REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1j4z_1_L DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEAALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNADQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.585 177.584 0.001 0.000 1.274 2 A CA 0.000 52.037 52.037 0.001 0.000 0.836 2 A CB 0.000 18.998 19.000 -0.004 0.000 0.831 3 A N 1.304 124.123 122.820 -0.002 0.000 2.540 3 A HA 0.391 4.711 4.320 0.000 0.000 0.268 3 A C 0.456 178.038 177.584 -0.004 0.000 1.061 3 A CA 0.676 52.712 52.037 -0.002 0.000 0.821 3 A CB -0.732 18.264 19.000 -0.006 0.000 0.970 3 A HN 0.548 nan 8.150 nan 0.000 0.524 4 K N 1.810 122.213 120.400 0.004 0.000 2.098 4 K HA 0.403 4.723 4.320 0.000 0.000 0.244 4 K C -0.537 176.066 176.600 0.005 0.000 1.014 4 K CA -0.616 55.676 56.287 0.008 0.000 0.917 4 K CB 0.839 33.355 32.500 0.026 0.000 1.072 4 K HN 0.729 nan 8.250 nan 0.000 0.477 5 D N 0.184 120.593 120.400 0.014 0.000 2.350 5 D HA 0.419 5.059 4.640 0.000 0.000 0.245 5 D C -1.501 174.857 176.300 0.097 0.000 1.036 5 D CA -0.700 53.313 54.000 0.022 0.000 0.848 5 D CB 1.498 42.274 40.800 -0.040 0.000 1.307 5 D HN 0.051 nan 8.370 nan 0.000 0.469 6 V N 3.766 123.693 119.914 0.021 0.000 2.623 6 V HA 0.455 4.575 4.120 0.000 0.000 0.304 6 V C -0.248 175.607 176.094 -0.397 0.000 1.054 6 V CA -0.750 61.471 62.300 -0.132 0.000 0.882 6 V CB 2.018 33.725 31.823 -0.193 0.000 1.002 6 V HN 0.461 nan 8.190 nan 0.000 0.424 7 K N 3.406 123.498 120.400 -0.513 0.000 2.385 7 K HA 0.827 5.147 4.320 0.000 0.000 0.248 7 K C -1.731 174.486 176.600 -0.638 0.000 0.955 7 K CA -0.510 55.425 56.287 -0.587 0.000 0.816 7 K CB 2.395 34.684 32.500 -0.351 0.000 1.250 7 K HN 0.448 nan 8.250 nan 0.000 0.434 8 F N -0.275 119.629 119.950 -0.077 0.000 2.620 8 F HA 0.589 5.116 4.527 0.000 0.000 0.320 8 F C 0.866 176.630 175.800 -0.059 0.000 1.069 8 F CA -0.431 57.526 58.000 -0.071 0.000 0.953 8 F CB 1.258 40.234 39.000 -0.040 0.000 1.322 8 F HN 0.766 nan 8.300 nan 0.000 0.479 9 G N 1.326 110.226 108.800 0.166 0.000 2.601 9 G HA2 -0.334 3.626 3.960 0.000 0.000 0.261 9 G HA3 -0.334 3.626 3.960 0.000 0.000 0.261 9 G C 0.799 175.716 174.900 0.029 0.000 1.289 9 G CA 0.401 45.546 45.100 0.074 0.000 0.920 9 G HN 0.835 nan 8.290 nan 0.000 0.571 10 N N 0.290 119.002 118.700 0.021 0.000 2.100 10 N HA -0.281 4.459 4.740 0.000 0.000 0.199 10 N C 1.733 177.239 175.510 -0.006 0.000 1.017 10 N CA 2.303 55.358 53.050 0.007 0.000 0.890 10 N CB -0.400 38.094 38.487 0.012 0.000 1.080 10 N HN 0.699 nan 8.380 nan 0.000 0.525 11 D N 0.735 121.133 120.400 -0.003 0.000 2.355 11 D HA -0.267 4.373 4.640 0.000 0.000 0.192 11 D C 1.818 178.073 176.300 -0.074 0.000 1.014 11 D CA 1.907 55.896 54.000 -0.018 0.000 0.862 11 D CB -0.806 39.986 40.800 -0.014 0.000 0.986 11 D HN 0.442 nan 8.370 nan 0.000 0.456 12 A N -0.054 122.690 122.820 -0.126 0.000 2.042 12 A HA -0.260 4.060 4.320 0.000 0.000 0.222 12 A C 2.118 179.606 177.584 -0.161 0.000 1.167 12 A CA 1.935 53.830 52.037 -0.236 0.000 0.649 12 A CB -0.377 18.519 19.000 -0.173 0.000 0.809 12 A HN 0.191 nan 8.150 nan 0.000 0.457 13 R N -1.116 119.338 120.500 -0.077 0.000 2.062 13 R HA 0.016 4.356 4.340 0.000 0.000 0.218 13 R C 2.231 178.515 176.300 -0.026 0.000 1.161 13 R CA 1.091 57.164 56.100 -0.045 0.000 0.994 13 R CB -0.719 29.567 30.300 -0.023 0.000 0.888 13 R HN 0.504 nan 8.270 nan 0.000 0.442 14 V N 0.864 120.771 119.914 -0.013 0.000 2.439 14 V HA -0.287 3.833 4.120 0.000 0.000 0.253 14 V C 1.876 177.977 176.094 0.012 0.000 1.074 14 V CA 1.681 63.983 62.300 0.002 0.000 1.076 14 V CB -0.526 31.303 31.823 0.009 0.000 0.664 14 V HN 0.143 nan 8.190 nan 0.000 0.461 15 K N -0.077 120.331 120.400 0.014 0.000 2.026 15 K HA -0.029 4.291 4.320 0.000 0.000 0.208 15 K C 2.267 178.891 176.600 0.040 0.000 1.048 15 K CA 2.142 58.461 56.287 0.055 0.000 0.929 15 K CB -0.560 32.005 32.500 0.108 0.000 0.713 15 K HN 0.545 nan 8.250 nan 0.000 0.439 16 M N 0.475 120.077 119.600 0.003 0.000 2.080 16 M HA -0.209 4.271 4.480 0.000 0.000 0.260 16 M C 2.219 178.525 176.300 0.010 0.000 1.068 16 M CA 1.224 56.526 55.300 0.005 0.000 1.109 16 M CB -0.422 32.167 32.600 -0.018 0.000 1.342 16 M HN 0.069 nan 8.290 nan 0.000 0.405 17 L N 0.766 121.992 121.223 0.005 0.000 1.943 17 L HA -0.222 4.118 4.340 0.000 0.000 0.215 17 L C 2.431 179.308 176.870 0.011 0.000 1.074 17 L CA 2.105 56.949 54.840 0.007 0.000 0.759 17 L CB -1.040 41.021 42.059 0.005 0.000 0.888 17 L HN 0.156 nan 8.230 nan 0.000 0.433 18 R N 0.317 120.825 120.500 0.015 0.000 2.153 18 R HA -0.142 4.198 4.340 0.000 0.000 0.252 18 R C 2.125 178.436 176.300 0.018 0.000 1.158 18 R CA 1.875 57.985 56.100 0.016 0.000 0.975 18 R CB -1.563 28.750 30.300 0.021 0.000 0.871 18 R HN 0.625 nan 8.270 nan 0.000 0.450 19 G N -0.581 108.234 108.800 0.025 0.000 2.408 19 G HA2 -0.186 3.774 3.960 0.000 0.000 0.217 19 G HA3 -0.186 3.774 3.960 0.000 0.000 0.217 19 G C 1.421 176.331 174.900 0.017 0.000 1.150 19 G CA 1.065 46.180 45.100 0.026 0.000 0.776 19 G HN 0.380 nan 8.290 nan 0.000 0.542 20 V N -1.173 118.749 119.914 0.013 0.000 2.649 20 V HA 0.007 4.127 4.120 0.000 0.000 0.248 20 V C 2.189 178.287 176.094 0.006 0.000 1.054 20 V CA 1.621 63.926 62.300 0.009 0.000 1.073 20 V CB -0.611 31.217 31.823 0.007 0.000 0.699 20 V HN 0.133 nan 8.190 nan 0.000 0.463 21 N N 1.053 119.757 118.700 0.007 0.000 2.258 21 N HA -0.133 4.607 4.740 0.000 0.000 0.187 21 N C 1.639 177.151 175.510 0.003 0.000 1.012 21 N CA 1.694 54.746 53.050 0.004 0.000 0.870 21 N CB -0.428 38.062 38.487 0.005 0.000 0.977 21 N HN 0.527 nan 8.380 nan 0.000 0.434 22 V N 0.747 120.663 119.914 0.004 0.000 2.256 22 V HA -0.140 3.980 4.120 0.000 0.000 0.240 22 V C 2.330 178.424 176.094 -0.000 0.000 1.036 22 V CA 0.886 63.187 62.300 0.002 0.000 1.008 22 V CB -0.653 31.172 31.823 0.002 0.000 0.648 22 V HN 0.180 nan 8.190 nan 0.000 0.453 23 L N 0.730 121.953 121.223 0.000 0.000 2.089 23 L HA -0.218 4.122 4.340 0.000 0.000 0.213 23 L C 2.209 179.077 176.870 -0.002 0.000 1.079 23 L CA 2.509 57.348 54.840 -0.002 0.000 0.758 23 L CB -0.950 41.108 42.059 -0.001 0.000 0.891 23 L HN 0.287 nan 8.230 nan 0.000 0.433 24 A N -0.857 121.962 122.820 -0.000 0.000 1.824 24 A HA -0.163 4.157 4.320 0.000 0.000 0.215 24 A C 1.965 179.548 177.584 -0.002 0.000 1.244 24 A CA 1.357 53.394 52.037 -0.001 0.000 0.604 24 A CB -1.133 17.868 19.000 0.001 0.000 0.900 24 A HN 0.470 nan 8.150 nan 0.000 0.455 25 D N 0.270 120.669 120.400 -0.002 0.000 2.276 25 D HA -0.169 4.471 4.640 0.000 0.000 0.200 25 D C 1.615 177.913 176.300 -0.004 0.000 1.004 25 D CA 1.655 55.653 54.000 -0.003 0.000 0.898 25 D CB -0.295 40.503 40.800 -0.002 0.000 0.906 25 D HN 0.436 nan 8.370 nan 0.000 0.457 26 A N -0.453 122.365 122.820 -0.004 0.000 2.337 26 A HA 0.270 4.590 4.320 0.000 0.000 0.227 26 A C 1.651 179.232 177.584 -0.005 0.000 1.259 26 A CA 0.017 52.051 52.037 -0.005 0.000 0.870 26 A CB 0.498 19.495 19.000 -0.005 0.000 0.927 26 A HN 0.135 nan 8.150 nan 0.000 0.497 27 V N -0.879 119.032 119.914 -0.005 0.000 3.180 27 V HA -0.027 4.093 4.120 0.000 0.000 0.246 27 V C 1.595 177.686 176.094 -0.005 0.000 1.545 27 V CA 0.834 63.131 62.300 -0.005 0.000 1.138 27 V CB 0.025 31.845 31.823 -0.005 0.000 0.978 27 V HN 0.664 nan 8.190 nan 0.000 0.437 28 K N 2.262 122.660 120.400 -0.005 0.000 2.665 28 K HA 0.018 4.338 4.320 0.000 0.000 0.196 28 K C 1.191 177.787 176.600 -0.007 0.000 1.021 28 K CA 1.386 57.670 56.287 -0.005 0.000 1.066 28 K CB -0.132 32.365 32.500 -0.006 0.000 0.849 28 K HN 0.523 nan 8.250 nan 0.000 0.500 29 V N -2.765 117.145 119.914 -0.006 0.000 2.908 29 V HA -0.038 4.082 4.120 0.000 0.000 0.240 29 V C 2.095 178.186 176.094 -0.005 0.000 1.117 29 V CA 0.774 63.070 62.300 -0.006 0.000 1.133 29 V CB -0.302 31.518 31.823 -0.006 0.000 0.857 29 V HN 0.424 nan 8.190 nan 0.000 0.478 30 T N -0.388 114.163 114.554 -0.005 0.000 3.427 30 T HA 0.112 4.462 4.350 0.000 0.000 0.256 30 T C 0.380 175.078 174.700 -0.004 0.000 1.172 30 T CA 0.163 62.261 62.100 -0.004 0.000 1.018 30 T CB -1.069 67.796 68.868 -0.005 0.000 0.981 30 T HN 0.283 nan 8.240 nan 0.000 0.555 31 L N 2.087 123.307 121.223 -0.004 0.000 2.313 31 L HA 0.605 4.945 4.340 0.000 0.000 0.282 31 L C 0.954 177.822 176.870 -0.002 0.000 1.092 31 L CA 1.469 56.307 54.840 -0.004 0.000 0.831 31 L CB -0.162 41.893 42.059 -0.006 0.000 1.159 31 L HN 0.641 nan 8.230 nan 0.000 0.442 32 G N 5.011 113.811 108.800 0.000 0.000 2.527 32 G HA2 -0.210 3.750 3.960 0.000 0.000 0.227 32 G HA3 -0.210 3.750 3.960 0.000 0.000 0.227 32 G C -2.029 172.873 174.900 0.004 0.000 1.291 32 G CA -0.080 45.022 45.100 0.004 0.000 0.904 32 G HN 0.590 nan 8.290 nan 0.000 0.577 33 P HA 0.211 nan 4.420 nan 0.000 0.221 33 P C 0.929 178.232 177.300 0.005 0.000 1.152 33 P CA 0.846 63.949 63.100 0.005 0.000 0.851 33 P CB 0.198 31.901 31.700 0.006 0.000 0.833 34 K N 1.103 121.508 120.400 0.008 0.000 2.627 34 K HA 0.268 4.588 4.320 0.000 0.000 0.212 34 K C 0.998 177.599 176.600 0.002 0.000 1.041 34 K CA -0.131 56.160 56.287 0.006 0.000 1.205 34 K CB -0.503 32.005 32.500 0.012 0.000 0.936 34 K HN 0.116 nan 8.250 nan 0.000 0.489 35 G N 1.408 110.209 108.800 0.001 0.000 2.442 35 G HA2 0.156 4.116 3.960 0.000 0.000 0.249 35 G HA3 0.156 4.116 3.960 0.000 0.000 0.249 35 G C 0.209 175.108 174.900 -0.002 0.000 1.263 35 G CA -0.465 44.635 45.100 -0.001 0.000 0.846 35 G HN 0.068 nan 8.290 nan 0.000 0.555 36 R N 0.938 121.436 120.500 -0.003 0.000 2.531 36 R HA 0.280 4.620 4.340 0.000 0.000 0.260 36 R C -0.247 176.052 176.300 -0.003 0.000 1.144 36 R CA -0.884 55.214 56.100 -0.003 0.000 1.171 36 R CB 0.038 30.336 30.300 -0.003 0.000 1.199 36 R HN 0.578 nan 8.270 nan 0.000 0.594 37 N N -1.098 117.601 118.700 -0.002 0.000 2.443 37 N HA 0.387 5.127 4.740 0.000 0.000 0.295 37 N C -1.160 174.348 175.510 -0.003 0.000 1.076 37 N CA -0.522 52.526 53.050 -0.003 0.000 0.919 37 N CB 1.810 40.296 38.487 -0.002 0.000 1.176 37 N HN 0.086 nan 8.380 nan 0.000 0.487 38 V N 1.962 121.874 119.914 -0.004 0.000 2.487 38 V HA 0.375 4.495 4.120 0.000 0.000 0.298 38 V C -0.522 175.569 176.094 -0.005 0.000 1.028 38 V CA -0.826 61.471 62.300 -0.005 0.000 0.860 38 V CB 1.740 33.560 31.823 -0.005 0.000 0.991 38 V HN 0.376 nan 8.190 nan 0.000 0.427 39 V N 6.317 126.229 119.914 -0.005 0.000 2.383 39 V HA 0.429 4.549 4.120 0.000 0.000 0.275 39 V C -0.060 176.030 176.094 -0.007 0.000 1.036 39 V CA -0.456 61.841 62.300 -0.005 0.000 0.889 39 V CB 1.205 33.026 31.823 -0.004 0.000 0.985 39 V HN 0.627 nan 8.190 nan 0.000 0.459 40 L N 3.594 124.813 121.223 -0.007 0.000 2.321 40 L HA 0.397 4.737 4.340 0.000 0.000 0.272 40 L C 0.166 177.028 176.870 -0.013 0.000 1.050 40 L CA -0.499 54.334 54.840 -0.011 0.000 0.893 40 L CB 0.814 42.866 42.059 -0.011 0.000 1.272 40 L HN 0.626 nan 8.230 nan 0.000 0.435 41 D N 3.159 123.549 120.400 -0.016 0.000 2.629 41 D HA -0.048 4.592 4.640 0.000 0.000 0.228 41 D C 0.001 176.284 176.300 -0.029 0.000 1.127 41 D CA 1.143 55.131 54.000 -0.020 0.000 0.855 41 D CB 0.871 41.657 40.800 -0.024 0.000 1.180 41 D HN 0.337 nan 8.370 nan 0.000 0.484 42 K N 1.041 121.425 120.400 -0.028 0.000 2.258 42 K HA 0.366 4.686 4.320 0.000 0.000 0.236 42 K C 1.050 177.608 176.600 -0.070 0.000 1.008 42 K CA -0.587 55.676 56.287 -0.039 0.000 0.869 42 K CB 1.217 33.710 32.500 -0.011 0.000 1.171 42 K HN 0.542 nan 8.250 nan 0.000 0.447 43 S N 0.803 116.419 115.700 -0.139 0.000 2.309 43 S HA 0.048 4.518 4.470 0.000 0.000 0.206 43 S C 0.465 174.950 174.600 -0.191 0.000 1.028 43 S CA 0.467 58.496 58.200 -0.285 0.000 0.972 43 S CB -0.339 62.521 63.200 -0.566 0.000 0.961 43 S HN 0.366 nan 8.310 nan 0.000 0.449 44 F N 3.137 123.086 119.950 -0.002 0.000 2.404 44 F HA 0.708 5.235 4.527 0.000 0.000 0.358 44 F C 1.237 177.036 175.800 -0.002 0.000 1.120 44 F CA 0.031 58.030 58.000 -0.002 0.000 1.144 44 F CB 0.584 39.583 39.000 -0.002 0.000 1.133 44 F HN 0.817 nan 8.300 nan 0.000 0.495 45 G N 1.324 110.237 108.800 0.188 0.000 2.352 45 G HA2 0.379 4.339 3.960 0.000 0.000 0.324 45 G HA3 0.379 4.339 3.960 0.000 0.000 0.324 45 G C -1.457 173.480 174.900 0.063 0.000 1.249 45 G CA -0.588 44.574 45.100 0.102 0.000 1.053 45 G HN 0.902 nan 8.290 nan 0.000 0.492 46 A N 0.485 123.331 122.820 0.043 0.000 2.304 46 A HA 0.870 5.190 4.320 0.000 0.000 0.301 46 A C -1.655 175.941 177.584 0.019 0.000 1.132 46 A CA -0.772 51.281 52.037 0.027 0.000 0.819 46 A CB 0.182 19.195 19.000 0.022 0.000 1.094 46 A HN 0.662 nan 8.150 nan 0.000 0.492 47 P HA 0.157 nan 4.420 nan 0.000 0.270 47 P C -0.275 177.028 177.300 0.005 0.000 1.221 47 P CA 0.371 63.473 63.100 0.004 0.000 0.788 47 P CB 0.355 32.057 31.700 0.002 0.000 0.904 48 T N 1.809 116.363 114.554 0.001 0.000 2.797 48 T HA 0.550 4.900 4.350 0.000 0.000 0.279 48 T C 0.065 174.765 174.700 -0.000 0.000 0.991 48 T CA -0.340 61.761 62.100 0.002 0.000 0.979 48 T CB 0.246 69.115 68.868 0.001 0.000 0.943 48 T HN 0.154 nan 8.240 nan 0.000 0.444 49 I N 2.640 123.211 120.570 0.001 0.000 2.362 49 I HA 0.583 4.753 4.170 0.000 0.000 0.289 49 I C 0.391 176.508 176.117 -0.001 0.000 0.994 49 I CA -0.495 60.804 61.300 -0.000 0.000 1.158 49 I CB 1.751 39.751 38.000 0.001 0.000 1.315 49 I HN 0.517 nan 8.210 nan 0.000 0.451 50 T N 4.174 118.727 114.554 -0.002 0.000 2.762 50 T HA 0.416 4.766 4.350 0.000 0.000 0.301 50 T C -0.300 174.398 174.700 -0.003 0.000 1.299 50 T CA -0.556 61.542 62.100 -0.002 0.000 1.005 50 T CB 1.833 70.700 68.868 -0.003 0.000 1.377 50 T HN 0.681 nan 8.240 nan 0.000 0.504 51 K N 0.743 121.141 120.400 -0.003 0.000 2.533 51 K HA 0.207 4.527 4.320 0.000 0.000 0.202 51 K C -0.859 175.738 176.600 -0.005 0.000 1.096 51 K CA -0.249 56.035 56.287 -0.004 0.000 1.056 51 K CB 0.628 33.126 32.500 -0.003 0.000 0.890 51 K HN 0.371 nan 8.250 nan 0.000 0.552 52 D N 0.923 121.319 120.400 -0.006 0.000 2.483 52 D HA 0.084 4.724 4.640 0.000 0.000 0.220 52 D C 1.328 177.622 176.300 -0.009 0.000 1.173 52 D CA -0.065 53.930 54.000 -0.008 0.000 0.964 52 D CB 0.651 41.446 40.800 -0.008 0.000 1.046 52 D HN 0.278 nan 8.370 nan 0.000 0.517 53 G N 2.076 110.871 108.800 -0.008 0.000 2.581 53 G HA2 -0.284 3.676 3.960 0.000 0.000 0.223 53 G HA3 -0.284 3.676 3.960 0.000 0.000 0.223 53 G C 1.443 176.337 174.900 -0.011 0.000 1.094 53 G CA 0.954 46.049 45.100 -0.008 0.000 0.736 53 G HN 0.472 nan 8.290 nan 0.000 0.588 54 V N 0.523 120.429 119.914 -0.013 0.000 2.283 54 V HA -0.130 3.990 4.120 0.000 0.000 0.243 54 V C 2.992 179.078 176.094 -0.014 0.000 1.039 54 V CA 2.129 64.420 62.300 -0.016 0.000 1.016 54 V CB -0.627 31.185 31.823 -0.019 0.000 0.650 54 V HN 0.369 nan 8.190 nan 0.000 0.449 55 S N -0.046 115.647 115.700 -0.012 0.000 2.399 55 S HA -0.157 4.313 4.470 0.000 0.000 0.231 55 S C 1.974 176.568 174.600 -0.011 0.000 1.022 55 S CA 1.354 59.548 58.200 -0.011 0.000 0.983 55 S CB -0.192 63.003 63.200 -0.009 0.000 0.803 55 S HN 0.354 nan 8.310 nan 0.000 0.480 56 V N 1.582 121.489 119.914 -0.010 0.000 2.515 56 V HA -0.154 3.966 4.120 0.000 0.000 0.250 56 V C 2.451 178.538 176.094 -0.011 0.000 1.058 56 V CA 1.493 63.787 62.300 -0.010 0.000 1.064 56 V CB -1.050 30.768 31.823 -0.009 0.000 0.675 56 V HN 0.527 nan 8.190 nan 0.000 0.461 57 A N -0.230 122.583 122.820 -0.012 0.000 1.832 57 A HA -0.188 4.132 4.320 0.000 0.000 0.214 57 A C 2.332 179.908 177.584 -0.014 0.000 1.200 57 A CA 1.578 53.608 52.037 -0.012 0.000 0.610 57 A CB -0.652 18.340 19.000 -0.014 0.000 0.842 57 A HN 0.377 nan 8.150 nan 0.000 0.444 58 R N -0.267 120.224 120.500 -0.015 0.000 2.208 58 R HA -0.191 4.149 4.340 0.000 0.000 0.262 58 R C 0.994 177.285 176.300 -0.016 0.000 1.166 58 R CA 1.719 57.809 56.100 -0.016 0.000 0.987 58 R CB -0.319 29.971 30.300 -0.016 0.000 0.887 58 R HN 0.509 nan 8.270 nan 0.000 0.459 59 E N 0.053 120.244 120.200 -0.015 0.000 2.416 59 E HA 0.060 4.410 4.350 0.000 0.000 0.189 59 E C 0.183 176.774 176.600 -0.015 0.000 1.091 59 E CA 0.189 56.579 56.400 -0.016 0.000 0.889 59 E CB 0.159 29.849 29.700 -0.016 0.000 1.015 59 E HN 0.231 nan 8.360 nan 0.000 0.479 60 I N 1.006 121.568 120.570 -0.013 0.000 2.437 60 I HA 0.310 4.480 4.170 0.000 0.000 0.298 60 I C 0.174 176.285 176.117 -0.011 0.000 0.984 60 I CA -0.329 60.965 61.300 -0.011 0.000 1.214 60 I CB 1.464 39.459 38.000 -0.009 0.000 1.365 60 I HN -0.024 nan 8.210 nan 0.000 0.469 61 E N 6.255 126.449 120.200 -0.010 0.000 3.397 61 E HA 0.254 4.604 4.350 0.000 0.000 0.380 61 E C -1.923 174.671 176.600 -0.010 0.000 0.989 61 E CA -0.408 55.987 56.400 -0.009 0.000 0.783 61 E CB 1.054 30.747 29.700 -0.013 0.000 1.334 61 E HN 0.440 nan 8.360 nan 0.000 0.457 62 L N 2.724 123.944 121.223 -0.006 0.000 2.472 62 L HA 0.416 4.756 4.340 0.000 0.000 0.256 62 L C 1.657 178.518 176.870 -0.016 0.000 1.111 62 L CA -0.466 54.370 54.840 -0.008 0.000 0.800 62 L CB 0.639 42.698 42.059 -0.000 0.000 1.286 62 L HN 0.735 nan 8.230 nan 0.000 0.479 63 E N 0.260 120.448 120.200 -0.020 0.000 2.022 63 E HA -0.154 4.196 4.350 0.000 0.000 0.190 63 E C 0.434 177.006 176.600 -0.046 0.000 0.973 63 E CA 0.119 56.500 56.400 -0.032 0.000 0.816 63 E CB 0.139 29.820 29.700 -0.031 0.000 0.781 63 E HN 0.682 nan 8.360 nan 0.000 0.456 64 D N 1.346 121.721 120.400 -0.043 0.000 2.433 64 D HA -0.109 4.531 4.640 0.000 0.000 0.274 64 D C 0.670 176.925 176.300 -0.075 0.000 1.344 64 D CA 0.170 54.129 54.000 -0.068 0.000 0.989 64 D CB 0.549 41.332 40.800 -0.029 0.000 1.116 64 D HN 0.116 nan 8.370 nan 0.000 0.533 65 K N 3.397 123.705 120.400 -0.153 0.000 2.184 65 K HA -0.233 4.087 4.320 0.000 0.000 0.210 65 K C 1.730 178.327 176.600 -0.005 0.000 1.048 65 K CA 1.371 57.572 56.287 -0.143 0.000 0.931 65 K CB -0.383 31.951 32.500 -0.277 0.000 0.718 65 K HN 0.465 nan 8.250 nan 0.000 0.465 66 F N 1.416 121.353 119.950 -0.022 0.000 2.074 66 F HA -0.031 4.496 4.527 0.000 0.000 0.290 66 F C 2.484 178.274 175.800 -0.015 0.000 1.118 66 F CA 0.665 58.652 58.000 -0.020 0.000 1.199 66 F CB -1.144 37.841 39.000 -0.025 0.000 1.012 66 F HN 0.101 nan 8.300 nan 0.000 0.472 67 E N 0.254 120.569 120.200 0.191 0.000 2.108 67 E HA -0.352 3.998 4.350 0.000 0.000 0.203 67 E C 1.900 178.543 176.600 0.072 0.000 1.022 67 E CA 1.848 58.307 56.400 0.098 0.000 0.823 67 E CB -0.676 29.059 29.700 0.059 0.000 0.744 67 E HN 0.405 nan 8.360 nan 0.000 0.456 68 N N 0.593 119.330 118.700 0.061 0.000 2.061 68 N HA -0.198 4.542 4.740 0.000 0.000 0.193 68 N C 1.913 177.452 175.510 0.049 0.000 1.030 68 N CA 1.653 54.726 53.050 0.039 0.000 0.856 68 N CB -0.077 38.424 38.487 0.022 0.000 1.023 68 N HN 0.085 nan 8.380 nan 0.000 0.424 69 M N -0.411 119.238 119.600 0.082 0.000 2.089 69 M HA -0.154 4.326 4.480 0.000 0.000 0.257 69 M C 2.194 178.521 176.300 0.046 0.000 1.071 69 M CA 1.940 57.286 55.300 0.076 0.000 1.096 69 M CB -0.870 31.806 32.600 0.126 0.000 1.330 69 M HN 0.428 nan 8.290 nan 0.000 0.403 70 G N -0.237 108.589 108.800 0.045 0.000 2.524 70 G HA2 -0.165 3.795 3.960 0.000 0.000 0.215 70 G HA3 -0.165 3.795 3.960 0.000 0.000 0.215 70 G C 1.530 176.440 174.900 0.017 0.000 1.239 70 G CA 1.047 46.161 45.100 0.023 0.000 0.798 70 G HN 0.568 nan 8.290 nan 0.000 0.557 71 A N -0.617 122.215 122.820 0.019 0.000 2.148 71 A HA -0.115 4.205 4.320 0.000 0.000 0.222 71 A C 2.277 179.865 177.584 0.006 0.000 1.161 71 A CA 1.994 54.037 52.037 0.011 0.000 0.662 71 A CB -0.261 18.745 19.000 0.011 0.000 0.799 71 A HN 0.387 nan 8.150 nan 0.000 0.466 72 Q N -1.394 118.412 119.800 0.010 0.000 2.398 72 Q HA 0.129 4.469 4.340 0.000 0.000 0.204 72 Q C 1.900 177.899 176.000 -0.002 0.000 0.932 72 Q CA 0.642 56.447 55.803 0.004 0.000 0.916 72 Q CB -0.011 28.733 28.738 0.009 0.000 1.024 72 Q HN 0.826 nan 8.270 nan 0.000 0.504 73 M N -0.769 118.832 119.600 0.001 0.000 2.142 73 M HA -0.087 4.393 4.480 0.000 0.000 0.256 73 M C 2.222 178.515 176.300 -0.011 0.000 1.098 73 M CA 0.957 56.254 55.300 -0.004 0.000 1.151 73 M CB -0.764 31.836 32.600 0.001 0.000 1.299 73 M HN 0.042 nan 8.290 nan 0.000 0.431 74 V N 1.074 120.985 119.914 -0.005 0.000 2.370 74 V HA -0.337 3.783 4.120 0.000 0.000 0.252 74 V C 2.189 178.273 176.094 -0.017 0.000 1.068 74 V CA 2.516 64.812 62.300 -0.006 0.000 1.061 74 V CB -0.700 31.124 31.823 0.002 0.000 0.656 74 V HN 0.552 nan 8.190 nan 0.000 0.455 75 K N -0.683 119.707 120.400 -0.016 0.000 2.057 75 K HA -0.214 4.106 4.320 0.000 0.000 0.207 75 K C 2.328 178.906 176.600 -0.037 0.000 1.049 75 K CA 1.806 58.080 56.287 -0.022 0.000 0.931 75 K CB -0.295 32.196 32.500 -0.016 0.000 0.714 75 K HN 0.573 nan 8.250 nan 0.000 0.440 76 E N 0.431 120.608 120.200 -0.039 0.000 2.208 76 E HA -0.118 4.232 4.350 0.000 0.000 0.193 76 E C 1.862 178.404 176.600 -0.096 0.000 0.988 76 E CA 0.599 56.966 56.400 -0.056 0.000 0.828 76 E CB 0.148 29.824 29.700 -0.041 0.000 0.763 76 E HN 0.187 nan 8.360 nan 0.000 0.478 77 V N 0.474 120.328 119.914 -0.100 0.000 2.379 77 V HA -0.093 4.027 4.120 0.000 0.000 0.243 77 V C 2.289 178.243 176.094 -0.234 0.000 1.035 77 V CA 1.603 63.797 62.300 -0.178 0.000 1.035 77 V CB -0.280 31.485 31.823 -0.097 0.000 0.673 77 V HN 0.285 nan 8.190 nan 0.000 0.457 78 A N 0.568 123.321 122.820 -0.111 0.000 1.917 78 A HA -0.272 4.048 4.320 0.000 0.000 0.219 78 A C 2.522 180.043 177.584 -0.105 0.000 1.182 78 A CA 2.748 54.743 52.037 -0.071 0.000 0.633 78 A CB -1.176 17.809 19.000 -0.025 0.000 0.819 78 A HN 0.909 nan 8.150 nan 0.000 0.448 79 S N -0.196 115.439 115.700 -0.108 0.000 2.440 79 S HA -0.234 4.236 4.470 0.000 0.000 0.240 79 S C 1.700 176.221 174.600 -0.131 0.000 1.014 79 S CA 1.729 59.872 58.200 -0.095 0.000 0.980 79 S CB -0.423 62.729 63.200 -0.079 0.000 0.775 79 S HN 0.661 nan 8.310 nan 0.000 0.499 80 K N 1.143 121.388 120.400 -0.258 0.000 2.155 80 K HA 0.202 4.522 4.320 0.000 0.000 0.203 80 K C 2.601 179.109 176.600 -0.154 0.000 1.052 80 K CA 0.878 56.957 56.287 -0.348 0.000 0.948 80 K CB -0.483 31.507 32.500 -0.850 0.000 0.728 80 K HN 0.481 nan 8.250 nan 0.000 0.448 81 A N 1.924 124.708 122.820 -0.061 0.000 1.865 81 A HA -0.270 4.050 4.320 0.000 0.000 0.217 81 A C 1.929 179.565 177.584 0.086 0.000 1.191 81 A CA 2.111 54.257 52.037 0.182 0.000 0.623 81 A CB -0.824 18.283 19.000 0.178 0.000 0.826 81 A HN 0.305 nan 8.150 nan 0.000 0.444 82 N N 0.014 118.725 118.700 0.018 0.000 2.104 82 N HA -0.162 4.578 4.740 0.000 0.000 0.190 82 N C 1.242 176.746 175.510 -0.009 0.000 1.024 82 N CA 1.711 54.755 53.050 -0.010 0.000 0.853 82 N CB -0.217 38.249 38.487 -0.034 0.000 1.008 82 N HN 0.436 nan 8.380 nan 0.000 0.424 83 D N -0.483 119.915 120.400 -0.004 0.000 2.182 83 D HA -0.122 4.518 4.640 0.000 0.000 0.201 83 D C 1.577 177.907 176.300 0.049 0.000 0.986 83 D CA 1.216 55.220 54.000 0.007 0.000 0.847 83 D CB -0.191 40.600 40.800 -0.014 0.000 0.942 83 D HN 0.435 nan 8.370 nan 0.000 0.467 84 A N 0.915 123.784 122.820 0.082 0.000 1.859 84 A HA 0.301 4.622 4.320 0.000 0.000 0.212 84 A C 2.143 179.784 177.584 0.095 0.000 1.238 84 A CA 1.405 53.502 52.037 0.101 0.000 0.613 84 A CB -0.761 18.327 19.000 0.147 0.000 0.904 84 A HN 0.204 nan 8.150 nan 0.000 0.457 85 A N -1.745 121.128 122.820 0.088 0.000 1.833 85 A HA 0.401 4.721 4.320 0.000 0.000 0.215 85 A C 1.836 179.472 177.584 0.086 0.000 1.275 85 A CA 2.188 54.273 52.037 0.080 0.000 0.602 85 A CB -0.872 18.165 19.000 0.061 0.000 0.929 85 A HN 1.651 nan 8.150 nan 0.000 0.462 86 G N -2.303 106.508 108.800 0.020 0.000 4.362 86 G HA2 0.323 4.283 3.960 0.000 0.000 0.220 86 G HA3 0.323 4.283 3.960 0.000 0.000 0.220 86 G C -0.383 174.474 174.900 -0.071 0.000 0.795 86 G CA 0.746 45.799 45.100 -0.079 0.000 0.920 86 G HN 0.780 nan 8.290 nan 0.000 0.715 87 D N -2.816 117.573 120.400 -0.020 0.000 2.851 87 D HA 0.518 5.158 4.640 0.000 0.000 0.339 87 D C 1.189 177.496 176.300 0.011 0.000 1.347 87 D CA 1.098 55.091 54.000 -0.012 0.000 0.888 87 D CB 0.293 41.089 40.800 -0.006 0.000 1.431 87 D HN 1.187 nan 8.370 nan 0.000 0.509 88 G N -1.019 107.789 108.800 0.013 0.000 2.308 88 G HA2 -0.332 3.628 3.960 0.000 0.000 0.221 88 G HA3 -0.332 3.628 3.960 0.000 0.000 0.221 88 G C 1.387 176.302 174.900 0.026 0.000 1.032 88 G CA 1.165 46.281 45.100 0.026 0.000 0.623 88 G HN 1.259 nan 8.290 nan 0.000 0.506 89 T N -0.646 113.918 114.554 0.017 0.000 2.649 89 T HA -0.240 4.110 4.350 0.000 0.000 0.268 89 T C 2.227 176.930 174.700 0.006 0.000 1.036 89 T CA 3.204 65.309 62.100 0.007 0.000 1.157 89 T CB -1.235 67.627 68.868 -0.010 0.000 0.861 89 T HN 0.680 nan 8.240 nan 0.000 0.445 90 T N 1.493 116.049 114.554 0.003 0.000 2.788 90 T HA -0.073 4.277 4.350 0.000 0.000 0.268 90 T C 2.244 176.948 174.700 0.006 0.000 1.044 90 T CA 1.825 63.926 62.100 0.001 0.000 1.139 90 T CB -0.857 68.011 68.868 -0.001 0.000 0.867 90 T HN 0.657 nan 8.240 nan 0.000 0.454 91 T N 2.073 116.633 114.554 0.011 0.000 2.770 91 T HA 0.094 4.444 4.350 0.000 0.000 0.263 91 T C 2.496 177.209 174.700 0.022 0.000 1.039 91 T CA 0.919 63.028 62.100 0.015 0.000 1.142 91 T CB -0.690 68.188 68.868 0.017 0.000 0.868 91 T HN 0.409 nan 8.240 nan 0.000 0.435 92 A N 2.056 124.895 122.820 0.033 0.000 1.859 92 A HA -0.234 4.086 4.320 0.000 0.000 0.218 92 A C 2.569 180.171 177.584 0.030 0.000 1.209 92 A CA 2.585 54.650 52.037 0.046 0.000 0.639 92 A CB -1.679 17.359 19.000 0.063 0.000 0.835 92 A HN 0.477 nan 8.150 nan 0.000 0.450 93 T N -0.767 113.798 114.554 0.019 0.000 2.653 93 T HA -0.198 4.152 4.350 0.000 0.000 0.268 93 T C 1.829 176.534 174.700 0.010 0.000 1.035 93 T CA 1.853 63.960 62.100 0.011 0.000 1.154 93 T CB -0.722 68.147 68.868 0.003 0.000 0.862 93 T HN 0.415 nan 8.240 nan 0.000 0.441 94 V N 0.540 120.459 119.914 0.009 0.000 2.667 94 V HA 0.013 4.133 4.120 0.000 0.000 0.252 94 V C 2.057 178.155 176.094 0.007 0.000 1.065 94 V CA 1.246 63.549 62.300 0.005 0.000 1.083 94 V CB -0.493 31.331 31.823 0.002 0.000 0.692 94 V HN 0.478 nan 8.190 nan 0.000 0.468 95 L N 0.059 121.290 121.223 0.013 0.000 2.007 95 L HA 0.026 4.366 4.340 0.000 0.000 0.205 95 L C 2.885 179.764 176.870 0.015 0.000 1.073 95 L CA 1.543 56.391 54.840 0.014 0.000 0.744 95 L CB -0.959 41.113 42.059 0.021 0.000 0.898 95 L HN 0.394 nan 8.230 nan 0.000 0.435 96 A N -0.455 122.377 122.820 0.020 0.000 1.869 96 A HA -0.366 3.954 4.320 0.000 0.000 0.218 96 A C 2.220 179.811 177.584 0.013 0.000 1.203 96 A CA 2.329 54.378 52.037 0.020 0.000 0.638 96 A CB -0.975 18.038 19.000 0.021 0.000 0.831 96 A HN 0.523 nan 8.150 nan 0.000 0.450 97 Q N -0.773 119.033 119.800 0.010 0.000 2.082 97 Q HA -0.301 4.039 4.340 0.000 0.000 0.211 97 Q C 2.304 178.307 176.000 0.005 0.000 1.002 97 Q CA 2.468 58.275 55.803 0.006 0.000 0.868 97 Q CB -0.432 28.309 28.738 0.004 0.000 0.931 97 Q HN 0.658 nan 8.270 nan 0.000 0.414 98 A N 0.555 123.378 122.820 0.005 0.000 1.883 98 A HA -0.205 4.115 4.320 0.000 0.000 0.217 98 A C 2.001 179.588 177.584 0.004 0.000 1.186 98 A CA 1.755 53.794 52.037 0.003 0.000 0.624 98 A CB -0.730 18.272 19.000 0.003 0.000 0.822 98 A HN 0.486 nan 8.150 nan 0.000 0.444 99 I N -0.305 120.269 120.570 0.007 0.000 2.133 99 I HA -0.238 3.932 4.170 0.000 0.000 0.238 99 I C 2.326 178.446 176.117 0.006 0.000 1.074 99 I CA 1.434 62.738 61.300 0.007 0.000 1.342 99 I CB -0.550 37.456 38.000 0.010 0.000 1.053 99 I HN 0.269 nan 8.210 nan 0.000 0.404 100 I N 0.869 121.443 120.570 0.006 0.000 2.194 100 I HA -0.312 3.858 4.170 0.000 0.000 0.246 100 I C 2.577 178.696 176.117 0.003 0.000 1.093 100 I CA 1.839 63.142 61.300 0.005 0.000 1.355 100 I CB -0.966 37.037 38.000 0.006 0.000 1.046 100 I HN 0.325 nan 8.210 nan 0.000 0.413 101 T N -0.138 114.418 114.554 0.003 0.000 2.788 101 T HA -0.141 4.209 4.350 0.000 0.000 0.268 101 T C 1.788 176.489 174.700 0.002 0.000 1.044 101 T CA 1.181 63.282 62.100 0.002 0.000 1.139 101 T CB -0.130 68.740 68.868 0.002 0.000 0.867 101 T HN 0.300 nan 8.240 nan 0.000 0.454 102 E N 0.364 120.565 120.200 0.002 0.000 2.318 102 E HA 0.141 4.491 4.350 0.000 0.000 0.193 102 E C 2.399 179.000 176.600 0.002 0.000 0.998 102 E CA 0.418 56.819 56.400 0.001 0.000 0.859 102 E CB -0.432 29.269 29.700 0.001 0.000 0.812 102 E HN 0.529 nan 8.360 nan 0.000 0.492 103 G N 1.718 110.519 108.800 0.002 0.000 2.505 103 G HA2 -0.211 3.749 3.960 0.000 0.000 0.214 103 G HA3 -0.211 3.749 3.960 0.000 0.000 0.214 103 G C 1.622 176.523 174.900 0.001 0.000 1.237 103 G CA 0.465 45.566 45.100 0.002 0.000 0.802 103 G HN 0.189 nan 8.290 nan 0.000 0.549 104 L N 0.332 121.555 121.223 0.001 0.000 2.261 104 L HA -0.070 4.270 4.340 0.000 0.000 0.216 104 L C 2.726 179.596 176.870 0.001 0.000 1.114 104 L CA 1.244 56.084 54.840 0.000 0.000 0.777 104 L CB -0.354 41.705 42.059 -0.000 0.000 0.910 104 L HN 0.247 nan 8.230 nan 0.000 0.440 105 K N 0.247 120.648 120.400 0.001 0.000 2.217 105 K HA -0.077 4.243 4.320 0.000 0.000 0.202 105 K C 2.086 178.686 176.600 0.001 0.000 1.051 105 K CA 0.931 57.218 56.287 0.001 0.000 0.952 105 K CB 0.111 32.612 32.500 0.001 0.000 0.736 105 K HN 0.298 nan 8.250 nan 0.000 0.453 106 A N 0.171 122.992 122.820 0.001 0.000 1.862 106 A HA -0.012 4.308 4.320 0.000 0.000 0.211 106 A C 2.095 179.679 177.584 0.000 0.000 1.220 106 A CA 0.728 52.765 52.037 0.000 0.000 0.616 106 A CB -0.589 18.412 19.000 0.000 0.000 0.878 106 A HN 0.066 nan 8.150 nan 0.000 0.453 107 V N 0.508 120.421 119.914 -0.000 0.000 2.233 107 V HA -0.358 3.762 4.120 0.000 0.000 0.252 107 V C 2.959 179.053 176.094 -0.000 0.000 1.063 107 V CA 2.347 64.646 62.300 -0.001 0.000 1.032 107 V CB -1.300 30.522 31.823 -0.001 0.000 0.645 107 V HN 0.602 nan 8.190 nan 0.000 0.446 108 A N -0.663 122.157 122.820 0.001 0.000 2.225 108 A HA 0.106 4.426 4.320 0.000 0.000 0.215 108 A C 2.129 179.714 177.584 0.002 0.000 1.164 108 A CA 1.560 53.598 52.037 0.002 0.000 0.710 108 A CB -0.527 18.474 19.000 0.003 0.000 0.780 108 A HN 0.652 nan 8.150 nan 0.000 0.473 109 A N -2.129 120.691 122.820 0.001 0.000 2.195 109 A HA 0.446 4.766 4.320 0.000 0.000 0.210 109 A C 1.622 179.206 177.584 0.000 0.000 1.165 109 A CA 1.204 53.242 52.037 0.001 0.000 0.806 109 A CB -0.315 18.686 19.000 0.001 0.000 0.847 109 A HN 1.662 nan 8.150 nan 0.000 0.482 110 G N -1.998 106.802 108.800 -0.000 0.000 2.227 110 G HA2 -0.133 3.827 3.960 0.000 0.000 0.168 110 G HA3 -0.133 3.827 3.960 0.000 0.000 0.168 110 G C 0.091 174.990 174.900 -0.002 0.000 1.006 110 G CA 0.017 45.116 45.100 -0.001 0.000 0.684 110 G HN 0.276 nan 8.290 nan 0.000 0.489 111 M N 0.833 120.432 119.600 -0.002 0.000 2.359 111 M HA 0.362 4.842 4.480 0.000 0.000 0.322 111 M C 0.542 176.840 176.300 -0.003 0.000 1.166 111 M CA -0.754 54.545 55.300 -0.002 0.000 1.067 111 M CB 0.763 33.362 32.600 -0.002 0.000 1.523 111 M HN 0.154 nan 8.290 nan 0.000 0.467 112 N N 1.675 120.372 118.700 -0.004 0.000 2.497 112 N HA 0.129 4.869 4.740 0.000 0.000 0.271 112 N C -2.288 173.220 175.510 -0.004 0.000 1.142 112 N CA -1.286 51.761 53.050 -0.005 0.000 0.965 112 N CB 1.357 39.841 38.487 -0.005 0.000 1.077 112 N HN 0.246 nan 8.380 nan 0.000 0.462 113 P HA -0.049 nan 4.420 nan 0.000 0.213 113 P C 1.774 179.072 177.300 -0.003 0.000 1.170 113 P CA 1.166 64.263 63.100 -0.004 0.000 0.893 113 P CB 0.176 31.872 31.700 -0.005 0.000 0.784 114 M N -0.501 119.097 119.600 -0.005 0.000 2.260 114 M HA -0.172 4.308 4.480 0.000 0.000 0.261 114 M C 1.211 177.509 176.300 -0.003 0.000 1.066 114 M CA 1.692 56.990 55.300 -0.004 0.000 1.082 114 M CB -1.517 31.079 32.600 -0.006 0.000 1.388 114 M HN 0.009 nan 8.290 nan 0.000 0.419 115 D N -0.112 120.286 120.400 -0.003 0.000 2.144 115 D HA 0.017 4.657 4.640 0.000 0.000 0.207 115 D C 2.242 178.541 176.300 -0.001 0.000 0.970 115 D CA 0.736 54.734 54.000 -0.002 0.000 0.853 115 D CB -0.219 40.580 40.800 -0.003 0.000 1.007 115 D HN 0.304 nan 8.370 nan 0.000 0.469 116 L N 1.018 122.240 121.223 -0.001 0.000 2.137 116 L HA -0.226 4.114 4.340 0.000 0.000 0.213 116 L C 2.471 179.342 176.870 0.001 0.000 1.085 116 L CA 1.246 56.086 54.840 -0.000 0.000 0.760 116 L CB -0.384 41.675 42.059 -0.000 0.000 0.893 116 L HN 0.044 nan 8.230 nan 0.000 0.434 117 K N 0.298 120.698 120.400 0.001 0.000 2.097 117 K HA -0.203 4.117 4.320 0.000 0.000 0.205 117 K C 2.304 178.905 176.600 0.001 0.000 1.050 117 K CA 1.130 57.418 56.287 0.002 0.000 0.938 117 K CB 0.061 32.562 32.500 0.002 0.000 0.718 117 K HN 0.123 nan 8.250 nan 0.000 0.442 118 R N -0.194 120.306 120.500 0.000 0.000 2.057 118 R HA -0.049 4.291 4.340 0.000 0.000 0.229 118 R C 2.375 178.675 176.300 -0.001 0.000 1.136 118 R CA 1.595 57.695 56.100 -0.001 0.000 0.952 118 R CB -0.668 29.631 30.300 -0.001 0.000 0.848 118 R HN 0.380 nan 8.270 nan 0.000 0.430 119 G N 1.180 109.980 108.800 -0.001 0.000 2.513 119 G HA2 -0.307 3.653 3.960 0.000 0.000 0.219 119 G HA3 -0.307 3.653 3.960 0.000 0.000 0.219 119 G C 1.443 176.343 174.900 -0.000 0.000 1.160 119 G CA 1.268 46.368 45.100 -0.001 0.000 0.767 119 G HN 0.293 nan 8.290 nan 0.000 0.571 120 I N 0.656 121.226 120.570 0.000 0.000 2.142 120 I HA -0.133 4.037 4.170 0.000 0.000 0.240 120 I C 2.274 178.390 176.117 -0.000 0.000 1.078 120 I CA 1.361 62.661 61.300 0.001 0.000 1.343 120 I CB -0.199 37.803 38.000 0.003 0.000 1.046 120 I HN 0.093 nan 8.210 nan 0.000 0.405 121 D N 0.542 120.942 120.400 -0.001 0.000 2.218 121 D HA -0.187 4.453 4.640 0.000 0.000 0.204 121 D C 2.018 178.315 176.300 -0.005 0.000 0.976 121 D CA 1.012 55.010 54.000 -0.003 0.000 0.853 121 D CB -0.024 40.775 40.800 -0.002 0.000 0.939 121 D HN 0.341 nan 8.370 nan 0.000 0.481 122 K N 0.853 121.251 120.400 -0.004 0.000 1.991 122 K HA -0.038 4.282 4.320 0.000 0.000 0.207 122 K C 2.133 178.731 176.600 -0.004 0.000 1.045 122 K CA 0.988 57.272 56.287 -0.004 0.000 0.937 122 K CB -0.033 32.466 32.500 -0.003 0.000 0.720 122 K HN -0.065 nan 8.250 nan 0.000 0.438 123 A N 0.840 123.659 122.820 -0.003 0.000 1.958 123 A HA -0.174 4.146 4.320 0.000 0.000 0.221 123 A C 2.205 179.786 177.584 -0.004 0.000 1.178 123 A CA 1.950 53.985 52.037 -0.002 0.000 0.642 123 A CB -0.738 18.262 19.000 -0.001 0.000 0.816 123 A HN 0.217 nan 8.150 nan 0.000 0.453 124 V N -0.751 119.160 119.914 -0.006 0.000 2.239 124 V HA -0.191 3.929 4.120 0.000 0.000 0.242 124 V C 2.673 178.759 176.094 -0.013 0.000 1.038 124 V CA 2.355 64.649 62.300 -0.010 0.000 1.002 124 V CB -1.310 30.506 31.823 -0.013 0.000 0.641 124 V HN 0.604 nan 8.190 nan 0.000 0.449 125 T N 0.662 115.208 114.554 -0.014 0.000 2.792 125 T HA -0.280 4.070 4.350 0.000 0.000 0.268 125 T C 1.844 176.537 174.700 -0.012 0.000 1.059 125 T CA 1.767 63.858 62.100 -0.015 0.000 1.136 125 T CB -0.438 68.422 68.868 -0.012 0.000 0.846 125 T HN 0.576 nan 8.240 nan 0.000 0.489 126 A N 1.378 124.194 122.820 -0.008 0.000 1.843 126 A HA 0.412 4.732 4.320 0.000 0.000 0.213 126 A C 2.706 180.287 177.584 -0.005 0.000 1.202 126 A CA 1.334 53.368 52.037 -0.005 0.000 0.607 126 A CB -1.238 17.760 19.000 -0.003 0.000 0.847 126 A HN 0.491 nan 8.150 nan 0.000 0.445 127 A N -0.380 122.438 122.820 -0.005 0.000 2.024 127 A HA -0.012 4.308 4.320 0.000 0.000 0.220 127 A C 2.087 179.667 177.584 -0.006 0.000 1.164 127 A CA 1.778 53.813 52.037 -0.003 0.000 0.643 127 A CB -0.876 18.123 19.000 -0.003 0.000 0.806 127 A HN 0.432 nan 8.150 nan 0.000 0.451 128 V N -0.313 119.594 119.914 -0.012 0.000 2.626 128 V HA -0.235 3.885 4.120 0.000 0.000 0.252 128 V C 2.257 178.344 176.094 -0.012 0.000 1.067 128 V CA 2.214 64.505 62.300 -0.016 0.000 1.081 128 V CB -0.703 31.105 31.823 -0.026 0.000 0.686 128 V HN 0.657 nan 8.190 nan 0.000 0.468 129 E N -0.221 119.974 120.200 -0.008 0.000 2.075 129 E HA -0.139 4.211 4.350 0.000 0.000 0.190 129 E C 2.173 178.773 176.600 -0.001 0.000 0.969 129 E CA 0.572 56.969 56.400 -0.005 0.000 0.815 129 E CB -0.104 29.593 29.700 -0.004 0.000 0.776 129 E HN 0.423 nan 8.360 nan 0.000 0.457 130 E N 0.990 121.190 120.200 0.000 0.000 2.284 130 E HA -0.206 4.144 4.350 0.000 0.000 0.200 130 E C 1.714 178.317 176.600 0.005 0.000 1.008 130 E CA 0.597 56.999 56.400 0.004 0.000 0.829 130 E CB -0.048 29.655 29.700 0.004 0.000 0.744 130 E HN 0.121 nan 8.360 nan 0.000 0.491 131 L N 0.197 121.421 121.223 0.003 0.000 2.162 131 L HA 0.020 4.360 4.340 0.000 0.000 0.205 131 L C 1.675 178.547 176.870 0.004 0.000 1.086 131 L CA 1.318 56.160 54.840 0.004 0.000 0.778 131 L CB -0.012 42.047 42.059 0.000 0.000 0.928 131 L HN -0.076 nan 8.230 nan 0.000 0.446 132 K N -0.433 119.967 120.400 0.001 0.000 2.574 132 K HA -0.016 4.304 4.320 0.000 0.000 0.193 132 K C 1.778 178.381 176.600 0.004 0.000 1.035 132 K CA 0.568 56.856 56.287 0.002 0.000 0.982 132 K CB -0.050 32.450 32.500 -0.001 0.000 0.795 132 K HN 0.440 nan 8.250 nan 0.000 0.491 133 A N 1.456 124.280 122.820 0.006 0.000 1.835 133 A HA -0.074 4.246 4.320 0.000 0.000 0.213 133 A C 1.991 179.582 177.584 0.011 0.000 1.210 133 A CA 0.729 52.771 52.037 0.008 0.000 0.605 133 A CB -0.479 18.526 19.000 0.009 0.000 0.860 133 A HN 0.106 nan 8.150 nan 0.000 0.447 134 L N 0.407 121.638 121.223 0.013 0.000 2.081 134 L HA -0.118 4.222 4.340 0.000 0.000 0.212 134 L C 1.554 178.433 176.870 0.016 0.000 1.080 134 L CA 1.208 56.058 54.840 0.017 0.000 0.754 134 L CB -1.272 40.800 42.059 0.021 0.000 0.893 134 L HN 0.430 nan 8.230 nan 0.000 0.433 135 S N 0.449 116.156 115.700 0.012 0.000 3.225 135 S HA -0.013 4.457 4.470 0.000 0.000 0.378 135 S C -0.137 174.469 174.600 0.011 0.000 1.190 135 S CA -0.276 57.931 58.200 0.011 0.000 1.104 135 S CB -0.164 63.041 63.200 0.008 0.000 0.795 135 S HN 0.077 nan 8.310 nan 0.000 0.517 136 V N 9.674 129.595 119.914 0.013 0.000 2.347 136 V HA 0.331 4.451 4.120 0.000 0.000 0.280 136 V C -1.704 174.396 176.094 0.010 0.000 1.021 136 V CA -1.797 60.511 62.300 0.012 0.000 0.847 136 V CB 1.006 32.837 31.823 0.014 0.000 0.990 136 V HN 0.747 nan 8.190 nan 0.000 0.444 137 P HA -0.086 nan 4.420 nan 0.000 0.274 137 P C -0.207 177.098 177.300 0.008 0.000 1.224 137 P CA 0.113 63.217 63.100 0.007 0.000 0.803 137 P CB 0.311 32.015 31.700 0.006 0.000 0.876 138 C N 1.132 120.435 119.300 0.006 0.000 3.079 138 C HA 0.302 4.762 4.460 0.000 0.000 0.246 138 C C 1.178 176.170 174.990 0.004 0.000 1.025 138 C CA 0.029 59.050 59.018 0.006 0.000 1.081 138 C CB -1.363 26.381 27.740 0.007 0.000 1.757 138 C HN 0.549 nan 8.230 nan 0.000 0.646 139 S N 0.610 116.312 115.700 0.003 0.000 2.527 139 S HA 0.086 4.556 4.470 0.000 0.000 0.227 139 S C 0.359 174.960 174.600 0.001 0.000 1.059 139 S CA 0.168 58.369 58.200 0.002 0.000 0.919 139 S CB 0.047 63.248 63.200 0.002 0.000 0.805 139 S HN 0.921 nan 8.310 nan 0.000 0.500 140 D N 2.342 122.743 120.400 0.002 0.000 2.348 140 D HA 0.080 4.720 4.640 0.000 0.000 0.253 140 D C 0.689 176.990 176.300 0.001 0.000 1.161 140 D CA 0.011 54.012 54.000 0.001 0.000 0.876 140 D CB 1.114 41.916 40.800 0.002 0.000 1.160 140 D HN 0.165 nan 8.370 nan 0.000 0.459 141 S N 1.655 117.355 115.700 0.000 0.000 2.559 141 S HA -0.243 4.227 4.470 0.000 0.000 0.250 141 S C 1.349 175.949 174.600 0.001 0.000 0.977 141 S CA 0.714 58.914 58.200 0.000 0.000 0.958 141 S CB -0.304 62.896 63.200 -0.001 0.000 0.751 141 S HN 0.660 nan 8.310 nan 0.000 0.534 142 K N 1.334 121.735 120.400 0.002 0.000 2.141 142 K HA 0.255 4.576 4.320 0.000 0.000 0.202 142 K C 2.235 178.837 176.600 0.003 0.000 1.045 142 K CA 0.744 57.033 56.287 0.002 0.000 0.971 142 K CB -0.433 32.068 32.500 0.003 0.000 0.795 142 K HN 0.354 nan 8.250 nan 0.000 0.459 143 A N 1.326 124.149 122.820 0.004 0.000 2.014 143 A HA -0.002 4.318 4.320 0.000 0.000 0.218 143 A C 1.978 179.565 177.584 0.005 0.000 1.163 143 A CA 0.741 52.781 52.037 0.005 0.000 0.652 143 A CB -0.428 18.575 19.000 0.006 0.000 0.808 143 A HN 0.322 nan 8.150 nan 0.000 0.449 144 I N -0.316 120.256 120.570 0.004 0.000 2.286 144 I HA -0.289 3.881 4.170 0.000 0.000 0.248 144 I C 2.959 179.078 176.117 0.004 0.000 1.115 144 I CA 0.977 62.280 61.300 0.004 0.000 1.392 144 I CB -0.275 37.726 38.000 0.001 0.000 1.065 144 I HN 0.388 nan 8.210 nan 0.000 0.418 145 A N 0.382 123.204 122.820 0.004 0.000 1.858 145 A HA -0.278 4.042 4.320 0.000 0.000 0.216 145 A C 2.204 179.791 177.584 0.005 0.000 1.190 145 A CA 1.641 53.680 52.037 0.004 0.000 0.617 145 A CB -0.734 18.268 19.000 0.003 0.000 0.827 145 A HN 0.465 nan 8.150 nan 0.000 0.443 146 Q N -0.519 119.285 119.800 0.006 0.000 2.152 146 Q HA -0.150 4.190 4.340 0.000 0.000 0.206 146 Q C 2.121 178.126 176.000 0.008 0.000 0.985 146 Q CA 1.685 57.492 55.803 0.007 0.000 0.863 146 Q CB -0.477 28.265 28.738 0.007 0.000 0.904 146 Q HN 0.512 nan 8.270 nan 0.000 0.422 147 V N 0.319 120.238 119.914 0.009 0.000 2.229 147 V HA -0.182 3.938 4.120 0.000 0.000 0.243 147 V C 2.289 178.391 176.094 0.012 0.000 1.042 147 V CA 2.058 64.365 62.300 0.011 0.000 1.000 147 V CB -1.255 30.576 31.823 0.012 0.000 0.637 147 V HN 0.550 nan 8.190 nan 0.000 0.446 148 G N -0.709 108.098 108.800 0.012 0.000 2.475 148 G HA2 -0.290 3.670 3.960 0.000 0.000 0.220 148 G HA3 -0.290 3.670 3.960 0.000 0.000 0.220 148 G C 1.651 176.557 174.900 0.011 0.000 1.125 148 G CA 1.747 46.854 45.100 0.013 0.000 0.755 148 G HN 0.483 nan 8.290 nan 0.000 0.565 149 T N 0.990 115.549 114.554 0.009 0.000 2.821 149 T HA 0.017 4.367 4.350 0.000 0.000 0.267 149 T C 2.299 177.004 174.700 0.008 0.000 1.046 149 T CA 0.822 62.926 62.100 0.007 0.000 1.139 149 T CB -0.089 68.782 68.868 0.006 0.000 0.871 149 T HN 0.320 nan 8.240 nan 0.000 0.454 150 I N 0.687 121.262 120.570 0.009 0.000 2.876 150 I HA 0.002 4.172 4.170 0.000 0.000 0.264 150 I C 2.119 178.242 176.117 0.010 0.000 1.204 150 I CA 0.543 61.848 61.300 0.008 0.000 1.485 150 I CB -0.087 37.919 38.000 0.009 0.000 1.103 150 I HN 0.109 nan 8.210 nan 0.000 0.446 151 S N 0.835 116.543 115.700 0.013 0.000 2.527 151 S HA 0.149 4.619 4.470 0.000 0.000 0.222 151 S C 1.662 176.271 174.600 0.015 0.000 0.985 151 S CA 0.720 58.929 58.200 0.016 0.000 0.921 151 S CB 0.144 63.359 63.200 0.024 0.000 0.772 151 S HN 0.480 nan 8.310 nan 0.000 0.529 152 A N 1.355 124.182 122.820 0.012 0.000 2.500 152 A HA 0.445 4.765 4.320 0.000 0.000 0.267 152 A C 0.558 178.146 177.584 0.007 0.000 1.290 152 A CA -0.382 51.662 52.037 0.011 0.000 0.928 152 A CB -0.407 18.599 19.000 0.010 0.000 1.066 152 A HN 0.365 nan 8.150 nan 0.000 0.516 153 N N -0.206 118.498 118.700 0.006 0.000 2.746 153 N HA -0.209 4.531 4.740 0.000 0.000 0.250 153 N C 0.212 175.724 175.510 0.003 0.000 1.055 153 N CA 1.040 54.092 53.050 0.004 0.000 0.699 153 N CB -1.852 36.636 38.487 0.003 0.000 0.919 153 N HN 0.514 nan 8.380 nan 0.000 0.548 154 S N -1.530 114.172 115.700 0.003 0.000 3.490 154 S HA -0.234 4.236 4.470 0.000 0.000 0.301 154 S C -0.350 174.252 174.600 0.002 0.000 1.233 154 S CA 0.844 59.045 58.200 0.002 0.000 0.914 154 S CB -1.025 62.176 63.200 0.000 0.000 1.047 154 S HN 0.771 nan 8.310 nan 0.000 0.602 155 D N 1.370 121.772 120.400 0.004 0.000 2.441 155 D HA 0.218 4.858 4.640 0.000 0.000 0.221 155 D C 1.125 177.427 176.300 0.004 0.000 1.156 155 D CA -0.262 53.740 54.000 0.003 0.000 0.896 155 D CB 0.495 41.297 40.800 0.004 0.000 1.028 155 D HN 0.478 nan 8.370 nan 0.000 0.509 156 E N 1.347 121.548 120.200 0.003 0.000 2.171 156 E HA -0.176 4.174 4.350 0.000 0.000 0.197 156 E C 1.516 178.117 176.600 0.003 0.000 0.997 156 E CA 1.253 57.655 56.400 0.003 0.000 0.810 156 E CB 0.154 29.856 29.700 0.002 0.000 0.738 156 E HN 0.495 nan 8.360 nan 0.000 0.467 157 T N 1.012 115.567 114.554 0.002 0.000 2.699 157 T HA -0.176 4.174 4.350 0.000 0.000 0.268 157 T C 2.098 176.800 174.700 0.003 0.000 1.036 157 T CA 1.426 63.527 62.100 0.002 0.000 1.147 157 T CB -0.303 68.567 68.868 0.002 0.000 0.862 157 T HN 0.001 nan 8.240 nan 0.000 0.446 158 V N 1.501 121.417 119.914 0.004 0.000 2.216 158 V HA -0.102 4.018 4.120 0.000 0.000 0.243 158 V C 2.927 179.024 176.094 0.004 0.000 1.044 158 V CA 2.013 64.316 62.300 0.005 0.000 0.995 158 V CB -1.636 30.191 31.823 0.007 0.000 0.633 158 V HN 0.573 nan 8.190 nan 0.000 0.446 159 G N 0.002 108.805 108.800 0.005 0.000 2.663 159 G HA2 -0.451 3.509 3.960 0.000 0.000 0.222 159 G HA3 -0.451 3.509 3.960 0.000 0.000 0.222 159 G C 1.633 176.535 174.900 0.002 0.000 1.146 159 G CA 1.818 46.920 45.100 0.004 0.000 0.764 159 G HN 0.544 nan 8.290 nan 0.000 0.608 160 K N 0.059 120.460 120.400 0.002 0.000 2.002 160 K HA 0.028 4.348 4.320 0.000 0.000 0.209 160 K C 2.638 179.238 176.600 -0.001 0.000 1.048 160 K CA 1.158 57.446 56.287 0.000 0.000 0.930 160 K CB -0.377 32.123 32.500 0.000 0.000 0.714 160 K HN 0.350 nan 8.250 nan 0.000 0.438 161 L N 1.144 122.367 121.223 -0.000 0.000 2.034 161 L HA -0.292 4.048 4.340 0.000 0.000 0.217 161 L C 2.501 179.369 176.870 -0.003 0.000 1.077 161 L CA 1.633 56.472 54.840 -0.002 0.000 0.769 161 L CB -0.416 41.643 42.059 -0.001 0.000 0.890 161 L HN 0.329 nan 8.230 nan 0.000 0.435 162 I N -0.793 119.776 120.570 -0.003 0.000 2.090 162 I HA -0.334 3.836 4.170 0.000 0.000 0.236 162 I C 2.810 178.924 176.117 -0.006 0.000 1.064 162 I CA 1.293 62.590 61.300 -0.005 0.000 1.324 162 I CB -0.661 37.337 38.000 -0.003 0.000 1.044 162 I HN 0.254 nan 8.210 nan 0.000 0.399 163 A N 0.604 123.422 122.820 -0.004 0.000 1.915 163 A HA -0.305 4.015 4.320 0.000 0.000 0.220 163 A C 2.180 179.761 177.584 -0.005 0.000 1.198 163 A CA 2.318 54.352 52.037 -0.004 0.000 0.647 163 A CB -0.902 18.097 19.000 -0.002 0.000 0.825 163 A HN 0.550 nan 8.150 nan 0.000 0.456 164 E N -0.630 119.567 120.200 -0.004 0.000 2.153 164 E HA -0.105 4.245 4.350 0.000 0.000 0.194 164 E C 2.316 178.912 176.600 -0.007 0.000 0.988 164 E CA 0.862 57.259 56.400 -0.005 0.000 0.811 164 E CB -0.280 29.418 29.700 -0.004 0.000 0.746 164 E HN 0.676 nan 8.360 nan 0.000 0.466 165 A N 1.305 124.120 122.820 -0.008 0.000 1.854 165 A HA -0.143 4.177 4.320 0.000 0.000 0.214 165 A C 2.182 179.759 177.584 -0.012 0.000 1.192 165 A CA 1.148 53.178 52.037 -0.011 0.000 0.611 165 A CB -0.416 18.576 19.000 -0.014 0.000 0.832 165 A HN 0.104 nan 8.150 nan 0.000 0.442 166 M N -0.831 118.762 119.600 -0.012 0.000 2.213 166 M HA -0.160 4.320 4.480 0.000 0.000 0.263 166 M C 1.354 177.648 176.300 -0.010 0.000 1.062 166 M CA 1.723 57.016 55.300 -0.013 0.000 1.105 166 M CB -0.586 32.006 32.600 -0.012 0.000 1.385 166 M HN 0.361 nan 8.290 nan 0.000 0.417 167 D N 0.292 120.687 120.400 -0.008 0.000 2.378 167 D HA -0.057 4.583 4.640 0.000 0.000 0.227 167 D C 1.780 178.076 176.300 -0.007 0.000 1.012 167 D CA 0.738 54.734 54.000 -0.006 0.000 0.905 167 D CB 0.310 41.107 40.800 -0.005 0.000 0.895 167 D HN 0.038 nan 8.370 nan 0.000 0.532 168 K N -0.682 119.714 120.400 -0.008 0.000 2.399 168 K HA 0.117 4.437 4.320 0.000 0.000 0.196 168 K C 0.857 177.451 176.600 -0.009 0.000 1.103 168 K CA 0.443 56.725 56.287 -0.008 0.000 0.986 168 K CB 1.557 34.052 32.500 -0.008 0.000 0.952 168 K HN 0.150 nan 8.250 nan 0.000 0.541 169 V N -3.000 116.908 119.914 -0.010 0.000 3.261 169 V HA 0.440 4.560 4.120 0.000 0.000 0.330 169 V C 0.252 176.339 176.094 -0.011 0.000 1.461 169 V CA -0.196 62.098 62.300 -0.011 0.000 1.127 169 V CB 0.098 31.912 31.823 -0.014 0.000 1.044 169 V HN 0.216 nan 8.190 nan 0.000 0.499 170 G N 2.543 111.337 108.800 -0.010 0.000 2.778 170 G HA2 -0.211 3.749 3.960 0.000 0.000 0.686 170 G HA3 -0.211 3.749 3.960 0.000 0.000 0.686 170 G C 0.265 175.157 174.900 -0.012 0.000 1.309 170 G CA -0.004 45.090 45.100 -0.010 0.000 0.904 170 G HN 0.788 nan 8.290 nan 0.000 0.593 171 K N 0.381 120.775 120.400 -0.011 0.000 2.640 171 K HA -0.033 4.287 4.320 0.000 0.000 0.193 171 K C 0.629 177.220 176.600 -0.015 0.000 1.036 171 K CA 1.401 57.681 56.287 -0.012 0.000 0.962 171 K CB 0.374 32.869 32.500 -0.009 0.000 0.791 171 K HN 0.522 nan 8.250 nan 0.000 0.491 172 E N 1.069 121.261 120.200 -0.014 0.000 2.624 172 E HA 0.123 4.473 4.350 0.000 0.000 0.210 172 E C 0.431 177.021 176.600 -0.017 0.000 0.997 172 E CA -0.095 56.297 56.400 -0.014 0.000 0.999 172 E CB 1.169 30.863 29.700 -0.009 0.000 1.040 172 E HN 0.413 nan 8.360 nan 0.000 0.469 173 G N 0.418 109.206 108.800 -0.020 0.000 2.557 173 G HA2 0.433 4.393 3.960 0.000 0.000 0.302 173 G HA3 0.433 4.393 3.960 0.000 0.000 0.302 173 G C -0.051 174.831 174.900 -0.031 0.000 1.311 173 G CA -0.431 44.657 45.100 -0.021 0.000 1.030 173 G HN -0.037 nan 8.290 nan 0.000 0.509 174 V N 0.038 119.934 119.914 -0.030 0.000 2.509 174 V HA 0.570 4.690 4.120 0.000 0.000 0.284 174 V C -0.089 175.980 176.094 -0.042 0.000 1.047 174 V CA -0.347 61.929 62.300 -0.040 0.000 0.952 174 V CB 0.923 32.724 31.823 -0.036 0.000 0.988 174 V HN 0.483 nan 8.190 nan 0.000 0.469 175 I N 3.088 123.626 120.570 -0.053 0.000 2.571 175 I HA 0.508 4.678 4.170 0.000 0.000 0.289 175 I C -0.410 175.675 176.117 -0.052 0.000 1.115 175 I CA -0.154 61.117 61.300 -0.049 0.000 1.045 175 I CB 2.487 40.456 38.000 -0.051 0.000 1.238 175 I HN 0.615 nan 8.210 nan 0.000 0.424 176 T N 4.579 119.111 114.554 -0.038 0.000 2.907 176 T HA 0.591 4.941 4.350 0.000 0.000 0.292 176 T C -0.482 174.206 174.700 -0.020 0.000 1.043 176 T CA -0.721 61.359 62.100 -0.032 0.000 1.003 176 T CB 2.478 71.328 68.868 -0.031 0.000 1.084 176 T HN 0.382 nan 8.240 nan 0.000 0.483 177 V N 0.129 120.036 119.914 -0.012 0.000 2.378 177 V HA 0.636 4.756 4.120 0.000 0.000 0.288 177 V C -0.171 175.922 176.094 -0.002 0.000 1.016 177 V CA -0.813 61.485 62.300 -0.004 0.000 0.840 177 V CB 0.959 32.784 31.823 0.004 0.000 0.994 177 V HN 0.863 nan 8.190 nan 0.000 0.431 178 E N 2.583 122.781 120.200 -0.004 0.000 2.961 178 E HA 0.424 4.774 4.350 0.000 0.000 0.254 178 E C -0.920 175.681 176.600 0.000 0.000 1.192 178 E CA -0.932 55.466 56.400 -0.003 0.000 1.069 178 E CB 0.829 30.526 29.700 -0.006 0.000 1.338 178 E HN 0.762 nan 8.360 nan 0.000 0.596 179 D N -0.135 120.265 120.400 -0.000 0.000 2.277 179 D HA 0.281 4.921 4.640 0.000 0.000 0.250 179 D C -0.140 176.160 176.300 -0.000 0.000 1.032 179 D CA -0.222 53.779 54.000 0.001 0.000 0.947 179 D CB 1.472 42.273 40.800 0.002 0.000 1.159 179 D HN 0.440 nan 8.370 nan 0.000 0.460 180 G N -0.928 107.873 108.800 0.001 0.000 2.539 180 G HA2 0.287 4.247 3.960 0.000 0.000 0.258 180 G HA3 0.287 4.247 3.960 0.000 0.000 0.258 180 G C 0.836 175.736 174.900 -0.001 0.000 1.202 180 G CA -0.307 44.793 45.100 -0.000 0.000 0.851 180 G HN 0.449 nan 8.290 nan 0.000 0.556 181 T N -2.720 111.833 114.554 -0.001 0.000 3.069 181 T HA 0.469 4.819 4.350 0.000 0.000 0.252 181 T C 0.980 175.679 174.700 -0.001 0.000 1.053 181 T CA 0.521 62.620 62.100 -0.002 0.000 0.964 181 T CB 0.345 69.211 68.868 -0.003 0.000 1.005 181 T HN 2.008 nan 8.240 nan 0.000 0.532 182 G N 2.010 110.810 108.800 -0.000 0.000 2.314 182 G HA2 0.305 4.265 3.960 0.000 0.000 0.286 182 G HA3 0.305 4.265 3.960 0.000 0.000 0.286 182 G C -0.571 174.329 174.900 -0.000 0.000 1.270 182 G CA -0.616 44.484 45.100 -0.000 0.000 1.277 182 G HN 0.624 nan 8.290 nan 0.000 0.635 183 L N -0.022 121.201 121.223 0.000 0.000 0.611 183 L HA -0.184 4.156 4.340 0.000 0.000 0.356 183 L C 0.474 177.344 176.870 -0.000 0.000 1.007 183 L CA 2.331 57.171 54.840 0.000 0.000 1.222 183 L CB -0.321 41.739 42.059 0.000 0.000 0.016 183 L HN 1.795 nan 8.230 nan 0.000 0.101 184 Q N 1.546 121.346 119.800 -0.000 0.000 2.667 184 Q HA -0.123 4.217 4.340 0.000 0.000 0.210 184 Q C -0.610 175.390 176.000 -0.001 0.000 1.417 184 Q CA 1.021 56.824 55.803 -0.000 0.000 0.607 184 Q CB -0.575 28.162 28.738 -0.001 0.000 0.739 184 Q HN 0.600 nan 8.270 nan 0.000 0.315 185 D N 3.356 123.755 120.400 -0.001 0.000 2.455 185 D HA 0.035 4.675 4.640 0.000 0.000 0.241 185 D C 0.306 176.605 176.300 -0.002 0.000 1.138 185 D CA 0.765 54.764 54.000 -0.001 0.000 0.877 185 D CB 0.716 41.516 40.800 -0.001 0.000 1.187 185 D HN 0.307 nan 8.370 nan 0.000 0.451 186 E N 0.305 120.503 120.200 -0.003 0.000 2.221 186 E HA 0.596 4.946 4.350 0.000 0.000 0.268 186 E C -0.900 175.698 176.600 -0.005 0.000 0.933 186 E CA -0.990 55.408 56.400 -0.004 0.000 0.809 186 E CB 2.255 31.952 29.700 -0.004 0.000 1.190 186 E HN 0.124 nan 8.360 nan 0.000 0.406 187 L N 2.800 124.020 121.223 -0.005 0.000 2.543 187 L HA 0.407 4.747 4.340 0.000 0.000 0.265 187 L C -2.200 174.666 176.870 -0.007 0.000 0.945 187 L CA -0.269 54.567 54.840 -0.006 0.000 0.869 187 L CB 1.770 43.825 42.059 -0.006 0.000 1.294 187 L HN 0.596 nan 8.230 nan 0.000 0.405 188 D N 3.560 123.955 120.400 -0.008 0.000 2.623 188 D HA 0.432 5.072 4.640 0.000 0.000 0.241 188 D C -1.309 174.985 176.300 -0.009 0.000 1.241 188 D CA -0.423 53.573 54.000 -0.008 0.000 0.788 188 D CB 2.101 42.896 40.800 -0.007 0.000 1.413 188 D HN 0.298 nan 8.370 nan 0.000 0.429 189 V N 0.317 120.226 119.914 -0.008 0.000 2.427 189 V HA 0.570 4.690 4.120 0.000 0.000 0.286 189 V C 0.387 176.476 176.094 -0.008 0.000 1.034 189 V CA -0.631 61.664 62.300 -0.009 0.000 0.893 189 V CB 1.213 33.031 31.823 -0.008 0.000 0.982 189 V HN 0.596 nan 8.190 nan 0.000 0.452 190 V N 1.336 121.245 119.914 -0.009 0.000 2.962 190 V HA 0.649 4.769 4.120 0.000 0.000 0.313 190 V C -0.320 175.770 176.094 -0.006 0.000 1.099 190 V CA -1.030 61.265 62.300 -0.008 0.000 0.971 190 V CB 2.174 33.991 31.823 -0.010 0.000 1.028 190 V HN 0.704 nan 8.190 nan 0.000 0.430 191 E N 2.442 122.640 120.200 -0.004 0.000 2.341 191 E HA 0.465 4.815 4.350 0.000 0.000 0.256 191 E C 0.355 176.956 176.600 0.001 0.000 1.125 191 E CA 0.848 57.248 56.400 -0.000 0.000 0.939 191 E CB 0.759 30.460 29.700 0.002 0.000 0.991 191 E HN 1.099 nan 8.360 nan 0.000 0.458 192 G N 1.683 110.485 108.800 0.003 0.000 2.911 192 G HA2 0.751 4.711 3.960 0.000 0.000 0.299 192 G HA3 0.751 4.711 3.960 0.000 0.000 0.299 192 G C -0.910 174.000 174.900 0.016 0.000 1.283 192 G CA -0.545 44.559 45.100 0.005 0.000 0.805 192 G HN 0.417 nan 8.290 nan 0.000 0.548 193 M N -0.911 118.699 119.600 0.017 0.000 2.956 193 M HA 0.519 4.999 4.480 0.000 0.000 0.272 193 M C -2.475 173.827 176.300 0.003 0.000 1.132 193 M CA -0.624 54.700 55.300 0.040 0.000 0.805 193 M CB 2.349 35.008 32.600 0.099 0.000 1.639 193 M HN 0.643 nan 8.290 nan 0.000 0.520 194 Q N 2.690 122.501 119.800 0.020 0.000 2.281 194 Q HA 0.546 4.886 4.340 0.000 0.000 0.263 194 Q C -2.263 173.741 176.000 0.005 0.000 0.989 194 Q CA -0.518 55.225 55.803 -0.100 0.000 0.852 194 Q CB 1.876 30.555 28.738 -0.099 0.000 1.337 194 Q HN 0.584 nan 8.270 nan 0.000 0.418 195 F N -0.033 119.910 119.950 -0.013 0.000 2.598 195 F HA 0.548 5.075 4.527 0.000 0.000 0.327 195 F C 0.105 175.899 175.800 -0.011 0.000 1.057 195 F CA -1.140 56.855 58.000 -0.009 0.000 0.957 195 F CB 0.970 39.968 39.000 -0.003 0.000 1.278 195 F HN 0.286 nan 8.300 nan 0.000 0.484 196 D N 2.400 122.932 120.400 0.220 0.000 2.982 196 D HA 0.094 4.734 4.640 0.000 0.000 0.238 196 D C -0.179 176.202 176.300 0.135 0.000 1.168 196 D CA 0.341 54.410 54.000 0.114 0.000 0.947 196 D CB -0.051 40.802 40.800 0.088 0.000 1.147 196 D HN 0.240 nan 8.370 nan 0.000 0.450 197 R N -0.018 120.585 120.500 0.171 0.000 2.686 197 R HA 0.591 4.931 4.340 0.000 0.000 0.286 197 R C 0.367 176.674 176.300 0.012 0.000 0.969 197 R CA -0.718 55.475 56.100 0.155 0.000 0.898 197 R CB 2.179 32.690 30.300 0.350 0.000 1.183 197 R HN 0.101 nan 8.270 nan 0.000 0.456 198 G N 0.878 109.653 108.800 -0.042 0.000 2.667 198 G HA2 0.453 4.413 3.960 0.000 0.000 0.310 198 G HA3 0.453 4.413 3.960 0.000 0.000 0.310 198 G C -0.753 174.104 174.900 -0.071 0.000 1.259 198 G CA -0.562 44.426 45.100 -0.186 0.000 1.019 198 G HN 0.434 nan 8.290 nan 0.000 0.496 199 Y N -0.829 119.493 120.300 0.037 0.000 2.550 199 Y HA 0.279 4.829 4.550 0.000 0.000 0.343 199 Y C 1.350 177.314 175.900 0.107 0.000 1.245 199 Y CA -1.052 57.081 58.100 0.055 0.000 1.462 199 Y CB 0.194 38.724 38.460 0.117 0.000 1.340 199 Y HN 0.212 nan 8.280 nan 0.000 0.604 200 L N 1.277 122.744 121.223 0.407 0.000 2.240 200 L HA 0.052 4.392 4.340 0.000 0.000 0.211 200 L C 0.519 177.600 176.870 0.351 0.000 1.106 200 L CA 1.179 56.222 54.840 0.338 0.000 0.793 200 L CB -0.459 41.768 42.059 0.280 0.000 0.927 200 L HN 0.839 nan 8.230 nan 0.000 0.446 201 S N -3.120 112.813 115.700 0.387 0.000 2.543 201 S HA 0.485 4.955 4.470 0.000 0.000 0.274 201 S C -2.757 171.691 174.600 -0.252 0.000 1.149 201 S CA -1.203 57.044 58.200 0.078 0.000 0.866 201 S CB 2.048 65.273 63.200 0.043 0.000 1.111 201 S HN -0.286 nan 8.310 nan 0.000 0.457 202 P HA 0.213 nan 4.420 nan 0.000 0.317 202 P C 0.253 177.236 177.300 -0.529 0.000 1.427 202 P CA 0.552 63.169 63.100 -0.804 0.000 0.820 202 P CB -0.154 31.076 31.700 -0.782 0.000 1.894 203 Y N -4.574 115.550 120.300 -0.294 0.000 2.843 203 Y HA -0.313 4.237 4.550 0.000 0.000 0.492 203 Y C 1.958 177.732 175.900 -0.210 0.000 1.055 203 Y CA 1.476 59.415 58.100 -0.268 0.000 2.997 203 Y CB -3.171 35.075 38.460 -0.356 0.000 0.837 203 Y HN 0.083 nan 8.280 nan 0.000 0.553 204 F N 0.478 120.437 119.950 0.015 0.000 2.236 204 F HA -0.122 4.405 4.527 0.000 0.000 0.302 204 F C 1.504 177.303 175.800 -0.000 0.000 1.073 204 F CA 0.976 58.983 58.000 0.012 0.000 1.336 204 F CB -0.746 38.257 39.000 0.004 0.000 1.040 204 F HN -0.011 nan 8.300 nan 0.000 0.507 205 I N 2.498 123.137 120.570 0.115 0.000 2.943 205 I HA -0.225 3.945 4.170 0.000 0.000 0.296 205 I C 0.752 176.914 176.117 0.076 0.000 1.220 205 I CA 0.534 61.874 61.300 0.067 0.000 1.409 205 I CB -0.124 37.865 38.000 -0.019 0.000 1.374 205 I HN 0.239 nan 8.210 nan 0.000 0.545 206 N N 4.848 123.596 118.700 0.081 0.000 2.184 206 N HA 0.070 4.810 4.740 0.000 0.000 0.206 206 N C -0.021 175.519 175.510 0.050 0.000 1.151 206 N CA -0.135 52.954 53.050 0.065 0.000 0.878 206 N CB 0.478 39.006 38.487 0.068 0.000 1.014 206 N HN 0.486 nan 8.380 nan 0.000 0.512 207 K N 1.144 121.575 120.400 0.050 0.000 2.842 207 K HA 0.245 4.565 4.320 0.000 0.000 0.176 207 K C -2.150 174.474 176.600 0.039 0.000 1.080 207 K CA -1.558 54.753 56.287 0.041 0.000 0.954 207 K CB 1.870 34.394 32.500 0.041 0.000 1.203 207 K HN 0.000 nan 8.250 nan 0.000 0.611 208 P HA -0.176 nan 4.420 nan 0.000 0.231 208 P C 0.209 177.522 177.300 0.022 0.000 1.154 208 P CA 1.101 64.216 63.100 0.024 0.000 0.762 208 P CB 0.503 32.214 31.700 0.019 0.000 0.790 209 E N -0.152 120.062 120.200 0.023 0.000 2.021 209 E HA -0.075 4.275 4.350 0.000 0.000 0.189 209 E C 2.065 178.676 176.600 0.019 0.000 0.980 209 E CA 1.698 58.109 56.400 0.018 0.000 0.803 209 E CB -0.919 28.791 29.700 0.018 0.000 0.766 209 E HN 0.200 nan 8.360 nan 0.000 0.449 210 T N -1.289 113.282 114.554 0.028 0.000 2.942 210 T HA 0.112 4.462 4.350 0.000 0.000 0.265 210 T C 1.357 176.082 174.700 0.043 0.000 1.062 210 T CA 0.907 63.026 62.100 0.032 0.000 1.139 210 T CB 0.018 68.910 68.868 0.041 0.000 0.883 210 T HN 0.419 nan 8.240 nan 0.000 0.468 211 G N 1.071 109.904 108.800 0.055 0.000 2.130 211 G HA2 0.109 4.069 3.960 0.000 0.000 0.216 211 G HA3 0.109 4.069 3.960 0.000 0.000 0.216 211 G C 0.036 175.024 174.900 0.148 0.000 0.999 211 G CA -0.058 45.091 45.100 0.081 0.000 0.686 211 G HN 0.908 nan 8.290 nan 0.000 0.515 212 A N -1.527 121.369 122.820 0.127 0.000 2.486 212 A HA 0.990 5.310 4.320 0.000 0.000 0.277 212 A C -0.274 177.391 177.584 0.136 0.000 1.282 212 A CA -0.142 51.996 52.037 0.168 0.000 0.784 212 A CB 1.641 20.707 19.000 0.110 0.000 1.350 212 A HN 1.246 nan 8.150 nan 0.000 0.454 213 V N 0.215 120.213 119.914 0.139 0.000 2.769 213 V HA 0.667 4.787 4.120 0.000 0.000 0.312 213 V C -0.317 175.814 176.094 0.062 0.000 1.058 213 V CA -0.427 61.937 62.300 0.107 0.000 0.952 213 V CB 1.639 33.538 31.823 0.127 0.000 1.019 213 V HN 0.909 nan 8.190 nan 0.000 0.445 214 E N 2.775 123.005 120.200 0.050 0.000 2.274 214 E HA 0.615 4.965 4.350 0.000 0.000 0.269 214 E C -2.019 174.595 176.600 0.024 0.000 0.891 214 E CA -0.536 55.881 56.400 0.028 0.000 0.784 214 E CB 1.688 31.403 29.700 0.025 0.000 1.225 214 E HN 0.623 nan 8.360 nan 0.000 0.412 215 L N 3.394 124.623 121.223 0.010 0.000 2.381 215 L HA 0.522 4.862 4.340 0.000 0.000 0.274 215 L C -0.425 176.438 176.870 -0.011 0.000 0.988 215 L CA -0.875 53.969 54.840 0.006 0.000 0.824 215 L CB 2.002 44.066 42.059 0.008 0.000 1.263 215 L HN 0.475 nan 8.230 nan 0.000 0.410 216 E N 1.482 121.673 120.200 -0.015 0.000 2.156 216 E HA 0.303 4.653 4.350 0.000 0.000 0.279 216 E C -0.161 176.403 176.600 -0.059 0.000 0.965 216 E CA -0.542 55.839 56.400 -0.031 0.000 0.789 216 E CB 1.572 31.259 29.700 -0.022 0.000 1.098 216 E HN 0.634 nan 8.360 nan 0.000 0.397 217 S N 1.721 117.372 115.700 -0.081 0.000 3.614 217 S HA -0.124 4.346 4.470 0.000 0.000 0.360 217 S C -2.037 172.432 174.600 -0.217 0.000 1.023 217 S CA 0.412 58.528 58.200 -0.139 0.000 1.114 217 S CB -1.338 61.783 63.200 -0.131 0.000 0.907 217 S HN 0.514 nan 8.310 nan 0.000 0.470 218 P HA 0.556 nan 4.420 nan 0.000 0.279 218 P C -0.128 177.044 177.300 -0.214 0.000 1.276 218 P CA -0.614 62.398 63.100 -0.147 0.000 0.801 218 P CB 0.548 32.230 31.700 -0.030 0.000 1.127 219 F N -0.529 119.427 119.950 0.011 0.000 2.432 219 F HA 0.478 5.005 4.527 0.000 0.000 0.329 219 F C 0.740 176.548 175.800 0.012 0.000 1.076 219 F CA -0.451 57.556 58.000 0.012 0.000 1.018 219 F CB 0.898 39.905 39.000 0.012 0.000 1.201 219 F HN 0.046 nan 8.300 nan 0.000 0.489 220 I N 3.125 123.838 120.570 0.238 0.000 2.569 220 I HA 0.388 4.558 4.170 0.000 0.000 0.296 220 I C -1.427 174.753 176.117 0.105 0.000 1.028 220 I CA -1.122 60.258 61.300 0.134 0.000 1.082 220 I CB 2.085 40.145 38.000 0.101 0.000 1.264 220 I HN 0.233 nan 8.210 nan 0.000 0.429 221 L N 6.862 128.127 121.223 0.070 0.000 2.280 221 L HA 0.525 4.865 4.340 0.000 0.000 0.287 221 L C -1.089 175.800 176.870 0.032 0.000 1.023 221 L CA -0.191 54.675 54.840 0.043 0.000 0.819 221 L CB 0.974 43.051 42.059 0.031 0.000 1.212 221 L HN 0.473 nan 8.230 nan 0.000 0.420 222 L N 6.155 127.392 121.223 0.024 0.000 2.301 222 L HA 0.794 5.134 4.340 0.000 0.000 0.278 222 L C -0.280 176.592 176.870 0.004 0.000 1.022 222 L CA -0.424 54.423 54.840 0.011 0.000 0.854 222 L CB 1.178 43.243 42.059 0.010 0.000 1.226 222 L HN 0.779 nan 8.230 nan 0.000 0.429 223 A N 1.823 124.644 122.820 0.002 0.000 2.381 223 A HA 0.445 4.765 4.320 0.000 0.000 0.299 223 A C -1.053 176.530 177.584 -0.002 0.000 1.049 223 A CA -0.584 51.454 52.037 0.001 0.000 0.715 223 A CB 1.453 20.456 19.000 0.005 0.000 1.222 223 A HN 0.639 nan 8.150 nan 0.000 0.428 224 D N 2.537 122.935 120.400 -0.004 0.000 2.422 224 D HA 0.486 5.126 4.640 0.000 0.000 0.227 224 D C -0.048 176.254 176.300 0.003 0.000 1.190 224 D CA 0.419 54.417 54.000 -0.004 0.000 0.905 224 D CB -0.288 40.508 40.800 -0.008 0.000 1.034 224 D HN 0.702 nan 8.370 nan 0.000 0.507 225 K N 0.729 121.134 120.400 0.008 0.000 3.663 225 K HA 0.129 4.449 4.320 0.000 0.000 0.413 225 K C -1.402 175.209 176.600 0.018 0.000 1.089 225 K CA -1.132 55.163 56.287 0.013 0.000 0.860 225 K CB 0.243 32.750 32.500 0.011 0.000 1.492 225 K HN 0.024 nan 8.250 nan 0.000 0.517 226 K N 0.858 121.270 120.400 0.021 0.000 2.118 226 K HA 0.515 4.835 4.320 0.000 0.000 0.264 226 K C -0.496 176.120 176.600 0.025 0.000 1.000 226 K CA -0.629 55.674 56.287 0.025 0.000 0.929 226 K CB 0.878 33.394 32.500 0.026 0.000 1.021 226 K HN 0.378 nan 8.250 nan 0.000 0.463 227 I N 1.630 122.219 120.570 0.031 0.000 2.439 227 I HA 0.099 4.269 4.170 0.000 0.000 0.283 227 I C 0.151 176.289 176.117 0.035 0.000 1.023 227 I CA -0.108 61.210 61.300 0.031 0.000 1.100 227 I CB 1.927 39.947 38.000 0.034 0.000 1.238 227 I HN 0.625 nan 8.210 nan 0.000 0.445 228 S N 2.821 118.538 115.700 0.030 0.000 2.931 228 S HA 0.173 4.643 4.470 0.000 0.000 0.251 228 S C 0.708 175.324 174.600 0.026 0.000 1.078 228 S CA -0.132 58.086 58.200 0.030 0.000 0.835 228 S CB 0.291 63.507 63.200 0.025 0.000 0.798 228 S HN 0.574 nan 8.310 nan 0.000 0.495 229 N N 2.913 121.626 118.700 0.022 0.000 2.399 229 N HA 0.187 4.927 4.740 0.000 0.000 0.259 229 N C 0.676 176.197 175.510 0.019 0.000 1.160 229 N CA 0.023 53.084 53.050 0.018 0.000 0.946 229 N CB 0.851 39.347 38.487 0.014 0.000 1.156 229 N HN 0.335 nan 8.380 nan 0.000 0.489 230 I N 3.240 123.823 120.570 0.021 0.000 2.423 230 I HA -0.295 3.875 4.170 0.000 0.000 0.254 230 I C 1.903 178.030 176.117 0.016 0.000 1.151 230 I CA 1.178 62.491 61.300 0.022 0.000 1.421 230 I CB 0.204 38.217 38.000 0.022 0.000 1.079 230 I HN 0.430 nan 8.210 nan 0.000 0.431 231 R N 0.828 121.335 120.500 0.012 0.000 2.119 231 R HA -0.243 4.097 4.340 0.000 0.000 0.246 231 R C 1.943 178.248 176.300 0.007 0.000 1.146 231 R CA 2.167 58.273 56.100 0.009 0.000 0.962 231 R CB -0.479 29.825 30.300 0.007 0.000 0.863 231 R HN 0.573 nan 8.270 nan 0.000 0.442 232 E N -0.186 120.019 120.200 0.009 0.000 2.265 232 E HA -0.173 4.177 4.350 0.000 0.000 0.196 232 E C 1.909 178.512 176.600 0.005 0.000 0.996 232 E CA 0.856 57.260 56.400 0.006 0.000 0.832 232 E CB 0.025 29.731 29.700 0.009 0.000 0.756 232 E HN 0.271 nan 8.360 nan 0.000 0.491 233 M N 0.199 119.804 119.600 0.009 0.000 2.115 233 M HA -0.050 4.430 4.480 0.000 0.000 0.261 233 M C 2.403 178.703 176.300 0.001 0.000 1.079 233 M CA 1.090 56.395 55.300 0.008 0.000 1.143 233 M CB -1.040 31.570 32.600 0.018 0.000 1.332 233 M HN 0.140 nan 8.290 nan 0.000 0.421 234 L N 0.610 121.835 121.223 0.003 0.000 2.143 234 L HA -0.283 4.057 4.340 0.000 0.000 0.231 234 L C -0.443 176.421 176.870 -0.010 0.000 1.106 234 L CA 2.060 56.900 54.840 -0.001 0.000 0.827 234 L CB -2.849 39.211 42.059 0.000 0.000 0.915 234 L HN 0.220 nan 8.230 nan 0.000 0.448 235 P HA -0.106 nan 4.420 nan 0.000 0.226 235 P C 1.373 178.654 177.300 -0.032 0.000 1.146 235 P CA 1.350 64.439 63.100 -0.019 0.000 0.773 235 P CB 0.215 31.906 31.700 -0.016 0.000 0.772 236 V N -1.334 118.560 119.914 -0.033 0.000 3.371 236 V HA 0.072 4.192 4.120 0.000 0.000 0.246 236 V C 2.441 178.504 176.094 -0.051 0.000 1.303 236 V CA 0.232 62.499 62.300 -0.054 0.000 1.156 236 V CB -0.485 31.308 31.823 -0.049 0.000 0.929 236 V HN -0.043 nan 8.190 nan 0.000 0.459 237 L N 0.272 121.481 121.223 -0.023 0.000 2.362 237 L HA -0.065 4.275 4.340 0.000 0.000 0.219 237 L C 2.226 179.090 176.870 -0.010 0.000 1.134 237 L CA 1.467 56.302 54.840 -0.008 0.000 0.807 237 L CB -0.175 41.890 42.059 0.010 0.000 0.927 237 L HN 0.467 nan 8.230 nan 0.000 0.447 238 E N -0.460 119.728 120.200 -0.020 0.000 2.251 238 E HA 0.038 4.388 4.350 0.000 0.000 0.194 238 E C 2.126 178.708 176.600 -0.031 0.000 0.964 238 E CA 0.621 57.011 56.400 -0.016 0.000 0.868 238 E CB 0.140 29.832 29.700 -0.013 0.000 0.828 238 E HN 0.387 nan 8.360 nan 0.000 0.481 239 A N 0.963 123.750 122.820 -0.056 0.000 2.168 239 A HA -0.019 4.301 4.320 0.000 0.000 0.215 239 A C 1.982 179.493 177.584 -0.121 0.000 1.152 239 A CA 0.652 52.639 52.037 -0.084 0.000 0.716 239 A CB 0.094 19.029 19.000 -0.109 0.000 0.794 239 A HN 0.078 nan 8.150 nan 0.000 0.465 240 V N -1.268 118.587 119.914 -0.100 0.000 3.578 240 V HA 0.145 4.265 4.120 0.000 0.000 0.290 240 V C 2.309 178.415 176.094 0.020 0.000 1.376 240 V CA 0.825 63.077 62.300 -0.080 0.000 1.083 240 V CB 0.040 31.819 31.823 -0.074 0.000 0.911 240 V HN 0.531 nan 8.190 nan 0.000 0.433 241 A N -0.271 122.556 122.820 0.011 0.000 1.975 241 A HA 0.085 4.405 4.320 0.000 0.000 0.215 241 A C 1.439 179.046 177.584 0.038 0.000 1.170 241 A CA 0.709 52.764 52.037 0.029 0.000 0.656 241 A CB 0.026 19.036 19.000 0.018 0.000 0.821 241 A HN 0.453 nan 8.150 nan 0.000 0.449 242 K N -2.142 118.274 120.400 0.026 0.000 2.118 242 K HA 0.433 4.753 4.320 0.000 0.000 0.240 242 K C 1.068 177.713 176.600 0.074 0.000 1.035 242 K CA 0.301 56.609 56.287 0.035 0.000 0.899 242 K CB 0.325 32.835 32.500 0.016 0.000 1.085 242 K HN 0.596 nan 8.250 nan 0.000 0.498 243 A N 0.304 123.174 122.820 0.082 0.000 4.115 243 A HA -0.241 4.079 4.320 0.000 0.000 0.268 243 A C 1.205 178.864 177.584 0.124 0.000 0.917 243 A CA 1.800 53.913 52.037 0.127 0.000 1.090 243 A CB -2.442 16.695 19.000 0.230 0.000 1.067 243 A HN 1.391 nan 8.150 nan 0.000 0.828 244 G N -1.235 107.628 108.800 0.104 0.000 2.321 244 G HA2 -0.314 3.646 3.960 0.000 0.000 0.287 244 G HA3 -0.314 3.646 3.960 0.000 0.000 0.287 244 G C -0.014 174.942 174.900 0.094 0.000 1.018 244 G CA 1.521 46.672 45.100 0.085 0.000 0.855 244 G HN 1.166 nan 8.290 nan 0.000 0.507 245 K N 0.710 121.204 120.400 0.156 0.000 2.156 245 K HA 0.521 4.841 4.320 0.000 0.000 0.254 245 K C -2.009 174.693 176.600 0.171 0.000 0.950 245 K CA -1.995 54.366 56.287 0.123 0.000 0.849 245 K CB 2.345 34.866 32.500 0.036 0.000 1.100 245 K HN 0.069 nan 8.250 nan 0.000 0.434 246 P HA 0.122 nan 4.420 nan 0.000 0.274 246 P C -1.125 176.267 177.300 0.154 0.000 1.260 246 P CA -0.523 62.643 63.100 0.110 0.000 0.793 246 P CB 0.647 32.387 31.700 0.067 0.000 1.048 247 L N 0.275 121.573 121.223 0.125 0.000 2.401 247 L HA 0.566 4.906 4.340 0.000 0.000 0.266 247 L C -1.416 175.493 176.870 0.066 0.000 0.991 247 L CA -1.040 53.878 54.840 0.131 0.000 0.818 247 L CB 1.698 43.829 42.059 0.119 0.000 1.321 247 L HN 0.176 nan 8.230 nan 0.000 0.413 248 L N 5.093 126.355 121.223 0.065 0.000 2.322 248 L HA 0.664 5.004 4.340 0.000 0.000 0.281 248 L C -1.224 175.663 176.870 0.028 0.000 1.014 248 L CA -0.232 54.621 54.840 0.021 0.000 0.815 248 L CB 1.448 43.527 42.059 0.033 0.000 1.247 248 L HN 0.428 nan 8.230 nan 0.000 0.421 249 I N 6.781 127.348 120.570 -0.004 0.000 2.362 249 I HA 0.382 4.552 4.170 0.000 0.000 0.289 249 I C -0.394 175.739 176.117 0.026 0.000 0.994 249 I CA -0.287 61.021 61.300 0.012 0.000 1.158 249 I CB 1.249 39.252 38.000 0.005 0.000 1.315 249 I HN 0.535 nan 8.210 nan 0.000 0.451 250 I N 5.730 126.321 120.570 0.035 0.000 2.448 250 I HA 0.673 4.843 4.170 0.000 0.000 0.281 250 I C -0.034 176.089 176.117 0.010 0.000 1.027 250 I CA -0.235 61.083 61.300 0.031 0.000 1.111 250 I CB 1.766 39.786 38.000 0.034 0.000 1.236 250 I HN 0.708 nan 8.210 nan 0.000 0.452 251 A N 4.326 127.152 122.820 0.010 0.000 2.588 251 A HA 0.426 4.746 4.320 0.000 0.000 0.290 251 A C 0.625 178.215 177.584 0.010 0.000 1.136 251 A CA -0.538 51.503 52.037 0.007 0.000 0.681 251 A CB 1.401 20.412 19.000 0.017 0.000 1.282 251 A HN 0.708 nan 8.150 nan 0.000 0.421 252 E N -0.587 119.621 120.200 0.012 0.000 2.147 252 E HA -0.150 4.200 4.350 0.000 0.000 0.199 252 E C 0.117 176.735 176.600 0.031 0.000 1.005 252 E CA 2.120 58.532 56.400 0.020 0.000 0.810 252 E CB 0.072 29.786 29.700 0.023 0.000 0.736 252 E HN 0.639 nan 8.360 nan 0.000 0.460 253 D N -3.108 117.313 120.400 0.034 0.000 2.940 253 D HA 0.113 4.753 4.640 0.000 0.000 0.304 253 D C -2.081 174.248 176.300 0.049 0.000 1.255 253 D CA -0.369 53.658 54.000 0.045 0.000 0.734 253 D CB 1.011 41.838 40.800 0.044 0.000 1.261 253 D HN -0.134 nan 8.370 nan 0.000 0.436 254 V N 1.511 121.461 119.914 0.061 0.000 2.610 254 V HA 0.425 4.545 4.120 0.000 0.000 0.298 254 V C -0.559 175.577 176.094 0.071 0.000 1.067 254 V CA -0.685 61.656 62.300 0.067 0.000 0.894 254 V CB 1.595 33.469 31.823 0.085 0.000 1.015 254 V HN 0.445 nan 8.190 nan 0.000 0.432 255 E N 2.394 122.628 120.200 0.057 0.000 2.250 255 E HA 0.465 4.815 4.350 0.000 0.000 0.269 255 E C 1.421 178.051 176.600 0.051 0.000 1.018 255 E CA -0.148 56.284 56.400 0.052 0.000 0.873 255 E CB 1.625 31.349 29.700 0.040 0.000 1.134 255 E HN 0.775 nan 8.360 nan 0.000 0.403 256 G N 1.609 110.437 108.800 0.047 0.000 3.437 256 G HA2 -0.418 3.542 3.960 0.000 0.000 0.238 256 G HA3 -0.418 3.542 3.960 0.000 0.000 0.238 256 G C 1.219 176.140 174.900 0.035 0.000 1.054 256 G CA 1.660 46.784 45.100 0.040 0.000 0.704 256 G HN 0.539 nan 8.290 nan 0.000 0.713 257 E N 0.715 120.935 120.200 0.034 0.000 2.002 257 E HA 0.136 4.486 4.350 0.000 0.000 0.196 257 E C 2.937 179.558 176.600 0.035 0.000 0.974 257 E CA 0.949 57.366 56.400 0.029 0.000 0.853 257 E CB -0.856 28.859 29.700 0.025 0.000 0.808 257 E HN 0.325 nan 8.360 nan 0.000 0.492 258 A N 1.009 123.854 122.820 0.041 0.000 2.234 258 A HA -0.143 4.177 4.320 0.000 0.000 0.216 258 A C 2.071 179.699 177.584 0.072 0.000 1.167 258 A CA 1.139 53.206 52.037 0.050 0.000 0.698 258 A CB -0.464 18.565 19.000 0.048 0.000 0.779 258 A HN 0.327 nan 8.150 nan 0.000 0.475 259 L N -0.609 120.660 121.223 0.077 0.000 2.056 259 L HA 0.209 4.549 4.340 0.000 0.000 0.202 259 L C 2.508 179.425 176.870 0.078 0.000 1.086 259 L CA 2.110 57.015 54.840 0.108 0.000 0.758 259 L CB -1.001 41.121 42.059 0.105 0.000 0.912 259 L HN 0.223 nan 8.230 nan 0.000 0.446 260 A N -1.675 121.171 122.820 0.044 0.000 2.225 260 A HA -0.125 4.195 4.320 0.000 0.000 0.215 260 A C 2.051 179.632 177.584 -0.004 0.000 1.164 260 A CA 1.862 53.904 52.037 0.009 0.000 0.710 260 A CB -1.057 17.947 19.000 0.006 0.000 0.780 260 A HN 0.596 nan 8.150 nan 0.000 0.473 261 T N -0.099 114.467 114.554 0.020 0.000 2.814 261 T HA 0.056 4.406 4.350 0.000 0.000 0.254 261 T C 1.754 176.470 174.700 0.026 0.000 1.037 261 T CA 1.162 63.273 62.100 0.018 0.000 1.143 261 T CB -0.237 68.649 68.868 0.030 0.000 0.866 261 T HN 0.411 nan 8.240 nan 0.000 0.431 262 L N 1.105 122.370 121.223 0.069 0.000 2.156 262 L HA 0.004 4.344 4.340 0.000 0.000 0.208 262 L C 2.527 179.432 176.870 0.057 0.000 1.095 262 L CA 0.592 55.501 54.840 0.114 0.000 0.770 262 L CB -0.717 41.477 42.059 0.223 0.000 0.914 262 L HN 0.113 nan 8.230 nan 0.000 0.439 263 V N -0.433 119.456 119.914 -0.042 0.000 2.688 263 V HA -0.208 3.912 4.120 0.000 0.000 0.256 263 V C 2.140 178.107 176.094 -0.211 0.000 1.084 263 V CA 1.300 63.450 62.300 -0.250 0.000 1.103 263 V CB -0.169 31.527 31.823 -0.211 0.000 0.688 263 V HN 0.267 nan 8.190 nan 0.000 0.480 264 V N -0.987 118.856 119.914 -0.119 0.000 2.922 264 V HA -0.012 4.108 4.120 0.000 0.000 0.242 264 V C 1.910 177.967 176.094 -0.062 0.000 1.094 264 V CA 1.100 63.332 62.300 -0.114 0.000 1.106 264 V CB -0.476 31.291 31.823 -0.093 0.000 0.799 264 V HN 0.499 nan 8.190 nan 0.000 0.474 265 N N 0.980 119.667 118.700 -0.021 0.000 2.084 265 N HA -0.168 4.572 4.740 0.000 0.000 0.190 265 N C 1.778 177.298 175.510 0.016 0.000 1.030 265 N CA 1.895 54.948 53.050 0.004 0.000 0.849 265 N CB -0.043 38.460 38.487 0.026 0.000 1.012 265 N HN 0.587 nan 8.380 nan 0.000 0.423 266 T N -1.659 112.919 114.554 0.039 0.000 3.194 266 T HA 0.072 4.422 4.350 0.000 0.000 0.251 266 T C 1.404 176.119 174.700 0.025 0.000 1.132 266 T CA 0.126 62.263 62.100 0.062 0.000 1.028 266 T CB 0.105 69.056 68.868 0.140 0.000 0.976 266 T HN 0.031 nan 8.240 nan 0.000 0.535 267 M N 0.656 120.242 119.600 -0.024 0.000 2.466 267 M HA 0.392 4.872 4.480 0.000 0.000 0.265 267 M C 2.148 178.424 176.300 -0.040 0.000 1.122 267 M CA 1.043 56.307 55.300 -0.060 0.000 1.157 267 M CB 0.113 32.633 32.600 -0.133 0.000 1.352 267 M HN 0.061 nan 8.290 nan 0.000 0.464 268 R N -0.547 119.935 120.500 -0.030 0.000 2.297 268 R HA 0.297 4.637 4.340 0.000 0.000 0.197 268 R C 0.874 177.172 176.300 -0.004 0.000 0.943 268 R CA 0.706 56.794 56.100 -0.020 0.000 1.038 268 R CB 0.095 30.383 30.300 -0.020 0.000 0.957 268 R HN 0.598 nan 8.270 nan 0.000 0.484 269 G N 1.134 109.938 108.800 0.006 0.000 2.148 269 G HA2 -0.215 3.745 3.960 0.000 0.000 0.203 269 G HA3 -0.215 3.745 3.960 0.000 0.000 0.203 269 G C 0.119 175.032 174.900 0.023 0.000 0.993 269 G CA -0.529 44.582 45.100 0.018 0.000 0.661 269 G HN 0.210 nan 8.290 nan 0.000 0.518 270 I N 1.914 122.497 120.570 0.022 0.000 2.256 270 I HA 0.383 4.553 4.170 0.000 0.000 0.294 270 I C 0.827 176.968 176.117 0.039 0.000 1.127 270 I CA -0.769 60.546 61.300 0.025 0.000 1.247 270 I CB 0.614 38.624 38.000 0.017 0.000 1.460 270 I HN 0.099 nan 8.210 nan 0.000 0.511 271 V N 4.690 124.631 119.914 0.046 0.000 3.814 271 V HA -0.242 3.878 4.120 0.000 0.000 0.480 271 V C 0.183 176.323 176.094 0.076 0.000 0.682 271 V CA 0.435 62.771 62.300 0.060 0.000 1.959 271 V CB -1.495 30.362 31.823 0.056 0.000 2.372 271 V HN 0.757 nan 8.190 nan 0.000 0.501 272 K N 4.008 124.458 120.400 0.082 0.000 2.368 272 K HA 0.694 5.014 4.320 0.000 0.000 0.282 272 K C -0.177 176.492 176.600 0.114 0.000 1.035 272 K CA -0.129 56.221 56.287 0.105 0.000 0.973 272 K CB 1.353 33.909 32.500 0.094 0.000 0.957 272 K HN 0.529 nan 8.250 nan 0.000 0.474 273 V N 0.663 120.670 119.914 0.154 0.000 3.159 273 V HA 0.869 4.989 4.120 0.000 0.000 0.308 273 V C -1.141 174.980 176.094 0.044 0.000 1.190 273 V CA -1.059 61.305 62.300 0.106 0.000 1.037 273 V CB 2.241 34.130 31.823 0.111 0.000 1.060 273 V HN 0.823 nan 8.190 nan 0.000 0.437 274 A N 1.335 124.026 122.820 -0.216 0.000 2.594 274 A HA 1.039 5.359 4.320 0.000 0.000 0.295 274 A C -0.910 176.377 177.584 -0.496 0.000 1.071 274 A CA -0.053 51.499 52.037 -0.807 0.000 0.685 274 A CB 1.963 20.609 19.000 -0.591 0.000 1.285 274 A HN 1.948 nan 8.150 nan 0.000 0.405 275 A N 0.164 122.631 122.820 -0.589 0.000 2.498 275 A HA 0.928 5.248 4.320 0.000 0.000 0.298 275 A C -0.666 176.868 177.584 -0.082 0.000 1.075 275 A CA -0.092 51.831 52.037 -0.190 0.000 0.714 275 A CB 1.568 20.532 19.000 -0.060 0.000 1.299 275 A HN 2.360 nan 8.150 nan 0.000 0.407 276 V N -1.361 118.564 119.914 0.019 0.000 3.048 276 V HA 0.558 4.678 4.120 0.000 0.000 0.303 276 V C -0.593 175.558 176.094 0.095 0.000 1.214 276 V CA -1.335 61.016 62.300 0.084 0.000 0.984 276 V CB 1.325 33.226 31.823 0.130 0.000 1.054 276 V HN 0.911 nan 8.190 nan 0.000 0.430 277 K N 2.204 122.660 120.400 0.093 0.000 2.469 277 K HA 0.503 4.823 4.320 0.000 0.000 0.274 277 K C 0.796 177.416 176.600 0.032 0.000 0.983 277 K CA 0.521 56.846 56.287 0.063 0.000 0.974 277 K CB 0.738 33.277 32.500 0.064 0.000 0.913 277 K HN 1.148 nan 8.250 nan 0.000 0.493 278 A N 4.184 126.991 122.820 -0.022 0.000 2.364 278 A HA 0.176 4.496 4.320 0.000 0.000 0.258 278 A C -2.020 175.464 177.584 -0.168 0.000 1.131 278 A CA -0.746 51.216 52.037 -0.125 0.000 0.800 278 A CB -0.496 18.449 19.000 -0.091 0.000 1.086 278 A HN 0.546 nan 8.150 nan 0.000 0.508 279 P HA 0.402 nan 4.420 nan 0.000 0.284 279 P C 0.700 177.963 177.300 -0.062 0.000 1.253 279 P CA 1.109 64.066 63.100 -0.237 0.000 0.800 279 P CB 0.862 32.318 31.700 -0.407 0.000 0.961 280 G N 2.824 111.649 108.800 0.042 0.000 2.581 280 G HA2 -0.169 3.791 3.960 0.000 0.000 0.291 280 G HA3 -0.169 3.791 3.960 0.000 0.000 0.291 280 G C -0.507 174.553 174.900 0.267 0.000 1.277 280 G CA 0.739 45.933 45.100 0.157 0.000 0.959 280 G HN 0.772 nan 8.290 nan 0.000 0.554 281 F N -3.425 116.523 119.950 -0.003 0.000 2.831 281 F HA 0.728 5.255 4.527 0.000 0.000 0.318 281 F C 0.924 176.730 175.800 0.010 0.000 1.174 281 F CA 0.378 58.379 58.000 0.002 0.000 0.918 281 F CB 0.705 39.713 39.000 0.013 0.000 1.364 281 F HN 2.449 nan 8.300 nan 0.000 0.475 282 G N 0.981 109.790 108.800 0.015 0.000 2.527 282 G HA2 -0.254 3.706 3.960 0.000 0.000 0.268 282 G HA3 -0.254 3.706 3.960 0.000 0.000 0.268 282 G C 0.149 174.991 174.900 -0.097 0.000 1.175 282 G CA 0.503 45.543 45.100 -0.100 0.000 0.962 282 G HN 0.909 nan 8.290 nan 0.000 0.560 283 D N 0.954 121.279 120.400 -0.125 0.000 2.249 283 D HA -0.011 4.629 4.640 0.000 0.000 0.205 283 D C 2.537 178.778 176.300 -0.099 0.000 0.962 283 D CA 1.184 55.135 54.000 -0.083 0.000 0.860 283 D CB -0.022 40.741 40.800 -0.062 0.000 0.955 283 D HN 0.633 nan 8.370 nan 0.000 0.505 284 R N 1.132 121.542 120.500 -0.150 0.000 2.276 284 R HA 0.065 4.405 4.340 0.000 0.000 0.203 284 R C 2.093 178.321 176.300 -0.120 0.000 1.017 284 R CA 0.366 56.384 56.100 -0.136 0.000 1.010 284 R CB -0.237 29.962 30.300 -0.169 0.000 0.900 284 R HN 0.004 nan 8.270 nan 0.000 0.469 285 R N 2.112 122.543 120.500 -0.116 0.000 2.066 285 R HA -0.062 4.278 4.340 0.000 0.000 0.232 285 R C 1.229 177.488 176.300 -0.069 0.000 1.131 285 R CA 1.536 57.589 56.100 -0.078 0.000 0.955 285 R CB -0.044 30.237 30.300 -0.032 0.000 0.851 285 R HN 0.227 nan 8.270 nan 0.000 0.432 286 K N -0.099 120.267 120.400 -0.056 0.000 2.442 286 K HA -0.018 4.302 4.320 0.000 0.000 0.198 286 K C 1.696 178.266 176.600 -0.049 0.000 1.042 286 K CA 0.901 57.161 56.287 -0.045 0.000 0.958 286 K CB 0.179 32.659 32.500 -0.032 0.000 0.766 286 K HN 0.267 nan 8.250 nan 0.000 0.474 287 A N 0.938 123.722 122.820 -0.059 0.000 1.909 287 A HA 0.060 4.380 4.320 0.000 0.000 0.209 287 A C 2.049 179.596 177.584 -0.062 0.000 1.247 287 A CA 0.266 52.270 52.037 -0.055 0.000 0.660 287 A CB -0.221 18.744 19.000 -0.057 0.000 0.910 287 A HN 0.048 nan 8.150 nan 0.000 0.465 288 M N -0.373 119.179 119.600 -0.079 0.000 2.082 288 M HA -0.186 4.294 4.480 0.000 0.000 0.258 288 M C 2.254 178.493 176.300 -0.102 0.000 1.069 288 M CA 1.870 57.116 55.300 -0.091 0.000 1.102 288 M CB -0.499 32.032 32.600 -0.116 0.000 1.336 288 M HN 0.533 nan 8.290 nan 0.000 0.404 289 L N 0.189 121.346 121.223 -0.111 0.000 2.129 289 L HA -0.282 4.058 4.340 0.000 0.000 0.212 289 L C 2.486 179.318 176.870 -0.064 0.000 1.087 289 L CA 1.570 56.346 54.840 -0.107 0.000 0.757 289 L CB -0.260 41.745 42.059 -0.091 0.000 0.896 289 L HN 0.319 nan 8.230 nan 0.000 0.434 290 Q N 0.031 119.800 119.800 -0.050 0.000 2.167 290 Q HA -0.211 4.129 4.340 0.000 0.000 0.202 290 Q C 1.670 177.656 176.000 -0.024 0.000 0.970 290 Q CA 1.991 57.775 55.803 -0.031 0.000 0.855 290 Q CB -0.175 28.546 28.738 -0.028 0.000 0.911 290 Q HN 0.544 nan 8.270 nan 0.000 0.438 291 D N 0.193 120.575 120.400 -0.030 0.000 2.084 291 D HA -0.163 4.477 4.640 0.000 0.000 0.194 291 D C 1.898 178.196 176.300 -0.004 0.000 0.990 291 D CA 1.420 55.410 54.000 -0.016 0.000 0.826 291 D CB -0.288 40.502 40.800 -0.018 0.000 0.971 291 D HN 0.359 nan 8.370 nan 0.000 0.453 292 I N 1.346 121.910 120.570 -0.009 0.000 2.300 292 I HA -0.319 3.851 4.170 0.000 0.000 0.252 292 I C 2.447 178.576 176.117 0.020 0.000 1.119 292 I CA 1.067 62.376 61.300 0.016 0.000 1.384 292 I CB -0.206 37.794 38.000 -0.001 0.000 1.062 292 I HN -0.056 nan 8.210 nan 0.000 0.426 293 A N 0.429 123.252 122.820 0.006 0.000 1.855 293 A HA -0.183 4.137 4.320 0.000 0.000 0.215 293 A C 2.376 179.970 177.584 0.016 0.000 1.191 293 A CA 2.337 54.382 52.037 0.013 0.000 0.613 293 A CB -1.101 17.901 19.000 0.004 0.000 0.829 293 A HN 0.365 nan 8.150 nan 0.000 0.442 294 T N 0.733 115.292 114.554 0.009 0.000 2.720 294 T HA -0.134 4.216 4.350 0.000 0.000 0.268 294 T C 1.830 176.538 174.700 0.014 0.000 1.037 294 T CA 1.292 63.398 62.100 0.009 0.000 1.144 294 T CB -0.355 68.515 68.868 0.004 0.000 0.864 294 T HN 0.295 nan 8.240 nan 0.000 0.444 295 L N 2.159 123.392 121.223 0.016 0.000 2.131 295 L HA -0.054 4.286 4.340 0.000 0.000 0.210 295 L C 1.856 178.741 176.870 0.024 0.000 1.092 295 L CA 2.178 57.030 54.840 0.021 0.000 0.759 295 L CB -1.242 40.834 42.059 0.029 0.000 0.903 295 L HN 0.459 nan 8.230 nan 0.000 0.435 296 T N -3.759 110.812 114.554 0.029 0.000 3.248 296 T HA 0.364 4.714 4.350 0.000 0.000 0.271 296 T C 1.037 175.760 174.700 0.037 0.000 1.005 296 T CA 0.128 62.248 62.100 0.033 0.000 0.902 296 T CB -0.334 68.561 68.868 0.045 0.000 1.102 296 T HN 0.521 nan 8.240 nan 0.000 0.548 297 G N 0.202 109.020 108.800 0.030 0.000 2.393 297 G HA2 0.136 4.096 3.960 0.000 0.000 0.299 297 G HA3 0.136 4.096 3.960 0.000 0.000 0.299 297 G C 0.384 175.310 174.900 0.042 0.000 0.990 297 G CA 0.011 45.130 45.100 0.032 0.000 1.118 297 G HN 1.141 nan 8.290 nan 0.000 0.513 298 G N -1.559 107.263 108.800 0.037 0.000 3.135 298 G HA2 0.923 4.883 3.960 0.000 0.000 0.278 298 G HA3 0.923 4.883 3.960 0.000 0.000 0.278 298 G C -0.663 174.251 174.900 0.023 0.000 1.302 298 G CA 0.303 45.426 45.100 0.038 0.000 0.880 298 G HN 0.835 nan 8.290 nan 0.000 0.574 299 T N -0.467 114.098 114.554 0.018 0.000 2.916 299 T HA 0.521 4.871 4.350 0.000 0.000 0.305 299 T C -0.642 174.061 174.700 0.005 0.000 1.119 299 T CA -0.368 61.737 62.100 0.009 0.000 1.008 299 T CB 1.964 70.836 68.868 0.006 0.000 1.129 299 T HN 0.423 nan 8.240 nan 0.000 0.480 300 V N 2.832 122.746 119.914 -0.000 0.000 2.583 300 V HA 0.387 4.507 4.120 0.000 0.000 0.287 300 V C 0.011 176.103 176.094 -0.004 0.000 1.051 300 V CA -0.445 61.852 62.300 -0.004 0.000 1.010 300 V CB 0.688 32.505 31.823 -0.010 0.000 0.988 300 V HN 0.723 nan 8.190 nan 0.000 0.478 301 I N 5.045 125.613 120.570 -0.003 0.000 2.412 301 I HA 0.324 4.494 4.170 0.000 0.000 0.279 301 I C 0.317 176.433 176.117 -0.002 0.000 1.063 301 I CA 0.063 61.362 61.300 -0.002 0.000 1.193 301 I CB 0.891 38.890 38.000 -0.001 0.000 1.370 301 I HN 0.724 nan 8.210 nan 0.000 0.479 302 S N 2.692 118.391 115.700 -0.003 0.000 2.621 302 S HA 0.453 4.923 4.470 0.000 0.000 0.302 302 S C 0.465 175.065 174.600 -0.001 0.000 1.093 302 S CA -0.826 57.372 58.200 -0.002 0.000 1.017 302 S CB 2.146 65.344 63.200 -0.004 0.000 1.077 302 S HN 0.551 nan 8.310 nan 0.000 0.517 303 E N 0.331 120.532 120.200 0.001 0.000 2.442 303 E HA -0.016 4.334 4.350 0.000 0.000 0.195 303 E C 1.077 177.677 176.600 0.001 0.000 1.030 303 E CA 0.314 56.715 56.400 0.002 0.000 0.869 303 E CB -0.023 29.679 29.700 0.004 0.000 0.857 303 E HN 0.746 nan 8.360 nan 0.000 0.505 304 E N 0.459 120.659 120.200 0.000 0.000 2.338 304 E HA -0.092 4.258 4.350 0.000 0.000 0.197 304 E C 1.420 178.020 176.600 -0.001 0.000 1.007 304 E CA 0.689 57.089 56.400 -0.000 0.000 0.849 304 E CB 0.152 29.852 29.700 -0.001 0.000 0.774 304 E HN 0.342 nan 8.360 nan 0.000 0.506 305 I N -0.925 119.644 120.570 -0.001 0.000 4.154 305 I HA 0.191 4.361 4.170 0.000 0.000 0.334 305 I C 0.878 176.994 176.117 -0.001 0.000 1.371 305 I CA 0.029 61.328 61.300 -0.002 0.000 1.110 305 I CB 0.996 38.995 38.000 -0.003 0.000 1.085 305 I HN 0.096 nan 8.210 nan 0.000 0.398 306 G N 2.161 110.960 108.800 -0.001 0.000 2.165 306 G HA2 -0.228 3.732 3.960 0.000 0.000 0.226 306 G HA3 -0.228 3.732 3.960 0.000 0.000 0.226 306 G C -0.014 174.885 174.900 -0.001 0.000 1.035 306 G CA -0.337 44.763 45.100 -0.000 0.000 0.744 306 G HN 0.238 nan 8.290 nan 0.000 0.501 307 M N 0.283 119.883 119.600 -0.001 0.000 2.300 307 M HA 0.520 5.000 4.480 0.000 0.000 0.348 307 M C 0.211 176.510 176.300 -0.001 0.000 1.151 307 M CA -0.220 55.079 55.300 -0.002 0.000 1.046 307 M CB 1.472 34.070 32.600 -0.002 0.000 1.647 307 M HN 0.220 nan 8.290 nan 0.000 0.451 308 E N 2.061 122.259 120.200 -0.002 0.000 2.227 308 E HA 0.326 4.676 4.350 0.000 0.000 0.268 308 E C 0.208 176.806 176.600 -0.003 0.000 0.907 308 E CA -0.555 55.844 56.400 -0.002 0.000 0.786 308 E CB 2.230 31.929 29.700 -0.002 0.000 1.191 308 E HN 0.683 nan 8.360 nan 0.000 0.411 309 L N 1.626 122.847 121.223 -0.002 0.000 2.456 309 L HA -0.143 4.197 4.340 0.000 0.000 0.224 309 L C 1.437 178.302 176.870 -0.008 0.000 1.148 309 L CA 0.900 55.737 54.840 -0.004 0.000 0.825 309 L CB -0.200 41.859 42.059 0.000 0.000 0.937 309 L HN 0.521 nan 8.230 nan 0.000 0.450 310 E N 0.360 120.556 120.200 -0.007 0.000 2.158 310 E HA -0.059 4.291 4.350 0.000 0.000 0.191 310 E C 0.645 177.238 176.600 -0.012 0.000 0.982 310 E CA 0.810 57.205 56.400 -0.009 0.000 0.823 310 E CB 0.125 29.822 29.700 -0.005 0.000 0.766 310 E HN 0.260 nan 8.360 nan 0.000 0.468 311 K N 0.716 121.109 120.400 -0.011 0.000 2.765 311 K HA 0.524 4.844 4.320 0.000 0.000 0.246 311 K C -0.926 175.665 176.600 -0.015 0.000 1.254 311 K CA -0.235 56.045 56.287 -0.012 0.000 1.219 311 K CB 0.963 33.458 32.500 -0.008 0.000 1.747 311 K HN -0.052 nan 8.250 nan 0.000 0.372 312 A N 1.123 123.930 122.820 -0.022 0.000 2.442 312 A HA 0.349 4.669 4.320 0.000 0.000 0.284 312 A C 0.227 177.784 177.584 -0.044 0.000 1.058 312 A CA -0.760 51.260 52.037 -0.028 0.000 0.738 312 A CB 0.726 19.710 19.000 -0.026 0.000 1.242 312 A HN 0.376 nan 8.150 nan 0.000 0.421 313 T N 0.072 114.598 114.554 -0.046 0.000 3.018 313 T HA 0.476 4.826 4.350 0.000 0.000 0.338 313 T C 1.069 175.706 174.700 -0.106 0.000 1.208 313 T CA -0.137 61.924 62.100 -0.066 0.000 0.963 313 T CB 0.034 68.874 68.868 -0.047 0.000 1.697 313 T HN 0.383 nan 8.240 nan 0.000 0.560 314 L N -0.025 121.118 121.223 -0.133 0.000 2.567 314 L HA 0.278 4.618 4.340 0.000 0.000 0.225 314 L C 2.746 179.558 176.870 -0.097 0.000 1.119 314 L CA 0.467 55.169 54.840 -0.230 0.000 0.871 314 L CB -0.344 41.528 42.059 -0.311 0.000 1.036 314 L HN 0.793 nan 8.230 nan 0.000 0.459 315 E N 0.530 120.708 120.200 -0.038 0.000 2.122 315 E HA -0.163 4.187 4.350 0.000 0.000 0.190 315 E C 0.947 177.557 176.600 0.017 0.000 0.977 315 E CA 0.726 57.132 56.400 0.010 0.000 0.820 315 E CB 0.341 30.045 29.700 0.006 0.000 0.770 315 E HN 0.391 nan 8.360 nan 0.000 0.462 316 D N 0.401 120.799 120.400 -0.003 0.000 2.363 316 D HA -0.006 4.634 4.640 0.000 0.000 0.226 316 D C -0.194 176.115 176.300 0.015 0.000 1.020 316 D CA 0.320 54.323 54.000 0.004 0.000 0.892 316 D CB 0.233 41.029 40.800 -0.007 0.000 0.900 316 D HN 0.117 nan 8.370 nan 0.000 0.531 317 L N 0.336 121.574 121.223 0.025 0.000 2.357 317 L HA 0.395 4.735 4.340 0.000 0.000 0.273 317 L C 1.290 178.240 176.870 0.134 0.000 1.080 317 L CA -0.517 54.363 54.840 0.067 0.000 0.803 317 L CB 1.403 43.482 42.059 0.033 0.000 1.174 317 L HN -0.175 nan 8.230 nan 0.000 0.443 318 G N 1.065 109.941 108.800 0.127 0.000 2.572 318 G HA2 0.483 4.443 3.960 0.000 0.000 0.261 318 G HA3 0.483 4.443 3.960 0.000 0.000 0.261 318 G C -0.995 173.994 174.900 0.149 0.000 1.197 318 G CA -0.168 45.000 45.100 0.113 0.000 0.870 318 G HN 0.600 nan 8.290 nan 0.000 0.548 319 Q N -0.953 118.893 119.800 0.076 0.000 2.378 319 Q HA 0.551 4.891 4.340 0.000 0.000 0.262 319 Q C -1.118 174.866 176.000 -0.028 0.000 0.978 319 Q CA -0.718 55.086 55.803 0.002 0.000 0.918 319 Q CB 1.807 30.527 28.738 -0.031 0.000 1.415 319 Q HN 0.972 nan 8.270 nan 0.000 0.409 320 A N 2.595 125.380 122.820 -0.058 0.000 2.524 320 A HA 0.599 4.919 4.320 0.000 0.000 0.286 320 A C -0.799 176.743 177.584 -0.070 0.000 1.203 320 A CA -0.645 51.365 52.037 -0.046 0.000 0.736 320 A CB 1.591 20.578 19.000 -0.021 0.000 1.322 320 A HN 0.757 nan 8.150 nan 0.000 0.424 321 K N -0.518 119.851 120.400 -0.051 0.000 2.387 321 K HA 0.306 4.626 4.320 0.000 0.000 0.198 321 K C -0.015 176.558 176.600 -0.044 0.000 1.022 321 K CA 0.347 56.601 56.287 -0.054 0.000 1.128 321 K CB 0.341 32.817 32.500 -0.041 0.000 0.853 321 K HN 0.515 nan 8.250 nan 0.000 0.523 322 R N -0.036 120.441 120.500 -0.040 0.000 4.584 322 R HA 0.036 4.376 4.340 0.000 0.000 0.251 322 R C -2.186 174.096 176.300 -0.030 0.000 0.957 322 R CA -0.479 55.602 56.100 -0.032 0.000 1.195 322 R CB 0.740 31.024 30.300 -0.026 0.000 1.233 322 R HN -0.014 nan 8.270 nan 0.000 0.630 323 V N 0.222 120.120 119.914 -0.028 0.000 2.932 323 V HA 0.886 5.006 4.120 0.000 0.000 0.307 323 V C -1.247 174.827 176.094 -0.033 0.000 1.147 323 V CA -0.717 61.561 62.300 -0.036 0.000 0.951 323 V CB 2.201 34.005 31.823 -0.032 0.000 1.031 323 V HN 0.427 nan 8.190 nan 0.000 0.426 324 V N 4.554 124.437 119.914 -0.052 0.000 2.914 324 V HA 0.703 4.823 4.120 0.000 0.000 0.314 324 V C -0.368 175.688 176.094 -0.064 0.000 1.084 324 V CA -0.499 61.778 62.300 -0.038 0.000 0.963 324 V CB 1.982 33.784 31.823 -0.034 0.000 1.025 324 V HN 1.087 nan 8.190 nan 0.000 0.432 325 I N 0.145 120.701 120.570 -0.023 0.000 2.576 325 I HA 0.508 4.678 4.170 0.000 0.000 0.279 325 I C -0.127 175.984 176.117 -0.009 0.000 1.114 325 I CA -0.579 60.696 61.300 -0.040 0.000 1.076 325 I CB 1.186 39.180 38.000 -0.010 0.000 1.212 325 I HN 0.434 nan 8.210 nan 0.000 0.472 326 N N 4.606 123.253 118.700 -0.090 0.000 2.255 326 N HA 0.013 4.753 4.740 0.000 0.000 0.260 326 N C 1.037 176.280 175.510 -0.445 0.000 1.288 326 N CA -0.069 52.906 53.050 -0.125 0.000 0.894 326 N CB 0.740 39.167 38.487 -0.101 0.000 1.033 326 N HN 0.679 nan 8.380 nan 0.000 0.477 327 K N 0.361 120.487 120.400 -0.457 0.000 2.148 327 K HA -0.153 4.167 4.320 0.000 0.000 0.204 327 K C -0.327 175.902 176.600 -0.620 0.000 1.050 327 K CA 1.777 57.594 56.287 -0.783 0.000 0.942 327 K CB 0.007 32.356 32.500 -0.251 0.000 0.724 327 K HN 0.607 nan 8.250 nan 0.000 0.446 328 D N -1.088 119.115 120.400 -0.327 0.000 2.822 328 D HA 0.103 4.743 4.640 0.000 0.000 0.327 328 D C -1.140 175.084 176.300 -0.127 0.000 1.577 328 D CA -0.483 53.403 54.000 -0.189 0.000 0.785 328 D CB 0.866 41.603 40.800 -0.106 0.000 1.199 328 D HN -0.159 nan 8.370 nan 0.000 0.443 329 T N -0.125 114.331 114.554 -0.163 0.000 3.293 329 T HA 0.464 4.814 4.350 0.000 0.000 0.320 329 T C -0.437 174.136 174.700 -0.212 0.000 0.995 329 T CA -0.457 61.554 62.100 -0.148 0.000 1.041 329 T CB 1.937 70.738 68.868 -0.111 0.000 1.058 329 T HN -0.051 nan 8.240 nan 0.000 0.453 330 T N 1.746 116.089 114.554 -0.353 0.000 2.884 330 T HA 0.821 5.171 4.350 0.000 0.000 0.277 330 T C -0.067 174.316 174.700 -0.528 0.000 0.976 330 T CA -0.580 61.220 62.100 -0.499 0.000 0.956 330 T CB 1.500 69.849 68.868 -0.865 0.000 1.113 330 T HN 0.714 nan 8.240 nan 0.000 0.554 331 T N 0.899 115.184 114.554 -0.447 0.000 4.349 331 T HA 0.317 4.667 4.350 0.000 0.000 0.404 331 T C -1.579 173.017 174.700 -0.173 0.000 0.993 331 T CA -0.594 61.331 62.100 -0.292 0.000 1.025 331 T CB -0.177 68.581 68.868 -0.183 0.000 1.219 331 T HN 0.456 nan 8.240 nan 0.000 0.451 332 I N 5.790 126.289 120.570 -0.118 0.000 2.353 332 I HA 0.514 4.684 4.170 0.000 0.000 0.293 332 I C 0.004 176.103 176.117 -0.029 0.000 0.992 332 I CA -0.943 60.332 61.300 -0.042 0.000 1.268 332 I CB 1.420 39.433 38.000 0.022 0.000 1.387 332 I HN 0.565 nan 8.210 nan 0.000 0.478 333 I N 5.441 125.995 120.570 -0.027 0.000 2.389 333 I HA 0.215 4.385 4.170 0.000 0.000 0.288 333 I C -0.658 175.448 176.117 -0.018 0.000 0.999 333 I CA -0.525 60.761 61.300 -0.023 0.000 1.129 333 I CB 1.414 39.398 38.000 -0.028 0.000 1.288 333 I HN 0.610 nan 8.210 nan 0.000 0.444 334 D N 4.660 125.052 120.400 -0.013 0.000 4.867 334 D HA -0.117 4.523 4.640 0.000 0.000 0.238 334 D C -0.216 176.077 176.300 -0.011 0.000 1.114 334 D CA 1.196 55.188 54.000 -0.012 0.000 1.283 334 D CB 0.183 40.974 40.800 -0.016 0.000 0.739 334 D HN 0.813 nan 8.370 nan 0.000 0.371 335 G N 1.637 110.434 108.800 -0.004 0.000 2.454 335 G HA2 0.505 4.465 3.960 0.000 0.000 0.329 335 G HA3 0.505 4.465 3.960 0.000 0.000 0.329 335 G C 1.173 176.073 174.900 -0.001 0.000 1.177 335 G CA -0.417 44.682 45.100 -0.000 0.000 0.951 335 G HN 0.456 nan 8.290 nan 0.000 0.485 336 V N 1.199 121.113 119.914 0.000 0.000 2.720 336 V HA -0.007 4.113 4.120 0.000 0.000 0.256 336 V C 2.171 178.270 176.094 0.009 0.000 1.082 336 V CA 1.114 63.416 62.300 0.003 0.000 1.101 336 V CB -1.267 30.561 31.823 0.009 0.000 0.693 336 V HN 0.846 nan 8.190 nan 0.000 0.479 337 G N 1.215 110.022 108.800 0.012 0.000 2.187 337 G HA2 -0.028 3.932 3.960 0.000 0.000 0.239 337 G HA3 -0.028 3.932 3.960 0.000 0.000 0.239 337 G C -0.068 174.836 174.900 0.008 0.000 1.200 337 G CA -0.092 45.015 45.100 0.012 0.000 0.888 337 G HN 0.582 nan 8.290 nan 0.000 0.482 338 E N 1.852 122.056 120.200 0.008 0.000 2.354 338 E HA 0.065 4.415 4.350 0.000 0.000 0.269 338 E C 0.668 177.270 176.600 0.004 0.000 1.036 338 E CA -0.224 56.179 56.400 0.005 0.000 0.876 338 E CB 1.335 31.039 29.700 0.006 0.000 1.009 338 E HN 0.654 nan 8.360 nan 0.000 0.416 339 E N 1.382 121.583 120.200 0.003 0.000 2.527 339 E HA -0.163 4.187 4.350 0.000 0.000 0.204 339 E C 0.966 177.567 176.600 0.001 0.000 1.132 339 E CA 0.215 56.615 56.400 0.002 0.000 0.905 339 E CB -0.003 29.697 29.700 0.001 0.000 0.875 339 E HN 0.501 nan 8.360 nan 0.000 0.548 340 A N 1.205 124.026 122.820 0.002 0.000 1.884 340 A HA 0.229 4.549 4.320 0.000 0.000 0.212 340 A C 2.295 179.879 177.584 0.001 0.000 1.265 340 A CA 0.745 52.783 52.037 0.002 0.000 0.626 340 A CB -0.427 18.574 19.000 0.002 0.000 0.943 340 A HN 0.280 nan 8.150 nan 0.000 0.466 341 A N -0.490 122.331 122.820 0.002 0.000 2.121 341 A HA 0.102 4.422 4.320 0.000 0.000 0.218 341 A C 1.954 179.539 177.584 0.001 0.000 1.154 341 A CA 1.185 53.223 52.037 0.002 0.000 0.679 341 A CB -0.562 18.440 19.000 0.003 0.000 0.795 341 A HN 0.495 nan 8.150 nan 0.000 0.458 342 I N -1.657 118.914 120.570 0.002 0.000 2.429 342 I HA -0.133 4.037 4.170 0.000 0.000 0.247 342 I C 2.538 178.655 176.117 -0.000 0.000 1.099 342 I CA 1.156 62.457 61.300 0.001 0.000 1.422 342 I CB -0.154 37.848 38.000 0.003 0.000 1.112 342 I HN 0.294 nan 8.210 nan 0.000 0.430 343 Q N 1.252 121.051 119.800 -0.001 0.000 2.364 343 Q HA -0.068 4.272 4.340 0.000 0.000 0.207 343 Q C 1.860 177.859 176.000 -0.003 0.000 0.970 343 Q CA 1.551 57.353 55.803 -0.002 0.000 0.888 343 Q CB -0.288 28.449 28.738 -0.001 0.000 0.951 343 Q HN 0.471 nan 8.270 nan 0.000 0.469 344 G N -0.578 108.221 108.800 -0.002 0.000 2.459 344 G HA2 -0.178 3.782 3.960 0.000 0.000 0.213 344 G HA3 -0.178 3.782 3.960 0.000 0.000 0.213 344 G C 1.519 176.416 174.900 -0.005 0.000 1.155 344 G CA 0.390 45.489 45.100 -0.003 0.000 0.811 344 G HN 0.279 nan 8.290 nan 0.000 0.534 345 R N 0.525 121.022 120.500 -0.004 0.000 2.115 345 R HA 0.036 4.376 4.340 0.000 0.000 0.230 345 R C 2.362 178.657 176.300 -0.008 0.000 1.111 345 R CA 1.219 57.315 56.100 -0.007 0.000 0.976 345 R CB -0.701 29.596 30.300 -0.006 0.000 0.870 345 R HN 0.206 nan 8.270 nan 0.000 0.445 346 V N 0.568 120.477 119.914 -0.007 0.000 2.358 346 V HA -0.136 3.984 4.120 0.000 0.000 0.246 346 V C 2.323 178.411 176.094 -0.009 0.000 1.047 346 V CA 1.773 64.068 62.300 -0.008 0.000 1.035 346 V CB -0.851 30.968 31.823 -0.006 0.000 0.658 346 V HN 0.509 nan 8.190 nan 0.000 0.452 347 A N -0.710 122.105 122.820 -0.007 0.000 1.933 347 A HA -0.268 4.052 4.320 0.000 0.000 0.218 347 A C 2.190 179.769 177.584 -0.009 0.000 1.175 347 A CA 1.802 53.835 52.037 -0.007 0.000 0.628 347 A CB -0.424 18.572 19.000 -0.006 0.000 0.814 347 A HN 0.622 nan 8.150 nan 0.000 0.444 348 Q N -0.637 119.158 119.800 -0.009 0.000 2.119 348 Q HA -0.045 4.295 4.340 0.000 0.000 0.201 348 Q C 1.916 177.908 176.000 -0.013 0.000 0.972 348 Q CA 1.449 57.245 55.803 -0.011 0.000 0.847 348 Q CB -0.238 28.494 28.738 -0.011 0.000 0.903 348 Q HN 0.754 nan 8.270 nan 0.000 0.433 349 I N -0.154 120.407 120.570 -0.015 0.000 2.617 349 I HA -0.152 4.018 4.170 0.000 0.000 0.256 349 I C 2.366 178.472 176.117 -0.018 0.000 1.167 349 I CA 0.498 61.787 61.300 -0.019 0.000 1.469 349 I CB -0.102 37.885 38.000 -0.021 0.000 1.098 349 I HN 0.070 nan 8.210 nan 0.000 0.436 350 R N 0.893 121.384 120.500 -0.014 0.000 2.152 350 R HA -0.148 4.192 4.340 0.000 0.000 0.232 350 R C 2.197 178.489 176.300 -0.012 0.000 1.117 350 R CA 1.305 57.398 56.100 -0.013 0.000 0.981 350 R CB 0.026 30.320 30.300 -0.010 0.000 0.870 350 R HN 0.403 nan 8.270 nan 0.000 0.451 351 Q N -0.872 118.921 119.800 -0.012 0.000 2.250 351 Q HA -0.048 4.292 4.340 0.000 0.000 0.200 351 Q C 1.738 177.731 176.000 -0.012 0.000 0.941 351 Q CA 0.489 56.286 55.803 -0.011 0.000 0.872 351 Q CB 0.406 29.139 28.738 -0.009 0.000 0.965 351 Q HN 0.371 nan 8.270 nan 0.000 0.480 352 Q N 0.395 120.186 119.800 -0.015 0.000 2.248 352 Q HA -0.166 4.174 4.340 0.000 0.000 0.208 352 Q C 1.908 177.898 176.000 -0.018 0.000 0.984 352 Q CA 1.113 56.905 55.803 -0.018 0.000 0.875 352 Q CB -0.145 28.579 28.738 -0.023 0.000 0.910 352 Q HN 0.506 nan 8.270 nan 0.000 0.433 353 I N 0.712 121.271 120.570 -0.018 0.000 2.617 353 I HA -0.173 3.997 4.170 0.000 0.000 0.256 353 I C 1.991 178.101 176.117 -0.011 0.000 1.167 353 I CA 0.612 61.902 61.300 -0.017 0.000 1.469 353 I CB -0.183 37.807 38.000 -0.018 0.000 1.098 353 I HN 0.071 nan 8.210 nan 0.000 0.436 354 E N 1.470 121.665 120.200 -0.010 0.000 2.072 354 E HA -0.153 4.197 4.350 0.000 0.000 0.190 354 E C 1.165 177.762 176.600 -0.005 0.000 0.982 354 E CA 1.010 57.406 56.400 -0.007 0.000 0.803 354 E CB -0.286 29.410 29.700 -0.006 0.000 0.755 354 E HN 0.580 nan 8.360 nan 0.000 0.453 355 E N 1.139 121.336 120.200 -0.006 0.000 2.301 355 E HA 0.252 4.602 4.350 0.000 0.000 0.195 355 E C -0.237 176.361 176.600 -0.003 0.000 1.171 355 E CA -0.307 56.091 56.400 -0.004 0.000 1.142 355 E CB 0.237 29.934 29.700 -0.005 0.000 1.218 355 E HN 0.076 nan 8.360 nan 0.000 0.448 356 A N 1.245 124.063 122.820 -0.003 0.000 2.409 356 A HA 0.148 4.468 4.320 0.000 0.000 0.267 356 A C 1.257 178.844 177.584 0.005 0.000 1.127 356 A CA -0.199 51.838 52.037 -0.001 0.000 0.795 356 A CB 0.147 19.145 19.000 -0.003 0.000 1.061 356 A HN 0.280 nan 8.150 nan 0.000 0.502 357 T N -0.894 113.665 114.554 0.010 0.000 3.001 357 T HA 0.361 4.711 4.350 0.000 0.000 0.251 357 T C 0.652 175.364 174.700 0.021 0.000 1.040 357 T CA 0.592 62.699 62.100 0.013 0.000 0.985 357 T CB -0.048 68.827 68.868 0.012 0.000 1.011 357 T HN 0.779 nan 8.240 nan 0.000 0.509 358 S N -0.771 114.946 115.700 0.030 0.000 2.618 358 S HA 0.416 4.886 4.470 0.000 0.000 0.277 358 S C -0.395 174.237 174.600 0.053 0.000 1.138 358 S CA -0.581 57.647 58.200 0.046 0.000 0.844 358 S CB 1.698 64.939 63.200 0.067 0.000 1.127 358 S HN 0.061 nan 8.310 nan 0.000 0.474 359 D N 0.596 121.036 120.400 0.068 0.000 2.183 359 D HA -0.024 4.616 4.640 0.000 0.000 0.203 359 D C 1.205 177.563 176.300 0.097 0.000 0.969 359 D CA 1.114 55.153 54.000 0.066 0.000 0.842 359 D CB -0.126 40.713 40.800 0.065 0.000 0.957 359 D HN 0.579 nan 8.370 nan 0.000 0.484 360 Y N 2.169 122.466 120.300 -0.004 0.000 2.092 360 Y HA -0.194 4.356 4.550 0.000 0.000 0.282 360 Y C 1.681 177.573 175.900 -0.013 0.000 1.126 360 Y CA 1.758 59.854 58.100 -0.006 0.000 1.111 360 Y CB -0.470 37.987 38.460 -0.006 0.000 0.987 360 Y HN -0.166 nan 8.280 nan 0.000 0.489 361 D N -0.433 120.017 120.400 0.083 0.000 2.220 361 D HA -0.242 4.398 4.640 0.000 0.000 0.198 361 D C 2.230 178.484 176.300 -0.076 0.000 1.001 361 D CA 1.727 55.715 54.000 -0.019 0.000 0.875 361 D CB -0.204 40.613 40.800 0.029 0.000 0.921 361 D HN 0.292 nan 8.370 nan 0.000 0.454 362 R N 0.388 120.858 120.500 -0.049 0.000 2.064 362 R HA -0.121 4.219 4.340 0.000 0.000 0.228 362 R C 1.967 178.215 176.300 -0.087 0.000 1.144 362 R CA 1.105 57.175 56.100 -0.050 0.000 0.932 362 R CB 0.072 30.360 30.300 -0.020 0.000 0.833 362 R HN 0.062 nan 8.270 nan 0.000 0.429 363 E N 1.167 121.303 120.200 -0.106 0.000 2.045 363 E HA -0.250 4.100 4.350 0.000 0.000 0.212 363 E C 1.665 178.167 176.600 -0.163 0.000 1.039 363 E CA 1.410 57.735 56.400 -0.126 0.000 0.860 363 E CB -0.335 29.276 29.700 -0.149 0.000 0.776 363 E HN 0.212 nan 8.360 nan 0.000 0.467 364 K N 0.609 120.844 120.400 -0.275 0.000 2.589 364 K HA -0.063 4.257 4.320 0.000 0.000 0.195 364 K C 2.033 178.543 176.600 -0.150 0.000 1.040 364 K CA 0.481 56.622 56.287 -0.244 0.000 0.950 364 K CB -0.259 32.022 32.500 -0.364 0.000 0.781 364 K HN 0.268 nan 8.250 nan 0.000 0.486 365 L N -0.654 120.498 121.223 -0.118 0.000 2.500 365 L HA 0.024 4.364 4.340 0.000 0.000 0.219 365 L C 2.049 178.884 176.870 -0.057 0.000 1.057 365 L CA 0.248 55.041 54.840 -0.078 0.000 0.854 365 L CB -0.071 41.949 42.059 -0.065 0.000 1.078 365 L HN 0.097 nan 8.230 nan 0.000 0.480 366 Q N 0.104 119.870 119.800 -0.057 0.000 2.297 366 Q HA -0.145 4.195 4.340 0.000 0.000 0.204 366 Q C 1.674 177.652 176.000 -0.036 0.000 0.962 366 Q CA 0.984 56.764 55.803 -0.040 0.000 0.879 366 Q CB 0.215 28.931 28.738 -0.035 0.000 0.947 366 Q HN 0.501 nan 8.270 nan 0.000 0.462 367 E N 0.520 120.691 120.200 -0.047 0.000 2.051 367 E HA -0.072 4.278 4.350 0.000 0.000 0.189 367 E C 2.018 178.602 176.600 -0.027 0.000 0.979 367 E CA 0.286 56.664 56.400 -0.036 0.000 0.803 367 E CB 0.107 29.779 29.700 -0.047 0.000 0.761 367 E HN 0.179 nan 8.360 nan 0.000 0.451 368 R N 0.724 121.201 120.500 -0.039 0.000 2.105 368 R HA -0.149 4.191 4.340 0.000 0.000 0.239 368 R C 2.568 178.857 176.300 -0.019 0.000 1.135 368 R CA 1.626 57.708 56.100 -0.030 0.000 0.967 368 R CB -0.378 29.895 30.300 -0.043 0.000 0.861 368 R HN 0.205 nan 8.270 nan 0.000 0.442 369 V N -2.432 117.469 119.914 -0.021 0.000 2.283 369 V HA -0.032 4.088 4.120 0.000 0.000 0.243 369 V C 2.352 178.440 176.094 -0.009 0.000 1.039 369 V CA 1.463 63.754 62.300 -0.015 0.000 1.016 369 V CB -1.256 30.557 31.823 -0.017 0.000 0.650 369 V HN 0.213 nan 8.190 nan 0.000 0.449 370 A N 1.046 123.860 122.820 -0.010 0.000 1.859 370 A HA -0.324 3.996 4.320 0.000 0.000 0.218 370 A C 2.320 179.904 177.584 -0.001 0.000 1.209 370 A CA 2.938 54.971 52.037 -0.006 0.000 0.639 370 A CB -0.940 18.055 19.000 -0.008 0.000 0.835 370 A HN 0.627 nan 8.150 nan 0.000 0.450 371 K N -1.379 119.024 120.400 0.005 0.000 2.218 371 K HA -0.126 4.194 4.320 0.000 0.000 0.205 371 K C 1.715 178.325 176.600 0.017 0.000 1.046 371 K CA 1.430 57.727 56.287 0.016 0.000 0.933 371 K CB -0.243 32.277 32.500 0.034 0.000 0.728 371 K HN 0.406 nan 8.250 nan 0.000 0.454 372 L N -0.803 120.427 121.223 0.011 0.000 2.477 372 L HA 0.120 4.460 4.340 0.000 0.000 0.220 372 L C 1.695 178.568 176.870 0.004 0.000 1.106 372 L CA 0.757 55.603 54.840 0.010 0.000 0.851 372 L CB 0.266 42.328 42.059 0.005 0.000 0.994 372 L HN 0.026 nan 8.230 nan 0.000 0.462 373 A N -1.314 121.506 122.820 0.001 0.000 1.993 373 A HA 0.346 4.666 4.320 0.000 0.000 0.207 373 A C 1.818 179.401 177.584 -0.002 0.000 1.224 373 A CA 0.518 52.554 52.037 -0.002 0.000 0.749 373 A CB -0.670 18.328 19.000 -0.004 0.000 0.884 373 A HN 0.317 nan 8.150 nan 0.000 0.467 374 G N 0.250 109.048 108.800 -0.003 0.000 3.474 374 G HA2 0.418 4.378 3.960 0.000 0.000 0.269 374 G HA3 0.418 4.378 3.960 0.000 0.000 0.269 374 G C 1.048 175.945 174.900 -0.005 0.000 1.339 374 G CA 0.620 45.717 45.100 -0.005 0.000 1.258 374 G HN 0.793 nan 8.290 nan 0.000 0.560 375 G N 0.189 108.988 108.800 -0.003 0.000 2.998 375 G HA2 -0.226 3.734 3.960 0.000 0.000 0.855 375 G HA3 -0.226 3.734 3.960 0.000 0.000 0.855 375 G C 0.140 175.035 174.900 -0.008 0.000 1.032 375 G CA 1.080 46.178 45.100 -0.003 0.000 0.804 375 G HN 0.961 nan 8.290 nan 0.000 0.970 376 V N -0.618 119.289 119.914 -0.011 0.000 2.971 376 V HA 0.706 4.826 4.120 0.000 0.000 0.309 376 V C 0.375 176.459 176.094 -0.018 0.000 1.130 376 V CA -0.384 61.905 62.300 -0.018 0.000 0.964 376 V CB 1.676 33.486 31.823 -0.022 0.000 1.029 376 V HN 1.433 nan 8.190 nan 0.000 0.427 377 A N 2.638 125.445 122.820 -0.021 0.000 2.309 377 A HA 0.812 5.132 4.320 0.000 0.000 0.298 377 A C -0.711 176.861 177.584 -0.020 0.000 1.165 377 A CA -0.454 51.572 52.037 -0.019 0.000 0.821 377 A CB 1.129 20.116 19.000 -0.021 0.000 1.102 377 A HN 0.797 nan 8.150 nan 0.000 0.500 378 V N 4.461 124.366 119.914 -0.016 0.000 2.443 378 V HA 0.317 4.437 4.120 0.000 0.000 0.293 378 V C -0.561 175.525 176.094 -0.012 0.000 1.021 378 V CA -0.119 62.172 62.300 -0.015 0.000 0.848 378 V CB 1.305 33.119 31.823 -0.014 0.000 0.998 378 V HN 0.752 nan 8.190 nan 0.000 0.424 379 I N 5.548 126.111 120.570 -0.011 0.000 2.328 379 I HA 0.408 4.578 4.170 0.000 0.000 0.287 379 I C 0.118 176.231 176.117 -0.006 0.000 1.012 379 I CA -0.534 60.761 61.300 -0.008 0.000 1.195 379 I CB 1.184 39.180 38.000 -0.008 0.000 1.350 379 I HN 0.442 nan 8.210 nan 0.000 0.464 380 K N 6.169 126.566 120.400 -0.005 0.000 2.266 380 K HA 0.367 4.687 4.320 0.000 0.000 0.274 380 K C -0.292 176.307 176.600 -0.001 0.000 1.090 380 K CA -0.569 55.716 56.287 -0.003 0.000 0.925 380 K CB 1.247 33.745 32.500 -0.004 0.000 1.225 380 K HN 0.344 nan 8.250 nan 0.000 0.458 381 V N 2.442 122.357 119.914 0.000 0.000 3.083 381 V HA -0.133 3.987 4.120 0.000 0.000 0.303 381 V C 1.667 177.762 176.094 0.001 0.000 1.151 381 V CA 0.498 62.799 62.300 0.002 0.000 1.275 381 V CB 0.134 31.959 31.823 0.004 0.000 0.950 381 V HN 0.951 nan 8.190 nan 0.000 0.506 382 G N 1.326 110.127 108.800 0.002 0.000 2.393 382 G HA2 0.505 4.465 3.960 0.000 0.000 0.268 382 G HA3 0.505 4.465 3.960 0.000 0.000 0.268 382 G C 0.125 175.026 174.900 0.002 0.000 1.472 382 G CA 0.483 45.584 45.100 0.001 0.000 1.059 382 G HN 1.383 nan 8.290 nan 0.000 0.555 383 A N -3.550 119.271 122.820 0.002 0.000 5.519 383 A HA 0.840 5.160 4.320 0.000 0.000 0.158 383 A C 0.057 177.642 177.584 0.002 0.000 0.860 383 A CA 0.756 52.794 52.037 0.002 0.000 1.134 383 A CB -0.296 18.704 19.000 0.001 0.000 2.248 383 A HN 2.576 nan 8.150 nan 0.000 1.056 384 A N -0.608 122.213 122.820 0.002 0.000 3.033 384 A HA 0.577 4.897 4.320 0.000 0.000 0.262 384 A C 1.015 178.600 177.584 0.002 0.000 1.301 384 A CA 1.154 53.191 52.037 0.002 0.000 0.727 384 A CB -2.611 16.390 19.000 0.001 0.000 1.094 384 A HN 3.570 nan 8.150 nan 0.000 0.374 385 T N -2.151 112.404 114.554 0.002 0.000 0.541 385 T HA -0.089 4.261 4.350 0.000 0.000 0.774 385 T C 0.384 175.085 174.700 0.003 0.000 0.992 385 T CA 1.508 63.609 62.100 0.002 0.000 4.077 385 T CB -1.038 67.831 68.868 0.002 0.000 2.303 385 T HN 1.897 nan 8.240 nan 0.000 0.398 386 E N 0.977 121.179 120.200 0.003 0.000 2.085 386 E HA -0.126 4.224 4.350 0.000 0.000 0.194 386 E C 2.190 178.792 176.600 0.004 0.000 0.994 386 E CA 2.064 58.466 56.400 0.004 0.000 0.801 386 E CB -0.180 29.522 29.700 0.004 0.000 0.743 386 E HN 0.646 nan 8.360 nan 0.000 0.453 387 V N 1.380 121.296 119.914 0.004 0.000 2.332 387 V HA -0.276 3.844 4.120 0.000 0.000 0.248 387 V C 2.076 178.173 176.094 0.005 0.000 1.055 387 V CA 2.267 64.570 62.300 0.005 0.000 1.038 387 V CB -0.535 31.291 31.823 0.004 0.000 0.651 387 V HN 0.311 nan 8.190 nan 0.000 0.450 388 E N -0.788 119.414 120.200 0.004 0.000 2.158 388 E HA -0.144 4.206 4.350 0.000 0.000 0.191 388 E C 2.194 178.797 176.600 0.004 0.000 0.982 388 E CA 0.903 57.305 56.400 0.004 0.000 0.823 388 E CB -0.200 29.502 29.700 0.003 0.000 0.766 388 E HN 0.420 nan 8.360 nan 0.000 0.468 389 M N 1.235 120.838 119.600 0.004 0.000 2.086 389 M HA -0.142 4.338 4.480 0.000 0.000 0.261 389 M C 1.557 177.861 176.300 0.006 0.000 1.067 389 M CA 1.506 56.809 55.300 0.005 0.000 1.116 389 M CB -0.136 32.467 32.600 0.004 0.000 1.348 389 M HN -0.147 nan 8.290 nan 0.000 0.407 390 K N 0.107 120.511 120.400 0.006 0.000 2.439 390 K HA -0.104 4.216 4.320 0.000 0.000 0.197 390 K C 1.724 178.329 176.600 0.008 0.000 1.041 390 K CA 0.725 57.017 56.287 0.008 0.000 0.970 390 K CB -0.178 32.327 32.500 0.008 0.000 0.773 390 K HN 0.592 nan 8.250 nan 0.000 0.479 391 E N 0.979 121.184 120.200 0.007 0.000 2.127 391 E HA -0.072 4.278 4.350 0.000 0.000 0.191 391 E C 1.874 178.478 176.600 0.008 0.000 0.964 391 E CA 0.454 56.858 56.400 0.007 0.000 0.832 391 E CB 0.289 29.992 29.700 0.006 0.000 0.790 391 E HN 0.077 nan 8.360 nan 0.000 0.465 392 K N 1.167 121.572 120.400 0.007 0.000 2.062 392 K HA -0.154 4.166 4.320 0.000 0.000 0.205 392 K C 2.241 178.847 176.600 0.010 0.000 1.051 392 K CA 1.175 57.467 56.287 0.008 0.000 0.941 392 K CB 0.010 32.514 32.500 0.006 0.000 0.719 392 K HN -0.088 nan 8.250 nan 0.000 0.440 393 K N 0.362 120.768 120.400 0.010 0.000 2.059 393 K HA -0.228 4.092 4.320 0.000 0.000 0.212 393 K C 1.899 178.509 176.600 0.017 0.000 1.050 393 K CA 1.629 57.924 56.287 0.012 0.000 0.927 393 K CB -0.220 32.287 32.500 0.011 0.000 0.714 393 K HN 0.215 nan 8.250 nan 0.000 0.447 394 A N 1.423 124.252 122.820 0.016 0.000 1.845 394 A HA -0.157 4.163 4.320 0.000 0.000 0.215 394 A C 2.057 179.654 177.584 0.021 0.000 1.195 394 A CA 1.634 53.681 52.037 0.018 0.000 0.616 394 A CB -0.574 18.434 19.000 0.013 0.000 0.832 394 A HN 0.379 nan 8.150 nan 0.000 0.443 395 R N -0.625 119.885 120.500 0.016 0.000 2.211 395 R HA -0.096 4.244 4.340 0.000 0.000 0.240 395 R C 1.904 178.217 176.300 0.023 0.000 1.144 395 R CA 1.269 57.379 56.100 0.017 0.000 0.992 395 R CB -0.549 29.759 30.300 0.012 0.000 0.869 395 R HN 0.425 nan 8.270 nan 0.000 0.462 396 V N 0.997 120.924 119.914 0.023 0.000 2.283 396 V HA -0.198 3.922 4.120 0.000 0.000 0.243 396 V C 1.980 178.098 176.094 0.040 0.000 1.039 396 V CA 1.692 64.007 62.300 0.024 0.000 1.016 396 V CB -0.334 31.500 31.823 0.017 0.000 0.650 396 V HN 0.310 nan 8.190 nan 0.000 0.449 397 E N 0.497 120.728 120.200 0.052 0.000 2.049 397 E HA -0.271 4.079 4.350 0.000 0.000 0.198 397 E C 2.305 178.993 176.600 0.146 0.000 1.007 397 E CA 1.579 58.037 56.400 0.097 0.000 0.809 397 E CB -0.436 29.323 29.700 0.098 0.000 0.749 397 E HN 0.579 nan 8.360 nan 0.000 0.450 398 A N 1.413 124.286 122.820 0.087 0.000 1.908 398 A HA -0.203 4.117 4.320 0.000 0.000 0.218 398 A C 2.366 180.003 177.584 0.089 0.000 1.181 398 A CA 2.028 54.106 52.037 0.068 0.000 0.627 398 A CB -0.817 18.196 19.000 0.023 0.000 0.818 398 A HN 0.319 nan 8.150 nan 0.000 0.445 399 A N -0.286 122.572 122.820 0.063 0.000 1.832 399 A HA 0.004 4.324 4.320 0.000 0.000 0.214 399 A C 2.133 179.751 177.584 0.057 0.000 1.200 399 A CA 1.776 53.843 52.037 0.050 0.000 0.610 399 A CB -0.953 18.066 19.000 0.030 0.000 0.842 399 A HN 0.981 nan 8.150 nan 0.000 0.444 400 L N -0.301 120.949 121.223 0.045 0.000 2.010 400 L HA -0.299 4.041 4.340 0.000 0.000 0.219 400 L C 2.271 179.149 176.870 0.013 0.000 1.077 400 L CA 2.851 57.698 54.840 0.012 0.000 0.773 400 L CB -1.235 40.816 42.059 -0.014 0.000 0.892 400 L HN 0.579 nan 8.230 nan 0.000 0.436 401 H N -0.158 118.911 119.070 -0.001 0.000 2.287 401 H HA -0.213 4.343 4.556 0.000 0.000 0.292 401 H C 2.075 177.404 175.328 0.003 0.000 1.068 401 H CA 2.289 58.337 56.048 0.000 0.000 1.192 401 H CB -0.626 29.137 29.762 0.001 0.000 1.360 401 H HN 0.538 nan 8.280 nan 0.000 0.516 402 A N 0.015 122.938 122.820 0.172 0.000 1.997 402 A HA -0.221 4.099 4.320 0.000 0.000 0.221 402 A C 2.680 180.298 177.584 0.056 0.000 1.172 402 A CA 2.325 54.417 52.037 0.092 0.000 0.645 402 A CB -1.005 18.032 19.000 0.062 0.000 0.813 402 A HN 0.522 nan 8.150 nan 0.000 0.454 403 T N -0.861 113.719 114.554 0.044 0.000 2.643 403 T HA -0.148 4.202 4.350 0.000 0.000 0.264 403 T C 2.169 176.876 174.700 0.013 0.000 1.045 403 T CA 1.343 63.456 62.100 0.021 0.000 1.155 403 T CB -0.272 68.603 68.868 0.011 0.000 0.863 403 T HN 0.362 nan 8.240 nan 0.000 0.420 404 R N 1.273 121.772 120.500 -0.001 0.000 2.134 404 R HA -0.110 4.230 4.340 0.000 0.000 0.248 404 R C 2.412 178.715 176.300 0.005 0.000 1.143 404 R CA 1.965 58.056 56.100 -0.014 0.000 0.957 404 R CB -1.213 29.057 30.300 -0.049 0.000 0.867 404 R HN 0.454 nan 8.270 nan 0.000 0.441 405 A N -0.511 122.325 122.820 0.026 0.000 2.216 405 A HA 0.076 4.396 4.320 0.000 0.000 0.214 405 A C 2.062 179.660 177.584 0.024 0.000 1.160 405 A CA 1.485 53.542 52.037 0.032 0.000 0.725 405 A CB -0.246 18.787 19.000 0.055 0.000 0.784 405 A HN 0.423 nan 8.150 nan 0.000 0.472 406 A N -0.915 121.917 122.820 0.020 0.000 1.924 406 A HA 0.229 4.549 4.320 0.000 0.000 0.211 406 A C 2.023 179.613 177.584 0.011 0.000 1.198 406 A CA 1.010 53.056 52.037 0.016 0.000 0.657 406 A CB -0.571 18.439 19.000 0.016 0.000 0.852 406 A HN 0.276 nan 8.150 nan 0.000 0.454 407 V N 0.673 120.592 119.914 0.007 0.000 2.324 407 V HA -0.316 3.804 4.120 0.000 0.000 0.250 407 V C 2.395 178.492 176.094 0.004 0.000 1.060 407 V CA 2.490 64.793 62.300 0.004 0.000 1.042 407 V CB -0.862 30.961 31.823 -0.001 0.000 0.650 407 V HN 0.615 nan 8.190 nan 0.000 0.450 408 E N -0.046 120.157 120.200 0.005 0.000 2.006 408 E HA -0.168 4.182 4.350 0.000 0.000 0.192 408 E C 1.587 178.191 176.600 0.006 0.000 0.993 408 E CA 1.408 57.812 56.400 0.005 0.000 0.808 408 E CB -0.052 29.652 29.700 0.007 0.000 0.764 408 E HN 0.652 nan 8.360 nan 0.000 0.449 409 E N -0.270 119.935 120.200 0.008 0.000 2.685 409 E HA 0.243 4.593 4.350 0.000 0.000 0.208 409 E C 0.143 176.747 176.600 0.007 0.000 0.996 409 E CA 0.011 56.415 56.400 0.006 0.000 1.054 409 E CB 1.236 30.938 29.700 0.004 0.000 1.075 409 E HN 0.332 nan 8.360 nan 0.000 0.460 410 G N 1.057 109.862 108.800 0.009 0.000 2.593 410 G HA2 -0.252 3.708 3.960 0.000 0.000 0.237 410 G HA3 -0.252 3.708 3.960 0.000 0.000 0.237 410 G C -0.242 174.666 174.900 0.012 0.000 1.312 410 G CA -0.307 44.798 45.100 0.010 0.000 0.896 410 G HN 0.640 nan 8.290 nan 0.000 0.574 411 V N -3.074 116.848 119.914 0.013 0.000 3.188 411 V HA 0.975 5.095 4.120 0.000 0.000 0.305 411 V C -0.195 175.908 176.094 0.016 0.000 1.232 411 V CA 0.413 62.722 62.300 0.015 0.000 1.043 411 V CB 1.463 33.295 31.823 0.015 0.000 1.068 411 V HN 2.637 nan 8.190 nan 0.000 0.439 412 V N 1.931 121.855 119.914 0.017 0.000 3.120 412 V HA 0.894 5.014 4.120 0.000 0.000 0.303 412 V C 0.479 176.586 176.094 0.022 0.000 1.238 412 V CA -0.247 62.065 62.300 0.020 0.000 1.008 412 V CB 1.840 33.674 31.823 0.018 0.000 1.064 412 V HN 2.705 nan 8.190 nan 0.000 0.434 413 A N 3.697 126.533 122.820 0.027 0.000 2.500 413 A HA 0.392 4.712 4.320 0.000 0.000 0.286 413 A C 1.076 178.675 177.584 0.025 0.000 1.170 413 A CA 1.123 53.178 52.037 0.030 0.000 0.951 413 A CB -1.351 17.672 19.000 0.039 0.000 0.965 413 A HN 2.108 nan 8.150 nan 0.000 0.551 414 G N 1.426 110.239 108.800 0.022 0.000 2.486 414 G HA2 0.514 4.474 3.960 0.000 0.000 0.272 414 G HA3 0.514 4.474 3.960 0.000 0.000 0.272 414 G C 1.251 176.163 174.900 0.020 0.000 1.426 414 G CA -0.053 45.058 45.100 0.019 0.000 1.058 414 G HN 2.231 nan 8.290 nan 0.000 0.531 415 G N -2.195 106.615 108.800 0.018 0.000 2.273 415 G HA2 0.228 4.188 3.960 0.000 0.000 0.280 415 G HA3 0.228 4.188 3.960 0.000 0.000 0.280 415 G C 1.509 176.419 174.900 0.017 0.000 1.047 415 G CA 1.149 46.261 45.100 0.020 0.000 0.869 415 G HN 2.483 nan 8.290 nan 0.000 0.502 416 G N -2.782 106.024 108.800 0.011 0.000 2.253 416 G HA2 -0.201 3.759 3.960 0.000 0.000 0.251 416 G HA3 -0.201 3.759 3.960 0.000 0.000 0.251 416 G C 1.967 176.872 174.900 0.007 0.000 0.998 416 G CA 1.897 47.000 45.100 0.004 0.000 0.621 416 G HN 2.067 nan 8.290 nan 0.000 0.524 417 V N -0.900 119.023 119.914 0.016 0.000 2.270 417 V HA 0.268 4.388 4.120 0.000 0.000 0.245 417 V C 3.106 179.213 176.094 0.023 0.000 1.043 417 V CA 2.345 64.658 62.300 0.021 0.000 1.014 417 V CB -1.775 30.065 31.823 0.028 0.000 0.645 417 V HN 1.716 nan 8.190 nan 0.000 0.447 418 A N 1.585 124.418 122.820 0.023 0.000 1.900 418 A HA -0.300 4.020 4.320 0.000 0.000 0.225 418 A C 2.282 179.877 177.584 0.018 0.000 1.414 418 A CA 3.210 55.260 52.037 0.021 0.000 0.702 418 A CB -1.135 17.875 19.000 0.017 0.000 0.845 418 A HN 0.629 nan 8.150 nan 0.000 0.478 419 L N -0.959 120.272 121.223 0.014 0.000 2.005 419 L HA -0.164 4.176 4.340 0.000 0.000 0.207 419 L C 2.614 179.492 176.870 0.012 0.000 1.072 419 L CA 1.663 56.510 54.840 0.011 0.000 0.744 419 L CB -0.782 41.282 42.059 0.007 0.000 0.895 419 L HN 0.446 nan 8.230 nan 0.000 0.433 420 I N -0.338 120.239 120.570 0.012 0.000 2.315 420 I HA -0.295 3.875 4.170 0.000 0.000 0.251 420 I C 2.805 178.935 176.117 0.022 0.000 1.125 420 I CA 0.872 62.180 61.300 0.014 0.000 1.392 420 I CB -0.446 37.562 38.000 0.013 0.000 1.065 420 I HN 0.279 nan 8.210 nan 0.000 0.424 421 R N 1.520 122.036 120.500 0.027 0.000 2.082 421 R HA -0.106 4.234 4.340 0.000 0.000 0.228 421 R C 2.195 178.511 176.300 0.026 0.000 1.140 421 R CA 1.848 57.969 56.100 0.034 0.000 0.920 421 R CB -1.121 29.202 30.300 0.040 0.000 0.828 421 R HN 0.093 nan 8.270 nan 0.000 0.430 422 V N 1.311 121.237 119.914 0.020 0.000 2.218 422 V HA -0.347 3.773 4.120 0.000 0.000 0.251 422 V C 2.276 178.377 176.094 0.013 0.000 1.057 422 V CA 2.639 64.947 62.300 0.015 0.000 1.022 422 V CB -1.272 30.558 31.823 0.010 0.000 0.645 422 V HN 0.626 nan 8.190 nan 0.000 0.451 423 A N 0.252 123.078 122.820 0.011 0.000 2.245 423 A HA -0.201 4.119 4.320 0.000 0.000 0.217 423 A C 2.328 179.919 177.584 0.011 0.000 1.171 423 A CA 2.142 54.184 52.037 0.009 0.000 0.688 423 A CB -0.638 18.366 19.000 0.007 0.000 0.781 423 A HN 0.808 nan 8.150 nan 0.000 0.479 424 S N -1.035 114.674 115.700 0.015 0.000 2.478 424 S HA 0.043 4.513 4.470 0.000 0.000 0.222 424 S C 1.678 176.286 174.600 0.014 0.000 1.008 424 S CA 0.718 58.928 58.200 0.016 0.000 0.928 424 S CB -0.024 63.190 63.200 0.024 0.000 0.781 424 S HN 0.626 nan 8.310 nan 0.000 0.518 425 K N 1.454 121.862 120.400 0.013 0.000 2.021 425 K HA 0.259 4.579 4.320 0.000 0.000 0.205 425 K C 1.295 177.900 176.600 0.008 0.000 1.047 425 K CA 0.788 57.082 56.287 0.011 0.000 0.943 425 K CB -0.466 32.040 32.500 0.011 0.000 0.725 425 K HN 0.298 nan 8.250 nan 0.000 0.439 426 L N 1.760 122.987 121.223 0.007 0.000 2.955 426 L HA -0.059 4.281 4.340 0.000 0.000 0.260 426 L C 1.762 178.634 176.870 0.004 0.000 1.146 426 L CA -0.311 54.532 54.840 0.004 0.000 0.905 426 L CB -0.771 41.290 42.059 0.004 0.000 1.136 426 L HN 0.210 nan 8.230 nan 0.000 0.438 427 A N -0.633 122.190 122.820 0.005 0.000 2.172 427 A HA -0.144 4.176 4.320 0.000 0.000 0.216 427 A C 1.775 179.361 177.584 0.003 0.000 1.154 427 A CA 1.213 53.253 52.037 0.004 0.000 0.701 427 A CB -0.151 18.852 19.000 0.005 0.000 0.789 427 A HN 0.396 nan 8.150 nan 0.000 0.465 428 D N -1.178 119.224 120.400 0.003 0.000 2.389 428 D HA 0.099 4.739 4.640 0.000 0.000 0.206 428 D C 0.338 176.638 176.300 0.001 0.000 1.055 428 D CA -0.218 53.783 54.000 0.002 0.000 0.856 428 D CB 0.022 40.823 40.800 0.002 0.000 0.957 428 D HN 0.345 nan 8.370 nan 0.000 0.509 429 L N 2.313 123.537 121.223 0.001 0.000 2.578 429 L HA -0.005 4.335 4.340 0.000 0.000 0.279 429 L C 0.182 177.052 176.870 0.000 0.000 1.227 429 L CA 0.773 55.613 54.840 0.001 0.000 0.900 429 L CB 0.042 42.101 42.059 0.001 0.000 1.144 429 L HN -0.158 nan 8.230 nan 0.000 0.496 430 R N 3.164 123.664 120.500 -0.000 0.000 2.855 430 R HA 0.722 5.062 4.340 0.000 0.000 0.266 430 R C -0.234 176.065 176.300 -0.001 0.000 1.034 430 R CA -0.343 55.756 56.100 -0.000 0.000 0.944 430 R CB 1.480 31.780 30.300 -0.000 0.000 1.219 430 R HN 0.790 nan 8.270 nan 0.000 0.474 431 G N -0.361 108.439 108.800 -0.001 0.000 3.212 431 G HA2 0.224 4.184 3.960 0.000 0.000 0.188 431 G HA3 0.224 4.184 3.960 0.000 0.000 0.188 431 G C 0.037 174.936 174.900 -0.001 0.000 1.254 431 G CA -0.187 44.912 45.100 -0.001 0.000 0.957 431 G HN 0.414 nan 8.290 nan 0.000 0.596 432 Q N -0.396 119.403 119.800 -0.001 0.000 2.204 432 Q HA 0.103 4.443 4.340 0.000 0.000 0.198 432 Q C -0.058 175.941 176.000 -0.002 0.000 0.946 432 Q CA 0.704 56.506 55.803 -0.002 0.000 0.859 432 Q CB 0.125 28.862 28.738 -0.002 0.000 0.946 432 Q HN 0.590 nan 8.270 nan 0.000 0.474 433 N N -1.435 117.264 118.700 -0.002 0.000 2.321 433 N HA 0.402 5.142 4.740 0.000 0.000 0.290 433 N C -0.024 175.485 175.510 -0.002 0.000 1.212 433 N CA -0.016 53.033 53.050 -0.002 0.000 0.767 433 N CB 0.775 39.260 38.487 -0.002 0.000 1.494 433 N HN -0.067 nan 8.380 nan 0.000 0.479 434 A N 0.501 123.320 122.820 -0.001 0.000 1.915 434 A HA -0.256 4.064 4.320 0.000 0.000 0.220 434 A C 1.023 178.606 177.584 -0.001 0.000 1.198 434 A CA 2.062 54.098 52.037 -0.001 0.000 0.647 434 A CB -1.000 17.999 19.000 -0.001 0.000 0.825 434 A HN 0.759 nan 8.150 nan 0.000 0.456 435 D N -1.184 119.215 120.400 -0.002 0.000 2.411 435 D HA -0.061 4.579 4.640 0.000 0.000 0.226 435 D C 1.655 177.954 176.300 -0.001 0.000 0.988 435 D CA 1.000 54.999 54.000 -0.002 0.000 0.938 435 D CB -0.036 40.763 40.800 -0.002 0.000 0.883 435 D HN 0.733 nan 8.370 nan 0.000 0.525 436 Q N -1.032 118.767 119.800 -0.001 0.000 2.404 436 Q HA 0.097 4.437 4.340 0.000 0.000 0.262 436 Q C 1.398 177.398 176.000 -0.001 0.000 0.846 436 Q CA -0.226 55.576 55.803 -0.001 0.000 0.978 436 Q CB 0.537 29.274 28.738 -0.001 0.000 1.156 436 Q HN 0.031 nan 8.270 nan 0.000 0.548 437 N N 0.175 118.875 118.700 -0.001 0.000 2.166 437 N HA -0.122 4.618 4.740 0.000 0.000 0.186 437 N C 1.681 177.191 175.510 -0.000 0.000 1.019 437 N CA 1.075 54.124 53.050 -0.000 0.000 0.856 437 N CB 0.023 38.510 38.487 -0.000 0.000 0.993 437 N HN 0.046 nan 8.380 nan 0.000 0.426 438 V N 0.744 120.658 119.914 -0.000 0.000 2.453 438 V HA -0.074 4.046 4.120 0.000 0.000 0.247 438 V C 2.323 178.418 176.094 0.000 0.000 1.048 438 V CA 1.751 64.052 62.300 0.000 0.000 1.049 438 V CB -1.041 30.782 31.823 -0.000 0.000 0.672 438 V HN 0.319 nan 8.190 nan 0.000 0.457 439 G N -0.494 108.306 108.800 0.000 0.000 2.535 439 G HA2 -0.159 3.801 3.960 0.000 0.000 0.218 439 G HA3 -0.159 3.801 3.960 0.000 0.000 0.218 439 G C 1.396 176.297 174.900 0.001 0.000 1.122 439 G CA 0.812 45.912 45.100 0.000 0.000 0.769 439 G HN 0.515 nan 8.290 nan 0.000 0.549 440 I N -0.551 120.019 120.570 0.001 0.000 2.726 440 I HA 0.049 4.219 4.170 0.000 0.000 0.243 440 I C 2.401 178.518 176.117 0.001 0.000 1.082 440 I CA 0.181 61.481 61.300 0.001 0.000 1.447 440 I CB -0.126 37.874 38.000 0.000 0.000 1.250 440 I HN -0.159 nan 8.210 nan 0.000 0.453 441 K N 1.042 121.443 120.400 0.001 0.000 2.163 441 K HA -0.191 4.129 4.320 0.000 0.000 0.210 441 K C 2.078 178.679 176.600 0.001 0.000 1.048 441 K CA 1.214 57.502 56.287 0.001 0.000 0.928 441 K CB -0.999 31.502 32.500 0.001 0.000 0.716 441 K HN 0.193 nan 8.250 nan 0.000 0.459 442 V N 1.258 121.173 119.914 0.001 0.000 2.261 442 V HA -0.253 3.867 4.120 0.000 0.000 0.246 442 V C 2.403 178.499 176.094 0.002 0.000 1.047 442 V CA 2.073 64.374 62.300 0.002 0.000 1.015 442 V CB -0.731 31.093 31.823 0.002 0.000 0.642 442 V HN 0.375 nan 8.190 nan 0.000 0.446 443 A N -0.920 121.901 122.820 0.002 0.000 2.070 443 A HA -0.095 4.225 4.320 0.000 0.000 0.220 443 A C 2.129 179.715 177.584 0.002 0.000 1.159 443 A CA 1.514 53.553 52.037 0.003 0.000 0.656 443 A CB -0.365 18.636 19.000 0.002 0.000 0.800 443 A HN 0.544 nan 8.150 nan 0.000 0.453 444 L N -1.609 119.615 121.223 0.002 0.000 2.071 444 L HA -0.006 4.334 4.340 0.000 0.000 0.201 444 L C 2.627 179.498 176.870 0.002 0.000 1.076 444 L CA 1.205 56.046 54.840 0.003 0.000 0.755 444 L CB -0.566 41.495 42.059 0.003 0.000 0.915 444 L HN 0.375 nan 8.230 nan 0.000 0.445 445 R N 0.944 121.445 120.500 0.002 0.000 2.261 445 R HA -0.169 4.171 4.340 0.000 0.000 0.236 445 R C 1.644 177.944 176.300 -0.000 0.000 1.141 445 R CA 1.286 57.387 56.100 0.001 0.000 1.001 445 R CB -0.083 30.217 30.300 0.000 0.000 0.866 445 R HN 0.373 nan 8.270 nan 0.000 0.468 446 A N -0.398 122.422 122.820 0.001 0.000 2.307 446 A HA 0.142 4.462 4.320 0.000 0.000 0.218 446 A C 1.419 179.004 177.584 0.002 0.000 1.228 446 A CA -0.075 51.963 52.037 0.001 0.000 0.857 446 A CB 0.081 19.083 19.000 0.003 0.000 0.897 446 A HN 0.319 nan 8.150 nan 0.000 0.495 447 M N -1.475 118.126 119.600 0.001 0.000 2.461 447 M HA 0.126 4.606 4.480 0.000 0.000 0.255 447 M C 1.041 177.341 176.300 -0.000 0.000 1.137 447 M CA 0.399 55.701 55.300 0.002 0.000 1.086 447 M CB 0.195 32.797 32.600 0.003 0.000 1.356 447 M HN 0.330 nan 8.290 nan 0.000 0.487 448 E N 1.136 121.334 120.200 -0.003 0.000 2.511 448 E HA 0.038 4.388 4.350 0.000 0.000 0.196 448 E C 1.742 178.335 176.600 -0.013 0.000 1.066 448 E CA 0.212 56.607 56.400 -0.007 0.000 0.871 448 E CB 0.142 29.837 29.700 -0.007 0.000 0.863 448 E HN 0.458 nan 8.360 nan 0.000 0.520 449 A N 2.093 124.907 122.820 -0.009 0.000 1.826 449 A HA -0.053 4.267 4.320 0.000 0.000 0.214 449 A C -0.371 177.204 177.584 -0.015 0.000 1.212 449 A CA 0.721 52.751 52.037 -0.012 0.000 0.605 449 A CB -1.461 17.535 19.000 -0.006 0.000 0.861 449 A HN 0.080 nan 8.150 nan 0.000 0.447 450 P HA -0.217 nan 4.420 nan 0.000 0.219 450 P C 1.675 178.963 177.300 -0.021 0.000 1.158 450 P CA 1.467 64.561 63.100 -0.011 0.000 0.895 450 P CB -0.071 31.627 31.700 -0.003 0.000 0.792 451 L N -0.709 120.498 121.223 -0.026 0.000 1.961 451 L HA -0.103 4.237 4.340 0.000 0.000 0.209 451 L C 2.407 179.236 176.870 -0.069 0.000 1.075 451 L CA 1.784 56.596 54.840 -0.047 0.000 0.749 451 L CB -0.896 41.135 42.059 -0.047 0.000 0.890 451 L HN -0.280 nan 8.230 nan 0.000 0.433 452 R N -1.016 119.447 120.500 -0.061 0.000 2.257 452 R HA -0.304 4.036 4.340 0.000 0.000 0.265 452 R C 2.241 178.504 176.300 -0.061 0.000 1.191 452 R CA 1.886 57.947 56.100 -0.065 0.000 1.010 452 R CB -0.316 29.959 30.300 -0.042 0.000 0.883 452 R HN 0.487 nan 8.270 nan 0.000 0.473 453 Q N 0.526 120.298 119.800 -0.048 0.000 2.013 453 Q HA -0.001 4.339 4.340 0.000 0.000 0.195 453 Q C 1.885 177.859 176.000 -0.044 0.000 0.974 453 Q CA 1.394 57.174 55.803 -0.038 0.000 0.826 453 Q CB -0.051 28.673 28.738 -0.024 0.000 0.895 453 Q HN 0.329 nan 8.270 nan 0.000 0.448 454 I N -0.028 120.516 120.570 -0.043 0.000 2.315 454 I HA -0.240 3.930 4.170 0.000 0.000 0.251 454 I C 1.924 178.003 176.117 -0.064 0.000 1.125 454 I CA 0.882 62.159 61.300 -0.038 0.000 1.392 454 I CB -0.570 37.416 38.000 -0.023 0.000 1.065 454 I HN 0.017 nan 8.210 nan 0.000 0.424 455 V N 0.885 120.726 119.914 -0.121 0.000 2.913 455 V HA -0.195 3.925 4.120 0.000 0.000 0.260 455 V C 2.189 178.217 176.094 -0.111 0.000 1.098 455 V CA 1.280 63.465 62.300 -0.191 0.000 1.121 455 V CB -0.317 31.336 31.823 -0.283 0.000 0.714 455 V HN 0.367 nan 8.190 nan 0.000 0.487 456 L N 0.133 121.313 121.223 -0.072 0.000 2.298 456 L HA 0.195 4.535 4.340 0.000 0.000 0.209 456 L C 1.793 178.645 176.870 -0.029 0.000 1.084 456 L CA 1.299 56.112 54.840 -0.046 0.000 0.816 456 L CB -0.452 41.585 42.059 -0.037 0.000 0.967 456 L HN 0.253 nan 8.230 nan 0.000 0.460 457 N N -1.226 117.459 118.700 -0.025 0.000 2.567 457 N HA -0.051 4.689 4.740 0.000 0.000 0.195 457 N C 0.602 176.108 175.510 -0.007 0.000 1.242 457 N CA 0.678 53.720 53.050 -0.013 0.000 0.884 457 N CB -0.363 38.118 38.487 -0.010 0.000 1.007 457 N HN 0.373 nan 8.380 nan 0.000 0.450 458 C N -1.583 117.711 119.300 -0.010 0.000 3.386 458 C HA 0.397 4.857 4.460 0.000 0.000 0.279 458 C C 1.642 176.633 174.990 0.001 0.000 1.508 458 C CA -0.365 58.656 59.018 0.004 0.000 1.801 458 C CB -0.428 27.326 27.740 0.023 0.000 2.798 458 C HN 0.476 nan 8.230 nan 0.000 0.605 459 G N 1.761 110.556 108.800 -0.008 0.000 2.180 459 G HA2 -0.218 3.742 3.960 0.000 0.000 0.263 459 G HA3 -0.218 3.742 3.960 0.000 0.000 0.263 459 G C -0.225 174.671 174.900 -0.007 0.000 0.989 459 G CA 0.585 45.682 45.100 -0.006 0.000 0.692 459 G HN 0.577 nan 8.290 nan 0.000 0.526 460 E N 1.038 121.228 120.200 -0.017 0.000 2.174 460 E HA 0.279 4.629 4.350 0.000 0.000 0.282 460 E C 0.449 177.021 176.600 -0.047 0.000 0.992 460 E CA -0.509 55.879 56.400 -0.021 0.000 0.803 460 E CB 0.738 30.427 29.700 -0.018 0.000 1.090 460 E HN 0.583 nan 8.360 nan 0.000 0.396 461 E N 4.297 124.481 120.200 -0.026 0.000 2.752 461 E HA -0.099 4.251 4.350 0.000 0.000 0.241 461 E C -1.558 175.009 176.600 -0.056 0.000 1.016 461 E CA -0.811 55.572 56.400 -0.029 0.000 0.952 461 E CB 0.223 29.918 29.700 -0.009 0.000 0.921 461 E HN 0.215 nan 8.360 nan 0.000 0.515 462 P HA -0.146 nan 4.420 nan 0.000 0.219 462 P C 1.032 178.296 177.300 -0.059 0.000 1.150 462 P CA 0.834 63.880 63.100 -0.089 0.000 0.814 462 P CB 0.300 31.956 31.700 -0.073 0.000 0.787 463 S N -0.295 115.384 115.700 -0.035 0.000 2.390 463 S HA -0.187 4.283 4.470 0.000 0.000 0.234 463 S C 1.923 176.516 174.600 -0.012 0.000 1.063 463 S CA 1.912 60.101 58.200 -0.019 0.000 1.108 463 S CB -1.629 61.565 63.200 -0.011 0.000 0.975 463 S HN -0.006 nan 8.310 nan 0.000 0.442 464 V N 1.243 121.153 119.914 -0.008 0.000 2.278 464 V HA -0.077 4.043 4.120 0.000 0.000 0.238 464 V C 2.358 178.466 176.094 0.024 0.000 1.039 464 V CA 1.242 63.552 62.300 0.016 0.000 1.017 464 V CB -1.008 30.837 31.823 0.037 0.000 0.657 464 V HN 0.364 nan 8.190 nan 0.000 0.462 465 V N 0.749 120.662 119.914 -0.002 0.000 2.353 465 V HA -0.402 3.718 4.120 0.000 0.000 0.260 465 V C 2.617 178.710 176.094 -0.003 0.000 1.091 465 V CA 2.511 64.797 62.300 -0.024 0.000 1.088 465 V CB -1.354 30.237 31.823 -0.387 0.000 0.672 465 V HN 0.596 nan 8.190 nan 0.000 0.455 466 A N 0.216 123.013 122.820 -0.038 0.000 1.832 466 A HA -0.248 4.072 4.320 0.000 0.000 0.214 466 A C 2.053 179.644 177.584 0.012 0.000 1.204 466 A CA 1.935 53.960 52.037 -0.019 0.000 0.606 466 A CB -0.920 18.063 19.000 -0.029 0.000 0.849 466 A HN 0.615 nan 8.150 nan 0.000 0.445 467 N N -0.570 118.137 118.700 0.011 0.000 2.089 467 N HA -0.196 4.544 4.740 0.000 0.000 0.198 467 N C 1.607 177.134 175.510 0.028 0.000 1.017 467 N CA 2.765 55.825 53.050 0.018 0.000 0.880 467 N CB -0.523 37.973 38.487 0.015 0.000 1.042 467 N HN 0.393 nan 8.380 nan 0.000 0.446 468 T N -0.825 113.750 114.554 0.035 0.000 2.812 468 T HA -0.016 4.334 4.350 0.000 0.000 0.264 468 T C 1.839 176.562 174.700 0.038 0.000 1.042 468 T CA 1.121 63.230 62.100 0.015 0.000 1.140 468 T CB -0.247 68.598 68.868 -0.037 0.000 0.870 468 T HN 0.072 nan 8.240 nan 0.000 0.445 469 V N 1.392 121.334 119.914 0.047 0.000 2.626 469 V HA -0.125 3.995 4.120 0.000 0.000 0.252 469 V C 2.389 178.537 176.094 0.090 0.000 1.067 469 V CA 1.440 63.757 62.300 0.028 0.000 1.081 469 V CB -0.441 31.397 31.823 0.025 0.000 0.686 469 V HN 0.451 nan 8.190 nan 0.000 0.468 470 K N 0.419 120.859 120.400 0.066 0.000 2.031 470 K HA -0.031 4.289 4.320 0.000 0.000 0.205 470 K C 1.986 178.628 176.600 0.070 0.000 1.049 470 K CA 1.198 57.521 56.287 0.060 0.000 0.939 470 K CB -0.559 31.962 32.500 0.035 0.000 0.717 470 K HN 0.529 nan 8.250 nan 0.000 0.438 471 G N 0.735 109.574 108.800 0.065 0.000 2.959 471 G HA2 -0.021 3.939 3.960 0.000 0.000 0.203 471 G HA3 -0.021 3.939 3.960 0.000 0.000 0.203 471 G C 0.412 175.344 174.900 0.054 0.000 1.176 471 G CA 0.631 45.760 45.100 0.048 0.000 0.860 471 G HN 0.370 nan 8.290 nan 0.000 0.507 472 G N -0.477 108.384 108.800 0.101 0.000 3.291 472 G HA2 0.621 4.581 3.960 0.000 0.000 0.173 472 G HA3 0.621 4.581 3.960 0.000 0.000 0.173 472 G C -1.326 173.615 174.900 0.069 0.000 1.099 472 G CA 0.132 45.270 45.100 0.064 0.000 0.794 472 G HN 0.403 nan 8.290 nan 0.000 0.651 473 D N -3.037 117.417 120.400 0.090 0.000 2.808 473 D HA 0.526 5.166 4.640 0.000 0.000 0.294 473 D C 0.404 176.758 176.300 0.090 0.000 1.278 473 D CA 0.691 54.736 54.000 0.074 0.000 0.756 473 D CB 0.368 41.184 40.800 0.026 0.000 1.271 473 D HN 1.972 nan 8.370 nan 0.000 0.425 474 G N 0.162 109.005 108.800 0.072 0.000 2.542 474 G HA2 -0.264 3.696 3.960 0.000 0.000 0.235 474 G HA3 -0.264 3.696 3.960 0.000 0.000 0.235 474 G C -0.181 174.780 174.900 0.102 0.000 1.286 474 G CA 0.047 45.191 45.100 0.072 0.000 0.904 474 G HN 0.788 nan 8.290 nan 0.000 0.577 475 N N -0.015 118.749 118.700 0.106 0.000 2.313 475 N HA 0.185 4.925 4.740 0.000 0.000 0.207 475 N C 0.072 175.678 175.510 0.161 0.000 1.141 475 N CA -0.171 52.943 53.050 0.106 0.000 0.830 475 N CB 0.180 38.712 38.487 0.076 0.000 1.008 475 N HN 0.485 nan 8.380 nan 0.000 0.481 476 Y N 1.457 121.785 120.300 0.047 0.000 2.537 476 Y HA 0.289 4.839 4.550 0.000 0.000 0.339 476 Y C 0.583 176.546 175.900 0.106 0.000 1.066 476 Y CA -0.203 57.937 58.100 0.067 0.000 1.357 476 Y CB 0.010 38.497 38.460 0.044 0.000 1.175 476 Y HN -0.028 nan 8.280 nan 0.000 0.525 477 G N 4.605 113.311 108.800 -0.156 0.000 3.247 477 G HA2 0.311 4.271 3.960 0.000 0.000 0.226 477 G HA3 0.311 4.271 3.960 0.000 0.000 0.226 477 G C -2.204 172.664 174.900 -0.053 0.000 1.220 477 G CA -0.871 44.153 45.100 -0.128 0.000 0.875 477 G HN 0.596 nan 8.290 nan 0.000 0.606 478 Y N 0.862 121.084 120.300 -0.131 0.000 2.373 478 Y HA 0.553 5.103 4.550 0.000 0.000 0.336 478 Y C -0.607 175.171 175.900 -0.205 0.000 0.979 478 Y CA -1.198 56.743 58.100 -0.266 0.000 1.080 478 Y CB 1.804 40.061 38.460 -0.339 0.000 1.190 478 Y HN 0.443 nan 8.280 nan 0.000 0.446 479 N N 4.425 122.865 118.700 -0.433 0.000 2.430 479 N HA 0.205 4.945 4.740 0.000 0.000 0.265 479 N C 0.535 175.865 175.510 -0.301 0.000 1.100 479 N CA 0.765 53.658 53.050 -0.261 0.000 0.961 479 N CB 1.803 40.140 38.487 -0.250 0.000 1.075 479 N HN 0.976 nan 8.380 nan 0.000 0.478 480 A N 4.537 127.384 122.820 0.046 0.000 1.858 480 A HA -0.107 4.213 4.320 0.000 0.000 0.216 480 A C 2.065 179.663 177.584 0.022 0.000 1.190 480 A CA 2.015 54.150 52.037 0.163 0.000 0.617 480 A CB -1.025 18.041 19.000 0.110 0.000 0.827 480 A HN 0.756 nan 8.150 nan 0.000 0.443 481 A N -0.445 122.357 122.820 -0.030 0.000 1.851 481 A HA -0.142 4.178 4.320 0.000 0.000 0.216 481 A C 2.487 180.020 177.584 -0.085 0.000 1.195 481 A CA 2.887 54.898 52.037 -0.044 0.000 0.622 481 A CB -1.510 17.468 19.000 -0.037 0.000 0.831 481 A HN 0.890 nan 8.150 nan 0.000 0.444 482 T N -3.429 111.041 114.554 -0.139 0.000 3.055 482 T HA 0.018 4.368 4.350 0.000 0.000 0.265 482 T C 0.543 175.106 174.700 -0.229 0.000 1.111 482 T CA 1.133 63.138 62.100 -0.158 0.000 1.118 482 T CB -0.410 68.365 68.868 -0.154 0.000 0.909 482 T HN 0.598 nan 8.240 nan 0.000 0.501 483 E N 0.489 120.465 120.200 -0.373 0.000 2.971 483 E HA -0.129 4.221 4.350 0.000 0.000 0.278 483 E C -0.780 175.448 176.600 -0.619 0.000 1.009 483 E CA 0.776 56.883 56.400 -0.488 0.000 0.862 483 E CB -1.135 28.471 29.700 -0.157 0.000 1.436 483 E HN 0.689 nan 8.360 nan 0.000 0.434 484 E N -0.479 119.314 120.200 -0.677 0.000 2.317 484 E HA 0.402 4.752 4.350 0.000 0.000 0.270 484 E C -0.238 176.049 176.600 -0.522 0.000 0.885 484 E CA -0.628 55.496 56.400 -0.460 0.000 0.760 484 E CB 0.996 30.585 29.700 -0.184 0.000 1.227 484 E HN -0.014 nan 8.360 nan 0.000 0.434 485 Y N 0.443 120.625 120.300 -0.195 0.000 2.314 485 Y HA 0.582 5.132 4.550 0.000 0.000 0.359 485 Y C 1.498 177.385 175.900 -0.022 0.000 1.360 485 Y CA 0.775 58.790 58.100 -0.142 0.000 1.697 485 Y CB 0.571 38.982 38.460 -0.081 0.000 1.630 485 Y HN 0.722 nan 8.280 nan 0.000 0.583 486 G N -0.273 108.686 108.800 0.265 0.000 2.325 486 G HA2 -0.129 3.831 3.960 0.000 0.000 0.285 486 G HA3 -0.129 3.831 3.960 0.000 0.000 0.285 486 G C -1.623 173.419 174.900 0.236 0.000 1.303 486 G CA -1.035 44.231 45.100 0.278 0.000 0.970 486 G HN 0.634 nan 8.290 nan 0.000 0.490 487 N N 1.308 120.108 118.700 0.167 0.000 2.399 487 N HA 0.131 4.871 4.740 0.000 0.000 0.259 487 N C 1.912 177.467 175.510 0.075 0.000 1.160 487 N CA -0.411 52.716 53.050 0.128 0.000 0.946 487 N CB 0.534 39.076 38.487 0.092 0.000 1.156 487 N HN 0.440 nan 8.380 nan 0.000 0.489 488 M N 3.327 122.967 119.600 0.067 0.000 2.267 488 M HA -0.162 4.318 4.480 0.000 0.000 0.263 488 M C 1.451 177.770 176.300 0.032 0.000 1.063 488 M CA 0.948 56.271 55.300 0.038 0.000 1.090 488 M CB -0.419 32.202 32.600 0.036 0.000 1.392 488 M HN 0.542 nan 8.290 nan 0.000 0.422 489 I N 0.118 120.711 120.570 0.038 0.000 2.333 489 I HA -0.199 3.971 4.170 0.000 0.000 0.246 489 I C 1.868 177.999 176.117 0.024 0.000 1.106 489 I CA 1.177 62.495 61.300 0.029 0.000 1.411 489 I CB -1.249 36.769 38.000 0.030 0.000 1.082 489 I HN 0.213 nan 8.210 nan 0.000 0.420 490 D N 0.861 121.278 120.400 0.028 0.000 2.117 490 D HA -0.134 4.506 4.640 0.000 0.000 0.197 490 D C 2.191 178.500 176.300 0.016 0.000 0.987 490 D CA 1.103 55.117 54.000 0.023 0.000 0.829 490 D CB -0.143 40.673 40.800 0.027 0.000 0.961 490 D HN 0.282 nan 8.370 nan 0.000 0.460 491 M N -0.322 119.287 119.600 0.016 0.000 2.700 491 M HA 0.041 4.521 4.480 0.000 0.000 0.249 491 M C 1.067 177.367 176.300 0.001 0.000 1.082 491 M CA 0.793 56.096 55.300 0.004 0.000 1.077 491 M CB -0.043 32.555 32.600 -0.004 0.000 1.477 491 M HN 0.090 nan 8.290 nan 0.000 0.529 492 G N 1.946 110.750 108.800 0.007 0.000 2.160 492 G HA2 -0.254 3.706 3.960 0.000 0.000 0.251 492 G HA3 -0.254 3.706 3.960 0.000 0.000 0.251 492 G C 0.023 174.927 174.900 0.006 0.000 1.008 492 G CA -0.178 44.925 45.100 0.006 0.000 0.724 492 G HN 0.535 nan 8.290 nan 0.000 0.514 493 I N 0.858 121.432 120.570 0.008 0.000 2.347 493 I HA 0.573 4.743 4.170 0.000 0.000 0.283 493 I C 0.150 176.276 176.117 0.015 0.000 1.058 493 I CA -0.826 60.479 61.300 0.009 0.000 1.202 493 I CB 0.595 38.598 38.000 0.006 0.000 1.386 493 I HN 0.262 nan 8.210 nan 0.000 0.475 494 L N 3.775 125.007 121.223 0.014 0.000 2.710 494 L HA 0.701 5.041 4.340 0.000 0.000 0.260 494 L C -1.737 175.142 176.870 0.016 0.000 0.993 494 L CA -0.811 54.039 54.840 0.017 0.000 0.877 494 L CB 1.774 43.844 42.059 0.018 0.000 1.461 494 L HN 0.107 nan 8.230 nan 0.000 0.413 495 D N -0.191 120.219 120.400 0.017 0.000 2.619 495 D HA 0.517 5.157 4.640 0.000 0.000 0.241 495 D C -2.814 173.498 176.300 0.019 0.000 1.087 495 D CA -1.260 52.751 54.000 0.018 0.000 0.851 495 D CB 2.202 43.012 40.800 0.017 0.000 1.474 495 D HN 0.351 nan 8.370 nan 0.000 0.478 496 P HA -0.014 nan 4.420 nan 0.000 0.267 496 P C 0.884 178.195 177.300 0.018 0.000 1.201 496 P CA 0.175 63.288 63.100 0.021 0.000 0.775 496 P CB 0.626 32.343 31.700 0.028 0.000 0.854 497 T N 0.999 115.562 114.554 0.015 0.000 2.770 497 T HA -0.140 4.210 4.350 0.000 0.000 0.263 497 T C 1.642 176.347 174.700 0.009 0.000 1.039 497 T CA 1.077 63.183 62.100 0.011 0.000 1.142 497 T CB -0.393 68.479 68.868 0.008 0.000 0.868 497 T HN 0.480 nan 8.240 nan 0.000 0.435 498 K N 0.889 121.295 120.400 0.011 0.000 2.071 498 K HA -0.235 4.085 4.320 0.000 0.000 0.217 498 K C 2.380 178.987 176.600 0.012 0.000 1.054 498 K CA 2.244 58.537 56.287 0.010 0.000 0.937 498 K CB -0.631 31.881 32.500 0.021 0.000 0.719 498 K HN 0.319 nan 8.250 nan 0.000 0.454 499 V N -0.336 119.591 119.914 0.022 0.000 2.307 499 V HA -0.183 3.937 4.120 0.000 0.000 0.245 499 V C 1.755 177.861 176.094 0.020 0.000 1.045 499 V CA 2.526 64.842 62.300 0.028 0.000 1.024 499 V CB -1.013 30.829 31.823 0.031 0.000 0.651 499 V HN 0.414 nan 8.190 nan 0.000 0.449 500 T N 0.122 114.684 114.554 0.014 0.000 2.996 500 T HA -0.135 4.215 4.350 0.000 0.000 0.271 500 T C 1.769 176.469 174.700 0.001 0.000 1.126 500 T CA 1.926 64.032 62.100 0.011 0.000 1.103 500 T CB -0.371 68.503 68.868 0.010 0.000 0.870 500 T HN 0.696 nan 8.240 nan 0.000 0.528 501 R N 0.859 121.354 120.500 -0.008 0.000 2.046 501 R HA 0.018 4.358 4.340 0.000 0.000 0.223 501 R C 2.617 178.885 176.300 -0.053 0.000 1.179 501 R CA 1.212 57.294 56.100 -0.031 0.000 0.952 501 R CB -0.502 29.776 30.300 -0.038 0.000 0.843 501 R HN 0.139 nan 8.270 nan 0.000 0.439 502 S N 0.973 116.637 115.700 -0.060 0.000 2.393 502 S HA -0.314 4.156 4.470 0.000 0.000 0.235 502 S C 2.049 176.645 174.600 -0.007 0.000 1.061 502 S CA 1.829 59.971 58.200 -0.097 0.000 1.129 502 S CB -0.640 62.575 63.200 0.026 0.000 1.011 502 S HN 0.615 nan 8.310 nan 0.000 0.436 503 A N 0.763 123.616 122.820 0.056 0.000 1.948 503 A HA -0.111 4.209 4.320 0.000 0.000 0.220 503 A C 2.138 179.753 177.584 0.051 0.000 1.177 503 A CA 1.768 53.854 52.037 0.081 0.000 0.636 503 A CB -0.657 18.375 19.000 0.054 0.000 0.815 503 A HN 0.438 nan 8.150 nan 0.000 0.449 504 L N -0.442 120.787 121.223 0.010 0.000 2.156 504 L HA -0.130 4.210 4.340 0.000 0.000 0.208 504 L C 2.388 179.251 176.870 -0.012 0.000 1.095 504 L CA 2.008 56.849 54.840 0.001 0.000 0.770 504 L CB -0.536 41.517 42.059 -0.010 0.000 0.914 504 L HN 0.512 nan 8.230 nan 0.000 0.439 505 Q N -1.760 118.003 119.800 -0.062 0.000 1.984 505 Q HA -0.161 4.179 4.340 0.000 0.000 0.196 505 Q C 2.188 178.169 176.000 -0.032 0.000 0.975 505 Q CA 1.609 57.350 55.803 -0.102 0.000 0.827 505 Q CB -0.482 28.113 28.738 -0.239 0.000 0.894 505 Q HN 0.411 nan 8.270 nan 0.000 0.438 506 Y N 1.051 121.352 120.300 0.003 0.000 2.193 506 Y HA -0.258 4.292 4.550 0.000 0.000 0.285 506 Y C 2.436 178.337 175.900 0.001 0.000 1.166 506 Y CA 0.997 59.098 58.100 0.002 0.000 1.181 506 Y CB -0.931 37.530 38.460 0.002 0.000 0.976 506 Y HN 0.191 nan 8.280 nan 0.000 0.520 507 A N -0.098 122.817 122.820 0.159 0.000 1.877 507 A HA -0.133 4.187 4.320 0.000 0.000 0.216 507 A C 2.538 180.161 177.584 0.065 0.000 1.186 507 A CA 2.017 54.107 52.037 0.089 0.000 0.620 507 A CB -1.272 17.763 19.000 0.058 0.000 0.822 507 A HN 0.398 nan 8.150 nan 0.000 0.443 508 A N -0.603 122.248 122.820 0.051 0.000 1.865 508 A HA -0.146 4.174 4.320 0.000 0.000 0.217 508 A C 2.459 180.068 177.584 0.042 0.000 1.191 508 A CA 2.387 54.444 52.037 0.033 0.000 0.623 508 A CB -1.253 17.755 19.000 0.014 0.000 0.826 508 A HN 0.675 nan 8.150 nan 0.000 0.444 509 S N -0.620 115.118 115.700 0.064 0.000 2.427 509 S HA -0.223 4.247 4.470 0.000 0.000 0.231 509 S C 1.904 176.537 174.600 0.055 0.000 1.045 509 S CA 2.393 60.636 58.200 0.072 0.000 1.154 509 S CB -0.942 62.339 63.200 0.135 0.000 1.093 509 S HN 0.406 nan 8.310 nan 0.000 0.422 510 V N 2.873 122.823 119.914 0.061 0.000 2.215 510 V HA -0.286 3.834 4.120 0.000 0.000 0.249 510 V C 2.931 179.040 176.094 0.026 0.000 1.054 510 V CA 2.433 64.755 62.300 0.037 0.000 1.012 510 V CB -1.715 30.127 31.823 0.031 0.000 0.639 510 V HN 0.749 nan 8.190 nan 0.000 0.448 511 A N 0.231 123.066 122.820 0.026 0.000 1.954 511 A HA -0.299 4.021 4.320 0.000 0.000 0.222 511 A C 2.356 179.949 177.584 0.014 0.000 1.199 511 A CA 2.764 54.811 52.037 0.017 0.000 0.657 511 A CB -1.554 17.456 19.000 0.017 0.000 0.823 511 A HN 0.669 nan 8.150 nan 0.000 0.463 512 G N -0.231 108.580 108.800 0.017 0.000 2.587 512 G HA2 -0.236 3.724 3.960 0.000 0.000 0.217 512 G HA3 -0.236 3.724 3.960 0.000 0.000 0.217 512 G C 1.518 176.424 174.900 0.010 0.000 1.240 512 G CA 1.176 46.284 45.100 0.013 0.000 0.794 512 G HN 0.503 nan 8.290 nan 0.000 0.580 513 L N -0.219 121.012 121.223 0.013 0.000 2.034 513 L HA -0.252 4.088 4.340 0.000 0.000 0.217 513 L C 3.140 180.012 176.870 0.004 0.000 1.077 513 L CA 1.791 56.636 54.840 0.010 0.000 0.769 513 L CB -0.558 41.508 42.059 0.013 0.000 0.890 513 L HN 0.274 nan 8.230 nan 0.000 0.435 514 M N -0.570 119.033 119.600 0.004 0.000 2.175 514 M HA -0.170 4.310 4.480 0.000 0.000 0.264 514 M C 2.209 178.507 176.300 -0.003 0.000 1.063 514 M CA 1.695 56.994 55.300 -0.001 0.000 1.119 514 M CB -0.285 32.314 32.600 -0.001 0.000 1.377 514 M HN 0.221 nan 8.290 nan 0.000 0.415 515 I N -0.370 120.200 120.570 0.000 0.000 2.830 515 I HA -0.141 4.029 4.170 0.000 0.000 0.263 515 I C 1.290 177.405 176.117 -0.002 0.000 1.230 515 I CA 0.964 62.263 61.300 -0.001 0.000 1.480 515 I CB -0.584 37.417 38.000 0.001 0.000 1.095 515 I HN 0.322 nan 8.210 nan 0.000 0.455 516 T N -2.457 112.096 114.554 -0.002 0.000 3.268 516 T HA 0.285 4.635 4.350 0.000 0.000 0.258 516 T C 0.188 174.886 174.700 -0.004 0.000 0.966 516 T CA -0.413 61.685 62.100 -0.003 0.000 0.952 516 T CB -0.209 68.658 68.868 -0.002 0.000 1.132 516 T HN -0.101 nan 8.240 nan 0.000 0.536 517 T N 1.405 115.957 114.554 -0.005 0.000 2.841 517 T HA 0.473 4.823 4.350 0.000 0.000 0.283 517 T C 0.236 174.936 174.700 0.000 0.000 1.000 517 T CA -0.655 61.443 62.100 -0.004 0.000 0.977 517 T CB 2.160 71.022 68.868 -0.011 0.000 0.979 517 T HN 0.095 nan 8.240 nan 0.000 0.446 518 E N 0.293 120.501 120.200 0.013 0.000 2.541 518 E HA 0.192 4.542 4.350 0.000 0.000 0.219 518 E C -0.112 176.565 176.600 0.129 0.000 0.922 518 E CA 0.085 56.506 56.400 0.035 0.000 1.095 518 E CB 0.960 30.654 29.700 -0.011 0.000 1.112 518 E HN 0.559 nan 8.360 nan 0.000 0.516 519 C N 1.033 120.406 119.300 0.121 0.000 2.686 519 C HA 0.690 5.150 4.460 0.000 0.000 0.318 519 C C -1.279 173.733 174.990 0.037 0.000 1.160 519 C CA -0.568 58.588 59.018 0.229 0.000 1.396 519 C CB 0.315 28.269 27.740 0.356 0.000 1.924 519 C HN 0.106 nan 8.230 nan 0.000 0.471 520 M N 5.322 124.862 119.600 -0.099 0.000 2.395 520 M HA 0.563 5.043 4.480 0.000 0.000 0.307 520 M C -1.148 175.088 176.300 -0.107 0.000 1.091 520 M CA -0.641 54.548 55.300 -0.185 0.000 0.919 520 M CB 2.155 34.463 32.600 -0.487 0.000 1.662 520 M HN 0.370 nan 8.290 nan 0.000 0.440 521 V N 1.714 121.644 119.914 0.027 0.000 2.357 521 V HA 0.490 4.610 4.120 0.000 0.000 0.281 521 V C -0.358 175.824 176.094 0.145 0.000 1.015 521 V CA -0.307 62.049 62.300 0.093 0.000 0.827 521 V CB 1.717 33.580 31.823 0.066 0.000 1.018 521 V HN 0.971 nan 8.190 nan 0.000 0.432 522 T N 2.417 117.103 114.554 0.220 0.000 2.907 522 T HA 0.486 4.836 4.350 0.000 0.000 0.290 522 T C -0.485 174.236 174.700 0.035 0.000 1.066 522 T CA -0.471 61.708 62.100 0.132 0.000 1.012 522 T CB 1.777 70.735 68.868 0.151 0.000 1.184 522 T HN 0.628 nan 8.240 nan 0.000 0.522 523 D N 0.945 121.342 120.400 -0.004 0.000 2.354 523 D HA 0.299 4.939 4.640 0.000 0.000 0.238 523 D C -0.271 175.988 176.300 -0.069 0.000 1.250 523 D CA -0.046 53.937 54.000 -0.028 0.000 0.911 523 D CB 0.268 41.051 40.800 -0.027 0.000 1.163 523 D HN 0.184 nan 8.370 nan 0.000 0.456 524 L N 2.286 123.473 121.223 -0.061 0.000 2.350 524 L HA 0.279 4.619 4.340 0.000 0.000 0.275 524 L C -1.765 175.053 176.870 -0.087 0.000 1.099 524 L CA -1.899 52.893 54.840 -0.080 0.000 0.808 524 L CB 0.813 42.841 42.059 -0.053 0.000 1.149 524 L HN 0.314 nan 8.230 nan 0.000 0.442 525 P HA -0.068 nan 4.420 nan 0.000 0.314 525 P C -0.831 176.429 177.300 -0.067 0.000 1.521 525 P CA 0.772 63.812 63.100 -0.100 0.000 0.754 525 P CB -0.229 31.402 31.700 -0.114 0.000 1.692 526 K N 0.000 120.367 120.400 -0.055 0.000 2.780 526 K HA 0.000 4.320 4.320 0.000 0.000 0.191 526 K CA 0.000 56.263 56.287 -0.041 0.000 0.838 526 K CB 0.000 32.479 32.500 -0.035 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543