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 3kjs_1_B DATA FIRST_RESID 3 DATA SEQUENCE LFKIRMPETV AEGTRLALRA FSLVVAVDER GGIGDGRSIP WNVPEDMKFF DATA SEQUENCE RDVTTKLRGK NVKPSPAKRN AVVMGRKTWD SIPPKFRPLP GRLNVVLSST DATA SEQUENCE LTTQHLLDXX XXXXXXXXXX DSIVAVNGGL EQALQLLASP NYTPSIETVY DATA SEQUENCE CIGGGSVYAE ALRPPCVHLL QAIYRTTIRA XESSCSVFFR VPESGTEAAA DATA SEQUENCE GIEWQRETIS EELTSANGNE TKYYFEKLIP RNREEEQYLS LVDRIIREGN DATA SEQUENCE VKHDRTGVGT LSIFGAQMRF SLRNNRLPLL TTKRVFWRGV CEELLWFLRG DATA SEQUENCE ETYAKKLSDK GVHIWDDNGS RAFLDSRGLT EYEEMDLGPV YGFQWRHFGA DATA SEQUENCE AYTHHDANYD GQGVDQIKAI VETLKTNPDD RRMLFTAWNP SALPRMALPP DATA SEQUENCE CHLLAQFYVS NGELSCMLYQ RSCDMGLGVP FNIASYALLT ILIAKATGLR DATA SEQUENCE PGELVHTLGD AHVYSNHVEP CNEQLKRVPR AFPYLVFRRE REFLEDYEEG DATA SEQUENCE DMEVIDYAPY PP 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.642 176.870 -0.381 0.000 1.165 3 L CA 0.000 54.691 54.840 -0.248 0.000 0.813 3 L CB 0.000 41.985 42.059 -0.123 0.000 0.961 4 F N 1.630 121.521 119.950 -0.099 0.000 2.639 4 F HA 0.422 4.944 4.527 -0.009 0.000 0.302 4 F C 0.946 176.708 175.800 -0.064 0.000 1.097 4 F CA -0.414 57.555 58.000 -0.050 0.000 1.294 4 F CB 0.045 39.038 39.000 -0.011 0.000 1.027 4 F HN -0.163 nan 8.300 nan 0.000 0.550 5 K N 0.509 120.896 120.400 -0.023 0.000 2.117 5 K HA 0.505 4.819 4.320 -0.009 0.000 0.240 5 K C -0.262 176.396 176.600 0.097 0.000 1.031 5 K CA -0.539 55.725 56.287 -0.039 0.000 0.909 5 K CB 1.075 33.380 32.500 -0.325 0.000 1.097 5 K HN -0.033 nan 8.250 nan 0.000 0.492 6 I N 1.684 122.371 120.570 0.195 0.000 2.330 6 I HA 0.211 4.376 4.170 -0.009 0.000 0.289 6 I C 0.227 176.545 176.117 0.335 0.000 1.001 6 I CA -0.528 60.897 61.300 0.208 0.000 1.193 6 I CB 1.275 39.342 38.000 0.112 0.000 1.345 6 I HN 0.372 nan 8.210 nan 0.000 0.461 7 R N 6.916 127.574 120.500 0.265 0.000 2.347 7 R HA 0.303 4.637 4.340 -0.009 0.000 0.304 7 R C -0.282 175.995 176.300 -0.038 0.000 1.072 7 R CA -0.611 55.508 56.100 0.032 0.000 0.980 7 R CB 0.609 30.886 30.300 -0.038 0.000 0.986 7 R HN 0.488 nan 8.270 nan 0.000 0.448 8 M N 5.595 125.133 119.600 -0.103 0.000 2.243 8 M HA 0.224 4.698 4.480 -0.009 0.000 0.341 8 M C -1.788 174.459 176.300 -0.088 0.000 1.130 8 M CA -2.282 52.983 55.300 -0.059 0.000 1.162 8 M CB 0.240 32.828 32.600 -0.021 0.000 1.497 8 M HN 0.489 nan 8.290 nan 0.000 0.456 9 P HA 0.183 nan 4.420 nan 0.000 0.269 9 P C 0.539 177.800 177.300 -0.066 0.000 1.215 9 P CA 0.154 63.217 63.100 -0.062 0.000 0.780 9 P CB 0.076 31.746 31.700 -0.051 0.000 0.898 10 E N 0.994 121.157 120.200 -0.061 0.000 2.153 10 E HA -0.060 4.284 4.350 -0.009 0.000 0.194 10 E C 1.040 177.613 176.600 -0.045 0.000 0.988 10 E CA 1.585 57.951 56.400 -0.057 0.000 0.811 10 E CB -0.902 28.768 29.700 -0.049 0.000 0.746 10 E HN 0.739 nan 8.360 nan 0.000 0.466 11 T N -2.801 111.729 114.554 -0.039 0.000 2.887 11 T HA 0.595 4.940 4.350 -0.009 0.000 0.288 11 T C 0.130 174.811 174.700 -0.032 0.000 1.021 11 T CA -0.482 61.599 62.100 -0.031 0.000 1.000 11 T CB 1.782 70.635 68.868 -0.026 0.000 1.034 11 T HN 0.133 nan 8.240 nan 0.000 0.467 12 V N 1.894 121.792 119.914 -0.026 0.000 2.963 12 V HA 0.458 4.572 4.120 -0.009 0.000 0.306 12 V C 1.352 177.431 176.094 -0.024 0.000 1.077 12 V CA -0.509 61.774 62.300 -0.027 0.000 1.124 12 V CB 0.133 31.947 31.823 -0.015 0.000 0.987 12 V HN 1.264 nan 8.190 nan 0.000 0.487 13 A N 2.996 125.800 122.820 -0.027 0.000 2.498 13 A HA 0.156 4.471 4.320 -0.009 0.000 0.239 13 A C 0.607 178.186 177.584 -0.008 0.000 1.068 13 A CA -0.088 51.938 52.037 -0.019 0.000 0.766 13 A CB 0.049 19.038 19.000 -0.020 0.000 1.003 13 A HN 0.859 nan 8.150 nan 0.000 0.497 14 E N 1.255 121.451 120.200 -0.007 0.000 2.328 14 E HA 0.292 4.637 4.350 -0.009 0.000 0.265 14 E C 1.003 177.606 176.600 0.005 0.000 1.057 14 E CA 1.192 57.591 56.400 -0.002 0.000 0.916 14 E CB 0.066 29.765 29.700 -0.003 0.000 0.993 14 E HN 1.499 nan 8.360 nan 0.000 0.446 15 G N 3.676 112.481 108.800 0.008 0.000 2.159 15 G HA2 -0.222 3.732 3.960 -0.009 0.000 0.227 15 G HA3 -0.222 3.732 3.960 -0.009 0.000 0.227 15 G C 0.257 175.168 174.900 0.018 0.000 0.986 15 G CA 0.169 45.278 45.100 0.014 0.000 0.651 15 G HN 0.580 nan 8.290 nan 0.000 0.523 16 T N 1.530 116.094 114.554 0.016 0.000 2.853 16 T HA 0.554 4.898 4.350 -0.009 0.000 0.298 16 T C 0.854 175.568 174.700 0.024 0.000 0.978 16 T CA 0.707 62.821 62.100 0.022 0.000 1.152 16 T CB 0.906 69.785 68.868 0.017 0.000 0.914 16 T HN 1.112 nan 8.240 nan 0.000 0.539 17 R N 2.891 123.409 120.500 0.029 0.000 2.441 17 R HA 0.538 4.872 4.340 -0.009 0.000 0.284 17 R C 0.005 176.317 176.300 0.021 0.000 1.070 17 R CA -0.650 55.464 56.100 0.022 0.000 1.047 17 R CB -0.097 30.214 30.300 0.018 0.000 1.016 17 R HN 0.812 nan 8.270 nan 0.000 0.477 18 L N 1.847 123.078 121.223 0.013 0.000 2.439 18 L HA 0.494 4.828 4.340 -0.009 0.000 0.269 18 L C 1.058 177.926 176.870 -0.002 0.000 1.179 18 L CA -0.057 54.791 54.840 0.013 0.000 0.828 18 L CB 1.130 43.194 42.059 0.008 0.000 1.106 18 L HN 0.974 nan 8.230 nan 0.000 0.467 19 A N 5.024 127.848 122.820 0.007 0.000 2.566 19 A HA 0.256 4.571 4.320 -0.009 0.000 0.245 19 A C -0.637 176.919 177.584 -0.048 0.000 1.056 19 A CA 0.089 52.117 52.037 -0.015 0.000 0.757 19 A CB -0.311 18.698 19.000 0.015 0.000 0.979 19 A HN 0.488 nan 8.150 nan 0.000 0.508 20 L N 2.682 123.841 121.223 -0.107 0.000 2.333 20 L HA 0.505 4.840 4.340 -0.009 0.000 0.280 20 L C 0.416 177.220 176.870 -0.110 0.000 1.004 20 L CA -0.399 54.374 54.840 -0.111 0.000 0.820 20 L CB 1.732 43.712 42.059 -0.133 0.000 1.247 20 L HN 0.826 nan 8.230 nan 0.000 0.416 21 R N 2.366 122.838 120.500 -0.046 0.000 2.594 21 R HA 0.650 4.985 4.340 -0.009 0.000 0.272 21 R C -0.377 175.975 176.300 0.087 0.000 1.074 21 R CA 0.151 56.255 56.100 0.007 0.000 1.105 21 R CB 0.807 31.108 30.300 0.002 0.000 1.008 21 R HN 0.737 nan 8.270 nan 0.000 0.472 22 A N 3.604 126.501 122.820 0.129 0.000 2.322 22 A HA 0.564 4.878 4.320 -0.009 0.000 0.269 22 A C -0.818 176.924 177.584 0.263 0.000 1.094 22 A CA -0.264 51.900 52.037 0.211 0.000 0.807 22 A CB 0.074 19.175 19.000 0.168 0.000 1.047 22 A HN 0.659 nan 8.150 nan 0.000 0.487 23 F N -0.990 118.968 119.950 0.013 0.000 2.662 23 F HA 0.788 5.309 4.527 -0.010 0.000 0.312 23 F C -0.462 175.344 175.800 0.011 0.000 1.113 23 F CA -1.002 56.979 58.000 -0.032 0.000 0.951 23 F CB 0.967 39.963 39.000 -0.008 0.000 1.344 23 F HN 0.351 nan 8.300 nan 0.000 0.462 24 S N 1.620 117.280 115.700 -0.067 0.000 2.568 24 S HA 0.738 5.202 4.470 -0.009 0.000 0.302 24 S C -1.323 173.443 174.600 0.277 0.000 1.082 24 S CA -0.726 57.480 58.200 0.011 0.000 1.009 24 S CB 1.796 65.070 63.200 0.124 0.000 1.069 24 S HN 0.832 nan 8.310 nan 0.000 0.500 25 L N 2.995 124.386 121.223 0.280 0.000 2.322 25 L HA 0.804 5.138 4.340 -0.009 0.000 0.281 25 L C -0.927 176.175 176.870 0.388 0.000 1.014 25 L CA -0.549 54.499 54.840 0.347 0.000 0.815 25 L CB 1.359 43.541 42.059 0.205 0.000 1.247 25 L HN 0.490 nan 8.230 nan 0.000 0.421 26 V N 6.324 126.480 119.914 0.404 0.000 2.604 26 V HA 0.820 4.935 4.120 -0.009 0.000 0.305 26 V C -1.427 174.814 176.094 0.246 0.000 1.043 26 V CA -0.266 62.262 62.300 0.380 0.000 0.888 26 V CB 2.063 34.120 31.823 0.390 0.000 0.995 26 V HN 0.605 nan 8.190 nan 0.000 0.429 27 V N 5.646 125.644 119.914 0.139 0.000 3.077 27 V HA 0.908 5.022 4.120 -0.009 0.000 0.299 27 V C -0.610 175.529 176.094 0.075 0.000 1.276 27 V CA 0.196 62.470 62.300 -0.043 0.000 0.993 27 V CB 2.255 33.691 31.823 -0.644 0.000 1.076 27 V HN 1.558 nan 8.190 nan 0.000 0.434 28 A N 5.321 128.209 122.820 0.114 0.000 2.304 28 A HA 0.883 5.197 4.320 -0.009 0.000 0.314 28 A C -0.648 177.120 177.584 0.305 0.000 1.187 28 A CA -0.087 52.081 52.037 0.219 0.000 0.810 28 A CB 1.337 20.557 19.000 0.367 0.000 1.183 28 A HN 1.907 nan 8.150 nan 0.000 0.487 29 V N 0.574 120.577 119.914 0.148 0.000 2.864 29 V HA 0.806 4.920 4.120 -0.009 0.000 0.314 29 V C -0.321 175.706 176.094 -0.112 0.000 1.073 29 V CA -0.867 61.529 62.300 0.160 0.000 0.956 29 V CB 1.711 33.613 31.823 0.132 0.000 1.023 29 V HN 0.903 nan 8.190 nan 0.000 0.435 30 D N 0.975 121.339 120.400 -0.059 0.000 2.478 30 D HA 0.231 4.866 4.640 -0.009 0.000 0.274 30 D C 0.676 176.936 176.300 -0.067 0.000 1.234 30 D CA -0.293 53.589 54.000 -0.197 0.000 1.069 30 D CB 0.566 41.304 40.800 -0.103 0.000 1.113 30 D HN 0.664 nan 8.370 nan 0.000 0.571 31 E N -1.347 118.819 120.200 -0.057 0.000 2.347 31 E HA -0.029 4.315 4.350 -0.009 0.000 0.196 31 E C 1.563 178.178 176.600 0.026 0.000 1.008 31 E CA 0.379 56.768 56.400 -0.019 0.000 0.852 31 E CB 0.052 29.741 29.700 -0.018 0.000 0.783 31 E HN 0.326 nan 8.360 nan 0.000 0.505 32 R N -0.398 120.146 120.500 0.073 0.000 2.317 32 R HA 0.102 4.437 4.340 -0.009 0.000 0.208 32 R C 1.000 177.413 176.300 0.187 0.000 0.914 32 R CA 0.496 56.664 56.100 0.113 0.000 1.060 32 R CB 0.618 31.018 30.300 0.167 0.000 1.015 32 R HN 0.169 nan 8.270 nan 0.000 0.498 33 G N 0.699 109.608 108.800 0.183 0.000 2.136 33 G HA2 -0.236 3.718 3.960 -0.009 0.000 0.242 33 G HA3 -0.236 3.718 3.960 -0.009 0.000 0.242 33 G C 0.334 175.460 174.900 0.376 0.000 0.989 33 G CA -0.180 45.062 45.100 0.235 0.000 0.682 33 G HN 0.508 nan 8.290 nan 0.000 0.522 34 G N -0.280 108.713 108.800 0.322 0.000 2.432 34 G HA2 0.616 4.570 3.960 -0.009 0.000 0.257 34 G HA3 0.616 4.570 3.960 -0.009 0.000 0.257 34 G C 1.097 176.086 174.900 0.150 0.000 1.238 34 G CA -0.043 45.079 45.100 0.036 0.000 0.838 34 G HN 1.237 nan 8.290 nan 0.000 0.547 35 I N -0.395 120.159 120.570 -0.027 0.000 4.456 35 I HA 0.602 4.766 4.170 -0.009 0.000 0.329 35 I C 0.710 176.683 176.117 -0.240 0.000 1.313 35 I CA 0.013 61.317 61.300 0.008 0.000 1.205 35 I CB 0.739 38.796 38.000 0.094 0.000 1.179 35 I HN 0.731 nan 8.210 nan 0.000 0.419 36 G N 1.839 110.476 108.800 -0.272 0.000 2.313 36 G HA2 0.171 4.125 3.960 -0.009 0.000 0.296 36 G HA3 0.171 4.125 3.960 -0.009 0.000 0.296 36 G C -1.349 173.405 174.900 -0.244 0.000 1.356 36 G CA 0.244 45.165 45.100 -0.298 0.000 0.833 36 G HN 0.158 nan 8.290 nan 0.000 0.552 37 D N -1.489 118.795 120.400 -0.193 0.000 2.363 37 D HA 0.394 5.028 4.640 -0.009 0.000 0.214 37 D C 1.548 177.787 176.300 -0.102 0.000 1.093 37 D CA 0.943 54.861 54.000 -0.137 0.000 0.837 37 D CB 0.446 41.183 40.800 -0.105 0.000 0.948 37 D HN 1.980 nan 8.370 nan 0.000 0.507 38 G N 0.919 109.654 108.800 -0.108 0.000 2.284 38 G HA2 -0.305 3.649 3.960 -0.009 0.000 0.216 38 G HA3 -0.305 3.649 3.960 -0.009 0.000 0.216 38 G C 1.404 176.259 174.900 -0.075 0.000 1.009 38 G CA 0.104 45.159 45.100 -0.075 0.000 0.625 38 G HN 0.404 nan 8.290 nan 0.000 0.501 39 R N 0.215 120.662 120.500 -0.089 0.000 2.276 39 R HA 0.470 4.804 4.340 -0.009 0.000 0.195 39 R C 1.079 177.310 176.300 -0.114 0.000 0.908 39 R CA 1.132 57.181 56.100 -0.085 0.000 1.083 39 R CB 0.694 30.952 30.300 -0.068 0.000 1.182 39 R HN 0.687 nan 8.270 nan 0.000 0.608 40 S N -0.344 115.268 115.700 -0.148 0.000 2.688 40 S HA 0.493 4.957 4.470 -0.009 0.000 0.275 40 S C -0.705 173.727 174.600 -0.280 0.000 1.175 40 S CA -0.964 57.120 58.200 -0.194 0.000 0.818 40 S CB 1.330 64.430 63.200 -0.168 0.000 1.157 40 S HN 0.026 nan 8.310 nan 0.000 0.482 41 I N 2.220 122.563 120.570 -0.377 0.000 2.342 41 I HA 0.358 4.523 4.170 -0.009 0.000 0.291 41 I C -1.704 174.060 176.117 -0.590 0.000 1.010 41 I CA -2.122 58.797 61.300 -0.635 0.000 1.308 41 I CB 1.736 39.254 38.000 -0.805 0.000 1.400 41 I HN 0.573 nan 8.210 nan 0.000 0.488 42 P HA 0.090 nan 4.420 nan 0.000 0.253 42 P C -1.232 176.043 177.300 -0.042 0.000 1.459 42 P CA 0.099 63.060 63.100 -0.231 0.000 0.908 42 P CB -0.425 31.209 31.700 -0.111 0.000 1.470 43 W N -1.474 119.789 121.300 -0.062 0.000 3.032 43 W HA 0.647 5.301 4.660 -0.010 0.000 0.341 43 W C -1.223 175.256 176.519 -0.067 0.000 1.202 43 W CA -1.223 56.087 57.345 -0.058 0.000 1.132 43 W CB -0.004 29.420 29.460 -0.060 0.000 1.465 43 W HN -0.364 nan 8.180 nan 0.000 0.576 44 N N 1.248 120.109 118.700 0.269 0.000 2.682 44 N HA 0.437 5.171 4.740 -0.009 0.000 0.252 44 N C -2.090 173.500 175.510 0.133 0.000 1.081 44 N CA -0.463 52.670 53.050 0.137 0.000 0.844 44 N CB 1.380 39.901 38.487 0.056 0.000 1.167 44 N HN 0.414 nan 8.380 nan 0.000 0.523 45 V N 5.893 125.901 119.914 0.157 0.000 2.340 45 V HA 0.346 4.460 4.120 -0.009 0.000 0.277 45 V C -1.603 174.472 176.094 -0.032 0.000 1.017 45 V CA -1.345 60.955 62.300 0.000 0.000 0.820 45 V CB 1.766 33.519 31.823 -0.117 0.000 1.028 45 V HN 0.411 nan 8.190 nan 0.000 0.436 46 P HA -0.082 nan 4.420 nan 0.000 0.218 46 P C 1.198 178.489 177.300 -0.014 0.000 1.149 46 P CA 0.975 64.062 63.100 -0.021 0.000 0.817 46 P CB 0.490 32.185 31.700 -0.009 0.000 0.785 47 E N -0.717 119.433 120.200 -0.083 0.000 2.204 47 E HA -0.170 4.174 4.350 -0.009 0.000 0.194 47 E C 1.662 178.328 176.600 0.110 0.000 0.989 47 E CA 1.043 57.428 56.400 -0.025 0.000 0.824 47 E CB -0.777 28.834 29.700 -0.149 0.000 0.756 47 E HN 0.323 nan 8.360 nan 0.000 0.477 48 D N -0.528 119.881 120.400 0.016 0.000 2.149 48 D HA -0.114 4.521 4.640 -0.009 0.000 0.201 48 D C 1.609 178.070 176.300 0.269 0.000 0.972 48 D CA 0.901 55.041 54.000 0.232 0.000 0.835 48 D CB 0.151 41.032 40.800 0.134 0.000 0.966 48 D HN -0.037 nan 8.370 nan 0.000 0.476 49 M N 0.512 120.201 119.600 0.149 0.000 2.159 49 M HA -0.079 4.395 4.480 -0.009 0.000 0.263 49 M C 2.147 178.535 176.300 0.146 0.000 1.063 49 M CA 1.221 56.607 55.300 0.142 0.000 1.110 49 M CB -1.034 31.582 32.600 0.027 0.000 1.374 49 M HN 0.121 nan 8.290 nan 0.000 0.411 50 K N -0.236 120.227 120.400 0.106 0.000 2.025 50 K HA -0.186 4.128 4.320 -0.009 0.000 0.207 50 K C 2.074 178.694 176.600 0.034 0.000 1.049 50 K CA 1.273 57.593 56.287 0.056 0.000 0.933 50 K CB -0.359 32.179 32.500 0.063 0.000 0.714 50 K HN 0.135 nan 8.250 nan 0.000 0.438 51 F N 1.079 120.999 119.950 -0.049 0.000 2.095 51 F HA -0.221 4.301 4.527 -0.009 0.000 0.298 51 F C 1.929 177.640 175.800 -0.150 0.000 1.104 51 F CA 1.675 59.559 58.000 -0.194 0.000 1.232 51 F CB -0.498 38.250 39.000 -0.420 0.000 0.987 51 F HN 0.145 nan 8.300 nan 0.000 0.475 52 F N 1.405 121.322 119.950 -0.054 0.000 2.102 52 F HA -0.164 4.358 4.527 -0.009 0.000 0.298 52 F C 2.662 178.296 175.800 -0.276 0.000 1.105 52 F CA 2.175 60.083 58.000 -0.152 0.000 1.239 52 F CB -0.841 38.155 39.000 -0.006 0.000 0.991 52 F HN -0.014 nan 8.300 nan 0.000 0.474 53 R N 0.411 120.663 120.500 -0.413 0.000 2.080 53 R HA -0.184 4.150 4.340 -0.009 0.000 0.236 53 R C 1.962 177.964 176.300 -0.497 0.000 1.137 53 R CA 2.317 58.126 56.100 -0.485 0.000 0.943 53 R CB -0.733 29.439 30.300 -0.214 0.000 0.846 53 R HN 0.247 nan 8.270 nan 0.000 0.431 54 D N 0.020 120.162 120.400 -0.429 0.000 2.084 54 D HA -0.164 4.470 4.640 -0.009 0.000 0.194 54 D C 1.891 177.857 176.300 -0.558 0.000 0.990 54 D CA 1.426 55.175 54.000 -0.418 0.000 0.826 54 D CB -0.526 40.067 40.800 -0.346 0.000 0.971 54 D HN 0.163 nan 8.370 nan 0.000 0.453 55 V N 1.106 120.528 119.914 -0.820 0.000 2.515 55 V HA -0.194 3.921 4.120 -0.009 0.000 0.250 55 V C 2.371 177.856 176.094 -1.015 0.000 1.058 55 V CA 2.579 64.322 62.300 -0.929 0.000 1.064 55 V CB -0.593 30.448 31.823 -1.303 0.000 0.675 55 V HN 0.398 nan 8.190 nan 0.000 0.461 56 T N -4.446 109.465 114.554 -1.071 0.000 3.043 56 T HA -0.079 4.265 4.350 -0.009 0.000 0.263 56 T C 1.637 175.987 174.700 -0.583 0.000 1.094 56 T CA 1.494 62.912 62.100 -1.137 0.000 1.127 56 T CB -0.228 68.044 68.868 -0.993 0.000 0.905 56 T HN 0.477 nan 8.240 nan 0.000 0.490 57 T N 1.049 115.324 114.554 -0.465 0.000 2.983 57 T HA 0.194 4.538 4.350 -0.009 0.000 0.250 57 T C 0.762 175.354 174.700 -0.180 0.000 1.037 57 T CA 0.280 62.221 62.100 -0.265 0.000 1.142 57 T CB 0.025 68.751 68.868 -0.237 0.000 0.876 57 T HN 0.381 nan 8.240 nan 0.000 0.455 58 K N 1.386 121.660 120.400 -0.211 0.000 2.326 58 K HA 0.396 4.710 4.320 -0.009 0.000 0.275 58 K C -0.503 176.053 176.600 -0.073 0.000 1.018 58 K CA -0.057 56.148 56.287 -0.136 0.000 0.962 58 K CB 0.591 32.998 32.500 -0.155 0.000 0.953 58 K HN 0.165 nan 8.250 nan 0.000 0.475 59 L N 2.161 123.359 121.223 -0.042 0.000 2.376 59 L HA 0.360 4.695 4.340 -0.009 0.000 0.267 59 L C 1.629 178.491 176.870 -0.014 0.000 1.035 59 L CA -0.818 54.015 54.840 -0.011 0.000 0.800 59 L CB 0.877 42.932 42.059 -0.006 0.000 1.290 59 L HN 0.543 nan 8.230 nan 0.000 0.462 60 R N 0.489 120.986 120.500 -0.006 0.000 2.303 60 R HA -0.036 4.298 4.340 -0.009 0.000 0.225 60 R C 0.605 176.896 176.300 -0.016 0.000 1.114 60 R CA 0.590 56.682 56.100 -0.013 0.000 1.007 60 R CB -0.432 29.858 30.300 -0.018 0.000 0.861 60 R HN 0.759 nan 8.270 nan 0.000 0.471 61 G N 0.356 109.148 108.800 -0.013 0.000 2.539 61 G HA2 0.039 3.993 3.960 -0.009 0.000 0.258 61 G HA3 0.039 3.993 3.960 -0.009 0.000 0.258 61 G C 0.371 175.263 174.900 -0.013 0.000 1.202 61 G CA -0.461 44.633 45.100 -0.011 0.000 0.851 61 G HN 0.020 nan 8.290 nan 0.000 0.556 62 K N 0.184 120.579 120.400 -0.009 0.000 2.031 62 K HA -0.034 4.280 4.320 -0.009 0.000 0.205 62 K C 0.765 177.359 176.600 -0.010 0.000 1.049 62 K CA 0.873 57.155 56.287 -0.008 0.000 0.939 62 K CB -0.007 32.491 32.500 -0.004 0.000 0.717 62 K HN 0.612 nan 8.250 nan 0.000 0.438 63 N N 1.459 120.154 118.700 -0.008 0.000 2.645 63 N HA 0.032 4.766 4.740 -0.009 0.000 0.233 63 N C 0.401 175.904 175.510 -0.011 0.000 1.058 63 N CA -0.188 52.857 53.050 -0.009 0.000 0.942 63 N CB 1.703 40.187 38.487 -0.005 0.000 1.210 63 N HN -0.112 nan 8.380 nan 0.000 0.512 64 V N 2.168 122.072 119.914 -0.016 0.000 2.283 64 V HA -0.088 4.027 4.120 -0.009 0.000 0.222 64 V C 0.940 177.024 176.094 -0.016 0.000 1.035 64 V CA 0.539 62.827 62.300 -0.020 0.000 1.028 64 V CB -0.886 30.917 31.823 -0.033 0.000 0.659 64 V HN 0.870 nan 8.190 nan 0.000 0.468 65 K N 1.210 121.598 120.400 -0.020 0.000 5.728 65 K HA -0.146 4.168 4.320 -0.009 0.000 0.427 65 K C -2.488 174.105 176.600 -0.012 0.000 1.056 65 K CA 0.133 56.411 56.287 -0.016 0.000 1.274 65 K CB -0.929 31.565 32.500 -0.010 0.000 1.831 65 K HN 0.481 nan 8.250 nan 0.000 0.384 66 P HA 0.060 nan 4.420 nan 0.000 0.271 66 P C -0.601 176.698 177.300 -0.001 0.000 1.220 66 P CA -0.087 63.009 63.100 -0.008 0.000 0.768 66 P CB 1.563 33.254 31.700 -0.016 0.000 0.848 67 S N 2.641 118.344 115.700 0.006 0.000 2.732 67 S HA 0.594 5.058 4.470 -0.009 0.000 0.293 67 S C -2.238 172.371 174.600 0.015 0.000 1.159 67 S CA -1.564 56.641 58.200 0.009 0.000 0.847 67 S CB 1.163 64.367 63.200 0.006 0.000 1.169 67 S HN 0.058 nan 8.310 nan 0.000 0.501 68 P HA 0.094 nan 4.420 nan 0.000 0.221 68 P C 1.200 178.508 177.300 0.013 0.000 1.145 68 P CA 1.546 64.656 63.100 0.015 0.000 0.795 68 P CB -0.183 31.522 31.700 0.008 0.000 0.775 69 A N -1.498 121.328 122.820 0.011 0.000 1.903 69 A HA 0.017 4.331 4.320 -0.009 0.000 0.213 69 A C 1.112 178.707 177.584 0.019 0.000 1.185 69 A CA 1.216 53.260 52.037 0.011 0.000 0.628 69 A CB -0.079 18.927 19.000 0.009 0.000 0.830 69 A HN -0.049 nan 8.150 nan 0.000 0.446 70 K N 0.301 120.713 120.400 0.019 0.000 2.613 70 K HA 0.408 4.722 4.320 -0.009 0.000 0.248 70 K C -1.097 175.517 176.600 0.024 0.000 0.959 70 K CA -0.278 56.023 56.287 0.023 0.000 0.855 70 K CB 1.814 34.324 32.500 0.017 0.000 1.143 70 K HN 0.751 nan 8.250 nan 0.000 0.437 71 R N 0.660 121.181 120.500 0.035 0.000 2.733 71 R HA 0.458 4.793 4.340 -0.009 0.000 0.272 71 R C -0.926 175.407 176.300 0.053 0.000 1.029 71 R CA -0.983 55.139 56.100 0.035 0.000 0.888 71 R CB 0.764 31.084 30.300 0.034 0.000 1.251 71 R HN 0.177 nan 8.270 nan 0.000 0.464 72 N N -0.446 118.290 118.700 0.061 0.000 2.482 72 N HA 0.563 5.298 4.740 -0.009 0.000 0.279 72 N C -1.025 174.542 175.510 0.096 0.000 1.182 72 N CA -0.393 52.720 53.050 0.105 0.000 0.969 72 N CB 1.875 40.479 38.487 0.195 0.000 1.201 72 N HN 0.698 nan 8.380 nan 0.000 0.523 73 A N 0.171 123.056 122.820 0.109 0.000 2.340 73 A HA 0.633 4.947 4.320 -0.009 0.000 0.331 73 A C -0.309 177.353 177.584 0.130 0.000 1.140 73 A CA -0.684 51.399 52.037 0.077 0.000 0.801 73 A CB 0.676 19.683 19.000 0.013 0.000 1.234 73 A HN 0.432 nan 8.150 nan 0.000 0.469 74 V N 0.379 120.351 119.914 0.096 0.000 2.448 74 V HA 0.768 4.882 4.120 -0.009 0.000 0.295 74 V C -0.553 175.587 176.094 0.076 0.000 1.025 74 V CA -0.706 61.670 62.300 0.127 0.000 0.859 74 V CB 1.034 32.928 31.823 0.118 0.000 0.988 74 V HN 0.574 nan 8.190 nan 0.000 0.431 75 V N 7.103 127.057 119.914 0.068 0.000 2.384 75 V HA 0.667 4.782 4.120 -0.009 0.000 0.287 75 V C 0.132 176.221 176.094 -0.008 0.000 1.020 75 V CA -0.292 62.003 62.300 -0.009 0.000 0.850 75 V CB 1.324 33.103 31.823 -0.073 0.000 0.987 75 V HN 1.101 nan 8.190 nan 0.000 0.436 76 M N 3.509 123.097 119.600 -0.021 0.000 2.550 76 M HA 0.868 5.343 4.480 -0.009 0.000 0.292 76 M C 0.073 176.343 176.300 -0.050 0.000 1.221 76 M CA -0.522 54.762 55.300 -0.028 0.000 0.873 76 M CB 2.225 34.860 32.600 0.059 0.000 1.727 76 M HN 0.581 nan 8.290 nan 0.000 0.459 77 G N 1.039 109.795 108.800 -0.073 0.000 2.569 77 G HA2 0.237 4.191 3.960 -0.009 0.000 0.249 77 G HA3 0.237 4.191 3.960 -0.009 0.000 0.249 77 G C 0.353 175.256 174.900 0.006 0.000 1.216 77 G CA -0.577 44.489 45.100 -0.057 0.000 0.845 77 G HN 0.996 nan 8.290 nan 0.000 0.568 78 R N 0.217 120.718 120.500 0.002 0.000 2.105 78 R HA -0.100 4.235 4.340 -0.009 0.000 0.239 78 R C 2.165 178.535 176.300 0.116 0.000 1.135 78 R CA 1.461 57.595 56.100 0.057 0.000 0.967 78 R CB -0.146 30.163 30.300 0.015 0.000 0.861 78 R HN 0.520 nan 8.270 nan 0.000 0.442 79 K N -0.688 119.739 120.400 0.044 0.000 2.097 79 K HA -0.057 4.258 4.320 -0.009 0.000 0.205 79 K C 1.997 178.603 176.600 0.010 0.000 1.050 79 K CA 1.667 57.967 56.287 0.021 0.000 0.938 79 K CB -0.151 32.340 32.500 -0.016 0.000 0.718 79 K HN 0.225 nan 8.250 nan 0.000 0.442 80 T N 1.155 115.712 114.554 0.005 0.000 2.777 80 T HA -0.164 4.181 4.350 -0.009 0.000 0.266 80 T C 1.312 176.040 174.700 0.048 0.000 1.040 80 T CA 0.897 62.987 62.100 -0.018 0.000 1.141 80 T CB -0.269 68.568 68.868 -0.052 0.000 0.868 80 T HN 0.455 nan 8.240 nan 0.000 0.444 81 W N 2.525 123.791 121.300 -0.057 0.000 2.335 81 W HA -0.188 4.466 4.660 -0.010 0.000 0.311 81 W C 1.327 177.831 176.519 -0.024 0.000 1.213 81 W CA 1.453 58.779 57.345 -0.031 0.000 1.274 81 W CB -0.337 29.107 29.460 -0.027 0.000 1.148 81 W HN 0.234 nan 8.180 nan 0.000 0.498 82 D N 0.151 120.569 120.400 0.030 0.000 2.144 82 D HA -0.185 4.449 4.640 -0.009 0.000 0.199 82 D C 2.451 178.671 176.300 -0.134 0.000 0.984 82 D CA 2.309 56.265 54.000 -0.073 0.000 0.834 82 D CB -0.603 40.212 40.800 0.026 0.000 0.955 82 D HN 0.240 nan 8.370 nan 0.000 0.465 83 S N -0.097 115.538 115.700 -0.107 0.000 2.481 83 S HA -0.056 4.409 4.470 -0.009 0.000 0.231 83 S C 1.059 175.574 174.600 -0.142 0.000 0.996 83 S CA -0.018 58.111 58.200 -0.119 0.000 0.942 83 S CB -0.392 62.736 63.200 -0.120 0.000 0.768 83 S HN 0.148 nan 8.310 nan 0.000 0.520 84 I N 3.147 123.607 120.570 -0.183 0.000 2.396 84 I HA 0.303 4.467 4.170 -0.009 0.000 0.289 84 I C -2.497 173.521 176.117 -0.164 0.000 1.056 84 I CA -2.567 58.628 61.300 -0.175 0.000 1.365 84 I CB 0.667 38.537 38.000 -0.217 0.000 1.407 84 I HN -0.012 nan 8.210 nan 0.000 0.509 85 P HA 0.072 nan 4.420 nan 0.000 0.268 85 P C -2.029 175.230 177.300 -0.068 0.000 1.204 85 P CA -1.014 62.087 63.100 0.003 0.000 0.768 85 P CB 0.139 31.938 31.700 0.164 0.000 0.842 86 P HA -0.228 nan 4.420 nan 0.000 0.217 86 P C 1.133 178.335 177.300 -0.163 0.000 1.148 86 P CA 1.911 64.910 63.100 -0.168 0.000 0.828 86 P CB -0.267 31.361 31.700 -0.121 0.000 0.783 87 K N -1.913 118.355 120.400 -0.220 0.000 2.362 87 K HA -0.061 4.253 4.320 -0.009 0.000 0.200 87 K C 1.048 177.377 176.600 -0.451 0.000 1.046 87 K CA 1.308 57.380 56.287 -0.358 0.000 0.952 87 K CB -0.726 31.477 32.500 -0.494 0.000 0.753 87 K HN 0.145 nan 8.250 nan 0.000 0.466 88 F N 1.523 121.412 119.950 -0.102 0.000 2.731 88 F HA 0.260 4.782 4.527 -0.010 0.000 0.298 88 F C 0.625 176.362 175.800 -0.104 0.000 1.106 88 F CA -0.550 57.397 58.000 -0.088 0.000 1.329 88 F CB 0.330 39.279 39.000 -0.084 0.000 1.100 88 F HN -0.225 nan 8.300 nan 0.000 0.592 89 R N 1.693 122.175 120.500 -0.030 0.000 2.459 89 R HA 0.313 4.648 4.340 -0.009 0.000 0.281 89 R C -2.162 174.151 176.300 0.021 0.000 1.050 89 R CA -1.642 54.397 56.100 -0.101 0.000 1.055 89 R CB -0.077 29.960 30.300 -0.438 0.000 1.045 89 R HN -0.091 nan 8.270 nan 0.000 0.495 90 P HA 0.108 nan 4.420 nan 0.000 0.276 90 P C -0.523 176.856 177.300 0.132 0.000 1.261 90 P CA -0.484 62.738 63.100 0.203 0.000 0.800 90 P CB 0.629 32.489 31.700 0.267 0.000 1.066 91 L N 2.019 123.329 121.223 0.145 0.000 2.500 91 L HA 0.143 4.478 4.340 -0.009 0.000 0.272 91 L C -1.911 174.992 176.870 0.055 0.000 1.149 91 L CA -1.606 53.287 54.840 0.089 0.000 0.897 91 L CB -0.546 41.560 42.059 0.079 0.000 1.178 91 L HN 0.207 nan 8.230 nan 0.000 0.473 92 P HA 0.061 nan 4.420 nan 0.000 0.269 92 P C 0.867 178.162 177.300 -0.008 0.000 1.209 92 P CA 0.341 63.454 63.100 0.021 0.000 0.776 92 P CB 0.872 32.584 31.700 0.020 0.000 0.876 93 G N 1.319 110.117 108.800 -0.002 0.000 2.189 93 G HA2 -0.282 3.673 3.960 -0.009 0.000 0.267 93 G HA3 -0.282 3.673 3.960 -0.009 0.000 0.267 93 G C 0.094 174.986 174.900 -0.014 0.000 0.975 93 G CA -0.000 45.090 45.100 -0.016 0.000 0.644 93 G HN 0.603 nan 8.290 nan 0.000 0.537 94 R N -1.152 119.348 120.500 -0.001 0.000 2.686 94 R HA 0.625 4.959 4.340 -0.009 0.000 0.283 94 R C -0.508 175.818 176.300 0.042 0.000 0.978 94 R CA -1.093 55.014 56.100 0.011 0.000 0.897 94 R CB 1.682 31.971 30.300 -0.020 0.000 1.192 94 R HN 0.192 nan 8.270 nan 0.000 0.457 95 L N 2.576 123.831 121.223 0.052 0.000 2.433 95 L HA 0.155 4.490 4.340 -0.009 0.000 0.275 95 L C -0.562 176.335 176.870 0.046 0.000 1.128 95 L CA 0.513 55.388 54.840 0.058 0.000 0.875 95 L CB 0.131 42.231 42.059 0.068 0.000 1.171 95 L HN 0.509 nan 8.230 nan 0.000 0.463 96 N N 4.798 123.531 118.700 0.055 0.000 2.420 96 N HA 0.238 4.973 4.740 -0.009 0.000 0.249 96 N C -1.214 174.275 175.510 -0.035 0.000 1.033 96 N CA -0.448 52.640 53.050 0.062 0.000 0.944 96 N CB 1.431 40.020 38.487 0.168 0.000 1.113 96 N HN 0.369 nan 8.380 nan 0.000 0.502 97 V N 3.422 123.306 119.914 -0.050 0.000 2.357 97 V HA 0.301 4.416 4.120 -0.009 0.000 0.284 97 V C 0.147 176.160 176.094 -0.135 0.000 1.018 97 V CA -0.697 61.532 62.300 -0.120 0.000 0.841 97 V CB 1.614 33.360 31.823 -0.129 0.000 0.991 97 V HN 0.275 nan 8.190 nan 0.000 0.437 98 V N 6.469 126.250 119.914 -0.221 0.000 2.448 98 V HA 0.476 4.590 4.120 -0.009 0.000 0.295 98 V C -0.124 175.853 176.094 -0.195 0.000 1.025 98 V CA -0.609 61.544 62.300 -0.244 0.000 0.859 98 V CB 1.766 33.281 31.823 -0.513 0.000 0.988 98 V HN 0.653 nan 8.190 nan 0.000 0.431 99 L N 3.909 125.049 121.223 -0.138 0.000 2.292 99 L HA 0.745 5.079 4.340 -0.009 0.000 0.284 99 L C 0.250 177.061 176.870 -0.099 0.000 1.065 99 L CA 0.271 55.043 54.840 -0.114 0.000 0.806 99 L CB 1.372 43.373 42.059 -0.096 0.000 1.175 99 L HN 0.717 nan 8.230 nan 0.000 0.431 100 S N 0.676 116.321 115.700 -0.091 0.000 2.543 100 S HA 0.307 4.772 4.470 -0.009 0.000 0.274 100 S C 0.303 174.869 174.600 -0.057 0.000 1.149 100 S CA -0.500 57.657 58.200 -0.072 0.000 0.866 100 S CB 2.033 65.180 63.200 -0.088 0.000 1.111 100 S HN 0.561 nan 8.310 nan 0.000 0.457 101 S N 1.269 116.944 115.700 -0.040 0.000 2.406 101 S HA -0.012 4.452 4.470 -0.009 0.000 0.224 101 S C 1.817 176.398 174.600 -0.030 0.000 1.030 101 S CA 1.608 59.789 58.200 -0.032 0.000 0.958 101 S CB -0.157 63.030 63.200 -0.022 0.000 0.811 101 S HN 0.917 nan 8.310 nan 0.000 0.489 102 T N -0.286 114.250 114.554 -0.029 0.000 3.045 102 T HA 0.345 4.689 4.350 -0.009 0.000 0.239 102 T C 0.632 175.313 174.700 -0.032 0.000 1.008 102 T CA -0.133 61.952 62.100 -0.024 0.000 1.143 102 T CB -0.498 68.362 68.868 -0.014 0.000 0.894 102 T HN 0.106 nan 8.240 nan 0.000 0.451 103 L N 3.958 125.155 121.223 -0.044 0.000 2.410 103 L HA 0.332 4.666 4.340 -0.009 0.000 0.273 103 L C 0.819 177.642 176.870 -0.078 0.000 1.144 103 L CA -0.559 54.246 54.840 -0.057 0.000 0.863 103 L CB 0.532 42.546 42.059 -0.074 0.000 1.140 103 L HN 0.433 nan 8.230 nan 0.000 0.463 104 T N -1.565 112.951 114.554 -0.064 0.000 2.902 104 T HA 0.206 4.550 4.350 -0.009 0.000 0.280 104 T C 1.229 175.878 174.700 -0.084 0.000 0.992 104 T CA -0.633 61.428 62.100 -0.064 0.000 1.015 104 T CB 1.444 70.288 68.868 -0.040 0.000 1.044 104 T HN 0.589 nan 8.240 nan 0.000 0.520 105 T N 0.758 115.265 114.554 -0.079 0.000 2.635 105 T HA -0.204 4.141 4.350 -0.009 0.000 0.267 105 T C 1.961 176.626 174.700 -0.058 0.000 1.040 105 T CA 1.864 63.913 62.100 -0.084 0.000 1.156 105 T CB -0.512 68.323 68.868 -0.055 0.000 0.863 105 T HN 0.713 nan 8.240 nan 0.000 0.430 106 Q N 0.706 120.486 119.800 -0.034 0.000 2.096 106 Q HA -0.171 4.164 4.340 -0.009 0.000 0.204 106 Q C 2.337 178.333 176.000 -0.007 0.000 0.982 106 Q CA 2.553 58.347 55.803 -0.015 0.000 0.850 106 Q CB -0.964 27.768 28.738 -0.010 0.000 0.901 106 Q HN 0.900 nan 8.270 nan 0.000 0.422 107 H N -0.243 118.820 119.070 -0.012 0.000 2.456 107 H HA 0.060 4.611 4.556 -0.009 0.000 0.296 107 H C 1.988 177.330 175.328 0.023 0.000 1.079 107 H CA 1.373 57.423 56.048 0.004 0.000 1.322 107 H CB -0.547 29.214 29.762 -0.002 0.000 1.388 107 H HN 0.356 nan 8.280 nan 0.000 0.538 108 L N -0.285 120.937 121.223 -0.002 0.000 2.217 108 L HA 0.033 4.367 4.340 -0.009 0.000 0.211 108 L C 1.265 178.210 176.870 0.126 0.000 1.107 108 L CA 0.228 55.091 54.840 0.038 0.000 0.783 108 L CB -0.120 41.839 42.059 -0.167 0.000 0.919 108 L HN 0.356 nan 8.230 nan 0.000 0.442 109 L N 1.356 122.620 121.223 0.069 0.000 3.461 109 L HA -0.053 4.282 4.340 -0.009 0.000 0.246 109 L C -0.516 176.404 176.870 0.083 0.000 1.454 109 L CA 0.423 55.311 54.840 0.080 0.000 1.091 109 L CB -1.068 41.016 42.059 0.042 0.000 1.512 109 L HN 0.220 nan 8.230 nan 0.000 0.444 124 S N 0.174 115.905 115.700 0.052 0.000 2.540 124 S HA 0.328 4.793 4.470 -0.009 0.000 0.218 124 S C 0.553 175.191 174.600 0.063 0.000 0.977 124 S CA -0.232 58.005 58.200 0.063 0.000 0.918 124 S CB 0.889 64.129 63.200 0.067 0.000 0.806 124 S HN 0.468 nan 8.310 nan 0.000 0.496 125 I N 1.468 122.061 120.570 0.038 0.000 2.644 125 I HA 0.468 4.633 4.170 -0.009 0.000 0.291 125 I C -2.092 173.995 176.117 -0.050 0.000 1.180 125 I CA -0.664 60.626 61.300 -0.018 0.000 1.040 125 I CB 1.999 39.982 38.000 -0.030 0.000 1.255 125 I HN -0.240 nan 8.210 nan 0.000 0.422 126 V N 6.199 126.056 119.914 -0.095 0.000 2.709 126 V HA 0.772 4.886 4.120 -0.009 0.000 0.308 126 V C 0.168 176.160 176.094 -0.169 0.000 1.062 126 V CA -0.696 61.548 62.300 -0.093 0.000 0.901 126 V CB 1.597 33.395 31.823 -0.042 0.000 1.003 126 V HN 0.882 nan 8.190 nan 0.000 0.425 127 A N 3.409 126.134 122.820 -0.158 0.000 2.301 127 A HA 0.844 5.158 4.320 -0.009 0.000 0.312 127 A C -0.651 176.855 177.584 -0.129 0.000 1.182 127 A CA -0.523 51.407 52.037 -0.178 0.000 0.826 127 A CB 1.253 20.147 19.000 -0.176 0.000 1.134 127 A HN 0.788 nan 8.150 nan 0.000 0.501 128 V N 2.965 122.799 119.914 -0.133 0.000 2.409 128 V HA 0.201 4.316 4.120 -0.009 0.000 0.291 128 V C 0.043 176.083 176.094 -0.090 0.000 1.020 128 V CA -0.716 61.520 62.300 -0.106 0.000 0.848 128 V CB 1.458 33.210 31.823 -0.118 0.000 0.990 128 V HN 0.931 nan 8.190 nan 0.000 0.430 129 N N 4.129 122.787 118.700 -0.070 0.000 2.605 129 N HA 0.539 5.274 4.740 -0.009 0.000 0.258 129 N C 0.080 175.560 175.510 -0.051 0.000 1.156 129 N CA 0.994 54.010 53.050 -0.056 0.000 1.008 129 N CB 0.197 38.658 38.487 -0.044 0.000 1.354 129 N HN 1.033 nan 8.380 nan 0.000 0.509 130 G N -0.251 108.515 108.800 -0.056 0.000 2.341 130 G HA2 0.371 4.325 3.960 -0.009 0.000 0.293 130 G HA3 0.371 4.325 3.960 -0.009 0.000 0.293 130 G C -0.307 174.556 174.900 -0.062 0.000 1.298 130 G CA -0.461 44.608 45.100 -0.052 0.000 0.868 130 G HN 0.550 nan 8.290 nan 0.000 0.540 131 G N -1.327 107.439 108.800 -0.057 0.000 2.535 131 G HA2 0.568 4.522 3.960 -0.009 0.000 0.282 131 G HA3 0.568 4.522 3.960 -0.009 0.000 0.282 131 G C 1.276 176.120 174.900 -0.095 0.000 1.350 131 G CA 0.266 45.327 45.100 -0.065 0.000 1.039 131 G HN 1.356 nan 8.290 nan 0.000 0.509 132 L N -0.503 120.652 121.223 -0.114 0.000 2.081 132 L HA -0.097 4.237 4.340 -0.009 0.000 0.212 132 L C 2.576 179.334 176.870 -0.186 0.000 1.080 132 L CA 2.717 57.449 54.840 -0.180 0.000 0.754 132 L CB -0.568 41.354 42.059 -0.228 0.000 0.893 132 L HN 0.850 nan 8.230 nan 0.000 0.433 133 E N -0.979 119.145 120.200 -0.127 0.000 2.086 133 E HA -0.341 4.003 4.350 -0.009 0.000 0.200 133 E C 2.118 178.662 176.600 -0.094 0.000 1.012 133 E CA 1.841 58.183 56.400 -0.096 0.000 0.812 133 E CB -0.066 29.606 29.700 -0.047 0.000 0.743 133 E HN 0.589 nan 8.360 nan 0.000 0.453 134 Q N -0.151 119.598 119.800 -0.085 0.000 2.167 134 Q HA -0.045 4.289 4.340 -0.009 0.000 0.202 134 Q C 1.835 177.773 176.000 -0.104 0.000 0.970 134 Q CA 1.490 57.247 55.803 -0.078 0.000 0.855 134 Q CB -0.257 28.442 28.738 -0.066 0.000 0.911 134 Q HN 0.394 nan 8.270 nan 0.000 0.438 135 A N 0.103 122.843 122.820 -0.133 0.000 1.898 135 A HA -0.112 4.202 4.320 -0.009 0.000 0.216 135 A C 1.967 179.448 177.584 -0.173 0.000 1.181 135 A CA 1.019 52.958 52.037 -0.164 0.000 0.620 135 A CB -0.597 18.297 19.000 -0.176 0.000 0.819 135 A HN 0.350 nan 8.150 nan 0.000 0.442 136 L N -0.945 120.177 121.223 -0.169 0.000 2.141 136 L HA -0.230 4.105 4.340 -0.009 0.000 0.209 136 L C 2.851 179.663 176.870 -0.097 0.000 1.094 136 L CA 1.327 56.081 54.840 -0.144 0.000 0.763 136 L CB -0.604 41.360 42.059 -0.160 0.000 0.908 136 L HN 0.495 nan 8.230 nan 0.000 0.437 137 Q N -0.161 119.588 119.800 -0.085 0.000 1.993 137 Q HA -0.257 4.078 4.340 -0.009 0.000 0.202 137 Q C 2.272 178.246 176.000 -0.044 0.000 0.984 137 Q CA 1.594 57.365 55.803 -0.053 0.000 0.837 137 Q CB -0.324 28.389 28.738 -0.041 0.000 0.902 137 Q HN 0.308 nan 8.270 nan 0.000 0.423 138 L N 0.627 121.804 121.223 -0.076 0.000 2.043 138 L HA -0.204 4.131 4.340 -0.009 0.000 0.212 138 L C 1.862 178.662 176.870 -0.116 0.000 1.075 138 L CA 1.677 56.467 54.840 -0.084 0.000 0.752 138 L CB -0.233 41.727 42.059 -0.165 0.000 0.891 138 L HN 0.202 nan 8.230 nan 0.000 0.432 139 L N -0.863 120.243 121.223 -0.195 0.000 2.552 139 L HA 0.015 4.350 4.340 -0.009 0.000 0.227 139 L C 2.115 178.993 176.870 0.013 0.000 1.146 139 L CA 0.592 55.327 54.840 -0.175 0.000 0.858 139 L CB -0.550 41.395 42.059 -0.190 0.000 0.969 139 L HN 0.343 nan 8.230 nan 0.000 0.451 140 A N -0.868 121.964 122.820 0.018 0.000 2.348 140 A HA 0.134 4.448 4.320 -0.009 0.000 0.224 140 A C 1.237 178.864 177.584 0.071 0.000 1.227 140 A CA 0.105 52.167 52.037 0.041 0.000 0.885 140 A CB -0.099 18.906 19.000 0.008 0.000 0.933 140 A HN 0.343 nan 8.150 nan 0.000 0.506 141 S N 0.311 116.077 115.700 0.111 0.000 2.585 141 S HA 0.267 4.731 4.470 -0.009 0.000 0.273 141 S C -1.333 173.335 174.600 0.114 0.000 1.339 141 S CA -0.652 57.620 58.200 0.119 0.000 1.028 141 S CB 0.675 63.966 63.200 0.152 0.000 0.906 141 S HN 0.166 nan 8.310 nan 0.000 0.528 142 P HA -0.081 nan 4.420 nan 0.000 0.221 142 P C 0.481 177.777 177.300 -0.007 0.000 1.145 142 P CA 1.103 64.223 63.100 0.034 0.000 0.795 142 P CB -0.268 31.446 31.700 0.024 0.000 0.775 143 N N -1.561 117.108 118.700 -0.051 0.000 2.459 143 N HA -0.101 4.633 4.740 -0.009 0.000 0.181 143 N C 1.092 176.390 175.510 -0.354 0.000 1.046 143 N CA 1.003 53.913 53.050 -0.234 0.000 0.904 143 N CB -0.477 37.785 38.487 -0.374 0.000 0.964 143 N HN 0.300 nan 8.380 nan 0.000 0.444 144 Y N -1.419 118.883 120.300 0.004 0.000 2.526 144 Y HA 0.122 4.667 4.550 -0.010 0.000 0.265 144 Y C 2.335 178.240 175.900 0.008 0.000 1.092 144 Y CA 0.583 58.686 58.100 0.004 0.000 1.277 144 Y CB -0.335 38.124 38.460 -0.001 0.000 1.228 144 Y HN 0.067 nan 8.280 nan 0.000 0.507 145 T N -1.942 112.698 114.554 0.144 0.000 2.867 145 T HA -0.064 4.280 4.350 -0.009 0.000 0.268 145 T C -0.514 174.224 174.700 0.064 0.000 1.057 145 T CA 0.875 63.031 62.100 0.092 0.000 1.136 145 T CB -1.429 67.480 68.868 0.068 0.000 0.874 145 T HN 0.088 nan 8.240 nan 0.000 0.466 146 P HA 0.005 nan 4.420 nan 0.000 0.218 146 P C 1.787 179.109 177.300 0.037 0.000 1.149 146 P CA 1.336 64.457 63.100 0.034 0.000 0.817 146 P CB -0.130 31.580 31.700 0.016 0.000 0.785 147 S N -1.974 113.755 115.700 0.047 0.000 2.499 147 S HA 0.130 4.594 4.470 -0.009 0.000 0.225 147 S C 0.750 175.393 174.600 0.071 0.000 1.050 147 S CA -0.012 58.218 58.200 0.051 0.000 0.928 147 S CB -0.530 62.694 63.200 0.040 0.000 0.803 147 S HN -0.082 nan 8.310 nan 0.000 0.506 148 I N 2.705 123.334 120.570 0.098 0.000 2.291 148 I HA 0.336 4.501 4.170 -0.009 0.000 0.292 148 I C 1.233 177.386 176.117 0.059 0.000 1.064 148 I CA -0.133 61.220 61.300 0.089 0.000 1.269 148 I CB 1.110 39.174 38.000 0.108 0.000 1.418 148 I HN 0.230 nan 8.210 nan 0.000 0.485 149 E N 3.110 123.338 120.200 0.047 0.000 2.021 149 E HA 0.006 4.350 4.350 -0.009 0.000 0.189 149 E C -0.109 176.497 176.600 0.010 0.000 0.980 149 E CA 0.938 57.357 56.400 0.031 0.000 0.803 149 E CB 0.439 30.157 29.700 0.030 0.000 0.766 149 E HN 0.597 nan 8.360 nan 0.000 0.449 150 T N 0.770 115.323 114.554 -0.002 0.000 2.861 150 T HA 0.446 4.790 4.350 -0.009 0.000 0.287 150 T C -0.830 173.780 174.700 -0.149 0.000 1.003 150 T CA -0.716 61.319 62.100 -0.110 0.000 0.977 150 T CB 2.267 71.037 68.868 -0.163 0.000 0.996 150 T HN -0.139 nan 8.240 nan 0.000 0.448 151 V N 3.361 123.154 119.914 -0.201 0.000 2.427 151 V HA 0.449 4.563 4.120 -0.009 0.000 0.286 151 V C -1.201 174.774 176.094 -0.198 0.000 1.034 151 V CA -0.785 61.459 62.300 -0.094 0.000 0.893 151 V CB 0.598 32.429 31.823 0.014 0.000 0.982 151 V HN 0.811 nan 8.190 nan 0.000 0.452 152 Y N 2.617 122.994 120.300 0.129 0.000 2.328 152 Y HA 0.411 4.955 4.550 -0.010 0.000 0.336 152 Y C 0.356 176.370 175.900 0.190 0.000 0.960 152 Y CA -0.512 57.692 58.100 0.174 0.000 1.134 152 Y CB 1.674 40.183 38.460 0.082 0.000 1.166 152 Y HN 0.681 nan 8.280 nan 0.000 0.464 153 C N 7.150 126.709 119.300 0.432 0.000 2.442 153 C HA 0.385 4.840 4.460 -0.009 0.000 0.362 153 C C 1.400 176.581 174.990 0.319 0.000 1.242 153 C CA -0.564 58.635 59.018 0.301 0.000 1.741 153 C CB -2.125 25.840 27.740 0.374 0.000 2.378 153 C HN 0.931 nan 8.230 nan 0.000 0.549 154 I N 4.505 125.195 120.570 0.199 0.000 3.976 154 I HA 0.569 4.733 4.170 -0.009 0.000 0.337 154 I C 0.844 176.941 176.117 -0.032 0.000 1.359 154 I CA 0.530 61.969 61.300 0.231 0.000 1.098 154 I CB -0.421 37.816 38.000 0.394 0.000 1.027 154 I HN 0.867 nan 8.210 nan 0.000 0.394 155 G N 0.531 109.114 108.800 -0.362 0.000 2.318 155 G HA2 0.373 4.327 3.960 -0.009 0.000 0.367 155 G HA3 0.373 4.327 3.960 -0.009 0.000 0.367 155 G C -0.100 174.405 174.900 -0.657 0.000 1.260 155 G CA -0.080 44.428 45.100 -0.987 0.000 1.055 155 G HN 1.411 nan 8.290 nan 0.000 0.484 156 G N -1.822 106.634 108.800 -0.573 0.000 3.209 156 G HA2 0.453 4.408 3.960 -0.009 0.000 0.686 156 G HA3 0.453 4.408 3.960 -0.009 0.000 0.686 156 G C 1.362 176.064 174.900 -0.329 0.000 1.065 156 G CA 0.791 45.694 45.100 -0.329 0.000 0.812 156 G HN 2.355 nan 8.290 nan 0.000 0.573 157 G N 1.309 110.076 108.800 -0.055 0.000 2.469 157 G HA2 -0.009 3.945 3.960 -0.009 0.000 0.219 157 G HA3 -0.009 3.945 3.960 -0.009 0.000 0.219 157 G C 2.390 177.356 174.900 0.110 0.000 1.150 157 G CA 2.418 47.598 45.100 0.134 0.000 0.763 157 G HN 2.226 nan 8.290 nan 0.000 0.561 158 S N 0.159 115.875 115.700 0.026 0.000 2.382 158 S HA -0.102 4.363 4.470 -0.009 0.000 0.228 158 S C 2.285 176.892 174.600 0.011 0.000 1.027 158 S CA 1.647 59.864 58.200 0.028 0.000 0.991 158 S CB -0.430 62.770 63.200 0.000 0.000 0.823 158 S HN 0.156 nan 8.310 nan 0.000 0.469 159 V N 0.273 120.141 119.914 -0.077 0.000 2.407 159 V HA -0.056 4.058 4.120 -0.009 0.000 0.245 159 V C 2.363 178.457 176.094 -0.000 0.000 1.041 159 V CA 1.394 63.631 62.300 -0.106 0.000 1.040 159 V CB -1.215 30.474 31.823 -0.223 0.000 0.671 159 V HN 0.404 nan 8.190 nan 0.000 0.455 160 Y N 1.213 121.535 120.300 0.038 0.000 2.165 160 Y HA -0.174 4.370 4.550 -0.010 0.000 0.286 160 Y C 2.612 178.642 175.900 0.216 0.000 1.155 160 Y CA 0.942 59.090 58.100 0.079 0.000 1.164 160 Y CB -1.309 37.137 38.460 -0.023 0.000 0.978 160 Y HN 0.201 nan 8.280 nan 0.000 0.513 161 A N -0.247 122.776 122.820 0.338 0.000 1.898 161 A HA -0.219 4.096 4.320 -0.009 0.000 0.216 161 A C 2.254 179.950 177.584 0.186 0.000 1.181 161 A CA 1.731 53.917 52.037 0.250 0.000 0.620 161 A CB -0.699 18.410 19.000 0.183 0.000 0.819 161 A HN 0.505 nan 8.150 nan 0.000 0.442 162 E N -0.189 120.096 120.200 0.141 0.000 2.150 162 E HA -0.094 4.251 4.350 -0.009 0.000 0.193 162 E C 2.087 178.773 176.600 0.144 0.000 0.985 162 E CA 0.819 57.280 56.400 0.101 0.000 0.814 162 E CB -0.208 29.515 29.700 0.039 0.000 0.752 162 E HN 0.548 nan 8.360 nan 0.000 0.466 163 A N 0.785 123.733 122.820 0.213 0.000 1.972 163 A HA -0.112 4.202 4.320 -0.009 0.000 0.219 163 A C 1.870 179.676 177.584 0.369 0.000 1.169 163 A CA 0.803 53.059 52.037 0.365 0.000 0.635 163 A CB -0.119 19.181 19.000 0.500 0.000 0.810 163 A HN 0.285 nan 8.150 nan 0.000 0.446 164 L N -0.509 120.889 121.223 0.292 0.000 2.628 164 L HA 0.174 4.508 4.340 -0.009 0.000 0.229 164 L C 0.882 177.844 176.870 0.154 0.000 1.137 164 L CA 0.483 55.463 54.840 0.234 0.000 0.909 164 L CB -0.976 41.212 42.059 0.215 0.000 1.137 164 L HN 0.622 nan 8.230 nan 0.000 0.470 165 R N -0.926 119.656 120.500 0.136 0.000 2.854 165 R HA 0.636 4.970 4.340 -0.009 0.000 0.271 165 R C -2.870 173.475 176.300 0.074 0.000 0.994 165 R CA -1.949 54.205 56.100 0.089 0.000 0.945 165 R CB 0.763 31.116 30.300 0.089 0.000 1.194 165 R HN -0.246 nan 8.270 nan 0.000 0.476 166 P HA 0.081 nan 4.420 nan 0.000 0.269 166 P C -1.866 175.505 177.300 0.118 0.000 1.209 166 P CA -0.991 62.183 63.100 0.123 0.000 0.776 166 P CB 0.413 32.234 31.700 0.203 0.000 0.876 167 P HA 0.058 nan 4.420 nan 0.000 0.240 167 P C 0.539 177.956 177.300 0.195 0.000 1.190 167 P CA 0.474 63.691 63.100 0.196 0.000 0.781 167 P CB -0.131 31.647 31.700 0.130 0.000 0.931 168 C N -0.262 119.128 119.300 0.150 0.000 2.429 168 C HA -0.085 4.369 4.460 -0.009 0.000 0.277 168 C C 2.790 177.988 174.990 0.346 0.000 1.262 168 C CA 0.669 59.820 59.018 0.222 0.000 1.733 168 C CB -1.627 26.199 27.740 0.143 0.000 2.010 168 C HN 0.133 nan 8.230 nan 0.000 0.483 169 V N 0.777 120.796 119.914 0.176 0.000 2.568 169 V HA -0.210 3.904 4.120 -0.009 0.000 0.253 169 V C 2.389 178.483 176.094 0.000 0.000 1.072 169 V CA 1.963 64.325 62.300 0.103 0.000 1.084 169 V CB -0.752 31.071 31.823 -0.000 0.000 0.676 169 V HN 0.632 nan 8.190 nan 0.000 0.469 170 H N -1.083 118.098 119.070 0.185 0.000 2.524 170 H HA 0.079 4.629 4.556 -0.010 0.000 0.282 170 H C 1.873 177.301 175.328 0.166 0.000 1.016 170 H CA 0.865 56.998 56.048 0.142 0.000 1.270 170 H CB 0.180 30.028 29.762 0.143 0.000 1.394 170 H HN 0.322 nan 8.280 nan 0.000 0.568 171 L N 0.801 122.194 121.223 0.283 0.000 2.558 171 L HA 0.033 4.367 4.340 -0.009 0.000 0.225 171 L C 0.613 177.520 176.870 0.061 0.000 1.128 171 L CA 0.087 55.081 54.840 0.257 0.000 0.868 171 L CB -0.614 41.642 42.059 0.328 0.000 1.006 171 L HN 0.108 nan 8.230 nan 0.000 0.454 172 L N 1.480 122.641 121.223 -0.104 0.000 2.407 172 L HA 0.033 4.367 4.340 -0.009 0.000 0.282 172 L C 1.492 178.289 176.870 -0.122 0.000 1.110 172 L CA 0.534 55.104 54.840 -0.450 0.000 0.863 172 L CB 0.776 42.702 42.059 -0.222 0.000 1.207 172 L HN 0.327 nan 8.230 nan 0.000 0.454 173 Q N 4.531 124.241 119.800 -0.150 0.000 2.302 173 Q HA 0.410 4.745 4.340 -0.009 0.000 0.202 173 Q C 0.192 176.211 176.000 0.031 0.000 0.936 173 Q CA 0.569 56.351 55.803 -0.035 0.000 0.886 173 Q CB 0.269 28.994 28.738 -0.022 0.000 0.986 173 Q HN 0.644 nan 8.270 nan 0.000 0.487 174 A N 0.663 123.517 122.820 0.056 0.000 2.594 174 A HA 0.634 4.948 4.320 -0.009 0.000 0.296 174 A C -1.657 175.942 177.584 0.024 0.000 1.061 174 A CA -0.812 51.257 52.037 0.054 0.000 0.689 174 A CB 1.244 20.205 19.000 -0.064 0.000 1.280 174 A HN 0.245 nan 8.150 nan 0.000 0.406 175 I N 1.477 122.002 120.570 -0.075 0.000 2.406 175 I HA 0.371 4.536 4.170 -0.009 0.000 0.290 175 I C -1.462 174.574 176.117 -0.135 0.000 0.999 175 I CA -0.456 60.796 61.300 -0.081 0.000 1.124 175 I CB 1.627 39.490 38.000 -0.227 0.000 1.289 175 I HN 0.635 nan 8.210 nan 0.000 0.441 176 Y N 5.662 126.065 120.300 0.172 0.000 2.417 176 Y HA 0.463 5.007 4.550 -0.010 0.000 0.336 176 Y C 0.224 176.258 175.900 0.223 0.000 0.961 176 Y CA -0.550 57.705 58.100 0.258 0.000 1.215 176 Y CB 0.927 39.613 38.460 0.378 0.000 1.120 176 Y HN 0.435 nan 8.280 nan 0.000 0.499 177 R N 1.974 122.631 120.500 0.261 0.000 2.387 177 R HA 0.507 4.842 4.340 -0.009 0.000 0.314 177 R C -1.034 175.338 176.300 0.119 0.000 0.958 177 R CA -0.426 55.770 56.100 0.160 0.000 0.846 177 R CB 0.941 31.293 30.300 0.085 0.000 1.147 177 R HN 0.563 nan 8.270 nan 0.000 0.447 178 T N 3.128 117.740 114.554 0.098 0.000 2.767 178 T HA 0.207 4.552 4.350 -0.009 0.000 0.288 178 T C -0.342 174.206 174.700 -0.254 0.000 0.963 178 T CA -0.190 61.867 62.100 -0.072 0.000 1.019 178 T CB 1.463 70.368 68.868 0.061 0.000 0.923 178 T HN 0.454 nan 8.240 nan 0.000 0.468 179 T N 4.898 119.109 114.554 -0.573 0.000 2.749 179 T HA 0.384 4.728 4.350 -0.009 0.000 0.287 179 T C 0.155 174.492 174.700 -0.604 0.000 0.970 179 T CA -0.643 61.075 62.100 -0.637 0.000 0.980 179 T CB 0.223 68.512 68.868 -0.965 0.000 0.924 179 T HN 0.341 nan 8.240 nan 0.000 0.456 180 I N 3.957 124.190 120.570 -0.562 0.000 2.304 180 I HA 0.253 4.417 4.170 -0.009 0.000 0.291 180 I C 0.890 176.728 176.117 -0.466 0.000 1.018 180 I CA -0.568 60.345 61.300 -0.644 0.000 1.260 180 I CB 0.772 37.990 38.000 -1.304 0.000 1.390 180 I HN 0.414 nan 8.210 nan 0.000 0.475 181 R N 5.250 125.579 120.500 -0.285 0.000 3.247 181 R HA 0.470 4.805 4.340 -0.009 0.000 0.212 181 R C -0.019 176.188 176.300 -0.154 0.000 1.604 181 R CA -0.045 55.958 56.100 -0.160 0.000 1.279 181 R CB 0.112 30.371 30.300 -0.069 0.000 1.277 181 R HN 0.718 nan 8.270 nan 0.000 0.669 185 S N -0.663 115.087 115.700 0.082 0.000 2.496 185 S HA -0.068 4.396 4.470 -0.009 0.000 0.224 185 S C 2.095 176.740 174.600 0.074 0.000 0.996 185 S CA 1.436 59.687 58.200 0.084 0.000 0.927 185 S CB -0.194 63.044 63.200 0.063 0.000 0.774 185 S HN 1.420 nan 8.310 nan 0.000 0.524 186 S N 0.281 116.010 115.700 0.048 0.000 2.481 186 S HA 0.083 4.548 4.470 -0.009 0.000 0.231 186 S C 0.858 175.447 174.600 -0.018 0.000 0.996 186 S CA -0.100 58.110 58.200 0.016 0.000 0.942 186 S CB -1.319 61.880 63.200 -0.003 0.000 0.768 186 S HN 0.546 nan 8.310 nan 0.000 0.520 187 C N 3.844 123.124 119.300 -0.033 0.000 2.638 187 C HA 0.375 4.829 4.460 -0.009 0.000 0.410 187 C C 1.872 176.708 174.990 -0.257 0.000 1.404 187 C CA 0.290 59.190 59.018 -0.198 0.000 1.651 187 C CB -0.607 26.979 27.740 -0.255 0.000 2.495 187 C HN 0.743 nan 8.230 nan 0.000 0.606 188 S N 1.453 116.980 115.700 -0.288 0.000 2.603 188 S HA 0.238 4.703 4.470 -0.009 0.000 0.232 188 S C -0.156 174.337 174.600 -0.178 0.000 1.016 188 S CA -0.158 57.978 58.200 -0.106 0.000 0.976 188 S CB 0.016 63.217 63.200 0.001 0.000 0.921 188 S HN 0.484 nan 8.310 nan 0.000 0.516 189 V N 2.171 121.807 119.914 -0.464 0.000 2.495 189 V HA 0.671 4.785 4.120 -0.009 0.000 0.298 189 V C -1.157 174.648 176.094 -0.482 0.000 1.031 189 V CA -0.723 61.423 62.300 -0.256 0.000 0.871 189 V CB 1.059 32.817 31.823 -0.108 0.000 0.988 189 V HN 0.378 nan 8.190 nan 0.000 0.432 190 F N 3.685 123.712 119.950 0.128 0.000 2.588 190 F HA 0.761 5.282 4.527 -0.009 0.000 0.314 190 F C -0.710 175.226 175.800 0.227 0.000 1.069 190 F CA -0.789 57.298 58.000 0.145 0.000 0.931 190 F CB 2.259 41.309 39.000 0.083 0.000 1.260 190 F HN 0.461 nan 8.300 nan 0.000 0.465 191 F N 2.233 122.309 119.950 0.209 0.000 2.573 191 F HA 0.716 5.237 4.527 -0.009 0.000 0.316 191 F C -1.276 174.538 175.800 0.023 0.000 1.148 191 F CA -0.651 57.392 58.000 0.071 0.000 0.940 191 F CB 1.456 40.407 39.000 -0.082 0.000 1.214 191 F HN 0.459 nan 8.300 nan 0.000 0.448 192 R N 4.481 124.487 120.500 -0.824 0.000 2.574 192 R HA 0.603 4.938 4.340 -0.009 0.000 0.288 192 R C -1.663 174.097 176.300 -0.900 0.000 1.004 192 R CA -1.043 54.631 56.100 -0.710 0.000 0.895 192 R CB 2.464 32.587 30.300 -0.295 0.000 1.191 192 R HN 0.497 nan 8.270 nan 0.000 0.444 193 V N 4.990 124.462 119.914 -0.737 0.000 2.439 193 V HA 0.170 4.284 4.120 -0.009 0.000 0.271 193 V C -1.891 174.008 176.094 -0.324 0.000 1.040 193 V CA -1.336 60.620 62.300 -0.573 0.000 1.002 193 V CB 0.626 32.157 31.823 -0.487 0.000 1.000 193 V HN 0.651 nan 8.190 nan 0.000 0.477 194 P HA 0.217 nan 4.420 nan 0.000 0.271 194 P C -0.032 177.294 177.300 0.043 0.000 1.220 194 P CA -0.216 62.851 63.100 -0.055 0.000 0.768 194 P CB 0.497 32.214 31.700 0.028 0.000 0.848 195 E N 0.686 120.904 120.200 0.030 0.000 2.408 195 E HA 0.126 4.471 4.350 -0.009 0.000 0.259 195 E C 0.273 176.933 176.600 0.099 0.000 1.110 195 E CA -0.219 56.219 56.400 0.063 0.000 0.929 195 E CB 0.413 30.129 29.700 0.026 0.000 0.971 195 E HN 0.316 nan 8.360 nan 0.000 0.438 196 S N 0.571 116.333 115.700 0.102 0.000 2.533 196 S HA 0.285 4.750 4.470 -0.009 0.000 0.282 196 S C 1.052 175.680 174.600 0.046 0.000 1.304 196 S CA 0.745 58.993 58.200 0.080 0.000 1.063 196 S CB 0.066 63.303 63.200 0.061 0.000 0.881 196 S HN 0.759 nan 8.310 nan 0.000 0.493 197 G N 3.109 111.931 108.800 0.037 0.000 2.268 197 G HA2 -0.284 3.671 3.960 -0.009 0.000 0.240 197 G HA3 -0.284 3.671 3.960 -0.009 0.000 0.240 197 G C 0.382 175.299 174.900 0.028 0.000 1.010 197 G CA 0.523 45.638 45.100 0.025 0.000 0.618 197 G HN 1.434 nan 8.290 nan 0.000 0.516 198 T N -0.751 113.824 114.554 0.036 0.000 2.860 198 T HA 0.533 4.877 4.350 -0.009 0.000 0.299 198 T C 1.256 175.977 174.700 0.035 0.000 1.045 198 T CA 0.859 62.977 62.100 0.030 0.000 1.071 198 T CB 1.322 70.206 68.868 0.026 0.000 0.985 198 T HN 0.259 nan 8.240 nan 0.000 0.537 199 E N 1.485 121.701 120.200 0.028 0.000 2.077 199 E HA -0.012 4.332 4.350 -0.009 0.000 0.193 199 E C 2.382 179.006 176.600 0.040 0.000 0.989 199 E CA 1.508 57.926 56.400 0.031 0.000 0.800 199 E CB -0.776 28.938 29.700 0.023 0.000 0.746 199 E HN 0.820 nan 8.360 nan 0.000 0.452 200 A N 0.861 123.702 122.820 0.036 0.000 2.121 200 A HA 0.037 4.351 4.320 -0.009 0.000 0.218 200 A C 2.243 179.869 177.584 0.071 0.000 1.154 200 A CA 1.335 53.398 52.037 0.042 0.000 0.679 200 A CB -0.559 18.452 19.000 0.018 0.000 0.795 200 A HN 0.264 nan 8.150 nan 0.000 0.458 201 A N -1.255 121.618 122.820 0.089 0.000 2.168 201 A HA 0.386 4.701 4.320 -0.009 0.000 0.215 201 A C 1.642 179.297 177.584 0.117 0.000 1.152 201 A CA 1.243 53.367 52.037 0.146 0.000 0.716 201 A CB -0.856 18.237 19.000 0.155 0.000 0.794 201 A HN 1.992 nan 8.150 nan 0.000 0.465 202 A N -2.704 120.169 122.820 0.088 0.000 2.822 202 A HA 0.147 4.462 4.320 -0.009 0.000 0.287 202 A C 1.966 179.611 177.584 0.101 0.000 1.479 202 A CA 1.530 53.621 52.037 0.092 0.000 0.779 202 A CB -1.923 17.130 19.000 0.089 0.000 1.022 202 A HN 2.523 nan 8.150 nan 0.000 0.532 203 G N -2.589 106.250 108.800 0.066 0.000 2.217 203 G HA2 -0.236 3.718 3.960 -0.009 0.000 0.246 203 G HA3 -0.236 3.718 3.960 -0.009 0.000 0.246 203 G C 0.219 175.116 174.900 -0.004 0.000 0.990 203 G CA 0.338 45.464 45.100 0.043 0.000 0.627 203 G HN 1.458 nan 8.290 nan 0.000 0.522 204 I N 1.486 122.034 120.570 -0.035 0.000 2.474 204 I HA 0.321 4.486 4.170 -0.009 0.000 0.287 204 I C 0.347 176.315 176.117 -0.249 0.000 1.048 204 I CA -0.093 61.081 61.300 -0.211 0.000 1.383 204 I CB 1.063 38.854 38.000 -0.347 0.000 1.412 204 I HN 0.105 nan 8.210 nan 0.000 0.531 205 E N 5.923 125.945 120.200 -0.298 0.000 2.103 205 E HA 0.159 4.504 4.350 -0.009 0.000 0.254 205 E C -1.415 175.064 176.600 -0.203 0.000 0.940 205 E CA -0.460 55.838 56.400 -0.170 0.000 0.771 205 E CB 0.576 30.218 29.700 -0.098 0.000 1.153 205 E HN 0.393 nan 8.360 nan 0.000 0.428 206 W N 2.424 123.718 121.300 -0.009 0.000 2.253 206 W HA 0.094 4.748 4.660 -0.010 0.000 0.322 206 W C 0.668 177.180 176.519 -0.011 0.000 1.342 206 W CA -0.133 57.204 57.345 -0.013 0.000 1.218 206 W CB 0.645 30.096 29.460 -0.014 0.000 1.205 206 W HN 0.234 nan 8.180 nan 0.000 0.551 207 Q N 2.599 122.550 119.800 0.252 0.000 2.372 207 Q HA 0.308 4.643 4.340 -0.009 0.000 0.273 207 Q C -0.580 175.501 176.000 0.135 0.000 1.078 207 Q CA -1.431 54.456 55.803 0.140 0.000 0.806 207 Q CB 2.707 31.485 28.738 0.068 0.000 1.332 207 Q HN 0.437 nan 8.270 nan 0.000 0.435 208 R N 1.850 122.407 120.500 0.095 0.000 2.370 208 R HA -0.008 4.326 4.340 -0.009 0.000 0.309 208 R C 0.676 177.016 176.300 0.066 0.000 1.059 208 R CA 0.465 56.611 56.100 0.077 0.000 0.981 208 R CB 0.532 30.868 30.300 0.060 0.000 0.972 208 R HN 0.780 nan 8.270 nan 0.000 0.437 209 E N 2.178 122.417 120.200 0.065 0.000 2.099 209 E HA -0.014 4.330 4.350 -0.009 0.000 0.191 209 E C -0.279 176.362 176.600 0.068 0.000 0.962 209 E CA 0.962 57.400 56.400 0.063 0.000 0.826 209 E CB 0.460 30.195 29.700 0.058 0.000 0.788 209 E HN 0.753 nan 8.360 nan 0.000 0.461 210 T N -1.294 113.306 114.554 0.076 0.000 2.903 210 T HA 0.628 4.972 4.350 -0.009 0.000 0.299 210 T C -0.573 174.185 174.700 0.098 0.000 1.093 210 T CA -0.868 61.286 62.100 0.089 0.000 1.002 210 T CB 2.044 70.980 68.868 0.115 0.000 1.127 210 T HN 0.119 nan 8.240 nan 0.000 0.488 211 I N 1.994 122.616 120.570 0.087 0.000 2.619 211 I HA 0.547 4.711 4.170 -0.009 0.000 0.292 211 I C 0.070 176.237 176.117 0.083 0.000 1.100 211 I CA -0.629 60.727 61.300 0.094 0.000 1.043 211 I CB 2.214 40.238 38.000 0.039 0.000 1.239 211 I HN 1.076 nan 8.210 nan 0.000 0.420 212 S N 4.884 120.658 115.700 0.124 0.000 2.645 212 S HA 0.361 4.825 4.470 -0.009 0.000 0.266 212 S C -0.125 174.473 174.600 -0.003 0.000 1.258 212 S CA -0.653 57.607 58.200 0.100 0.000 0.990 212 S CB 0.943 64.260 63.200 0.195 0.000 0.967 212 S HN 0.709 nan 8.310 nan 0.000 0.556 213 E N -0.128 120.056 120.200 -0.028 0.000 2.392 213 E HA 0.166 4.510 4.350 -0.009 0.000 0.259 213 E C -0.366 176.140 176.600 -0.156 0.000 1.108 213 E CA -0.652 55.692 56.400 -0.093 0.000 0.916 213 E CB 0.328 29.987 29.700 -0.068 0.000 0.989 213 E HN 0.748 nan 8.360 nan 0.000 0.432 214 E N 1.955 122.039 120.200 -0.194 0.000 2.217 214 E HA 0.170 4.514 4.350 -0.009 0.000 0.279 214 E C -0.941 175.498 176.600 -0.267 0.000 1.068 214 E CA -0.234 56.031 56.400 -0.225 0.000 0.882 214 E CB 0.441 30.024 29.700 -0.196 0.000 1.039 214 E HN 0.373 nan 8.360 nan 0.000 0.418 215 L N 2.967 123.898 121.223 -0.486 0.000 2.313 215 L HA 0.499 4.834 4.340 -0.009 0.000 0.268 215 L C 0.320 176.947 176.870 -0.406 0.000 1.010 215 L CA -1.015 53.535 54.840 -0.483 0.000 0.814 215 L CB 1.994 43.681 42.059 -0.620 0.000 1.304 215 L HN 0.524 nan 8.230 nan 0.000 0.441 216 T N -1.416 113.070 114.554 -0.114 0.000 2.823 216 T HA 0.379 4.723 4.350 -0.009 0.000 0.279 216 T C -0.229 174.605 174.700 0.223 0.000 0.998 216 T CA -0.521 61.608 62.100 0.049 0.000 0.994 216 T CB 1.716 70.595 68.868 0.018 0.000 0.960 216 T HN 0.520 nan 8.240 nan 0.000 0.448 217 S N 2.089 117.942 115.700 0.254 0.000 2.592 217 S HA 0.536 5.000 4.470 -0.009 0.000 0.271 217 S C 0.933 175.585 174.600 0.088 0.000 1.326 217 S CA -0.341 57.961 58.200 0.170 0.000 1.024 217 S CB 0.141 63.363 63.200 0.037 0.000 0.921 217 S HN 1.121 nan 8.310 nan 0.000 0.527 218 A N 3.725 126.584 122.820 0.065 0.000 3.105 218 A HA 0.219 4.533 4.320 -0.009 0.000 0.272 218 A C 0.928 178.530 177.584 0.030 0.000 1.466 218 A CA -0.399 51.665 52.037 0.046 0.000 1.101 218 A CB -0.896 18.132 19.000 0.047 0.000 1.065 218 A HN 0.842 nan 8.150 nan 0.000 0.643 219 N N -1.076 117.640 118.700 0.026 0.000 2.205 219 N HA 0.237 4.971 4.740 -0.009 0.000 0.201 219 N C 1.016 176.539 175.510 0.023 0.000 1.128 219 N CA 0.930 53.992 53.050 0.021 0.000 0.867 219 N CB 0.305 38.803 38.487 0.018 0.000 0.996 219 N HN 0.657 nan 8.380 nan 0.000 0.503 220 G N 0.718 109.531 108.800 0.023 0.000 2.313 220 G HA2 -0.282 3.672 3.960 -0.009 0.000 0.215 220 G HA3 -0.282 3.672 3.960 -0.009 0.000 0.215 220 G C 0.809 175.720 174.900 0.019 0.000 1.023 220 G CA 0.119 45.231 45.100 0.020 0.000 0.626 220 G HN 0.372 nan 8.290 nan 0.000 0.503 221 N N 1.396 120.108 118.700 0.020 0.000 2.336 221 N HA 0.207 4.942 4.740 -0.009 0.000 0.189 221 N C 0.673 176.192 175.510 0.014 0.000 1.113 221 N CA 0.800 53.860 53.050 0.016 0.000 0.858 221 N CB -0.027 38.470 38.487 0.018 0.000 0.970 221 N HN 0.670 nan 8.380 nan 0.000 0.471 222 E N 0.233 120.445 120.200 0.021 0.000 2.269 222 E HA -0.172 4.172 4.350 -0.009 0.000 0.223 222 E C -0.854 175.761 176.600 0.025 0.000 1.244 222 E CA 0.377 56.793 56.400 0.026 0.000 0.713 222 E CB -1.606 28.105 29.700 0.018 0.000 1.178 222 E HN 0.225 nan 8.360 nan 0.000 0.370 223 T N 1.812 116.381 114.554 0.024 0.000 2.853 223 T HA 0.077 4.421 4.350 -0.009 0.000 0.298 223 T C 0.508 175.242 174.700 0.056 0.000 0.978 223 T CA -0.257 61.846 62.100 0.004 0.000 1.152 223 T CB 0.757 69.599 68.868 -0.043 0.000 0.914 223 T HN 0.004 nan 8.240 nan 0.000 0.539 224 K N 3.024 123.430 120.400 0.010 0.000 2.237 224 K HA 0.367 4.682 4.320 -0.009 0.000 0.270 224 K C -0.361 176.249 176.600 0.016 0.000 1.015 224 K CA -0.316 55.969 56.287 -0.003 0.000 0.949 224 K CB 0.758 33.236 32.500 -0.037 0.000 0.976 224 K HN 0.819 nan 8.250 nan 0.000 0.472 225 Y N -0.521 119.674 120.300 -0.174 0.000 2.592 225 Y HA 0.578 5.122 4.550 -0.010 0.000 0.334 225 Y C -1.391 174.329 175.900 -0.300 0.000 1.136 225 Y CA -1.642 56.254 58.100 -0.340 0.000 1.042 225 Y CB 0.906 39.100 38.460 -0.443 0.000 1.325 225 Y HN 0.607 nan 8.280 nan 0.000 0.457 226 Y N -0.246 119.762 120.300 -0.487 0.000 2.625 226 Y HA 0.855 5.399 4.550 -0.010 0.000 0.338 226 Y C -2.258 173.279 175.900 -0.605 0.000 1.123 226 Y CA -2.579 55.171 58.100 -0.584 0.000 1.046 226 Y CB 1.303 39.564 38.460 -0.332 0.000 1.299 226 Y HN 0.510 nan 8.280 nan 0.000 0.464 227 F N 1.058 121.012 119.950 0.007 0.000 2.480 227 F HA 0.625 5.146 4.527 -0.009 0.000 0.329 227 F C -0.217 175.609 175.800 0.044 0.000 1.091 227 F CA -0.929 56.992 58.000 -0.131 0.000 0.972 227 F CB 2.101 40.854 39.000 -0.411 0.000 1.150 227 F HN 0.644 nan 8.300 nan 0.000 0.467 228 E N 0.929 121.273 120.200 0.239 0.000 2.340 228 E HA 0.420 4.764 4.350 -0.009 0.000 0.273 228 E C -1.713 174.979 176.600 0.154 0.000 0.891 228 E CA -1.314 55.203 56.400 0.195 0.000 0.757 228 E CB 2.942 32.745 29.700 0.172 0.000 1.231 228 E HN 0.533 nan 8.360 nan 0.000 0.439 229 K N 3.313 123.769 120.400 0.092 0.000 2.265 229 K HA 0.394 4.709 4.320 -0.009 0.000 0.267 229 K C -1.131 175.450 176.600 -0.032 0.000 0.994 229 K CA -0.570 55.678 56.287 -0.065 0.000 0.860 229 K CB 0.810 33.248 32.500 -0.103 0.000 1.099 229 K HN 0.534 nan 8.250 nan 0.000 0.448 230 L N 6.382 127.575 121.223 -0.049 0.000 2.325 230 L HA 0.623 4.957 4.340 -0.009 0.000 0.278 230 L C -0.091 176.901 176.870 0.204 0.000 1.023 230 L CA -1.167 53.726 54.840 0.089 0.000 0.811 230 L CB 1.345 43.437 42.059 0.055 0.000 1.249 230 L HN 0.618 nan 8.230 nan 0.000 0.431 231 I N -0.116 120.639 120.570 0.308 0.000 2.769 231 I HA 0.629 4.793 4.170 -0.009 0.000 0.298 231 I C -2.780 173.357 176.117 0.033 0.000 1.128 231 I CA -2.442 58.989 61.300 0.218 0.000 1.031 231 I CB 2.504 40.539 38.000 0.058 0.000 1.235 231 I HN 0.253 nan 8.210 nan 0.000 0.423 232 P HA 0.202 nan 4.420 nan 0.000 0.280 232 P C -0.913 176.197 177.300 -0.316 0.000 1.244 232 P CA -0.315 62.389 63.100 -0.661 0.000 0.784 232 P CB 0.962 32.168 31.700 -0.823 0.000 0.913 233 R N 3.213 123.556 120.500 -0.262 0.000 2.446 233 R HA 0.029 4.363 4.340 -0.009 0.000 0.314 233 R C 0.418 176.615 176.300 -0.173 0.000 1.003 233 R CA -0.085 55.919 56.100 -0.160 0.000 1.018 233 R CB -0.298 29.932 30.300 -0.118 0.000 0.945 233 R HN 0.348 nan 8.270 nan 0.000 0.419 234 N N 4.281 122.880 118.700 -0.167 0.000 2.807 234 N HA 0.027 4.761 4.740 -0.009 0.000 0.259 234 N C 0.519 175.942 175.510 -0.144 0.000 1.149 234 N CA -0.021 52.897 53.050 -0.220 0.000 1.042 234 N CB 0.441 38.716 38.487 -0.352 0.000 1.367 234 N HN 0.521 nan 8.380 nan 0.000 0.516 235 R N 1.551 121.989 120.500 -0.103 0.000 2.127 235 R HA -0.116 4.219 4.340 -0.009 0.000 0.238 235 R C 0.933 177.217 176.300 -0.027 0.000 1.134 235 R CA 1.198 57.263 56.100 -0.058 0.000 0.975 235 R CB 0.168 30.434 30.300 -0.057 0.000 0.865 235 R HN 0.654 nan 8.270 nan 0.000 0.447 236 E N 0.202 120.401 120.200 -0.001 0.000 2.072 236 E HA -0.192 4.153 4.350 -0.009 0.000 0.191 236 E C 1.891 178.646 176.600 0.259 0.000 0.985 236 E CA 0.911 57.366 56.400 0.092 0.000 0.801 236 E CB 0.001 29.889 29.700 0.312 0.000 0.750 236 E HN 0.392 nan 8.360 nan 0.000 0.452 237 E N 0.994 121.329 120.200 0.226 0.000 2.152 237 E HA -0.176 4.169 4.350 -0.009 0.000 0.192 237 E C 1.756 178.497 176.600 0.235 0.000 0.983 237 E CA 0.649 57.230 56.400 0.302 0.000 0.818 237 E CB 0.186 29.977 29.700 0.152 0.000 0.758 237 E HN 0.216 nan 8.360 nan 0.000 0.467 238 E N 0.543 120.805 120.200 0.104 0.000 2.118 238 E HA -0.284 4.060 4.350 -0.009 0.000 0.195 238 E C 2.157 178.800 176.600 0.071 0.000 0.992 238 E CA 1.346 57.787 56.400 0.069 0.000 0.804 238 E CB -0.140 29.567 29.700 0.013 0.000 0.741 238 E HN 0.381 nan 8.360 nan 0.000 0.458 239 Q N 0.384 120.225 119.800 0.067 0.000 2.124 239 Q HA -0.248 4.086 4.340 -0.009 0.000 0.202 239 Q C 2.073 178.123 176.000 0.084 0.000 0.977 239 Q CA 1.522 57.343 55.803 0.029 0.000 0.850 239 Q CB -0.289 28.423 28.738 -0.043 0.000 0.901 239 Q HN 0.433 nan 8.270 nan 0.000 0.429 240 Y N 0.984 121.332 120.300 0.080 0.000 2.163 240 Y HA -0.143 4.401 4.550 -0.010 0.000 0.288 240 Y C 1.894 177.832 175.900 0.063 0.000 1.136 240 Y CA 1.589 59.757 58.100 0.113 0.000 1.147 240 Y CB -0.254 38.342 38.460 0.226 0.000 0.987 240 Y HN 0.086 nan 8.280 nan 0.000 0.509 241 L N -0.501 120.763 121.223 0.069 0.000 2.083 241 L HA -0.226 4.109 4.340 -0.009 0.000 0.209 241 L C 2.491 179.296 176.870 -0.108 0.000 1.083 241 L CA 1.486 56.292 54.840 -0.057 0.000 0.752 241 L CB -0.715 41.386 42.059 0.071 0.000 0.899 241 L HN 0.177 nan 8.230 nan 0.000 0.433 242 S N 0.027 115.688 115.700 -0.064 0.000 2.383 242 S HA -0.152 4.312 4.470 -0.009 0.000 0.227 242 S C 1.844 176.383 174.600 -0.101 0.000 1.026 242 S CA 1.041 59.201 58.200 -0.068 0.000 0.981 242 S CB -0.301 62.871 63.200 -0.045 0.000 0.818 242 S HN 0.225 nan 8.310 nan 0.000 0.472 243 L N 2.129 123.271 121.223 -0.134 0.000 2.017 243 L HA -0.038 4.296 4.340 -0.009 0.000 0.208 243 L C 2.237 178.998 176.870 -0.181 0.000 1.073 243 L CA 1.599 56.348 54.840 -0.153 0.000 0.745 243 L CB -0.961 40.999 42.059 -0.165 0.000 0.894 243 L HN 0.129 nan 8.230 nan 0.000 0.432 244 V N -0.041 119.707 119.914 -0.276 0.000 2.287 244 V HA -0.352 3.762 4.120 -0.009 0.000 0.248 244 V C 2.384 178.399 176.094 -0.132 0.000 1.053 244 V CA 2.133 64.289 62.300 -0.239 0.000 1.027 244 V CB -0.820 30.808 31.823 -0.325 0.000 0.646 244 V HN 0.554 nan 8.190 nan 0.000 0.447 245 D N -0.414 119.917 120.400 -0.115 0.000 2.123 245 D HA -0.224 4.410 4.640 -0.009 0.000 0.196 245 D C 2.380 178.644 176.300 -0.059 0.000 0.992 245 D CA 1.483 55.441 54.000 -0.071 0.000 0.833 245 D CB -0.158 40.607 40.800 -0.059 0.000 0.954 245 D HN 0.245 nan 8.370 nan 0.000 0.455 246 R N -0.279 120.181 120.500 -0.067 0.000 2.092 246 R HA -0.046 4.288 4.340 -0.009 0.000 0.231 246 R C 2.401 178.672 176.300 -0.050 0.000 1.119 246 R CA 0.956 57.023 56.100 -0.055 0.000 0.970 246 R CB -0.202 30.062 30.300 -0.059 0.000 0.864 246 R HN 0.301 nan 8.270 nan 0.000 0.440 247 I N 0.398 120.932 120.570 -0.061 0.000 2.226 247 I HA -0.305 3.859 4.170 -0.009 0.000 0.245 247 I C 2.154 178.248 176.117 -0.038 0.000 1.100 247 I CA 1.318 62.589 61.300 -0.049 0.000 1.374 247 I CB -0.179 37.784 38.000 -0.060 0.000 1.057 247 I HN 0.203 nan 8.210 nan 0.000 0.413 248 I N 0.274 120.820 120.570 -0.039 0.000 2.226 248 I HA -0.262 3.903 4.170 -0.009 0.000 0.245 248 I C 2.640 178.743 176.117 -0.023 0.000 1.100 248 I CA 1.436 62.720 61.300 -0.026 0.000 1.374 248 I CB -0.312 37.675 38.000 -0.021 0.000 1.057 248 I HN 0.135 nan 8.210 nan 0.000 0.413 249 R N 0.139 120.623 120.500 -0.026 0.000 2.161 249 R HA -0.020 4.314 4.340 -0.009 0.000 0.213 249 R C 1.405 177.693 176.300 -0.020 0.000 1.055 249 R CA 0.957 57.044 56.100 -0.021 0.000 0.996 249 R CB 0.103 30.389 30.300 -0.022 0.000 0.901 249 R HN 0.425 nan 8.270 nan 0.000 0.456 250 E N -0.928 119.259 120.200 -0.022 0.000 2.603 250 E HA 0.115 4.459 4.350 -0.009 0.000 0.224 250 E C 0.371 176.961 176.600 -0.017 0.000 0.896 250 E CA -0.256 56.133 56.400 -0.018 0.000 1.224 250 E CB 1.113 30.801 29.700 -0.019 0.000 1.206 250 E HN 0.181 nan 8.360 nan 0.000 0.576 251 G N 1.291 110.078 108.800 -0.021 0.000 2.554 251 G HA2 0.055 4.009 3.960 -0.009 0.000 0.238 251 G HA3 0.055 4.009 3.960 -0.009 0.000 0.238 251 G C -0.312 174.574 174.900 -0.023 0.000 1.259 251 G CA -0.177 44.911 45.100 -0.020 0.000 0.843 251 G HN 0.045 nan 8.290 nan 0.000 0.582 252 N N -0.862 117.825 118.700 -0.022 0.000 2.509 252 N HA 0.333 5.068 4.740 -0.009 0.000 0.287 252 N C -0.087 175.390 175.510 -0.055 0.000 1.121 252 N CA -0.742 52.291 53.050 -0.029 0.000 0.977 252 N CB 1.948 40.423 38.487 -0.020 0.000 1.167 252 N HN 0.234 nan 8.380 nan 0.000 0.476 253 V N 2.384 122.263 119.914 -0.058 0.000 2.485 253 V HA 0.072 4.186 4.120 -0.009 0.000 0.287 253 V C 0.400 176.426 176.094 -0.114 0.000 1.022 253 V CA 0.517 62.754 62.300 -0.105 0.000 1.067 253 V CB -0.137 31.645 31.823 -0.069 0.000 0.967 253 V HN 0.639 nan 8.190 nan 0.000 0.479 254 K N 3.010 123.278 120.400 -0.219 0.000 2.433 254 K HA 0.686 5.000 4.320 -0.009 0.000 0.252 254 K C -1.431 174.936 176.600 -0.388 0.000 1.015 254 K CA -1.125 55.059 56.287 -0.172 0.000 0.860 254 K CB 2.214 34.626 32.500 -0.146 0.000 1.359 254 K HN 0.714 nan 8.250 nan 0.000 0.452 255 H N 0.210 119.225 119.070 -0.093 0.000 2.600 255 H HA 0.135 4.685 4.556 -0.010 0.000 0.357 255 H C -0.777 174.504 175.328 -0.079 0.000 1.106 255 H CA -0.818 55.183 56.048 -0.078 0.000 1.193 255 H CB 1.384 31.123 29.762 -0.037 0.000 1.594 255 H HN 0.628 nan 8.280 nan 0.000 0.526 256 D N 0.777 121.191 120.400 0.023 0.000 2.440 256 D HA 0.075 4.710 4.640 -0.009 0.000 0.269 256 D C 0.983 177.324 176.300 0.068 0.000 1.249 256 D CA -0.635 53.375 54.000 0.016 0.000 1.055 256 D CB 0.805 41.626 40.800 0.036 0.000 1.104 256 D HN 0.470 nan 8.370 nan 0.000 0.561 257 R N -1.593 118.950 120.500 0.071 0.000 2.159 257 R HA -0.068 4.266 4.340 -0.009 0.000 0.237 257 R C 1.738 178.083 176.300 0.074 0.000 1.131 257 R CA 1.766 57.910 56.100 0.074 0.000 0.982 257 R CB -0.548 29.805 30.300 0.089 0.000 0.868 257 R HN 0.747 nan 8.270 nan 0.000 0.453 258 T N -3.932 110.673 114.554 0.086 0.000 3.107 258 T HA 0.231 4.575 4.350 -0.009 0.000 0.249 258 T C 1.289 176.036 174.700 0.078 0.000 1.096 258 T CA 0.427 62.574 62.100 0.077 0.000 1.012 258 T CB 0.951 69.864 68.868 0.076 0.000 0.977 258 T HN 0.365 nan 8.240 nan 0.000 0.527 259 G N 0.767 109.626 108.800 0.098 0.000 2.157 259 G HA2 -0.211 3.744 3.960 -0.009 0.000 0.239 259 G HA3 -0.211 3.744 3.960 -0.009 0.000 0.239 259 G C -0.009 175.015 174.900 0.207 0.000 0.982 259 G CA -0.171 44.999 45.100 0.117 0.000 0.650 259 G HN 0.675 nan 8.290 nan 0.000 0.527 260 V N 1.304 121.326 119.914 0.181 0.000 2.614 260 V HA 0.572 4.686 4.120 -0.009 0.000 0.291 260 V C 1.492 177.641 176.094 0.091 0.000 1.049 260 V CA 0.196 62.607 62.300 0.185 0.000 1.038 260 V CB 1.284 33.243 31.823 0.227 0.000 0.980 260 V HN 0.749 nan 8.190 nan 0.000 0.481 261 G N 3.479 112.274 108.800 -0.009 0.000 2.406 261 G HA2 0.506 4.460 3.960 -0.009 0.000 0.251 261 G HA3 0.506 4.460 3.960 -0.009 0.000 0.251 261 G C 0.096 174.803 174.900 -0.323 0.000 1.271 261 G CA 0.246 45.129 45.100 -0.361 0.000 0.859 261 G HN 0.917 nan 8.290 nan 0.000 0.540 262 T N -0.676 113.605 114.554 -0.455 0.000 2.901 262 T HA 0.680 5.024 4.350 -0.009 0.000 0.293 262 T C -0.385 174.154 174.700 -0.269 0.000 1.084 262 T CA -0.950 60.888 62.100 -0.437 0.000 1.008 262 T CB 1.637 70.120 68.868 -0.642 0.000 1.170 262 T HN 0.326 nan 8.240 nan 0.000 0.509 263 L N 2.324 123.444 121.223 -0.172 0.000 2.307 263 L HA 0.754 5.088 4.340 -0.009 0.000 0.284 263 L C 0.176 177.012 176.870 -0.058 0.000 1.023 263 L CA -0.728 54.053 54.840 -0.099 0.000 0.810 263 L CB 1.782 43.805 42.059 -0.060 0.000 1.231 263 L HN 1.043 nan 8.230 nan 0.000 0.423 264 S N 3.171 118.849 115.700 -0.037 0.000 2.541 264 S HA 0.816 5.280 4.470 -0.009 0.000 0.271 264 S C -0.928 173.686 174.600 0.023 0.000 1.133 264 S CA -0.777 57.430 58.200 0.012 0.000 0.876 264 S CB 2.154 65.377 63.200 0.038 0.000 1.105 264 S HN 0.485 nan 8.310 nan 0.000 0.470 265 I N -0.572 120.023 120.570 0.041 0.000 2.846 265 I HA 0.867 5.032 4.170 -0.009 0.000 0.307 265 I C -1.224 174.978 176.117 0.142 0.000 1.053 265 I CA -1.104 60.232 61.300 0.060 0.000 1.050 265 I CB 1.386 39.391 38.000 0.008 0.000 1.239 265 I HN 0.630 nan 8.210 nan 0.000 0.439 266 F N 3.726 123.657 119.950 -0.031 0.000 2.426 266 F HA 0.767 5.288 4.527 -0.010 0.000 0.348 266 F C 0.478 176.257 175.800 -0.035 0.000 1.124 266 F CA -0.390 57.593 58.000 -0.027 0.000 1.008 266 F CB 0.960 39.951 39.000 -0.014 0.000 1.139 266 F HN 1.042 nan 8.300 nan 0.000 0.452 267 G N 4.432 112.878 108.800 -0.591 0.000 3.292 267 G HA2 0.451 4.405 3.960 -0.009 0.000 0.636 267 G HA3 0.451 4.405 3.960 -0.009 0.000 0.636 267 G C -1.104 173.630 174.900 -0.277 0.000 1.069 267 G CA -0.296 44.480 45.100 -0.540 0.000 0.890 267 G HN 1.460 nan 8.290 nan 0.000 0.427 268 A N 2.220 124.889 122.820 -0.252 0.000 2.530 268 A HA 1.018 5.332 4.320 -0.009 0.000 0.288 268 A C -0.257 177.217 177.584 -0.183 0.000 1.172 268 A CA -0.098 51.826 52.037 -0.188 0.000 0.733 268 A CB 2.128 21.026 19.000 -0.171 0.000 1.320 268 A HN 1.490 nan 8.150 nan 0.000 0.419 269 Q N 0.033 119.745 119.800 -0.148 0.000 2.295 269 Q HA 0.676 5.011 4.340 -0.009 0.000 0.268 269 Q C -1.799 174.132 176.000 -0.116 0.000 1.010 269 Q CA -0.277 55.452 55.803 -0.123 0.000 0.856 269 Q CB 1.791 30.467 28.738 -0.104 0.000 1.349 269 Q HN 0.812 nan 8.270 nan 0.000 0.412 270 M N 2.066 121.610 119.600 -0.094 0.000 2.644 270 M HA 0.647 5.122 4.480 -0.009 0.000 0.304 270 M C -0.990 175.181 176.300 -0.215 0.000 1.215 270 M CA -0.765 54.435 55.300 -0.166 0.000 0.871 270 M CB 2.724 35.260 32.600 -0.107 0.000 1.740 270 M HN 0.438 nan 8.290 nan 0.000 0.464 271 R N 0.923 121.142 120.500 -0.468 0.000 2.686 271 R HA 0.758 5.092 4.340 -0.009 0.000 0.286 271 R C -1.867 174.022 176.300 -0.686 0.000 0.969 271 R CA -0.529 55.352 56.100 -0.366 0.000 0.898 271 R CB 2.088 32.270 30.300 -0.196 0.000 1.183 271 R HN 0.480 nan 8.270 nan 0.000 0.456 272 F N -0.038 119.934 119.950 0.035 0.000 2.557 272 F HA 0.268 4.790 4.527 -0.009 0.000 0.316 272 F C 0.368 176.178 175.800 0.017 0.000 1.141 272 F CA -0.797 57.224 58.000 0.036 0.000 0.922 272 F CB 2.316 41.306 39.000 -0.018 0.000 1.194 272 F HN 0.322 nan 8.300 nan 0.000 0.443 273 S N 3.264 119.074 115.700 0.185 0.000 2.528 273 S HA 0.432 4.896 4.470 -0.009 0.000 0.277 273 S C 0.409 175.062 174.600 0.088 0.000 1.297 273 S CA -0.394 57.873 58.200 0.113 0.000 1.052 273 S CB 0.353 63.603 63.200 0.083 0.000 0.917 273 S HN 0.703 nan 8.310 nan 0.000 0.492 274 L N 4.504 125.769 121.223 0.070 0.000 2.769 274 L HA 0.317 4.651 4.340 -0.009 0.000 0.240 274 L C 0.956 177.863 176.870 0.062 0.000 1.163 274 L CA -0.244 54.621 54.840 0.042 0.000 0.962 274 L CB -0.057 42.037 42.059 0.057 0.000 1.258 274 L HN 0.500 nan 8.230 nan 0.000 0.513 275 R N 1.592 122.136 120.500 0.073 0.000 2.623 275 R HA 0.051 4.386 4.340 -0.009 0.000 0.271 275 R C 0.277 176.661 176.300 0.141 0.000 1.043 275 R CA -0.082 56.071 56.100 0.088 0.000 1.083 275 R CB 0.102 30.441 30.300 0.064 0.000 0.974 275 R HN 0.209 nan 8.270 nan 0.000 0.436 276 N N 2.202 120.984 118.700 0.138 0.000 2.725 276 N HA -0.221 4.514 4.740 -0.009 0.000 0.249 276 N C -0.832 174.832 175.510 0.257 0.000 1.103 276 N CA 1.028 54.183 53.050 0.175 0.000 0.707 276 N CB -1.134 37.460 38.487 0.178 0.000 1.043 276 N HN 0.748 nan 8.380 nan 0.000 0.553 277 N N -1.129 117.686 118.700 0.191 0.000 2.735 277 N HA -0.216 4.519 4.740 -0.009 0.000 0.248 277 N C 0.084 175.684 175.510 0.150 0.000 1.083 277 N CA 0.990 54.145 53.050 0.175 0.000 0.703 277 N CB -0.937 37.672 38.487 0.202 0.000 1.005 277 N HN 0.588 nan 8.380 nan 0.000 0.550 278 R N 0.442 120.967 120.500 0.042 0.000 2.489 278 R HA 0.217 4.552 4.340 -0.009 0.000 0.287 278 R C -0.213 175.904 176.300 -0.304 0.000 1.053 278 R CA -0.144 55.725 56.100 -0.385 0.000 1.036 278 R CB 0.289 30.378 30.300 -0.352 0.000 0.966 278 R HN 0.165 nan 8.270 nan 0.000 0.432 279 L N 7.845 128.807 121.223 -0.435 0.000 2.316 279 L HA 0.402 4.736 4.340 -0.009 0.000 0.280 279 L C -2.161 174.320 176.870 -0.647 0.000 1.006 279 L CA -2.271 52.292 54.840 -0.462 0.000 0.836 279 L CB 1.844 43.580 42.059 -0.539 0.000 1.221 279 L HN 0.545 nan 8.230 nan 0.000 0.418 280 P HA 0.085 nan 4.420 nan 0.000 0.231 280 P C -0.608 176.018 177.300 -1.123 0.000 1.756 280 P CA 0.080 62.271 63.100 -1.516 0.000 0.990 280 P CB -0.335 30.636 31.700 -1.215 0.000 1.973 281 L N 2.199 122.935 121.223 -0.812 0.000 2.315 281 L HA 0.167 4.501 4.340 -0.009 0.000 0.283 281 L C 0.834 177.660 176.870 -0.073 0.000 1.089 281 L CA -1.105 53.431 54.840 -0.506 0.000 0.833 281 L CB 0.365 41.893 42.059 -0.885 0.000 1.170 281 L HN 0.029 nan 8.230 nan 0.000 0.442 282 L N 3.469 124.695 121.223 0.006 0.000 2.525 282 L HA -0.035 4.299 4.340 -0.009 0.000 0.278 282 L C 1.542 178.629 176.870 0.362 0.000 1.218 282 L CA 0.833 55.799 54.840 0.211 0.000 0.878 282 L CB 1.021 43.049 42.059 -0.051 0.000 1.127 282 L HN 0.757 nan 8.230 nan 0.000 0.492 283 T N -3.690 111.073 114.554 0.347 0.000 3.023 283 T HA -0.047 4.297 4.350 -0.009 0.000 0.249 283 T C 1.423 176.307 174.700 0.306 0.000 1.050 283 T CA 0.555 62.832 62.100 0.295 0.000 1.088 283 T CB -0.255 68.758 68.868 0.241 0.000 0.946 283 T HN 0.658 nan 8.240 nan 0.000 0.480 284 T N -0.815 113.876 114.554 0.228 0.000 3.035 284 T HA 0.167 4.511 4.350 -0.009 0.000 0.268 284 T C 0.576 175.326 174.700 0.083 0.000 1.109 284 T CA 0.333 62.486 62.100 0.089 0.000 1.119 284 T CB -0.176 68.686 68.868 -0.010 0.000 0.900 284 T HN 0.486 nan 8.240 nan 0.000 0.503 285 K N 1.040 121.522 120.400 0.137 0.000 2.565 285 K HA 0.332 4.646 4.320 -0.009 0.000 0.251 285 K C -0.806 175.890 176.600 0.160 0.000 0.956 285 K CA -0.864 55.501 56.287 0.129 0.000 0.809 285 K CB 2.087 34.656 32.500 0.114 0.000 1.267 285 K HN 0.207 nan 8.250 nan 0.000 0.438 286 R N 2.983 123.571 120.500 0.146 0.000 2.538 286 R HA 0.090 4.424 4.340 -0.009 0.000 0.282 286 R C -1.000 175.461 176.300 0.268 0.000 1.009 286 R CA -0.076 56.143 56.100 0.198 0.000 1.063 286 R CB 0.448 30.818 30.300 0.117 0.000 0.945 286 R HN 0.222 nan 8.270 nan 0.000 0.414 287 V N 6.081 126.218 119.914 0.372 0.000 2.472 287 V HA 0.146 4.261 4.120 -0.009 0.000 0.290 287 V C 0.019 176.336 176.094 0.372 0.000 1.037 287 V CA -0.660 61.818 62.300 0.296 0.000 0.908 287 V CB 1.147 33.058 31.823 0.146 0.000 0.985 287 V HN 0.683 nan 8.190 nan 0.000 0.454 288 F N 5.772 125.828 119.950 0.177 0.000 2.685 288 F HA 0.085 4.608 4.527 -0.006 0.000 0.349 288 F C 1.025 176.844 175.800 0.033 0.000 1.294 288 F CA -0.937 57.153 58.000 0.151 0.000 1.201 288 F CB -0.376 38.743 39.000 0.199 0.000 1.615 288 F HN 0.813 nan 8.300 nan 0.000 0.674 289 W N 5.097 126.329 121.300 -0.114 0.000 2.335 289 W HA -0.256 4.399 4.660 -0.009 0.000 0.311 289 W C 1.892 178.130 176.519 -0.469 0.000 1.213 289 W CA 1.791 58.937 57.345 -0.332 0.000 1.274 289 W CB -0.280 29.029 29.460 -0.252 0.000 1.148 289 W HN 0.500 nan 8.180 nan 0.000 0.498 290 R N 0.460 120.615 120.500 -0.576 0.000 2.103 290 R HA -0.154 4.180 4.340 -0.009 0.000 0.242 290 R C 2.578 178.287 176.300 -0.986 0.000 1.142 290 R CA 2.274 57.959 56.100 -0.691 0.000 0.960 290 R CB -1.073 29.074 30.300 -0.255 0.000 0.858 290 R HN 0.284 nan 8.270 nan 0.000 0.439 291 G N -0.089 107.721 108.800 -1.649 0.000 2.421 291 G HA2 -0.235 3.719 3.960 -0.009 0.000 0.216 291 G HA3 -0.235 3.719 3.960 -0.009 0.000 0.216 291 G C 1.425 175.927 174.900 -0.664 0.000 1.171 291 G CA 0.931 45.348 45.100 -1.138 0.000 0.775 291 G HN 0.227 nan 8.290 nan 0.000 0.543 292 V N 0.198 119.534 119.914 -0.964 0.000 2.282 292 V HA -0.273 3.842 4.120 -0.009 0.000 0.249 292 V C 2.978 178.551 176.094 -0.869 0.000 1.057 292 V CA 1.955 63.585 62.300 -1.116 0.000 1.032 292 V CB -0.842 30.236 31.823 -1.240 0.000 0.645 292 V HN 0.594 nan 8.190 nan 0.000 0.447 293 C N -0.013 118.594 119.300 -1.155 0.000 2.462 293 C HA -0.119 4.335 4.460 -0.009 0.000 0.278 293 C C 2.843 177.524 174.990 -0.515 0.000 1.253 293 C CA 1.145 59.587 59.018 -0.960 0.000 1.713 293 C CB -1.024 25.998 27.740 -1.196 0.000 2.049 293 C HN 0.608 nan 8.230 nan 0.000 0.477 294 E N 0.407 120.321 120.200 -0.477 0.000 2.077 294 E HA -0.217 4.127 4.350 -0.009 0.000 0.193 294 E C 2.097 178.537 176.600 -0.267 0.000 0.989 294 E CA 1.277 57.496 56.400 -0.302 0.000 0.800 294 E CB -0.621 28.901 29.700 -0.298 0.000 0.746 294 E HN 0.765 nan 8.360 nan 0.000 0.452 295 E N 0.516 120.501 120.200 -0.359 0.000 2.072 295 E HA -0.167 4.177 4.350 -0.009 0.000 0.191 295 E C 2.289 178.582 176.600 -0.511 0.000 0.985 295 E CA 0.532 56.666 56.400 -0.442 0.000 0.801 295 E CB -0.021 29.461 29.700 -0.364 0.000 0.750 295 E HN 0.086 nan 8.360 nan 0.000 0.452 296 L N 0.800 121.832 121.223 -0.318 0.000 2.056 296 L HA -0.159 4.175 4.340 -0.009 0.000 0.207 296 L C 2.277 179.181 176.870 0.057 0.000 1.078 296 L CA 1.253 56.056 54.840 -0.062 0.000 0.749 296 L CB -0.194 41.843 42.059 -0.037 0.000 0.901 296 L HN 0.174 nan 8.230 nan 0.000 0.433 297 L N -1.928 119.298 121.223 0.006 0.000 2.046 297 L HA -0.253 4.081 4.340 -0.009 0.000 0.208 297 L C 2.381 179.326 176.870 0.124 0.000 1.077 297 L CA 1.764 56.654 54.840 0.084 0.000 0.747 297 L CB -0.856 41.242 42.059 0.066 0.000 0.896 297 L HN 0.510 nan 8.230 nan 0.000 0.432 298 W N 0.651 121.866 121.300 -0.141 0.000 2.335 298 W HA -0.264 4.392 4.660 -0.006 0.000 0.311 298 W C 2.294 178.762 176.519 -0.085 0.000 1.213 298 W CA 1.453 58.709 57.345 -0.148 0.000 1.274 298 W CB -0.260 29.041 29.460 -0.265 0.000 1.148 298 W HN -0.024 nan 8.180 nan 0.000 0.498 299 F N 0.305 120.276 119.950 0.035 0.000 2.069 299 F HA -0.234 4.287 4.527 -0.009 0.000 0.298 299 F C 2.427 178.074 175.800 -0.255 0.000 1.113 299 F CA 1.536 59.330 58.000 -0.344 0.000 1.214 299 F CB -1.607 37.079 39.000 -0.523 0.000 0.978 299 F HN -0.149 nan 8.300 nan 0.000 0.474 300 L N -0.583 120.768 121.223 0.213 0.000 2.079 300 L HA -0.223 4.111 4.340 -0.009 0.000 0.210 300 L C 2.480 179.408 176.870 0.096 0.000 1.081 300 L CA 1.275 56.247 54.840 0.221 0.000 0.752 300 L CB -0.412 41.771 42.059 0.207 0.000 0.896 300 L HN 0.084 nan 8.230 nan 0.000 0.433 301 R N -0.350 120.172 120.500 0.037 0.000 2.316 301 R HA -0.007 4.328 4.340 -0.009 0.000 0.202 301 R C 1.161 177.431 176.300 -0.050 0.000 1.029 301 R CA 0.600 56.701 56.100 0.002 0.000 1.018 301 R CB -0.057 30.246 30.300 0.004 0.000 0.888 301 R HN 0.491 nan 8.270 nan 0.000 0.471 302 G N 1.709 110.441 108.800 -0.113 0.000 2.176 302 G HA2 -0.240 3.714 3.960 -0.009 0.000 0.252 302 G HA3 -0.240 3.714 3.960 -0.009 0.000 0.252 302 G C -0.286 174.508 174.900 -0.176 0.000 1.024 302 G CA -0.043 44.982 45.100 -0.125 0.000 0.755 302 G HN 0.265 nan 8.290 nan 0.000 0.507 303 E N -0.318 119.600 120.200 -0.471 0.000 2.392 303 E HA 0.441 4.785 4.350 -0.009 0.000 0.259 303 E C 1.405 177.512 176.600 -0.822 0.000 1.108 303 E CA 0.670 56.678 56.400 -0.653 0.000 0.916 303 E CB 0.925 29.941 29.700 -1.140 0.000 0.989 303 E HN 0.629 nan 8.360 nan 0.000 0.432 304 T N -2.786 111.542 114.554 -0.376 0.000 3.046 304 T HA 0.012 4.357 4.350 -0.009 0.000 0.270 304 T C 0.075 174.856 174.700 0.135 0.000 0.920 304 T CA -0.327 61.644 62.100 -0.214 0.000 0.874 304 T CB -0.163 68.629 68.868 -0.128 0.000 1.214 304 T HN 0.322 nan 8.240 nan 0.000 0.536 305 Y N 3.054 123.397 120.300 0.072 0.000 2.535 305 Y HA 0.716 5.262 4.550 -0.008 0.000 0.349 305 Y C 1.321 177.362 175.900 0.236 0.000 0.992 305 Y CA -1.998 56.106 58.100 0.006 0.000 1.248 305 Y CB 0.515 38.861 38.460 -0.190 0.000 1.124 305 Y HN 0.261 nan 8.280 nan 0.000 0.520 306 A N 4.875 127.688 122.820 -0.012 0.000 2.168 306 A HA -0.102 4.212 4.320 -0.009 0.000 0.215 306 A C 2.195 179.540 177.584 -0.397 0.000 1.152 306 A CA 1.076 52.966 52.037 -0.245 0.000 0.716 306 A CB -0.394 18.461 19.000 -0.242 0.000 0.794 306 A HN 0.789 nan 8.150 nan 0.000 0.465 307 K N 0.379 120.371 120.400 -0.680 0.000 2.280 307 K HA -0.114 4.200 4.320 -0.009 0.000 0.202 307 K C 1.691 178.066 176.600 -0.376 0.000 1.047 307 K CA 1.450 57.363 56.287 -0.624 0.000 0.942 307 K CB -0.135 31.765 32.500 -0.999 0.000 0.739 307 K HN 0.448 nan 8.250 nan 0.000 0.457 308 K N 0.246 120.486 120.400 -0.267 0.000 2.211 308 K HA -0.082 4.232 4.320 -0.009 0.000 0.203 308 K C 1.862 178.364 176.600 -0.164 0.000 1.050 308 K CA 1.069 57.318 56.287 -0.064 0.000 0.945 308 K CB 0.036 32.651 32.500 0.191 0.000 0.732 308 K HN 0.188 nan 8.250 nan 0.000 0.451 309 L N -0.154 120.863 121.223 -0.343 0.000 2.102 309 L HA -0.082 4.253 4.340 -0.009 0.000 0.202 309 L C 2.340 179.006 176.870 -0.339 0.000 1.076 309 L CA 0.662 55.260 54.840 -0.403 0.000 0.761 309 L CB -0.386 41.313 42.059 -0.600 0.000 0.921 309 L HN 0.029 nan 8.230 nan 0.000 0.444 310 S N 0.152 115.652 115.700 -0.334 0.000 2.372 310 S HA -0.233 4.231 4.470 -0.009 0.000 0.227 310 S C 1.531 175.970 174.600 -0.269 0.000 1.044 310 S CA 1.791 59.778 58.200 -0.354 0.000 1.050 310 S CB -0.358 62.731 63.200 -0.186 0.000 0.901 310 S HN 0.428 nan 8.310 nan 0.000 0.447 311 D N 0.833 121.131 120.400 -0.170 0.000 2.218 311 D HA -0.039 4.596 4.640 -0.009 0.000 0.204 311 D C 1.317 177.567 176.300 -0.083 0.000 0.976 311 D CA 0.958 54.904 54.000 -0.090 0.000 0.853 311 D CB -0.108 40.658 40.800 -0.057 0.000 0.939 311 D HN 0.414 nan 8.370 nan 0.000 0.481 312 K N -0.472 119.853 120.400 -0.125 0.000 2.446 312 K HA 0.263 4.578 4.320 -0.009 0.000 0.203 312 K C 0.896 177.435 176.600 -0.102 0.000 1.027 312 K CA 0.240 56.469 56.287 -0.096 0.000 1.166 312 K CB 0.798 33.236 32.500 -0.103 0.000 0.869 312 K HN 0.048 nan 8.250 nan 0.000 0.504 313 G N 1.167 109.866 108.800 -0.167 0.000 2.160 313 G HA2 -0.233 3.721 3.960 -0.009 0.000 0.251 313 G HA3 -0.233 3.721 3.960 -0.009 0.000 0.251 313 G C -0.033 174.762 174.900 -0.176 0.000 1.008 313 G CA 0.002 45.017 45.100 -0.140 0.000 0.724 313 G HN 0.163 nan 8.290 nan 0.000 0.514 314 V N 0.417 120.143 119.914 -0.314 0.000 2.311 314 V HA 0.453 4.567 4.120 -0.009 0.000 0.275 314 V C 0.671 176.590 176.094 -0.290 0.000 1.022 314 V CA -0.473 61.746 62.300 -0.135 0.000 0.830 314 V CB 1.030 32.760 31.823 -0.155 0.000 1.012 314 V HN 0.430 nan 8.190 nan 0.000 0.452 315 H N 3.990 123.080 119.070 0.033 0.000 2.542 315 H HA 0.238 4.793 4.556 -0.001 0.000 0.283 315 H C 1.911 177.199 175.328 -0.067 0.000 1.059 315 H CA 0.006 56.037 56.048 -0.027 0.000 1.162 315 H CB 0.292 30.032 29.762 -0.037 0.000 1.539 315 H HN 0.766 nan 8.280 nan 0.000 0.543 316 I N -2.538 118.013 120.570 -0.032 0.000 2.423 316 I HA -0.188 3.977 4.170 -0.009 0.000 0.254 316 I C 0.957 176.860 176.117 -0.356 0.000 1.151 316 I CA 1.433 62.596 61.300 -0.229 0.000 1.421 316 I CB -0.150 37.622 38.000 -0.379 0.000 1.079 316 I HN 0.181 nan 8.210 nan 0.000 0.431 317 W N 1.525 122.725 121.300 -0.167 0.000 3.220 317 W HA 0.153 4.806 4.660 -0.011 0.000 0.328 317 W C 1.579 178.030 176.519 -0.113 0.000 1.205 317 W CA -0.344 56.910 57.345 -0.153 0.000 1.773 317 W CB 0.048 29.379 29.460 -0.214 0.000 1.086 317 W HN 0.072 nan 8.180 nan 0.000 0.622 318 D N 0.497 120.950 120.400 0.087 0.000 2.117 318 D HA -0.203 4.431 4.640 -0.009 0.000 0.197 318 D C 1.587 177.904 176.300 0.029 0.000 0.987 318 D CA 1.623 55.664 54.000 0.069 0.000 0.829 318 D CB -0.266 40.581 40.800 0.079 0.000 0.961 318 D HN 0.037 nan 8.370 nan 0.000 0.460 319 D N -0.019 120.354 120.400 -0.045 0.000 2.144 319 D HA -0.066 4.569 4.640 -0.009 0.000 0.200 319 D C 1.349 177.522 176.300 -0.212 0.000 0.978 319 D CA 0.681 54.618 54.000 -0.106 0.000 0.833 319 D CB -0.204 40.499 40.800 -0.162 0.000 0.961 319 D HN 0.167 nan 8.370 nan 0.000 0.470 320 N N -0.234 118.322 118.700 -0.241 0.000 2.398 320 N HA 0.031 4.765 4.740 -0.009 0.000 0.188 320 N C 1.482 177.088 175.510 0.160 0.000 1.122 320 N CA 0.327 53.136 53.050 -0.401 0.000 0.866 320 N CB 0.763 39.110 38.487 -0.233 0.000 0.970 320 N HN 0.156 nan 8.380 nan 0.000 0.462 321 G N -0.062 108.851 108.800 0.188 0.000 3.192 321 G HA2 -0.007 3.947 3.960 -0.009 0.000 0.239 321 G HA3 -0.007 3.947 3.960 -0.009 0.000 0.239 321 G C 0.409 175.432 174.900 0.205 0.000 1.084 321 G CA -0.145 45.089 45.100 0.224 0.000 0.784 321 G HN 0.260 nan 8.290 nan 0.000 0.540 322 S N 0.033 115.849 115.700 0.194 0.000 2.579 322 S HA 0.217 4.681 4.470 -0.009 0.000 0.275 322 S C 1.489 176.205 174.600 0.193 0.000 1.345 322 S CA -0.194 58.107 58.200 0.168 0.000 1.031 322 S CB 1.981 65.265 63.200 0.139 0.000 0.892 322 S HN 0.209 nan 8.310 nan 0.000 0.529 323 R N 2.280 122.868 120.500 0.146 0.000 2.112 323 R HA -0.198 4.136 4.340 -0.009 0.000 0.242 323 R C 2.361 178.732 176.300 0.118 0.000 1.137 323 R CA 2.465 58.641 56.100 0.127 0.000 0.944 323 R CB -1.462 28.896 30.300 0.096 0.000 0.857 323 R HN 0.892 nan 8.270 nan 0.000 0.435 324 A N -0.671 122.220 122.820 0.119 0.000 1.883 324 A HA -0.162 4.153 4.320 -0.009 0.000 0.217 324 A C 2.262 179.920 177.584 0.123 0.000 1.186 324 A CA 1.595 53.694 52.037 0.104 0.000 0.624 324 A CB -0.913 18.148 19.000 0.102 0.000 0.822 324 A HN 0.523 nan 8.150 nan 0.000 0.444 325 F N 0.324 120.308 119.950 0.057 0.000 2.146 325 F HA -0.046 4.475 4.527 -0.010 0.000 0.298 325 F C 1.928 177.769 175.800 0.068 0.000 1.096 325 F CA 1.407 59.445 58.000 0.063 0.000 1.275 325 F CB -0.183 38.864 39.000 0.080 0.000 1.008 325 F HN 0.125 nan 8.300 nan 0.000 0.480 326 L N -0.081 121.245 121.223 0.172 0.000 2.042 326 L HA -0.246 4.088 4.340 -0.009 0.000 0.210 326 L C 2.069 178.902 176.870 -0.062 0.000 1.076 326 L CA 1.486 56.377 54.840 0.085 0.000 0.749 326 L CB -0.812 41.365 42.059 0.196 0.000 0.893 326 L HN 0.078 nan 8.230 nan 0.000 0.432 327 D N -0.477 119.901 120.400 -0.038 0.000 2.144 327 D HA -0.157 4.478 4.640 -0.009 0.000 0.199 327 D C 2.328 178.555 176.300 -0.122 0.000 0.984 327 D CA 1.646 55.607 54.000 -0.065 0.000 0.834 327 D CB -0.150 40.638 40.800 -0.021 0.000 0.955 327 D HN 0.315 nan 8.370 nan 0.000 0.465 328 S N -0.433 115.160 115.700 -0.178 0.000 2.595 328 S HA -0.059 4.405 4.470 -0.009 0.000 0.235 328 S C 1.732 176.155 174.600 -0.293 0.000 0.974 328 S CA 0.451 58.518 58.200 -0.222 0.000 0.942 328 S CB 0.138 63.190 63.200 -0.246 0.000 0.766 328 S HN -0.016 nan 8.310 nan 0.000 0.536 329 R N 0.138 120.448 120.500 -0.316 0.000 2.437 329 R HA 0.374 4.708 4.340 -0.009 0.000 0.257 329 R C 1.389 177.577 176.300 -0.186 0.000 0.927 329 R CA 0.718 56.654 56.100 -0.274 0.000 1.078 329 R CB 0.016 30.129 30.300 -0.312 0.000 1.161 329 R HN 0.502 nan 8.270 nan 0.000 0.529 330 G N 0.414 109.113 108.800 -0.168 0.000 2.157 330 G HA2 -0.237 3.718 3.960 -0.009 0.000 0.248 330 G HA3 -0.237 3.718 3.960 -0.009 0.000 0.248 330 G C -0.016 174.767 174.900 -0.195 0.000 0.979 330 G CA 0.273 45.282 45.100 -0.150 0.000 0.650 330 G HN 0.241 nan 8.290 nan 0.000 0.529 331 L N 2.359 123.445 121.223 -0.229 0.000 2.719 331 L HA 0.294 4.629 4.340 -0.009 0.000 0.236 331 L C 2.049 178.768 176.870 -0.252 0.000 1.285 331 L CA 0.337 54.938 54.840 -0.398 0.000 1.222 331 L CB 0.066 41.859 42.059 -0.443 0.000 1.493 331 L HN 0.349 nan 8.230 nan 0.000 0.415 332 T N -4.053 110.401 114.554 -0.166 0.000 3.055 332 T HA -0.093 4.252 4.350 -0.009 0.000 0.265 332 T C 1.502 176.206 174.700 0.005 0.000 1.111 332 T CA 0.652 62.720 62.100 -0.054 0.000 1.118 332 T CB 0.062 68.904 68.868 -0.044 0.000 0.909 332 T HN 0.537 nan 8.240 nan 0.000 0.501 333 E N 0.116 120.306 120.200 -0.017 0.000 2.400 333 E HA -0.046 4.299 4.350 -0.009 0.000 0.195 333 E C -0.381 176.430 176.600 0.351 0.000 1.012 333 E CA -0.129 56.350 56.400 0.131 0.000 0.875 333 E CB -0.389 29.380 29.700 0.115 0.000 0.859 333 E HN 0.463 nan 8.360 nan 0.000 0.498 334 Y N 3.866 124.264 120.300 0.162 0.000 2.569 334 Y HA 0.049 4.593 4.550 -0.010 0.000 0.332 334 Y C 1.174 177.197 175.900 0.205 0.000 1.120 334 Y CA -1.331 56.901 58.100 0.220 0.000 1.416 334 Y CB -0.026 38.533 38.460 0.166 0.000 1.210 334 Y HN 0.138 nan 8.280 nan 0.000 0.528 335 E N 2.303 122.732 120.200 0.381 0.000 2.408 335 E HA 0.020 4.364 4.350 -0.009 0.000 0.259 335 E C -0.493 176.273 176.600 0.277 0.000 1.110 335 E CA -0.633 55.926 56.400 0.265 0.000 0.929 335 E CB 0.697 30.523 29.700 0.210 0.000 0.971 335 E HN 0.658 nan 8.360 nan 0.000 0.438 336 E N 1.441 121.776 120.200 0.225 0.000 2.502 336 E HA -0.142 4.202 4.350 -0.009 0.000 0.261 336 E C 0.048 176.779 176.600 0.218 0.000 0.974 336 E CA 0.410 56.931 56.400 0.201 0.000 0.936 336 E CB 0.215 30.003 29.700 0.148 0.000 0.926 336 E HN 0.569 nan 8.360 nan 0.000 0.459 337 M N 0.903 120.603 119.600 0.167 0.000 2.990 337 M HA -0.217 4.257 4.480 -0.009 0.000 0.206 337 M C -0.442 175.944 176.300 0.143 0.000 0.594 337 M CA 0.704 56.048 55.300 0.074 0.000 0.787 337 M CB -2.013 30.495 32.600 -0.154 0.000 2.812 337 M HN 0.538 nan 8.290 nan 0.000 0.300 338 D N 1.706 122.246 120.400 0.234 0.000 2.336 338 D HA 0.458 5.093 4.640 -0.009 0.000 0.249 338 D C 0.912 177.217 176.300 0.009 0.000 1.213 338 D CA -0.025 54.058 54.000 0.138 0.000 0.870 338 D CB 0.486 41.370 40.800 0.141 0.000 1.076 338 D HN 0.442 nan 8.370 nan 0.000 0.483 339 L N 3.025 124.204 121.223 -0.072 0.000 2.592 339 L HA 0.278 4.612 4.340 -0.009 0.000 0.227 339 L C 1.517 178.249 176.870 -0.229 0.000 1.127 339 L CA 0.124 54.924 54.840 -0.065 0.000 0.884 339 L CB -0.521 41.459 42.059 -0.132 0.000 1.065 339 L HN 0.623 nan 8.230 nan 0.000 0.457 340 G N 1.289 109.686 108.800 -0.672 0.000 2.725 340 G HA2 -0.203 3.751 3.960 -0.009 0.000 0.220 340 G HA3 -0.203 3.751 3.960 -0.009 0.000 0.220 340 G C -2.529 171.560 174.900 -1.352 0.000 1.357 340 G CA -0.489 43.923 45.100 -1.148 0.000 0.866 340 G HN 0.041 nan 8.290 nan 0.000 0.548 341 P HA 0.338 nan 4.420 nan 0.000 0.225 341 P C 0.723 177.709 177.300 -0.524 0.000 1.768 341 P CA 0.447 62.782 63.100 -1.276 0.000 0.943 341 P CB -0.443 30.554 31.700 -1.172 0.000 1.936 342 V N -2.161 117.502 119.914 -0.419 0.000 2.953 342 V HA 0.180 4.295 4.120 -0.009 0.000 0.304 342 V C 1.252 177.250 176.094 -0.160 0.000 1.073 342 V CA -0.453 61.687 62.300 -0.267 0.000 1.064 342 V CB -0.512 31.201 31.823 -0.184 0.000 1.047 342 V HN 0.218 nan 8.190 nan 0.000 0.478 343 Y N 2.638 122.838 120.300 -0.167 0.000 2.573 343 Y HA -0.411 4.133 4.550 -0.010 0.000 0.468 343 Y C 2.417 177.850 175.900 -0.778 0.000 0.973 343 Y CA 2.958 60.790 58.100 -0.448 0.000 3.076 343 Y CB -2.144 35.909 38.460 -0.679 0.000 0.974 343 Y HN 0.836 nan 8.280 nan 0.000 0.605 344 G N -1.522 106.867 108.800 -0.686 0.000 2.450 344 G HA2 -0.259 3.696 3.960 -0.009 0.000 0.220 344 G HA3 -0.259 3.696 3.960 -0.009 0.000 0.220 344 G C 1.416 176.205 174.900 -0.185 0.000 1.130 344 G CA 0.966 45.683 45.100 -0.638 0.000 0.760 344 G HN 0.478 nan 8.290 nan 0.000 0.557 345 F N 1.174 120.980 119.950 -0.239 0.000 2.102 345 F HA -0.103 4.419 4.527 -0.009 0.000 0.298 345 F C 2.874 178.676 175.800 0.003 0.000 1.105 345 F CA 1.794 59.732 58.000 -0.103 0.000 1.239 345 F CB 0.101 38.967 39.000 -0.223 0.000 0.991 345 F HN 0.085 nan 8.300 nan 0.000 0.474 346 Q N -0.614 119.307 119.800 0.202 0.000 2.167 346 Q HA -0.192 4.143 4.340 -0.009 0.000 0.202 346 Q C 2.053 178.318 176.000 0.441 0.000 0.970 346 Q CA 1.369 57.334 55.803 0.270 0.000 0.855 346 Q CB -0.904 28.011 28.738 0.295 0.000 0.911 346 Q HN 0.536 nan 8.270 nan 0.000 0.438 347 W N 1.180 122.547 121.300 0.113 0.000 2.363 347 W HA -0.089 4.566 4.660 -0.008 0.000 0.296 347 W C 1.974 178.425 176.519 -0.113 0.000 1.212 347 W CA 0.680 58.039 57.345 0.023 0.000 1.260 347 W CB -0.321 29.073 29.460 -0.110 0.000 1.131 347 W HN 0.139 nan 8.180 nan 0.000 0.530 348 R N -1.667 118.811 120.500 -0.036 0.000 2.254 348 R HA 0.080 4.415 4.340 -0.009 0.000 0.193 348 R C 0.227 176.105 176.300 -0.703 0.000 0.929 348 R CA 0.730 56.585 56.100 -0.408 0.000 1.038 348 R CB -0.523 29.412 30.300 -0.608 0.000 1.009 348 R HN 0.266 nan 8.270 nan 0.000 0.512 349 H N -0.935 117.986 119.070 -0.249 0.000 2.901 349 H HA 0.148 4.698 4.556 -0.010 0.000 0.227 349 H C -0.776 174.436 175.328 -0.194 0.000 1.390 349 H CA -0.953 54.867 56.048 -0.380 0.000 1.120 349 H CB -0.447 28.716 29.762 -0.999 0.000 2.131 349 H HN -0.068 nan 8.280 nan 0.000 0.549 350 F N 1.886 121.833 119.950 -0.005 0.000 2.623 350 F HA 0.243 4.765 4.527 -0.009 0.000 0.383 350 F C 1.565 177.424 175.800 0.098 0.000 1.077 350 F CA 2.124 60.174 58.000 0.084 0.000 1.268 350 F CB 0.548 39.612 39.000 0.107 0.000 1.053 350 F HN 0.615 nan 8.300 nan 0.000 0.571 351 G N 3.406 112.026 108.800 -0.299 0.000 2.205 351 G HA2 -0.208 3.746 3.960 -0.009 0.000 0.261 351 G HA3 -0.208 3.746 3.960 -0.009 0.000 0.261 351 G C 0.297 175.236 174.900 0.066 0.000 0.980 351 G CA 0.066 45.120 45.100 -0.076 0.000 0.632 351 G HN 1.340 nan 8.290 nan 0.000 0.533 352 A N 0.311 123.212 122.820 0.134 0.000 2.445 352 A HA 0.762 5.076 4.320 -0.009 0.000 0.242 352 A C 0.976 178.718 177.584 0.265 0.000 1.075 352 A CA 1.008 53.164 52.037 0.199 0.000 0.777 352 A CB 0.429 19.530 19.000 0.169 0.000 1.013 352 A HN 2.096 nan 8.150 nan 0.000 0.493 353 A N 1.325 124.270 122.820 0.207 0.000 2.450 353 A HA 0.480 4.794 4.320 -0.009 0.000 0.255 353 A C -0.449 177.276 177.584 0.235 0.000 1.096 353 A CA -0.009 52.127 52.037 0.165 0.000 0.778 353 A CB -0.160 18.901 19.000 0.102 0.000 1.031 353 A HN 0.906 nan 8.150 nan 0.000 0.494 354 Y N 2.090 122.366 120.300 -0.039 0.000 2.361 354 Y HA 0.427 4.971 4.550 -0.010 0.000 0.332 354 Y C 1.386 177.250 175.900 -0.060 0.000 1.101 354 Y CA 0.625 58.630 58.100 -0.158 0.000 1.137 354 Y CB 1.799 39.951 38.460 -0.514 0.000 1.207 354 Y HN 0.858 nan 8.280 nan 0.000 0.463 355 T N 0.664 114.944 114.554 -0.458 0.000 3.397 355 T HA 0.335 4.680 4.350 -0.009 0.000 0.233 355 T C -0.188 174.002 174.700 -0.851 0.000 0.969 355 T CA 0.076 61.921 62.100 -0.426 0.000 1.316 355 T CB 0.093 68.840 68.868 -0.201 0.000 1.175 355 T HN 0.576 nan 8.240 nan 0.000 0.381 356 H N 0.247 118.978 119.070 -0.564 0.000 2.985 356 H HA 0.357 4.907 4.556 -0.010 0.000 0.360 356 H C 0.915 175.942 175.328 -0.503 0.000 1.221 356 H CA 0.049 55.824 56.048 -0.455 0.000 1.121 356 H CB 1.643 31.247 29.762 -0.265 0.000 1.854 356 H HN 0.641 nan 8.280 nan 0.000 0.551 357 H N 0.104 119.109 119.070 -0.109 0.000 2.422 357 H HA -0.140 4.411 4.556 -0.008 0.000 0.298 357 H C 0.666 175.981 175.328 -0.022 0.000 1.098 357 H CA 1.956 58.003 56.048 -0.002 0.000 1.315 357 H CB 0.036 29.777 29.762 -0.034 0.000 1.382 357 H HN 0.503 nan 8.280 nan 0.000 0.523 358 D N 0.838 120.737 120.400 -0.835 0.000 2.340 358 D HA 0.175 4.809 4.640 -0.009 0.000 0.220 358 D C 0.828 176.917 176.300 -0.350 0.000 1.039 358 D CA 0.344 53.993 54.000 -0.585 0.000 0.866 358 D CB -0.318 40.046 40.800 -0.726 0.000 0.913 358 D HN 0.635 nan 8.370 nan 0.000 0.523 359 A N 0.312 122.917 122.820 -0.358 0.000 2.272 359 A HA 0.301 4.615 4.320 -0.009 0.000 0.275 359 A C 0.325 177.510 177.584 -0.665 0.000 1.096 359 A CA -0.646 51.081 52.037 -0.516 0.000 0.822 359 A CB 0.331 18.939 19.000 -0.654 0.000 1.088 359 A HN 0.179 nan 8.150 nan 0.000 0.495 360 N N -0.147 118.161 118.700 -0.653 0.000 2.444 360 N HA 0.250 4.984 4.740 -0.009 0.000 0.271 360 N C -1.075 173.991 175.510 -0.740 0.000 1.069 360 N CA 0.186 52.919 53.050 -0.528 0.000 0.965 360 N CB 0.483 38.770 38.487 -0.333 0.000 1.092 360 N HN 0.560 nan 8.380 nan 0.000 0.476 361 Y N 0.273 120.393 120.300 -0.300 0.000 2.527 361 Y HA 0.222 4.766 4.550 -0.010 0.000 0.247 361 Y C -0.213 175.386 175.900 -0.502 0.000 1.138 361 Y CA -0.690 57.130 58.100 -0.468 0.000 1.228 361 Y CB 0.296 38.315 38.460 -0.735 0.000 1.252 361 Y HN 0.384 nan 8.280 nan 0.000 0.531 362 D N 1.110 121.290 120.400 -0.366 0.000 2.581 362 D HA 0.176 4.810 4.640 -0.009 0.000 0.238 362 D C 1.441 177.361 176.300 -0.634 0.000 1.145 362 D CA 1.896 55.460 54.000 -0.726 0.000 0.866 362 D CB 0.546 40.626 40.800 -1.200 0.000 1.151 362 D HN 0.579 nan 8.370 nan 0.000 0.500 363 G N 2.563 111.123 108.800 -0.400 0.000 2.148 363 G HA2 -0.315 3.639 3.960 -0.009 0.000 0.254 363 G HA3 -0.315 3.639 3.960 -0.009 0.000 0.254 363 G C 0.222 175.146 174.900 0.039 0.000 0.981 363 G CA 0.026 45.106 45.100 -0.033 0.000 0.670 363 G HN 0.560 nan 8.290 nan 0.000 0.528 364 Q N -0.329 119.499 119.800 0.047 0.000 2.245 364 Q HA 0.549 4.884 4.340 -0.009 0.000 0.256 364 Q C 0.880 176.963 176.000 0.139 0.000 0.942 364 Q CA 0.031 55.879 55.803 0.075 0.000 0.896 364 Q CB 1.724 30.489 28.738 0.045 0.000 1.272 364 Q HN 1.504 nan 8.270 nan 0.000 0.442 365 G N 0.250 109.123 108.800 0.122 0.000 2.752 365 G HA2 -0.244 3.710 3.960 -0.009 0.000 0.234 365 G HA3 -0.244 3.710 3.960 -0.009 0.000 0.234 365 G C -0.653 174.331 174.900 0.141 0.000 1.367 365 G CA -0.674 44.512 45.100 0.143 0.000 0.879 365 G HN 0.501 nan 8.290 nan 0.000 0.563 366 V N 1.103 121.123 119.914 0.177 0.000 2.406 366 V HA 0.362 4.476 4.120 -0.009 0.000 0.272 366 V C 0.338 176.482 176.094 0.083 0.000 1.043 366 V CA 0.017 62.395 62.300 0.130 0.000 0.915 366 V CB 1.581 33.480 31.823 0.127 0.000 0.988 366 V HN 0.737 nan 8.190 nan 0.000 0.466 367 D N 4.260 124.678 120.400 0.030 0.000 2.435 367 D HA 0.139 4.773 4.640 -0.009 0.000 0.230 367 D C 1.116 177.419 176.300 0.004 0.000 1.215 367 D CA 0.150 54.134 54.000 -0.027 0.000 0.947 367 D CB 1.032 41.811 40.800 -0.035 0.000 1.048 367 D HN 0.613 nan 8.370 nan 0.000 0.512 368 Q N 2.628 122.444 119.800 0.027 0.000 2.172 368 Q HA -0.087 4.247 4.340 -0.009 0.000 0.200 368 Q C 1.739 177.736 176.000 -0.005 0.000 0.964 368 Q CA 0.609 56.438 55.803 0.044 0.000 0.855 368 Q CB 0.501 29.312 28.738 0.122 0.000 0.918 368 Q HN 0.567 nan 8.270 nan 0.000 0.444 369 I N 1.333 121.854 120.570 -0.082 0.000 2.202 369 I HA -0.250 3.914 4.170 -0.009 0.000 0.242 369 I C 2.299 178.368 176.117 -0.080 0.000 1.091 369 I CA 1.421 62.637 61.300 -0.141 0.000 1.368 369 I CB -1.013 36.891 38.000 -0.160 0.000 1.058 369 I HN 0.225 nan 8.210 nan 0.000 0.410 370 K N 1.066 121.440 120.400 -0.044 0.000 2.020 370 K HA -0.217 4.097 4.320 -0.009 0.000 0.212 370 K C 2.191 178.778 176.600 -0.020 0.000 1.050 370 K CA 2.017 58.291 56.287 -0.020 0.000 0.929 370 K CB -0.053 32.449 32.500 0.003 0.000 0.714 370 K HN 0.274 nan 8.250 nan 0.000 0.443 371 A N 1.199 124.014 122.820 -0.009 0.000 1.902 371 A HA -0.146 4.168 4.320 -0.009 0.000 0.217 371 A C 2.105 179.682 177.584 -0.012 0.000 1.181 371 A CA 1.454 53.490 52.037 -0.002 0.000 0.623 371 A CB -0.547 18.461 19.000 0.013 0.000 0.818 371 A HN 0.354 nan 8.150 nan 0.000 0.443 372 I N -0.495 120.065 120.570 -0.016 0.000 2.163 372 I HA -0.243 3.921 4.170 -0.009 0.000 0.243 372 I C 2.368 178.419 176.117 -0.109 0.000 1.085 372 I CA 1.312 62.585 61.300 -0.045 0.000 1.347 372 I CB -0.325 37.651 38.000 -0.041 0.000 1.044 372 I HN 0.164 nan 8.210 nan 0.000 0.408 373 V N 0.512 120.356 119.914 -0.116 0.000 2.332 373 V HA -0.250 3.864 4.120 -0.009 0.000 0.248 373 V C 2.466 178.516 176.094 -0.074 0.000 1.055 373 V CA 1.741 63.972 62.300 -0.114 0.000 1.038 373 V CB -0.591 31.181 31.823 -0.086 0.000 0.651 373 V HN 0.405 nan 8.190 nan 0.000 0.450 374 E N -0.119 120.053 120.200 -0.047 0.000 2.107 374 E HA -0.113 4.231 4.350 -0.009 0.000 0.191 374 E C 2.346 178.927 176.600 -0.032 0.000 0.982 374 E CA 1.556 57.937 56.400 -0.032 0.000 0.809 374 E CB -0.587 29.103 29.700 -0.017 0.000 0.756 374 E HN 0.596 nan 8.360 nan 0.000 0.459 375 T N 1.928 116.464 114.554 -0.030 0.000 2.777 375 T HA -0.050 4.294 4.350 -0.009 0.000 0.266 375 T C 2.123 176.802 174.700 -0.034 0.000 1.040 375 T CA 0.619 62.705 62.100 -0.023 0.000 1.141 375 T CB -0.205 68.658 68.868 -0.008 0.000 0.868 375 T HN 0.075 nan 8.240 nan 0.000 0.444 376 L N 0.372 121.562 121.223 -0.055 0.000 2.127 376 L HA -0.102 4.232 4.340 -0.009 0.000 0.211 376 L C 2.586 179.423 176.870 -0.055 0.000 1.089 376 L CA 1.338 56.139 54.840 -0.065 0.000 0.757 376 L CB -0.361 41.631 42.059 -0.112 0.000 0.899 376 L HN 0.227 nan 8.230 nan 0.000 0.434 377 K N -1.074 119.296 120.400 -0.051 0.000 2.243 377 K HA -0.061 4.254 4.320 -0.009 0.000 0.201 377 K C 2.011 178.591 176.600 -0.034 0.000 1.051 377 K CA 1.642 57.904 56.287 -0.042 0.000 0.970 377 K CB 0.100 32.576 32.500 -0.040 0.000 0.755 377 K HN 0.465 nan 8.250 nan 0.000 0.465 378 T N -2.348 112.188 114.554 -0.030 0.000 3.071 378 T HA 0.038 4.382 4.350 -0.009 0.000 0.239 378 T C 0.734 175.419 174.700 -0.025 0.000 0.997 378 T CA 0.050 62.136 62.100 -0.024 0.000 1.134 378 T CB 0.027 68.883 68.868 -0.019 0.000 0.928 378 T HN -0.115 nan 8.240 nan 0.000 0.453 379 N N 2.351 121.036 118.700 -0.026 0.000 2.804 379 N HA 0.433 5.168 4.740 -0.009 0.000 0.251 379 N C -2.527 172.961 175.510 -0.036 0.000 1.250 379 N CA -2.390 50.644 53.050 -0.027 0.000 0.820 379 N CB 1.741 40.216 38.487 -0.019 0.000 1.156 379 N HN 0.002 nan 8.380 nan 0.000 0.512 380 P HA -0.012 nan 4.420 nan 0.000 0.220 380 P C 0.245 177.484 177.300 -0.102 0.000 1.148 380 P CA 0.945 64.003 63.100 -0.071 0.000 0.803 380 P CB 0.451 32.105 31.700 -0.077 0.000 0.782 381 D N -0.930 119.419 120.400 -0.086 0.000 2.363 381 D HA -0.039 4.595 4.640 -0.009 0.000 0.220 381 D C 0.349 176.618 176.300 -0.052 0.000 0.994 381 D CA 0.468 54.411 54.000 -0.095 0.000 0.890 381 D CB -0.831 39.930 40.800 -0.064 0.000 0.906 381 D HN 0.240 nan 8.370 nan 0.000 0.530 382 D N 0.155 120.537 120.400 -0.029 0.000 2.506 382 D HA -0.057 4.578 4.640 -0.009 0.000 0.234 382 D C 0.761 177.076 176.300 0.025 0.000 1.143 382 D CA 0.395 54.395 54.000 0.000 0.000 0.871 382 D CB 0.642 41.445 40.800 0.006 0.000 1.190 382 D HN -0.081 nan 8.370 nan 0.000 0.459 383 R N 2.447 122.969 120.500 0.035 0.000 2.546 383 R HA 0.227 4.561 4.340 -0.009 0.000 0.320 383 R C 0.577 176.905 176.300 0.047 0.000 1.021 383 R CA -0.053 56.081 56.100 0.055 0.000 1.088 383 R CB 0.571 30.901 30.300 0.050 0.000 1.278 383 R HN 0.322 nan 8.270 nan 0.000 0.557 384 R N 0.062 120.589 120.500 0.044 0.000 2.565 384 R HA 0.292 4.627 4.340 -0.009 0.000 0.347 384 R C 0.085 176.420 176.300 0.058 0.000 1.010 384 R CA -0.156 55.965 56.100 0.036 0.000 1.126 384 R CB 0.597 30.910 30.300 0.021 0.000 1.331 384 R HN 0.015 nan 8.270 nan 0.000 0.552 385 M N 2.003 121.660 119.600 0.095 0.000 3.442 385 M HA 0.165 4.639 4.480 -0.009 0.000 0.232 385 M C -1.043 175.390 176.300 0.222 0.000 1.508 385 M CA 0.325 55.720 55.300 0.158 0.000 1.647 385 M CB -0.119 32.591 32.600 0.183 0.000 1.126 385 M HN -0.085 nan 8.290 nan 0.000 0.557 386 L N 1.937 123.245 121.223 0.141 0.000 2.370 386 L HA 0.725 5.059 4.340 -0.009 0.000 0.266 386 L C -0.534 176.415 176.870 0.132 0.000 1.002 386 L CA -0.511 54.367 54.840 0.063 0.000 0.818 386 L CB 1.671 43.710 42.059 -0.034 0.000 1.325 386 L HN 0.368 nan 8.230 nan 0.000 0.418 387 F N -1.034 118.916 119.950 -0.000 0.000 2.561 387 F HA 0.921 5.442 4.527 -0.010 0.000 0.321 387 F C -0.254 175.540 175.800 -0.010 0.000 1.065 387 F CA -0.711 57.266 58.000 -0.039 0.000 0.934 387 F CB 2.017 40.948 39.000 -0.115 0.000 1.215 387 F HN 0.378 nan 8.300 nan 0.000 0.471 388 T N 0.425 115.127 114.554 0.247 0.000 2.909 388 T HA 0.668 5.012 4.350 -0.009 0.000 0.299 388 T C -0.083 174.976 174.700 0.599 0.000 1.073 388 T CA -0.034 62.244 62.100 0.296 0.000 0.999 388 T CB 1.641 70.638 68.868 0.216 0.000 1.098 388 T HN 1.076 nan 8.240 nan 0.000 0.477 389 A N 2.848 126.034 122.820 0.610 0.000 2.343 389 A HA 0.271 4.585 4.320 -0.009 0.000 0.223 389 A C 0.602 178.417 177.584 0.385 0.000 1.214 389 A CA -0.493 51.874 52.037 0.550 0.000 0.900 389 A CB 0.088 19.392 19.000 0.507 0.000 0.942 389 A HN 0.803 nan 8.150 nan 0.000 0.507 390 W N 2.427 123.880 121.300 0.255 0.000 2.430 390 W HA 0.275 4.929 4.660 -0.010 0.000 0.380 390 W C -0.741 175.917 176.519 0.232 0.000 1.045 390 W CA -0.294 57.155 57.345 0.174 0.000 1.547 390 W CB 0.178 29.718 29.460 0.133 0.000 1.554 390 W HN 0.258 nan 8.180 nan 0.000 0.378 391 N N 6.969 125.602 118.700 -0.111 0.000 2.626 391 N HA 0.228 4.962 4.740 -0.009 0.000 0.242 391 N C -1.855 173.485 175.510 -0.283 0.000 1.005 391 N CA -2.183 50.804 53.050 -0.104 0.000 0.905 391 N CB 1.538 39.782 38.487 -0.405 0.000 1.128 391 N HN 0.034 nan 8.380 nan 0.000 0.512 392 P HA -0.116 nan 4.420 nan 0.000 0.217 392 P C 0.997 178.207 177.300 -0.150 0.000 1.151 392 P CA 1.285 64.268 63.100 -0.195 0.000 0.849 392 P CB 0.397 32.090 31.700 -0.013 0.000 0.787 393 S N -0.831 114.807 115.700 -0.102 0.000 2.399 393 S HA -0.091 4.373 4.470 -0.009 0.000 0.231 393 S C 1.951 176.470 174.600 -0.134 0.000 1.022 393 S CA 1.407 59.553 58.200 -0.090 0.000 0.983 393 S CB -0.732 62.435 63.200 -0.055 0.000 0.803 393 S HN 0.196 nan 8.310 nan 0.000 0.480 394 A N 0.697 123.398 122.820 -0.199 0.000 2.169 394 A HA 0.364 4.678 4.320 -0.009 0.000 0.210 394 A C 1.870 179.311 177.584 -0.239 0.000 1.168 394 A CA -0.030 51.877 52.037 -0.216 0.000 0.813 394 A CB -0.369 18.474 19.000 -0.260 0.000 0.861 394 A HN 0.384 nan 8.150 nan 0.000 0.481 395 L N -0.027 121.022 121.223 -0.289 0.000 1.997 395 L HA -0.189 4.145 4.340 -0.009 0.000 0.216 395 L C -0.526 176.224 176.870 -0.200 0.000 1.074 395 L CA 1.899 56.553 54.840 -0.310 0.000 0.763 395 L CB -1.723 40.082 42.059 -0.424 0.000 0.890 395 L HN 0.228 nan 8.230 nan 0.000 0.434 396 P HA -0.133 nan 4.420 nan 0.000 0.221 396 P C 1.112 178.341 177.300 -0.118 0.000 1.145 396 P CA 1.058 64.086 63.100 -0.121 0.000 0.795 396 P CB -0.026 31.613 31.700 -0.103 0.000 0.775 397 R N -1.640 118.785 120.500 -0.125 0.000 2.297 397 R HA 0.230 4.564 4.340 -0.009 0.000 0.197 397 R C 0.950 177.218 176.300 -0.053 0.000 0.943 397 R CA 0.266 56.309 56.100 -0.094 0.000 1.038 397 R CB -0.584 29.659 30.300 -0.095 0.000 0.957 397 R HN 0.365 nan 8.270 nan 0.000 0.484 398 M N -0.666 118.875 119.600 -0.097 0.000 2.314 398 M HA 0.287 4.762 4.480 -0.009 0.000 0.342 398 M C 1.354 177.685 176.300 0.051 0.000 1.171 398 M CA -0.324 54.931 55.300 -0.075 0.000 1.098 398 M CB 1.637 34.152 32.600 -0.141 0.000 1.559 398 M HN -0.069 nan 8.290 nan 0.000 0.459 399 A N 2.380 125.286 122.820 0.143 0.000 1.933 399 A HA 0.050 4.364 4.320 -0.009 0.000 0.218 399 A C 0.472 178.293 177.584 0.395 0.000 1.175 399 A CA 1.530 53.758 52.037 0.318 0.000 0.628 399 A CB 0.054 19.294 19.000 0.400 0.000 0.814 399 A HN 0.579 nan 8.150 nan 0.000 0.444 400 L N -1.448 119.944 121.223 0.282 0.000 2.513 400 L HA 0.502 4.837 4.340 -0.009 0.000 0.261 400 L C -2.820 174.111 176.870 0.101 0.000 0.945 400 L CA -1.952 53.049 54.840 0.267 0.000 0.848 400 L CB 2.199 44.487 42.059 0.381 0.000 1.334 400 L HN -0.139 nan 8.230 nan 0.000 0.407 401 P HA 0.279 nan 4.420 nan 0.000 0.271 401 P C -2.611 174.715 177.300 0.044 0.000 1.218 401 P CA -1.024 62.056 63.100 -0.033 0.000 0.780 401 P CB -0.240 31.469 31.700 0.015 0.000 0.901 402 P HA -0.018 nan 4.420 nan 0.000 0.268 402 P C 0.282 177.739 177.300 0.262 0.000 1.205 402 P CA -0.008 62.985 63.100 -0.177 0.000 0.771 402 P CB 0.682 32.287 31.700 -0.158 0.000 0.858 403 C N 2.653 122.146 119.300 0.322 0.000 2.684 403 C HA 0.037 4.492 4.460 -0.009 0.000 0.283 403 C C 1.142 176.347 174.990 0.357 0.000 1.346 403 C CA 0.550 59.779 59.018 0.352 0.000 1.707 403 C CB -1.615 26.357 27.740 0.388 0.000 2.137 403 C HN 0.742 nan 8.230 nan 0.000 0.544 404 H N 1.386 120.744 119.070 0.480 0.000 2.934 404 H HA 0.446 4.996 4.556 -0.010 0.000 0.273 404 H C 0.384 176.019 175.328 0.512 0.000 1.121 404 H CA -0.116 56.153 56.048 0.368 0.000 1.451 404 H CB 0.060 30.019 29.762 0.328 0.000 1.469 404 H HN 0.448 nan 8.280 nan 0.000 0.476 405 L N 1.550 123.003 121.223 0.384 0.000 2.701 405 L HA 0.451 4.785 4.340 -0.009 0.000 0.238 405 L C -0.145 176.895 176.870 0.282 0.000 1.106 405 L CA -0.101 54.976 54.840 0.394 0.000 0.898 405 L CB 0.420 42.710 42.059 0.385 0.000 1.188 405 L HN 0.548 nan 8.230 nan 0.000 0.508 406 L N 0.494 121.781 121.223 0.108 0.000 2.505 406 L HA 0.937 5.272 4.340 -0.009 0.000 0.259 406 L C -1.763 174.882 176.870 -0.375 0.000 0.952 406 L CA -0.422 54.338 54.840 -0.135 0.000 0.840 406 L CB 2.027 44.034 42.059 -0.087 0.000 1.358 406 L HN 0.033 nan 8.230 nan 0.000 0.409 407 A N 3.627 126.001 122.820 -0.744 0.000 2.486 407 A HA 0.710 5.024 4.320 -0.009 0.000 0.300 407 A C -1.723 175.465 177.584 -0.660 0.000 1.048 407 A CA -0.483 51.083 52.037 -0.785 0.000 0.696 407 A CB 2.059 20.465 19.000 -0.991 0.000 1.278 407 A HN 0.711 nan 8.150 nan 0.000 0.405 408 Q N 1.093 120.584 119.800 -0.514 0.000 2.375 408 Q HA 0.736 5.070 4.340 -0.009 0.000 0.271 408 Q C -1.890 173.881 176.000 -0.382 0.000 1.074 408 Q CA -0.497 55.127 55.803 -0.299 0.000 0.808 408 Q CB 1.441 30.092 28.738 -0.147 0.000 1.327 408 Q HN 0.613 nan 8.270 nan 0.000 0.441 409 F N 1.835 121.819 119.950 0.057 0.000 2.483 409 F HA 0.593 5.114 4.527 -0.010 0.000 0.329 409 F C -0.783 175.119 175.800 0.170 0.000 1.064 409 F CA -0.573 57.490 58.000 0.105 0.000 0.986 409 F CB 1.474 40.529 39.000 0.092 0.000 1.218 409 F HN 0.523 nan 8.300 nan 0.000 0.484 410 Y N 0.532 120.963 120.300 0.219 0.000 2.482 410 Y HA 0.649 5.193 4.550 -0.009 0.000 0.334 410 Y C -1.938 174.026 175.900 0.107 0.000 1.091 410 Y CA -1.043 57.125 58.100 0.114 0.000 1.027 410 Y CB 1.578 40.074 38.460 0.060 0.000 1.306 410 Y HN 0.340 nan 8.280 nan 0.000 0.446 411 V N 5.012 124.725 119.914 -0.334 0.000 2.487 411 V HA 0.742 4.856 4.120 -0.009 0.000 0.298 411 V C -1.058 174.843 176.094 -0.322 0.000 1.028 411 V CA -0.400 61.782 62.300 -0.197 0.000 0.860 411 V CB 1.648 33.394 31.823 -0.129 0.000 0.991 411 V HN 0.786 nan 8.190 nan 0.000 0.427 412 S N 2.194 117.849 115.700 -0.075 0.000 2.572 412 S HA 0.535 5.000 4.470 -0.009 0.000 0.274 412 S C -0.323 174.289 174.600 0.021 0.000 1.150 412 S CA -0.829 57.357 58.200 -0.022 0.000 0.944 412 S CB 1.126 64.396 63.200 0.116 0.000 1.071 412 S HN 0.851 nan 8.310 nan 0.000 0.479 413 N N 1.398 120.102 118.700 0.006 0.000 2.727 413 N HA -0.150 4.585 4.740 -0.009 0.000 0.249 413 N C 0.883 176.401 175.510 0.013 0.000 1.048 413 N CA 0.979 54.038 53.050 0.014 0.000 0.714 413 N CB -1.393 37.111 38.487 0.028 0.000 0.959 413 N HN 1.849 nan 8.380 nan 0.000 0.544 414 G N -1.040 107.761 108.800 0.000 0.000 2.168 414 G HA2 -0.353 3.601 3.960 -0.009 0.000 0.257 414 G HA3 -0.353 3.601 3.960 -0.009 0.000 0.257 414 G C -0.257 174.652 174.900 0.016 0.000 0.997 414 G CA 0.801 45.901 45.100 0.001 0.000 0.708 414 G HN 0.611 nan 8.290 nan 0.000 0.520 415 E N -0.877 119.342 120.200 0.031 0.000 2.183 415 E HA 0.584 4.928 4.350 -0.009 0.000 0.271 415 E C -0.531 176.118 176.600 0.081 0.000 0.919 415 E CA -1.085 55.349 56.400 0.057 0.000 0.781 415 E CB 2.068 31.810 29.700 0.070 0.000 1.140 415 E HN 0.136 nan 8.360 nan 0.000 0.402 416 L N 2.207 123.488 121.223 0.097 0.000 2.265 416 L HA 0.329 4.663 4.340 -0.009 0.000 0.288 416 L C -0.807 176.187 176.870 0.208 0.000 1.058 416 L CA 0.219 55.150 54.840 0.151 0.000 0.809 416 L CB 1.180 43.316 42.059 0.128 0.000 1.179 416 L HN 0.336 nan 8.230 nan 0.000 0.429 417 S N 3.729 119.587 115.700 0.264 0.000 2.537 417 S HA 0.647 5.112 4.470 -0.009 0.000 0.301 417 S C -1.195 173.524 174.600 0.199 0.000 1.092 417 S CA -0.574 57.759 58.200 0.222 0.000 1.048 417 S CB 1.498 64.820 63.200 0.203 0.000 1.053 417 S HN 0.818 nan 8.310 nan 0.000 0.501 418 C N 3.988 123.320 119.300 0.053 0.000 2.547 418 C HA 0.793 5.247 4.460 -0.009 0.000 0.313 418 C C -0.573 174.311 174.990 -0.177 0.000 1.191 418 C CA -0.749 58.156 59.018 -0.189 0.000 1.474 418 C CB 0.526 28.132 27.740 -0.224 0.000 2.081 418 C HN 0.971 nan 8.230 nan 0.000 0.476 419 M N 6.223 125.664 119.600 -0.266 0.000 2.167 419 M HA 0.667 5.141 4.480 -0.009 0.000 0.333 419 M C -1.261 174.862 176.300 -0.295 0.000 1.030 419 M CA -0.382 54.792 55.300 -0.209 0.000 0.963 419 M CB 1.255 33.761 32.600 -0.157 0.000 1.589 419 M HN 0.728 nan 8.290 nan 0.000 0.431 420 L N 6.142 127.186 121.223 -0.298 0.000 2.295 420 L HA 0.517 4.851 4.340 -0.009 0.000 0.285 420 L C -2.031 174.727 176.870 -0.186 0.000 1.035 420 L CA -0.228 54.351 54.840 -0.435 0.000 0.806 420 L CB 1.129 42.707 42.059 -0.802 0.000 1.214 420 L HN 0.746 nan 8.230 nan 0.000 0.426 421 Y N 4.257 124.416 120.300 -0.235 0.000 2.335 421 Y HA 0.505 5.049 4.550 -0.009 0.000 0.339 421 Y C -0.497 175.379 175.900 -0.040 0.000 0.987 421 Y CA -0.117 57.915 58.100 -0.113 0.000 1.140 421 Y CB 1.017 39.402 38.460 -0.125 0.000 1.173 421 Y HN 0.746 nan 8.280 nan 0.000 0.486 422 Q N 6.516 126.050 119.800 -0.444 0.000 2.325 422 Q HA 0.296 4.631 4.340 -0.009 0.000 0.270 422 Q C 0.450 176.264 176.000 -0.310 0.000 1.020 422 Q CA -0.786 54.929 55.803 -0.147 0.000 0.785 422 Q CB 1.194 29.988 28.738 0.094 0.000 1.259 422 Q HN 0.974 nan 8.270 nan 0.000 0.452 423 R N 1.242 121.719 120.500 -0.039 0.000 2.115 423 R HA 0.105 4.439 4.340 -0.009 0.000 0.226 423 R C 0.428 176.777 176.300 0.083 0.000 1.100 423 R CA 0.688 56.810 56.100 0.037 0.000 0.980 423 R CB 0.217 30.573 30.300 0.094 0.000 0.875 423 R HN 0.277 nan 8.270 nan 0.000 0.445 424 S N -0.094 115.682 115.700 0.126 0.000 2.672 424 S HA 0.444 4.909 4.470 -0.009 0.000 0.291 424 S C -1.419 173.265 174.600 0.139 0.000 1.145 424 S CA -0.881 57.442 58.200 0.204 0.000 1.013 424 S CB 1.523 64.888 63.200 0.276 0.000 1.017 424 S HN 0.353 nan 8.310 nan 0.000 0.487 425 C N 4.160 123.427 119.300 -0.055 0.000 2.386 425 C HA 0.435 4.889 4.460 -0.009 0.000 0.318 425 C C -0.204 174.403 174.990 -0.640 0.000 1.128 425 C CA -1.112 57.784 59.018 -0.203 0.000 1.438 425 C CB -0.386 27.262 27.740 -0.153 0.000 1.987 425 C HN 0.942 nan 8.230 nan 0.000 0.426 426 D N 3.288 123.467 120.400 -0.368 0.000 2.344 426 D HA 0.178 4.812 4.640 -0.009 0.000 0.253 426 D C 1.312 177.608 176.300 -0.007 0.000 1.255 426 D CA -0.182 53.703 54.000 -0.192 0.000 0.894 426 D CB 0.686 41.612 40.800 0.210 0.000 1.067 426 D HN 0.355 nan 8.370 nan 0.000 0.492 427 M N 3.063 122.655 119.600 -0.014 0.000 2.213 427 M HA 0.025 4.499 4.480 -0.009 0.000 0.263 427 M C 2.011 178.469 176.300 0.263 0.000 1.062 427 M CA 1.003 56.370 55.300 0.111 0.000 1.105 427 M CB -1.140 31.451 32.600 -0.016 0.000 1.385 427 M HN 0.583 nan 8.290 nan 0.000 0.417 428 G N -0.278 108.665 108.800 0.238 0.000 2.404 428 G HA2 -0.068 3.886 3.960 -0.009 0.000 0.215 428 G HA3 -0.068 3.886 3.960 -0.009 0.000 0.215 428 G C 1.536 176.579 174.900 0.239 0.000 1.174 428 G CA 0.689 45.956 45.100 0.278 0.000 0.780 428 G HN 0.381 nan 8.290 nan 0.000 0.537 429 L N -0.714 120.629 121.223 0.199 0.000 2.614 429 L HA 0.448 4.783 4.340 -0.009 0.000 0.185 429 L C 2.768 179.736 176.870 0.163 0.000 1.098 429 L CA 1.400 56.337 54.840 0.160 0.000 0.852 429 L CB -0.598 41.517 42.059 0.093 0.000 1.213 429 L HN 0.153 nan 8.230 nan 0.000 0.491 430 G N -0.537 108.341 108.800 0.130 0.000 2.418 430 G HA2 -0.172 3.783 3.960 -0.009 0.000 0.217 430 G HA3 -0.172 3.783 3.960 -0.009 0.000 0.217 430 G C 1.440 176.476 174.900 0.227 0.000 1.158 430 G CA 1.257 46.442 45.100 0.142 0.000 0.771 430 G HN 0.235 nan 8.290 nan 0.000 0.545 431 V N 2.059 122.103 119.914 0.217 0.000 2.237 431 V HA -0.103 4.011 4.120 -0.009 0.000 0.245 431 V C 0.413 176.635 176.094 0.213 0.000 1.046 431 V CA 2.311 64.768 62.300 0.261 0.000 1.007 431 V CB -1.087 30.892 31.823 0.260 0.000 0.638 431 V HN 0.278 nan 8.190 nan 0.000 0.445 432 P HA -0.197 nan 4.420 nan 0.000 0.216 432 P C 1.721 179.049 177.300 0.046 0.000 1.153 432 P CA 1.574 64.666 63.100 -0.013 0.000 0.858 432 P CB -0.145 31.543 31.700 -0.019 0.000 0.789 433 F N 0.603 120.561 119.950 0.013 0.000 2.095 433 F HA -0.211 4.311 4.527 -0.009 0.000 0.298 433 F C 1.916 177.712 175.800 -0.006 0.000 1.104 433 F CA 1.666 59.673 58.000 0.011 0.000 1.232 433 F CB -0.616 38.406 39.000 0.036 0.000 0.987 433 F HN -0.141 nan 8.300 nan 0.000 0.475 434 N N 0.643 119.511 118.700 0.280 0.000 2.270 434 N HA -0.125 4.610 4.740 -0.009 0.000 0.181 434 N C 2.075 177.605 175.510 0.033 0.000 1.016 434 N CA 1.371 54.523 53.050 0.171 0.000 0.870 434 N CB -0.339 38.245 38.487 0.163 0.000 0.979 434 N HN 0.314 nan 8.380 nan 0.000 0.431 435 I N 1.169 121.708 120.570 -0.050 0.000 2.151 435 I HA -0.254 3.910 4.170 -0.009 0.000 0.243 435 I C 2.280 178.273 176.117 -0.206 0.000 1.080 435 I CA 1.218 62.393 61.300 -0.209 0.000 1.339 435 I CB -1.060 36.679 38.000 -0.435 0.000 1.039 435 I HN 0.040 nan 8.210 nan 0.000 0.409 436 A N 0.689 123.388 122.820 -0.202 0.000 1.898 436 A HA -0.147 4.167 4.320 -0.009 0.000 0.216 436 A C 2.580 180.110 177.584 -0.089 0.000 1.181 436 A CA 1.975 53.916 52.037 -0.160 0.000 0.620 436 A CB -0.689 18.214 19.000 -0.163 0.000 0.819 436 A HN 0.432 nan 8.150 nan 0.000 0.442 437 S N -1.077 114.540 115.700 -0.138 0.000 2.353 437 S HA -0.190 4.274 4.470 -0.009 0.000 0.222 437 S C 1.769 176.301 174.600 -0.114 0.000 1.035 437 S CA 1.798 59.915 58.200 -0.137 0.000 1.025 437 S CB -0.596 62.558 63.200 -0.077 0.000 0.902 437 S HN 0.676 nan 8.310 nan 0.000 0.440 438 Y N 1.376 121.652 120.300 -0.041 0.000 2.516 438 Y HA 0.216 4.760 4.550 -0.010 0.000 0.291 438 Y C 2.409 178.314 175.900 0.009 0.000 1.131 438 Y CA 0.154 58.253 58.100 -0.001 0.000 1.281 438 Y CB -0.566 37.845 38.460 -0.080 0.000 1.013 438 Y HN 0.259 nan 8.280 nan 0.000 0.554 439 A N -0.027 122.836 122.820 0.071 0.000 1.858 439 A HA -0.180 4.134 4.320 -0.009 0.000 0.216 439 A C 2.130 179.759 177.584 0.075 0.000 1.190 439 A CA 1.623 53.680 52.037 0.033 0.000 0.617 439 A CB -1.023 17.930 19.000 -0.078 0.000 0.827 439 A HN 0.392 nan 8.150 nan 0.000 0.443 440 L N -0.619 120.658 121.223 0.089 0.000 2.012 440 L HA -0.140 4.194 4.340 -0.009 0.000 0.210 440 L C 2.274 179.208 176.870 0.106 0.000 1.073 440 L CA 2.180 57.099 54.840 0.133 0.000 0.748 440 L CB -0.729 41.399 42.059 0.116 0.000 0.891 440 L HN 0.368 nan 8.230 nan 0.000 0.431 441 L N -0.815 120.452 121.223 0.072 0.000 1.990 441 L HA -0.230 4.105 4.340 -0.009 0.000 0.213 441 L C 2.349 179.324 176.870 0.175 0.000 1.072 441 L CA 2.660 57.563 54.840 0.105 0.000 0.755 441 L CB -1.223 40.868 42.059 0.054 0.000 0.889 441 L HN 0.394 nan 8.230 nan 0.000 0.432 442 T N -0.137 114.552 114.554 0.225 0.000 2.746 442 T HA -0.158 4.186 4.350 -0.009 0.000 0.267 442 T C 1.997 176.790 174.700 0.155 0.000 1.039 442 T CA 1.940 64.207 62.100 0.279 0.000 1.142 442 T CB -0.407 68.618 68.868 0.261 0.000 0.866 442 T HN 0.335 nan 8.240 nan 0.000 0.444 443 I N 0.631 121.274 120.570 0.122 0.000 2.208 443 I HA -0.161 4.003 4.170 -0.009 0.000 0.245 443 I C 2.259 178.384 176.117 0.014 0.000 1.097 443 I CA 1.266 62.623 61.300 0.094 0.000 1.363 443 I CB -0.350 37.746 38.000 0.159 0.000 1.051 443 I HN 0.197 nan 8.210 nan 0.000 0.413 444 L N -0.096 121.132 121.223 0.009 0.000 2.056 444 L HA -0.194 4.141 4.340 -0.009 0.000 0.207 444 L C 2.443 179.246 176.870 -0.113 0.000 1.078 444 L CA 0.912 55.684 54.840 -0.113 0.000 0.749 444 L CB -0.408 41.602 42.059 -0.082 0.000 0.901 444 L HN 0.208 nan 8.230 nan 0.000 0.433 445 I N 0.203 120.736 120.570 -0.061 0.000 2.315 445 I HA -0.215 3.949 4.170 -0.009 0.000 0.248 445 I C 2.828 178.870 176.117 -0.125 0.000 1.117 445 I CA 1.421 62.642 61.300 -0.131 0.000 1.404 445 I CB -1.587 36.261 38.000 -0.253 0.000 1.071 445 I HN 0.166 nan 8.210 nan 0.000 0.419 446 A N 1.209 123.990 122.820 -0.065 0.000 1.883 446 A HA -0.235 4.079 4.320 -0.009 0.000 0.217 446 A C 2.375 179.910 177.584 -0.080 0.000 1.186 446 A CA 1.763 53.770 52.037 -0.049 0.000 0.624 446 A CB -0.531 18.469 19.000 0.001 0.000 0.822 446 A HN 0.363 nan 8.150 nan 0.000 0.444 447 K N -0.344 119.982 120.400 -0.122 0.000 2.097 447 K HA 0.017 4.331 4.320 -0.009 0.000 0.205 447 K C 2.103 178.632 176.600 -0.119 0.000 1.050 447 K CA 1.030 57.222 56.287 -0.159 0.000 0.938 447 K CB -0.287 32.031 32.500 -0.304 0.000 0.718 447 K HN 0.433 nan 8.250 nan 0.000 0.442 448 A N 0.985 123.739 122.820 -0.110 0.000 2.121 448 A HA -0.093 4.221 4.320 -0.009 0.000 0.218 448 A C 1.856 179.396 177.584 -0.073 0.000 1.154 448 A CA 1.719 53.712 52.037 -0.074 0.000 0.679 448 A CB -0.466 18.494 19.000 -0.067 0.000 0.795 448 A HN 0.432 nan 8.150 nan 0.000 0.458 449 T N -5.810 108.695 114.554 -0.083 0.000 3.043 449 T HA 0.438 4.782 4.350 -0.009 0.000 0.272 449 T C 1.146 175.810 174.700 -0.059 0.000 0.990 449 T CA 0.930 62.985 62.100 -0.075 0.000 0.897 449 T CB 0.201 69.010 68.868 -0.097 0.000 1.111 449 T HN 1.601 nan 8.240 nan 0.000 0.529 450 G N 1.599 110.365 108.800 -0.056 0.000 2.176 450 G HA2 -0.204 3.750 3.960 -0.009 0.000 0.252 450 G HA3 -0.204 3.750 3.960 -0.009 0.000 0.252 450 G C -0.183 174.697 174.900 -0.035 0.000 1.024 450 G CA 0.384 45.457 45.100 -0.044 0.000 0.755 450 G HN 0.648 nan 8.290 nan 0.000 0.507 451 L N -1.045 120.157 121.223 -0.035 0.000 2.322 451 L HA 0.666 5.000 4.340 -0.009 0.000 0.269 451 L C 1.097 177.964 176.870 -0.006 0.000 1.012 451 L CA -1.291 53.538 54.840 -0.017 0.000 0.815 451 L CB 1.305 43.356 42.059 -0.014 0.000 1.295 451 L HN 0.064 nan 8.230 nan 0.000 0.438 452 R N 1.668 122.174 120.500 0.011 0.000 2.459 452 R HA 0.312 4.647 4.340 -0.009 0.000 0.281 452 R C -2.355 173.973 176.300 0.045 0.000 1.050 452 R CA -1.578 54.538 56.100 0.026 0.000 1.055 452 R CB 0.662 30.981 30.300 0.031 0.000 1.045 452 R HN 0.300 nan 8.270 nan 0.000 0.495 453 P HA 0.045 nan 4.420 nan 0.000 0.275 453 P C -0.425 176.925 177.300 0.084 0.000 1.227 453 P CA 0.027 63.175 63.100 0.079 0.000 0.781 453 P CB 1.416 33.165 31.700 0.083 0.000 0.906 454 G N 2.123 110.984 108.800 0.101 0.000 2.930 454 G HA2 0.227 4.181 3.960 -0.009 0.000 0.209 454 G HA3 0.227 4.181 3.960 -0.009 0.000 0.209 454 G C -0.609 174.348 174.900 0.096 0.000 2.018 454 G CA 0.210 45.369 45.100 0.098 0.000 0.751 454 G HN 0.511 nan 8.290 nan 0.000 0.770 455 E N -0.765 119.496 120.200 0.102 0.000 2.199 455 E HA 0.569 4.913 4.350 -0.009 0.000 0.269 455 E C -1.429 175.227 176.600 0.093 0.000 0.899 455 E CA -0.663 55.789 56.400 0.087 0.000 0.772 455 E CB 1.859 31.592 29.700 0.056 0.000 1.155 455 E HN 0.236 nan 8.360 nan 0.000 0.408 456 L N 5.148 126.443 121.223 0.119 0.000 2.264 456 L HA 0.505 4.840 4.340 -0.009 0.000 0.289 456 L C -1.456 175.492 176.870 0.130 0.000 1.044 456 L CA -0.566 54.348 54.840 0.124 0.000 0.807 456 L CB 1.281 43.438 42.059 0.162 0.000 1.192 456 L HN 0.417 nan 8.230 nan 0.000 0.425 457 V N 5.182 125.126 119.914 0.051 0.000 2.459 457 V HA 0.353 4.468 4.120 -0.009 0.000 0.295 457 V C -0.566 175.570 176.094 0.071 0.000 1.029 457 V CA -0.594 61.727 62.300 0.036 0.000 0.874 457 V CB 1.318 33.117 31.823 -0.039 0.000 0.985 457 V HN 0.808 nan 8.190 nan 0.000 0.438 458 H N 2.524 121.596 119.070 0.003 0.000 2.638 458 H HA 0.445 4.995 4.556 -0.010 0.000 0.317 458 H C -0.545 174.736 175.328 -0.079 0.000 1.006 458 H CA -0.484 55.553 56.048 -0.018 0.000 1.222 458 H CB 1.019 30.849 29.762 0.114 0.000 1.419 458 H HN 0.688 nan 8.280 nan 0.000 0.489 459 T N 6.545 121.166 114.554 0.112 0.000 2.743 459 T HA 0.246 4.590 4.350 -0.009 0.000 0.293 459 T C -0.387 174.163 174.700 -0.250 0.000 0.945 459 T CA -0.561 61.486 62.100 -0.089 0.000 1.030 459 T CB 0.427 69.262 68.868 -0.055 0.000 0.912 459 T HN 0.308 nan 8.240 nan 0.000 0.483 460 L N 2.782 123.805 121.223 -0.333 0.000 2.317 460 L HA 0.617 4.952 4.340 -0.009 0.000 0.281 460 L C 1.224 177.853 176.870 -0.401 0.000 1.024 460 L CA -0.225 54.394 54.840 -0.369 0.000 0.810 460 L CB 1.380 43.239 42.059 -0.333 0.000 1.240 460 L HN 0.769 nan 8.230 nan 0.000 0.427 461 G N 0.549 109.128 108.800 -0.367 0.000 2.542 461 G HA2 -0.060 3.895 3.960 -0.009 0.000 0.211 461 G HA3 -0.060 3.895 3.960 -0.009 0.000 0.211 461 G C -0.156 174.773 174.900 0.048 0.000 1.702 461 G CA -0.013 44.961 45.100 -0.211 0.000 0.935 461 G HN 0.581 nan 8.290 nan 0.000 0.509 462 D N 1.807 122.351 120.400 0.240 0.000 2.374 462 D HA 0.454 5.088 4.640 -0.009 0.000 0.240 462 D C -0.141 176.260 176.300 0.168 0.000 1.229 462 D CA -0.200 53.972 54.000 0.286 0.000 0.895 462 D CB 0.543 41.501 40.800 0.264 0.000 1.046 462 D HN 0.271 nan 8.370 nan 0.000 0.498 463 A N 5.513 128.371 122.820 0.063 0.000 2.260 463 A HA 0.525 4.840 4.320 -0.009 0.000 0.314 463 A C -0.348 177.208 177.584 -0.046 0.000 1.257 463 A CA -0.617 51.365 52.037 -0.090 0.000 0.871 463 A CB 0.568 19.495 19.000 -0.121 0.000 1.166 463 A HN 0.748 nan 8.150 nan 0.000 0.522 464 H N -0.178 118.862 119.070 -0.049 0.000 2.961 464 H HA 0.744 5.294 4.556 -0.010 0.000 0.371 464 H C -1.919 173.357 175.328 -0.087 0.000 1.190 464 H CA -1.017 54.970 56.048 -0.103 0.000 1.138 464 H CB 1.266 30.919 29.762 -0.182 0.000 1.816 464 H HN 0.321 nan 8.280 nan 0.000 0.551 465 V N 2.244 122.177 119.914 0.033 0.000 2.604 465 V HA 0.169 4.283 4.120 -0.009 0.000 0.305 465 V C -0.767 175.302 176.094 -0.042 0.000 1.043 465 V CA -0.810 61.520 62.300 0.051 0.000 0.888 465 V CB 1.479 33.327 31.823 0.043 0.000 0.995 465 V HN 0.624 nan 8.190 nan 0.000 0.429 466 Y N 1.904 122.190 120.300 -0.022 0.000 2.425 466 Y HA 0.061 4.608 4.550 -0.007 0.000 0.331 466 Y C 1.889 177.770 175.900 -0.032 0.000 1.157 466 Y CA 0.597 58.632 58.100 -0.109 0.000 1.372 466 Y CB 1.125 39.383 38.460 -0.337 0.000 1.253 466 Y HN 0.697 nan 8.280 nan 0.000 0.536 467 S N 1.527 117.261 115.700 0.057 0.000 2.400 467 S HA -0.197 4.267 4.470 -0.009 0.000 0.232 467 S C 1.633 176.302 174.600 0.116 0.000 1.025 467 S CA 1.398 59.630 58.200 0.053 0.000 0.993 467 S CB -0.302 62.901 63.200 0.004 0.000 0.808 467 S HN 0.825 nan 8.310 nan 0.000 0.478 468 N N 0.545 119.346 118.700 0.167 0.000 2.515 468 N HA -0.083 4.651 4.740 -0.009 0.000 0.191 468 N C 0.476 176.204 175.510 0.362 0.000 1.182 468 N CA 0.595 53.770 53.050 0.209 0.000 0.879 468 N CB -0.359 38.240 38.487 0.187 0.000 0.984 468 N HN 0.593 nan 8.380 nan 0.000 0.453 469 H N -1.007 118.119 119.070 0.094 0.000 3.058 469 H HA 0.206 4.756 4.556 -0.010 0.000 0.266 469 H C 1.331 176.694 175.328 0.059 0.000 1.135 469 H CA -0.255 55.843 56.048 0.082 0.000 1.174 469 H CB 1.120 30.956 29.762 0.124 0.000 1.581 469 H HN 0.003 nan 8.280 nan 0.000 0.553 470 V N 1.204 121.212 119.914 0.156 0.000 2.295 470 V HA -0.268 3.847 4.120 -0.009 0.000 0.246 470 V C 2.368 178.493 176.094 0.052 0.000 1.049 470 V CA 2.124 64.474 62.300 0.083 0.000 1.024 470 V CB -0.273 31.582 31.823 0.054 0.000 0.648 470 V HN 0.461 nan 8.190 nan 0.000 0.447 471 E N 0.035 120.261 120.200 0.044 0.000 2.038 471 E HA -0.216 4.128 4.350 -0.009 0.000 0.195 471 E C -0.045 176.560 176.600 0.007 0.000 1.000 471 E CA 1.861 58.274 56.400 0.021 0.000 0.803 471 E CB -0.825 28.886 29.700 0.019 0.000 0.750 471 E HN 0.488 nan 8.360 nan 0.000 0.448 472 P HA -0.127 nan 4.420 nan 0.000 0.215 472 P C 1.303 178.598 177.300 -0.007 0.000 1.153 472 P CA 1.114 64.197 63.100 -0.029 0.000 0.853 472 P CB -0.031 31.613 31.700 -0.094 0.000 0.788 473 C N -1.093 118.220 119.300 0.022 0.000 2.425 473 C HA -0.086 4.369 4.460 -0.009 0.000 0.277 473 C C 2.527 177.523 174.990 0.010 0.000 1.280 473 C CA 0.917 59.956 59.018 0.034 0.000 1.744 473 C CB -1.927 25.849 27.740 0.059 0.000 1.989 473 C HN 0.295 nan 8.230 nan 0.000 0.491 474 N N 0.732 119.435 118.700 0.006 0.000 2.166 474 N HA -0.103 4.631 4.740 -0.009 0.000 0.186 474 N C 1.751 177.253 175.510 -0.013 0.000 1.019 474 N CA 1.075 54.123 53.050 -0.004 0.000 0.856 474 N CB -0.428 38.059 38.487 -0.001 0.000 0.993 474 N HN 0.566 nan 8.380 nan 0.000 0.426 475 E N 0.896 121.088 120.200 -0.015 0.000 2.072 475 E HA -0.174 4.170 4.350 -0.009 0.000 0.191 475 E C 1.822 178.394 176.600 -0.047 0.000 0.985 475 E CA 0.595 56.980 56.400 -0.025 0.000 0.801 475 E CB -0.203 29.484 29.700 -0.022 0.000 0.750 475 E HN 0.510 nan 8.360 nan 0.000 0.452 476 Q N 0.433 120.209 119.800 -0.040 0.000 2.170 476 Q HA -0.098 4.236 4.340 -0.009 0.000 0.203 476 Q C 2.236 178.201 176.000 -0.058 0.000 0.976 476 Q CA 0.691 56.460 55.803 -0.058 0.000 0.858 476 Q CB -0.012 28.726 28.738 -0.000 0.000 0.907 476 Q HN 0.247 nan 8.270 nan 0.000 0.433 477 L N 0.186 121.390 121.223 -0.031 0.000 2.362 477 L HA -0.138 4.196 4.340 -0.009 0.000 0.219 477 L C 1.985 178.832 176.870 -0.038 0.000 1.134 477 L CA 0.896 55.721 54.840 -0.026 0.000 0.807 477 L CB -0.145 41.901 42.059 -0.022 0.000 0.927 477 L HN 0.116 nan 8.230 nan 0.000 0.447 478 K N -0.062 120.306 120.400 -0.053 0.000 2.365 478 K HA 0.034 4.348 4.320 -0.009 0.000 0.197 478 K C 0.514 177.070 176.600 -0.073 0.000 1.042 478 K CA 0.146 56.404 56.287 -0.047 0.000 0.987 478 K CB 0.143 32.622 32.500 -0.035 0.000 0.779 478 K HN 0.256 nan 8.250 nan 0.000 0.484 479 R N 1.493 121.898 120.500 -0.160 0.000 2.442 479 R HA 0.123 4.457 4.340 -0.009 0.000 0.291 479 R C -0.450 175.774 176.300 -0.127 0.000 1.069 479 R CA -0.290 55.630 56.100 -0.300 0.000 1.022 479 R CB 0.947 30.775 30.300 -0.786 0.000 0.976 479 R HN -0.138 nan 8.270 nan 0.000 0.443 480 V N 6.163 126.092 119.914 0.025 0.000 2.455 480 V HA 0.143 4.257 4.120 -0.009 0.000 0.273 480 V C -1.881 174.315 176.094 0.170 0.000 1.045 480 V CA -1.823 60.533 62.300 0.093 0.000 0.976 480 V CB 0.954 32.843 31.823 0.110 0.000 0.993 480 V HN 0.649 nan 8.190 nan 0.000 0.475 481 P HA 0.285 nan 4.420 nan 0.000 0.268 481 P C -0.219 177.111 177.300 0.050 0.000 1.205 481 P CA -0.118 63.037 63.100 0.092 0.000 0.771 481 P CB 0.659 32.360 31.700 0.001 0.000 0.858 482 R N 1.431 121.964 120.500 0.054 0.000 2.606 482 R HA 0.706 5.040 4.340 -0.009 0.000 0.249 482 R C 0.117 176.347 176.300 -0.118 0.000 1.127 482 R CA -0.969 55.120 56.100 -0.018 0.000 1.133 482 R CB 0.490 30.787 30.300 -0.004 0.000 1.243 482 R HN 0.451 nan 8.270 nan 0.000 0.558 483 A N 1.028 123.792 122.820 -0.095 0.000 2.462 483 A HA 0.235 4.550 4.320 -0.009 0.000 0.243 483 A C -0.589 176.980 177.584 -0.025 0.000 1.076 483 A CA -0.114 51.851 52.037 -0.120 0.000 0.773 483 A CB -0.074 18.909 19.000 -0.029 0.000 1.010 483 A HN 0.389 nan 8.150 nan 0.000 0.493 484 F N 2.665 122.602 119.950 -0.022 0.000 2.496 484 F HA 0.300 4.821 4.527 -0.010 0.000 0.344 484 F C -1.114 174.601 175.800 -0.142 0.000 1.155 484 F CA -1.704 56.245 58.000 -0.084 0.000 1.302 484 F CB -0.028 38.873 39.000 -0.165 0.000 1.159 484 F HN 0.419 nan 8.300 nan 0.000 0.595 485 P HA 0.195 nan 4.420 nan 0.000 0.289 485 P C -1.471 175.661 177.300 -0.280 0.000 1.299 485 P CA -0.071 63.016 63.100 -0.022 0.000 0.766 485 P CB 0.830 32.490 31.700 -0.068 0.000 1.226 486 Y N -1.902 118.341 120.300 -0.094 0.000 2.570 486 Y HA 0.506 5.051 4.550 -0.009 0.000 0.345 486 Y C -0.001 175.779 175.900 -0.199 0.000 1.014 486 Y CA -0.996 57.041 58.100 -0.106 0.000 1.063 486 Y CB 1.748 40.192 38.460 -0.027 0.000 1.272 486 Y HN 0.082 nan 8.280 nan 0.000 0.477 487 L N 2.467 123.677 121.223 -0.021 0.000 2.313 487 L HA 0.769 5.103 4.340 -0.009 0.000 0.283 487 L C -1.397 175.451 176.870 -0.037 0.000 1.013 487 L CA -0.610 54.140 54.840 -0.151 0.000 0.816 487 L CB 1.217 43.143 42.059 -0.221 0.000 1.236 487 L HN 0.414 nan 8.230 nan 0.000 0.419 488 V N 5.483 125.332 119.914 -0.109 0.000 2.540 488 V HA 0.421 4.536 4.120 -0.009 0.000 0.302 488 V C -0.624 175.410 176.094 -0.102 0.000 1.035 488 V CA -0.486 61.810 62.300 -0.007 0.000 0.873 488 V CB 1.550 33.383 31.823 0.017 0.000 0.992 488 V HN 0.480 nan 8.190 nan 0.000 0.428 489 F N 4.729 124.716 119.950 0.062 0.000 2.390 489 F HA 0.458 4.980 4.527 -0.009 0.000 0.361 489 F C 1.576 177.426 175.800 0.084 0.000 1.124 489 F CA -0.430 57.624 58.000 0.092 0.000 1.149 489 F CB 1.143 40.209 39.000 0.110 0.000 1.160 489 F HN 0.415 nan 8.300 nan 0.000 0.501 490 R N 2.383 122.992 120.500 0.182 0.000 2.240 490 R HA 0.085 4.420 4.340 -0.009 0.000 0.203 490 R C 0.306 176.691 176.300 0.142 0.000 1.011 490 R CA 0.341 56.518 56.100 0.128 0.000 1.007 490 R CB -0.033 30.314 30.300 0.078 0.000 0.911 490 R HN 0.666 nan 8.270 nan 0.000 0.468 491 R N -0.284 120.337 120.500 0.203 0.000 2.716 491 R HA 0.343 4.678 4.340 -0.009 0.000 0.271 491 R C -1.110 175.329 176.300 0.232 0.000 1.028 491 R CA -0.814 55.384 56.100 0.163 0.000 0.883 491 R CB 1.413 31.769 30.300 0.093 0.000 1.250 491 R HN -0.293 nan 8.270 nan 0.000 0.465 492 E N 1.054 121.325 120.200 0.118 0.000 2.281 492 E HA 0.551 4.896 4.350 -0.009 0.000 0.257 492 E C -0.551 175.944 176.600 -0.175 0.000 0.971 492 E CA -1.102 55.345 56.400 0.078 0.000 0.839 492 E CB 1.348 31.088 29.700 0.067 0.000 1.238 492 E HN 0.414 nan 8.360 nan 0.000 0.412 493 R N 0.572 120.842 120.500 -0.383 0.000 2.795 493 R HA 0.234 4.568 4.340 -0.009 0.000 0.275 493 R C 0.772 176.919 176.300 -0.255 0.000 0.981 493 R CA -0.581 55.256 56.100 -0.438 0.000 0.917 493 R CB 1.366 31.154 30.300 -0.854 0.000 1.202 493 R HN 0.643 nan 8.270 nan 0.000 0.469 494 E N 0.679 120.735 120.200 -0.240 0.000 2.153 494 E HA -0.042 4.302 4.350 -0.009 0.000 0.194 494 E C -0.478 175.746 176.600 -0.627 0.000 0.988 494 E CA 1.280 57.421 56.400 -0.431 0.000 0.811 494 E CB 0.263 29.668 29.700 -0.492 0.000 0.746 494 E HN 0.243 nan 8.360 nan 0.000 0.466 495 F N -0.830 119.098 119.950 -0.037 0.000 2.551 495 F HA 0.162 4.683 4.527 -0.010 0.000 0.316 495 F C 0.564 176.419 175.800 0.091 0.000 1.089 495 F CA -0.888 57.125 58.000 0.021 0.000 0.915 495 F CB 1.300 40.310 39.000 0.016 0.000 1.186 495 F HN -0.182 nan 8.300 nan 0.000 0.456 496 L N 1.742 123.171 121.223 0.343 0.000 2.043 496 L HA -0.190 4.145 4.340 -0.009 0.000 0.212 496 L C 1.728 178.816 176.870 0.363 0.000 1.075 496 L CA 2.165 57.218 54.840 0.357 0.000 0.752 496 L CB -0.546 41.630 42.059 0.195 0.000 0.891 496 L HN 0.665 nan 8.230 nan 0.000 0.432 497 E N -0.632 119.720 120.200 0.255 0.000 2.478 497 E HA -0.103 4.242 4.350 -0.009 0.000 0.198 497 E C 1.164 177.866 176.600 0.170 0.000 1.046 497 E CA 0.739 57.249 56.400 0.183 0.000 0.870 497 E CB -0.146 29.619 29.700 0.109 0.000 0.818 497 E HN 0.514 nan 8.360 nan 0.000 0.527 498 D N -0.813 119.690 120.400 0.170 0.000 2.349 498 D HA -0.015 4.619 4.640 -0.009 0.000 0.214 498 D C -0.469 175.834 176.300 0.004 0.000 1.063 498 D CA 0.052 54.096 54.000 0.072 0.000 0.847 498 D CB 0.043 40.876 40.800 0.056 0.000 0.933 498 D HN 0.198 nan 8.370 nan 0.000 0.513 499 Y N 1.897 122.268 120.300 0.117 0.000 2.526 499 Y HA 0.085 4.629 4.550 -0.010 0.000 0.330 499 Y C 1.172 177.131 175.900 0.099 0.000 1.156 499 Y CA 0.389 58.566 58.100 0.129 0.000 1.419 499 Y CB 0.537 39.099 38.460 0.170 0.000 1.250 499 Y HN -0.204 nan 8.280 nan 0.000 0.540 500 E N 1.551 121.875 120.200 0.207 0.000 2.249 500 E HA 0.081 4.425 4.350 -0.009 0.000 0.263 500 E C 0.714 177.386 176.600 0.119 0.000 0.950 500 E CA -0.794 55.681 56.400 0.126 0.000 0.827 500 E CB 1.251 30.996 29.700 0.076 0.000 1.220 500 E HN 0.621 nan 8.360 nan 0.000 0.411 501 E N 1.657 121.881 120.200 0.040 0.000 2.118 501 E HA -0.157 4.188 4.350 -0.009 0.000 0.195 501 E C 1.632 178.256 176.600 0.041 0.000 0.992 501 E CA 1.441 57.839 56.400 -0.003 0.000 0.804 501 E CB -0.225 29.423 29.700 -0.087 0.000 0.741 501 E HN 0.796 nan 8.360 nan 0.000 0.458 502 G N 0.581 109.410 108.800 0.048 0.000 2.559 502 G HA2 -0.196 3.759 3.960 -0.009 0.000 0.216 502 G HA3 -0.196 3.759 3.960 -0.009 0.000 0.216 502 G C 1.075 176.017 174.900 0.070 0.000 1.126 502 G CA 0.573 45.705 45.100 0.054 0.000 0.778 502 G HN 0.213 nan 8.290 nan 0.000 0.543 503 D N 0.163 120.627 120.400 0.107 0.000 2.347 503 D HA 0.052 4.686 4.640 -0.009 0.000 0.215 503 D C 1.467 177.833 176.300 0.109 0.000 0.976 503 D CA 0.533 54.630 54.000 0.162 0.000 0.884 503 D CB 0.097 41.079 40.800 0.303 0.000 0.915 503 D HN 0.522 nan 8.370 nan 0.000 0.526 504 M N -1.209 118.387 119.600 -0.008 0.000 2.572 504 M HA 0.568 5.042 4.480 -0.009 0.000 0.299 504 M C -1.097 175.150 176.300 -0.088 0.000 1.205 504 M CA -0.797 54.374 55.300 -0.216 0.000 0.876 504 M CB 3.424 35.671 32.600 -0.588 0.000 1.728 504 M HN -0.364 nan 8.290 nan 0.000 0.458 505 E N 1.685 121.801 120.200 -0.139 0.000 2.256 505 E HA 0.545 4.889 4.350 -0.009 0.000 0.268 505 E C -1.798 174.696 176.600 -0.176 0.000 0.877 505 E CA -0.826 55.523 56.400 -0.084 0.000 0.757 505 E CB 2.820 32.500 29.700 -0.034 0.000 1.183 505 E HN 0.692 nan 8.360 nan 0.000 0.418 506 V N 6.161 125.929 119.914 -0.242 0.000 2.432 506 V HA 0.235 4.350 4.120 -0.009 0.000 0.271 506 V C 0.380 176.393 176.094 -0.135 0.000 1.046 506 V CA -0.246 61.841 62.300 -0.355 0.000 0.945 506 V CB 0.336 31.772 31.823 -0.646 0.000 0.992 506 V HN 0.516 nan 8.190 nan 0.000 0.471 507 I N 1.213 121.742 120.570 -0.067 0.000 2.412 507 I HA 0.614 4.778 4.170 -0.009 0.000 0.296 507 I C 0.033 176.199 176.117 0.081 0.000 0.987 507 I CA -0.540 60.775 61.300 0.025 0.000 1.180 507 I CB 1.481 39.507 38.000 0.044 0.000 1.340 507 I HN 0.556 nan 8.210 nan 0.000 0.455 508 D N 3.145 123.600 120.400 0.091 0.000 2.746 508 D HA -0.269 4.365 4.640 -0.009 0.000 0.236 508 D C -0.959 175.437 176.300 0.160 0.000 1.129 508 D CA 0.913 54.979 54.000 0.110 0.000 0.691 508 D CB -0.979 39.894 40.800 0.123 0.000 1.077 508 D HN 0.679 nan 8.370 nan 0.000 0.432 509 Y N 0.881 121.173 120.300 -0.014 0.000 2.504 509 Y HA 0.447 4.991 4.550 -0.010 0.000 0.351 509 Y C -0.076 175.824 175.900 0.000 0.000 0.988 509 Y CA -1.296 56.794 58.100 -0.018 0.000 1.239 509 Y CB 0.621 39.043 38.460 -0.063 0.000 1.128 509 Y HN 0.132 nan 8.280 nan 0.000 0.525 510 A N 9.691 132.428 122.820 -0.138 0.000 2.938 510 A HA 0.471 4.785 4.320 -0.009 0.000 0.344 510 A C -2.739 174.658 177.584 -0.313 0.000 1.142 510 A CA -1.422 50.482 52.037 -0.222 0.000 0.841 510 A CB -0.419 18.518 19.000 -0.106 0.000 1.083 510 A HN 0.540 nan 8.150 nan 0.000 0.479 511 P HA 0.279 nan 4.420 nan 0.000 0.278 511 P C -0.585 176.629 177.300 -0.142 0.000 1.258 511 P CA -0.257 62.660 63.100 -0.306 0.000 0.811 511 P CB 0.644 32.071 31.700 -0.456 0.000 1.063 512 Y N 0.399 120.654 120.300 -0.075 0.000 2.511 512 Y HA 0.129 4.673 4.550 -0.010 0.000 0.347 512 Y C -1.189 174.691 175.900 -0.033 0.000 1.257 512 Y CA -0.745 57.335 58.100 -0.034 0.000 1.469 512 Y CB -1.177 37.283 38.460 -0.001 0.000 1.353 512 Y HN 0.343 nan 8.280 nan 0.000 0.617 513 P HA 0.091 nan 4.420 nan 0.000 0.272 513 P C -2.319 175.038 177.300 0.094 0.000 1.240 513 P CA -0.904 62.246 63.100 0.084 0.000 0.791 513 P CB -0.172 31.568 31.700 0.067 0.000 0.978 514 P HA 0.000 nan 4.420 nan 0.000 0.216 514 P CA 0.000 63.122 63.100 0.037 0.000 0.800 514 P CB 0.000 31.710 31.700 0.017 0.000 0.726