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 1mnf_1_N DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.581 177.584 -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 -0.013 0.000 0.831 3 A N 0.888 123.707 122.820 -0.002 0.000 2.531 3 A HA 0.525 4.845 4.320 0.000 0.000 0.236 3 A C 0.206 177.790 177.584 0.000 0.000 1.062 3 A CA 0.397 52.436 52.037 0.004 0.000 0.760 3 A CB -0.119 18.887 19.000 0.009 0.000 0.995 3 A HN 0.603 nan 8.150 nan 0.000 0.501 4 K N 1.148 121.552 120.400 0.007 0.000 2.185 4 K HA 0.442 4.762 4.320 0.000 0.000 0.240 4 K C -1.189 175.431 176.600 0.033 0.000 0.983 4 K CA -0.699 55.591 56.287 0.004 0.000 0.873 4 K CB 1.463 33.963 32.500 0.000 0.000 1.118 4 K HN 0.714 nan 8.250 nan 0.000 0.441 5 D N 1.052 121.484 120.400 0.053 0.000 2.381 5 D HA 0.285 4.925 4.640 0.000 0.000 0.235 5 D C -1.264 175.169 176.300 0.221 0.000 1.068 5 D CA -0.579 53.509 54.000 0.146 0.000 0.832 5 D CB 1.096 42.021 40.800 0.208 0.000 1.101 5 D HN 0.053 nan 8.370 nan 0.000 0.515 6 V N 4.939 124.922 119.914 0.114 0.000 2.384 6 V HA 0.403 4.524 4.120 0.000 0.000 0.287 6 V C 0.424 176.402 176.094 -0.193 0.000 1.020 6 V CA -0.724 61.556 62.300 -0.033 0.000 0.850 6 V CB 1.463 33.221 31.823 -0.109 0.000 0.987 6 V HN 0.368 nan 8.190 nan 0.000 0.436 7 K N 3.607 123.790 120.400 -0.362 0.000 2.208 7 K HA 0.745 5.065 4.320 0.000 0.000 0.247 7 K C -1.404 174.850 176.600 -0.576 0.000 0.953 7 K CA -0.500 55.505 56.287 -0.470 0.000 0.837 7 K CB 2.248 34.264 32.500 -0.807 0.000 1.131 7 K HN 0.422 nan 8.250 nan 0.000 0.431 8 F N -0.810 119.074 119.950 -0.110 0.000 2.631 8 F HA 0.321 4.848 4.527 0.000 0.000 0.328 8 F C 1.433 177.195 175.800 -0.063 0.000 1.067 8 F CA -0.006 57.957 58.000 -0.061 0.000 0.969 8 F CB 1.070 40.046 39.000 -0.040 0.000 1.332 8 F HN 0.808 nan 8.300 nan 0.000 0.490 9 G N 1.331 110.258 108.800 0.212 0.000 2.699 9 G HA2 -0.486 3.474 3.960 0.000 0.000 0.408 9 G HA3 -0.486 3.474 3.960 0.000 0.000 0.408 9 G C 1.451 176.374 174.900 0.038 0.000 1.112 9 G CA 1.303 46.461 45.100 0.096 0.000 0.885 9 G HN 0.780 nan 8.290 nan 0.000 0.690 10 N N 0.854 119.568 118.700 0.024 0.000 2.104 10 N HA -0.146 4.594 4.740 0.000 0.000 0.190 10 N C 1.784 177.281 175.510 -0.021 0.000 1.024 10 N CA 2.187 55.238 53.050 0.002 0.000 0.853 10 N CB -0.390 38.097 38.487 0.000 0.000 1.008 10 N HN 0.520 nan 8.380 nan 0.000 0.424 11 D N 0.746 121.127 120.400 -0.033 0.000 2.104 11 D HA -0.110 4.530 4.640 0.000 0.000 0.194 11 D C 1.869 178.086 176.300 -0.138 0.000 0.994 11 D CA 1.285 55.234 54.000 -0.085 0.000 0.830 11 D CB -0.508 40.228 40.800 -0.105 0.000 0.959 11 D HN 0.405 nan 8.370 nan 0.000 0.452 12 A N 1.097 123.834 122.820 -0.139 0.000 1.902 12 A HA -0.203 4.117 4.320 0.000 0.000 0.217 12 A C 2.215 179.763 177.584 -0.060 0.000 1.181 12 A CA 1.379 53.325 52.037 -0.151 0.000 0.623 12 A CB -0.437 18.497 19.000 -0.109 0.000 0.818 12 A HN 0.121 nan 8.150 nan 0.000 0.443 13 R N -0.445 120.037 120.500 -0.030 0.000 2.073 13 R HA -0.128 4.213 4.340 0.000 0.000 0.234 13 R C 2.248 178.544 176.300 -0.007 0.000 1.134 13 R CA 1.784 57.880 56.100 -0.008 0.000 0.952 13 R CB -0.846 29.454 30.300 0.000 0.000 0.850 13 R HN 0.607 nan 8.270 nan 0.000 0.433 14 V N 0.008 119.912 119.914 -0.017 0.000 2.392 14 V HA -0.215 3.906 4.120 0.000 0.000 0.249 14 V C 1.961 178.052 176.094 -0.004 0.000 1.059 14 V CA 1.548 63.841 62.300 -0.011 0.000 1.051 14 V CB -0.423 31.390 31.823 -0.017 0.000 0.658 14 V HN 0.113 nan 8.190 nan 0.000 0.455 15 K N 0.138 120.531 120.400 -0.012 0.000 2.002 15 K HA -0.044 4.276 4.320 0.000 0.000 0.209 15 K C 2.279 178.908 176.600 0.049 0.000 1.048 15 K CA 2.226 58.528 56.287 0.025 0.000 0.930 15 K CB -0.593 31.927 32.500 0.033 0.000 0.714 15 K HN 0.549 nan 8.250 nan 0.000 0.438 16 M N 0.393 120.020 119.600 0.044 0.000 2.080 16 M HA -0.198 4.282 4.480 0.000 0.000 0.260 16 M C 2.303 178.620 176.300 0.028 0.000 1.068 16 M CA 1.183 56.509 55.300 0.043 0.000 1.109 16 M CB -0.472 32.150 32.600 0.037 0.000 1.342 16 M HN 0.040 nan 8.290 nan 0.000 0.405 17 L N 0.732 121.966 121.223 0.019 0.000 1.990 17 L HA -0.241 4.099 4.340 0.000 0.000 0.213 17 L C 2.449 179.328 176.870 0.015 0.000 1.072 17 L CA 2.006 56.854 54.840 0.014 0.000 0.755 17 L CB -0.569 41.496 42.059 0.009 0.000 0.889 17 L HN 0.169 nan 8.230 nan 0.000 0.432 18 R N -0.666 119.844 120.500 0.016 0.000 2.091 18 R HA -0.138 4.202 4.340 0.000 0.000 0.238 18 R C 2.221 178.532 176.300 0.017 0.000 1.136 18 R CA 1.242 57.351 56.100 0.016 0.000 0.959 18 R CB -1.075 29.236 30.300 0.019 0.000 0.856 18 R HN 0.624 nan 8.270 nan 0.000 0.437 19 G N 0.755 109.570 108.800 0.024 0.000 2.433 19 G HA2 -0.258 3.702 3.960 0.000 0.000 0.216 19 G HA3 -0.258 3.702 3.960 0.000 0.000 0.216 19 G C 1.483 176.391 174.900 0.013 0.000 1.186 19 G CA 1.121 46.233 45.100 0.021 0.000 0.779 19 G HN 0.339 nan 8.290 nan 0.000 0.543 20 V N -0.242 119.680 119.914 0.014 0.000 2.626 20 V HA -0.076 4.044 4.120 0.000 0.000 0.252 20 V C 2.162 178.260 176.094 0.007 0.000 1.067 20 V CA 2.113 64.419 62.300 0.009 0.000 1.081 20 V CB -0.516 31.314 31.823 0.011 0.000 0.686 20 V HN 0.208 nan 8.190 nan 0.000 0.468 21 N N 0.951 119.656 118.700 0.008 0.000 2.188 21 N HA -0.081 4.659 4.740 0.000 0.000 0.184 21 N C 1.819 177.331 175.510 0.004 0.000 1.018 21 N CA 1.778 54.832 53.050 0.006 0.000 0.858 21 N CB -0.372 38.119 38.487 0.006 0.000 0.989 21 N HN 0.513 nan 8.380 nan 0.000 0.426 22 V N 1.597 121.513 119.914 0.004 0.000 2.307 22 V HA -0.178 3.942 4.120 0.000 0.000 0.245 22 V C 2.386 178.479 176.094 -0.001 0.000 1.045 22 V CA 1.030 63.330 62.300 0.001 0.000 1.024 22 V CB -0.552 31.272 31.823 0.001 0.000 0.651 22 V HN 0.183 nan 8.190 nan 0.000 0.449 23 L N 1.106 122.328 121.223 -0.001 0.000 1.955 23 L HA -0.105 4.235 4.340 0.000 0.000 0.213 23 L C 2.498 179.366 176.870 -0.003 0.000 1.072 23 L CA 2.648 57.486 54.840 -0.004 0.000 0.755 23 L CB -1.225 40.831 42.059 -0.004 0.000 0.888 23 L HN 0.205 nan 8.230 nan 0.000 0.432 24 A N -0.676 122.144 122.820 -0.001 0.000 1.892 24 A HA -0.274 4.046 4.320 0.000 0.000 0.218 24 A C 2.017 179.601 177.584 -0.001 0.000 1.188 24 A CA 2.129 54.166 52.037 0.000 0.000 0.631 24 A CB -1.166 17.836 19.000 0.003 0.000 0.822 24 A HN 0.632 nan 8.150 nan 0.000 0.447 25 D N -0.123 120.277 120.400 -0.000 0.000 2.149 25 D HA -0.068 4.572 4.640 0.000 0.000 0.198 25 D C 2.154 178.452 176.300 -0.002 0.000 0.990 25 D CA 1.531 55.530 54.000 -0.001 0.000 0.839 25 D CB -0.379 40.421 40.800 -0.000 0.000 0.948 25 D HN 0.465 nan 8.370 nan 0.000 0.460 26 A N 0.195 123.013 122.820 -0.004 0.000 1.929 26 A HA -0.065 4.256 4.320 0.000 0.000 0.216 26 A C 2.477 180.058 177.584 -0.006 0.000 1.176 26 A CA 0.860 52.894 52.037 -0.005 0.000 0.628 26 A CB -0.472 18.524 19.000 -0.007 0.000 0.816 26 A HN 0.145 nan 8.150 nan 0.000 0.444 27 V N 1.206 121.116 119.914 -0.006 0.000 2.346 27 V HA -0.206 3.914 4.120 0.000 0.000 0.244 27 V C 2.481 178.572 176.094 -0.004 0.000 1.037 27 V CA 2.093 64.389 62.300 -0.006 0.000 1.029 27 V CB -0.585 31.233 31.823 -0.007 0.000 0.663 27 V HN 0.836 nan 8.190 nan 0.000 0.454 28 K N 1.461 121.860 120.400 -0.002 0.000 2.442 28 K HA -0.105 4.215 4.320 0.000 0.000 0.198 28 K C 1.707 178.306 176.600 -0.001 0.000 1.044 28 K CA 1.682 57.968 56.287 -0.001 0.000 0.948 28 K CB -0.613 31.887 32.500 0.000 0.000 0.762 28 K HN 0.499 nan 8.250 nan 0.000 0.472 29 V N -0.391 119.522 119.914 -0.002 0.000 3.141 29 V HA -0.127 3.993 4.120 0.000 0.000 0.265 29 V C 2.131 178.225 176.094 -0.001 0.000 1.126 29 V CA 1.630 63.929 62.300 -0.001 0.000 1.141 29 V CB -0.953 30.869 31.823 -0.002 0.000 0.743 29 V HN 0.547 nan 8.190 nan 0.000 0.492 30 T N -2.444 112.108 114.554 -0.002 0.000 3.057 30 T HA 0.235 4.586 4.350 0.000 0.000 0.254 30 T C 0.646 175.345 174.700 -0.002 0.000 1.094 30 T CA -0.110 61.988 62.100 -0.003 0.000 1.088 30 T CB -0.235 68.630 68.868 -0.004 0.000 0.934 30 T HN 0.337 nan 8.240 nan 0.000 0.497 31 L N 2.758 123.980 121.223 -0.001 0.000 2.540 31 L HA 0.471 4.811 4.340 0.000 0.000 0.276 31 L C 0.923 177.794 176.870 0.002 0.000 1.212 31 L CA 1.741 56.582 54.840 0.001 0.000 0.893 31 L CB -0.677 41.383 42.059 0.002 0.000 1.138 31 L HN 0.761 nan 8.230 nan 0.000 0.491 32 G N 4.251 113.051 108.800 0.001 0.000 2.746 32 G HA2 -0.140 3.820 3.960 0.000 0.000 0.685 32 G HA3 -0.140 3.820 3.960 0.000 0.000 0.685 32 G C -1.913 172.984 174.900 -0.005 0.000 1.350 32 G CA -0.316 44.784 45.100 0.000 0.000 0.837 32 G HN 0.600 nan 8.290 nan 0.000 0.564 33 P HA 0.009 nan 4.420 nan 0.000 0.225 33 P C 0.828 178.120 177.300 -0.012 0.000 1.148 33 P CA 1.097 64.187 63.100 -0.018 0.000 0.779 33 P CB 0.160 31.840 31.700 -0.034 0.000 0.780 34 K N 0.286 120.683 120.400 -0.005 0.000 2.498 34 K HA 0.258 4.579 4.320 0.000 0.000 0.207 34 K C 1.070 177.671 176.600 0.001 0.000 1.033 34 K CA -0.242 56.045 56.287 -0.001 0.000 1.138 34 K CB 0.236 32.740 32.500 0.006 0.000 0.860 34 K HN 0.048 nan 8.250 nan 0.000 0.490 35 G N 1.634 110.433 108.800 -0.001 0.000 2.484 35 G HA2 0.018 3.978 3.960 0.000 0.000 0.235 35 G HA3 0.018 3.978 3.960 0.000 0.000 0.235 35 G C 0.152 175.052 174.900 -0.001 0.000 1.282 35 G CA -0.309 44.791 45.100 -0.001 0.000 0.857 35 G HN 0.079 nan 8.290 nan 0.000 0.571 36 R N 0.761 121.260 120.500 -0.001 0.000 2.553 36 R HA 0.227 4.567 4.340 0.000 0.000 0.263 36 R C 0.032 176.330 176.300 -0.003 0.000 1.066 36 R CA -0.795 55.304 56.100 -0.002 0.000 1.135 36 R CB 0.500 30.799 30.300 -0.001 0.000 1.148 36 R HN 0.646 nan 8.270 nan 0.000 0.558 37 N N -0.822 117.876 118.700 -0.003 0.000 2.524 37 N HA 0.287 5.028 4.740 0.000 0.000 0.283 37 N C -0.936 174.572 175.510 -0.004 0.000 1.142 37 N CA -0.367 52.680 53.050 -0.004 0.000 0.984 37 N CB 1.295 39.781 38.487 -0.003 0.000 1.155 37 N HN 0.079 nan 8.380 nan 0.000 0.467 38 V N 2.165 122.076 119.914 -0.005 0.000 2.540 38 V HA 0.323 4.443 4.120 0.000 0.000 0.302 38 V C -0.443 175.647 176.094 -0.007 0.000 1.035 38 V CA -0.775 61.521 62.300 -0.006 0.000 0.873 38 V CB 1.836 33.655 31.823 -0.007 0.000 0.992 38 V HN 0.330 nan 8.190 nan 0.000 0.428 39 V N 6.619 126.528 119.914 -0.008 0.000 2.350 39 V HA 0.437 4.557 4.120 0.000 0.000 0.276 39 V C -0.147 175.940 176.094 -0.012 0.000 1.028 39 V CA -0.385 61.910 62.300 -0.009 0.000 0.860 39 V CB 1.183 33.001 31.823 -0.008 0.000 0.990 39 V HN 0.596 nan 8.190 nan 0.000 0.453 40 L N 3.917 125.133 121.223 -0.012 0.000 2.287 40 L HA 0.519 4.859 4.340 0.000 0.000 0.287 40 L C 0.037 176.896 176.870 -0.019 0.000 1.022 40 L CA -0.521 54.309 54.840 -0.016 0.000 0.814 40 L CB 1.565 43.615 42.059 -0.015 0.000 1.217 40 L HN 0.525 nan 8.230 nan 0.000 0.420 41 D N 3.095 123.480 120.400 -0.025 0.000 2.360 41 D HA 0.278 4.918 4.640 0.000 0.000 0.242 41 D C -0.525 175.751 176.300 -0.040 0.000 1.184 41 D CA 0.211 54.191 54.000 -0.033 0.000 0.930 41 D CB 0.951 41.726 40.800 -0.042 0.000 1.161 41 D HN 0.343 nan 8.370 nan 0.000 0.447 42 K N -0.210 120.161 120.400 -0.049 0.000 2.435 42 K HA 0.233 4.554 4.320 0.000 0.000 0.251 42 K C 0.966 177.491 176.600 -0.125 0.000 0.954 42 K CA -0.580 55.673 56.287 -0.056 0.000 0.820 42 K CB 1.819 34.310 32.500 -0.015 0.000 1.292 42 K HN 0.412 nan 8.250 nan 0.000 0.436 43 S N 0.898 116.486 115.700 -0.186 0.000 2.382 43 S HA -0.046 4.425 4.470 0.000 0.000 0.228 43 S C 0.346 174.504 174.600 -0.736 0.000 1.027 43 S CA 0.870 58.791 58.200 -0.465 0.000 0.991 43 S CB -0.222 62.693 63.200 -0.475 0.000 0.823 43 S HN 0.403 nan 8.310 nan 0.000 0.469 44 F N 1.147 121.095 119.950 -0.004 0.000 2.562 44 F HA 0.695 5.222 4.527 0.000 0.000 0.319 44 F C 0.793 176.591 175.800 -0.003 0.000 1.154 44 F CA -0.011 57.987 58.000 -0.003 0.000 0.931 44 F CB 1.777 40.776 39.000 -0.003 0.000 1.198 44 F HN 0.466 nan 8.300 nan 0.000 0.444 45 G N 1.341 110.244 108.800 0.171 0.000 2.337 45 G HA2 0.435 4.395 3.960 0.000 0.000 0.197 45 G HA3 0.435 4.395 3.960 0.000 0.000 0.197 45 G C -1.627 173.303 174.900 0.051 0.000 1.238 45 G CA -0.394 44.764 45.100 0.097 0.000 1.119 45 G HN 1.065 nan 8.290 nan 0.000 0.514 46 A N 0.627 123.468 122.820 0.035 0.000 2.312 46 A HA 0.887 5.207 4.320 0.000 0.000 0.328 46 A C -1.943 175.647 177.584 0.011 0.000 1.158 46 A CA -0.885 51.163 52.037 0.019 0.000 0.821 46 A CB 0.481 19.491 19.000 0.017 0.000 1.170 46 A HN 0.641 nan 8.150 nan 0.000 0.490 47 P HA 0.172 nan 4.420 nan 0.000 0.269 47 P C -0.234 177.065 177.300 -0.001 0.000 1.211 47 P CA 0.265 63.363 63.100 -0.004 0.000 0.781 47 P CB 0.335 32.031 31.700 -0.007 0.000 0.877 48 T N 2.222 116.773 114.554 -0.004 0.000 2.799 48 T HA 0.468 4.818 4.350 0.000 0.000 0.286 48 T C 0.251 174.949 174.700 -0.004 0.000 0.973 48 T CA -0.205 61.894 62.100 -0.002 0.000 1.035 48 T CB 0.004 68.870 68.868 -0.003 0.000 0.932 48 T HN 0.177 nan 8.240 nan 0.000 0.469 49 I N 3.094 123.662 120.570 -0.002 0.000 2.328 49 I HA 0.428 4.598 4.170 0.000 0.000 0.287 49 I C 0.413 176.528 176.117 -0.003 0.000 1.012 49 I CA -0.393 60.906 61.300 -0.003 0.000 1.195 49 I CB 1.528 39.526 38.000 -0.002 0.000 1.350 49 I HN 0.509 nan 8.210 nan 0.000 0.464 50 T N 4.641 119.192 114.554 -0.004 0.000 2.903 50 T HA 0.410 4.760 4.350 0.000 0.000 0.299 50 T C -0.032 174.665 174.700 -0.005 0.000 1.093 50 T CA -0.588 61.510 62.100 -0.004 0.000 1.002 50 T CB 1.703 70.568 68.868 -0.005 0.000 1.127 50 T HN 0.622 nan 8.240 nan 0.000 0.488 51 K N 1.641 122.038 120.400 -0.005 0.000 2.478 51 K HA 0.194 4.514 4.320 0.000 0.000 0.205 51 K C -0.685 175.912 176.600 -0.006 0.000 1.033 51 K CA -0.252 56.032 56.287 -0.005 0.000 1.091 51 K CB 0.491 32.988 32.500 -0.004 0.000 0.844 51 K HN 0.443 nan 8.250 nan 0.000 0.507 52 D N 0.327 120.723 120.400 -0.006 0.000 2.441 52 D HA 0.108 4.748 4.640 0.000 0.000 0.221 52 D C 1.264 177.558 176.300 -0.010 0.000 1.156 52 D CA -0.171 53.824 54.000 -0.008 0.000 0.896 52 D CB 1.020 41.815 40.800 -0.008 0.000 1.028 52 D HN 0.222 nan 8.370 nan 0.000 0.509 53 G N 2.377 111.171 108.800 -0.010 0.000 2.503 53 G HA2 -0.281 3.679 3.960 0.000 0.000 0.221 53 G HA3 -0.281 3.679 3.960 0.000 0.000 0.221 53 G C 1.531 176.421 174.900 -0.016 0.000 1.131 53 G CA 0.933 46.026 45.100 -0.012 0.000 0.756 53 G HN 0.482 nan 8.290 nan 0.000 0.572 54 V N 0.853 120.755 119.914 -0.019 0.000 2.343 54 V HA -0.186 3.934 4.120 0.000 0.000 0.247 54 V C 3.097 179.178 176.094 -0.022 0.000 1.051 54 V CA 2.234 64.519 62.300 -0.024 0.000 1.036 54 V CB -0.572 31.234 31.823 -0.029 0.000 0.654 54 V HN 0.391 nan 8.190 nan 0.000 0.451 55 S N -0.074 115.615 115.700 -0.018 0.000 2.370 55 S HA -0.176 4.294 4.470 0.000 0.000 0.226 55 S C 2.010 176.599 174.600 -0.017 0.000 1.033 55 S CA 1.580 59.770 58.200 -0.016 0.000 1.011 55 S CB -0.259 62.933 63.200 -0.013 0.000 0.852 55 S HN 0.399 nan 8.310 nan 0.000 0.457 56 V N 2.079 121.984 119.914 -0.016 0.000 2.295 56 V HA -0.199 3.921 4.120 0.000 0.000 0.246 56 V C 2.688 178.772 176.094 -0.017 0.000 1.049 56 V CA 1.668 63.959 62.300 -0.015 0.000 1.024 56 V CB -1.324 30.491 31.823 -0.013 0.000 0.648 56 V HN 0.542 nan 8.190 nan 0.000 0.447 57 A N -0.173 122.636 122.820 -0.019 0.000 1.917 57 A HA -0.301 4.019 4.320 0.000 0.000 0.219 57 A C 2.426 179.996 177.584 -0.024 0.000 1.182 57 A CA 2.230 54.254 52.037 -0.021 0.000 0.633 57 A CB -0.652 18.333 19.000 -0.024 0.000 0.819 57 A HN 0.464 nan 8.150 nan 0.000 0.448 58 R N -0.592 119.893 120.500 -0.025 0.000 2.120 58 R HA -0.127 4.213 4.340 0.000 0.000 0.234 58 R C 1.318 177.602 176.300 -0.026 0.000 1.123 58 R CA 1.467 57.550 56.100 -0.027 0.000 0.975 58 R CB -0.094 30.189 30.300 -0.027 0.000 0.866 58 R HN 0.470 nan 8.270 nan 0.000 0.446 59 E N 0.213 120.399 120.200 -0.023 0.000 2.435 59 E HA -0.008 4.342 4.350 0.000 0.000 0.195 59 E C 0.222 176.808 176.600 -0.023 0.000 1.029 59 E CA 0.188 56.574 56.400 -0.024 0.000 0.865 59 E CB 0.217 29.904 29.700 -0.022 0.000 0.833 59 E HN 0.227 nan 8.360 nan 0.000 0.510 60 I N 2.051 122.608 120.570 -0.021 0.000 2.436 60 I HA 0.136 4.306 4.170 0.000 0.000 0.289 60 I C 0.346 176.451 176.117 -0.021 0.000 1.083 60 I CA 0.204 61.493 61.300 -0.019 0.000 1.372 60 I CB 0.070 38.061 38.000 -0.016 0.000 1.408 60 I HN -0.068 nan 8.210 nan 0.000 0.516 61 E N 7.067 127.255 120.200 -0.021 0.000 2.291 61 E HA 0.472 4.823 4.350 0.000 0.000 0.276 61 E C -1.603 174.985 176.600 -0.020 0.000 0.896 61 E CA -0.586 55.800 56.400 -0.023 0.000 0.774 61 E CB 1.993 31.677 29.700 -0.027 0.000 1.227 61 E HN 0.440 nan 8.360 nan 0.000 0.413 62 L N 3.357 124.569 121.223 -0.018 0.000 2.360 62 L HA 0.359 4.699 4.340 0.000 0.000 0.271 62 L C 1.539 178.399 176.870 -0.017 0.000 1.057 62 L CA -0.364 54.468 54.840 -0.013 0.000 0.803 62 L CB 1.418 43.474 42.059 -0.004 0.000 1.207 62 L HN 0.752 nan 8.230 nan 0.000 0.445 63 E N 0.816 121.009 120.200 -0.012 0.000 2.072 63 E HA -0.172 4.178 4.350 0.000 0.000 0.190 63 E C 0.519 177.112 176.600 -0.012 0.000 0.982 63 E CA 0.556 56.947 56.400 -0.014 0.000 0.803 63 E CB 0.269 29.965 29.700 -0.008 0.000 0.755 63 E HN 0.644 nan 8.360 nan 0.000 0.453 64 D N 0.694 121.097 120.400 0.006 0.000 2.358 64 D HA -0.048 4.592 4.640 0.000 0.000 0.258 64 D C 0.627 176.922 176.300 -0.009 0.000 1.223 64 D CA 0.038 54.054 54.000 0.026 0.000 0.886 64 D CB 0.951 41.792 40.800 0.069 0.000 1.120 64 D HN 0.066 nan 8.370 nan 0.000 0.482 65 K N 3.484 123.832 120.400 -0.087 0.000 2.113 65 K HA -0.178 4.142 4.320 0.000 0.000 0.208 65 K C 1.881 178.323 176.600 -0.264 0.000 1.047 65 K CA 1.195 57.347 56.287 -0.225 0.000 0.928 65 K CB -0.266 32.008 32.500 -0.376 0.000 0.716 65 K HN 0.479 nan 8.250 nan 0.000 0.446 66 F N 1.792 121.727 119.950 -0.025 0.000 2.128 66 F HA -0.071 4.456 4.527 0.000 0.000 0.295 66 F C 2.422 178.209 175.800 -0.022 0.000 1.100 66 F CA 1.093 59.075 58.000 -0.029 0.000 1.260 66 F CB -0.463 38.519 39.000 -0.031 0.000 1.009 66 F HN 0.092 nan 8.300 nan 0.000 0.476 67 E N -0.101 120.195 120.200 0.161 0.000 2.110 67 E HA -0.248 4.102 4.350 0.000 0.000 0.193 67 E C 1.812 178.436 176.600 0.039 0.000 0.988 67 E CA 1.255 57.705 56.400 0.085 0.000 0.804 67 E CB -0.327 29.411 29.700 0.063 0.000 0.745 67 E HN 0.311 nan 8.360 nan 0.000 0.458 68 N N 0.611 119.318 118.700 0.011 0.000 2.142 68 N HA -0.127 4.613 4.740 0.000 0.000 0.186 68 N C 1.731 177.230 175.510 -0.017 0.000 1.023 68 N CA 1.158 54.199 53.050 -0.015 0.000 0.852 68 N CB 0.014 38.476 38.487 -0.041 0.000 0.998 68 N HN 0.050 nan 8.380 nan 0.000 0.424 69 M N -0.649 118.938 119.600 -0.022 0.000 2.149 69 M HA -0.046 4.435 4.480 0.000 0.000 0.261 69 M C 2.090 178.395 176.300 0.008 0.000 1.064 69 M CA 1.624 56.914 55.300 -0.016 0.000 1.102 69 M CB -0.487 32.102 32.600 -0.018 0.000 1.369 69 M HN 0.311 nan 8.290 nan 0.000 0.408 70 G N -0.124 108.692 108.800 0.027 0.000 2.433 70 G HA2 -0.183 3.778 3.960 0.000 0.000 0.216 70 G HA3 -0.183 3.778 3.960 0.000 0.000 0.216 70 G C 1.617 176.524 174.900 0.013 0.000 1.186 70 G CA 1.016 46.132 45.100 0.027 0.000 0.779 70 G HN 0.545 nan 8.290 nan 0.000 0.543 71 A N -0.009 122.815 122.820 0.008 0.000 1.877 71 A HA -0.090 4.230 4.320 0.000 0.000 0.216 71 A C 2.408 179.988 177.584 -0.007 0.000 1.186 71 A CA 2.071 54.108 52.037 -0.000 0.000 0.620 71 A CB -0.412 18.586 19.000 -0.004 0.000 0.822 71 A HN 0.315 nan 8.150 nan 0.000 0.443 72 Q N -0.560 119.234 119.800 -0.011 0.000 2.170 72 Q HA -0.118 4.222 4.340 0.000 0.000 0.203 72 Q C 2.114 178.106 176.000 -0.013 0.000 0.976 72 Q CA 1.541 57.334 55.803 -0.017 0.000 0.858 72 Q CB -0.560 28.165 28.738 -0.023 0.000 0.907 72 Q HN 0.799 nan 8.270 nan 0.000 0.433 73 M N -0.294 119.303 119.600 -0.005 0.000 2.077 73 M HA -0.124 4.356 4.480 0.000 0.000 0.261 73 M C 2.300 178.601 176.300 0.001 0.000 1.070 73 M CA 1.493 56.794 55.300 0.000 0.000 1.125 73 M CB -0.523 32.083 32.600 0.009 0.000 1.339 73 M HN 0.165 nan 8.290 nan 0.000 0.409 74 V N -0.196 119.721 119.914 0.004 0.000 2.548 74 V HA -0.205 3.915 4.120 0.000 0.000 0.249 74 V C 2.107 178.195 176.094 -0.010 0.000 1.055 74 V CA 1.883 64.186 62.300 0.005 0.000 1.065 74 V CB -0.646 31.183 31.823 0.010 0.000 0.681 74 V HN 0.465 nan 8.190 nan 0.000 0.462 75 K N -0.530 119.861 120.400 -0.015 0.000 2.063 75 K HA -0.217 4.103 4.320 0.000 0.000 0.208 75 K C 2.330 178.905 176.600 -0.041 0.000 1.048 75 K CA 1.944 58.215 56.287 -0.027 0.000 0.928 75 K CB -0.156 32.330 32.500 -0.024 0.000 0.713 75 K HN 0.558 nan 8.250 nan 0.000 0.442 76 E N 0.144 120.322 120.200 -0.038 0.000 2.015 76 E HA -0.149 4.202 4.350 0.000 0.000 0.191 76 E C 2.064 178.614 176.600 -0.083 0.000 0.991 76 E CA 1.636 58.005 56.400 -0.051 0.000 0.802 76 E CB -0.168 29.512 29.700 -0.033 0.000 0.759 76 E HN 0.314 nan 8.360 nan 0.000 0.447 77 V N -0.933 118.945 119.914 -0.059 0.000 2.667 77 V HA 0.010 4.130 4.120 0.000 0.000 0.252 77 V C 2.241 178.226 176.094 -0.182 0.000 1.065 77 V CA 1.631 63.877 62.300 -0.090 0.000 1.083 77 V CB -0.648 31.213 31.823 0.063 0.000 0.692 77 V HN 0.169 nan 8.190 nan 0.000 0.468 78 A N 1.805 124.568 122.820 -0.095 0.000 1.902 78 A HA -0.151 4.169 4.320 0.000 0.000 0.217 78 A C 2.622 180.109 177.584 -0.161 0.000 1.181 78 A CA 2.421 54.404 52.037 -0.089 0.000 0.623 78 A CB -1.064 17.912 19.000 -0.040 0.000 0.818 78 A HN 0.981 nan 8.150 nan 0.000 0.443 79 S N -0.025 115.582 115.700 -0.155 0.000 2.419 79 S HA -0.172 4.299 4.470 0.000 0.000 0.233 79 S C 1.778 176.231 174.600 -0.245 0.000 1.016 79 S CA 1.434 59.539 58.200 -0.157 0.000 0.974 79 S CB -0.417 62.714 63.200 -0.115 0.000 0.786 79 S HN 0.592 nan 8.310 nan 0.000 0.492 80 K N 1.411 121.575 120.400 -0.394 0.000 2.152 80 K HA -0.016 4.304 4.320 0.000 0.000 0.206 80 K C 2.490 178.701 176.600 -0.649 0.000 1.048 80 K CA 1.184 57.114 56.287 -0.594 0.000 0.933 80 K CB -0.566 31.338 32.500 -0.992 0.000 0.721 80 K HN 0.549 nan 8.250 nan 0.000 0.447 81 A N 1.826 124.290 122.820 -0.593 0.000 1.858 81 A HA -0.233 4.087 4.320 0.000 0.000 0.216 81 A C 1.923 179.446 177.584 -0.102 0.000 1.190 81 A CA 1.936 53.855 52.037 -0.197 0.000 0.617 81 A CB -0.769 18.215 19.000 -0.027 0.000 0.827 81 A HN 0.281 nan 8.150 nan 0.000 0.443 82 N N 0.102 118.730 118.700 -0.120 0.000 2.137 82 N HA -0.159 4.581 4.740 0.000 0.000 0.190 82 N C 1.159 176.599 175.510 -0.116 0.000 1.017 82 N CA 1.708 54.698 53.050 -0.100 0.000 0.859 82 N CB -0.199 38.228 38.487 -0.101 0.000 1.002 82 N HN 0.454 nan 8.380 nan 0.000 0.428 83 D N -0.424 119.898 120.400 -0.129 0.000 2.117 83 D HA -0.063 4.577 4.640 0.000 0.000 0.198 83 D C 1.729 177.986 176.300 -0.071 0.000 0.982 83 D CA 1.176 55.109 54.000 -0.112 0.000 0.828 83 D CB -0.428 40.303 40.800 -0.116 0.000 0.967 83 D HN 0.354 nan 8.370 nan 0.000 0.464 84 A N 0.237 123.035 122.820 -0.038 0.000 1.968 84 A HA 0.223 4.544 4.320 0.000 0.000 0.217 84 A C 1.920 179.520 177.584 0.027 0.000 1.169 84 A CA 1.749 53.805 52.037 0.031 0.000 0.638 84 A CB 0.038 19.120 19.000 0.136 0.000 0.812 84 A HN 0.225 nan 8.150 nan 0.000 0.446 85 A N -2.879 119.945 122.820 0.007 0.000 2.628 85 A HA 0.479 4.799 4.320 0.000 0.000 0.267 85 A C 1.477 179.049 177.584 -0.021 0.000 1.159 85 A CA 0.920 52.964 52.037 0.012 0.000 0.972 85 A CB -0.380 18.640 19.000 0.033 0.000 1.211 85 A HN 1.825 nan 8.150 nan 0.000 0.576 86 G N -0.481 108.268 108.800 -0.086 0.000 2.155 86 G HA2 -0.183 3.777 3.960 0.000 0.000 0.257 86 G HA3 -0.183 3.777 3.960 0.000 0.000 0.257 86 G C -0.144 174.703 174.900 -0.089 0.000 0.983 86 G CA 0.790 45.792 45.100 -0.162 0.000 0.676 86 G HN 0.929 nan 8.290 nan 0.000 0.528 87 D N -3.136 117.235 120.400 -0.049 0.000 2.755 87 D HA 0.561 5.202 4.640 0.000 0.000 0.277 87 D C 0.825 177.118 176.300 -0.013 0.000 1.261 87 D CA 1.397 55.381 54.000 -0.027 0.000 0.759 87 D CB 0.331 41.126 40.800 -0.008 0.000 1.279 87 D HN 1.364 nan 8.370 nan 0.000 0.420 88 G N -0.155 108.640 108.800 -0.008 0.000 2.184 88 G HA2 -0.284 3.676 3.960 0.000 0.000 0.206 88 G HA3 -0.284 3.676 3.960 0.000 0.000 0.206 88 G C 1.044 175.944 174.900 -0.001 0.000 0.995 88 G CA 1.399 46.503 45.100 0.005 0.000 0.651 88 G HN 0.960 nan 8.290 nan 0.000 0.511 89 T N -1.563 112.979 114.554 -0.021 0.000 2.708 89 T HA -0.120 4.231 4.350 0.000 0.000 0.266 89 T C 2.225 176.917 174.700 -0.014 0.000 1.037 89 T CA 2.629 64.711 62.100 -0.029 0.000 1.146 89 T CB -0.871 67.969 68.868 -0.046 0.000 0.865 89 T HN 0.310 nan 8.240 nan 0.000 0.435 90 T N 1.919 116.466 114.554 -0.012 0.000 2.684 90 T HA -0.124 4.226 4.350 0.000 0.000 0.267 90 T C 2.278 176.979 174.700 0.002 0.000 1.036 90 T CA 1.954 64.051 62.100 -0.006 0.000 1.148 90 T CB -1.084 67.781 68.868 -0.006 0.000 0.863 90 T HN 0.523 nan 8.240 nan 0.000 0.436 91 T N 2.027 116.584 114.554 0.006 0.000 2.684 91 T HA -0.104 4.246 4.350 0.000 0.000 0.267 91 T C 2.378 177.090 174.700 0.020 0.000 1.036 91 T CA 1.330 63.438 62.100 0.013 0.000 1.148 91 T CB -0.663 68.215 68.868 0.017 0.000 0.863 91 T HN 0.448 nan 8.240 nan 0.000 0.436 92 A N 1.158 123.994 122.820 0.026 0.000 1.908 92 A HA -0.170 4.150 4.320 0.000 0.000 0.218 92 A C 2.562 180.163 177.584 0.028 0.000 1.181 92 A CA 2.281 54.342 52.037 0.040 0.000 0.627 92 A CB -1.304 17.726 19.000 0.051 0.000 0.818 92 A HN 0.498 nan 8.150 nan 0.000 0.445 93 T N -0.334 114.229 114.554 0.014 0.000 2.708 93 T HA -0.136 4.214 4.350 0.000 0.000 0.266 93 T C 2.015 176.721 174.700 0.011 0.000 1.037 93 T CA 2.032 64.138 62.100 0.009 0.000 1.146 93 T CB -0.723 68.145 68.868 -0.000 0.000 0.865 93 T HN 0.706 nan 8.240 nan 0.000 0.435 94 V N 0.412 120.332 119.914 0.010 0.000 2.548 94 V HA 0.019 4.139 4.120 0.000 0.000 0.249 94 V C 2.197 178.298 176.094 0.012 0.000 1.055 94 V CA 1.320 63.625 62.300 0.009 0.000 1.065 94 V CB -0.985 30.843 31.823 0.007 0.000 0.681 94 V HN 0.453 nan 8.190 nan 0.000 0.462 95 L N 0.531 121.764 121.223 0.016 0.000 2.056 95 L HA -0.030 4.311 4.340 0.000 0.000 0.207 95 L C 3.048 179.930 176.870 0.019 0.000 1.078 95 L CA 1.645 56.496 54.840 0.019 0.000 0.749 95 L CB -0.855 41.218 42.059 0.024 0.000 0.901 95 L HN 0.465 nan 8.230 nan 0.000 0.433 96 A N -0.456 122.378 122.820 0.022 0.000 1.902 96 A HA -0.289 4.031 4.320 0.000 0.000 0.217 96 A C 2.248 179.842 177.584 0.017 0.000 1.181 96 A CA 1.835 53.886 52.037 0.023 0.000 0.623 96 A CB -0.601 18.414 19.000 0.026 0.000 0.818 96 A HN 0.498 nan 8.150 nan 0.000 0.443 97 Q N -0.470 119.338 119.800 0.013 0.000 2.135 97 Q HA -0.145 4.196 4.340 0.000 0.000 0.204 97 Q C 2.130 178.136 176.000 0.010 0.000 0.981 97 Q CA 1.690 57.499 55.803 0.011 0.000 0.856 97 Q CB -0.346 28.397 28.738 0.008 0.000 0.902 97 Q HN 0.601 nan 8.270 nan 0.000 0.425 98 A N 0.919 123.745 122.820 0.010 0.000 1.855 98 A HA -0.148 4.172 4.320 0.000 0.000 0.215 98 A C 2.007 179.596 177.584 0.009 0.000 1.191 98 A CA 1.416 53.458 52.037 0.009 0.000 0.613 98 A CB -0.684 18.322 19.000 0.009 0.000 0.829 98 A HN 0.478 nan 8.150 nan 0.000 0.442 99 I N -0.268 120.308 120.570 0.011 0.000 2.179 99 I HA -0.261 3.910 4.170 0.000 0.000 0.242 99 I C 2.349 178.472 176.117 0.011 0.000 1.088 99 I CA 1.409 62.716 61.300 0.011 0.000 1.357 99 I CB -0.456 37.552 38.000 0.013 0.000 1.051 99 I HN 0.293 nan 8.210 nan 0.000 0.409 100 I N 0.432 121.010 120.570 0.012 0.000 2.226 100 I HA -0.273 3.897 4.170 0.000 0.000 0.245 100 I C 2.617 178.740 176.117 0.010 0.000 1.100 100 I CA 1.551 62.858 61.300 0.012 0.000 1.374 100 I CB -0.614 37.394 38.000 0.014 0.000 1.057 100 I HN 0.259 nan 8.210 nan 0.000 0.413 101 T N 0.248 114.807 114.554 0.009 0.000 2.652 101 T HA -0.169 4.181 4.350 0.000 0.000 0.267 101 T C 1.845 176.549 174.700 0.006 0.000 1.039 101 T CA 1.358 63.462 62.100 0.007 0.000 1.153 101 T CB -0.146 68.725 68.868 0.006 0.000 0.863 101 T HN 0.280 nan 8.240 nan 0.000 0.428 102 E N 0.557 120.761 120.200 0.006 0.000 2.072 102 E HA 0.012 4.362 4.350 0.000 0.000 0.190 102 E C 2.567 179.170 176.600 0.005 0.000 0.982 102 E CA 0.982 57.385 56.400 0.005 0.000 0.803 102 E CB -0.902 28.801 29.700 0.005 0.000 0.755 102 E HN 0.549 nan 8.360 nan 0.000 0.453 103 G N 1.515 110.319 108.800 0.007 0.000 2.440 103 G HA2 -0.240 3.721 3.960 0.000 0.000 0.218 103 G HA3 -0.240 3.721 3.960 0.000 0.000 0.218 103 G C 1.728 176.632 174.900 0.007 0.000 1.154 103 G CA 0.646 45.751 45.100 0.007 0.000 0.767 103 G HN 0.188 nan 8.290 nan 0.000 0.552 104 L N -0.292 120.935 121.223 0.007 0.000 2.141 104 L HA -0.018 4.322 4.340 0.000 0.000 0.209 104 L C 2.960 179.833 176.870 0.005 0.000 1.094 104 L CA 1.023 55.867 54.840 0.007 0.000 0.763 104 L CB -0.287 41.776 42.059 0.007 0.000 0.908 104 L HN 0.196 nan 8.230 nan 0.000 0.437 105 K N 0.153 120.556 120.400 0.004 0.000 2.026 105 K HA -0.159 4.161 4.320 0.000 0.000 0.208 105 K C 2.256 178.858 176.600 0.003 0.000 1.048 105 K CA 1.424 57.713 56.287 0.003 0.000 0.929 105 K CB -0.236 32.266 32.500 0.003 0.000 0.713 105 K HN 0.268 nan 8.250 nan 0.000 0.439 106 A N 0.960 123.782 122.820 0.004 0.000 1.908 106 A HA -0.144 4.176 4.320 0.000 0.000 0.218 106 A C 2.335 179.921 177.584 0.004 0.000 1.181 106 A CA 1.555 53.594 52.037 0.003 0.000 0.627 106 A CB -0.682 18.321 19.000 0.004 0.000 0.818 106 A HN 0.092 nan 8.150 nan 0.000 0.445 107 V N -0.222 119.695 119.914 0.005 0.000 2.295 107 V HA -0.249 3.871 4.120 0.000 0.000 0.246 107 V C 3.037 179.133 176.094 0.004 0.000 1.049 107 V CA 1.961 64.264 62.300 0.006 0.000 1.024 107 V CB -1.240 30.587 31.823 0.008 0.000 0.648 107 V HN 0.614 nan 8.190 nan 0.000 0.447 108 A N -0.081 122.741 122.820 0.003 0.000 2.019 108 A HA -0.031 4.289 4.320 0.000 0.000 0.219 108 A C 2.232 179.817 177.584 0.001 0.000 1.164 108 A CA 1.701 53.739 52.037 0.002 0.000 0.644 108 A CB -0.576 18.425 19.000 0.001 0.000 0.805 108 A HN 0.600 nan 8.150 nan 0.000 0.449 109 A N -1.802 121.019 122.820 0.001 0.000 2.235 109 A HA 0.394 4.714 4.320 0.000 0.000 0.208 109 A C 1.752 179.337 177.584 0.000 0.000 1.172 109 A CA 1.245 53.283 52.037 0.000 0.000 0.786 109 A CB -0.881 18.119 19.000 0.001 0.000 0.804 109 A HN 1.854 nan 8.150 nan 0.000 0.479 110 G N -1.900 106.900 108.800 0.001 0.000 2.144 110 G HA2 -0.220 3.740 3.960 0.000 0.000 0.218 110 G HA3 -0.220 3.740 3.960 0.000 0.000 0.218 110 G C 0.153 175.054 174.900 0.001 0.000 0.988 110 G CA 0.215 45.316 45.100 0.001 0.000 0.659 110 G HN 0.375 nan 8.290 nan 0.000 0.522 111 M N 0.540 120.141 119.600 0.002 0.000 2.241 111 M HA 0.243 4.723 4.480 0.000 0.000 0.335 111 M C 0.714 177.017 176.300 0.004 0.000 1.122 111 M CA -0.569 54.732 55.300 0.003 0.000 1.164 111 M CB 0.432 33.033 32.600 0.003 0.000 1.459 111 M HN 0.129 nan 8.290 nan 0.000 0.461 112 N N 2.743 121.445 118.700 0.004 0.000 2.427 112 N HA 0.067 4.807 4.740 0.000 0.000 0.269 112 N C -2.061 173.452 175.510 0.006 0.000 1.235 112 N CA -1.201 51.852 53.050 0.005 0.000 0.934 112 N CB 0.963 39.453 38.487 0.004 0.000 1.121 112 N HN 0.293 nan 8.380 nan 0.000 0.480 113 P HA -0.159 nan 4.420 nan 0.000 0.215 113 P C 1.681 178.986 177.300 0.009 0.000 1.157 113 P CA 1.452 64.558 63.100 0.009 0.000 0.874 113 P CB 0.200 31.908 31.700 0.013 0.000 0.790 114 M N -0.808 118.797 119.600 0.008 0.000 2.108 114 M HA -0.147 4.334 4.480 0.000 0.000 0.261 114 M C 1.583 177.886 176.300 0.005 0.000 1.066 114 M CA 1.700 57.004 55.300 0.007 0.000 1.107 114 M CB -1.829 30.776 32.600 0.007 0.000 1.356 114 M HN -0.000 nan 8.290 nan 0.000 0.406 115 D N 0.406 120.809 120.400 0.004 0.000 2.144 115 D HA -0.039 4.601 4.640 0.000 0.000 0.200 115 D C 2.344 178.646 176.300 0.003 0.000 0.978 115 D CA 0.890 54.892 54.000 0.003 0.000 0.833 115 D CB -0.094 40.708 40.800 0.003 0.000 0.961 115 D HN 0.327 nan 8.370 nan 0.000 0.470 116 L N 0.787 122.012 121.223 0.004 0.000 2.042 116 L HA -0.202 4.138 4.340 0.000 0.000 0.210 116 L C 2.552 179.424 176.870 0.004 0.000 1.076 116 L CA 1.229 56.071 54.840 0.004 0.000 0.749 116 L CB -0.333 41.729 42.059 0.005 0.000 0.893 116 L HN -0.012 nan 8.230 nan 0.000 0.432 117 K N 0.268 120.671 120.400 0.005 0.000 2.057 117 K HA -0.224 4.096 4.320 0.000 0.000 0.207 117 K C 2.325 178.926 176.600 0.002 0.000 1.049 117 K CA 1.301 57.591 56.287 0.004 0.000 0.931 117 K CB -0.040 32.463 32.500 0.005 0.000 0.714 117 K HN 0.066 nan 8.250 nan 0.000 0.440 118 R N -0.300 120.201 120.500 0.001 0.000 2.091 118 R HA -0.110 4.230 4.340 0.000 0.000 0.238 118 R C 2.307 178.606 176.300 -0.001 0.000 1.136 118 R CA 1.735 57.835 56.100 -0.000 0.000 0.959 118 R CB -0.542 29.758 30.300 0.000 0.000 0.856 118 R HN 0.432 nan 8.270 nan 0.000 0.437 119 G N 0.748 109.548 108.800 0.000 0.000 2.421 119 G HA2 -0.239 3.721 3.960 0.000 0.000 0.216 119 G HA3 -0.239 3.721 3.960 0.000 0.000 0.216 119 G C 1.438 176.338 174.900 -0.000 0.000 1.171 119 G CA 0.839 45.939 45.100 0.000 0.000 0.775 119 G HN 0.247 nan 8.290 nan 0.000 0.543 120 I N 1.090 121.660 120.570 0.000 0.000 2.163 120 I HA -0.171 4.000 4.170 0.000 0.000 0.243 120 I C 2.338 178.452 176.117 -0.003 0.000 1.085 120 I CA 1.370 62.670 61.300 0.000 0.000 1.347 120 I CB -0.214 37.787 38.000 0.002 0.000 1.044 120 I HN 0.072 nan 8.210 nan 0.000 0.408 121 D N 0.767 121.164 120.400 -0.005 0.000 2.117 121 D HA -0.214 4.427 4.640 0.000 0.000 0.197 121 D C 2.061 178.355 176.300 -0.010 0.000 0.987 121 D CA 1.226 55.220 54.000 -0.010 0.000 0.829 121 D CB -0.254 40.540 40.800 -0.011 0.000 0.961 121 D HN 0.295 nan 8.370 nan 0.000 0.460 122 K N 0.760 121.156 120.400 -0.006 0.000 2.026 122 K HA -0.118 4.203 4.320 0.000 0.000 0.208 122 K C 2.044 178.641 176.600 -0.005 0.000 1.048 122 K CA 1.361 57.644 56.287 -0.005 0.000 0.929 122 K CB -0.057 32.441 32.500 -0.003 0.000 0.713 122 K HN 0.021 nan 8.250 nan 0.000 0.439 123 A N 0.565 123.383 122.820 -0.003 0.000 1.902 123 A HA -0.118 4.202 4.320 0.000 0.000 0.217 123 A C 2.233 179.815 177.584 -0.003 0.000 1.181 123 A CA 1.737 53.773 52.037 -0.001 0.000 0.623 123 A CB -0.655 18.345 19.000 0.001 0.000 0.818 123 A HN 0.185 nan 8.150 nan 0.000 0.443 124 V N -0.315 119.594 119.914 -0.007 0.000 2.343 124 V HA -0.230 3.890 4.120 0.000 0.000 0.247 124 V C 2.732 178.818 176.094 -0.014 0.000 1.051 124 V CA 2.463 64.756 62.300 -0.011 0.000 1.036 124 V CB -1.360 30.452 31.823 -0.018 0.000 0.654 124 V HN 0.603 nan 8.190 nan 0.000 0.451 125 T N 0.523 115.068 114.554 -0.015 0.000 2.684 125 T HA -0.198 4.152 4.350 0.000 0.000 0.267 125 T C 2.095 176.790 174.700 -0.009 0.000 1.036 125 T CA 1.764 63.855 62.100 -0.015 0.000 1.148 125 T CB -0.495 68.365 68.868 -0.013 0.000 0.863 125 T HN 0.579 nan 8.240 nan 0.000 0.436 126 A N 1.558 124.375 122.820 -0.005 0.000 1.883 126 A HA 0.066 4.387 4.320 0.000 0.000 0.217 126 A C 2.672 180.256 177.584 -0.000 0.000 1.186 126 A CA 2.050 54.086 52.037 -0.002 0.000 0.624 126 A CB -1.227 17.773 19.000 0.000 0.000 0.822 126 A HN 0.524 nan 8.150 nan 0.000 0.444 127 A N -0.708 122.112 122.820 -0.000 0.000 1.940 127 A HA -0.024 4.297 4.320 0.000 0.000 0.219 127 A C 2.215 179.800 177.584 0.001 0.000 1.176 127 A CA 1.846 53.884 52.037 0.002 0.000 0.631 127 A CB -0.925 18.076 19.000 0.002 0.000 0.814 127 A HN 0.432 nan 8.150 nan 0.000 0.446 128 V N 0.126 120.037 119.914 -0.004 0.000 2.515 128 V HA -0.187 3.933 4.120 0.000 0.000 0.250 128 V C 2.562 178.655 176.094 -0.002 0.000 1.058 128 V CA 2.027 64.323 62.300 -0.006 0.000 1.064 128 V CB -0.634 31.180 31.823 -0.015 0.000 0.675 128 V HN 0.497 nan 8.190 nan 0.000 0.461 129 E N -0.029 120.170 120.200 -0.001 0.000 2.047 129 E HA -0.210 4.140 4.350 0.000 0.000 0.191 129 E C 2.237 178.840 176.600 0.005 0.000 0.987 129 E CA 1.089 57.490 56.400 0.001 0.000 0.799 129 E CB -0.242 29.458 29.700 0.001 0.000 0.752 129 E HN 0.551 nan 8.360 nan 0.000 0.449 130 E N 0.569 120.773 120.200 0.006 0.000 2.209 130 E HA -0.145 4.205 4.350 0.000 0.000 0.196 130 E C 1.869 178.477 176.600 0.012 0.000 0.993 130 E CA 0.328 56.733 56.400 0.010 0.000 0.819 130 E CB -0.184 29.522 29.700 0.011 0.000 0.745 130 E HN 0.046 nan 8.360 nan 0.000 0.477 131 L N 0.469 121.698 121.223 0.010 0.000 2.072 131 L HA -0.062 4.278 4.340 0.000 0.000 0.205 131 L C 1.839 178.716 176.870 0.012 0.000 1.079 131 L CA 1.716 56.563 54.840 0.012 0.000 0.752 131 L CB -0.262 41.802 42.059 0.009 0.000 0.906 131 L HN -0.009 nan 8.230 nan 0.000 0.436 132 K N -1.030 119.376 120.400 0.009 0.000 2.057 132 K HA -0.113 4.207 4.320 0.000 0.000 0.207 132 K C 2.086 178.693 176.600 0.011 0.000 1.049 132 K CA 1.251 57.544 56.287 0.009 0.000 0.931 132 K CB -0.315 32.189 32.500 0.007 0.000 0.714 132 K HN 0.381 nan 8.250 nan 0.000 0.440 133 A N 1.498 124.325 122.820 0.011 0.000 1.877 133 A HA -0.159 4.161 4.320 0.000 0.000 0.216 133 A C 2.087 179.680 177.584 0.015 0.000 1.186 133 A CA 1.213 53.257 52.037 0.012 0.000 0.620 133 A CB -0.689 18.318 19.000 0.012 0.000 0.822 133 A HN 0.231 nan 8.150 nan 0.000 0.443 134 L N -0.057 121.177 121.223 0.017 0.000 2.191 134 L HA -0.074 4.266 4.340 0.000 0.000 0.212 134 L C 1.423 178.305 176.870 0.020 0.000 1.103 134 L CA 0.623 55.476 54.840 0.021 0.000 0.769 134 L CB -0.294 41.779 42.059 0.024 0.000 0.908 134 L HN 0.426 nan 8.230 nan 0.000 0.438 135 S N -0.511 115.199 115.700 0.017 0.000 2.552 135 S HA 0.084 4.554 4.470 0.000 0.000 0.289 135 S C -0.206 174.404 174.600 0.016 0.000 1.304 135 S CA -0.464 57.746 58.200 0.016 0.000 1.063 135 S CB 0.620 63.829 63.200 0.015 0.000 0.848 135 S HN 0.032 nan 8.310 nan 0.000 0.499 136 V N 8.270 128.193 119.914 0.016 0.000 2.435 136 V HA 0.397 4.517 4.120 0.000 0.000 0.290 136 V C -2.051 174.051 176.094 0.013 0.000 1.030 136 V CA -1.842 60.467 62.300 0.015 0.000 0.881 136 V CB 1.337 33.169 31.823 0.016 0.000 0.983 136 V HN 0.763 nan 8.190 nan 0.000 0.445 137 P HA 0.174 nan 4.420 nan 0.000 0.272 137 P C -0.606 176.701 177.300 0.010 0.000 1.230 137 P CA -0.226 62.881 63.100 0.011 0.000 0.788 137 P CB 0.473 32.179 31.700 0.010 0.000 0.949 138 C N 1.934 121.240 119.300 0.010 0.000 3.498 138 C HA 0.387 4.847 4.460 0.000 0.000 0.218 138 C C 1.105 176.100 174.990 0.008 0.000 1.284 138 C CA 0.077 59.101 59.018 0.009 0.000 1.343 138 C CB -1.444 26.302 27.740 0.010 0.000 1.825 138 C HN 0.520 nan 8.230 nan 0.000 0.518 139 S N 1.196 116.900 115.700 0.007 0.000 2.514 139 S HA 0.105 4.575 4.470 0.000 0.000 0.223 139 S C 0.327 174.930 174.600 0.005 0.000 1.046 139 S CA 0.201 58.405 58.200 0.006 0.000 0.914 139 S CB 0.086 63.290 63.200 0.007 0.000 0.807 139 S HN 0.955 nan 8.310 nan 0.000 0.497 140 D N 0.861 121.264 120.400 0.004 0.000 2.332 140 D HA 0.303 4.943 4.640 0.000 0.000 0.252 140 D C 1.063 177.364 176.300 0.002 0.000 1.050 140 D CA -0.234 53.768 54.000 0.003 0.000 0.970 140 D CB 0.769 41.571 40.800 0.003 0.000 1.141 140 D HN 0.029 nan 8.370 nan 0.000 0.485 141 S N 0.412 116.113 115.700 0.001 0.000 2.419 141 S HA -0.277 4.193 4.470 0.000 0.000 0.233 141 S C 1.607 176.207 174.600 0.000 0.000 1.016 141 S CA 1.149 59.349 58.200 -0.000 0.000 0.974 141 S CB -0.481 62.719 63.200 -0.001 0.000 0.786 141 S HN 0.621 nan 8.310 nan 0.000 0.492 142 K N 1.744 122.144 120.400 0.001 0.000 2.026 142 K HA -0.041 4.279 4.320 0.000 0.000 0.208 142 K C 2.339 178.940 176.600 0.002 0.000 1.048 142 K CA 1.258 57.546 56.287 0.001 0.000 0.929 142 K CB -0.658 31.843 32.500 0.002 0.000 0.713 142 K HN 0.436 nan 8.250 nan 0.000 0.439 143 A N 1.458 124.280 122.820 0.003 0.000 1.873 143 A HA -0.106 4.214 4.320 0.000 0.000 0.215 143 A C 2.113 179.699 177.584 0.003 0.000 1.186 143 A CA 1.446 53.485 52.037 0.004 0.000 0.616 143 A CB -0.624 18.379 19.000 0.005 0.000 0.823 143 A HN 0.360 nan 8.150 nan 0.000 0.442 144 I N -0.055 120.516 120.570 0.002 0.000 2.185 144 I HA -0.368 3.802 4.170 0.000 0.000 0.246 144 I C 2.944 179.061 176.117 -0.001 0.000 1.088 144 I CA 1.302 62.603 61.300 0.001 0.000 1.347 144 I CB -0.369 37.631 38.000 -0.000 0.000 1.041 144 I HN 0.392 nan 8.210 nan 0.000 0.415 145 A N 0.054 122.873 122.820 -0.001 0.000 1.873 145 A HA -0.232 4.088 4.320 0.000 0.000 0.215 145 A C 2.254 179.837 177.584 -0.002 0.000 1.186 145 A CA 1.406 53.441 52.037 -0.003 0.000 0.616 145 A CB -0.604 18.395 19.000 -0.003 0.000 0.823 145 A HN 0.451 nan 8.150 nan 0.000 0.442 146 Q N -0.395 119.405 119.800 -0.000 0.000 2.030 146 Q HA -0.162 4.179 4.340 0.000 0.000 0.204 146 Q C 2.181 178.181 176.000 0.000 0.000 0.986 146 Q CA 1.947 57.750 55.803 0.000 0.000 0.843 146 Q CB -0.473 28.266 28.738 0.001 0.000 0.904 146 Q HN 0.485 nan 8.270 nan 0.000 0.420 147 V N 0.485 120.400 119.914 0.002 0.000 2.287 147 V HA -0.239 3.882 4.120 0.000 0.000 0.248 147 V C 2.254 178.349 176.094 0.003 0.000 1.053 147 V CA 2.027 64.329 62.300 0.004 0.000 1.027 147 V CB -1.282 30.544 31.823 0.006 0.000 0.646 147 V HN 0.575 nan 8.190 nan 0.000 0.447 148 G N -0.482 108.318 108.800 0.000 0.000 2.422 148 G HA2 -0.243 3.717 3.960 0.000 0.000 0.218 148 G HA3 -0.243 3.717 3.960 0.000 0.000 0.218 148 G C 1.675 176.573 174.900 -0.003 0.000 1.146 148 G CA 1.567 46.666 45.100 -0.002 0.000 0.769 148 G HN 0.491 nan 8.290 nan 0.000 0.547 149 T N 1.428 115.980 114.554 -0.003 0.000 2.708 149 T HA -0.041 4.310 4.350 0.000 0.000 0.266 149 T C 2.384 177.082 174.700 -0.003 0.000 1.037 149 T CA 1.001 63.098 62.100 -0.004 0.000 1.146 149 T CB -0.154 68.712 68.868 -0.004 0.000 0.865 149 T HN 0.273 nan 8.240 nan 0.000 0.435 150 I N 1.397 121.965 120.570 -0.003 0.000 2.286 150 I HA -0.158 4.012 4.170 0.000 0.000 0.248 150 I C 2.578 178.694 176.117 -0.002 0.000 1.115 150 I CA 0.962 62.260 61.300 -0.003 0.000 1.392 150 I CB -0.405 37.593 38.000 -0.003 0.000 1.065 150 I HN 0.198 nan 8.210 nan 0.000 0.418 151 S N 0.952 116.653 115.700 0.002 0.000 2.406 151 S HA -0.018 4.452 4.470 0.000 0.000 0.228 151 S C 1.957 176.560 174.600 0.005 0.000 1.020 151 S CA 1.057 59.261 58.200 0.006 0.000 0.965 151 S CB -0.220 62.987 63.200 0.012 0.000 0.798 151 S HN 0.516 nan 8.310 nan 0.000 0.488 152 A N 1.266 124.087 122.820 0.001 0.000 2.276 152 A HA 0.287 4.607 4.320 0.000 0.000 0.212 152 A C 0.750 178.332 177.584 -0.002 0.000 1.230 152 A CA 0.150 52.187 52.037 -0.001 0.000 0.844 152 A CB -0.778 18.220 19.000 -0.004 0.000 0.860 152 A HN 0.482 nan 8.150 nan 0.000 0.486 153 N N -1.027 117.671 118.700 -0.003 0.000 2.780 153 N HA -0.210 4.531 4.740 0.000 0.000 0.247 153 N C 0.128 175.634 175.510 -0.007 0.000 1.076 153 N CA 1.058 54.104 53.050 -0.005 0.000 0.688 153 N CB -1.911 36.573 38.487 -0.005 0.000 0.957 153 N HN 0.484 nan 8.380 nan 0.000 0.551 154 S N -1.539 114.157 115.700 -0.007 0.000 3.593 154 S HA -0.211 4.259 4.470 0.000 0.000 0.301 154 S C -0.473 174.124 174.600 -0.006 0.000 1.209 154 S CA 0.722 58.918 58.200 -0.007 0.000 0.878 154 S CB -1.078 62.117 63.200 -0.009 0.000 1.000 154 S HN 0.725 nan 8.310 nan 0.000 0.578 155 D N 1.321 121.717 120.400 -0.006 0.000 2.456 155 D HA 0.284 4.925 4.640 0.000 0.000 0.219 155 D C 1.100 177.397 176.300 -0.006 0.000 1.126 155 D CA -0.356 53.641 54.000 -0.005 0.000 0.890 155 D CB 0.471 41.267 40.800 -0.005 0.000 1.025 155 D HN 0.445 nan 8.370 nan 0.000 0.511 156 E N 1.045 121.241 120.200 -0.005 0.000 2.219 156 E HA -0.172 4.178 4.350 0.000 0.000 0.198 156 E C 1.362 177.959 176.600 -0.006 0.000 0.998 156 E CA 1.170 57.567 56.400 -0.005 0.000 0.818 156 E CB 0.304 30.001 29.700 -0.004 0.000 0.741 156 E HN 0.478 nan 8.360 nan 0.000 0.477 157 T N 0.727 115.277 114.554 -0.006 0.000 2.622 157 T HA -0.168 4.183 4.350 0.000 0.000 0.266 157 T C 2.113 176.808 174.700 -0.008 0.000 1.047 157 T CA 1.506 63.602 62.100 -0.007 0.000 1.159 157 T CB -0.331 68.533 68.868 -0.007 0.000 0.863 157 T HN 0.007 nan 8.240 nan 0.000 0.422 158 V N 1.513 121.421 119.914 -0.009 0.000 2.287 158 V HA -0.160 3.961 4.120 0.000 0.000 0.248 158 V C 2.890 178.978 176.094 -0.011 0.000 1.053 158 V CA 2.051 64.345 62.300 -0.011 0.000 1.027 158 V CB -1.549 30.267 31.823 -0.010 0.000 0.646 158 V HN 0.626 nan 8.190 nan 0.000 0.447 159 G N -0.398 108.396 108.800 -0.009 0.000 2.476 159 G HA2 -0.353 3.607 3.960 0.000 0.000 0.218 159 G HA3 -0.353 3.607 3.960 0.000 0.000 0.218 159 G C 1.643 176.538 174.900 -0.008 0.000 1.164 159 G CA 1.274 46.370 45.100 -0.008 0.000 0.768 159 G HN 0.513 nan 8.290 nan 0.000 0.560 160 K N -0.025 120.370 120.400 -0.008 0.000 2.009 160 K HA -0.002 4.318 4.320 0.000 0.000 0.210 160 K C 2.586 179.181 176.600 -0.009 0.000 1.049 160 K CA 1.060 57.342 56.287 -0.007 0.000 0.929 160 K CB -0.345 32.151 32.500 -0.007 0.000 0.714 160 K HN 0.334 nan 8.250 nan 0.000 0.440 161 L N 1.027 122.243 121.223 -0.011 0.000 1.971 161 L HA -0.268 4.072 4.340 0.000 0.000 0.215 161 L C 2.526 179.386 176.870 -0.016 0.000 1.072 161 L CA 1.602 56.434 54.840 -0.014 0.000 0.758 161 L CB -0.427 41.622 42.059 -0.016 0.000 0.889 161 L HN 0.305 nan 8.230 nan 0.000 0.433 162 I N -0.535 120.024 120.570 -0.018 0.000 2.208 162 I HA -0.333 3.837 4.170 0.000 0.000 0.245 162 I C 2.747 178.854 176.117 -0.016 0.000 1.097 162 I CA 1.264 62.551 61.300 -0.021 0.000 1.363 162 I CB -0.506 37.480 38.000 -0.023 0.000 1.051 162 I HN 0.271 nan 8.210 nan 0.000 0.413 163 A N 0.540 123.353 122.820 -0.011 0.000 1.902 163 A HA -0.212 4.108 4.320 0.000 0.000 0.217 163 A C 2.195 179.774 177.584 -0.008 0.000 1.181 163 A CA 1.636 53.668 52.037 -0.008 0.000 0.623 163 A CB -0.533 18.463 19.000 -0.006 0.000 0.818 163 A HN 0.473 nan 8.150 nan 0.000 0.443 164 E N -0.111 120.083 120.200 -0.009 0.000 2.072 164 E HA -0.085 4.265 4.350 0.000 0.000 0.191 164 E C 2.328 178.923 176.600 -0.009 0.000 0.985 164 E CA 0.881 57.276 56.400 -0.008 0.000 0.801 164 E CB -0.314 29.381 29.700 -0.008 0.000 0.750 164 E HN 0.610 nan 8.360 nan 0.000 0.452 165 A N 1.465 124.278 122.820 -0.012 0.000 1.877 165 A HA -0.183 4.138 4.320 0.000 0.000 0.216 165 A C 2.198 179.775 177.584 -0.012 0.000 1.186 165 A CA 1.448 53.476 52.037 -0.014 0.000 0.620 165 A CB -0.468 18.520 19.000 -0.020 0.000 0.822 165 A HN 0.132 nan 8.150 nan 0.000 0.443 166 M N -1.049 118.543 119.600 -0.012 0.000 2.296 166 M HA -0.119 4.361 4.480 0.000 0.000 0.265 166 M C 1.762 178.058 176.300 -0.006 0.000 1.064 166 M CA 1.699 56.993 55.300 -0.009 0.000 1.109 166 M CB -0.471 32.124 32.600 -0.008 0.000 1.396 166 M HN 0.476 nan 8.290 nan 0.000 0.430 167 D N 0.687 121.083 120.400 -0.006 0.000 2.178 167 D HA -0.124 4.516 4.640 0.000 0.000 0.202 167 D C 1.987 178.284 176.300 -0.004 0.000 0.974 167 D CA 1.124 55.121 54.000 -0.004 0.000 0.841 167 D CB 0.272 41.070 40.800 -0.004 0.000 0.953 167 D HN 0.029 nan 8.370 nan 0.000 0.478 168 K N -0.156 120.241 120.400 -0.005 0.000 2.031 168 K HA -0.020 4.301 4.320 0.000 0.000 0.205 168 K C 1.890 178.488 176.600 -0.004 0.000 1.049 168 K CA 1.260 57.544 56.287 -0.005 0.000 0.939 168 K CB -0.289 32.207 32.500 -0.006 0.000 0.717 168 K HN 0.309 nan 8.250 nan 0.000 0.438 169 V N -3.087 116.824 119.914 -0.005 0.000 3.427 169 V HA 0.431 4.551 4.120 0.000 0.000 0.305 169 V C 0.462 176.555 176.094 -0.002 0.000 1.412 169 V CA 0.093 62.391 62.300 -0.003 0.000 1.086 169 V CB -0.231 31.590 31.823 -0.004 0.000 0.964 169 V HN 0.351 nan 8.190 nan 0.000 0.439 170 G N 2.078 110.877 108.800 -0.002 0.000 2.690 170 G HA2 -0.162 3.799 3.960 0.000 0.000 0.686 170 G HA3 -0.162 3.799 3.960 0.000 0.000 0.686 170 G C 0.047 174.947 174.900 -0.001 0.000 1.277 170 G CA -0.144 44.956 45.100 -0.000 0.000 0.799 170 G HN 0.634 nan 8.290 nan 0.000 0.613 171 K N -0.153 120.248 120.400 0.001 0.000 2.525 171 K HA 0.113 4.433 4.320 0.000 0.000 0.192 171 K C 0.538 177.141 176.600 0.004 0.000 1.029 171 K CA 1.094 57.382 56.287 0.001 0.000 1.029 171 K CB 0.523 33.025 32.500 0.003 0.000 0.814 171 K HN 0.435 nan 8.250 nan 0.000 0.503 172 E N 1.216 121.419 120.200 0.005 0.000 2.693 172 E HA 0.123 4.473 4.350 0.000 0.000 0.214 172 E C 0.344 176.948 176.600 0.007 0.000 0.990 172 E CA -0.091 56.314 56.400 0.009 0.000 1.047 172 E CB 1.221 30.927 29.700 0.010 0.000 1.039 172 E HN 0.364 nan 8.360 nan 0.000 0.475 173 G N 0.565 109.366 108.800 0.003 0.000 2.477 173 G HA2 0.373 4.333 3.960 0.000 0.000 0.304 173 G HA3 0.373 4.333 3.960 0.000 0.000 0.304 173 G C 0.077 174.976 174.900 -0.001 0.000 1.175 173 G CA -0.450 44.652 45.100 0.002 0.000 0.907 173 G HN -0.055 nan 8.290 nan 0.000 0.509 174 V N 0.996 120.910 119.914 0.000 0.000 2.572 174 V HA 0.272 4.392 4.120 0.000 0.000 0.291 174 V C 0.239 176.325 176.094 -0.013 0.000 1.039 174 V CA 0.394 62.691 62.300 -0.004 0.000 1.055 174 V CB 0.363 32.187 31.823 0.003 0.000 0.969 174 V HN 0.428 nan 8.190 nan 0.000 0.482 175 I N 4.125 124.680 120.570 -0.025 0.000 2.534 175 I HA 0.464 4.634 4.170 0.000 0.000 0.288 175 I C -0.177 175.912 176.117 -0.046 0.000 1.077 175 I CA -0.196 61.083 61.300 -0.035 0.000 1.051 175 I CB 2.401 40.375 38.000 -0.043 0.000 1.234 175 I HN 0.535 nan 8.210 nan 0.000 0.425 176 T N 4.800 119.331 114.554 -0.038 0.000 2.924 176 T HA 0.647 4.997 4.350 0.000 0.000 0.291 176 T C -0.567 174.110 174.700 -0.038 0.000 1.045 176 T CA -0.661 61.416 62.100 -0.039 0.000 1.015 176 T CB 2.554 71.406 68.868 -0.026 0.000 1.103 176 T HN 0.446 nan 8.240 nan 0.000 0.496 177 V N -0.392 119.499 119.914 -0.037 0.000 2.680 177 V HA 0.870 4.991 4.120 0.000 0.000 0.309 177 V C -1.001 175.081 176.094 -0.020 0.000 1.052 177 V CA -0.771 61.511 62.300 -0.031 0.000 0.908 177 V CB 1.780 33.580 31.823 -0.038 0.000 1.001 177 V HN 0.955 nan 8.190 nan 0.000 0.431 178 E N 1.776 121.966 120.200 -0.016 0.000 2.429 178 E HA 0.415 4.765 4.350 0.000 0.000 0.276 178 E C -1.638 174.956 176.600 -0.010 0.000 0.953 178 E CA -1.039 55.354 56.400 -0.012 0.000 0.787 178 E CB 1.805 31.498 29.700 -0.012 0.000 1.307 178 E HN 0.788 nan 8.360 nan 0.000 0.458 179 D N 1.020 121.415 120.400 -0.007 0.000 2.443 179 D HA 0.154 4.794 4.640 0.000 0.000 0.239 179 D C 0.258 176.554 176.300 -0.008 0.000 1.136 179 D CA 0.373 54.369 54.000 -0.006 0.000 0.879 179 D CB 0.923 41.720 40.800 -0.005 0.000 1.195 179 D HN 0.502 nan 8.370 nan 0.000 0.443 180 G N -0.396 108.400 108.800 -0.007 0.000 2.588 180 G HA2 0.263 4.224 3.960 0.000 0.000 0.281 180 G HA3 0.263 4.224 3.960 0.000 0.000 0.281 180 G C 1.024 175.920 174.900 -0.007 0.000 1.236 180 G CA -0.207 44.889 45.100 -0.008 0.000 0.969 180 G HN 0.447 nan 8.290 nan 0.000 0.504 181 T N -3.350 111.200 114.554 -0.007 0.000 3.113 181 T HA 0.422 4.773 4.350 0.000 0.000 0.256 181 T C 1.033 175.730 174.700 -0.006 0.000 1.131 181 T CA 0.724 62.820 62.100 -0.007 0.000 1.074 181 T CB -0.084 68.780 68.868 -0.007 0.000 0.944 181 T HN 2.097 nan 8.240 nan 0.000 0.516 182 G N 1.602 110.399 108.800 -0.005 0.000 3.220 182 G HA2 0.313 4.274 3.960 0.000 0.000 0.636 182 G HA3 0.313 4.274 3.960 0.000 0.000 0.636 182 G C -0.744 174.154 174.900 -0.005 0.000 1.226 182 G CA -0.696 44.401 45.100 -0.005 0.000 1.177 182 G HN 0.756 nan 8.290 nan 0.000 0.527 183 L N 1.039 122.260 121.223 -0.005 0.000 1.435 183 L HA -0.169 4.171 4.340 0.000 0.000 0.394 183 L C 0.272 177.139 176.870 -0.005 0.000 1.004 183 L CA 2.312 57.149 54.840 -0.004 0.000 1.225 183 L CB -0.571 41.485 42.059 -0.004 0.000 0.571 183 L HN 1.944 nan 8.230 nan 0.000 0.324 184 Q N 2.320 122.117 119.800 -0.005 0.000 3.001 184 Q HA -0.074 4.266 4.340 0.000 0.000 0.109 184 Q C -0.562 175.434 176.000 -0.006 0.000 1.575 184 Q CA 0.853 56.653 55.803 -0.006 0.000 0.345 184 Q CB -0.123 28.612 28.738 -0.005 0.000 0.591 184 Q HN 0.688 nan 8.270 nan 0.000 0.321 185 D N 2.521 122.916 120.400 -0.007 0.000 2.371 185 D HA 0.295 4.936 4.640 0.000 0.000 0.242 185 D C -0.007 176.288 176.300 -0.008 0.000 1.218 185 D CA 0.208 54.203 54.000 -0.008 0.000 0.945 185 D CB 0.699 41.493 40.800 -0.009 0.000 1.137 185 D HN 0.362 nan 8.370 nan 0.000 0.464 186 E N -0.261 119.933 120.200 -0.009 0.000 2.304 186 E HA 0.404 4.754 4.350 0.000 0.000 0.277 186 E C -1.303 175.291 176.600 -0.010 0.000 0.898 186 E CA -0.763 55.631 56.400 -0.009 0.000 0.764 186 E CB 2.319 32.014 29.700 -0.009 0.000 1.216 186 E HN 0.071 nan 8.360 nan 0.000 0.419 187 L N 3.223 124.441 121.223 -0.010 0.000 2.343 187 L HA 0.537 4.877 4.340 0.000 0.000 0.278 187 L C -1.671 175.193 176.870 -0.009 0.000 0.996 187 L CA -0.158 54.675 54.840 -0.011 0.000 0.831 187 L CB 1.127 43.179 42.059 -0.011 0.000 1.232 187 L HN 0.427 nan 8.230 nan 0.000 0.413 188 D N 4.298 124.692 120.400 -0.010 0.000 2.732 188 D HA 0.482 5.122 4.640 0.000 0.000 0.229 188 D C -1.088 175.207 176.300 -0.008 0.000 1.152 188 D CA -0.264 53.731 54.000 -0.008 0.000 0.854 188 D CB 2.780 43.575 40.800 -0.008 0.000 1.590 188 D HN 0.258 nan 8.370 nan 0.000 0.468 189 V N 1.284 121.195 119.914 -0.006 0.000 2.417 189 V HA 0.516 4.636 4.120 0.000 0.000 0.291 189 V C 0.485 176.576 176.094 -0.004 0.000 1.024 189 V CA -0.654 61.643 62.300 -0.005 0.000 0.861 189 V CB 1.404 33.224 31.823 -0.004 0.000 0.985 189 V HN 0.507 nan 8.190 nan 0.000 0.436 190 V N 1.338 121.251 119.914 -0.003 0.000 3.155 190 V HA 0.712 4.832 4.120 0.000 0.000 0.313 190 V C -0.382 175.713 176.094 0.002 0.000 1.162 190 V CA -1.061 61.238 62.300 -0.002 0.000 1.048 190 V CB 2.157 33.978 31.823 -0.003 0.000 1.092 190 V HN 0.639 nan 8.190 nan 0.000 0.447 191 E N 1.336 121.537 120.200 0.003 0.000 2.299 191 E HA 0.614 4.964 4.350 0.000 0.000 0.272 191 E C 0.200 176.807 176.600 0.012 0.000 1.043 191 E CA 0.852 57.256 56.400 0.007 0.000 0.895 191 E CB 0.792 30.496 29.700 0.006 0.000 1.011 191 E HN 1.172 nan 8.360 nan 0.000 0.432 192 G N 1.432 110.242 108.800 0.017 0.000 2.606 192 G HA2 0.642 4.603 3.960 0.000 0.000 0.300 192 G HA3 0.642 4.603 3.960 0.000 0.000 0.300 192 G C -1.179 173.745 174.900 0.040 0.000 1.360 192 G CA -0.589 44.528 45.100 0.027 0.000 0.783 192 G HN 0.405 nan 8.290 nan 0.000 0.484 193 M N -0.504 119.134 119.600 0.062 0.000 2.833 193 M HA 0.601 5.082 4.480 0.000 0.000 0.270 193 M C -2.355 174.018 176.300 0.121 0.000 1.209 193 M CA -0.676 54.680 55.300 0.092 0.000 0.826 193 M CB 2.455 35.122 32.600 0.111 0.000 1.657 193 M HN 0.752 nan 8.290 nan 0.000 0.492 194 Q N 2.662 122.550 119.800 0.146 0.000 2.284 194 Q HA 0.613 4.953 4.340 0.000 0.000 0.269 194 Q C -2.252 173.862 176.000 0.191 0.000 1.026 194 Q CA -0.656 55.203 55.803 0.092 0.000 0.831 194 Q CB 1.962 30.706 28.738 0.010 0.000 1.322 194 Q HN 0.570 nan 8.270 nan 0.000 0.419 195 F N -0.186 119.766 119.950 0.003 0.000 2.611 195 F HA 0.580 5.107 4.527 0.000 0.000 0.324 195 F C -0.453 175.349 175.800 0.004 0.000 1.061 195 F CA -1.327 56.676 58.000 0.006 0.000 0.954 195 F CB 0.989 39.994 39.000 0.008 0.000 1.301 195 F HN 0.294 nan 8.300 nan 0.000 0.482 196 D N 2.626 123.126 120.400 0.166 0.000 2.619 196 D HA 0.219 4.860 4.640 0.000 0.000 0.224 196 D C -0.361 175.981 176.300 0.071 0.000 1.133 196 D CA 0.223 54.256 54.000 0.055 0.000 1.017 196 D CB -0.041 40.800 40.800 0.069 0.000 1.077 196 D HN 0.286 nan 8.370 nan 0.000 0.503 197 R N 0.473 120.953 120.500 -0.032 0.000 2.510 197 R HA 0.446 4.786 4.340 0.000 0.000 0.287 197 R C 0.243 176.463 176.300 -0.134 0.000 1.084 197 R CA -0.684 55.422 56.100 0.010 0.000 0.934 197 R CB 1.945 32.385 30.300 0.234 0.000 1.201 197 R HN 0.239 nan 8.270 nan 0.000 0.431 198 G N 1.309 110.020 108.800 -0.148 0.000 2.537 198 G HA2 0.393 4.354 3.960 0.000 0.000 0.297 198 G HA3 0.393 4.354 3.960 0.000 0.000 0.297 198 G C -0.482 174.316 174.900 -0.169 0.000 1.310 198 G CA -0.481 44.442 45.100 -0.295 0.000 1.027 198 G HN 0.439 nan 8.290 nan 0.000 0.505 199 Y N -1.382 118.952 120.300 0.056 0.000 2.683 199 Y HA 0.240 4.790 4.550 0.000 0.000 0.340 199 Y C 1.195 177.206 175.900 0.185 0.000 1.245 199 Y CA -1.074 57.113 58.100 0.145 0.000 1.485 199 Y CB 0.298 38.891 38.460 0.223 0.000 1.328 199 Y HN 0.184 nan 8.280 nan 0.000 0.603 200 L N 2.097 123.633 121.223 0.521 0.000 2.650 200 L HA 0.090 4.430 4.340 0.000 0.000 0.235 200 L C 0.292 177.372 176.870 0.350 0.000 1.149 200 L CA 0.973 56.049 54.840 0.394 0.000 0.887 200 L CB -0.623 41.656 42.059 0.367 0.000 1.021 200 L HN 0.910 nan 8.230 nan 0.000 0.441 201 S N -3.272 112.664 115.700 0.394 0.000 2.751 201 S HA 0.248 4.718 4.470 0.000 0.000 0.289 201 S C -2.907 171.515 174.600 -0.297 0.000 0.965 201 S CA -1.144 57.090 58.200 0.057 0.000 0.855 201 S CB 0.898 64.049 63.200 -0.080 0.000 1.068 201 S HN -0.257 nan 8.310 nan 0.000 0.462 202 P HA 0.410 nan 4.420 nan 0.000 0.339 202 P C 0.323 177.269 177.300 -0.591 0.000 1.413 202 P CA 0.649 63.249 63.100 -0.833 0.000 0.833 202 P CB -0.112 31.133 31.700 -0.760 0.000 2.004 203 Y N -4.836 115.263 120.300 -0.336 0.000 2.818 203 Y HA -0.302 4.248 4.550 0.000 0.000 0.487 203 Y C 1.901 177.697 175.900 -0.173 0.000 1.146 203 Y CA 1.461 59.397 58.100 -0.272 0.000 2.839 203 Y CB -3.005 35.232 38.460 -0.372 0.000 0.893 203 Y HN 0.091 nan 8.280 nan 0.000 0.545 204 F N 0.389 120.330 119.950 -0.015 0.000 2.216 204 F HA -0.036 4.491 4.527 0.000 0.000 0.300 204 F C 1.552 177.314 175.800 -0.063 0.000 1.085 204 F CA 0.608 58.593 58.000 -0.025 0.000 1.326 204 F CB -0.655 38.332 39.000 -0.022 0.000 1.027 204 F HN -0.017 nan 8.300 nan 0.000 0.497 205 I N 2.482 123.055 120.570 0.006 0.000 2.919 205 I HA -0.219 3.951 4.170 0.000 0.000 0.299 205 I C 0.559 176.688 176.117 0.019 0.000 1.221 205 I CA 0.608 61.888 61.300 -0.033 0.000 1.424 205 I CB -0.023 37.885 38.000 -0.152 0.000 1.358 205 I HN 0.231 nan 8.210 nan 0.000 0.551 206 N N 5.338 124.062 118.700 0.040 0.000 2.200 206 N HA 0.111 4.851 4.740 0.000 0.000 0.224 206 N C -0.240 175.286 175.510 0.027 0.000 1.179 206 N CA -0.301 52.772 53.050 0.038 0.000 0.877 206 N CB 0.560 39.075 38.487 0.047 0.000 1.072 206 N HN 0.409 nan 8.380 nan 0.000 0.519 207 K N 1.031 121.446 120.400 0.024 0.000 3.098 207 K HA 0.203 4.523 4.320 0.000 0.000 0.170 207 K C -2.204 174.406 176.600 0.017 0.000 1.106 207 K CA -1.244 55.056 56.287 0.022 0.000 0.864 207 K CB 2.158 34.674 32.500 0.028 0.000 1.047 207 K HN -0.023 nan 8.250 nan 0.000 0.609 208 P HA -0.225 nan 4.420 nan 0.000 0.217 208 P C 0.504 177.806 177.300 0.003 0.000 1.148 208 P CA 1.494 64.592 63.100 -0.004 0.000 0.834 208 P CB 0.488 32.182 31.700 -0.009 0.000 0.783 209 E N -0.126 120.080 120.200 0.008 0.000 2.097 209 E HA -0.123 4.227 4.350 0.000 0.000 0.196 209 E C 1.741 178.349 176.600 0.014 0.000 1.000 209 E CA 1.970 58.376 56.400 0.009 0.000 0.804 209 E CB -1.307 28.400 29.700 0.012 0.000 0.740 209 E HN 0.323 nan 8.360 nan 0.000 0.454 210 T N -1.224 113.343 114.554 0.022 0.000 3.069 210 T HA 0.291 4.641 4.350 0.000 0.000 0.252 210 T C 1.020 175.746 174.700 0.042 0.000 1.053 210 T CA 0.224 62.343 62.100 0.032 0.000 0.964 210 T CB 0.602 69.496 68.868 0.042 0.000 1.005 210 T HN 0.352 nan 8.240 nan 0.000 0.532 211 G N 1.905 110.728 108.800 0.038 0.000 2.366 211 G HA2 0.026 3.986 3.960 0.000 0.000 0.299 211 G HA3 0.026 3.986 3.960 0.000 0.000 0.299 211 G C 0.056 175.036 174.900 0.134 0.000 1.020 211 G CA 0.120 45.255 45.100 0.059 0.000 1.026 211 G HN 0.921 nan 8.290 nan 0.000 0.512 212 A N -1.177 121.706 122.820 0.105 0.000 2.479 212 A HA 0.913 5.233 4.320 0.000 0.000 0.296 212 A C -0.290 177.362 177.584 0.114 0.000 1.121 212 A CA -0.400 51.721 52.037 0.139 0.000 0.743 212 A CB 2.141 21.193 19.000 0.088 0.000 1.323 212 A HN 1.218 nan 8.150 nan 0.000 0.415 213 V N 1.089 121.088 119.914 0.142 0.000 2.398 213 V HA 0.529 4.649 4.120 0.000 0.000 0.286 213 V C -0.081 176.049 176.094 0.059 0.000 1.026 213 V CA -0.320 62.043 62.300 0.105 0.000 0.868 213 V CB 1.258 33.164 31.823 0.139 0.000 0.982 213 V HN 0.909 nan 8.190 nan 0.000 0.443 214 E N 4.817 125.041 120.200 0.040 0.000 2.255 214 E HA 0.559 4.909 4.350 0.000 0.000 0.256 214 E C -1.611 174.995 176.600 0.011 0.000 0.887 214 E CA -0.527 55.885 56.400 0.020 0.000 0.782 214 E CB 1.374 31.085 29.700 0.019 0.000 1.214 214 E HN 0.634 nan 8.360 nan 0.000 0.417 215 L N 3.364 124.587 121.223 -0.000 0.000 2.325 215 L HA 0.507 4.847 4.340 0.000 0.000 0.278 215 L C -0.134 176.725 176.870 -0.018 0.000 1.023 215 L CA -0.795 54.039 54.840 -0.009 0.000 0.811 215 L CB 1.746 43.796 42.059 -0.015 0.000 1.249 215 L HN 0.477 nan 8.230 nan 0.000 0.431 216 E N 1.270 121.455 120.200 -0.025 0.000 2.158 216 E HA 0.300 4.650 4.350 0.000 0.000 0.271 216 E C -0.433 176.129 176.600 -0.064 0.000 0.911 216 E CA -0.545 55.833 56.400 -0.037 0.000 0.767 216 E CB 1.609 31.291 29.700 -0.028 0.000 1.120 216 E HN 0.617 nan 8.360 nan 0.000 0.405 217 S N 1.906 117.559 115.700 -0.080 0.000 3.628 217 S HA -0.126 4.344 4.470 0.000 0.000 0.373 217 S C -2.161 172.321 174.600 -0.197 0.000 0.968 217 S CA 0.338 58.458 58.200 -0.133 0.000 1.215 217 S CB -1.435 61.684 63.200 -0.135 0.000 0.912 217 S HN 0.500 nan 8.310 nan 0.000 0.495 218 P HA 0.548 nan 4.420 nan 0.000 0.282 218 P C -0.022 177.195 177.300 -0.138 0.000 1.259 218 P CA -0.643 62.385 63.100 -0.121 0.000 0.826 218 P CB 0.598 32.278 31.700 -0.033 0.000 1.064 219 F N 0.712 120.661 119.950 -0.001 0.000 2.368 219 F HA 0.441 4.968 4.527 0.000 0.000 0.315 219 F C 0.930 176.731 175.800 0.001 0.000 1.145 219 F CA -0.219 57.782 58.000 0.000 0.000 1.095 219 F CB 0.549 39.548 39.000 -0.001 0.000 1.286 219 F HN 0.072 nan 8.300 nan 0.000 0.530 220 I N 3.081 123.794 120.570 0.239 0.000 2.500 220 I HA 0.214 4.384 4.170 0.000 0.000 0.286 220 I C -1.509 174.660 176.117 0.086 0.000 1.063 220 I CA -0.841 60.534 61.300 0.126 0.000 1.062 220 I CB 1.897 39.955 38.000 0.096 0.000 1.223 220 I HN 0.210 nan 8.210 nan 0.000 0.435 221 L N 8.237 129.494 121.223 0.057 0.000 2.264 221 L HA 0.529 4.869 4.340 0.000 0.000 0.289 221 L C -1.113 175.769 176.870 0.020 0.000 1.044 221 L CA 0.036 54.891 54.840 0.025 0.000 0.807 221 L CB 0.816 42.882 42.059 0.011 0.000 1.192 221 L HN 0.456 nan 8.230 nan 0.000 0.425 222 L N 6.429 127.657 121.223 0.009 0.000 2.277 222 L HA 0.745 5.085 4.340 0.000 0.000 0.284 222 L C -0.075 176.791 176.870 -0.005 0.000 1.028 222 L CA -0.440 54.399 54.840 -0.002 0.000 0.835 222 L CB 1.247 43.298 42.059 -0.014 0.000 1.215 222 L HN 0.809 nan 8.230 nan 0.000 0.425 223 A N 1.707 124.526 122.820 -0.001 0.000 2.311 223 A HA 0.349 4.669 4.320 0.000 0.000 0.306 223 A C -0.393 177.191 177.584 0.001 0.000 1.189 223 A CA -0.532 51.505 52.037 0.001 0.000 0.791 223 A CB 0.866 19.870 19.000 0.007 0.000 1.172 223 A HN 0.693 nan 8.150 nan 0.000 0.481 224 D N 2.588 122.986 120.400 -0.003 0.000 2.934 224 D HA 0.277 4.917 4.640 0.000 0.000 0.237 224 D C 0.238 176.542 176.300 0.007 0.000 1.158 224 D CA 0.435 54.434 54.000 -0.002 0.000 0.971 224 D CB -0.563 40.232 40.800 -0.009 0.000 1.123 224 D HN 0.624 nan 8.370 nan 0.000 0.467 225 K N -1.147 119.261 120.400 0.013 0.000 2.672 225 K HA 0.380 4.700 4.320 0.000 0.000 0.295 225 K C -1.172 175.443 176.600 0.026 0.000 1.042 225 K CA -1.198 55.100 56.287 0.018 0.000 0.869 225 K CB 0.898 33.407 32.500 0.014 0.000 1.541 225 K HN -0.209 nan 8.250 nan 0.000 0.396 226 K N 1.139 121.556 120.400 0.028 0.000 2.156 226 K HA 0.435 4.755 4.320 0.000 0.000 0.271 226 K C -0.612 176.007 176.600 0.032 0.000 0.995 226 K CA -0.584 55.723 56.287 0.034 0.000 0.890 226 K CB 1.110 33.631 32.500 0.035 0.000 1.073 226 K HN 0.380 nan 8.250 nan 0.000 0.454 227 I N 2.275 122.868 120.570 0.038 0.000 2.312 227 I HA 0.065 4.236 4.170 0.000 0.000 0.290 227 I C 0.540 176.679 176.117 0.036 0.000 1.008 227 I CA -0.006 61.316 61.300 0.035 0.000 1.226 227 I CB 1.643 39.666 38.000 0.039 0.000 1.371 227 I HN 0.694 nan 8.210 nan 0.000 0.468 228 S N 3.604 119.321 115.700 0.029 0.000 2.655 228 S HA 0.075 4.545 4.470 0.000 0.000 0.231 228 S C 0.843 175.457 174.600 0.023 0.000 1.044 228 S CA 0.091 58.307 58.200 0.027 0.000 0.910 228 S CB 0.128 63.341 63.200 0.021 0.000 0.833 228 S HN 0.637 nan 8.310 nan 0.000 0.581 229 N N 2.146 120.857 118.700 0.019 0.000 2.415 229 N HA 0.207 4.947 4.740 0.000 0.000 0.246 229 N C 0.259 175.779 175.510 0.017 0.000 1.078 229 N CA -0.017 53.042 53.050 0.016 0.000 0.942 229 N CB 0.541 39.035 38.487 0.012 0.000 1.140 229 N HN 0.293 nan 8.380 nan 0.000 0.501 230 I N 3.255 123.837 120.570 0.020 0.000 3.164 230 I HA -0.172 3.999 4.170 0.000 0.000 0.278 230 I C 1.928 178.053 176.117 0.015 0.000 1.320 230 I CA 0.528 61.841 61.300 0.022 0.000 1.422 230 I CB 0.123 38.139 38.000 0.026 0.000 1.066 230 I HN 0.445 nan 8.210 nan 0.000 0.503 231 R N 0.910 121.417 120.500 0.011 0.000 2.081 231 R HA -0.176 4.165 4.340 0.000 0.000 0.235 231 R C 1.994 178.297 176.300 0.005 0.000 1.131 231 R CA 1.569 57.673 56.100 0.007 0.000 0.960 231 R CB -0.183 30.120 30.300 0.005 0.000 0.856 231 R HN 0.425 nan 8.270 nan 0.000 0.436 232 E N -0.542 119.662 120.200 0.006 0.000 2.147 232 E HA -0.266 4.084 4.350 0.000 0.000 0.199 232 E C 1.776 178.376 176.600 -0.000 0.000 1.005 232 E CA 1.386 57.788 56.400 0.003 0.000 0.810 232 E CB -0.057 29.647 29.700 0.005 0.000 0.736 232 E HN 0.299 nan 8.360 nan 0.000 0.460 233 M N 0.059 119.661 119.600 0.004 0.000 2.156 233 M HA -0.086 4.395 4.480 0.000 0.000 0.264 233 M C 2.401 178.699 176.300 -0.004 0.000 1.067 233 M CA 1.016 56.316 55.300 0.002 0.000 1.131 233 M CB -0.923 31.684 32.600 0.012 0.000 1.368 233 M HN 0.163 nan 8.290 nan 0.000 0.416 234 L N 0.494 121.717 121.223 0.000 0.000 2.077 234 L HA -0.301 4.039 4.340 0.000 0.000 0.231 234 L C -0.210 176.654 176.870 -0.010 0.000 1.100 234 L CA 2.274 57.112 54.840 -0.002 0.000 0.819 234 L CB -2.847 39.212 42.059 -0.001 0.000 0.913 234 L HN 0.202 nan 8.230 nan 0.000 0.446 235 P HA -0.145 nan 4.420 nan 0.000 0.216 235 P C 1.772 179.052 177.300 -0.034 0.000 1.153 235 P CA 1.790 64.877 63.100 -0.021 0.000 0.858 235 P CB -0.044 31.644 31.700 -0.021 0.000 0.789 236 V N 0.129 120.020 119.914 -0.039 0.000 2.346 236 V HA -0.167 3.954 4.120 0.000 0.000 0.244 236 V C 2.908 178.967 176.094 -0.057 0.000 1.037 236 V CA 1.278 63.541 62.300 -0.063 0.000 1.029 236 V CB -1.340 30.447 31.823 -0.061 0.000 0.663 236 V HN -0.027 nan 8.190 nan 0.000 0.454 237 L N 0.103 121.309 121.223 -0.028 0.000 2.042 237 L HA -0.228 4.112 4.340 0.000 0.000 0.210 237 L C 2.673 179.539 176.870 -0.007 0.000 1.076 237 L CA 2.040 56.875 54.840 -0.009 0.000 0.749 237 L CB -0.535 41.528 42.059 0.007 0.000 0.893 237 L HN 0.447 nan 8.230 nan 0.000 0.432 238 E N 0.196 120.389 120.200 -0.011 0.000 2.077 238 E HA -0.260 4.090 4.350 0.000 0.000 0.193 238 E C 2.197 178.790 176.600 -0.013 0.000 0.989 238 E CA 1.198 57.594 56.400 -0.007 0.000 0.800 238 E CB 0.027 29.722 29.700 -0.009 0.000 0.746 238 E HN 0.485 nan 8.360 nan 0.000 0.452 239 A N 0.420 123.218 122.820 -0.037 0.000 1.877 239 A HA -0.137 4.184 4.320 0.000 0.000 0.216 239 A C 2.366 179.921 177.584 -0.047 0.000 1.186 239 A CA 1.476 53.478 52.037 -0.058 0.000 0.620 239 A CB -0.584 18.349 19.000 -0.111 0.000 0.822 239 A HN 0.226 nan 8.150 nan 0.000 0.443 240 V N -0.164 119.720 119.914 -0.051 0.000 2.667 240 V HA -0.163 3.957 4.120 0.000 0.000 0.252 240 V C 2.952 179.096 176.094 0.084 0.000 1.065 240 V CA 1.460 63.781 62.300 0.036 0.000 1.083 240 V CB -1.174 30.678 31.823 0.048 0.000 0.692 240 V HN 0.619 nan 8.190 nan 0.000 0.468 241 A N 0.021 122.867 122.820 0.043 0.000 1.851 241 A HA -0.183 4.138 4.320 0.000 0.000 0.216 241 A C 1.587 179.200 177.584 0.049 0.000 1.195 241 A CA 1.360 53.423 52.037 0.042 0.000 0.622 241 A CB -0.296 18.719 19.000 0.025 0.000 0.831 241 A HN 0.542 nan 8.150 nan 0.000 0.444 242 K N -2.785 117.640 120.400 0.042 0.000 2.136 242 K HA 0.398 4.718 4.320 0.000 0.000 0.237 242 K C 1.101 177.748 176.600 0.079 0.000 1.048 242 K CA 0.244 56.559 56.287 0.045 0.000 0.880 242 K CB 0.052 32.571 32.500 0.031 0.000 1.105 242 K HN 0.868 nan 8.250 nan 0.000 0.507 243 A N -0.075 122.794 122.820 0.080 0.000 4.287 243 A HA -0.212 4.108 4.320 0.000 0.000 0.258 243 A C 1.167 178.807 177.584 0.093 0.000 0.811 243 A CA 1.614 53.721 52.037 0.115 0.000 1.245 243 A CB -2.498 16.639 19.000 0.228 0.000 1.055 243 A HN 1.455 nan 8.150 nan 0.000 0.763 244 G N -0.641 108.208 108.800 0.082 0.000 2.393 244 G HA2 -0.226 3.734 3.960 0.000 0.000 0.299 244 G HA3 -0.226 3.734 3.960 0.000 0.000 0.299 244 G C -0.132 174.795 174.900 0.046 0.000 0.990 244 G CA 1.527 46.661 45.100 0.057 0.000 1.118 244 G HN 1.155 nan 8.290 nan 0.000 0.513 245 K N 0.498 120.946 120.400 0.080 0.000 2.375 245 K HA 0.531 4.851 4.320 0.000 0.000 0.249 245 K C -2.261 174.382 176.600 0.072 0.000 0.942 245 K CA -2.072 54.228 56.287 0.022 0.000 0.806 245 K CB 2.916 35.351 32.500 -0.108 0.000 1.227 245 K HN 0.087 nan 8.250 nan 0.000 0.430 246 P HA 0.142 nan 4.420 nan 0.000 0.274 246 P C -1.213 176.136 177.300 0.081 0.000 1.246 246 P CA -0.568 62.556 63.100 0.040 0.000 0.795 246 P CB 0.763 32.467 31.700 0.006 0.000 1.006 247 L N 2.050 123.315 121.223 0.070 0.000 2.410 247 L HA 0.536 4.876 4.340 0.000 0.000 0.270 247 L C -1.416 175.464 176.870 0.016 0.000 0.983 247 L CA -1.007 53.887 54.840 0.089 0.000 0.822 247 L CB 1.617 43.732 42.059 0.093 0.000 1.285 247 L HN 0.180 nan 8.230 nan 0.000 0.409 248 L N 6.082 127.323 121.223 0.030 0.000 2.287 248 L HA 0.606 4.946 4.340 0.000 0.000 0.287 248 L C -1.153 175.725 176.870 0.012 0.000 1.022 248 L CA -0.152 54.684 54.840 -0.006 0.000 0.814 248 L CB 1.021 43.093 42.059 0.022 0.000 1.217 248 L HN 0.456 nan 8.230 nan 0.000 0.420 249 I N 7.088 127.646 120.570 -0.019 0.000 2.304 249 I HA 0.271 4.442 4.170 0.000 0.000 0.291 249 I C -0.068 176.072 176.117 0.038 0.000 1.018 249 I CA -0.113 61.194 61.300 0.010 0.000 1.260 249 I CB 0.996 38.998 38.000 0.004 0.000 1.390 249 I HN 0.593 nan 8.210 nan 0.000 0.475 250 I N 6.285 126.884 120.570 0.049 0.000 2.412 250 I HA 0.461 4.631 4.170 0.000 0.000 0.279 250 I C 0.329 176.469 176.117 0.038 0.000 1.063 250 I CA -0.212 61.126 61.300 0.064 0.000 1.193 250 I CB 1.078 39.110 38.000 0.053 0.000 1.370 250 I HN 0.613 nan 8.210 nan 0.000 0.479 251 A N 4.134 126.984 122.820 0.050 0.000 2.344 251 A HA 0.445 4.765 4.320 0.000 0.000 0.307 251 A C 0.915 178.527 177.584 0.047 0.000 1.151 251 A CA -0.530 51.531 52.037 0.039 0.000 0.842 251 A CB 1.301 20.327 19.000 0.043 0.000 1.350 251 A HN 0.686 nan 8.150 nan 0.000 0.459 252 E N -0.781 119.443 120.200 0.040 0.000 2.265 252 E HA -0.077 4.273 4.350 0.000 0.000 0.196 252 E C -0.455 176.181 176.600 0.060 0.000 0.996 252 E CA 1.463 57.891 56.400 0.047 0.000 0.832 252 E CB 0.133 29.857 29.700 0.040 0.000 0.756 252 E HN 0.645 nan 8.360 nan 0.000 0.491 253 D N -2.346 118.091 120.400 0.062 0.000 3.020 253 D HA 0.028 4.668 4.640 0.000 0.000 0.268 253 D C -1.992 174.351 176.300 0.072 0.000 1.078 253 D CA -0.461 53.582 54.000 0.072 0.000 0.725 253 D CB 1.029 41.867 40.800 0.064 0.000 1.639 253 D HN -0.141 nan 8.370 nan 0.000 0.455 254 V N 2.713 122.680 119.914 0.089 0.000 2.376 254 V HA 0.416 4.536 4.120 0.000 0.000 0.287 254 V C 0.264 176.410 176.094 0.087 0.000 1.015 254 V CA -0.688 61.667 62.300 0.091 0.000 0.834 254 V CB 1.335 33.231 31.823 0.122 0.000 1.001 254 V HN 0.478 nan 8.190 nan 0.000 0.428 255 E N 2.573 122.812 120.200 0.065 0.000 2.392 255 E HA 0.296 4.646 4.350 0.000 0.000 0.259 255 E C 1.434 178.064 176.600 0.051 0.000 1.108 255 E CA 0.402 56.834 56.400 0.054 0.000 0.916 255 E CB 1.066 30.790 29.700 0.041 0.000 0.989 255 E HN 0.765 nan 8.360 nan 0.000 0.432 256 G N 1.811 110.635 108.800 0.041 0.000 2.853 256 G HA2 -0.449 3.512 3.960 0.000 0.000 0.234 256 G HA3 -0.449 3.512 3.960 0.000 0.000 0.234 256 G C 1.365 176.277 174.900 0.020 0.000 1.198 256 G CA 1.751 46.869 45.100 0.029 0.000 0.767 256 G HN 0.651 nan 8.290 nan 0.000 0.657 257 E N 0.716 120.926 120.200 0.016 0.000 2.058 257 E HA -0.004 4.346 4.350 0.000 0.000 0.194 257 E C 2.838 179.448 176.600 0.017 0.000 0.997 257 E CA 1.851 58.256 56.400 0.009 0.000 0.801 257 E CB -0.729 28.976 29.700 0.008 0.000 0.746 257 E HN 0.422 nan 8.360 nan 0.000 0.450 258 A N 0.301 123.140 122.820 0.031 0.000 1.883 258 A HA -0.179 4.141 4.320 0.000 0.000 0.217 258 A C 2.224 179.846 177.584 0.063 0.000 1.186 258 A CA 1.638 53.701 52.037 0.043 0.000 0.624 258 A CB -0.895 18.134 19.000 0.049 0.000 0.822 258 A HN 0.381 nan 8.150 nan 0.000 0.444 259 L N -0.297 120.971 121.223 0.075 0.000 2.046 259 L HA -0.091 4.249 4.340 0.000 0.000 0.208 259 L C 2.747 179.642 176.870 0.042 0.000 1.077 259 L CA 2.140 57.044 54.840 0.107 0.000 0.747 259 L CB -0.767 41.353 42.059 0.102 0.000 0.896 259 L HN 0.370 nan 8.230 nan 0.000 0.432 260 A N -1.651 121.167 122.820 -0.004 0.000 1.908 260 A HA -0.239 4.081 4.320 0.000 0.000 0.218 260 A C 2.271 179.830 177.584 -0.042 0.000 1.181 260 A CA 2.433 54.435 52.037 -0.058 0.000 0.627 260 A CB -1.248 17.720 19.000 -0.053 0.000 0.818 260 A HN 0.511 nan 8.150 nan 0.000 0.445 261 T N 0.598 115.151 114.554 -0.003 0.000 2.684 261 T HA -0.117 4.233 4.350 0.000 0.000 0.267 261 T C 1.823 176.544 174.700 0.035 0.000 1.036 261 T CA 1.505 63.610 62.100 0.009 0.000 1.148 261 T CB -0.437 68.443 68.868 0.020 0.000 0.863 261 T HN 0.379 nan 8.240 nan 0.000 0.436 262 L N 0.618 121.890 121.223 0.083 0.000 1.989 262 L HA -0.123 4.217 4.340 0.000 0.000 0.211 262 L C 2.719 179.687 176.870 0.164 0.000 1.071 262 L CA 1.097 56.030 54.840 0.155 0.000 0.749 262 L CB -0.900 41.323 42.059 0.272 0.000 0.890 262 L HN 0.141 nan 8.230 nan 0.000 0.431 263 V N -0.460 119.504 119.914 0.083 0.000 2.252 263 V HA -0.297 3.823 4.120 0.000 0.000 0.249 263 V C 2.463 178.529 176.094 -0.047 0.000 1.056 263 V CA 1.860 64.132 62.300 -0.047 0.000 1.022 263 V CB -0.406 31.242 31.823 -0.292 0.000 0.641 263 V HN 0.189 nan 8.190 nan 0.000 0.445 264 V N 0.430 120.300 119.914 -0.073 0.000 2.231 264 V HA -0.372 3.748 4.120 0.000 0.000 0.248 264 V C 2.105 178.189 176.094 -0.017 0.000 1.054 264 V CA 2.819 65.081 62.300 -0.063 0.000 1.015 264 V CB -1.080 30.708 31.823 -0.059 0.000 0.638 264 V HN 0.630 nan 8.190 nan 0.000 0.444 265 N N 0.017 118.721 118.700 0.008 0.000 2.104 265 N HA -0.188 4.552 4.740 0.000 0.000 0.190 265 N C 1.882 177.414 175.510 0.037 0.000 1.024 265 N CA 1.831 54.894 53.050 0.022 0.000 0.853 265 N CB -0.261 38.243 38.487 0.029 0.000 1.008 265 N HN 0.727 nan 8.380 nan 0.000 0.424 266 T N -1.285 113.308 114.554 0.064 0.000 2.995 266 T HA -0.055 4.295 4.350 0.000 0.000 0.269 266 T C 1.670 176.405 174.700 0.059 0.000 1.091 266 T CA 0.640 62.786 62.100 0.077 0.000 1.128 266 T CB -0.105 68.842 68.868 0.131 0.000 0.891 266 T HN 0.135 nan 8.240 nan 0.000 0.492 267 M N 0.245 119.869 119.600 0.040 0.000 2.562 267 M HA 0.224 4.705 4.480 0.000 0.000 0.257 267 M C 1.830 178.136 176.300 0.011 0.000 1.099 267 M CA 0.765 56.077 55.300 0.021 0.000 1.099 267 M CB 0.055 32.648 32.600 -0.011 0.000 1.427 267 M HN 0.139 nan 8.290 nan 0.000 0.489 268 R N -1.023 119.484 120.500 0.011 0.000 2.393 268 R HA 0.250 4.590 4.340 0.000 0.000 0.244 268 R C 1.170 177.477 176.300 0.012 0.000 0.920 268 R CA 0.543 56.647 56.100 0.006 0.000 1.076 268 R CB 0.388 30.689 30.300 0.001 0.000 1.119 268 R HN 0.530 nan 8.270 nan 0.000 0.524 269 G N 1.495 110.307 108.800 0.020 0.000 2.268 269 G HA2 -0.282 3.678 3.960 0.000 0.000 0.240 269 G HA3 -0.282 3.678 3.960 0.000 0.000 0.240 269 G C 0.282 175.197 174.900 0.024 0.000 1.010 269 G CA -0.301 44.811 45.100 0.021 0.000 0.618 269 G HN 0.242 nan 8.290 nan 0.000 0.516 270 I N 2.188 122.772 120.570 0.023 0.000 2.347 270 I HA 0.421 4.591 4.170 0.000 0.000 0.294 270 I C 0.755 176.892 176.117 0.033 0.000 1.090 270 I CA -0.425 60.890 61.300 0.025 0.000 1.314 270 I CB 0.719 38.731 38.000 0.019 0.000 1.423 270 I HN 0.219 nan 8.210 nan 0.000 0.503 271 V N 5.244 125.181 119.914 0.038 0.000 3.480 271 V HA -0.226 3.895 4.120 0.000 0.000 0.494 271 V C 0.096 176.222 176.094 0.053 0.000 0.682 271 V CA 0.349 62.677 62.300 0.047 0.000 2.039 271 V CB -0.974 30.875 31.823 0.044 0.000 2.474 271 V HN 0.806 nan 8.190 nan 0.000 0.505 272 K N 3.900 124.332 120.400 0.053 0.000 2.253 272 K HA 0.731 5.051 4.320 0.000 0.000 0.277 272 K C -0.424 176.199 176.600 0.039 0.000 1.053 272 K CA -0.540 55.779 56.287 0.053 0.000 0.892 272 K CB 1.894 34.420 32.500 0.042 0.000 1.102 272 K HN 0.514 nan 8.250 nan 0.000 0.469 273 V N 1.223 121.158 119.914 0.036 0.000 3.001 273 V HA 0.812 4.932 4.120 0.000 0.000 0.314 273 V C -0.889 175.052 176.094 -0.255 0.000 1.099 273 V CA -1.032 61.243 62.300 -0.042 0.000 0.989 273 V CB 1.950 33.781 31.823 0.013 0.000 1.040 273 V HN 0.858 nan 8.190 nan 0.000 0.434 274 A N 1.726 124.263 122.820 -0.472 0.000 2.517 274 A HA 0.969 5.289 4.320 0.000 0.000 0.297 274 A C -0.785 176.422 177.584 -0.628 0.000 1.050 274 A CA -0.014 51.397 52.037 -1.043 0.000 0.694 274 A CB 1.733 20.399 19.000 -0.556 0.000 1.277 274 A HN 1.751 nan 8.150 nan 0.000 0.400 275 A N 0.882 123.302 122.820 -0.667 0.000 2.413 275 A HA 0.953 5.274 4.320 0.000 0.000 0.307 275 A C -0.382 177.221 177.584 0.032 0.000 1.087 275 A CA -0.108 51.847 52.037 -0.138 0.000 0.750 275 A CB 1.549 20.564 19.000 0.024 0.000 1.296 275 A HN 2.403 nan 8.150 nan 0.000 0.423 276 V N -1.229 118.738 119.914 0.088 0.000 3.087 276 V HA 0.613 4.733 4.120 0.000 0.000 0.306 276 V C -0.664 175.523 176.094 0.155 0.000 1.187 276 V CA -1.232 61.152 62.300 0.140 0.000 0.999 276 V CB 1.456 33.361 31.823 0.136 0.000 1.049 276 V HN 0.906 nan 8.190 nan 0.000 0.431 277 K N 1.862 122.355 120.400 0.156 0.000 2.276 277 K HA 0.660 4.980 4.320 0.000 0.000 0.259 277 K C 0.453 177.147 176.600 0.158 0.000 1.001 277 K CA 0.320 56.689 56.287 0.137 0.000 0.927 277 K CB 1.102 33.674 32.500 0.120 0.000 0.969 277 K HN 1.160 nan 8.250 nan 0.000 0.490 278 A N 3.629 126.499 122.820 0.083 0.000 2.425 278 A HA 0.216 4.537 4.320 0.000 0.000 0.249 278 A C -2.035 175.558 177.584 0.014 0.000 1.084 278 A CA -1.183 50.853 52.037 -0.000 0.000 0.781 278 A CB -0.347 18.639 19.000 -0.024 0.000 1.019 278 A HN 0.466 nan 8.150 nan 0.000 0.490 279 P HA 0.325 nan 4.420 nan 0.000 0.269 279 P C 0.738 178.053 177.300 0.025 0.000 1.209 279 P CA 1.434 64.529 63.100 -0.008 0.000 0.776 279 P CB 0.481 32.051 31.700 -0.216 0.000 0.876 280 G N 2.006 110.873 108.800 0.112 0.000 2.749 280 G HA2 -0.100 3.861 3.960 0.000 0.000 0.242 280 G HA3 -0.100 3.861 3.960 0.000 0.000 0.242 280 G C -0.650 174.392 174.900 0.236 0.000 1.364 280 G CA 0.180 45.376 45.100 0.160 0.000 0.888 280 G HN 0.761 nan 8.290 nan 0.000 0.566 281 F N -2.704 117.260 119.950 0.024 0.000 2.726 281 F HA 0.831 5.358 4.527 0.000 0.000 0.324 281 F C 1.116 176.930 175.800 0.023 0.000 1.140 281 F CA 0.217 58.230 58.000 0.023 0.000 0.964 281 F CB 0.827 39.845 39.000 0.030 0.000 1.399 281 F HN 2.422 nan 8.300 nan 0.000 0.491 282 G N 1.086 109.880 108.800 -0.009 0.000 2.583 282 G HA2 -0.298 3.662 3.960 0.000 0.000 0.292 282 G HA3 -0.298 3.662 3.960 0.000 0.000 0.292 282 G C 0.272 175.092 174.900 -0.133 0.000 1.203 282 G CA 0.702 45.727 45.100 -0.126 0.000 0.987 282 G HN 0.857 nan 8.290 nan 0.000 0.554 283 D N 1.008 121.308 120.400 -0.168 0.000 2.216 283 D HA -0.014 4.627 4.640 0.000 0.000 0.208 283 D C 2.484 178.705 176.300 -0.131 0.000 0.960 283 D CA 1.217 55.149 54.000 -0.112 0.000 0.861 283 D CB -0.199 40.551 40.800 -0.083 0.000 0.985 283 D HN 0.689 nan 8.370 nan 0.000 0.493 284 R N 1.199 121.584 120.500 -0.191 0.000 2.341 284 R HA 0.005 4.345 4.340 0.000 0.000 0.213 284 R C 2.012 178.228 176.300 -0.140 0.000 1.082 284 R CA 0.657 56.657 56.100 -0.167 0.000 1.017 284 R CB -0.245 29.934 30.300 -0.201 0.000 0.860 284 R HN 0.064 nan 8.270 nan 0.000 0.473 285 R N 1.685 122.106 120.500 -0.133 0.000 2.066 285 R HA 0.003 4.343 4.340 0.000 0.000 0.224 285 R C 1.459 177.712 176.300 -0.077 0.000 1.122 285 R CA 1.121 57.170 56.100 -0.085 0.000 0.974 285 R CB 0.032 30.308 30.300 -0.039 0.000 0.871 285 R HN 0.194 nan 8.270 nan 0.000 0.435 286 K N 0.310 120.671 120.400 -0.066 0.000 2.103 286 K HA -0.099 4.222 4.320 0.000 0.000 0.207 286 K C 2.076 178.639 176.600 -0.063 0.000 1.048 286 K CA 1.449 57.703 56.287 -0.055 0.000 0.930 286 K CB -0.115 32.359 32.500 -0.043 0.000 0.716 286 K HN 0.226 nan 8.250 nan 0.000 0.444 287 A N 1.434 124.211 122.820 -0.071 0.000 1.855 287 A HA -0.145 4.176 4.320 0.000 0.000 0.215 287 A C 2.162 179.699 177.584 -0.079 0.000 1.191 287 A CA 1.437 53.432 52.037 -0.070 0.000 0.613 287 A CB -0.455 18.501 19.000 -0.073 0.000 0.829 287 A HN 0.155 nan 8.150 nan 0.000 0.442 288 M N -0.740 118.802 119.600 -0.097 0.000 2.159 288 M HA -0.088 4.393 4.480 0.000 0.000 0.263 288 M C 2.206 178.418 176.300 -0.145 0.000 1.063 288 M CA 1.212 56.439 55.300 -0.121 0.000 1.110 288 M CB -0.455 32.061 32.600 -0.140 0.000 1.374 288 M HN 0.419 nan 8.290 nan 0.000 0.411 289 L N 0.085 121.229 121.223 -0.132 0.000 2.079 289 L HA -0.266 4.074 4.340 0.000 0.000 0.210 289 L C 2.652 179.466 176.870 -0.093 0.000 1.081 289 L CA 1.435 56.199 54.840 -0.127 0.000 0.752 289 L CB -0.271 41.735 42.059 -0.089 0.000 0.896 289 L HN 0.337 nan 8.230 nan 0.000 0.433 290 Q N 0.106 119.862 119.800 -0.073 0.000 2.083 290 Q HA -0.207 4.133 4.340 0.000 0.000 0.198 290 Q C 1.673 177.642 176.000 -0.051 0.000 0.969 290 Q CA 1.851 57.623 55.803 -0.053 0.000 0.838 290 Q CB -0.129 28.582 28.738 -0.044 0.000 0.900 290 Q HN 0.406 nan 8.270 nan 0.000 0.436 291 D N 0.118 120.482 120.400 -0.061 0.000 2.116 291 D HA -0.195 4.445 4.640 0.000 0.000 0.193 291 D C 1.873 178.146 176.300 -0.046 0.000 0.998 291 D CA 1.629 55.598 54.000 -0.051 0.000 0.836 291 D CB -0.307 40.458 40.800 -0.058 0.000 0.951 291 D HN 0.393 nan 8.370 nan 0.000 0.449 292 I N 1.046 121.573 120.570 -0.071 0.000 2.264 292 I HA -0.268 3.903 4.170 0.000 0.000 0.248 292 I C 2.496 178.599 176.117 -0.024 0.000 1.111 292 I CA 1.001 62.268 61.300 -0.055 0.000 1.382 292 I CB -0.309 37.624 38.000 -0.111 0.000 1.060 292 I HN -0.064 nan 8.210 nan 0.000 0.418 293 A N 0.749 123.551 122.820 -0.030 0.000 1.858 293 A HA -0.206 4.114 4.320 0.000 0.000 0.216 293 A C 2.417 179.998 177.584 -0.005 0.000 1.190 293 A CA 2.549 54.578 52.037 -0.013 0.000 0.617 293 A CB -1.169 17.820 19.000 -0.019 0.000 0.827 293 A HN 0.372 nan 8.150 nan 0.000 0.443 294 T N 0.469 115.017 114.554 -0.011 0.000 2.746 294 T HA -0.120 4.230 4.350 0.000 0.000 0.267 294 T C 1.833 176.533 174.700 -0.000 0.000 1.039 294 T CA 1.285 63.381 62.100 -0.006 0.000 1.142 294 T CB -0.319 68.542 68.868 -0.012 0.000 0.866 294 T HN 0.289 nan 8.240 nan 0.000 0.444 295 L N 1.962 123.184 121.223 -0.001 0.000 2.083 295 L HA -0.061 4.279 4.340 0.000 0.000 0.209 295 L C 2.200 179.079 176.870 0.015 0.000 1.083 295 L CA 2.221 57.065 54.840 0.007 0.000 0.752 295 L CB -1.258 40.807 42.059 0.010 0.000 0.899 295 L HN 0.458 nan 8.230 nan 0.000 0.433 296 T N -4.296 110.269 114.554 0.019 0.000 3.069 296 T HA 0.290 4.640 4.350 0.000 0.000 0.252 296 T C 1.229 175.948 174.700 0.032 0.000 1.053 296 T CA 0.337 62.454 62.100 0.028 0.000 0.964 296 T CB 0.040 68.931 68.868 0.039 0.000 1.005 296 T HN 0.507 nan 8.240 nan 0.000 0.532 297 G N 0.519 109.334 108.800 0.023 0.000 2.221 297 G HA2 0.014 3.975 3.960 0.000 0.000 0.265 297 G HA3 0.014 3.975 3.960 0.000 0.000 0.265 297 G C 0.322 175.241 174.900 0.032 0.000 1.041 297 G CA -0.173 44.943 45.100 0.025 0.000 0.807 297 G HN 1.050 nan 8.290 nan 0.000 0.502 298 G N -1.717 107.099 108.800 0.028 0.000 2.597 298 G HA2 0.755 4.715 3.960 0.000 0.000 0.317 298 G HA3 0.755 4.715 3.960 0.000 0.000 0.317 298 G C -0.450 174.455 174.900 0.009 0.000 1.230 298 G CA 0.109 45.225 45.100 0.027 0.000 0.996 298 G HN 0.596 nan 8.290 nan 0.000 0.490 299 T N 0.515 115.070 114.554 0.003 0.000 2.786 299 T HA 0.412 4.762 4.350 0.000 0.000 0.283 299 T C 0.172 174.867 174.700 -0.009 0.000 0.992 299 T CA -0.266 61.831 62.100 -0.005 0.000 0.954 299 T CB 1.557 70.420 68.868 -0.008 0.000 0.934 299 T HN 0.343 nan 8.240 nan 0.000 0.440 300 V N 4.774 124.680 119.914 -0.013 0.000 2.655 300 V HA 0.201 4.321 4.120 0.000 0.000 0.300 300 V C 0.400 176.486 176.094 -0.014 0.000 1.044 300 V CA -0.065 62.225 62.300 -0.016 0.000 1.095 300 V CB 0.309 32.119 31.823 -0.022 0.000 0.952 300 V HN 0.772 nan 8.190 nan 0.000 0.485 301 I N 5.138 125.701 120.570 -0.012 0.000 2.388 301 I HA 0.282 4.452 4.170 0.000 0.000 0.281 301 I C 0.253 176.365 176.117 -0.008 0.000 1.046 301 I CA 0.061 61.355 61.300 -0.011 0.000 1.187 301 I CB 0.972 38.965 38.000 -0.011 0.000 1.351 301 I HN 0.722 nan 8.210 nan 0.000 0.472 302 S N 3.007 118.702 115.700 -0.008 0.000 2.509 302 S HA 0.410 4.881 4.470 0.000 0.000 0.297 302 S C 0.599 175.197 174.600 -0.004 0.000 1.118 302 S CA -0.828 57.368 58.200 -0.006 0.000 1.074 302 S CB 2.244 65.439 63.200 -0.008 0.000 1.038 302 S HN 0.556 nan 8.310 nan 0.000 0.498 303 E N 1.446 121.645 120.200 -0.001 0.000 2.152 303 E HA -0.142 4.209 4.350 0.000 0.000 0.192 303 E C 1.485 178.085 176.600 -0.001 0.000 0.983 303 E CA 1.053 57.453 56.400 -0.000 0.000 0.818 303 E CB -0.075 29.626 29.700 0.003 0.000 0.758 303 E HN 0.799 nan 8.360 nan 0.000 0.467 304 E N 0.959 121.158 120.200 -0.001 0.000 2.048 304 E HA -0.220 4.131 4.350 0.000 0.000 0.202 304 E C 2.022 178.620 176.600 -0.003 0.000 1.021 304 E CA 1.183 57.583 56.400 -0.002 0.000 0.825 304 E CB -0.249 29.450 29.700 -0.003 0.000 0.756 304 E HN 0.301 nan 8.360 nan 0.000 0.454 305 I N 0.002 120.569 120.570 -0.005 0.000 3.083 305 I HA -0.078 4.092 4.170 0.000 0.000 0.273 305 I C 1.330 177.444 176.117 -0.005 0.000 1.297 305 I CA 0.734 62.031 61.300 -0.005 0.000 1.452 305 I CB -0.351 37.645 38.000 -0.007 0.000 1.078 305 I HN 0.347 nan 8.210 nan 0.000 0.484 306 G N 1.108 109.906 108.800 -0.004 0.000 2.130 306 G HA2 -0.250 3.710 3.960 0.000 0.000 0.216 306 G HA3 -0.250 3.710 3.960 0.000 0.000 0.216 306 G C 0.199 175.097 174.900 -0.004 0.000 0.999 306 G CA -0.354 44.744 45.100 -0.003 0.000 0.686 306 G HN 0.243 nan 8.290 nan 0.000 0.515 307 M N 0.224 119.821 119.600 -0.005 0.000 2.255 307 M HA 0.525 5.006 4.480 0.000 0.000 0.336 307 M C 0.424 176.720 176.300 -0.006 0.000 1.135 307 M CA 0.190 55.486 55.300 -0.007 0.000 1.145 307 M CB 0.889 33.484 32.600 -0.009 0.000 1.473 307 M HN 0.243 nan 8.290 nan 0.000 0.462 308 E N 1.300 121.495 120.200 -0.008 0.000 2.256 308 E HA 0.307 4.658 4.350 0.000 0.000 0.267 308 E C 0.142 176.736 176.600 -0.010 0.000 0.892 308 E CA -0.564 55.832 56.400 -0.007 0.000 0.775 308 E CB 2.250 31.946 29.700 -0.006 0.000 1.207 308 E HN 0.635 nan 8.360 nan 0.000 0.420 309 L N 1.394 122.612 121.223 -0.008 0.000 2.109 309 L HA -0.161 4.180 4.340 0.000 0.000 0.207 309 L C 1.665 178.526 176.870 -0.015 0.000 1.086 309 L CA 1.228 56.061 54.840 -0.011 0.000 0.760 309 L CB -0.185 41.870 42.059 -0.006 0.000 0.910 309 L HN 0.560 nan 8.230 nan 0.000 0.437 310 E N 0.403 120.596 120.200 -0.012 0.000 2.209 310 E HA -0.188 4.162 4.350 0.000 0.000 0.196 310 E C 1.432 178.021 176.600 -0.018 0.000 0.993 310 E CA 1.005 57.397 56.400 -0.013 0.000 0.819 310 E CB -0.051 29.643 29.700 -0.009 0.000 0.745 310 E HN 0.344 nan 8.360 nan 0.000 0.477 311 K N 0.205 120.594 120.400 -0.018 0.000 2.446 311 K HA 0.323 4.643 4.320 0.000 0.000 0.203 311 K C -0.165 176.419 176.600 -0.027 0.000 1.027 311 K CA -0.061 56.214 56.287 -0.020 0.000 1.166 311 K CB 0.872 33.363 32.500 -0.015 0.000 0.869 311 K HN -0.001 nan 8.250 nan 0.000 0.504 312 A N 1.952 124.752 122.820 -0.032 0.000 2.320 312 A HA 0.282 4.602 4.320 0.000 0.000 0.287 312 A C 0.430 177.977 177.584 -0.062 0.000 1.181 312 A CA -0.391 51.620 52.037 -0.043 0.000 0.831 312 A CB 0.285 19.259 19.000 -0.042 0.000 1.102 312 A HN 0.241 nan 8.150 nan 0.000 0.513 313 T N 0.171 114.683 114.554 -0.070 0.000 2.948 313 T HA 0.511 4.861 4.350 0.000 0.000 0.285 313 T C 1.162 175.775 174.700 -0.145 0.000 1.019 313 T CA -0.767 61.278 62.100 -0.093 0.000 1.013 313 T CB 0.588 69.415 68.868 -0.067 0.000 1.117 313 T HN 0.354 nan 8.240 nan 0.000 0.533 314 L N -0.011 121.087 121.223 -0.207 0.000 2.129 314 L HA -0.104 4.236 4.340 0.000 0.000 0.212 314 L C 2.866 179.612 176.870 -0.207 0.000 1.087 314 L CA 1.735 56.357 54.840 -0.363 0.000 0.757 314 L CB -0.576 41.238 42.059 -0.408 0.000 0.896 314 L HN 0.872 nan 8.230 nan 0.000 0.434 315 E N -0.036 120.105 120.200 -0.098 0.000 2.338 315 E HA -0.207 4.144 4.350 0.000 0.000 0.197 315 E C 1.340 177.925 176.600 -0.025 0.000 1.007 315 E CA 0.801 57.181 56.400 -0.033 0.000 0.849 315 E CB 0.191 29.879 29.700 -0.019 0.000 0.774 315 E HN 0.480 nan 8.360 nan 0.000 0.506 316 D N -0.116 120.254 120.400 -0.049 0.000 2.289 316 D HA -0.038 4.602 4.640 0.000 0.000 0.207 316 D C 0.095 176.383 176.300 -0.020 0.000 0.966 316 D CA 0.225 54.206 54.000 -0.032 0.000 0.868 316 D CB 0.243 41.019 40.800 -0.040 0.000 0.943 316 D HN 0.123 nan 8.370 nan 0.000 0.514 317 L N 1.068 122.266 121.223 -0.041 0.000 2.426 317 L HA 0.247 4.587 4.340 0.000 0.000 0.271 317 L C 1.517 178.451 176.870 0.107 0.000 1.169 317 L CA 0.091 54.937 54.840 0.010 0.000 0.836 317 L CB 0.636 42.647 42.059 -0.080 0.000 1.112 317 L HN -0.152 nan 8.230 nan 0.000 0.465 318 G N 1.546 110.414 108.800 0.114 0.000 2.516 318 G HA2 0.460 4.420 3.960 0.000 0.000 0.276 318 G HA3 0.460 4.420 3.960 0.000 0.000 0.276 318 G C -0.843 174.156 174.900 0.164 0.000 1.390 318 G CA -0.163 45.003 45.100 0.110 0.000 1.050 318 G HN 0.576 nan 8.290 nan 0.000 0.519 319 Q N -2.529 117.326 119.800 0.092 0.000 2.503 319 Q HA 0.542 4.882 4.340 0.000 0.000 0.268 319 Q C -1.303 174.699 176.000 0.003 0.000 0.982 319 Q CA -0.530 55.297 55.803 0.039 0.000 0.907 319 Q CB 1.960 30.715 28.738 0.028 0.000 1.467 319 Q HN 1.105 nan 8.270 nan 0.000 0.394 320 A N 2.008 124.810 122.820 -0.030 0.000 2.606 320 A HA 0.469 4.789 4.320 0.000 0.000 0.293 320 A C -0.751 176.805 177.584 -0.047 0.000 1.082 320 A CA -0.626 51.398 52.037 -0.022 0.000 0.685 320 A CB 1.553 20.555 19.000 0.002 0.000 1.284 320 A HN 0.772 nan 8.150 nan 0.000 0.408 321 K N -0.453 119.925 120.400 -0.036 0.000 2.228 321 K HA 0.052 4.372 4.320 0.000 0.000 0.202 321 K C 0.665 177.243 176.600 -0.037 0.000 1.051 321 K CA 1.163 57.424 56.287 -0.043 0.000 0.960 321 K CB 0.199 32.680 32.500 -0.031 0.000 0.743 321 K HN 0.540 nan 8.250 nan 0.000 0.458 322 R N 0.146 120.631 120.500 -0.025 0.000 2.633 322 R HA 0.163 4.503 4.340 0.000 0.000 0.255 322 R C -1.953 174.341 176.300 -0.011 0.000 1.106 322 R CA -0.557 55.531 56.100 -0.020 0.000 0.959 322 R CB 1.695 31.985 30.300 -0.017 0.000 1.259 322 R HN -0.046 nan 8.270 nan 0.000 0.453 323 V N 0.811 120.719 119.914 -0.010 0.000 2.735 323 V HA 0.860 4.980 4.120 0.000 0.000 0.310 323 V C -1.336 174.750 176.094 -0.012 0.000 1.061 323 V CA -0.604 61.691 62.300 -0.008 0.000 0.913 323 V CB 2.168 33.992 31.823 0.001 0.000 1.005 323 V HN 0.437 nan 8.190 nan 0.000 0.428 324 V N 5.806 125.706 119.914 -0.024 0.000 2.525 324 V HA 0.554 4.674 4.120 0.000 0.000 0.299 324 V C -0.296 175.776 176.094 -0.037 0.000 1.034 324 V CA -0.269 62.021 62.300 -0.017 0.000 0.863 324 V CB 1.543 33.357 31.823 -0.014 0.000 0.999 324 V HN 0.862 nan 8.190 nan 0.000 0.423 325 I N 4.491 125.063 120.570 0.003 0.000 2.441 325 I HA 0.504 4.675 4.170 0.000 0.000 0.295 325 I C 0.115 176.262 176.117 0.050 0.000 0.994 325 I CA -0.401 60.900 61.300 0.001 0.000 1.144 325 I CB 1.726 39.767 38.000 0.067 0.000 1.314 325 I HN 0.507 nan 8.210 nan 0.000 0.445 326 N N 3.703 122.353 118.700 -0.082 0.000 2.671 326 N HA 0.231 4.971 4.740 0.000 0.000 0.303 326 N C 0.762 175.968 175.510 -0.507 0.000 1.277 326 N CA -0.533 52.440 53.050 -0.129 0.000 0.933 326 N CB 1.362 39.772 38.487 -0.127 0.000 1.190 326 N HN 0.544 nan 8.380 nan 0.000 0.600 327 K N -0.092 120.051 120.400 -0.427 0.000 2.209 327 K HA -0.136 4.185 4.320 0.000 0.000 0.204 327 K C -0.605 175.662 176.600 -0.554 0.000 1.048 327 K CA 1.815 57.717 56.287 -0.642 0.000 0.940 327 K CB 0.023 32.412 32.500 -0.185 0.000 0.729 327 K HN 0.616 nan 8.250 nan 0.000 0.451 328 D N -1.467 118.722 120.400 -0.351 0.000 2.969 328 D HA 0.108 4.748 4.640 0.000 0.000 0.317 328 D C -0.813 175.377 176.300 -0.183 0.000 1.650 328 D CA -0.505 53.354 54.000 -0.235 0.000 0.789 328 D CB 0.548 41.261 40.800 -0.145 0.000 1.277 328 D HN -0.119 nan 8.370 nan 0.000 0.463 329 T N -0.493 113.926 114.554 -0.224 0.000 2.932 329 T HA 0.649 4.999 4.350 0.000 0.000 0.318 329 T C -1.475 173.039 174.700 -0.310 0.000 1.265 329 T CA -0.350 61.612 62.100 -0.229 0.000 1.036 329 T CB 2.051 70.829 68.868 -0.150 0.000 1.209 329 T HN -0.035 nan 8.240 nan 0.000 0.484 330 T N 1.976 116.219 114.554 -0.518 0.000 2.879 330 T HA 0.628 4.978 4.350 0.000 0.000 0.290 330 T C -0.881 173.497 174.700 -0.537 0.000 0.993 330 T CA -0.547 61.189 62.100 -0.606 0.000 0.975 330 T CB 1.632 69.892 68.868 -1.014 0.000 0.981 330 T HN 0.601 nan 8.240 nan 0.000 0.439 331 T N 3.695 118.102 114.554 -0.244 0.000 2.881 331 T HA 0.636 4.986 4.350 0.000 0.000 0.291 331 T C -0.642 174.039 174.700 -0.032 0.000 0.990 331 T CA -0.654 61.380 62.100 -0.110 0.000 0.976 331 T CB 0.163 68.988 68.868 -0.071 0.000 0.970 331 T HN 0.494 nan 8.240 nan 0.000 0.438 332 I N 6.290 126.881 120.570 0.035 0.000 2.325 332 I HA 0.415 4.585 4.170 0.000 0.000 0.291 332 I C -0.129 176.007 176.117 0.031 0.000 1.019 332 I CA -0.704 60.628 61.300 0.053 0.000 1.302 332 I CB 1.118 39.181 38.000 0.107 0.000 1.401 332 I HN 0.553 nan 8.210 nan 0.000 0.485 333 I N 6.003 126.581 120.570 0.014 0.000 2.362 333 I HA 0.251 4.421 4.170 0.000 0.000 0.289 333 I C -0.431 175.687 176.117 0.001 0.000 0.994 333 I CA -0.414 60.889 61.300 0.005 0.000 1.158 333 I CB 1.148 39.145 38.000 -0.004 0.000 1.315 333 I HN 0.570 nan 8.210 nan 0.000 0.451 334 D N 5.061 125.463 120.400 0.003 0.000 3.241 334 D HA -0.108 4.532 4.640 0.000 0.000 0.248 334 D C 0.162 176.462 176.300 0.000 0.000 1.093 334 D CA 0.785 54.785 54.000 -0.001 0.000 0.940 334 D CB -0.230 40.565 40.800 -0.008 0.000 0.980 334 D HN 0.837 nan 8.370 nan 0.000 0.421 335 G N 0.367 109.172 108.800 0.008 0.000 2.432 335 G HA2 0.376 4.336 3.960 0.000 0.000 0.257 335 G HA3 0.376 4.336 3.960 0.000 0.000 0.257 335 G C 1.453 176.357 174.900 0.007 0.000 1.238 335 G CA -0.294 44.813 45.100 0.011 0.000 0.838 335 G HN 0.276 nan 8.290 nan 0.000 0.547 336 V N 2.551 122.470 119.914 0.008 0.000 2.809 336 V HA 0.017 4.137 4.120 0.000 0.000 0.256 336 V C 2.257 178.357 176.094 0.011 0.000 1.080 336 V CA 0.978 63.283 62.300 0.008 0.000 1.102 336 V CB -1.200 30.630 31.823 0.012 0.000 0.705 336 V HN 0.883 nan 8.190 nan 0.000 0.475 337 G N 1.344 110.152 108.800 0.014 0.000 2.238 337 G HA2 -0.060 3.900 3.960 0.000 0.000 0.234 337 G HA3 -0.060 3.900 3.960 0.000 0.000 0.234 337 G C -0.000 174.904 174.900 0.007 0.000 1.181 337 G CA -0.118 44.989 45.100 0.011 0.000 0.871 337 G HN 0.323 nan 8.290 nan 0.000 0.490 338 E N 1.596 121.800 120.200 0.006 0.000 2.384 338 E HA 0.015 4.365 4.350 0.000 0.000 0.266 338 E C 1.421 178.022 176.600 0.002 0.000 1.012 338 E CA -0.232 56.170 56.400 0.004 0.000 0.901 338 E CB 0.969 30.671 29.700 0.004 0.000 0.967 338 E HN 0.624 nan 8.360 nan 0.000 0.435 339 E N 1.996 122.196 120.200 0.001 0.000 2.209 339 E HA -0.222 4.128 4.350 0.000 0.000 0.196 339 E C 1.573 178.173 176.600 -0.001 0.000 0.993 339 E CA 1.169 57.570 56.400 0.000 0.000 0.819 339 E CB 0.114 29.814 29.700 -0.000 0.000 0.745 339 E HN 0.545 nan 8.360 nan 0.000 0.477 340 A N 1.475 124.295 122.820 -0.001 0.000 1.877 340 A HA -0.091 4.229 4.320 0.000 0.000 0.216 340 A C 2.416 179.999 177.584 -0.002 0.000 1.186 340 A CA 1.902 53.938 52.037 -0.001 0.000 0.620 340 A CB -0.516 18.484 19.000 -0.001 0.000 0.822 340 A HN 0.286 nan 8.150 nan 0.000 0.443 341 A N -0.266 122.553 122.820 -0.002 0.000 1.897 341 A HA 0.010 4.330 4.320 0.000 0.000 0.215 341 A C 2.144 179.725 177.584 -0.004 0.000 1.181 341 A CA 1.357 53.392 52.037 -0.003 0.000 0.620 341 A CB -0.561 18.439 19.000 -0.002 0.000 0.821 341 A HN 0.481 nan 8.150 nan 0.000 0.443 342 I N -0.931 119.637 120.570 -0.003 0.000 2.113 342 I HA -0.277 3.893 4.170 0.000 0.000 0.238 342 I C 2.777 178.891 176.117 -0.005 0.000 1.070 342 I CA 1.831 63.129 61.300 -0.004 0.000 1.332 342 I CB -0.375 37.624 38.000 -0.001 0.000 1.044 342 I HN 0.325 nan 8.210 nan 0.000 0.402 343 Q N 1.248 121.046 119.800 -0.004 0.000 2.181 343 Q HA -0.150 4.191 4.340 0.000 0.000 0.205 343 Q C 2.012 178.008 176.000 -0.006 0.000 0.980 343 Q CA 2.039 57.839 55.803 -0.005 0.000 0.862 343 Q CB -0.766 27.970 28.738 -0.004 0.000 0.905 343 Q HN 0.530 nan 8.270 nan 0.000 0.429 344 G N -0.362 108.434 108.800 -0.006 0.000 2.403 344 G HA2 -0.279 3.682 3.960 0.000 0.000 0.216 344 G HA3 -0.279 3.682 3.960 0.000 0.000 0.216 344 G C 1.551 176.445 174.900 -0.009 0.000 1.154 344 G CA 0.741 45.837 45.100 -0.007 0.000 0.784 344 G HN 0.347 nan 8.290 nan 0.000 0.538 345 R N 0.401 120.895 120.500 -0.010 0.000 2.081 345 R HA -0.028 4.312 4.340 0.000 0.000 0.235 345 R C 2.512 178.803 176.300 -0.015 0.000 1.131 345 R CA 1.566 57.658 56.100 -0.014 0.000 0.960 345 R CB -0.885 29.406 30.300 -0.014 0.000 0.856 345 R HN 0.195 nan 8.270 nan 0.000 0.436 346 V N 0.922 120.828 119.914 -0.013 0.000 2.407 346 V HA -0.229 3.891 4.120 0.000 0.000 0.248 346 V C 2.387 178.472 176.094 -0.014 0.000 1.055 346 V CA 1.902 64.194 62.300 -0.014 0.000 1.049 346 V CB -1.017 30.800 31.823 -0.010 0.000 0.662 346 V HN 0.564 nan 8.190 nan 0.000 0.455 347 A N -0.554 122.259 122.820 -0.012 0.000 1.883 347 A HA -0.309 4.012 4.320 0.000 0.000 0.217 347 A C 2.186 179.762 177.584 -0.013 0.000 1.186 347 A CA 2.067 54.098 52.037 -0.011 0.000 0.624 347 A CB -0.536 18.459 19.000 -0.009 0.000 0.822 347 A HN 0.628 nan 8.150 nan 0.000 0.444 348 Q N -0.533 119.258 119.800 -0.014 0.000 2.096 348 Q HA -0.151 4.189 4.340 0.000 0.000 0.204 348 Q C 2.017 178.005 176.000 -0.019 0.000 0.982 348 Q CA 1.695 57.489 55.803 -0.016 0.000 0.850 348 Q CB -0.393 28.335 28.738 -0.017 0.000 0.901 348 Q HN 0.774 nan 8.270 nan 0.000 0.422 349 I N -0.003 120.554 120.570 -0.022 0.000 2.439 349 I HA -0.202 3.968 4.170 0.000 0.000 0.251 349 I C 2.228 178.331 176.117 -0.025 0.000 1.139 349 I CA 0.837 62.121 61.300 -0.027 0.000 1.438 349 I CB -0.187 37.795 38.000 -0.030 0.000 1.085 349 I HN 0.096 nan 8.210 nan 0.000 0.427 350 R N 0.363 120.851 120.500 -0.020 0.000 2.189 350 R HA -0.094 4.247 4.340 0.000 0.000 0.218 350 R C 2.222 178.512 176.300 -0.016 0.000 1.074 350 R CA 0.873 56.962 56.100 -0.018 0.000 0.991 350 R CB -0.018 30.273 30.300 -0.014 0.000 0.883 350 R HN 0.466 nan 8.270 nan 0.000 0.457 351 Q N -0.329 119.462 119.800 -0.015 0.000 2.212 351 Q HA -0.080 4.260 4.340 0.000 0.000 0.199 351 Q C 1.917 177.908 176.000 -0.015 0.000 0.950 351 Q CA 0.678 56.473 55.803 -0.013 0.000 0.863 351 Q CB 0.297 29.028 28.738 -0.012 0.000 0.944 351 Q HN 0.334 nan 8.270 nan 0.000 0.465 352 Q N 0.579 120.368 119.800 -0.019 0.000 2.096 352 Q HA -0.165 4.175 4.340 0.000 0.000 0.204 352 Q C 2.093 178.080 176.000 -0.022 0.000 0.982 352 Q CA 1.169 56.959 55.803 -0.022 0.000 0.850 352 Q CB -0.262 28.459 28.738 -0.029 0.000 0.901 352 Q HN 0.483 nan 8.270 nan 0.000 0.422 353 I N 1.087 121.643 120.570 -0.024 0.000 2.454 353 I HA -0.236 3.935 4.170 0.000 0.000 0.254 353 I C 2.138 178.246 176.117 -0.015 0.000 1.156 353 I CA 0.878 62.165 61.300 -0.023 0.000 1.433 353 I CB -0.241 37.745 38.000 -0.023 0.000 1.082 353 I HN 0.145 nan 8.210 nan 0.000 0.432 354 E N 1.228 121.420 120.200 -0.012 0.000 2.016 354 E HA -0.164 4.186 4.350 0.000 0.000 0.190 354 E C 1.794 178.390 176.600 -0.007 0.000 0.985 354 E CA 1.092 57.487 56.400 -0.008 0.000 0.802 354 E CB -0.397 29.299 29.700 -0.008 0.000 0.762 354 E HN 0.563 nan 8.360 nan 0.000 0.448 355 E N 1.229 121.425 120.200 -0.008 0.000 2.515 355 E HA 0.072 4.423 4.350 0.000 0.000 0.201 355 E C 0.247 176.844 176.600 -0.005 0.000 1.071 355 E CA 0.042 56.438 56.400 -0.006 0.000 0.880 355 E CB -0.016 29.679 29.700 -0.007 0.000 0.828 355 E HN 0.084 nan 8.360 nan 0.000 0.540 356 A N 1.793 124.609 122.820 -0.006 0.000 2.491 356 A HA 0.066 4.386 4.320 0.000 0.000 0.261 356 A C 1.024 178.610 177.584 0.004 0.000 1.101 356 A CA 0.062 52.096 52.037 -0.004 0.000 0.772 356 A CB -0.116 18.878 19.000 -0.010 0.000 1.043 356 A HN 0.192 nan 8.150 nan 0.000 0.501 357 T N -0.333 114.227 114.554 0.010 0.000 3.264 357 T HA 0.491 4.841 4.350 0.000 0.000 0.257 357 T C 0.152 174.867 174.700 0.025 0.000 0.976 357 T CA 0.228 62.337 62.100 0.015 0.000 0.908 357 T CB -0.585 68.291 68.868 0.013 0.000 1.082 357 T HN 1.096 nan 8.240 nan 0.000 0.567 358 S N -0.860 114.858 115.700 0.030 0.000 2.578 358 S HA 0.325 4.795 4.470 0.000 0.000 0.272 358 S C -0.619 174.011 174.600 0.052 0.000 1.145 358 S CA -0.621 57.610 58.200 0.051 0.000 0.835 358 S CB 1.315 64.564 63.200 0.081 0.000 1.104 358 S HN 0.085 nan 8.310 nan 0.000 0.458 359 D N 1.027 121.469 120.400 0.070 0.000 2.162 359 D HA -0.005 4.635 4.640 0.000 0.000 0.205 359 D C 1.364 177.714 176.300 0.083 0.000 0.964 359 D CA 1.125 55.162 54.000 0.062 0.000 0.847 359 D CB -0.218 40.620 40.800 0.064 0.000 0.988 359 D HN 0.608 nan 8.370 nan 0.000 0.480 360 Y N 2.560 122.862 120.300 0.003 0.000 2.089 360 Y HA -0.229 4.322 4.550 0.000 0.000 0.282 360 Y C 1.515 177.413 175.900 -0.003 0.000 1.139 360 Y CA 1.968 60.070 58.100 0.004 0.000 1.123 360 Y CB -0.474 37.990 38.460 0.006 0.000 0.980 360 Y HN -0.169 nan 8.280 nan 0.000 0.493 361 D N -0.382 120.010 120.400 -0.014 0.000 2.228 361 D HA -0.193 4.447 4.640 0.000 0.000 0.203 361 D C 2.195 178.415 176.300 -0.134 0.000 0.988 361 D CA 1.548 55.480 54.000 -0.113 0.000 0.864 361 D CB -0.262 40.544 40.800 0.010 0.000 0.928 361 D HN 0.344 nan 8.370 nan 0.000 0.469 362 R N 0.384 120.836 120.500 -0.080 0.000 2.062 362 R HA -0.085 4.256 4.340 0.000 0.000 0.226 362 R C 1.658 177.903 176.300 -0.092 0.000 1.125 362 R CA 0.884 56.945 56.100 -0.064 0.000 0.966 362 R CB 0.189 30.474 30.300 -0.025 0.000 0.861 362 R HN 0.028 nan 8.270 nan 0.000 0.433 363 E N 0.861 120.993 120.200 -0.114 0.000 2.110 363 E HA -0.175 4.175 4.350 0.000 0.000 0.193 363 E C 1.810 178.312 176.600 -0.162 0.000 0.988 363 E CA 0.987 57.319 56.400 -0.113 0.000 0.804 363 E CB -0.045 29.601 29.700 -0.089 0.000 0.745 363 E HN 0.186 nan 8.360 nan 0.000 0.458 364 K N 0.624 120.855 120.400 -0.282 0.000 2.097 364 K HA -0.014 4.306 4.320 0.000 0.000 0.205 364 K C 2.376 178.880 176.600 -0.160 0.000 1.050 364 K CA 0.516 56.641 56.287 -0.270 0.000 0.938 364 K CB -0.413 31.835 32.500 -0.419 0.000 0.718 364 K HN 0.200 nan 8.250 nan 0.000 0.442 365 L N 0.908 122.049 121.223 -0.136 0.000 2.109 365 L HA -0.160 4.180 4.340 0.000 0.000 0.207 365 L C 2.541 179.371 176.870 -0.066 0.000 1.086 365 L CA 1.081 55.867 54.840 -0.089 0.000 0.760 365 L CB -0.340 41.675 42.059 -0.074 0.000 0.910 365 L HN 0.206 nan 8.230 nan 0.000 0.437 366 Q N -0.121 119.641 119.800 -0.063 0.000 2.084 366 Q HA -0.223 4.117 4.340 0.000 0.000 0.202 366 Q C 2.078 178.055 176.000 -0.037 0.000 0.978 366 Q CA 1.399 57.177 55.803 -0.043 0.000 0.844 366 Q CB -0.098 28.618 28.738 -0.036 0.000 0.898 366 Q HN 0.526 nan 8.270 nan 0.000 0.426 367 E N 0.663 120.835 120.200 -0.047 0.000 2.058 367 E HA -0.213 4.138 4.350 0.000 0.000 0.194 367 E C 2.081 178.666 176.600 -0.025 0.000 0.997 367 E CA 1.005 57.386 56.400 -0.032 0.000 0.801 367 E CB -0.033 29.644 29.700 -0.040 0.000 0.746 367 E HN 0.264 nan 8.360 nan 0.000 0.450 368 R N 0.312 120.789 120.500 -0.039 0.000 2.073 368 R HA -0.140 4.201 4.340 0.000 0.000 0.234 368 R C 2.720 179.006 176.300 -0.024 0.000 1.134 368 R CA 1.641 57.720 56.100 -0.034 0.000 0.952 368 R CB -0.619 29.651 30.300 -0.049 0.000 0.850 368 R HN 0.207 nan 8.270 nan 0.000 0.433 369 V N -1.433 118.466 119.914 -0.025 0.000 2.358 369 V HA -0.105 4.016 4.120 0.000 0.000 0.246 369 V C 2.321 178.408 176.094 -0.010 0.000 1.047 369 V CA 1.685 63.974 62.300 -0.018 0.000 1.035 369 V CB -1.100 30.712 31.823 -0.019 0.000 0.658 369 V HN 0.274 nan 8.190 nan 0.000 0.452 370 A N 0.687 123.501 122.820 -0.010 0.000 1.917 370 A HA -0.270 4.050 4.320 0.000 0.000 0.219 370 A C 2.340 179.926 177.584 0.003 0.000 1.182 370 A CA 2.607 54.642 52.037 -0.003 0.000 0.633 370 A CB -0.660 18.338 19.000 -0.003 0.000 0.819 370 A HN 0.656 nan 8.150 nan 0.000 0.448 371 K N -1.307 119.097 120.400 0.006 0.000 2.001 371 K HA -0.054 4.266 4.320 0.000 0.000 0.208 371 K C 1.942 178.551 176.600 0.015 0.000 1.048 371 K CA 1.287 57.585 56.287 0.018 0.000 0.932 371 K CB -0.350 32.166 32.500 0.027 0.000 0.715 371 K HN 0.325 nan 8.250 nan 0.000 0.437 372 L N 0.803 122.029 121.223 0.005 0.000 2.046 372 L HA -0.122 4.218 4.340 0.000 0.000 0.208 372 L C 2.133 179.004 176.870 0.002 0.000 1.077 372 L CA 1.823 56.664 54.840 0.002 0.000 0.747 372 L CB -0.678 41.377 42.059 -0.007 0.000 0.896 372 L HN 0.163 nan 8.230 nan 0.000 0.432 373 A N -1.425 121.395 122.820 -0.001 0.000 1.935 373 A HA 0.120 4.441 4.320 0.000 0.000 0.214 373 A C 2.299 179.883 177.584 0.001 0.000 1.178 373 A CA 0.939 52.975 52.037 -0.001 0.000 0.640 373 A CB -1.190 17.808 19.000 -0.004 0.000 0.825 373 A HN 0.444 nan 8.150 nan 0.000 0.447 374 G N -0.642 108.160 108.800 0.003 0.000 2.432 374 G HA2 0.301 4.261 3.960 0.000 0.000 0.219 374 G HA3 0.301 4.261 3.960 0.000 0.000 0.219 374 G C 1.244 176.146 174.900 0.005 0.000 1.135 374 G CA 0.921 46.023 45.100 0.004 0.000 0.767 374 G HN 1.675 nan 8.290 nan 0.000 0.550 375 G N -1.742 107.063 108.800 0.008 0.000 2.598 375 G HA2 -0.006 3.954 3.960 0.000 0.000 0.244 375 G HA3 -0.006 3.954 3.960 0.000 0.000 0.244 375 G C -0.606 174.299 174.900 0.008 0.000 1.302 375 G CA -0.153 44.952 45.100 0.008 0.000 0.903 375 G HN 1.119 nan 8.290 nan 0.000 0.575 376 V N 0.176 120.093 119.914 0.004 0.000 2.668 376 V HA 0.704 4.824 4.120 0.000 0.000 0.304 376 V C 0.608 176.699 176.094 -0.005 0.000 1.071 376 V CA -0.084 62.217 62.300 0.001 0.000 0.894 376 V CB 1.415 33.239 31.823 0.003 0.000 1.008 376 V HN 2.161 nan 8.190 nan 0.000 0.425 377 A N 4.456 127.271 122.820 -0.009 0.000 2.362 377 A HA 0.707 5.027 4.320 0.000 0.000 0.276 377 A C -0.409 177.166 177.584 -0.016 0.000 1.153 377 A CA -0.246 51.784 52.037 -0.012 0.000 0.813 377 A CB 0.586 19.578 19.000 -0.014 0.000 1.081 377 A HN 0.801 nan 8.150 nan 0.000 0.507 378 V N 5.204 125.109 119.914 -0.014 0.000 2.334 378 V HA 0.271 4.391 4.120 0.000 0.000 0.281 378 V C -0.121 175.963 176.094 -0.017 0.000 1.016 378 V CA -0.131 62.160 62.300 -0.016 0.000 0.832 378 V CB 0.926 32.741 31.823 -0.013 0.000 0.999 378 V HN 0.738 nan 8.190 nan 0.000 0.439 379 I N 5.181 125.738 120.570 -0.021 0.000 2.315 379 I HA 0.362 4.533 4.170 0.000 0.000 0.291 379 I C 0.295 176.401 176.117 -0.018 0.000 1.006 379 I CA -0.348 60.939 61.300 -0.021 0.000 1.265 379 I CB 0.994 38.978 38.000 -0.026 0.000 1.387 379 I HN 0.481 nan 8.210 nan 0.000 0.475 380 K N 6.144 126.535 120.400 -0.015 0.000 2.299 380 K HA 0.376 4.697 4.320 0.000 0.000 0.268 380 K C -0.638 175.955 176.600 -0.012 0.000 1.075 380 K CA -0.637 55.643 56.287 -0.013 0.000 0.936 380 K CB 1.658 34.151 32.500 -0.011 0.000 1.228 380 K HN 0.338 nan 8.250 nan 0.000 0.454 381 V N 3.022 122.929 119.914 -0.012 0.000 2.694 381 V HA -0.073 4.047 4.120 0.000 0.000 0.306 381 V C 1.520 177.609 176.094 -0.008 0.000 1.054 381 V CA 0.380 62.673 62.300 -0.011 0.000 1.161 381 V CB 0.509 32.326 31.823 -0.010 0.000 0.916 381 V HN 0.955 nan 8.190 nan 0.000 0.490 382 G N 3.011 111.807 108.800 -0.008 0.000 2.413 382 G HA2 0.423 4.383 3.960 0.000 0.000 0.300 382 G HA3 0.423 4.383 3.960 0.000 0.000 0.300 382 G C 0.311 175.208 174.900 -0.006 0.000 1.370 382 G CA 0.540 45.636 45.100 -0.007 0.000 1.110 382 G HN 1.283 nan 8.290 nan 0.000 0.596 383 A N -2.971 119.846 122.820 -0.005 0.000 3.117 383 A HA 0.846 5.166 4.320 0.000 0.000 0.158 383 A C 0.430 178.012 177.584 -0.003 0.000 1.138 383 A CA 0.982 53.016 52.037 -0.004 0.000 2.059 383 A CB -0.439 18.559 19.000 -0.004 0.000 2.607 383 A HN 2.628 nan 8.150 nan 0.000 1.059 384 A N -0.461 122.358 122.820 -0.003 0.000 2.419 384 A HA 0.548 4.868 4.320 0.000 0.000 0.262 384 A C 1.036 178.618 177.584 -0.002 0.000 1.352 384 A CA 1.291 53.327 52.037 -0.003 0.000 0.709 384 A CB -2.629 16.370 19.000 -0.003 0.000 1.150 384 A HN 3.515 nan 8.150 nan 0.000 0.329 385 T N -1.597 112.955 114.554 -0.002 0.000 0.552 385 T HA -0.084 4.267 4.350 0.000 0.000 0.773 385 T C 0.320 175.019 174.700 -0.002 0.000 0.992 385 T CA 1.487 63.586 62.100 -0.002 0.000 4.070 385 T CB -1.209 67.658 68.868 -0.001 0.000 2.299 385 T HN 1.990 nan 8.240 nan 0.000 0.397 386 E N 1.454 121.654 120.200 -0.001 0.000 2.171 386 E HA -0.138 4.212 4.350 0.000 0.000 0.197 386 E C 1.987 178.587 176.600 -0.000 0.000 0.997 386 E CA 2.099 58.498 56.400 -0.001 0.000 0.810 386 E CB -0.102 29.597 29.700 -0.001 0.000 0.738 386 E HN 0.676 nan 8.360 nan 0.000 0.467 387 V N 1.039 120.953 119.914 -0.000 0.000 2.244 387 V HA -0.230 3.890 4.120 0.000 0.000 0.244 387 V C 2.115 178.209 176.094 0.000 0.000 1.042 387 V CA 2.132 64.432 62.300 0.000 0.000 1.006 387 V CB -0.637 31.186 31.823 0.000 0.000 0.641 387 V HN 0.261 nan 8.190 nan 0.000 0.446 388 E N -0.200 119.999 120.200 -0.001 0.000 2.118 388 E HA -0.256 4.094 4.350 0.000 0.000 0.195 388 E C 2.201 178.800 176.600 -0.001 0.000 0.992 388 E CA 1.490 57.889 56.400 -0.001 0.000 0.804 388 E CB -0.267 29.432 29.700 -0.002 0.000 0.741 388 E HN 0.420 nan 8.360 nan 0.000 0.458 389 M N 1.103 120.702 119.600 -0.002 0.000 2.080 389 M HA -0.186 4.294 4.480 0.000 0.000 0.260 389 M C 1.687 177.986 176.300 -0.002 0.000 1.068 389 M CA 1.584 56.882 55.300 -0.002 0.000 1.109 389 M CB -0.159 32.440 32.600 -0.003 0.000 1.342 389 M HN -0.101 nan 8.290 nan 0.000 0.405 390 K N 0.098 120.498 120.400 -0.000 0.000 2.148 390 K HA -0.134 4.186 4.320 0.000 0.000 0.204 390 K C 1.875 178.476 176.600 0.002 0.000 1.050 390 K CA 1.030 57.318 56.287 0.001 0.000 0.942 390 K CB -0.583 31.919 32.500 0.002 0.000 0.724 390 K HN 0.511 nan 8.250 nan 0.000 0.446 391 E N 1.769 121.970 120.200 0.001 0.000 2.107 391 E HA -0.174 4.177 4.350 0.000 0.000 0.191 391 E C 1.916 178.517 176.600 0.001 0.000 0.982 391 E CA 1.088 57.489 56.400 0.002 0.000 0.809 391 E CB 0.140 29.840 29.700 0.001 0.000 0.756 391 E HN 0.204 nan 8.360 nan 0.000 0.459 392 K N 1.021 121.421 120.400 -0.001 0.000 2.062 392 K HA -0.141 4.179 4.320 0.000 0.000 0.205 392 K C 2.361 178.959 176.600 -0.003 0.000 1.051 392 K CA 1.266 57.552 56.287 -0.002 0.000 0.941 392 K CB -0.085 32.412 32.500 -0.004 0.000 0.719 392 K HN -0.073 nan 8.250 nan 0.000 0.440 393 K N 0.217 120.615 120.400 -0.003 0.000 2.152 393 K HA -0.162 4.158 4.320 0.000 0.000 0.206 393 K C 1.853 178.453 176.600 -0.001 0.000 1.048 393 K CA 1.299 57.583 56.287 -0.005 0.000 0.933 393 K CB -0.140 32.359 32.500 -0.003 0.000 0.721 393 K HN 0.245 nan 8.250 nan 0.000 0.447 394 A N 1.372 124.195 122.820 0.005 0.000 1.873 394 A HA -0.116 4.205 4.320 0.000 0.000 0.215 394 A C 2.055 179.647 177.584 0.014 0.000 1.186 394 A CA 1.214 53.258 52.037 0.013 0.000 0.616 394 A CB -0.404 18.604 19.000 0.013 0.000 0.823 394 A HN 0.313 nan 8.150 nan 0.000 0.442 395 R N -0.541 119.963 120.500 0.007 0.000 2.096 395 R HA -0.092 4.248 4.340 0.000 0.000 0.235 395 R C 2.006 178.307 176.300 0.001 0.000 1.127 395 R CA 1.446 57.549 56.100 0.006 0.000 0.968 395 R CB -0.584 29.717 30.300 0.002 0.000 0.861 395 R HN 0.402 nan 8.270 nan 0.000 0.440 396 V N 1.016 120.925 119.914 -0.008 0.000 2.307 396 V HA -0.232 3.888 4.120 0.000 0.000 0.245 396 V C 2.065 178.135 176.094 -0.040 0.000 1.045 396 V CA 1.814 64.100 62.300 -0.022 0.000 1.024 396 V CB -0.432 31.376 31.823 -0.025 0.000 0.651 396 V HN 0.321 nan 8.190 nan 0.000 0.449 397 E N -0.179 120.001 120.200 -0.034 0.000 2.085 397 E HA -0.239 4.112 4.350 0.000 0.000 0.194 397 E C 1.990 178.570 176.600 -0.033 0.000 0.994 397 E CA 1.572 57.934 56.400 -0.064 0.000 0.801 397 E CB -0.081 29.619 29.700 -0.001 0.000 0.743 397 E HN 0.617 nan 8.360 nan 0.000 0.453 398 D N -0.213 120.220 120.400 0.056 0.000 2.091 398 D HA -0.109 4.532 4.640 0.000 0.000 0.199 398 D C 1.924 178.264 176.300 0.066 0.000 0.980 398 D CA 1.193 55.264 54.000 0.118 0.000 0.831 398 D CB -0.292 40.554 40.800 0.076 0.000 0.987 398 D HN 0.173 nan 8.370 nan 0.000 0.460 399 A N 1.138 123.970 122.820 0.019 0.000 1.948 399 A HA -0.199 4.121 4.320 0.000 0.000 0.220 399 A C 2.178 179.754 177.584 -0.013 0.000 1.177 399 A CA 1.155 53.195 52.037 0.005 0.000 0.636 399 A CB -0.736 18.260 19.000 -0.006 0.000 0.815 399 A HN 0.216 nan 8.150 nan 0.000 0.449 400 L N -0.660 120.524 121.223 -0.065 0.000 1.994 400 L HA -0.182 4.158 4.340 0.000 0.000 0.208 400 L C 2.448 179.261 176.870 -0.096 0.000 1.071 400 L CA 2.331 57.099 54.840 -0.119 0.000 0.745 400 L CB -0.871 41.055 42.059 -0.221 0.000 0.892 400 L HN 0.533 nan 8.230 nan 0.000 0.431 401 H N -0.456 118.613 119.070 -0.003 0.000 2.352 401 H HA -0.102 4.454 4.556 0.000 0.000 0.299 401 H C 2.104 177.432 175.328 0.000 0.000 1.097 401 H CA 1.526 57.573 56.048 -0.002 0.000 1.311 401 H CB -0.525 29.234 29.762 -0.004 0.000 1.377 401 H HN 0.515 nan 8.280 nan 0.000 0.504 402 A N 0.485 123.380 122.820 0.124 0.000 1.877 402 A HA -0.150 4.170 4.320 0.000 0.000 0.216 402 A C 2.653 180.263 177.584 0.043 0.000 1.186 402 A CA 2.112 54.191 52.037 0.069 0.000 0.620 402 A CB -0.849 18.180 19.000 0.048 0.000 0.822 402 A HN 0.413 nan 8.150 nan 0.000 0.443 403 T N -0.666 113.905 114.554 0.028 0.000 2.777 403 T HA -0.125 4.225 4.350 0.000 0.000 0.266 403 T C 2.092 176.802 174.700 0.018 0.000 1.040 403 T CA 1.622 63.731 62.100 0.014 0.000 1.141 403 T CB -0.221 68.647 68.868 -0.000 0.000 0.868 403 T HN 0.475 nan 8.240 nan 0.000 0.444 404 R N 1.817 122.331 120.500 0.022 0.000 2.091 404 R HA 0.025 4.365 4.340 0.000 0.000 0.238 404 R C 2.367 178.688 176.300 0.035 0.000 1.136 404 R CA 1.802 57.918 56.100 0.027 0.000 0.959 404 R CB -0.953 29.370 30.300 0.039 0.000 0.856 404 R HN 0.361 nan 8.270 nan 0.000 0.437 405 A N -0.056 122.792 122.820 0.046 0.000 1.898 405 A HA 0.041 4.362 4.320 0.000 0.000 0.216 405 A C 2.339 179.941 177.584 0.030 0.000 1.181 405 A CA 1.545 53.607 52.037 0.041 0.000 0.620 405 A CB -0.956 18.071 19.000 0.046 0.000 0.819 405 A HN 0.471 nan 8.150 nan 0.000 0.442 406 A N -0.591 122.245 122.820 0.027 0.000 1.972 406 A HA 0.011 4.332 4.320 0.000 0.000 0.219 406 A C 2.138 179.733 177.584 0.018 0.000 1.169 406 A CA 1.708 53.757 52.037 0.021 0.000 0.635 406 A CB -0.745 18.266 19.000 0.018 0.000 0.810 406 A HN 0.374 nan 8.150 nan 0.000 0.446 407 V N -0.147 119.778 119.914 0.017 0.000 2.667 407 V HA -0.199 3.921 4.120 0.000 0.000 0.252 407 V C 2.285 178.388 176.094 0.016 0.000 1.065 407 V CA 2.077 64.385 62.300 0.014 0.000 1.083 407 V CB -0.600 31.230 31.823 0.012 0.000 0.692 407 V HN 0.636 nan 8.190 nan 0.000 0.468 408 E N -0.226 119.985 120.200 0.019 0.000 2.122 408 E HA -0.078 4.272 4.350 0.000 0.000 0.190 408 E C 1.376 177.987 176.600 0.018 0.000 0.977 408 E CA 0.975 57.387 56.400 0.020 0.000 0.820 408 E CB 0.152 29.866 29.700 0.024 0.000 0.770 408 E HN 0.649 nan 8.360 nan 0.000 0.462 409 E N -0.714 119.497 120.200 0.018 0.000 2.789 409 E HA 0.224 4.574 4.350 0.000 0.000 0.217 409 E C 0.170 176.779 176.600 0.016 0.000 0.970 409 E CA 0.080 56.489 56.400 0.017 0.000 1.201 409 E CB 1.694 31.404 29.700 0.017 0.000 1.069 409 E HN 0.218 nan 8.360 nan 0.000 0.499 410 G N 1.288 110.098 108.800 0.016 0.000 2.681 410 G HA2 -0.212 3.748 3.960 0.000 0.000 0.220 410 G HA3 -0.212 3.748 3.960 0.000 0.000 0.220 410 G C -0.262 174.648 174.900 0.016 0.000 1.353 410 G CA -0.416 44.693 45.100 0.015 0.000 0.872 410 G HN 0.559 nan 8.290 nan 0.000 0.557 411 V N -2.722 117.201 119.914 0.015 0.000 3.102 411 V HA 0.991 5.111 4.120 0.000 0.000 0.312 411 V C 0.490 176.593 176.094 0.016 0.000 1.135 411 V CA 0.137 62.446 62.300 0.015 0.000 1.022 411 V CB 1.437 33.268 31.823 0.014 0.000 1.056 411 V HN 2.461 nan 8.190 nan 0.000 0.436 412 V N -1.054 118.869 119.914 0.016 0.000 3.181 412 V HA 0.986 5.107 4.120 0.000 0.000 0.308 412 V C 0.414 176.518 176.094 0.016 0.000 1.214 412 V CA -0.757 61.554 62.300 0.018 0.000 1.053 412 V CB 1.259 33.093 31.823 0.019 0.000 1.069 412 V HN 2.085 nan 8.190 nan 0.000 0.441 413 A N 1.188 124.020 122.820 0.019 0.000 2.515 413 A HA 0.608 4.929 4.320 0.000 0.000 0.263 413 A C 0.942 178.532 177.584 0.009 0.000 1.096 413 A CA 0.704 52.749 52.037 0.014 0.000 0.769 413 A CB -0.772 18.241 19.000 0.021 0.000 1.040 413 A HN 1.896 nan 8.150 nan 0.000 0.505 414 G N 1.434 110.235 108.800 0.001 0.000 2.514 414 G HA2 0.486 4.446 3.960 0.000 0.000 0.245 414 G HA3 0.486 4.446 3.960 0.000 0.000 0.245 414 G C 1.232 176.129 174.900 -0.004 0.000 1.488 414 G CA -0.017 45.083 45.100 -0.000 0.000 1.063 414 G HN 2.201 nan 8.290 nan 0.000 0.557 415 G N -2.091 106.706 108.800 -0.006 0.000 2.187 415 G HA2 0.193 4.153 3.960 0.000 0.000 0.261 415 G HA3 0.193 4.153 3.960 0.000 0.000 0.261 415 G C 1.553 176.460 174.900 0.012 0.000 1.000 415 G CA 1.274 46.372 45.100 -0.003 0.000 0.718 415 G HN 2.476 nan 8.290 nan 0.000 0.519 416 G N -2.377 106.429 108.800 0.011 0.000 2.162 416 G HA2 -0.106 3.855 3.960 0.000 0.000 0.260 416 G HA3 -0.106 3.855 3.960 0.000 0.000 0.260 416 G C 1.860 176.771 174.900 0.018 0.000 0.976 416 G CA 1.923 47.032 45.100 0.015 0.000 0.655 416 G HN 2.228 nan 8.290 nan 0.000 0.533 417 V N -1.882 118.043 119.914 0.017 0.000 2.719 417 V HA 0.438 4.558 4.120 0.000 0.000 0.252 417 V C 2.741 178.852 176.094 0.028 0.000 1.065 417 V CA 1.896 64.209 62.300 0.023 0.000 1.086 417 V CB -0.537 31.295 31.823 0.015 0.000 0.700 417 V HN 1.385 nan 8.190 nan 0.000 0.467 418 A N 0.800 123.635 122.820 0.024 0.000 1.883 418 A HA -0.087 4.234 4.320 0.000 0.000 0.217 418 A C 2.249 179.849 177.584 0.025 0.000 1.186 418 A CA 2.289 54.342 52.037 0.026 0.000 0.624 418 A CB -0.740 18.273 19.000 0.022 0.000 0.822 418 A HN 0.588 nan 8.150 nan 0.000 0.444 419 L N -0.983 120.253 121.223 0.022 0.000 2.017 419 L HA -0.150 4.190 4.340 0.000 0.000 0.208 419 L C 2.551 179.435 176.870 0.022 0.000 1.073 419 L CA 1.587 56.439 54.840 0.020 0.000 0.745 419 L CB -0.326 41.744 42.059 0.018 0.000 0.894 419 L HN 0.534 nan 8.230 nan 0.000 0.432 420 I N -0.442 120.143 120.570 0.025 0.000 2.394 420 I HA -0.299 3.871 4.170 0.000 0.000 0.251 420 I C 2.755 178.893 176.117 0.035 0.000 1.136 420 I CA 0.949 62.265 61.300 0.028 0.000 1.425 420 I CB 0.013 38.031 38.000 0.029 0.000 1.079 420 I HN 0.191 nan 8.210 nan 0.000 0.425 421 R N 0.453 120.978 120.500 0.041 0.000 2.066 421 R HA -0.121 4.219 4.340 0.000 0.000 0.232 421 R C 2.042 178.365 176.300 0.037 0.000 1.131 421 R CA 2.138 58.267 56.100 0.049 0.000 0.955 421 R CB -1.111 29.222 30.300 0.056 0.000 0.851 421 R HN 0.257 nan 8.270 nan 0.000 0.432 422 V N 0.857 120.789 119.914 0.030 0.000 2.332 422 V HA -0.224 3.896 4.120 0.000 0.000 0.248 422 V C 2.273 178.379 176.094 0.020 0.000 1.055 422 V CA 2.049 64.362 62.300 0.023 0.000 1.038 422 V CB -0.741 31.093 31.823 0.019 0.000 0.651 422 V HN 0.591 nan 8.190 nan 0.000 0.450 423 A N 0.134 122.966 122.820 0.020 0.000 1.930 423 A HA -0.179 4.142 4.320 0.000 0.000 0.217 423 A C 2.514 180.109 177.584 0.018 0.000 1.175 423 A CA 1.935 53.983 52.037 0.017 0.000 0.627 423 A CB -0.765 18.244 19.000 0.016 0.000 0.815 423 A HN 0.711 nan 8.150 nan 0.000 0.443 424 S N 0.121 115.836 115.700 0.024 0.000 2.440 424 S HA -0.179 4.291 4.470 0.000 0.000 0.238 424 S C 1.602 176.214 174.600 0.021 0.000 1.010 424 S CA 1.589 59.804 58.200 0.025 0.000 0.972 424 S CB -0.381 62.840 63.200 0.034 0.000 0.774 424 S HN 0.635 nan 8.310 nan 0.000 0.501 425 K N 0.538 120.950 120.400 0.020 0.000 2.361 425 K HA 0.279 4.599 4.320 0.000 0.000 0.196 425 K C 0.945 177.553 176.600 0.012 0.000 1.039 425 K CA 0.351 56.648 56.287 0.016 0.000 1.001 425 K CB -0.105 32.405 32.500 0.017 0.000 0.795 425 K HN 0.426 nan 8.250 nan 0.000 0.495 426 L N 0.735 121.965 121.223 0.011 0.000 2.728 426 L HA 0.211 4.552 4.340 0.000 0.000 0.235 426 L C 1.748 178.622 176.870 0.008 0.000 1.197 426 L CA -0.315 54.530 54.840 0.009 0.000 0.992 426 L CB -0.070 41.993 42.059 0.008 0.000 1.263 426 L HN 0.051 nan 8.230 nan 0.000 0.484 427 A N -0.083 122.742 122.820 0.008 0.000 2.076 427 A HA -0.181 4.140 4.320 0.000 0.000 0.220 427 A C 1.559 179.147 177.584 0.005 0.000 1.160 427 A CA 1.588 53.629 52.037 0.007 0.000 0.653 427 A CB -0.174 18.830 19.000 0.008 0.000 0.801 427 A HN 0.392 nan 8.150 nan 0.000 0.455 428 D N -1.324 119.079 120.400 0.005 0.000 2.398 428 D HA 0.162 4.802 4.640 0.000 0.000 0.210 428 D C 0.175 176.477 176.300 0.003 0.000 1.094 428 D CA -0.311 53.691 54.000 0.004 0.000 0.839 428 D CB -0.001 40.801 40.800 0.003 0.000 0.963 428 D HN 0.344 nan 8.370 nan 0.000 0.506 429 L N 2.098 123.323 121.223 0.003 0.000 2.540 429 L HA 0.050 4.390 4.340 0.000 0.000 0.276 429 L C 0.154 177.026 176.870 0.002 0.000 1.212 429 L CA 0.657 55.498 54.840 0.003 0.000 0.893 429 L CB 0.130 42.191 42.059 0.003 0.000 1.138 429 L HN -0.218 nan 8.230 nan 0.000 0.491 430 R N 3.185 123.686 120.500 0.002 0.000 2.867 430 R HA 0.697 5.037 4.340 0.000 0.000 0.268 430 R C -0.138 176.162 176.300 0.001 0.000 1.014 430 R CA -0.308 55.793 56.100 0.001 0.000 0.946 430 R CB 1.481 31.782 30.300 0.001 0.000 1.208 430 R HN 0.802 nan 8.270 nan 0.000 0.477 431 G N -0.350 108.451 108.800 0.001 0.000 3.008 431 G HA2 0.206 4.167 3.960 0.000 0.000 0.181 431 G HA3 0.206 4.167 3.960 0.000 0.000 0.181 431 G C 0.046 174.947 174.900 0.000 0.000 1.309 431 G CA -0.194 44.906 45.100 0.000 0.000 1.009 431 G HN 0.415 nan 8.290 nan 0.000 0.584 432 Q N -0.562 119.239 119.800 0.000 0.000 2.376 432 Q HA 0.145 4.485 4.340 0.000 0.000 0.206 432 Q C -0.009 175.992 176.000 0.000 0.000 0.921 432 Q CA 0.661 56.465 55.803 0.000 0.000 0.911 432 Q CB 0.217 28.955 28.738 0.000 0.000 1.032 432 Q HN 0.623 nan 8.270 nan 0.000 0.510 433 N N -2.070 116.631 118.700 0.001 0.000 3.039 433 N HA 0.083 4.824 4.740 0.000 0.000 0.257 433 N C -0.092 175.418 175.510 0.001 0.000 1.497 433 N CA -0.616 52.435 53.050 0.001 0.000 0.861 433 N CB 0.462 38.949 38.487 0.001 0.000 1.479 433 N HN -0.361 nan 8.380 nan 0.000 0.547 434 E N -0.185 120.016 120.200 0.001 0.000 2.110 434 E HA -0.132 4.218 4.350 0.000 0.000 0.193 434 E C 0.314 176.915 176.600 0.001 0.000 0.988 434 E CA 1.145 57.545 56.400 0.001 0.000 0.804 434 E CB -0.287 29.414 29.700 0.001 0.000 0.745 434 E HN 0.564 nan 8.360 nan 0.000 0.458 435 D N 0.540 120.940 120.400 0.001 0.000 2.097 435 D HA -0.158 4.482 4.640 0.000 0.000 0.195 435 D C 1.981 178.282 176.300 0.002 0.000 0.989 435 D CA 0.915 54.917 54.000 0.002 0.000 0.827 435 D CB -0.194 40.607 40.800 0.002 0.000 0.966 435 D HN 0.273 nan 8.370 nan 0.000 0.456 436 Q N 0.112 119.913 119.800 0.002 0.000 2.124 436 Q HA -0.117 4.223 4.340 0.000 0.000 0.202 436 Q C 1.849 177.850 176.000 0.002 0.000 0.977 436 Q CA 0.769 56.573 55.803 0.002 0.000 0.850 436 Q CB 0.051 28.790 28.738 0.001 0.000 0.901 436 Q HN 0.248 nan 8.270 nan 0.000 0.429 437 N N -0.215 118.486 118.700 0.002 0.000 2.120 437 N HA -0.123 4.618 4.740 0.000 0.000 0.188 437 N C 1.834 177.345 175.510 0.002 0.000 1.024 437 N CA 1.029 54.080 53.050 0.002 0.000 0.852 437 N CB -0.251 38.237 38.487 0.002 0.000 1.003 437 N HN 0.063 nan 8.380 nan 0.000 0.424 438 V N 1.036 120.951 119.914 0.002 0.000 2.343 438 V HA -0.155 3.965 4.120 0.000 0.000 0.247 438 V C 2.482 178.578 176.094 0.003 0.000 1.051 438 V CA 2.007 64.309 62.300 0.003 0.000 1.036 438 V CB -1.268 30.556 31.823 0.003 0.000 0.654 438 V HN 0.330 nan 8.190 nan 0.000 0.451 439 G N 0.048 108.849 108.800 0.003 0.000 2.446 439 G HA2 -0.247 3.713 3.960 0.000 0.000 0.217 439 G HA3 -0.247 3.713 3.960 0.000 0.000 0.217 439 G C 1.569 176.471 174.900 0.003 0.000 1.168 439 G CA 1.187 46.289 45.100 0.003 0.000 0.771 439 G HN 0.485 nan 8.290 nan 0.000 0.551 440 I N 0.353 120.924 120.570 0.002 0.000 2.163 440 I HA -0.166 4.004 4.170 0.000 0.000 0.243 440 I C 2.709 178.828 176.117 0.004 0.000 1.085 440 I CA 1.138 62.440 61.300 0.003 0.000 1.347 440 I CB -0.159 37.843 38.000 0.002 0.000 1.044 440 I HN 0.040 nan 8.210 nan 0.000 0.408 441 K N 0.517 120.919 120.400 0.004 0.000 2.148 441 K HA -0.063 4.258 4.320 0.000 0.000 0.204 441 K C 2.124 178.726 176.600 0.005 0.000 1.050 441 K CA 0.924 57.213 56.287 0.004 0.000 0.942 441 K CB -0.580 31.922 32.500 0.004 0.000 0.724 441 K HN 0.224 nan 8.250 nan 0.000 0.446 442 V N 1.596 121.512 119.914 0.004 0.000 2.343 442 V HA -0.243 3.878 4.120 0.000 0.000 0.247 442 V C 2.460 178.558 176.094 0.006 0.000 1.051 442 V CA 2.003 64.306 62.300 0.005 0.000 1.036 442 V CB -0.710 31.116 31.823 0.005 0.000 0.654 442 V HN 0.286 nan 8.190 nan 0.000 0.451 443 A N -0.294 122.530 122.820 0.005 0.000 1.873 443 A HA -0.116 4.205 4.320 0.000 0.000 0.215 443 A C 2.191 179.779 177.584 0.007 0.000 1.186 443 A CA 1.622 53.662 52.037 0.006 0.000 0.616 443 A CB -0.538 18.464 19.000 0.004 0.000 0.823 443 A HN 0.481 nan 8.150 nan 0.000 0.442 444 L N -1.117 120.110 121.223 0.006 0.000 2.079 444 L HA -0.194 4.146 4.340 0.000 0.000 0.210 444 L C 2.825 179.701 176.870 0.009 0.000 1.081 444 L CA 1.778 56.623 54.840 0.008 0.000 0.752 444 L CB -0.522 41.542 42.059 0.008 0.000 0.896 444 L HN 0.447 nan 8.230 nan 0.000 0.433 445 R N 0.240 120.745 120.500 0.007 0.000 2.075 445 R HA -0.152 4.189 4.340 0.000 0.000 0.232 445 R C 2.370 178.675 176.300 0.007 0.000 1.126 445 R CA 1.361 57.465 56.100 0.007 0.000 0.963 445 R CB -0.198 30.105 30.300 0.005 0.000 0.858 445 R HN 0.342 nan 8.270 nan 0.000 0.435 446 A N 0.724 123.548 122.820 0.007 0.000 1.972 446 A HA -0.154 4.166 4.320 0.000 0.000 0.219 446 A C 2.075 179.664 177.584 0.010 0.000 1.169 446 A CA 1.359 53.401 52.037 0.008 0.000 0.635 446 A CB -0.412 18.594 19.000 0.009 0.000 0.810 446 A HN 0.342 nan 8.150 nan 0.000 0.446 447 M N -0.498 119.108 119.600 0.010 0.000 2.623 447 M HA -0.146 4.335 4.480 0.000 0.000 0.258 447 M C 1.302 177.610 176.300 0.012 0.000 1.067 447 M CA 1.083 56.390 55.300 0.012 0.000 1.068 447 M CB -0.274 32.333 32.600 0.013 0.000 1.409 447 M HN 0.487 nan 8.290 nan 0.000 0.504 448 E N -0.206 120.000 120.200 0.010 0.000 2.447 448 E HA 0.064 4.414 4.350 0.000 0.000 0.195 448 E C 2.049 178.652 176.600 0.005 0.000 1.028 448 E CA 0.335 56.740 56.400 0.008 0.000 0.876 448 E CB 0.140 29.844 29.700 0.007 0.000 0.885 448 E HN 0.481 nan 8.360 nan 0.000 0.500 449 A N 2.493 125.317 122.820 0.006 0.000 1.873 449 A HA -0.164 4.156 4.320 0.000 0.000 0.218 449 A C -0.321 177.266 177.584 0.005 0.000 1.193 449 A CA 1.480 53.520 52.037 0.005 0.000 0.629 449 A CB -1.527 17.477 19.000 0.007 0.000 0.826 449 A HN 0.123 nan 8.150 nan 0.000 0.447 450 P HA -0.181 nan 4.420 nan 0.000 0.214 450 P C 1.846 179.151 177.300 0.008 0.000 1.163 450 P CA 0.993 64.099 63.100 0.009 0.000 0.889 450 P CB -0.140 31.567 31.700 0.011 0.000 0.790 451 L N -0.768 120.460 121.223 0.008 0.000 1.989 451 L HA -0.218 4.122 4.340 0.000 0.000 0.211 451 L C 2.491 179.357 176.870 -0.006 0.000 1.071 451 L CA 1.912 56.756 54.840 0.008 0.000 0.749 451 L CB -0.424 41.639 42.059 0.006 0.000 0.890 451 L HN -0.107 nan 8.230 nan 0.000 0.431 452 R N -0.664 119.828 120.500 -0.012 0.000 2.103 452 R HA -0.278 4.063 4.340 0.000 0.000 0.242 452 R C 2.244 178.535 176.300 -0.016 0.000 1.142 452 R CA 1.998 58.085 56.100 -0.022 0.000 0.960 452 R CB -0.350 29.941 30.300 -0.015 0.000 0.858 452 R HN 0.380 nan 8.270 nan 0.000 0.439 453 Q N 0.973 120.770 119.800 -0.005 0.000 2.079 453 Q HA -0.085 4.256 4.340 0.000 0.000 0.200 453 Q C 1.857 177.858 176.000 0.003 0.000 0.974 453 Q CA 1.551 57.353 55.803 -0.002 0.000 0.840 453 Q CB -0.155 28.584 28.738 0.001 0.000 0.898 453 Q HN 0.362 nan 8.270 nan 0.000 0.430 454 I N -0.633 119.943 120.570 0.009 0.000 2.208 454 I HA -0.279 3.891 4.170 0.000 0.000 0.245 454 I C 2.011 178.147 176.117 0.031 0.000 1.097 454 I CA 1.024 62.337 61.300 0.021 0.000 1.363 454 I CB -0.288 37.731 38.000 0.033 0.000 1.051 454 I HN 0.083 nan 8.210 nan 0.000 0.413 455 V N 0.556 120.477 119.914 0.012 0.000 2.427 455 V HA -0.260 3.860 4.120 0.000 0.000 0.248 455 V C 2.354 178.441 176.094 -0.010 0.000 1.051 455 V CA 1.489 63.782 62.300 -0.013 0.000 1.048 455 V CB -0.468 31.284 31.823 -0.118 0.000 0.666 455 V HN 0.352 nan 8.190 nan 0.000 0.456 456 L N 0.783 121.998 121.223 -0.012 0.000 2.046 456 L HA -0.137 4.204 4.340 0.000 0.000 0.208 456 L C 2.184 179.056 176.870 0.002 0.000 1.077 456 L CA 1.902 56.737 54.840 -0.008 0.000 0.747 456 L CB -0.835 41.220 42.059 -0.008 0.000 0.896 456 L HN 0.307 nan 8.230 nan 0.000 0.432 457 N N -1.091 117.613 118.700 0.007 0.000 2.289 457 N HA -0.162 4.579 4.740 0.000 0.000 0.184 457 N C 1.716 177.235 175.510 0.015 0.000 1.016 457 N CA 1.575 54.631 53.050 0.009 0.000 0.872 457 N CB -0.674 37.819 38.487 0.009 0.000 0.973 457 N HN 0.427 nan 8.380 nan 0.000 0.433 458 C N -0.489 118.827 119.300 0.026 0.000 2.522 458 C HA 0.230 4.690 4.460 0.000 0.000 0.271 458 C C 1.643 176.651 174.990 0.029 0.000 1.425 458 C CA 0.380 59.420 59.018 0.037 0.000 1.751 458 C CB -1.153 26.634 27.740 0.079 0.000 1.775 458 C HN 0.627 nan 8.230 nan 0.000 0.557 459 G N 0.924 109.735 108.800 0.018 0.000 2.137 459 G HA2 -0.156 3.805 3.960 0.000 0.000 0.237 459 G HA3 -0.156 3.805 3.960 0.000 0.000 0.237 459 G C -0.197 174.710 174.900 0.011 0.000 1.002 459 G CA 0.156 45.263 45.100 0.013 0.000 0.702 459 G HN 0.506 nan 8.290 nan 0.000 0.515 460 E N -0.042 120.161 120.200 0.004 0.000 2.405 460 E HA 0.462 4.813 4.350 0.000 0.000 0.249 460 E C 0.057 176.636 176.600 -0.035 0.000 1.028 460 E CA -0.731 55.661 56.400 -0.013 0.000 0.897 460 E CB 0.684 30.364 29.700 -0.032 0.000 1.262 460 E HN 0.458 nan 8.360 nan 0.000 0.442 461 E N 1.467 121.637 120.200 -0.049 0.000 2.046 461 E HA 0.160 4.510 4.350 0.000 0.000 0.279 461 E C -1.812 174.745 176.600 -0.072 0.000 0.989 461 E CA -1.684 54.689 56.400 -0.045 0.000 0.798 461 E CB 1.145 30.828 29.700 -0.027 0.000 1.086 461 E HN 0.114 nan 8.360 nan 0.000 0.399 462 P HA -0.239 nan 4.420 nan 0.000 0.215 462 P C 1.201 178.468 177.300 -0.055 0.000 1.163 462 P CA 1.277 64.335 63.100 -0.069 0.000 0.894 462 P CB 0.290 31.965 31.700 -0.041 0.000 0.791 463 S N -0.793 114.886 115.700 -0.034 0.000 2.380 463 S HA -0.150 4.320 4.470 0.000 0.000 0.229 463 S C 1.960 176.548 174.600 -0.021 0.000 1.043 463 S CA 1.664 59.851 58.200 -0.022 0.000 1.038 463 S CB -1.313 61.879 63.200 -0.015 0.000 0.872 463 S HN -0.031 nan 8.310 nan 0.000 0.456 464 V N 1.081 120.978 119.914 -0.028 0.000 2.323 464 V HA -0.095 4.026 4.120 0.000 0.000 0.244 464 V C 2.312 178.398 176.094 -0.013 0.000 1.041 464 V CA 1.317 63.607 62.300 -0.017 0.000 1.025 464 V CB -0.834 30.982 31.823 -0.012 0.000 0.656 464 V HN 0.342 nan 8.190 nan 0.000 0.451 465 V N 0.562 120.435 119.914 -0.069 0.000 2.343 465 V HA -0.241 3.879 4.120 0.000 0.000 0.247 465 V C 2.762 178.847 176.094 -0.015 0.000 1.051 465 V CA 2.008 64.249 62.300 -0.098 0.000 1.036 465 V CB -1.177 30.367 31.823 -0.465 0.000 0.654 465 V HN 0.544 nan 8.190 nan 0.000 0.451 466 A N 0.413 123.212 122.820 -0.035 0.000 1.902 466 A HA -0.292 4.028 4.320 0.000 0.000 0.217 466 A C 2.077 179.677 177.584 0.028 0.000 1.181 466 A CA 2.347 54.384 52.037 -0.001 0.000 0.623 466 A CB -0.860 18.134 19.000 -0.010 0.000 0.818 466 A HN 0.599 nan 8.150 nan 0.000 0.443 467 N N -0.649 118.062 118.700 0.018 0.000 2.120 467 N HA -0.117 4.623 4.740 0.000 0.000 0.188 467 N C 1.668 177.201 175.510 0.039 0.000 1.024 467 N CA 2.269 55.332 53.050 0.022 0.000 0.852 467 N CB -0.340 38.151 38.487 0.008 0.000 1.003 467 N HN 0.414 nan 8.380 nan 0.000 0.424 468 T N -0.698 113.887 114.554 0.050 0.000 2.812 468 T HA -0.021 4.330 4.350 0.000 0.000 0.264 468 T C 1.956 176.760 174.700 0.173 0.000 1.042 468 T CA 1.005 63.135 62.100 0.051 0.000 1.140 468 T CB -0.334 68.491 68.868 -0.071 0.000 0.870 468 T HN -0.002 nan 8.240 nan 0.000 0.445 469 V N 1.670 121.701 119.914 0.195 0.000 2.343 469 V HA -0.169 3.952 4.120 0.000 0.000 0.247 469 V C 2.454 178.661 176.094 0.190 0.000 1.051 469 V CA 1.552 63.969 62.300 0.196 0.000 1.036 469 V CB -0.472 31.419 31.823 0.115 0.000 0.654 469 V HN 0.462 nan 8.190 nan 0.000 0.451 470 K N 0.152 120.624 120.400 0.119 0.000 2.148 470 K HA -0.091 4.229 4.320 0.000 0.000 0.204 470 K C 2.230 178.883 176.600 0.090 0.000 1.050 470 K CA 1.281 57.622 56.287 0.090 0.000 0.942 470 K CB -0.564 31.969 32.500 0.054 0.000 0.724 470 K HN 0.568 nan 8.250 nan 0.000 0.446 471 G N 1.199 110.054 108.800 0.092 0.000 2.432 471 G HA2 -0.150 3.810 3.960 0.000 0.000 0.219 471 G HA3 -0.150 3.810 3.960 0.000 0.000 0.219 471 G C 0.844 175.768 174.900 0.040 0.000 1.135 471 G CA 0.902 46.034 45.100 0.053 0.000 0.767 471 G HN 0.391 nan 8.290 nan 0.000 0.550 472 G N -0.260 108.609 108.800 0.116 0.000 2.543 472 G HA2 0.501 4.461 3.960 0.000 0.000 0.267 472 G HA3 0.501 4.461 3.960 0.000 0.000 0.267 472 G C -0.603 174.350 174.900 0.087 0.000 1.406 472 G CA 0.316 45.425 45.100 0.016 0.000 1.048 472 G HN 0.410 nan 8.290 nan 0.000 0.548 473 D N -3.554 116.895 120.400 0.081 0.000 2.677 473 D HA 0.529 5.170 4.640 0.000 0.000 0.298 473 D C 0.647 177.015 176.300 0.113 0.000 1.250 473 D CA 0.444 54.496 54.000 0.088 0.000 0.888 473 D CB 0.602 41.422 40.800 0.033 0.000 1.397 473 D HN 1.707 nan 8.370 nan 0.000 0.461 474 G N 0.476 109.326 108.800 0.083 0.000 2.550 474 G HA2 -0.294 3.666 3.960 0.000 0.000 0.277 474 G HA3 -0.294 3.666 3.960 0.000 0.000 0.277 474 G C -0.089 174.873 174.900 0.103 0.000 1.190 474 G CA 0.391 45.539 45.100 0.080 0.000 0.971 474 G HN 0.739 nan 8.290 nan 0.000 0.559 475 N N 0.074 118.839 118.700 0.108 0.000 2.451 475 N HA 0.381 5.121 4.740 0.000 0.000 0.264 475 N C -0.318 175.277 175.510 0.142 0.000 1.167 475 N CA -0.096 53.013 53.050 0.099 0.000 0.898 475 N CB 0.386 38.912 38.487 0.065 0.000 1.176 475 N HN 0.549 nan 8.380 nan 0.000 0.507 476 Y N 0.896 121.230 120.300 0.057 0.000 2.359 476 Y HA 0.568 5.118 4.550 0.000 0.000 0.334 476 Y C 0.670 176.640 175.900 0.117 0.000 1.058 476 Y CA -0.290 57.860 58.100 0.084 0.000 1.244 476 Y CB 0.110 38.616 38.460 0.077 0.000 1.187 476 Y HN 0.115 nan 8.280 nan 0.000 0.510 477 G N 4.123 112.697 108.800 -0.376 0.000 2.815 477 G HA2 0.258 4.218 3.960 0.000 0.000 0.305 477 G HA3 0.258 4.218 3.960 0.000 0.000 0.305 477 G C -2.411 172.332 174.900 -0.261 0.000 1.277 477 G CA -0.899 44.040 45.100 -0.268 0.000 0.795 477 G HN 0.528 nan 8.290 nan 0.000 0.528 478 Y N 1.596 121.701 120.300 -0.325 0.000 2.334 478 Y HA 0.522 5.072 4.550 0.000 0.000 0.336 478 Y C -0.036 175.671 175.900 -0.322 0.000 0.960 478 Y CA -1.310 56.484 58.100 -0.511 0.000 1.164 478 Y CB 1.342 39.480 38.460 -0.536 0.000 1.155 478 Y HN 0.414 nan 8.280 nan 0.000 0.478 479 N N 4.976 123.256 118.700 -0.700 0.000 2.415 479 N HA 0.106 4.847 4.740 0.000 0.000 0.250 479 N C 0.630 175.686 175.510 -0.758 0.000 1.127 479 N CA 0.686 53.423 53.050 -0.522 0.000 0.945 479 N CB 1.331 39.597 38.487 -0.369 0.000 1.196 479 N HN 0.940 nan 8.380 nan 0.000 0.499 480 A N 3.997 126.539 122.820 -0.464 0.000 2.019 480 A HA -0.075 4.245 4.320 0.000 0.000 0.219 480 A C 2.067 179.513 177.584 -0.230 0.000 1.164 480 A CA 1.688 53.544 52.037 -0.302 0.000 0.644 480 A CB -0.450 18.529 19.000 -0.036 0.000 0.805 480 A HN 0.723 nan 8.150 nan 0.000 0.449 481 A N -0.186 122.513 122.820 -0.201 0.000 1.832 481 A HA -0.092 4.228 4.320 0.000 0.000 0.214 481 A C 2.431 179.925 177.584 -0.150 0.000 1.200 481 A CA 2.490 54.446 52.037 -0.136 0.000 0.610 481 A CB -1.371 17.565 19.000 -0.107 0.000 0.842 481 A HN 0.811 nan 8.150 nan 0.000 0.444 482 T N -2.858 111.581 114.554 -0.191 0.000 3.088 482 T HA 0.126 4.476 4.350 0.000 0.000 0.259 482 T C 0.316 174.889 174.700 -0.211 0.000 1.122 482 T CA 0.881 62.883 62.100 -0.163 0.000 1.095 482 T CB -0.473 68.311 68.868 -0.141 0.000 0.930 482 T HN 0.591 nan 8.240 nan 0.000 0.508 483 E N 1.232 121.204 120.200 -0.380 0.000 2.320 483 E HA -0.132 4.219 4.350 0.000 0.000 0.234 483 E C -0.822 175.560 176.600 -0.364 0.000 1.183 483 E CA 0.416 56.536 56.400 -0.467 0.000 0.713 483 E CB -0.908 28.730 29.700 -0.103 0.000 1.226 483 E HN 0.665 nan 8.360 nan 0.000 0.382 484 E N -0.380 119.523 120.200 -0.495 0.000 2.356 484 E HA 0.352 4.702 4.350 0.000 0.000 0.275 484 E C -0.667 175.749 176.600 -0.307 0.000 0.904 484 E CA -0.715 55.555 56.400 -0.217 0.000 0.757 484 E CB 1.036 30.684 29.700 -0.087 0.000 1.232 484 E HN 0.036 nan 8.360 nan 0.000 0.442 485 Y N 0.080 120.369 120.300 -0.019 0.000 2.392 485 Y HA 0.656 5.207 4.550 0.000 0.000 0.323 485 Y C 1.277 177.177 175.900 -0.001 0.000 1.291 485 Y CA 0.546 58.614 58.100 -0.052 0.000 1.345 485 Y CB 1.468 39.945 38.460 0.027 0.000 1.320 485 Y HN 0.715 nan 8.280 nan 0.000 0.518 486 G N 0.262 109.148 108.800 0.145 0.000 2.352 486 G HA2 -0.054 3.906 3.960 0.000 0.000 0.283 486 G HA3 -0.054 3.906 3.960 0.000 0.000 0.283 486 G C -1.809 173.188 174.900 0.162 0.000 1.308 486 G CA -1.196 44.033 45.100 0.214 0.000 0.892 486 G HN 0.567 nan 8.290 nan 0.000 0.504 487 N N 1.101 119.887 118.700 0.142 0.000 2.411 487 N HA 0.149 4.889 4.740 0.000 0.000 0.259 487 N C 1.776 177.311 175.510 0.041 0.000 1.103 487 N CA -0.509 52.606 53.050 0.109 0.000 0.954 487 N CB 0.808 39.350 38.487 0.093 0.000 1.085 487 N HN 0.392 nan 8.380 nan 0.000 0.485 488 M N 3.537 123.150 119.600 0.021 0.000 2.108 488 M HA -0.174 4.307 4.480 0.000 0.000 0.261 488 M C 1.645 177.945 176.300 -0.001 0.000 1.066 488 M CA 1.176 56.471 55.300 -0.009 0.000 1.107 488 M CB -0.593 32.001 32.600 -0.011 0.000 1.356 488 M HN 0.561 nan 8.290 nan 0.000 0.406 489 I N 0.224 120.803 120.570 0.015 0.000 2.202 489 I HA -0.247 3.923 4.170 0.000 0.000 0.242 489 I C 1.956 178.080 176.117 0.010 0.000 1.091 489 I CA 1.342 62.649 61.300 0.013 0.000 1.368 489 I CB -1.536 36.475 38.000 0.020 0.000 1.058 489 I HN 0.251 nan 8.210 nan 0.000 0.410 490 D N 0.817 121.228 120.400 0.017 0.000 2.149 490 D HA -0.166 4.474 4.640 0.000 0.000 0.198 490 D C 2.198 178.501 176.300 0.004 0.000 0.990 490 D CA 1.224 55.233 54.000 0.014 0.000 0.839 490 D CB -0.134 40.681 40.800 0.024 0.000 0.948 490 D HN 0.340 nan 8.370 nan 0.000 0.460 491 M N -0.425 119.174 119.600 -0.003 0.000 2.686 491 M HA 0.075 4.555 4.480 0.000 0.000 0.246 491 M C 0.961 177.247 176.300 -0.023 0.000 1.096 491 M CA 0.558 55.847 55.300 -0.018 0.000 1.076 491 M CB 0.223 32.801 32.600 -0.037 0.000 1.504 491 M HN 0.032 nan 8.290 nan 0.000 0.524 492 G N 2.292 111.084 108.800 -0.014 0.000 2.246 492 G HA2 -0.247 3.713 3.960 0.000 0.000 0.273 492 G HA3 -0.247 3.713 3.960 0.000 0.000 0.273 492 G C -0.102 174.786 174.900 -0.019 0.000 1.055 492 G CA -0.146 44.946 45.100 -0.013 0.000 0.851 492 G HN 0.541 nan 8.290 nan 0.000 0.500 493 I N 0.560 121.117 120.570 -0.023 0.000 2.428 493 I HA 0.524 4.694 4.170 0.000 0.000 0.279 493 I C 0.101 176.209 176.117 -0.016 0.000 1.040 493 I CA -0.897 60.386 61.300 -0.027 0.000 1.171 493 I CB 0.721 38.692 38.000 -0.048 0.000 1.312 493 I HN 0.222 nan 8.210 nan 0.000 0.470 494 L N 3.398 124.617 121.223 -0.008 0.000 2.479 494 L HA 0.786 5.126 4.340 0.000 0.000 0.255 494 L C -1.375 175.497 176.870 0.004 0.000 1.026 494 L CA -0.710 54.130 54.840 0.000 0.000 0.842 494 L CB 1.600 43.662 42.059 0.004 0.000 1.444 494 L HN 0.055 nan 8.230 nan 0.000 0.409 495 D N -0.378 120.027 120.400 0.008 0.000 2.575 495 D HA 0.487 5.128 4.640 0.000 0.000 0.236 495 D C -2.792 173.517 176.300 0.016 0.000 1.075 495 D CA -1.277 52.730 54.000 0.012 0.000 0.860 495 D CB 2.467 43.274 40.800 0.013 0.000 1.475 495 D HN 0.366 nan 8.370 nan 0.000 0.474 496 P HA 0.057 nan 4.420 nan 0.000 0.267 496 P C 0.866 178.179 177.300 0.021 0.000 1.205 496 P CA 0.154 63.267 63.100 0.021 0.000 0.765 496 P CB 0.573 32.288 31.700 0.026 0.000 0.828 497 T N 2.644 117.210 114.554 0.020 0.000 2.721 497 T HA -0.244 4.106 4.350 0.000 0.000 0.268 497 T C 1.609 176.321 174.700 0.021 0.000 1.038 497 T CA 1.431 63.543 62.100 0.019 0.000 1.145 497 T CB -0.285 68.593 68.868 0.017 0.000 0.858 497 T HN 0.502 nan 8.240 nan 0.000 0.459 498 K N 0.485 120.899 120.400 0.024 0.000 2.057 498 K HA -0.064 4.256 4.320 0.000 0.000 0.207 498 K C 2.379 179.001 176.600 0.036 0.000 1.049 498 K CA 1.113 57.417 56.287 0.029 0.000 0.931 498 K CB -0.411 32.108 32.500 0.032 0.000 0.714 498 K HN 0.237 nan 8.250 nan 0.000 0.440 499 V N 0.788 120.722 119.914 0.034 0.000 2.358 499 V HA -0.205 3.915 4.120 0.000 0.000 0.246 499 V C 1.753 177.870 176.094 0.039 0.000 1.047 499 V CA 2.506 64.828 62.300 0.037 0.000 1.035 499 V CB -0.403 31.435 31.823 0.026 0.000 0.658 499 V HN 0.454 nan 8.190 nan 0.000 0.452 500 T N 0.235 114.807 114.554 0.030 0.000 2.746 500 T HA -0.189 4.161 4.350 0.000 0.000 0.267 500 T C 1.941 176.658 174.700 0.028 0.000 1.039 500 T CA 1.962 64.079 62.100 0.027 0.000 1.142 500 T CB -0.339 68.542 68.868 0.021 0.000 0.866 500 T HN 0.548 nan 8.240 nan 0.000 0.444 501 R N 0.853 121.367 120.500 0.023 0.000 2.083 501 R HA -0.095 4.245 4.340 0.000 0.000 0.237 501 R C 2.578 178.885 176.300 0.012 0.000 1.137 501 R CA 1.837 57.943 56.100 0.011 0.000 0.951 501 R CB -0.367 29.935 30.300 0.004 0.000 0.851 501 R HN 0.227 nan 8.270 nan 0.000 0.434 502 S N 0.400 116.129 115.700 0.048 0.000 2.368 502 S HA -0.117 4.354 4.470 0.000 0.000 0.225 502 S C 1.983 176.695 174.600 0.187 0.000 1.030 502 S CA 1.089 59.358 58.200 0.115 0.000 0.999 502 S CB -0.231 63.092 63.200 0.205 0.000 0.844 502 S HN 0.578 nan 8.310 nan 0.000 0.459 503 A N 1.454 124.351 122.820 0.128 0.000 1.883 503 A HA -0.090 4.231 4.320 0.000 0.000 0.217 503 A C 2.138 179.778 177.584 0.093 0.000 1.186 503 A CA 1.540 53.645 52.037 0.114 0.000 0.624 503 A CB -0.770 18.268 19.000 0.063 0.000 0.822 503 A HN 0.419 nan 8.150 nan 0.000 0.444 504 L N -0.220 121.033 121.223 0.050 0.000 2.027 504 L HA -0.177 4.163 4.340 0.000 0.000 0.206 504 L C 2.496 179.368 176.870 0.003 0.000 1.074 504 L CA 2.384 57.239 54.840 0.025 0.000 0.745 504 L CB -0.858 41.207 42.059 0.009 0.000 0.898 504 L HN 0.515 nan 8.230 nan 0.000 0.433 505 Q N -1.851 117.923 119.800 -0.044 0.000 2.124 505 Q HA -0.225 4.115 4.340 0.000 0.000 0.202 505 Q C 2.143 178.055 176.000 -0.148 0.000 0.977 505 Q CA 1.951 57.675 55.803 -0.131 0.000 0.850 505 Q CB -0.292 28.307 28.738 -0.233 0.000 0.901 505 Q HN 0.517 nan 8.270 nan 0.000 0.429 506 Y N 0.080 120.380 120.300 -0.001 0.000 2.263 506 Y HA -0.136 4.414 4.550 0.000 0.000 0.292 506 Y C 2.305 178.204 175.900 -0.002 0.000 1.130 506 Y CA 0.907 59.006 58.100 -0.003 0.000 1.179 506 Y CB -0.481 37.976 38.460 -0.005 0.000 0.998 506 Y HN 0.129 nan 8.280 nan 0.000 0.532 507 A N -0.042 122.863 122.820 0.142 0.000 1.855 507 A HA -0.103 4.218 4.320 0.000 0.000 0.215 507 A C 2.458 180.074 177.584 0.053 0.000 1.191 507 A CA 1.787 53.873 52.037 0.083 0.000 0.613 507 A CB -1.286 17.749 19.000 0.058 0.000 0.829 507 A HN 0.362 nan 8.150 nan 0.000 0.442 508 A N -0.782 122.056 122.820 0.030 0.000 1.978 508 A HA -0.113 4.207 4.320 0.000 0.000 0.220 508 A C 2.433 180.024 177.584 0.012 0.000 1.170 508 A CA 2.232 54.276 52.037 0.011 0.000 0.636 508 A CB -0.851 18.145 19.000 -0.007 0.000 0.810 508 A HN 0.563 nan 8.150 nan 0.000 0.448 509 S N -0.954 114.756 115.700 0.017 0.000 2.335 509 S HA -0.132 4.338 4.470 0.000 0.000 0.216 509 S C 1.973 176.597 174.600 0.040 0.000 1.032 509 S CA 1.619 59.833 58.200 0.023 0.000 1.000 509 S CB -0.630 62.590 63.200 0.034 0.000 0.928 509 S HN 0.558 nan 8.310 nan 0.000 0.434 510 V N 1.926 121.877 119.914 0.062 0.000 2.490 510 V HA -0.045 4.075 4.120 0.000 0.000 0.250 510 V C 2.549 178.663 176.094 0.034 0.000 1.061 510 V CA 2.078 64.407 62.300 0.049 0.000 1.064 510 V CB -1.086 30.769 31.823 0.052 0.000 0.670 510 V HN 0.593 nan 8.190 nan 0.000 0.461 511 A N 0.061 122.900 122.820 0.031 0.000 1.877 511 A HA -0.035 4.285 4.320 0.000 0.000 0.216 511 A C 2.398 179.993 177.584 0.019 0.000 1.186 511 A CA 1.864 53.914 52.037 0.023 0.000 0.620 511 A CB -1.467 17.545 19.000 0.021 0.000 0.822 511 A HN 0.648 nan 8.150 nan 0.000 0.443 512 G N -0.229 108.582 108.800 0.017 0.000 2.442 512 G HA2 -0.178 3.782 3.960 0.000 0.000 0.219 512 G HA3 -0.178 3.782 3.960 0.000 0.000 0.219 512 G C 1.558 176.467 174.900 0.016 0.000 1.141 512 G CA 1.061 46.169 45.100 0.013 0.000 0.763 512 G HN 0.429 nan 8.290 nan 0.000 0.554 513 L N -0.343 120.892 121.223 0.019 0.000 2.056 513 L HA -0.034 4.306 4.340 0.000 0.000 0.207 513 L C 3.124 180.007 176.870 0.020 0.000 1.078 513 L CA 1.037 55.889 54.840 0.020 0.000 0.749 513 L CB -0.334 41.739 42.059 0.023 0.000 0.901 513 L HN 0.240 nan 8.230 nan 0.000 0.433 514 M N -0.542 119.070 119.600 0.021 0.000 2.132 514 M HA -0.209 4.272 4.480 0.000 0.000 0.263 514 M C 2.279 178.591 176.300 0.019 0.000 1.065 514 M CA 1.780 57.092 55.300 0.021 0.000 1.122 514 M CB -0.329 32.284 32.600 0.021 0.000 1.365 514 M HN 0.202 nan 8.290 nan 0.000 0.411 515 I N 0.005 120.585 120.570 0.017 0.000 2.454 515 I HA -0.205 3.965 4.170 0.000 0.000 0.254 515 I C 1.613 177.740 176.117 0.017 0.000 1.156 515 I CA 1.363 62.673 61.300 0.015 0.000 1.433 515 I CB -0.572 37.436 38.000 0.013 0.000 1.082 515 I HN 0.392 nan 8.210 nan 0.000 0.432 516 T N -3.025 111.539 114.554 0.018 0.000 3.243 516 T HA 0.191 4.541 4.350 0.000 0.000 0.264 516 T C 0.382 175.096 174.700 0.025 0.000 1.000 516 T CA -0.355 61.757 62.100 0.020 0.000 0.901 516 T CB -0.329 68.549 68.868 0.017 0.000 1.083 516 T HN -0.081 nan 8.240 nan 0.000 0.559 517 T N 1.949 116.518 114.554 0.026 0.000 2.795 517 T HA 0.389 4.740 4.350 0.000 0.000 0.282 517 T C 0.460 175.183 174.700 0.037 0.000 0.980 517 T CA -0.599 61.518 62.100 0.028 0.000 1.012 517 T CB 1.787 70.670 68.868 0.024 0.000 0.936 517 T HN 0.096 nan 8.240 nan 0.000 0.457 518 E N 0.455 120.687 120.200 0.052 0.000 2.514 518 E HA 0.188 4.538 4.350 0.000 0.000 0.215 518 E C -0.088 176.580 176.600 0.114 0.000 0.946 518 E CA 0.084 56.539 56.400 0.092 0.000 1.038 518 E CB 0.843 30.612 29.700 0.115 0.000 1.069 518 E HN 0.568 nan 8.360 nan 0.000 0.503 519 C N 0.738 120.050 119.300 0.020 0.000 2.782 519 C HA 0.663 5.123 4.460 0.000 0.000 0.328 519 C C -1.335 173.578 174.990 -0.129 0.000 1.145 519 C CA -0.579 58.346 59.018 -0.155 0.000 1.358 519 C CB 0.409 28.067 27.740 -0.135 0.000 1.841 519 C HN 0.113 nan 8.230 nan 0.000 0.477 520 M N 5.135 124.635 119.600 -0.167 0.000 2.395 520 M HA 0.632 5.112 4.480 0.000 0.000 0.307 520 M C -1.096 175.253 176.300 0.081 0.000 1.091 520 M CA -0.597 54.721 55.300 0.029 0.000 0.919 520 M CB 2.147 34.877 32.600 0.217 0.000 1.662 520 M HN 0.395 nan 8.290 nan 0.000 0.440 521 V N 1.274 121.213 119.914 0.041 0.000 2.531 521 V HA 0.773 4.893 4.120 0.000 0.000 0.301 521 V C -0.383 175.664 176.094 -0.078 0.000 1.034 521 V CA -0.425 61.877 62.300 0.004 0.000 0.865 521 V CB 2.037 33.843 31.823 -0.028 0.000 0.995 521 V HN 0.949 nan 8.190 nan 0.000 0.424 522 T N 2.186 116.650 114.554 -0.150 0.000 2.821 522 T HA 0.421 4.771 4.350 0.000 0.000 0.306 522 T C -1.186 173.409 174.700 -0.175 0.000 1.313 522 T CA -0.545 61.406 62.100 -0.248 0.000 1.012 522 T CB 1.815 70.366 68.868 -0.528 0.000 1.298 522 T HN 0.701 nan 8.240 nan 0.000 0.502 523 D N 1.435 121.746 120.400 -0.147 0.000 2.382 523 D HA 0.347 4.987 4.640 0.000 0.000 0.240 523 D C -0.139 176.106 176.300 -0.092 0.000 1.146 523 D CA -0.179 53.765 54.000 -0.093 0.000 0.897 523 D CB 0.364 41.119 40.800 -0.075 0.000 1.197 523 D HN 0.187 nan 8.370 nan 0.000 0.432 524 L N 3.598 124.794 121.223 -0.046 0.000 2.416 524 L HA 0.168 4.508 4.340 0.000 0.000 0.272 524 L C -1.192 175.660 176.870 -0.030 0.000 1.161 524 L CA -1.379 53.448 54.840 -0.023 0.000 0.845 524 L CB 0.511 42.569 42.059 -0.001 0.000 1.119 524 L HN 0.413 nan 8.230 nan 0.000 0.464 525 P HA -0.141 nan 4.420 nan 0.000 0.229 525 P C -0.052 177.239 177.300 -0.015 0.000 1.150 525 P CA 1.060 64.146 63.100 -0.023 0.000 0.765 525 P CB 0.142 31.837 31.700 -0.008 0.000 0.783 526 K N 0.000 120.394 120.400 -0.009 0.000 2.780 526 K HA 0.000 4.320 4.320 0.000 0.000 0.191 526 K CA 0.000 56.283 56.287 -0.006 0.000 0.838 526 K CB 0.000 32.500 32.500 -0.001 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543