8.290 nan 0.000 0.573 513 L N -0.377 120.861 121.223 0.025 0.000 2.042 513 L HA -0.106 4.234 4.340 -0.000 0.000 0.210 513 L C 3.128 180.011 176.870 0.022 0.000 1.076 513 L CA 1.262 56.116 54.840 0.024 0.000 0.749 513 L CB -0.325 41.749 42.059 0.026 0.000 0.893 513 L HN 0.242 nan 8.230 nan 0.000 0.432 514 M N -0.770 118.844 119.600 0.023 0.000 2.159 514 M HA -0.219 4.261 4.480 -0.000 0.000 0.263 514 M C 2.287 178.599 176.300 0.020 0.000 1.063 514 M CA 1.801 57.114 55.300 0.022 0.000 1.110 514 M CB -0.241 32.372 32.600 0.022 0.000 1.374 514 M HN 0.214 nan 8.290 nan 0.000 0.411 515 I N -0.252 120.329 120.570 0.019 0.000 2.252 515 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 515 I C 1.985 178.113 176.117 0.018 0.000 1.102 515 I CA 1.505 62.815 61.300 0.017 0.000 1.385 515 I CB -0.351 37.658 38.000 0.016 0.000 1.064 515 I HN 0.356 nan 8.210 nan 0.000 0.414 516 T N -2.205 112.360 114.554 0.019 0.000 3.317 516 T HA 0.081 4.431 4.350 -0.000 0.000 0.250 516 T C 0.617 175.330 174.700 0.022 0.000 1.106 516 T CA -0.139 61.973 62.100 0.020 0.000 0.986 516 T CB -0.922 67.957 68.868 0.019 0.000 1.010 516 T HN 0.055 nan 8.240 nan 0.000 0.560 517 T N 2.130 116.698 114.554 0.022 0.000 2.889 517 T HA 0.345 4.695 4.350 -0.000 0.000 0.291 517 T C 0.558 175.275 174.700 0.029 0.000 0.995 517 T CA -0.628 61.486 62.100 0.023 0.000 1.092 517 T CB 1.559 70.439 68.868 0.021 0.000 0.954 517 T HN 0.097 nan 8.240 nan 0.000 0.506 518 E N -0.123 120.098 120.200 0.036 0.000 2.676 518 E HA 0.232 4.582 4.350 -0.000 0.000 0.225 518 E C -0.424 176.216 176.600 0.067 0.000 0.944 518 E CA -0.034 56.404 56.400 0.062 0.000 1.156 518 E CB 0.905 30.653 29.700 0.081 0.000 1.117 518 E HN 0.598 nan 8.360 nan 0.000 0.523 519 C N 0.229 119.526 119.300 -0.004 0.000 3.284 519 C HA 0.652 5.112 4.460 -0.000 0.000 0.338 519 C C -1.726 173.203 174.990 -0.101 0.000 1.237 519 C CA -0.497 58.441 59.018 -0.133 0.000 1.276 519 C CB 0.955 28.577 27.740 -0.196 0.000 1.601 519 C HN 0.165 nan 8.230 nan 0.000 0.494 520 M N 4.388 123.910 119.600 -0.130 0.000 2.224 520 M HA 0.497 4.977 4.480 -0.000 0.000 0.281 520 M C -1.098 175.298 176.300 0.160 0.000 1.025 520 M CA -0.432 54.914 55.300 0.076 0.000 0.954 520 M CB 2.006 34.765 32.600 0.264 0.000 1.639 520 M HN 0.429 nan 8.290 nan 0.000 0.461 521 V N 1.324 121.274 119.914 0.059 0.000 2.547 521 V HA 0.823 4.943 4.120 -0.000 0.000 0.299 521 V C -0.086 175.944 176.094 -0.105 0.000 1.040 521 V CA -0.427 61.880 62.300 0.011 0.000 0.913 521 V CB 1.861 33.668 31.823 -0.027 0.000 0.992 521 V HN 0.914 nan 8.190 nan 0.000 0.449 522 T N 1.288 115.735 114.554 -0.178 0.000 2.816 522 T HA 0.306 4.656 4.350 -0.000 0.000 0.299 522 T C -1.364 173.233 174.700 -0.172 0.000 1.230 522 T CA -0.604 61.322 62.100 -0.289 0.000 1.007 522 T CB 1.906 70.381 68.868 -0.655 0.000 1.289 522 T HN 0.730 nan 8.240 nan 0.000 0.508 523 D N 1.606 121.915 120.400 -0.151 0.000 2.362 523 D HA 0.273 4.913 4.640 -0.000 0.000 0.242 523 D C 0.014 176.260 176.300 -0.090 0.000 1.132 523 D CA -0.118 53.826 54.000 -0.094 0.000 0.907 523 D CB 0.908 41.663 40.800 -0.075 0.000 1.195 523 D HN 0.252 nan 8.370 nan 0.000 0.429 524 L N 3.171 124.367 121.223 -0.045 0.000 2.439 524 L HA 0.186 4.526 4.340 -0.000 0.000 0.269 524 L C -1.451 175.402 176.870 -0.028 0.000 1.179 524 L CA -0.738 54.088 54.840 -0.024 0.000 0.828 524 L CB -0.208 41.849 42.059 -0.004 0.000 1.106 524 L HN 0.314 nan 8.230 nan 0.000 0.467 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.090 63.100 -0.016 0.000 0.800 525 P CB 0.000 31.697 31.700 -0.005 0.000 0.726