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 2vgl_1_B DATA FIRST_RESID 4 DATA SEQUENCE SKYFTTNKKG EIFELKAELN NEKKEKRKEA VKKVIAAMTV GKDVSSLFPD DATA SEQUENCE VVNCMQTDNL ELKKLVYLYL MNYAKSQPDM AIMAVNSFVK DCEDPNPLIR DATA SEQUENCE ALAVRTMGCI RVDKITEYLC EPLRKCLKDE DPYVRKTAAV CVAKLHDINA DATA SEQUENCE QMVEDQGFLD SLRDLIADSN PMVVANAVAA LSEISESHPN SNLLDLNPQN DATA SEQUENCE INKLLTALNE CTEWGQIFIL DCLSNYNPKD DREAQSICER VTPRLSHANS DATA SEQUENCE AVVLSAVKVL MKFLELLPKD SDYYNMLLKK LAPPLVTLLS GEPEVQYVAL DATA SEQUENCE RNINLIVQKR PEILKQEIKV FFVKYNDPIY VKLEKLDIMI RLASQANIAQ DATA SEQUENCE VLAELKEYAT EVDVDFVRKA VRAIGRCAIK VEQSAERCVS TLLDLIQTKV DATA SEQUENCE NYVVQEAIVV IRDIFRKYPN KYESIIATLC ENLDSLDEPD ARAAMIWIVG DATA SEQUENCE EYAERIDNAD ELLESFLEGF HDESTQVQLT LLTAIVKLFL KKPSETQELV DATA SEQUENCE QQVLSLATQD SDNPDLRDRG YIYWRLLSTD PVTAKEVVLS EKPLISEETD DATA SEQUENCE LIEPTLLDEL ICHIGSLASV YHKPPNAFV 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.545 174.600 -0.092 0.000 1.055 4 S CA 0.000 58.193 58.200 -0.012 0.000 1.107 4 S CB 0.000 63.084 63.200 -0.193 0.000 0.593 5 K N 1.240 121.471 120.400 -0.281 0.000 2.981 5 K HA 0.361 4.680 4.320 -0.002 0.000 0.213 5 K C -1.378 175.070 176.600 -0.254 0.000 1.154 5 K CA -0.023 56.150 56.287 -0.189 0.000 1.111 5 K CB 0.084 32.486 32.500 -0.164 0.000 0.975 5 K HN 0.340 nan 8.250 nan 0.000 0.462 6 Y N -0.173 120.138 120.300 0.019 0.000 2.346 6 Y HA 0.035 4.584 4.550 -0.002 0.000 0.330 6 Y C 0.944 176.897 175.900 0.089 0.000 1.178 6 Y CA -0.105 57.977 58.100 -0.029 0.000 1.331 6 Y CB 0.281 38.726 38.460 -0.025 0.000 1.253 6 Y HN 0.198 nan 8.280 nan 0.000 0.529 7 F N -1.045 119.004 119.950 0.164 0.000 2.890 7 F HA -0.381 4.145 4.527 -0.002 0.000 0.346 7 F C 1.374 177.205 175.800 0.053 0.000 0.660 7 F CA 1.366 59.418 58.000 0.087 0.000 1.091 7 F CB -1.676 37.370 39.000 0.076 0.000 1.535 7 F HN 0.566 nan 8.300 nan 0.000 0.314 8 T N -1.942 112.689 114.554 0.128 0.000 3.067 8 T HA -0.020 4.329 4.350 -0.002 0.000 0.257 8 T C 1.021 175.752 174.700 0.052 0.000 1.105 8 T CA 1.008 63.158 62.100 0.084 0.000 1.104 8 T CB -0.072 68.819 68.868 0.039 0.000 0.925 8 T HN 0.404 nan 8.240 nan 0.000 0.498 9 T N 2.780 117.344 114.554 0.017 0.000 2.897 9 T HA -0.103 4.246 4.350 -0.002 0.000 0.304 9 T C 0.351 175.071 174.700 0.034 0.000 1.051 9 T CA 0.397 62.498 62.100 0.001 0.000 1.132 9 T CB -0.068 68.779 68.868 -0.034 0.000 1.066 9 T HN 0.114 nan 8.240 nan 0.000 0.518 10 N N 3.155 121.883 118.700 0.047 0.000 2.541 10 N HA 0.298 5.037 4.740 -0.002 0.000 0.297 10 N C 0.373 175.967 175.510 0.139 0.000 1.503 10 N CA -0.359 52.755 53.050 0.106 0.000 0.919 10 N CB 0.647 39.205 38.487 0.119 0.000 1.305 10 N HN 0.595 nan 8.380 nan 0.000 0.501 11 K N 0.011 120.400 120.400 -0.020 0.000 2.374 11 K HA 0.177 4.495 4.320 -0.002 0.000 0.202 11 K C -0.101 176.035 176.600 -0.773 0.000 1.040 11 K CA 0.347 56.510 56.287 -0.206 0.000 1.085 11 K CB 0.591 33.011 32.500 -0.133 0.000 0.873 11 K HN 0.240 nan 8.250 nan 0.000 0.539 12 K N -1.453 118.639 120.400 -0.513 0.000 2.755 12 K HA 0.556 4.875 4.320 -0.002 0.000 0.294 12 K C -0.394 176.148 176.600 -0.096 0.000 1.060 12 K CA -0.770 55.203 56.287 -0.523 0.000 0.845 12 K CB 0.870 33.144 32.500 -0.377 0.000 1.539 12 K HN -0.016 nan 8.250 nan 0.000 0.379 13 G N 0.323 109.121 108.800 -0.004 0.000 2.631 13 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.504 13 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.504 13 G C 0.316 175.297 174.900 0.135 0.000 1.306 13 G CA 0.275 45.422 45.100 0.078 0.000 0.897 13 G HN 0.946 nan 8.290 nan 0.000 0.520 14 E N -0.921 119.347 120.200 0.114 0.000 2.153 14 E HA -0.119 4.230 4.350 -0.002 0.000 0.194 14 E C 2.336 179.006 176.600 0.116 0.000 0.988 14 E CA 1.419 57.881 56.400 0.103 0.000 0.811 14 E CB -0.119 29.628 29.700 0.078 0.000 0.746 14 E HN 0.450 nan 8.360 nan 0.000 0.466 15 I N 0.288 120.940 120.570 0.136 0.000 2.339 15 I HA -0.164 4.005 4.170 -0.002 0.000 0.245 15 I C 2.237 178.440 176.117 0.143 0.000 1.096 15 I CA 0.754 62.130 61.300 0.125 0.000 1.408 15 I CB -1.120 36.957 38.000 0.127 0.000 1.092 15 I HN 0.199 nan 8.210 nan 0.000 0.423 16 F N 2.338 122.306 119.950 0.031 0.000 2.161 16 F HA -0.236 4.289 4.527 -0.002 0.000 0.300 16 F C 2.426 178.235 175.800 0.014 0.000 1.089 16 F CA 1.774 59.786 58.000 0.021 0.000 1.282 16 F CB -0.028 38.985 39.000 0.022 0.000 1.010 16 F HN 0.110 nan 8.300 nan 0.000 0.485 17 E N 0.408 120.744 120.200 0.226 0.000 2.028 17 E HA -0.198 4.151 4.350 -0.002 0.000 0.191 17 E C 2.302 178.896 176.600 -0.010 0.000 0.988 17 E CA 1.522 57.989 56.400 0.111 0.000 0.799 17 E CB -0.348 29.431 29.700 0.132 0.000 0.755 17 E HN 0.440 nan 8.360 nan 0.000 0.447 18 L N 1.010 122.237 121.223 0.007 0.000 2.187 18 L HA -0.200 4.139 4.340 -0.002 0.000 0.213 18 L C 2.567 179.393 176.870 -0.073 0.000 1.100 18 L CA 1.024 55.850 54.840 -0.024 0.000 0.765 18 L CB -0.338 41.720 42.059 -0.002 0.000 0.904 18 L HN 0.098 nan 8.230 nan 0.000 0.437 19 K N 0.211 120.548 120.400 -0.105 0.000 2.025 19 K HA -0.171 4.147 4.320 -0.002 0.000 0.207 19 K C 2.203 178.687 176.600 -0.193 0.000 1.049 19 K CA 1.308 57.503 56.287 -0.153 0.000 0.933 19 K CB -0.046 32.336 32.500 -0.196 0.000 0.714 19 K HN 0.274 nan 8.250 nan 0.000 0.438 20 A N 1.499 124.165 122.820 -0.256 0.000 1.858 20 A HA -0.213 4.106 4.320 -0.002 0.000 0.216 20 A C 1.860 179.370 177.584 -0.124 0.000 1.190 20 A CA 1.733 53.643 52.037 -0.211 0.000 0.617 20 A CB -0.566 18.301 19.000 -0.222 0.000 0.827 20 A HN 0.410 nan 8.150 nan 0.000 0.443 21 E N -0.268 119.874 120.200 -0.096 0.000 2.097 21 E HA -0.186 4.163 4.350 -0.002 0.000 0.196 21 E C 1.751 178.304 176.600 -0.078 0.000 1.000 21 E CA 1.220 57.579 56.400 -0.069 0.000 0.804 21 E CB -0.332 29.338 29.700 -0.050 0.000 0.740 21 E HN 0.622 nan 8.360 nan 0.000 0.454 22 L N 0.874 122.041 121.223 -0.094 0.000 2.549 22 L HA -0.099 4.240 4.340 -0.002 0.000 0.229 22 L C 1.657 178.468 176.870 -0.098 0.000 1.158 22 L CA 0.553 55.331 54.840 -0.104 0.000 0.842 22 L CB -0.155 41.829 42.059 -0.125 0.000 0.952 22 L HN 0.176 nan 8.230 nan 0.000 0.452 23 N N -1.281 117.363 118.700 -0.094 0.000 2.273 23 N HA -0.013 4.726 4.740 -0.002 0.000 0.192 23 N C 0.488 175.958 175.510 -0.067 0.000 1.132 23 N CA -0.155 52.846 53.050 -0.083 0.000 0.887 23 N CB 0.355 38.789 38.487 -0.089 0.000 1.048 23 N HN 0.220 nan 8.380 nan 0.000 0.490 24 N N 2.496 121.158 118.700 -0.064 0.000 2.292 24 N HA -0.151 4.587 4.740 -0.002 0.000 0.242 24 N C 0.416 175.900 175.510 -0.043 0.000 1.243 24 N CA 0.914 53.935 53.050 -0.049 0.000 0.851 24 N CB 0.706 39.167 38.487 -0.044 0.000 1.093 24 N HN 0.157 nan 8.380 nan 0.000 0.450 25 E N 1.250 121.429 120.200 -0.035 0.000 2.403 25 E HA 0.039 4.387 4.350 -0.002 0.000 0.188 25 E C -0.489 176.095 176.600 -0.026 0.000 1.056 25 E CA 0.042 56.423 56.400 -0.031 0.000 0.892 25 E CB 0.158 29.842 29.700 -0.026 0.000 1.049 25 E HN 0.381 nan 8.360 nan 0.000 0.465 26 K N 0.819 121.203 120.400 -0.027 0.000 2.354 26 K HA 0.085 4.404 4.320 -0.002 0.000 0.257 26 K C 0.785 177.370 176.600 -0.025 0.000 1.062 26 K CA -0.289 55.984 56.287 -0.023 0.000 0.971 26 K CB 0.923 33.411 32.500 -0.019 0.000 1.305 26 K HN 0.040 nan 8.250 nan 0.000 0.449 27 K N 1.208 121.593 120.400 -0.025 0.000 2.173 27 K HA -0.218 4.101 4.320 -0.002 0.000 0.207 27 K C 0.690 177.276 176.600 -0.024 0.000 1.046 27 K CA 1.390 57.661 56.287 -0.026 0.000 0.929 27 K CB 0.131 32.617 32.500 -0.022 0.000 0.720 27 K HN 0.288 nan 8.250 nan 0.000 0.453 28 E N 1.077 121.266 120.200 -0.019 0.000 2.409 28 E HA -0.061 4.288 4.350 -0.002 0.000 0.198 28 E C 1.339 177.928 176.600 -0.018 0.000 1.024 28 E CA 0.849 57.239 56.400 -0.016 0.000 0.861 28 E CB 0.124 29.817 29.700 -0.012 0.000 0.788 28 E HN 0.489 nan 8.360 nan 0.000 0.521 29 K N -0.065 120.322 120.400 -0.022 0.000 2.334 29 K HA 0.149 4.468 4.320 -0.002 0.000 0.195 29 K C 2.080 178.659 176.600 -0.035 0.000 1.045 29 K CA -0.081 56.191 56.287 -0.025 0.000 1.004 29 K CB 0.361 32.846 32.500 -0.025 0.000 0.837 29 K HN -0.057 nan 8.250 nan 0.000 0.510 30 R N 1.304 121.780 120.500 -0.040 0.000 2.062 30 R HA -0.022 4.317 4.340 -0.002 0.000 0.229 30 R C 2.112 178.380 176.300 -0.054 0.000 1.128 30 R CA 1.208 57.276 56.100 -0.054 0.000 0.960 30 R CB 0.036 30.301 30.300 -0.058 0.000 0.855 30 R HN 0.034 nan 8.270 nan 0.000 0.432 31 K N 0.387 120.763 120.400 -0.040 0.000 2.059 31 K HA -0.197 4.122 4.320 -0.002 0.000 0.212 31 K C 1.927 178.510 176.600 -0.029 0.000 1.050 31 K CA 1.415 57.683 56.287 -0.031 0.000 0.927 31 K CB -0.018 32.471 32.500 -0.019 0.000 0.714 31 K HN 0.152 nan 8.250 nan 0.000 0.447 32 E N 0.210 120.395 120.200 -0.026 0.000 2.106 32 E HA -0.127 4.222 4.350 -0.002 0.000 0.192 32 E C 1.993 178.578 176.600 -0.025 0.000 0.984 32 E CA 0.990 57.378 56.400 -0.019 0.000 0.806 32 E CB -0.214 29.477 29.700 -0.015 0.000 0.750 32 E HN 0.305 nan 8.360 nan 0.000 0.458 33 A N 1.148 123.946 122.820 -0.037 0.000 1.851 33 A HA -0.164 4.155 4.320 -0.002 0.000 0.216 33 A C 2.603 180.155 177.584 -0.054 0.000 1.195 33 A CA 1.837 53.847 52.037 -0.045 0.000 0.622 33 A CB -0.899 18.063 19.000 -0.064 0.000 0.831 33 A HN 0.140 nan 8.150 nan 0.000 0.444 34 V N 0.451 120.319 119.914 -0.077 0.000 2.469 34 V HA -0.303 3.815 4.120 -0.002 0.000 0.251 34 V C 2.384 178.457 176.094 -0.036 0.000 1.064 34 V CA 2.332 64.576 62.300 -0.094 0.000 1.066 34 V CB -0.878 30.873 31.823 -0.120 0.000 0.667 34 V HN 0.540 nan 8.190 nan 0.000 0.461 35 K N 0.330 120.719 120.400 -0.019 0.000 1.985 35 K HA -0.196 4.123 4.320 -0.002 0.000 0.210 35 K C 2.267 178.871 176.600 0.007 0.000 1.047 35 K CA 1.581 57.868 56.287 0.001 0.000 0.932 35 K CB -0.312 32.189 32.500 0.000 0.000 0.716 35 K HN 0.401 nan 8.250 nan 0.000 0.439 36 K N 0.760 121.160 120.400 0.000 0.000 2.074 36 K HA -0.165 4.154 4.320 -0.002 0.000 0.209 36 K C 2.166 178.778 176.600 0.019 0.000 1.048 36 K CA 1.572 57.864 56.287 0.008 0.000 0.926 36 K CB -0.330 32.173 32.500 0.005 0.000 0.713 36 K HN -0.027 nan 8.250 nan 0.000 0.444 37 V N 1.848 121.770 119.914 0.013 0.000 2.295 37 V HA -0.261 3.857 4.120 -0.002 0.000 0.246 37 V C 2.236 178.385 176.094 0.093 0.000 1.049 37 V CA 1.738 64.066 62.300 0.046 0.000 1.024 37 V CB -0.429 31.392 31.823 -0.003 0.000 0.648 37 V HN 0.264 nan 8.190 nan 0.000 0.447 38 I N 0.519 121.144 120.570 0.091 0.000 2.163 38 I HA -0.285 3.884 4.170 -0.002 0.000 0.243 38 I C 2.742 178.881 176.117 0.037 0.000 1.085 38 I CA 1.571 62.920 61.300 0.082 0.000 1.347 38 I CB -0.775 37.264 38.000 0.066 0.000 1.044 38 I HN 0.293 nan 8.210 nan 0.000 0.408 39 A N 0.974 123.811 122.820 0.029 0.000 1.896 39 A HA -0.334 3.985 4.320 -0.002 0.000 0.220 39 A C 2.544 180.141 177.584 0.021 0.000 1.206 39 A CA 2.687 54.736 52.037 0.020 0.000 0.647 39 A CB -1.152 17.858 19.000 0.017 0.000 0.828 39 A HN 0.488 nan 8.150 nan 0.000 0.455 40 A N -0.742 122.098 122.820 0.033 0.000 1.851 40 A HA -0.165 4.154 4.320 -0.002 0.000 0.216 40 A C 2.285 179.887 177.584 0.030 0.000 1.195 40 A CA 2.114 54.174 52.037 0.038 0.000 0.622 40 A CB -0.696 18.338 19.000 0.057 0.000 0.831 40 A HN 0.564 nan 8.150 nan 0.000 0.444 41 M N -0.399 119.216 119.600 0.025 0.000 2.089 41 M HA -0.204 4.275 4.480 -0.002 0.000 0.257 41 M C 2.169 178.462 176.300 -0.011 0.000 1.071 41 M CA 2.379 57.673 55.300 -0.010 0.000 1.096 41 M CB -1.205 31.337 32.600 -0.097 0.000 1.330 41 M HN 0.499 nan 8.290 nan 0.000 0.403 42 T N 0.304 114.851 114.554 -0.012 0.000 2.833 42 T HA -0.063 4.286 4.350 -0.002 0.000 0.269 42 T C 1.596 176.295 174.700 -0.002 0.000 1.054 42 T CA 1.571 63.665 62.100 -0.011 0.000 1.135 42 T CB -0.655 68.209 68.868 -0.008 0.000 0.869 42 T HN 0.471 nan 8.240 nan 0.000 0.466 43 V N -1.091 118.825 119.914 0.004 0.000 3.646 43 V HA 0.603 4.722 4.120 -0.002 0.000 0.277 43 V C 1.652 177.751 176.094 0.009 0.000 1.274 43 V CA 0.167 62.470 62.300 0.006 0.000 1.164 43 V CB -1.049 30.779 31.823 0.007 0.000 0.926 43 V HN 0.565 nan 8.190 nan 0.000 0.442 44 G N 0.113 108.921 108.800 0.013 0.000 2.144 44 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.218 44 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.218 44 G C 0.112 175.031 174.900 0.031 0.000 0.988 44 G CA 0.110 45.221 45.100 0.019 0.000 0.659 44 G HN 0.609 nan 8.290 nan 0.000 0.522 45 K N 0.210 120.633 120.400 0.038 0.000 2.168 45 K HA 0.401 4.720 4.320 -0.002 0.000 0.258 45 K C -0.529 176.118 176.600 0.077 0.000 1.010 45 K CA -0.529 55.790 56.287 0.053 0.000 0.929 45 K CB 0.727 33.261 32.500 0.055 0.000 0.998 45 K HN 0.066 nan 8.250 nan 0.000 0.479 46 D N 1.984 122.436 120.400 0.087 0.000 2.453 46 D HA 0.054 4.693 4.640 -0.002 0.000 0.223 46 D C 0.349 176.736 176.300 0.144 0.000 1.183 46 D CA -0.402 53.665 54.000 0.111 0.000 0.933 46 D CB 0.509 41.362 40.800 0.090 0.000 1.038 46 D HN 0.303 nan 8.370 nan 0.000 0.513 47 V N 1.327 121.359 119.914 0.197 0.000 3.514 47 V HA 0.052 4.171 4.120 -0.002 0.000 0.301 47 V C 1.749 178.055 176.094 0.353 0.000 1.346 47 V CA 0.398 62.848 62.300 0.249 0.000 1.156 47 V CB -0.611 31.374 31.823 0.270 0.000 1.029 47 V HN 0.387 nan 8.190 nan 0.000 0.428 48 S N 2.035 117.922 115.700 0.312 0.000 2.383 48 S HA -0.258 4.211 4.470 -0.002 0.000 0.229 48 S C 2.073 176.818 174.600 0.242 0.000 1.030 48 S CA 1.824 60.190 58.200 0.277 0.000 1.002 48 S CB -0.883 62.356 63.200 0.066 0.000 0.829 48 S HN 0.948 nan 8.310 nan 0.000 0.467 49 S N 1.842 117.648 115.700 0.177 0.000 2.474 49 S HA 0.117 4.586 4.470 -0.002 0.000 0.235 49 S C 1.473 176.170 174.600 0.161 0.000 0.997 49 S CA 0.379 58.665 58.200 0.143 0.000 0.949 49 S CB -0.751 62.512 63.200 0.105 0.000 0.766 49 S HN 0.556 nan 8.310 nan 0.000 0.517 50 L N 0.304 121.643 121.223 0.194 0.000 2.645 50 L HA 0.267 4.606 4.340 -0.002 0.000 0.235 50 L C 1.746 178.693 176.870 0.128 0.000 1.150 50 L CA 0.009 54.921 54.840 0.121 0.000 0.911 50 L CB -0.494 41.603 42.059 0.063 0.000 1.077 50 L HN 0.308 nan 8.230 nan 0.000 0.438 51 F N 2.271 122.291 119.950 0.116 0.000 2.060 51 F HA -0.046 4.480 4.527 -0.002 0.000 0.295 51 F C -0.397 175.427 175.800 0.041 0.000 1.120 51 F CA 1.297 59.396 58.000 0.165 0.000 1.205 51 F CB -1.113 38.014 39.000 0.211 0.000 0.986 51 F HN 0.050 nan 8.300 nan 0.000 0.470 52 P HA -0.208 nan 4.420 nan 0.000 0.218 52 P C 0.961 178.197 177.300 -0.108 0.000 1.152 52 P CA 2.246 65.357 63.100 0.019 0.000 0.857 52 P CB -0.141 31.599 31.700 0.066 0.000 0.787 53 D N -1.198 119.139 120.400 -0.105 0.000 2.120 53 D HA -0.067 4.572 4.640 -0.002 0.000 0.202 53 D C 1.977 178.144 176.300 -0.221 0.000 0.972 53 D CA 1.057 54.975 54.000 -0.137 0.000 0.837 53 D CB -0.267 40.468 40.800 -0.109 0.000 0.989 53 D HN 0.019 nan 8.370 nan 0.000 0.469 54 V N 1.555 121.275 119.914 -0.324 0.000 2.287 54 V HA -0.209 3.910 4.120 -0.002 0.000 0.248 54 V C 2.741 178.579 176.094 -0.426 0.000 1.053 54 V CA 1.083 63.100 62.300 -0.471 0.000 1.027 54 V CB -0.659 30.631 31.823 -0.889 0.000 0.646 54 V HN 0.034 nan 8.190 nan 0.000 0.447 55 V N 0.791 120.411 119.914 -0.489 0.000 2.469 55 V HA -0.318 3.801 4.120 -0.002 0.000 0.251 55 V C 2.145 178.083 176.094 -0.261 0.000 1.064 55 V CA 2.473 64.523 62.300 -0.416 0.000 1.066 55 V CB -1.007 30.545 31.823 -0.451 0.000 0.667 55 V HN 0.669 nan 8.190 nan 0.000 0.461 56 N N -1.227 117.346 118.700 -0.211 0.000 2.309 56 N HA -0.167 4.571 4.740 -0.002 0.000 0.182 56 N C 1.630 177.062 175.510 -0.130 0.000 1.018 56 N CA 1.335 54.299 53.050 -0.144 0.000 0.876 56 N CB -0.219 38.199 38.487 -0.115 0.000 0.972 56 N HN 0.414 nan 8.380 nan 0.000 0.434 57 C N 0.647 119.856 119.300 -0.152 0.000 2.449 57 C HA 0.060 4.518 4.460 -0.002 0.000 0.283 57 C C 2.411 177.344 174.990 -0.096 0.000 1.453 57 C CA 0.421 59.367 59.018 -0.121 0.000 1.779 57 C CB -1.057 26.599 27.740 -0.140 0.000 1.779 57 C HN 0.497 nan 8.230 nan 0.000 0.546 58 M N -0.456 119.077 119.600 -0.112 0.000 2.319 58 M HA -0.082 4.397 4.480 -0.002 0.000 0.265 58 M C 1.233 177.507 176.300 -0.043 0.000 1.068 58 M CA 1.069 56.325 55.300 -0.072 0.000 1.118 58 M CB -0.233 32.298 32.600 -0.115 0.000 1.395 58 M HN 0.352 nan 8.290 nan 0.000 0.435 59 Q N 1.027 120.792 119.800 -0.059 0.000 2.912 59 Q HA -0.021 4.317 4.340 -0.002 0.000 0.231 59 Q C -0.176 175.807 176.000 -0.028 0.000 1.304 59 Q CA 0.315 56.093 55.803 -0.041 0.000 0.894 59 Q CB -0.624 28.085 28.738 -0.048 0.000 1.757 59 Q HN 0.099 nan 8.270 nan 0.000 0.521 60 T N -0.813 113.732 114.554 -0.014 0.000 2.903 60 T HA 0.072 4.420 4.350 -0.002 0.000 0.299 60 T C 0.683 175.385 174.700 0.002 0.000 1.093 60 T CA -0.766 61.328 62.100 -0.009 0.000 1.002 60 T CB 1.298 70.160 68.868 -0.010 0.000 1.127 60 T HN 0.515 nan 8.240 nan 0.000 0.488 61 D N 2.780 123.180 120.400 0.000 0.000 2.084 61 D HA -0.136 4.503 4.640 -0.002 0.000 0.194 61 D C 0.686 176.990 176.300 0.008 0.000 0.990 61 D CA 0.594 54.596 54.000 0.004 0.000 0.826 61 D CB -0.369 40.431 40.800 0.000 0.000 0.971 61 D HN 0.497 nan 8.370 nan 0.000 0.453 62 N N 0.421 119.124 118.700 0.005 0.000 2.454 62 N HA -0.038 4.700 4.740 -0.002 0.000 0.254 62 N C 0.747 176.266 175.510 0.016 0.000 1.228 62 N CA -0.195 52.859 53.050 0.006 0.000 0.900 62 N CB 1.667 40.154 38.487 0.000 0.000 1.089 62 N HN 0.106 nan 8.380 nan 0.000 0.449 63 L N 3.714 124.946 121.223 0.014 0.000 2.200 63 L HA 0.094 4.433 4.340 -0.002 0.000 0.200 63 L C 2.316 179.202 176.870 0.026 0.000 1.072 63 L CA 1.238 56.090 54.840 0.020 0.000 0.787 63 L CB -0.657 41.407 42.059 0.008 0.000 0.957 63 L HN 0.736 nan 8.230 nan 0.000 0.459 64 E N -0.537 119.673 120.200 0.017 0.000 2.130 64 E HA -0.293 4.056 4.350 -0.002 0.000 0.196 64 E C 2.099 178.715 176.600 0.027 0.000 0.998 64 E CA 1.765 58.176 56.400 0.019 0.000 0.806 64 E CB -0.164 29.542 29.700 0.009 0.000 0.738 64 E HN 0.374 nan 8.360 nan 0.000 0.459 65 L N 1.155 122.391 121.223 0.021 0.000 2.109 65 L HA -0.060 4.279 4.340 -0.002 0.000 0.207 65 L C 2.166 179.057 176.870 0.036 0.000 1.086 65 L CA 1.852 56.700 54.840 0.013 0.000 0.760 65 L CB -0.461 41.596 42.059 -0.004 0.000 0.910 65 L HN -0.045 nan 8.230 nan 0.000 0.437 66 K N -0.551 119.890 120.400 0.068 0.000 2.025 66 K HA -0.215 4.104 4.320 -0.002 0.000 0.207 66 K C 2.201 178.953 176.600 0.254 0.000 1.049 66 K CA 1.253 57.626 56.287 0.144 0.000 0.933 66 K CB -0.064 32.525 32.500 0.147 0.000 0.714 66 K HN 0.051 nan 8.250 nan 0.000 0.438 67 K N 1.099 121.599 120.400 0.166 0.000 2.063 67 K HA -0.115 4.203 4.320 -0.002 0.000 0.208 67 K C 1.774 178.475 176.600 0.168 0.000 1.048 67 K CA 1.453 57.833 56.287 0.155 0.000 0.928 67 K CB -0.392 32.150 32.500 0.069 0.000 0.713 67 K HN 0.160 nan 8.250 nan 0.000 0.442 68 L N -0.396 120.891 121.223 0.106 0.000 2.017 68 L HA -0.178 4.161 4.340 -0.002 0.000 0.208 68 L C 2.246 179.167 176.870 0.086 0.000 1.073 68 L CA 1.120 56.006 54.840 0.077 0.000 0.745 68 L CB -0.473 41.602 42.059 0.028 0.000 0.894 68 L HN -0.009 nan 8.230 nan 0.000 0.432 69 V N -1.160 118.784 119.914 0.051 0.000 2.392 69 V HA -0.342 3.777 4.120 -0.002 0.000 0.249 69 V C 2.184 178.314 176.094 0.060 0.000 1.059 69 V CA 1.838 64.128 62.300 -0.018 0.000 1.051 69 V CB -0.757 30.995 31.823 -0.118 0.000 0.658 69 V HN 0.318 nan 8.190 nan 0.000 0.455 70 Y N -0.029 120.335 120.300 0.107 0.000 2.114 70 Y HA -0.205 4.344 4.550 -0.002 0.000 0.284 70 Y C 2.384 178.362 175.900 0.129 0.000 1.143 70 Y CA 1.760 59.950 58.100 0.149 0.000 1.135 70 Y CB -0.360 38.175 38.460 0.124 0.000 0.980 70 Y HN 0.112 nan 8.280 nan 0.000 0.499 71 L N -1.236 120.133 121.223 0.242 0.000 2.089 71 L HA -0.325 4.014 4.340 -0.002 0.000 0.213 71 L C 2.291 179.231 176.870 0.118 0.000 1.079 71 L CA 1.994 56.922 54.840 0.146 0.000 0.758 71 L CB -0.925 41.198 42.059 0.107 0.000 0.891 71 L HN 0.372 nan 8.230 nan 0.000 0.433 72 Y N 0.609 120.903 120.300 -0.010 0.000 2.200 72 Y HA -0.185 4.364 4.550 -0.002 0.000 0.290 72 Y C 2.383 178.243 175.900 -0.066 0.000 1.137 72 Y CA 1.395 59.447 58.100 -0.081 0.000 1.163 72 Y CB -0.073 38.328 38.460 -0.099 0.000 0.988 72 Y HN -0.029 nan 8.280 nan 0.000 0.518 73 L N -0.708 120.605 121.223 0.151 0.000 2.109 73 L HA -0.218 4.121 4.340 -0.002 0.000 0.207 73 L C 2.520 179.465 176.870 0.126 0.000 1.086 73 L CA 0.810 55.763 54.840 0.189 0.000 0.760 73 L CB -0.514 41.724 42.059 0.298 0.000 0.910 73 L HN 0.273 nan 8.230 nan 0.000 0.437 74 M N -0.077 119.584 119.600 0.101 0.000 2.195 74 M HA -0.208 4.271 4.480 -0.002 0.000 0.260 74 M C 1.940 178.236 176.300 -0.007 0.000 1.066 74 M CA 1.535 56.868 55.300 0.055 0.000 1.089 74 M CB -1.103 31.536 32.600 0.065 0.000 1.377 74 M HN 0.334 nan 8.290 nan 0.000 0.411 75 N N -0.434 118.207 118.700 -0.099 0.000 2.188 75 N HA -0.157 4.582 4.740 -0.002 0.000 0.184 75 N C 1.377 176.816 175.510 -0.119 0.000 1.018 75 N CA 1.216 54.167 53.050 -0.165 0.000 0.858 75 N CB -0.454 37.848 38.487 -0.307 0.000 0.989 75 N HN 0.366 nan 8.380 nan 0.000 0.426 76 Y N 1.264 121.496 120.300 -0.114 0.000 2.583 76 Y HA 0.198 4.747 4.550 -0.002 0.000 0.293 76 Y C 2.063 177.943 175.900 -0.032 0.000 1.157 76 Y CA -0.497 57.555 58.100 -0.081 0.000 1.315 76 Y CB -0.747 37.670 38.460 -0.071 0.000 1.021 76 Y HN 0.002 nan 8.280 nan 0.000 0.536 77 A N 0.563 123.455 122.820 0.120 0.000 1.829 77 A HA -0.165 4.154 4.320 -0.002 0.000 0.216 77 A C 2.357 179.967 177.584 0.044 0.000 1.207 77 A CA 1.687 53.767 52.037 0.071 0.000 0.622 77 A CB -0.346 18.672 19.000 0.031 0.000 0.846 77 A HN 0.111 nan 8.150 nan 0.000 0.447 78 K N 0.001 120.417 120.400 0.027 0.000 2.103 78 K HA -0.035 4.284 4.320 -0.002 0.000 0.204 78 K C 2.396 179.011 176.600 0.025 0.000 1.052 78 K CA 1.144 57.441 56.287 0.017 0.000 0.945 78 K CB -0.749 31.753 32.500 0.004 0.000 0.722 78 K HN 0.478 nan 8.250 nan 0.000 0.443 79 S N 1.750 117.477 115.700 0.045 0.000 2.426 79 S HA -0.181 4.288 4.470 -0.002 0.000 0.220 79 S C 0.659 175.286 174.600 0.045 0.000 1.040 79 S CA 1.336 59.571 58.200 0.058 0.000 1.094 79 S CB -0.030 63.233 63.200 0.104 0.000 1.072 79 S HN 0.457 nan 8.310 nan 0.000 0.415 80 Q N 0.408 120.239 119.800 0.052 0.000 2.523 80 Q HA 0.398 4.737 4.340 -0.002 0.000 0.251 80 Q C -2.584 173.379 176.000 -0.061 0.000 1.033 80 Q CA -2.049 53.731 55.803 -0.038 0.000 0.746 80 Q CB 1.677 30.347 28.738 -0.114 0.000 1.189 80 Q HN 0.223 nan 8.270 nan 0.000 0.508 81 P HA -0.247 nan 4.420 nan 0.000 0.218 81 P C 0.529 177.802 177.300 -0.044 0.000 1.154 81 P CA 1.467 64.559 63.100 -0.013 0.000 0.872 81 P CB 0.300 31.997 31.700 -0.006 0.000 0.790 82 D N -1.610 118.740 120.400 -0.082 0.000 2.126 82 D HA -0.189 4.449 4.640 -0.002 0.000 0.190 82 D C 1.970 178.156 176.300 -0.191 0.000 1.001 82 D CA 1.263 55.194 54.000 -0.114 0.000 0.841 82 D CB -0.616 40.104 40.800 -0.132 0.000 0.949 82 D HN 0.055 nan 8.370 nan 0.000 0.446 83 M N 0.283 119.695 119.600 -0.313 0.000 2.065 83 M HA -0.141 4.338 4.480 -0.002 0.000 0.259 83 M C 2.396 178.484 176.300 -0.354 0.000 1.069 83 M CA 1.299 56.260 55.300 -0.566 0.000 1.110 83 M CB -1.156 30.849 32.600 -0.993 0.000 1.328 83 M HN 0.016 nan 8.290 nan 0.000 0.405 84 A N 0.266 123.054 122.820 -0.055 0.000 1.986 84 A HA -0.174 4.145 4.320 -0.002 0.000 0.220 84 A C 2.174 179.893 177.584 0.225 0.000 1.171 84 A CA 1.524 53.687 52.037 0.210 0.000 0.640 84 A CB -1.014 18.114 19.000 0.214 0.000 0.811 84 A HN 0.513 nan 8.150 nan 0.000 0.451 85 I N -0.631 119.993 120.570 0.090 0.000 2.361 85 I HA -0.297 3.872 4.170 -0.002 0.000 0.251 85 I C 2.360 178.494 176.117 0.029 0.000 1.133 85 I CA 1.325 62.671 61.300 0.076 0.000 1.413 85 I CB -0.323 37.691 38.000 0.023 0.000 1.073 85 I HN 0.342 nan 8.210 nan 0.000 0.424 86 M N 0.225 119.821 119.600 -0.006 0.000 2.521 86 M HA -0.137 4.342 4.480 -0.002 0.000 0.260 86 M C 1.178 177.510 176.300 0.054 0.000 1.068 86 M CA 1.118 56.416 55.300 -0.003 0.000 1.060 86 M CB -0.319 32.230 32.600 -0.086 0.000 1.398 86 M HN 0.300 nan 8.290 nan 0.000 0.473 87 A N -0.245 122.596 122.820 0.035 0.000 2.674 87 A HA 0.390 4.709 4.320 -0.002 0.000 0.286 87 A C 1.292 178.582 177.584 -0.489 0.000 0.980 87 A CA -0.382 51.538 52.037 -0.194 0.000 1.028 87 A CB -0.353 18.517 19.000 -0.216 0.000 1.199 87 A HN 0.252 nan 8.150 nan 0.000 0.499 88 V N -2.208 117.576 119.914 -0.216 0.000 2.379 88 V HA -0.127 3.992 4.120 -0.002 0.000 0.245 88 V C 1.451 177.420 176.094 -0.208 0.000 1.044 88 V CA 1.894 64.134 62.300 -0.100 0.000 1.036 88 V CB -0.941 30.752 31.823 -0.217 0.000 0.664 88 V HN 0.453 nan 8.190 nan 0.000 0.453 89 N N 1.389 119.931 118.700 -0.264 0.000 2.696 89 N HA -0.057 4.682 4.740 -0.002 0.000 0.196 89 N C 1.443 176.862 175.510 -0.151 0.000 1.220 89 N CA 1.451 54.395 53.050 -0.175 0.000 0.940 89 N CB -0.150 38.251 38.487 -0.144 0.000 0.999 89 N HN 0.733 nan 8.380 nan 0.000 0.447 90 S N -1.543 114.005 115.700 -0.253 0.000 2.593 90 S HA 0.250 4.718 4.470 -0.002 0.000 0.235 90 S C 1.333 175.832 174.600 -0.169 0.000 1.059 90 S CA -0.520 57.535 58.200 -0.242 0.000 0.953 90 S CB 0.052 63.043 63.200 -0.347 0.000 0.897 90 S HN 0.210 nan 8.310 nan 0.000 0.507 91 F N 2.798 122.776 119.950 0.047 0.000 2.146 91 F HA -0.144 4.382 4.527 -0.002 0.000 0.298 91 F C 2.632 178.488 175.800 0.094 0.000 1.096 91 F CA 0.962 59.031 58.000 0.115 0.000 1.275 91 F CB -0.870 38.199 39.000 0.115 0.000 1.008 91 F HN 0.077 nan 8.300 nan 0.000 0.480 92 V N -0.406 119.640 119.914 0.219 0.000 2.215 92 V HA -0.309 3.809 4.120 -0.002 0.000 0.246 92 V C 1.563 177.730 176.094 0.121 0.000 1.047 92 V CA 1.786 64.183 62.300 0.161 0.000 0.999 92 V CB -1.029 30.876 31.823 0.136 0.000 0.635 92 V HN 0.273 nan 8.190 nan 0.000 0.450 93 K N 0.758 121.205 120.400 0.079 0.000 3.233 93 K HA 0.010 4.329 4.320 -0.002 0.000 0.283 93 K C 0.330 176.972 176.600 0.069 0.000 1.209 93 K CA 0.680 57.004 56.287 0.062 0.000 1.197 93 K CB -0.536 31.986 32.500 0.036 0.000 1.431 93 K HN 0.707 nan 8.250 nan 0.000 0.326 94 D N -0.833 119.631 120.400 0.106 0.000 2.520 94 D HA -0.007 4.632 4.640 -0.002 0.000 0.386 94 D C 0.397 176.781 176.300 0.141 0.000 1.267 94 D CA -0.014 54.067 54.000 0.134 0.000 0.958 94 D CB -0.157 40.758 40.800 0.192 0.000 1.462 94 D HN 0.445 nan 8.370 nan 0.000 0.438 95 C N -0.198 119.176 119.300 0.122 0.000 3.000 95 C HA 0.538 4.997 4.460 -0.002 0.000 0.286 95 C C 1.724 176.757 174.990 0.071 0.000 1.343 95 C CA -0.492 58.581 59.018 0.093 0.000 1.742 95 C CB -0.504 27.296 27.740 0.099 0.000 2.200 95 C HN 0.076 nan 8.230 nan 0.000 0.621 96 E N 1.205 121.446 120.200 0.068 0.000 2.201 96 E HA 0.028 4.377 4.350 -0.002 0.000 0.193 96 E C -0.340 176.288 176.600 0.046 0.000 0.957 96 E CA -0.021 56.411 56.400 0.054 0.000 0.858 96 E CB 0.079 29.810 29.700 0.051 0.000 0.816 96 E HN 0.567 nan 8.360 nan 0.000 0.475 97 D N 2.764 123.193 120.400 0.049 0.000 2.563 97 D HA -0.051 4.587 4.640 -0.002 0.000 0.229 97 D C -2.056 174.265 176.300 0.035 0.000 1.159 97 D CA -0.431 53.593 54.000 0.041 0.000 0.869 97 D CB -0.185 40.643 40.800 0.046 0.000 1.203 97 D HN -0.042 nan 8.370 nan 0.000 0.478 98 P HA 0.015 nan 4.420 nan 0.000 0.300 98 P C -0.535 176.779 177.300 0.023 0.000 1.294 98 P CA -0.489 62.626 63.100 0.024 0.000 0.757 98 P CB 0.250 31.962 31.700 0.019 0.000 1.377 99 N N -1.677 117.033 118.700 0.017 0.000 3.541 99 N HA -0.133 4.606 4.740 -0.002 0.000 0.292 99 N C -1.986 173.537 175.510 0.022 0.000 1.964 99 N CA -0.372 52.685 53.050 0.011 0.000 2.344 99 N CB -0.032 38.459 38.487 0.005 0.000 0.672 99 N HN 0.220 nan 8.380 nan 0.000 0.620 100 P HA -0.102 nan 4.420 nan 0.000 0.219 100 P C 1.472 178.831 177.300 0.098 0.000 1.150 100 P CA 0.859 63.997 63.100 0.064 0.000 0.814 100 P CB 0.180 31.921 31.700 0.067 0.000 0.787 101 L N -0.897 120.347 121.223 0.034 0.000 2.064 101 L HA -0.217 4.121 4.340 -0.002 0.000 0.216 101 L C 2.317 179.207 176.870 0.034 0.000 1.077 101 L CA 1.455 56.312 54.840 0.029 0.000 0.766 101 L CB -0.914 41.117 42.059 -0.047 0.000 0.890 101 L HN -0.027 nan 8.230 nan 0.000 0.435 102 I N -0.684 119.888 120.570 0.004 0.000 2.406 102 I HA -0.178 3.991 4.170 -0.002 0.000 0.249 102 I C 2.654 178.750 176.117 -0.036 0.000 1.122 102 I CA 1.249 62.526 61.300 -0.038 0.000 1.431 102 I CB -0.893 37.106 38.000 -0.001 0.000 1.087 102 I HN 0.290 nan 8.210 nan 0.000 0.424 103 R N 0.974 121.484 120.500 0.017 0.000 2.062 103 R HA -0.086 4.253 4.340 -0.002 0.000 0.231 103 R C 2.481 178.778 176.300 -0.004 0.000 1.136 103 R CA 1.542 57.656 56.100 0.024 0.000 0.948 103 R CB -0.456 29.870 30.300 0.042 0.000 0.845 103 R HN 0.309 nan 8.270 nan 0.000 0.430 104 A N 1.474 124.300 122.820 0.011 0.000 1.892 104 A HA -0.220 4.099 4.320 -0.002 0.000 0.218 104 A C 2.130 179.654 177.584 -0.099 0.000 1.188 104 A CA 1.501 53.503 52.037 -0.058 0.000 0.631 104 A CB -0.684 18.299 19.000 -0.028 0.000 0.822 104 A HN 0.273 nan 8.150 nan 0.000 0.447 105 L N -0.706 120.453 121.223 -0.106 0.000 2.127 105 L HA -0.100 4.238 4.340 -0.002 0.000 0.211 105 L C 2.514 179.183 176.870 -0.336 0.000 1.089 105 L CA 2.209 56.895 54.840 -0.257 0.000 0.757 105 L CB -0.385 41.434 42.059 -0.400 0.000 0.899 105 L HN 0.353 nan 8.230 nan 0.000 0.434 106 A N -2.136 120.564 122.820 -0.200 0.000 2.132 106 A HA 0.115 4.434 4.320 -0.002 0.000 0.213 106 A C 1.972 179.542 177.584 -0.023 0.000 1.154 106 A CA 0.922 52.983 52.037 0.039 0.000 0.753 106 A CB -0.404 18.747 19.000 0.252 0.000 0.826 106 A HN 0.269 nan 8.150 nan 0.000 0.469 107 V N 1.193 121.071 119.914 -0.060 0.000 2.300 107 V HA -0.212 3.907 4.120 -0.002 0.000 0.241 107 V C 2.544 178.566 176.094 -0.120 0.000 1.034 107 V CA 1.679 63.938 62.300 -0.068 0.000 1.021 107 V CB -1.190 30.598 31.823 -0.058 0.000 0.662 107 V HN 0.765 nan 8.190 nan 0.000 0.458 108 R N 1.087 121.509 120.500 -0.131 0.000 2.133 108 R HA -0.217 4.122 4.340 -0.002 0.000 0.247 108 R C 2.043 178.257 176.300 -0.144 0.000 1.151 108 R CA 2.362 58.382 56.100 -0.133 0.000 0.971 108 R CB -1.465 28.758 30.300 -0.128 0.000 0.866 108 R HN 0.446 nan 8.270 nan 0.000 0.447 109 T N 0.953 115.396 114.554 -0.185 0.000 2.737 109 T HA -0.106 4.243 4.350 -0.002 0.000 0.265 109 T C 1.648 176.129 174.700 -0.365 0.000 1.038 109 T CA 1.560 63.503 62.100 -0.260 0.000 1.144 109 T CB -0.201 68.464 68.868 -0.338 0.000 0.866 109 T HN 0.238 nan 8.240 nan 0.000 0.434 110 M N 1.830 121.175 119.600 -0.425 0.000 2.108 110 M HA 0.056 4.535 4.480 -0.002 0.000 0.261 110 M C 2.231 178.452 176.300 -0.133 0.000 1.066 110 M CA 1.786 56.917 55.300 -0.282 0.000 1.107 110 M CB -1.059 31.457 32.600 -0.140 0.000 1.356 110 M HN 0.215 nan 8.290 nan 0.000 0.406 111 G N -1.422 107.305 108.800 -0.122 0.000 2.498 111 G HA2 -0.177 3.782 3.960 -0.002 0.000 0.219 111 G HA3 -0.177 3.782 3.960 -0.002 0.000 0.219 111 G C 1.385 176.239 174.900 -0.076 0.000 1.119 111 G CA 0.999 46.044 45.100 -0.092 0.000 0.766 111 G HN 0.588 nan 8.290 nan 0.000 0.552 112 C N 0.312 119.562 119.300 -0.084 0.000 2.594 112 C HA 0.402 4.861 4.460 -0.002 0.000 0.265 112 C C 1.258 176.226 174.990 -0.036 0.000 1.351 112 C CA -0.937 58.046 59.018 -0.059 0.000 1.744 112 C CB -0.994 26.710 27.740 -0.059 0.000 1.890 112 C HN 0.300 nan 8.230 nan 0.000 0.551 113 I N 0.783 121.331 120.570 -0.037 0.000 2.662 113 I HA 0.231 4.400 4.170 -0.002 0.000 0.291 113 I C 0.519 176.638 176.117 0.003 0.000 1.046 113 I CA 0.240 61.539 61.300 -0.002 0.000 1.361 113 I CB 0.466 38.478 38.000 0.019 0.000 1.429 113 I HN 0.063 nan 8.210 nan 0.000 0.558 114 R N 5.100 125.607 120.500 0.012 0.000 2.721 114 R HA 0.603 4.942 4.340 -0.002 0.000 0.272 114 R C -1.904 174.405 176.300 0.015 0.000 1.721 114 R CA -0.227 55.880 56.100 0.010 0.000 1.325 114 R CB 0.693 30.995 30.300 0.004 0.000 1.271 114 R HN 0.538 nan 8.270 nan 0.000 0.556 115 V N 0.604 120.533 119.914 0.025 0.000 3.076 115 V HA 0.311 4.430 4.120 -0.002 0.000 0.311 115 V C 0.529 176.642 176.094 0.032 0.000 1.346 115 V CA -0.856 61.459 62.300 0.025 0.000 1.056 115 V CB 1.985 33.824 31.823 0.028 0.000 1.093 115 V HN 0.447 nan 8.190 nan 0.000 0.468 116 D N 0.112 120.529 120.400 0.029 0.000 2.084 116 D HA -0.097 4.542 4.640 -0.002 0.000 0.196 116 D C 1.281 177.604 176.300 0.038 0.000 0.985 116 D CA 1.443 55.458 54.000 0.025 0.000 0.826 116 D CB 0.120 40.930 40.800 0.017 0.000 0.978 116 D HN 0.489 nan 8.370 nan 0.000 0.456 117 K N 0.897 121.339 120.400 0.071 0.000 2.630 117 K HA 0.103 4.422 4.320 -0.002 0.000 0.204 117 K C 1.604 178.323 176.600 0.198 0.000 1.024 117 K CA -0.233 56.125 56.287 0.118 0.000 1.157 117 K CB 0.216 32.838 32.500 0.204 0.000 0.899 117 K HN 0.210 nan 8.250 nan 0.000 0.501 118 I N 1.047 121.697 120.570 0.133 0.000 2.716 118 I HA -0.214 3.955 4.170 -0.002 0.000 0.259 118 I C 2.216 178.398 176.117 0.109 0.000 1.172 118 I CA 1.125 62.521 61.300 0.159 0.000 1.478 118 I CB 0.011 38.063 38.000 0.086 0.000 1.104 118 I HN 0.310 nan 8.210 nan 0.000 0.439 119 T N -2.076 112.492 114.554 0.023 0.000 2.737 119 T HA -0.188 4.160 4.350 -0.002 0.000 0.265 119 T C 1.594 176.247 174.700 -0.078 0.000 1.038 119 T CA 1.286 63.377 62.100 -0.016 0.000 1.144 119 T CB -0.537 68.314 68.868 -0.028 0.000 0.866 119 T HN 0.353 nan 8.240 nan 0.000 0.434 120 E N 0.789 120.847 120.200 -0.235 0.000 2.114 120 E HA -0.183 4.166 4.350 -0.002 0.000 0.199 120 E C 1.776 178.138 176.600 -0.397 0.000 1.008 120 E CA 1.992 58.121 56.400 -0.451 0.000 0.810 120 E CB -0.362 28.799 29.700 -0.899 0.000 0.739 120 E HN 0.827 nan 8.360 nan 0.000 0.456 121 Y N -1.479 118.856 120.300 0.058 0.000 2.507 121 Y HA 0.125 4.674 4.550 -0.002 0.000 0.263 121 Y C 1.760 177.706 175.900 0.077 0.000 1.093 121 Y CA -0.227 57.916 58.100 0.073 0.000 1.285 121 Y CB 0.227 38.741 38.460 0.090 0.000 1.115 121 Y HN 0.010 nan 8.280 nan 0.000 0.533 122 L N 0.286 121.611 121.223 0.171 0.000 2.253 122 L HA -0.010 4.329 4.340 -0.002 0.000 0.205 122 L C 2.368 179.296 176.870 0.098 0.000 1.078 122 L CA 0.803 55.710 54.840 0.111 0.000 0.805 122 L CB -0.913 41.181 42.059 0.059 0.000 0.963 122 L HN 0.453 nan 8.230 nan 0.000 0.459 123 C N -0.587 118.778 119.300 0.109 0.000 2.271 123 C HA -0.303 4.156 4.460 -0.002 0.000 0.269 123 C C 2.511 177.653 174.990 0.254 0.000 1.131 123 C CA 1.587 60.726 59.018 0.202 0.000 1.794 123 C CB -1.476 26.341 27.740 0.129 0.000 1.930 123 C HN 0.681 nan 8.230 nan 0.000 0.417 124 E N 1.977 122.268 120.200 0.152 0.000 2.047 124 E HA -0.061 4.288 4.350 -0.002 0.000 0.191 124 E C -0.395 176.285 176.600 0.133 0.000 0.987 124 E CA 1.480 57.954 56.400 0.123 0.000 0.799 124 E CB -0.603 29.144 29.700 0.077 0.000 0.752 124 E HN 0.576 nan 8.360 nan 0.000 0.449 125 P HA -0.118 nan 4.420 nan 0.000 0.222 125 P C 1.183 178.549 177.300 0.110 0.000 1.147 125 P CA 0.698 63.865 63.100 0.112 0.000 0.790 125 P CB 0.075 31.845 31.700 0.116 0.000 0.780 126 L N -0.534 120.768 121.223 0.131 0.000 2.156 126 L HA 0.036 4.375 4.340 -0.002 0.000 0.208 126 L C 2.451 179.494 176.870 0.288 0.000 1.095 126 L CA 1.541 56.458 54.840 0.128 0.000 0.770 126 L CB -0.720 41.321 42.059 -0.030 0.000 0.914 126 L HN -0.245 nan 8.230 nan 0.000 0.439 127 R N -0.455 120.249 120.500 0.341 0.000 2.096 127 R HA -0.145 4.194 4.340 -0.002 0.000 0.235 127 R C 2.040 178.411 176.300 0.118 0.000 1.127 127 R CA 1.493 57.719 56.100 0.211 0.000 0.968 127 R CB -0.006 30.327 30.300 0.054 0.000 0.861 127 R HN 0.348 nan 8.270 nan 0.000 0.440 128 K N -0.879 119.582 120.400 0.102 0.000 2.296 128 K HA -0.039 4.280 4.320 -0.002 0.000 0.200 128 K C 2.017 178.656 176.600 0.065 0.000 1.048 128 K CA 0.724 57.052 56.287 0.069 0.000 0.966 128 K CB 0.105 32.643 32.500 0.062 0.000 0.754 128 K HN 0.246 nan 8.250 nan 0.000 0.466 129 C N 0.838 120.182 119.300 0.074 0.000 2.475 129 C HA 0.058 4.517 4.460 -0.002 0.000 0.279 129 C C 2.346 177.362 174.990 0.044 0.000 1.322 129 C CA 0.241 59.289 59.018 0.049 0.000 1.734 129 C CB -0.620 27.139 27.740 0.030 0.000 2.005 129 C HN 0.364 nan 8.230 nan 0.000 0.495 130 L N 0.352 121.615 121.223 0.068 0.000 2.353 130 L HA -0.067 4.272 4.340 -0.002 0.000 0.220 130 L C 0.856 177.755 176.870 0.048 0.000 1.133 130 L CA 1.404 56.282 54.840 0.063 0.000 0.798 130 L CB -0.377 41.746 42.059 0.106 0.000 0.922 130 L HN 0.303 nan 8.230 nan 0.000 0.445 131 K N 0.699 121.127 120.400 0.046 0.000 2.354 131 K HA 0.395 4.714 4.320 -0.002 0.000 0.257 131 K C -1.147 175.474 176.600 0.033 0.000 1.062 131 K CA -0.198 56.109 56.287 0.034 0.000 0.971 131 K CB 1.008 33.525 32.500 0.029 0.000 1.305 131 K HN -0.097 nan 8.250 nan 0.000 0.449 132 D N 0.890 121.309 120.400 0.032 0.000 2.886 132 D HA 0.051 4.690 4.640 -0.002 0.000 0.216 132 D C 0.259 176.579 176.300 0.034 0.000 1.256 132 D CA -0.421 53.599 54.000 0.034 0.000 0.844 132 D CB 1.467 42.290 40.800 0.037 0.000 1.669 132 D HN 0.295 nan 8.370 nan 0.000 0.513 133 E N 0.872 121.092 120.200 0.033 0.000 2.160 133 E HA -0.101 4.248 4.350 -0.002 0.000 0.195 133 E C -0.267 176.357 176.600 0.039 0.000 0.991 133 E CA 0.854 57.273 56.400 0.032 0.000 0.810 133 E CB 0.117 29.834 29.700 0.027 0.000 0.742 133 E HN 0.379 nan 8.360 nan 0.000 0.466 134 D N -0.674 119.757 120.400 0.051 0.000 2.225 134 D HA 0.036 4.675 4.640 -0.002 0.000 0.248 134 D C -1.603 174.746 176.300 0.081 0.000 1.096 134 D CA -2.072 51.970 54.000 0.071 0.000 0.863 134 D CB 1.330 42.187 40.800 0.094 0.000 1.156 134 D HN -0.183 nan 8.370 nan 0.000 0.450 135 P HA -0.156 nan 4.420 nan 0.000 0.220 135 P C 1.258 178.620 177.300 0.104 0.000 1.152 135 P CA 0.719 63.868 63.100 0.081 0.000 0.812 135 P CB 0.038 31.784 31.700 0.077 0.000 0.792 136 Y N 1.189 121.495 120.300 0.010 0.000 2.315 136 Y HA -0.172 4.377 4.550 -0.002 0.000 0.288 136 Y C 1.999 177.897 175.900 -0.003 0.000 1.154 136 Y CA 1.295 59.397 58.100 0.004 0.000 1.229 136 Y CB -0.665 37.796 38.460 0.001 0.000 0.980 136 Y HN -0.262 nan 8.280 nan 0.000 0.540 137 V N -0.497 119.433 119.914 0.026 0.000 2.825 137 V HA -0.102 4.017 4.120 -0.002 0.000 0.246 137 V C 2.206 178.264 176.094 -0.059 0.000 1.068 137 V CA 1.397 63.672 62.300 -0.041 0.000 1.088 137 V CB -0.314 31.531 31.823 0.036 0.000 0.733 137 V HN 0.216 nan 8.190 nan 0.000 0.468 138 R N 0.555 121.042 120.500 -0.022 0.000 2.073 138 R HA -0.105 4.234 4.340 -0.002 0.000 0.229 138 R C 2.389 178.659 176.300 -0.050 0.000 1.120 138 R CA 1.328 57.418 56.100 -0.018 0.000 0.967 138 R CB -0.306 30.001 30.300 0.011 0.000 0.862 138 R HN 0.430 nan 8.270 nan 0.000 0.436 139 K N 0.398 120.759 120.400 -0.066 0.000 2.160 139 K HA -0.163 4.156 4.320 -0.002 0.000 0.206 139 K C 1.453 177.954 176.600 -0.166 0.000 1.047 139 K CA 1.895 58.124 56.287 -0.096 0.000 0.930 139 K CB 0.034 32.483 32.500 -0.085 0.000 0.720 139 K HN 0.071 nan 8.250 nan 0.000 0.450 140 T N 0.447 114.859 114.554 -0.237 0.000 2.706 140 T HA 0.009 4.357 4.350 -0.002 0.000 0.255 140 T C 1.889 176.500 174.700 -0.148 0.000 1.048 140 T CA 1.114 63.075 62.100 -0.230 0.000 1.153 140 T CB -0.425 68.270 68.868 -0.289 0.000 0.865 140 T HN 0.418 nan 8.240 nan 0.000 0.414 141 A N 1.972 124.724 122.820 -0.112 0.000 1.915 141 A HA -0.129 4.190 4.320 -0.002 0.000 0.220 141 A C 2.582 180.118 177.584 -0.081 0.000 1.198 141 A CA 2.520 54.511 52.037 -0.076 0.000 0.647 141 A CB -1.431 17.553 19.000 -0.026 0.000 0.825 141 A HN 0.550 nan 8.150 nan 0.000 0.456 142 A N -0.695 122.086 122.820 -0.066 0.000 1.852 142 A HA -0.167 4.152 4.320 -0.002 0.000 0.217 142 A C 2.167 179.696 177.584 -0.091 0.000 1.215 142 A CA 2.559 54.560 52.037 -0.061 0.000 0.641 142 A CB -1.398 17.571 19.000 -0.052 0.000 0.838 142 A HN 0.768 nan 8.150 nan 0.000 0.450 143 V N -0.960 118.886 119.914 -0.113 0.000 2.688 143 V HA -0.276 3.843 4.120 -0.002 0.000 0.256 143 V C 2.544 178.564 176.094 -0.123 0.000 1.084 143 V CA 1.794 64.017 62.300 -0.128 0.000 1.103 143 V CB -1.386 30.351 31.823 -0.144 0.000 0.688 143 V HN 0.853 nan 8.190 nan 0.000 0.480 144 C N -0.806 118.417 119.300 -0.128 0.000 2.594 144 C HA 0.103 4.561 4.460 -0.002 0.000 0.265 144 C C 2.510 177.402 174.990 -0.163 0.000 1.351 144 C CA 0.345 59.281 59.018 -0.136 0.000 1.744 144 C CB -0.979 26.678 27.740 -0.138 0.000 1.890 144 C HN 0.384 nan 8.230 nan 0.000 0.551 145 V N 2.213 122.026 119.914 -0.169 0.000 2.261 145 V HA -0.124 3.995 4.120 -0.002 0.000 0.246 145 V C 3.060 179.095 176.094 -0.099 0.000 1.047 145 V CA 2.261 64.439 62.300 -0.203 0.000 1.015 145 V CB -1.569 30.174 31.823 -0.133 0.000 0.642 145 V HN 0.643 nan 8.190 nan 0.000 0.446 146 A N 0.218 123.000 122.820 -0.064 0.000 1.882 146 A HA -0.400 3.919 4.320 -0.002 0.000 0.220 146 A C 2.226 179.796 177.584 -0.023 0.000 1.253 146 A CA 2.912 54.923 52.037 -0.043 0.000 0.664 146 A CB -0.806 18.142 19.000 -0.086 0.000 0.838 146 A HN 0.577 nan 8.150 nan 0.000 0.460 147 K N -1.241 119.123 120.400 -0.061 0.000 2.052 147 K HA -0.238 4.081 4.320 -0.002 0.000 0.215 147 K C 1.956 178.536 176.600 -0.033 0.000 1.053 147 K CA 1.741 57.996 56.287 -0.054 0.000 0.934 147 K CB -0.542 31.911 32.500 -0.077 0.000 0.717 147 K HN 0.424 nan 8.250 nan 0.000 0.450 148 L N 1.006 122.193 121.223 -0.061 0.000 2.046 148 L HA -0.193 4.146 4.340 -0.002 0.000 0.208 148 L C 2.304 179.170 176.870 -0.008 0.000 1.077 148 L CA 1.873 56.675 54.840 -0.062 0.000 0.747 148 L CB -0.837 41.135 42.059 -0.146 0.000 0.896 148 L HN 0.312 nan 8.230 nan 0.000 0.432 149 H N -0.388 118.638 119.070 -0.073 0.000 2.357 149 H HA -0.233 4.322 4.556 -0.002 0.000 0.296 149 H C 1.870 177.181 175.328 -0.028 0.000 1.108 149 H CA 2.088 58.111 56.048 -0.041 0.000 1.273 149 H CB -0.120 29.620 29.762 -0.038 0.000 1.367 149 H HN 0.464 nan 8.280 nan 0.000 0.498 150 D N 0.622 121.111 120.400 0.148 0.000 2.144 150 D HA -0.099 4.539 4.640 -0.002 0.000 0.199 150 D C 0.947 177.276 176.300 0.048 0.000 0.984 150 D CA 0.304 54.355 54.000 0.084 0.000 0.834 150 D CB -0.287 40.532 40.800 0.031 0.000 0.955 150 D HN 0.340 nan 8.370 nan 0.000 0.465 151 I N 1.172 121.756 120.570 0.024 0.000 2.371 151 I HA 0.042 4.211 4.170 -0.002 0.000 0.290 151 I C -0.096 176.020 176.117 -0.003 0.000 1.028 151 I CA -0.447 60.858 61.300 0.008 0.000 1.345 151 I CB 0.433 38.434 38.000 0.001 0.000 1.407 151 I HN -0.105 nan 8.210 nan 0.000 0.501 152 N N 6.355 125.054 118.700 -0.001 0.000 2.293 152 N HA 0.308 5.047 4.740 -0.002 0.000 0.253 152 N C -0.690 174.804 175.510 -0.027 0.000 1.248 152 N CA 0.622 53.667 53.050 -0.008 0.000 0.845 152 N CB 0.318 38.803 38.487 -0.002 0.000 1.073 152 N HN 0.788 nan 8.380 nan 0.000 0.464 153 A N 1.663 124.457 122.820 -0.044 0.000 1.338 153 A HA -0.050 4.269 4.320 -0.002 0.000 0.355 153 A C 0.230 177.742 177.584 -0.120 0.000 0.351 153 A CA -0.667 51.334 52.037 -0.061 0.000 0.387 153 A CB -0.293 18.677 19.000 -0.050 0.000 1.868 153 A HN 0.715 nan 8.150 nan 0.000 0.382 154 Q N 2.933 122.674 119.800 -0.098 0.000 2.488 154 Q HA 0.168 4.507 4.340 -0.002 0.000 0.211 154 Q C 0.719 176.665 176.000 -0.090 0.000 0.967 154 Q CA 1.035 56.767 55.803 -0.119 0.000 0.926 154 Q CB -0.219 28.482 28.738 -0.063 0.000 0.992 154 Q HN 1.046 nan 8.270 nan 0.000 0.506 155 M N 0.502 120.065 119.600 -0.061 0.000 4.037 155 M HA -0.214 4.264 4.480 -0.002 0.000 0.157 155 M C 0.948 177.244 176.300 -0.007 0.000 1.531 155 M CA 0.561 55.847 55.300 -0.022 0.000 1.094 155 M CB -1.425 31.175 32.600 -0.000 0.000 1.346 155 M HN 0.250 nan 8.290 nan 0.000 0.202 156 V N 2.730 122.638 119.914 -0.009 0.000 2.231 156 V HA -0.297 3.822 4.120 -0.002 0.000 0.248 156 V C 1.913 178.001 176.094 -0.009 0.000 1.054 156 V CA 2.350 64.642 62.300 -0.012 0.000 1.015 156 V CB -0.808 31.004 31.823 -0.018 0.000 0.638 156 V HN 0.830 nan 8.190 nan 0.000 0.444 157 E N 0.206 120.399 120.200 -0.010 0.000 2.147 157 E HA -0.304 4.045 4.350 -0.002 0.000 0.199 157 E C 2.123 178.718 176.600 -0.009 0.000 1.005 157 E CA 1.555 57.927 56.400 -0.047 0.000 0.810 157 E CB -0.440 29.238 29.700 -0.038 0.000 0.736 157 E HN 0.681 nan 8.360 nan 0.000 0.460 158 D N 0.551 121.036 120.400 0.141 0.000 2.203 158 D HA -0.215 4.424 4.640 -0.002 0.000 0.199 158 D C 1.870 178.243 176.300 0.122 0.000 0.997 158 D CA 1.219 55.356 54.000 0.228 0.000 0.863 158 D CB 0.050 40.897 40.800 0.079 0.000 0.928 158 D HN 0.342 nan 8.370 nan 0.000 0.458 159 Q N -0.197 119.626 119.800 0.038 0.000 2.096 159 Q HA -0.115 4.223 4.340 -0.002 0.000 0.204 159 Q C 2.277 178.273 176.000 -0.007 0.000 0.982 159 Q CA 1.342 57.154 55.803 0.014 0.000 0.850 159 Q CB -0.342 28.391 28.738 -0.008 0.000 0.901 159 Q HN 0.267 nan 8.270 nan 0.000 0.422 160 G N 0.643 109.403 108.800 -0.066 0.000 2.587 160 G HA2 -0.277 3.682 3.960 -0.002 0.000 0.217 160 G HA3 -0.277 3.682 3.960 -0.002 0.000 0.217 160 G C 1.078 175.913 174.900 -0.109 0.000 1.240 160 G CA 0.978 45.986 45.100 -0.154 0.000 0.794 160 G HN 0.279 nan 8.290 nan 0.000 0.580 161 F N 0.567 120.513 119.950 -0.007 0.000 2.091 161 F HA -0.089 4.436 4.527 -0.002 0.000 0.299 161 F C 2.770 178.574 175.800 0.006 0.000 1.103 161 F CA 0.782 58.782 58.000 -0.001 0.000 1.228 161 F CB -0.426 38.573 39.000 -0.003 0.000 0.984 161 F HN 0.020 nan 8.300 nan 0.000 0.477 162 L N -0.158 121.189 121.223 0.207 0.000 2.064 162 L HA -0.332 4.007 4.340 -0.002 0.000 0.216 162 L C 2.051 178.971 176.870 0.084 0.000 1.077 162 L CA 1.525 56.440 54.840 0.125 0.000 0.766 162 L CB -0.629 41.485 42.059 0.091 0.000 0.890 162 L HN 0.175 nan 8.230 nan 0.000 0.435 163 D N -1.037 119.397 120.400 0.058 0.000 2.120 163 D HA -0.094 4.545 4.640 -0.002 0.000 0.202 163 D C 2.327 178.651 176.300 0.040 0.000 0.972 163 D CA 1.466 55.486 54.000 0.032 0.000 0.837 163 D CB -0.120 40.682 40.800 0.004 0.000 0.989 163 D HN 0.229 nan 8.370 nan 0.000 0.469 164 S N 1.097 116.828 115.700 0.052 0.000 2.420 164 S HA -0.162 4.307 4.470 -0.002 0.000 0.237 164 S C 1.844 176.493 174.600 0.081 0.000 1.023 164 S CA 0.460 58.699 58.200 0.065 0.000 0.991 164 S CB -0.152 63.112 63.200 0.108 0.000 0.792 164 S HN 0.120 nan 8.310 nan 0.000 0.488 165 L N 2.042 123.319 121.223 0.090 0.000 2.007 165 L HA 0.026 4.365 4.340 -0.002 0.000 0.205 165 L C 2.323 179.218 176.870 0.042 0.000 1.073 165 L CA 1.576 56.454 54.840 0.064 0.000 0.744 165 L CB -0.810 41.286 42.059 0.062 0.000 0.898 165 L HN 0.151 nan 8.230 nan 0.000 0.435 166 R N -0.178 120.344 120.500 0.038 0.000 2.136 166 R HA -0.224 4.115 4.340 -0.002 0.000 0.242 166 R C 1.847 178.159 176.300 0.020 0.000 1.131 166 R CA 1.928 58.043 56.100 0.024 0.000 0.937 166 R CB -0.898 29.414 30.300 0.019 0.000 0.863 166 R HN 0.488 nan 8.270 nan 0.000 0.435 167 D N 0.604 121.016 120.400 0.020 0.000 2.263 167 D HA -0.106 4.532 4.640 -0.002 0.000 0.208 167 D C 1.406 177.717 176.300 0.018 0.000 0.971 167 D CA 1.026 55.035 54.000 0.015 0.000 0.867 167 D CB 0.070 40.876 40.800 0.011 0.000 0.929 167 D HN 0.300 nan 8.370 nan 0.000 0.492 168 L N 0.641 121.878 121.223 0.024 0.000 2.685 168 L HA 0.244 4.583 4.340 -0.002 0.000 0.233 168 L C 1.886 178.770 176.870 0.024 0.000 1.173 168 L CA -0.134 54.720 54.840 0.024 0.000 0.961 168 L CB 0.153 42.230 42.059 0.029 0.000 1.217 168 L HN -0.106 nan 8.230 nan 0.000 0.478 169 I N 0.417 121.000 120.570 0.022 0.000 2.876 169 I HA -0.012 4.157 4.170 -0.002 0.000 0.264 169 I C 1.671 177.800 176.117 0.019 0.000 1.204 169 I CA 0.343 61.657 61.300 0.023 0.000 1.485 169 I CB 0.054 38.066 38.000 0.020 0.000 1.103 169 I HN 0.231 nan 8.210 nan 0.000 0.446 170 A N 1.279 124.108 122.820 0.015 0.000 3.260 170 A HA 0.140 4.458 4.320 -0.002 0.000 0.268 170 A C -0.120 177.473 177.584 0.015 0.000 1.491 170 A CA -0.221 51.824 52.037 0.013 0.000 1.181 170 A CB -0.576 18.429 19.000 0.008 0.000 1.137 170 A HN 0.214 nan 8.150 nan 0.000 0.642 171 D N -0.581 119.830 120.400 0.019 0.000 2.340 171 D HA 0.343 4.982 4.640 -0.002 0.000 0.243 171 D C 0.714 177.027 176.300 0.022 0.000 0.988 171 D CA -0.213 53.800 54.000 0.021 0.000 0.959 171 D CB 2.070 42.885 40.800 0.025 0.000 1.226 171 D HN 0.144 nan 8.370 nan 0.000 0.509 172 S N 1.060 116.773 115.700 0.022 0.000 2.428 172 S HA -0.052 4.416 4.470 -0.002 0.000 0.230 172 S C 1.013 175.628 174.600 0.025 0.000 1.014 172 S CA 0.197 58.410 58.200 0.021 0.000 0.957 172 S CB -0.041 63.171 63.200 0.020 0.000 0.784 172 S HN 0.444 nan 8.310 nan 0.000 0.499 173 N N 1.550 120.268 118.700 0.031 0.000 2.426 173 N HA 0.216 4.955 4.740 -0.002 0.000 0.275 173 N C -2.452 173.083 175.510 0.042 0.000 1.019 173 N CA -1.843 51.229 53.050 0.037 0.000 0.941 173 N CB 1.842 40.356 38.487 0.045 0.000 1.123 173 N HN -0.094 nan 8.380 nan 0.000 0.486 174 P HA -0.110 nan 4.420 nan 0.000 0.219 174 P C 1.677 179.022 177.300 0.074 0.000 1.150 174 P CA 1.142 64.271 63.100 0.048 0.000 0.814 174 P CB 0.069 31.787 31.700 0.030 0.000 0.787 175 M N -1.612 118.034 119.600 0.077 0.000 2.065 175 M HA -0.133 4.345 4.480 -0.002 0.000 0.259 175 M C 1.645 177.996 176.300 0.085 0.000 1.069 175 M CA 2.234 57.596 55.300 0.103 0.000 1.110 175 M CB -1.626 31.038 32.600 0.108 0.000 1.328 175 M HN -0.262 nan 8.290 nan 0.000 0.405 176 V N 0.835 120.786 119.914 0.062 0.000 2.233 176 V HA -0.238 3.880 4.120 -0.002 0.000 0.247 176 V C 2.672 178.791 176.094 0.042 0.000 1.050 176 V CA 2.023 64.348 62.300 0.042 0.000 1.010 176 V CB -1.047 30.798 31.823 0.036 0.000 0.637 176 V HN 0.612 nan 8.190 nan 0.000 0.444 177 V N 0.721 120.665 119.914 0.051 0.000 2.223 177 V HA -0.068 4.051 4.120 -0.002 0.000 0.244 177 V C 1.738 177.876 176.094 0.073 0.000 1.045 177 V CA 1.730 64.061 62.300 0.052 0.000 1.000 177 V CB -0.761 31.091 31.823 0.048 0.000 0.635 177 V HN 0.504 nan 8.190 nan 0.000 0.445 178 A N 1.320 124.209 122.820 0.114 0.000 3.092 178 A HA 0.207 4.526 4.320 -0.002 0.000 0.278 178 A C 0.975 178.684 177.584 0.208 0.000 1.956 178 A CA 1.042 53.204 52.037 0.209 0.000 1.501 178 A CB -1.192 17.953 19.000 0.241 0.000 0.977 178 A HN 0.830 nan 8.150 nan 0.000 0.607 179 N N -0.865 117.866 118.700 0.053 0.000 2.486 179 N HA -0.129 4.610 4.740 -0.002 0.000 0.310 179 N C 1.467 176.932 175.510 -0.076 0.000 1.055 179 N CA 0.881 53.880 53.050 -0.084 0.000 1.838 179 N CB -0.840 37.624 38.487 -0.038 0.000 2.227 179 N HN 0.460 nan 8.380 nan 0.000 1.185 180 A N 1.869 124.677 122.820 -0.020 0.000 1.858 180 A HA 0.001 4.320 4.320 -0.002 0.000 0.216 180 A C 2.181 179.759 177.584 -0.009 0.000 1.190 180 A CA 2.236 54.266 52.037 -0.011 0.000 0.617 180 A CB -0.852 18.156 19.000 0.013 0.000 0.827 180 A HN 0.115 nan 8.150 nan 0.000 0.443 181 V N -0.050 119.874 119.914 0.016 0.000 2.214 181 V HA -0.310 3.809 4.120 -0.002 0.000 0.247 181 V C 3.085 179.180 176.094 0.000 0.000 1.051 181 V CA 2.336 64.656 62.300 0.035 0.000 1.003 181 V CB -1.450 30.427 31.823 0.091 0.000 0.635 181 V HN 0.635 nan 8.190 nan 0.000 0.447 182 A N -0.300 122.489 122.820 -0.052 0.000 1.986 182 A HA -0.170 4.149 4.320 -0.002 0.000 0.220 182 A C 2.374 179.848 177.584 -0.183 0.000 1.171 182 A CA 2.388 54.307 52.037 -0.197 0.000 0.640 182 A CB -0.828 17.706 19.000 -0.777 0.000 0.811 182 A HN 0.662 nan 8.150 nan 0.000 0.451 183 A N -0.672 122.054 122.820 -0.156 0.000 1.858 183 A HA -0.017 4.302 4.320 -0.002 0.000 0.216 183 A C 2.123 179.662 177.584 -0.074 0.000 1.190 183 A CA 1.762 53.729 52.037 -0.116 0.000 0.617 183 A CB -0.630 18.315 19.000 -0.091 0.000 0.827 183 A HN 0.538 nan 8.150 nan 0.000 0.443 184 L N 0.855 122.054 121.223 -0.040 0.000 2.005 184 L HA -0.119 4.219 4.340 -0.002 0.000 0.207 184 L C 2.874 179.737 176.870 -0.012 0.000 1.072 184 L CA 2.754 57.587 54.840 -0.011 0.000 0.744 184 L CB -0.796 41.270 42.059 0.012 0.000 0.895 184 L HN 0.536 nan 8.230 nan 0.000 0.433 185 S N -1.626 114.073 115.700 -0.002 0.000 2.440 185 S HA -0.171 4.298 4.470 -0.002 0.000 0.238 185 S C 1.647 176.244 174.600 -0.005 0.000 1.010 185 S CA 1.276 59.485 58.200 0.015 0.000 0.972 185 S CB -0.532 62.692 63.200 0.041 0.000 0.774 185 S HN 0.619 nan 8.310 nan 0.000 0.501 186 E N 0.714 120.890 120.200 -0.040 0.000 2.216 186 E HA 0.181 4.530 4.350 -0.002 0.000 0.192 186 E C 1.928 178.455 176.600 -0.122 0.000 0.973 186 E CA 0.425 56.786 56.400 -0.065 0.000 0.851 186 E CB -0.225 29.428 29.700 -0.078 0.000 0.804 186 E HN 0.528 nan 8.360 nan 0.000 0.477 187 I N 1.155 121.636 120.570 -0.148 0.000 2.248 187 I HA -0.267 3.901 4.170 -0.002 0.000 0.248 187 I C 2.432 178.460 176.117 -0.147 0.000 1.107 187 I CA 0.967 62.111 61.300 -0.259 0.000 1.373 187 I CB -0.119 37.813 38.000 -0.113 0.000 1.055 187 I HN -0.034 nan 8.210 nan 0.000 0.418 188 S N -0.296 115.386 115.700 -0.031 0.000 2.515 188 S HA -0.075 4.394 4.470 -0.002 0.000 0.231 188 S C 1.298 175.944 174.600 0.077 0.000 0.987 188 S CA 0.653 58.883 58.200 0.051 0.000 0.936 188 S CB -0.289 62.955 63.200 0.074 0.000 0.766 188 S HN 0.398 nan 8.310 nan 0.000 0.528 189 E N 1.535 121.743 120.200 0.014 0.000 2.335 189 E HA 0.070 4.419 4.350 -0.002 0.000 0.191 189 E C -0.440 176.175 176.600 0.025 0.000 1.077 189 E CA -0.195 56.218 56.400 0.021 0.000 1.010 189 E CB 0.221 29.918 29.700 -0.005 0.000 1.141 189 E HN 0.330 nan 8.360 nan 0.000 0.452 190 S N -0.020 115.705 115.700 0.043 0.000 2.399 190 S HA 0.180 4.649 4.470 -0.002 0.000 0.215 190 S C -0.666 174.012 174.600 0.129 0.000 1.456 190 S CA -0.861 57.387 58.200 0.080 0.000 1.199 190 S CB 0.280 63.526 63.200 0.078 0.000 1.063 190 S HN 0.234 nan 8.310 nan 0.000 0.476 191 H N 3.442 122.530 119.070 0.031 0.000 2.821 191 H HA 0.477 5.032 4.556 -0.002 0.000 0.262 191 H C -2.436 172.912 175.328 0.034 0.000 1.402 191 H CA -1.444 54.623 56.048 0.032 0.000 1.293 191 H CB -0.093 29.683 29.762 0.024 0.000 1.533 191 H HN 0.372 nan 8.280 nan 0.000 0.528 192 P HA 0.042 nan 4.420 nan 0.000 0.269 192 P C 0.427 177.378 177.300 -0.583 0.000 1.209 192 P CA -0.308 62.631 63.100 -0.268 0.000 0.776 192 P CB 0.871 32.503 31.700 -0.114 0.000 0.876 193 N N -0.437 117.993 118.700 -0.450 0.000 2.520 193 N HA -0.051 4.687 4.740 -0.002 0.000 0.185 193 N C -0.098 175.311 175.510 -0.169 0.000 1.068 193 N CA 0.654 53.448 53.050 -0.426 0.000 0.911 193 N CB -0.203 38.220 38.487 -0.107 0.000 0.961 193 N HN 0.432 nan 8.380 nan 0.000 0.446 194 S N 0.018 115.647 115.700 -0.118 0.000 2.664 194 S HA 0.532 5.001 4.470 -0.002 0.000 0.262 194 S C -0.645 173.955 174.600 -0.000 0.000 1.229 194 S CA -1.001 57.190 58.200 -0.016 0.000 1.151 194 S CB 1.221 64.419 63.200 -0.004 0.000 1.054 194 S HN -0.045 nan 8.310 nan 0.000 0.483 195 N N 1.252 119.975 118.700 0.038 0.000 2.825 195 N HA 0.480 5.219 4.740 -0.002 0.000 0.253 195 N C -0.079 175.469 175.510 0.063 0.000 1.426 195 N CA -0.924 52.155 53.050 0.049 0.000 0.851 195 N CB 1.287 39.809 38.487 0.057 0.000 1.470 195 N HN 0.589 nan 8.380 nan 0.000 0.517 196 L N -0.291 120.961 121.223 0.049 0.000 4.179 196 L HA -0.238 4.101 4.340 -0.002 0.000 0.418 196 L C -0.152 176.729 176.870 0.018 0.000 1.168 196 L CA 0.149 55.011 54.840 0.037 0.000 0.972 196 L CB -0.827 41.260 42.059 0.047 0.000 2.005 196 L HN 0.464 nan 8.230 nan 0.000 0.935 197 L N 0.823 122.057 121.223 0.019 0.000 2.499 197 L HA 0.056 4.395 4.340 -0.002 0.000 0.281 197 L C 0.517 177.377 176.870 -0.017 0.000 1.234 197 L CA 0.697 55.543 54.840 0.011 0.000 0.839 197 L CB 0.337 42.405 42.059 0.014 0.000 1.104 197 L HN 0.016 nan 8.230 nan 0.000 0.500 198 D N 4.663 125.047 120.400 -0.027 0.000 2.441 198 D HA 0.245 4.884 4.640 -0.002 0.000 0.221 198 D C -0.022 176.240 176.300 -0.064 0.000 1.156 198 D CA 0.289 54.242 54.000 -0.078 0.000 0.896 198 D CB 0.151 40.897 40.800 -0.090 0.000 1.028 198 D HN 0.334 nan 8.370 nan 0.000 0.509 199 L N 2.207 123.392 121.223 -0.065 0.000 2.998 199 L HA 0.161 4.500 4.340 -0.002 0.000 0.234 199 L C 1.751 178.577 176.870 -0.074 0.000 1.350 199 L CA -0.294 54.515 54.840 -0.051 0.000 1.202 199 L CB -0.389 41.650 42.059 -0.034 0.000 1.583 199 L HN 0.197 nan 8.230 nan 0.000 0.456 200 N N 1.665 120.297 118.700 -0.114 0.000 2.039 200 N HA -0.103 4.636 4.740 -0.002 0.000 0.193 200 N C -0.606 174.833 175.510 -0.119 0.000 1.044 200 N CA 1.541 54.479 53.050 -0.188 0.000 0.847 200 N CB -0.679 37.580 38.487 -0.379 0.000 1.030 200 N HN 0.180 nan 8.380 nan 0.000 0.422 201 P HA -0.150 nan 4.420 nan 0.000 0.217 201 P C 1.251 178.533 177.300 -0.030 0.000 1.151 201 P CA 1.619 64.698 63.100 -0.035 0.000 0.849 201 P CB -0.018 31.671 31.700 -0.018 0.000 0.787 202 Q N -1.093 118.687 119.800 -0.033 0.000 1.993 202 Q HA -0.167 4.172 4.340 -0.002 0.000 0.202 202 Q C 2.054 178.038 176.000 -0.027 0.000 0.984 202 Q CA 1.404 57.193 55.803 -0.024 0.000 0.837 202 Q CB -0.695 28.030 28.738 -0.021 0.000 0.902 202 Q HN 0.247 nan 8.270 nan 0.000 0.423 203 N N 0.791 119.463 118.700 -0.047 0.000 2.037 203 N HA -0.191 4.548 4.740 -0.002 0.000 0.196 203 N C 1.801 177.290 175.510 -0.034 0.000 1.034 203 N CA 1.446 54.467 53.050 -0.049 0.000 0.861 203 N CB -0.388 38.043 38.487 -0.093 0.000 1.039 203 N HN 0.251 nan 8.380 nan 0.000 0.427 204 I N 0.821 121.364 120.570 -0.046 0.000 2.113 204 I HA -0.250 3.919 4.170 -0.002 0.000 0.238 204 I C 1.633 177.757 176.117 0.011 0.000 1.070 204 I CA 1.068 62.365 61.300 -0.004 0.000 1.332 204 I CB -0.408 37.596 38.000 0.006 0.000 1.044 204 I HN 0.082 nan 8.210 nan 0.000 0.402 205 N N 1.146 119.847 118.700 0.002 0.000 2.104 205 N HA -0.186 4.553 4.740 -0.002 0.000 0.190 205 N C 1.728 177.243 175.510 0.008 0.000 1.024 205 N CA 1.390 54.443 53.050 0.006 0.000 0.853 205 N CB -0.248 38.239 38.487 -0.000 0.000 1.008 205 N HN 0.311 nan 8.380 nan 0.000 0.424 206 K N -0.045 120.358 120.400 0.005 0.000 2.365 206 K HA 0.153 4.472 4.320 -0.002 0.000 0.197 206 K C 1.685 178.294 176.600 0.016 0.000 1.042 206 K CA 0.156 56.448 56.287 0.009 0.000 0.987 206 K CB 0.160 32.664 32.500 0.006 0.000 0.779 206 K HN 0.137 nan 8.250 nan 0.000 0.484 207 L N 0.304 121.539 121.223 0.020 0.000 2.102 207 L HA -0.057 4.282 4.340 -0.002 0.000 0.202 207 L C 1.429 178.317 176.870 0.031 0.000 1.076 207 L CA 0.751 55.609 54.840 0.030 0.000 0.761 207 L CB -0.079 42.003 42.059 0.037 0.000 0.921 207 L HN 0.095 nan 8.230 nan 0.000 0.444 208 L N -0.344 120.898 121.223 0.031 0.000 2.798 208 L HA -0.014 4.324 4.340 -0.002 0.000 0.254 208 L C 1.027 177.909 176.870 0.019 0.000 1.176 208 L CA 0.292 55.150 54.840 0.030 0.000 0.991 208 L CB -0.684 41.399 42.059 0.040 0.000 1.225 208 L HN 0.259 nan 8.230 nan 0.000 0.420 209 T N -2.372 112.191 114.554 0.015 0.000 3.177 209 T HA 0.150 4.499 4.350 -0.002 0.000 0.262 209 T C 1.965 176.669 174.700 0.008 0.000 0.959 209 T CA 0.421 62.526 62.100 0.009 0.000 0.996 209 T CB 0.184 69.058 68.868 0.009 0.000 1.185 209 T HN 0.236 nan 8.240 nan 0.000 0.486 210 A N 2.330 125.158 122.820 0.014 0.000 1.884 210 A HA -0.130 4.189 4.320 -0.002 0.000 0.219 210 A C 2.167 179.754 177.584 0.005 0.000 1.197 210 A CA 2.002 54.049 52.037 0.017 0.000 0.637 210 A CB -1.046 17.973 19.000 0.031 0.000 0.827 210 A HN 0.419 nan 8.150 nan 0.000 0.450 211 L N 0.152 121.378 121.223 0.004 0.000 2.351 211 L HA -0.193 4.146 4.340 -0.002 0.000 0.220 211 L C 1.394 178.245 176.870 -0.032 0.000 1.127 211 L CA 2.509 57.341 54.840 -0.014 0.000 0.786 211 L CB -0.637 41.422 42.059 -0.001 0.000 0.914 211 L HN 0.495 nan 8.230 nan 0.000 0.443 212 N N -1.077 117.610 118.700 -0.023 0.000 2.545 212 N HA -0.035 4.704 4.740 -0.002 0.000 0.190 212 N C 1.532 177.020 175.510 -0.037 0.000 1.043 212 N CA 0.763 53.796 53.050 -0.028 0.000 0.879 212 N CB -0.255 38.224 38.487 -0.013 0.000 1.210 212 N HN 0.452 nan 8.380 nan 0.000 0.437 213 E N 0.433 120.617 120.200 -0.027 0.000 2.418 213 E HA 0.045 4.394 4.350 -0.002 0.000 0.197 213 E C -0.011 176.563 176.600 -0.044 0.000 1.026 213 E CA -0.050 56.333 56.400 -0.028 0.000 0.862 213 E CB 0.207 29.900 29.700 -0.012 0.000 0.799 213 E HN 0.173 nan 8.360 nan 0.000 0.518 214 C N 1.163 120.430 119.300 -0.055 0.000 2.689 214 C HA 0.047 4.506 4.460 -0.002 0.000 0.409 214 C C 1.188 176.085 174.990 -0.155 0.000 1.293 214 C CA -0.117 58.857 59.018 -0.074 0.000 2.136 214 C CB 0.371 28.072 27.740 -0.067 0.000 2.719 214 C HN 0.249 nan 8.230 nan 0.000 0.644 215 T N 2.240 116.706 114.554 -0.147 0.000 2.855 215 T HA -0.020 4.329 4.350 -0.002 0.000 0.322 215 T C 1.277 175.685 174.700 -0.487 0.000 1.088 215 T CA 0.424 62.365 62.100 -0.265 0.000 1.104 215 T CB 0.320 69.152 68.868 -0.061 0.000 0.996 215 T HN 0.900 nan 8.240 nan 0.000 0.549 216 E N 0.867 120.532 120.200 -0.891 0.000 2.240 216 E HA -0.279 4.070 4.350 -0.002 0.000 0.236 216 E C 1.391 177.483 176.600 -0.847 0.000 1.085 216 E CA 2.727 58.468 56.400 -1.097 0.000 0.979 216 E CB -0.169 28.566 29.700 -1.608 0.000 0.845 216 E HN 0.830 nan 8.360 nan 0.000 0.483 217 W N -0.996 120.181 121.300 -0.205 0.000 2.640 217 W HA 0.297 4.956 4.660 -0.002 0.000 0.268 217 W C 2.260 178.284 176.519 -0.825 0.000 1.263 217 W CA 0.037 57.154 57.345 -0.380 0.000 1.344 217 W CB -0.519 28.932 29.460 -0.015 0.000 1.093 217 W HN 0.177 nan 8.180 nan 0.000 0.603 218 G N 1.033 109.726 108.800 -0.178 0.000 2.414 218 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.215 218 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.215 218 G C 1.247 176.027 174.900 -0.199 0.000 1.188 218 G CA 1.147 46.212 45.100 -0.059 0.000 0.783 218 G HN 0.253 nan 8.290 nan 0.000 0.537 219 Q N 0.119 119.790 119.800 -0.216 0.000 1.803 219 Q HA -0.233 4.106 4.340 -0.002 0.000 0.292 219 Q C 2.478 178.333 176.000 -0.241 0.000 1.038 219 Q CA 2.007 57.698 55.803 -0.187 0.000 0.889 219 Q CB -0.537 28.082 28.738 -0.197 0.000 0.979 219 Q HN 0.466 nan 8.270 nan 0.000 0.415 220 I N -0.046 120.325 120.570 -0.331 0.000 2.237 220 I HA -0.378 3.790 4.170 -0.002 0.000 0.245 220 I C 2.131 178.117 176.117 -0.217 0.000 1.013 220 I CA 1.950 63.070 61.300 -0.300 0.000 1.298 220 I CB -0.464 37.355 38.000 -0.302 0.000 0.995 220 I HN 0.254 nan 8.210 nan 0.000 0.422 221 F N -0.761 119.232 119.950 0.072 0.000 2.512 221 F HA 0.071 4.597 4.527 -0.002 0.000 0.296 221 F C 2.171 177.996 175.800 0.043 0.000 1.110 221 F CA 0.266 58.301 58.000 0.058 0.000 1.446 221 F CB -0.640 38.395 39.000 0.058 0.000 1.092 221 F HN -0.039 nan 8.300 nan 0.000 0.554 222 I N 0.553 121.215 120.570 0.153 0.000 2.110 222 I HA -0.267 3.902 4.170 -0.002 0.000 0.236 222 I C 2.403 178.564 176.117 0.073 0.000 1.068 222 I CA 1.262 62.628 61.300 0.109 0.000 1.333 222 I CB -0.577 37.463 38.000 0.067 0.000 1.054 222 I HN 0.086 nan 8.210 nan 0.000 0.402 223 L N 0.450 121.690 121.223 0.029 0.000 2.085 223 L HA -0.354 3.985 4.340 -0.002 0.000 0.218 223 L C 2.000 178.886 176.870 0.027 0.000 1.080 223 L CA 1.824 56.673 54.840 0.016 0.000 0.776 223 L CB -0.815 41.233 42.059 -0.020 0.000 0.891 223 L HN 0.345 nan 8.230 nan 0.000 0.437 224 D N -1.509 118.922 120.400 0.051 0.000 2.144 224 D HA -0.173 4.466 4.640 -0.002 0.000 0.200 224 D C 2.186 178.528 176.300 0.070 0.000 0.978 224 D CA 1.057 55.094 54.000 0.061 0.000 0.833 224 D CB -0.106 40.754 40.800 0.100 0.000 0.961 224 D HN 0.329 nan 8.370 nan 0.000 0.470 225 C N -0.015 119.342 119.300 0.095 0.000 2.435 225 C HA 0.012 4.471 4.460 -0.002 0.000 0.279 225 C C 2.435 177.492 174.990 0.112 0.000 1.321 225 C CA 0.135 59.209 59.018 0.094 0.000 1.752 225 C CB -1.169 26.626 27.740 0.093 0.000 1.959 225 C HN 0.301 nan 8.230 nan 0.000 0.500 226 L N 0.506 121.801 121.223 0.120 0.000 1.924 226 L HA -0.182 4.157 4.340 -0.002 0.000 0.222 226 L C 2.682 179.674 176.870 0.203 0.000 1.081 226 L CA 2.152 57.107 54.840 0.192 0.000 0.780 226 L CB -1.005 41.163 42.059 0.182 0.000 0.891 226 L HN 0.187 nan 8.230 nan 0.000 0.434 227 S N -0.068 115.652 115.700 0.033 0.000 2.448 227 S HA -0.288 4.181 4.470 -0.002 0.000 0.247 227 S C 1.621 176.225 174.600 0.008 0.000 1.033 227 S CA 1.762 59.899 58.200 -0.105 0.000 1.003 227 S CB -0.687 62.410 63.200 -0.171 0.000 0.786 227 S HN 0.425 nan 8.310 nan 0.000 0.495 228 N N 0.174 118.922 118.700 0.080 0.000 2.309 228 N HA -0.082 4.657 4.740 -0.002 0.000 0.182 228 N C 0.269 175.886 175.510 0.177 0.000 1.018 228 N CA 0.685 53.790 53.050 0.092 0.000 0.876 228 N CB -0.131 38.411 38.487 0.092 0.000 0.972 228 N HN 0.539 nan 8.380 nan 0.000 0.434 229 Y N 0.657 121.035 120.300 0.130 0.000 2.352 229 Y HA 0.441 4.990 4.550 -0.002 0.000 0.326 229 Y C -0.726 175.292 175.900 0.198 0.000 1.166 229 Y CA -1.123 57.060 58.100 0.138 0.000 1.182 229 Y CB 0.562 39.094 38.460 0.120 0.000 1.216 229 Y HN -0.076 nan 8.280 nan 0.000 0.474 230 N N 7.810 126.130 118.700 -0.634 0.000 2.437 230 N HA 0.312 5.050 4.740 -0.002 0.000 0.259 230 N C -2.599 172.255 175.510 -1.094 0.000 0.983 230 N CA -1.371 51.318 53.050 -0.602 0.000 0.937 230 N CB 1.570 39.900 38.487 -0.262 0.000 1.122 230 N HN 0.500 nan 8.380 nan 0.000 0.499 231 P HA 0.279 nan 4.420 nan 0.000 0.293 231 P C 0.166 177.296 177.300 -0.283 0.000 1.298 231 P CA -0.053 62.732 63.100 -0.525 0.000 0.757 231 P CB 1.266 32.659 31.700 -0.513 0.000 1.262 232 K N -1.673 118.627 120.400 -0.168 0.000 2.574 232 K HA 0.210 4.529 4.320 -0.002 0.000 0.215 232 K C -0.382 176.179 176.600 -0.064 0.000 1.485 232 K CA 0.047 56.278 56.287 -0.094 0.000 1.006 232 K CB 0.567 33.033 32.500 -0.057 0.000 1.254 232 K HN 0.406 nan 8.250 nan 0.000 0.580 233 D N 0.966 121.326 120.400 -0.068 0.000 2.527 233 D HA 0.143 4.782 4.640 -0.002 0.000 0.233 233 D C -0.385 175.893 176.300 -0.037 0.000 1.063 233 D CA -0.552 53.423 54.000 -0.041 0.000 0.880 233 D CB 1.887 42.668 40.800 -0.032 0.000 1.457 233 D HN -0.253 nan 8.370 nan 0.000 0.475 234 D N 0.568 120.960 120.400 -0.012 0.000 2.182 234 D HA -0.186 4.453 4.640 -0.002 0.000 0.193 234 D C 1.799 178.097 176.300 -0.003 0.000 0.999 234 D CA 1.647 55.654 54.000 0.011 0.000 0.850 234 D CB 0.064 40.875 40.800 0.019 0.000 0.994 234 D HN 0.321 nan 8.370 nan 0.000 0.450 235 R N 0.285 120.774 120.500 -0.020 0.000 2.193 235 R HA -0.086 4.253 4.340 -0.002 0.000 0.229 235 R C 2.144 178.416 176.300 -0.047 0.000 1.110 235 R CA 0.725 56.801 56.100 -0.040 0.000 0.988 235 R CB -0.107 30.169 30.300 -0.039 0.000 0.871 235 R HN 0.390 nan 8.270 nan 0.000 0.458 236 E N 0.970 121.141 120.200 -0.049 0.000 2.017 236 E HA -0.203 4.146 4.350 -0.002 0.000 0.193 236 E C 1.979 178.519 176.600 -0.100 0.000 0.997 236 E CA 1.254 57.615 56.400 -0.066 0.000 0.804 236 E CB -0.043 29.613 29.700 -0.075 0.000 0.757 236 E HN 0.325 nan 8.360 nan 0.000 0.448 237 A N 1.048 123.794 122.820 -0.123 0.000 1.851 237 A HA -0.292 4.027 4.320 -0.002 0.000 0.216 237 A C 2.143 179.756 177.584 0.048 0.000 1.195 237 A CA 1.942 53.909 52.037 -0.116 0.000 0.622 237 A CB -0.852 18.122 19.000 -0.043 0.000 0.831 237 A HN 0.384 nan 8.150 nan 0.000 0.444 238 Q N -0.048 119.788 119.800 0.059 0.000 2.012 238 Q HA -0.278 4.060 4.340 -0.002 0.000 0.211 238 Q C 2.571 178.529 176.000 -0.070 0.000 1.009 238 Q CA 2.760 58.560 55.803 -0.005 0.000 0.866 238 Q CB -0.543 28.089 28.738 -0.178 0.000 0.945 238 Q HN 0.870 nan 8.270 nan 0.000 0.414 239 S N 0.481 116.133 115.700 -0.079 0.000 2.368 239 S HA -0.149 4.319 4.470 -0.002 0.000 0.225 239 S C 2.017 176.627 174.600 0.016 0.000 1.030 239 S CA 1.150 59.315 58.200 -0.058 0.000 0.999 239 S CB -0.681 62.489 63.200 -0.049 0.000 0.844 239 S HN 0.312 nan 8.310 nan 0.000 0.459 240 I N 1.388 121.984 120.570 0.043 0.000 2.194 240 I HA -0.246 3.923 4.170 -0.002 0.000 0.246 240 I C 2.594 178.811 176.117 0.167 0.000 1.093 240 I CA 1.258 62.620 61.300 0.103 0.000 1.355 240 I CB -0.694 37.370 38.000 0.107 0.000 1.046 240 I HN 0.426 nan 8.210 nan 0.000 0.413 241 C N 0.604 120.037 119.300 0.222 0.000 2.440 241 C HA -0.119 4.339 4.460 -0.002 0.000 0.278 241 C C 2.612 177.747 174.990 0.241 0.000 1.295 241 C CA 0.727 59.912 59.018 0.278 0.000 1.738 241 C CB -1.074 26.911 27.740 0.409 0.000 1.987 241 C HN 0.503 nan 8.230 nan 0.000 0.492 242 E N 0.250 120.574 120.200 0.206 0.000 2.150 242 E HA -0.146 4.202 4.350 -0.002 0.000 0.193 242 E C 2.351 179.003 176.600 0.086 0.000 0.985 242 E CA 0.703 57.189 56.400 0.143 0.000 0.814 242 E CB -0.191 29.528 29.700 0.032 0.000 0.752 242 E HN 0.576 nan 8.360 nan 0.000 0.466 243 R N 0.485 121.028 120.500 0.071 0.000 2.092 243 R HA -0.082 4.257 4.340 -0.002 0.000 0.231 243 R C 2.355 178.688 176.300 0.055 0.000 1.119 243 R CA 0.834 56.966 56.100 0.053 0.000 0.970 243 R CB -0.084 30.245 30.300 0.049 0.000 0.864 243 R HN 0.054 nan 8.270 nan 0.000 0.440 244 V N 0.049 120.008 119.914 0.075 0.000 2.283 244 V HA -0.230 3.889 4.120 -0.002 0.000 0.243 244 V C 2.097 178.215 176.094 0.040 0.000 1.039 244 V CA 2.008 64.343 62.300 0.058 0.000 1.016 244 V CB -0.570 31.298 31.823 0.075 0.000 0.650 244 V HN 0.377 nan 8.190 nan 0.000 0.449 245 T N 0.667 115.255 114.554 0.057 0.000 2.719 245 T HA -0.241 4.107 4.350 -0.002 0.000 0.254 245 T C -0.032 174.681 174.700 0.021 0.000 1.106 245 T CA 2.675 64.800 62.100 0.042 0.000 1.146 245 T CB -1.539 67.374 68.868 0.074 0.000 0.839 245 T HN 0.520 nan 8.240 nan 0.000 0.473 246 P HA -0.077 nan 4.420 nan 0.000 0.224 246 P C 0.306 177.604 177.300 -0.005 0.000 1.142 246 P CA 0.812 63.916 63.100 0.007 0.000 0.778 246 P CB -0.150 31.554 31.700 0.006 0.000 0.764 247 R N 1.231 121.726 120.500 -0.007 0.000 3.641 247 R HA 0.104 4.443 4.340 -0.002 0.000 0.189 247 R C 0.535 176.822 176.300 -0.023 0.000 1.706 247 R CA -0.153 55.935 56.100 -0.019 0.000 1.311 247 R CB -1.444 28.842 30.300 -0.023 0.000 1.330 247 R HN 0.265 nan 8.270 nan 0.000 0.727 248 L N -1.641 119.568 121.223 -0.023 0.000 3.154 248 L HA 0.379 4.718 4.340 -0.002 0.000 0.266 248 L C 0.846 177.696 176.870 -0.034 0.000 1.300 248 L CA -0.506 54.316 54.840 -0.030 0.000 1.028 248 L CB 0.100 42.143 42.059 -0.027 0.000 1.412 248 L HN 0.137 nan 8.230 nan 0.000 0.564 249 S N -1.284 114.397 115.700 -0.032 0.000 4.041 249 S HA 0.230 4.699 4.470 -0.002 0.000 0.194 249 S C 1.424 176.007 174.600 -0.029 0.000 0.942 249 S CA 0.711 58.898 58.200 -0.021 0.000 1.642 249 S CB -0.275 62.920 63.200 -0.008 0.000 0.665 249 S HN 0.546 nan 8.310 nan 0.000 0.698 250 H N 1.305 120.300 119.070 -0.124 0.000 2.281 250 H HA 0.441 4.996 4.556 -0.002 0.000 0.310 250 H C 1.221 176.440 175.328 -0.181 0.000 1.052 250 H CA 1.069 57.025 56.048 -0.154 0.000 1.331 250 H CB -0.911 28.738 29.762 -0.190 0.000 1.419 250 H HN 0.671 nan 8.280 nan 0.000 0.518 251 A N 1.700 124.500 122.820 -0.033 0.000 3.052 251 A HA -0.104 4.215 4.320 -0.002 0.000 0.285 251 A C 1.417 178.921 177.584 -0.133 0.000 1.928 251 A CA 0.626 52.567 52.037 -0.159 0.000 1.453 251 A CB -1.402 17.477 19.000 -0.202 0.000 0.970 251 A HN 0.783 nan 8.150 nan 0.000 0.603 252 N N 1.248 119.848 118.700 -0.166 0.000 1.887 252 N HA -0.314 4.425 4.740 -0.002 0.000 0.138 252 N C 1.498 176.966 175.510 -0.069 0.000 0.562 252 N CA 2.794 55.778 53.050 -0.110 0.000 0.831 252 N CB -0.274 38.155 38.487 -0.097 0.000 0.819 252 N HN 0.543 nan 8.380 nan 0.000 1.287 253 S N -1.385 114.286 115.700 -0.048 0.000 2.691 253 S HA 0.410 4.879 4.470 -0.002 0.000 0.241 253 S C 1.825 176.418 174.600 -0.012 0.000 1.077 253 S CA 0.337 58.524 58.200 -0.022 0.000 0.900 253 S CB -0.062 63.138 63.200 0.001 0.000 0.805 253 S HN 0.626 nan 8.310 nan 0.000 0.529 254 A N 1.389 124.209 122.820 -0.000 0.000 1.968 254 A HA 0.077 4.396 4.320 -0.002 0.000 0.217 254 A C 2.150 179.719 177.584 -0.026 0.000 1.169 254 A CA 1.059 53.102 52.037 0.010 0.000 0.638 254 A CB -0.691 18.343 19.000 0.058 0.000 0.812 254 A HN 0.293 nan 8.150 nan 0.000 0.446 255 V N -0.630 119.251 119.914 -0.055 0.000 2.244 255 V HA -0.211 3.908 4.120 -0.002 0.000 0.244 255 V C 2.523 178.585 176.094 -0.052 0.000 1.042 255 V CA 1.840 64.097 62.300 -0.071 0.000 1.006 255 V CB -0.895 30.878 31.823 -0.083 0.000 0.641 255 V HN 0.340 nan 8.190 nan 0.000 0.446 256 V N 0.154 120.041 119.914 -0.046 0.000 2.218 256 V HA -0.342 3.777 4.120 -0.002 0.000 0.251 256 V C 2.310 178.382 176.094 -0.036 0.000 1.057 256 V CA 2.627 64.904 62.300 -0.040 0.000 1.022 256 V CB -0.606 31.194 31.823 -0.039 0.000 0.645 256 V HN 0.477 nan 8.190 nan 0.000 0.451 257 L N -0.321 120.884 121.223 -0.029 0.000 2.349 257 L HA -0.144 4.195 4.340 -0.002 0.000 0.220 257 L C 2.350 179.202 176.870 -0.029 0.000 1.130 257 L CA 1.309 56.134 54.840 -0.025 0.000 0.791 257 L CB -0.546 41.506 42.059 -0.012 0.000 0.918 257 L HN 0.324 nan 8.230 nan 0.000 0.444 258 S N -0.615 115.066 115.700 -0.031 0.000 2.458 258 S HA 0.098 4.566 4.470 -0.002 0.000 0.223 258 S C 2.118 176.689 174.600 -0.049 0.000 1.019 258 S CA 0.655 58.834 58.200 -0.035 0.000 0.937 258 S CB 0.239 63.422 63.200 -0.027 0.000 0.788 258 S HN 0.464 nan 8.310 nan 0.000 0.511 259 A N 1.752 124.545 122.820 -0.046 0.000 1.824 259 A HA -0.062 4.257 4.320 -0.002 0.000 0.215 259 A C 2.204 179.750 177.584 -0.063 0.000 1.209 259 A CA 1.767 53.777 52.037 -0.045 0.000 0.614 259 A CB -1.339 17.640 19.000 -0.035 0.000 0.852 259 A HN 0.267 nan 8.150 nan 0.000 0.447 260 V N 0.955 120.834 119.914 -0.059 0.000 2.311 260 V HA -0.419 3.700 4.120 -0.002 0.000 0.259 260 V C 2.584 178.621 176.094 -0.094 0.000 1.086 260 V CA 2.864 65.122 62.300 -0.070 0.000 1.078 260 V CB -0.962 30.829 31.823 -0.053 0.000 0.668 260 V HN 0.762 nan 8.190 nan 0.000 0.452 261 K N -0.281 120.063 120.400 -0.093 0.000 2.044 261 K HA -0.200 4.119 4.320 -0.002 0.000 0.210 261 K C 1.987 178.464 176.600 -0.205 0.000 1.049 261 K CA 2.154 58.367 56.287 -0.123 0.000 0.927 261 K CB -0.250 32.190 32.500 -0.100 0.000 0.713 261 K HN 0.358 nan 8.250 nan 0.000 0.443 262 V N 1.680 121.460 119.914 -0.224 0.000 2.283 262 V HA -0.203 3.916 4.120 -0.002 0.000 0.243 262 V C 2.162 178.016 176.094 -0.401 0.000 1.039 262 V CA 1.547 63.611 62.300 -0.393 0.000 1.016 262 V CB -0.400 31.290 31.823 -0.221 0.000 0.650 262 V HN 0.343 nan 8.190 nan 0.000 0.449 263 L N -0.903 120.213 121.223 -0.178 0.000 2.651 263 L HA -0.129 4.210 4.340 -0.002 0.000 0.236 263 L C 1.956 178.753 176.870 -0.123 0.000 1.173 263 L CA 1.244 56.028 54.840 -0.095 0.000 0.843 263 L CB -0.447 41.567 42.059 -0.075 0.000 0.964 263 L HN 0.404 nan 8.230 nan 0.000 0.454 264 M N -2.103 117.390 119.600 -0.177 0.000 2.198 264 M HA 0.016 4.495 4.480 -0.002 0.000 0.326 264 M C 1.846 178.064 176.300 -0.136 0.000 0.924 264 M CA 0.217 55.433 55.300 -0.139 0.000 1.118 264 M CB 0.712 33.237 32.600 -0.125 0.000 1.947 264 M HN 0.024 nan 8.290 nan 0.000 0.662 265 K N 1.219 121.472 120.400 -0.245 0.000 2.007 265 K HA 0.017 4.336 4.320 -0.002 0.000 0.206 265 K C 0.710 177.321 176.600 0.017 0.000 1.047 265 K CA 1.306 57.477 56.287 -0.194 0.000 0.937 265 K CB 0.046 32.329 32.500 -0.362 0.000 0.718 265 K HN 0.219 nan 8.250 nan 0.000 0.438 266 F N 1.762 121.704 119.950 -0.015 0.000 2.778 266 F HA 0.062 4.588 4.527 -0.002 0.000 0.295 266 F C 0.227 176.035 175.800 0.013 0.000 1.262 266 F CA -0.799 57.204 58.000 0.005 0.000 1.429 266 F CB 0.177 39.191 39.000 0.024 0.000 1.072 266 F HN 0.012 nan 8.300 nan 0.000 0.514 267 L N 2.910 124.213 121.223 0.132 0.000 2.504 267 L HA 0.289 4.627 4.340 -0.002 0.000 0.249 267 L C -0.207 176.768 176.870 0.175 0.000 1.120 267 L CA -0.554 54.349 54.840 0.105 0.000 0.997 267 L CB -0.412 41.623 42.059 -0.040 0.000 1.349 267 L HN 0.315 nan 8.230 nan 0.000 0.439 268 E N 2.779 123.099 120.200 0.201 0.000 2.404 268 E HA 0.546 4.895 4.350 -0.002 0.000 0.298 268 E C -1.702 174.984 176.600 0.143 0.000 0.908 268 E CA -0.757 55.739 56.400 0.160 0.000 0.808 268 E CB 1.495 31.255 29.700 0.100 0.000 1.380 268 E HN 0.099 nan 8.360 nan 0.000 0.392 269 L N 1.915 123.220 121.223 0.136 0.000 2.479 269 L HA 0.411 4.750 4.340 -0.002 0.000 0.255 269 L C -0.816 176.060 176.870 0.010 0.000 1.026 269 L CA -0.824 54.084 54.840 0.112 0.000 0.842 269 L CB 2.087 44.289 42.059 0.239 0.000 1.444 269 L HN 0.717 nan 8.230 nan 0.000 0.409 270 L N 4.379 125.607 121.223 0.007 0.000 2.536 270 L HA 0.151 4.490 4.340 -0.002 0.000 0.282 270 L C -1.310 175.534 176.870 -0.043 0.000 1.147 270 L CA -1.107 53.712 54.840 -0.035 0.000 0.936 270 L CB 0.256 42.306 42.059 -0.015 0.000 1.279 270 L HN 0.541 nan 8.230 nan 0.000 0.461 271 P HA -0.196 nan 4.420 nan 0.000 0.205 271 P C -0.433 176.855 177.300 -0.020 0.000 1.164 271 P CA 1.505 64.453 63.100 -0.253 0.000 0.938 271 P CB 0.128 31.402 31.700 -0.710 0.000 0.777 272 K N -1.432 118.937 120.400 -0.051 0.000 3.029 272 K HA 0.280 4.599 4.320 -0.002 0.000 0.169 272 K C -0.763 175.839 176.600 0.004 0.000 1.090 272 K CA -0.282 56.012 56.287 0.012 0.000 0.883 272 K CB 0.616 33.124 32.500 0.014 0.000 1.080 272 K HN -0.094 nan 8.250 nan 0.000 0.613 273 D N 1.032 121.439 120.400 0.012 0.000 2.144 273 D HA -0.069 4.570 4.640 -0.002 0.000 0.207 273 D C 0.183 176.498 176.300 0.024 0.000 0.970 273 D CA 0.873 54.880 54.000 0.011 0.000 0.853 273 D CB 0.229 41.033 40.800 0.008 0.000 1.007 273 D HN 0.311 nan 8.370 nan 0.000 0.469 274 S N 0.239 115.962 115.700 0.039 0.000 2.593 274 S HA 0.416 4.885 4.470 -0.002 0.000 0.297 274 S C -0.861 173.794 174.600 0.092 0.000 1.112 274 S CA -0.898 57.335 58.200 0.056 0.000 1.043 274 S CB 1.554 64.784 63.200 0.051 0.000 1.054 274 S HN -0.029 nan 8.310 nan 0.000 0.516 275 D N 1.358 121.821 120.400 0.104 0.000 2.741 275 D HA 0.190 4.829 4.640 -0.002 0.000 0.233 275 D C 0.012 176.431 176.300 0.199 0.000 1.160 275 D CA -0.263 53.814 54.000 0.129 0.000 1.003 275 D CB -0.056 40.800 40.800 0.093 0.000 1.064 275 D HN 0.491 nan 8.370 nan 0.000 0.503 276 Y N 0.836 121.188 120.300 0.087 0.000 2.130 276 Y HA -0.215 4.334 4.550 -0.002 0.000 0.287 276 Y C 1.717 177.691 175.900 0.124 0.000 1.124 276 Y CA 1.241 59.394 58.100 0.089 0.000 1.118 276 Y CB -0.675 37.833 38.460 0.080 0.000 0.994 276 Y HN 0.297 nan 8.280 nan 0.000 0.497 277 Y N 1.514 121.758 120.300 -0.093 0.000 2.108 277 Y HA -0.411 4.137 4.550 -0.002 0.000 0.274 277 Y C 2.280 178.096 175.900 -0.140 0.000 1.229 277 Y CA 2.620 60.632 58.100 -0.146 0.000 1.129 277 Y CB -0.706 37.730 38.460 -0.040 0.000 0.946 277 Y HN 0.279 nan 8.280 nan 0.000 0.509 278 N N -0.901 117.864 118.700 0.108 0.000 2.515 278 N HA -0.096 4.643 4.740 -0.002 0.000 0.185 278 N C 1.340 176.840 175.510 -0.017 0.000 1.109 278 N CA 0.699 53.778 53.050 0.049 0.000 0.903 278 N CB 0.065 38.601 38.487 0.082 0.000 0.969 278 N HN 0.385 nan 8.380 nan 0.000 0.450 279 M N 0.457 120.024 119.600 -0.056 0.000 2.384 279 M HA 0.076 4.555 4.480 -0.002 0.000 0.258 279 M C 1.886 178.112 176.300 -0.123 0.000 1.130 279 M CA 0.603 55.877 55.300 -0.044 0.000 1.187 279 M CB -0.853 31.775 32.600 0.047 0.000 1.307 279 M HN -0.024 nan 8.290 nan 0.000 0.468 280 L N 0.520 121.573 121.223 -0.282 0.000 2.026 280 L HA -0.305 4.034 4.340 -0.002 0.000 0.231 280 L C 2.050 178.789 176.870 -0.218 0.000 1.095 280 L CA 2.122 56.772 54.840 -0.317 0.000 0.810 280 L CB -0.915 40.819 42.059 -0.542 0.000 0.909 280 L HN 0.384 nan 8.230 nan 0.000 0.444 281 L N -1.182 119.901 121.223 -0.235 0.000 2.191 281 L HA -0.212 4.127 4.340 -0.002 0.000 0.212 281 L C 2.618 179.431 176.870 -0.096 0.000 1.103 281 L CA 1.249 55.986 54.840 -0.171 0.000 0.769 281 L CB -0.859 41.098 42.059 -0.170 0.000 0.908 281 L HN 0.392 nan 8.230 nan 0.000 0.438 282 K N 0.666 121.021 120.400 -0.076 0.000 2.062 282 K HA -0.136 4.183 4.320 -0.002 0.000 0.205 282 K C 2.136 178.711 176.600 -0.042 0.000 1.051 282 K CA 1.069 57.331 56.287 -0.042 0.000 0.941 282 K CB 0.066 32.552 32.500 -0.024 0.000 0.719 282 K HN 0.241 nan 8.250 nan 0.000 0.440 283 K N 0.488 120.856 120.400 -0.053 0.000 2.063 283 K HA -0.129 4.190 4.320 -0.002 0.000 0.208 283 K C 1.824 178.396 176.600 -0.046 0.000 1.048 283 K CA 1.006 57.267 56.287 -0.044 0.000 0.928 283 K CB -0.044 32.428 32.500 -0.046 0.000 0.713 283 K HN -0.033 nan 8.250 nan 0.000 0.442 284 L N 0.301 121.486 121.223 -0.063 0.000 2.465 284 L HA -0.022 4.317 4.340 -0.002 0.000 0.224 284 L C 1.958 178.806 176.870 -0.037 0.000 1.145 284 L CA 0.983 55.789 54.840 -0.058 0.000 0.834 284 L CB -0.895 41.117 42.059 -0.080 0.000 0.944 284 L HN 0.117 nan 8.230 nan 0.000 0.451 285 A N 0.524 123.325 122.820 -0.031 0.000 1.825 285 A HA -0.070 4.249 4.320 -0.002 0.000 0.214 285 A C 0.110 177.682 177.584 -0.020 0.000 1.206 285 A CA 1.317 53.346 52.037 -0.015 0.000 0.609 285 A CB -1.852 17.141 19.000 -0.012 0.000 0.851 285 A HN 0.286 nan 8.150 nan 0.000 0.445 286 P HA -0.160 nan 4.420 nan 0.000 0.216 286 P C -1.356 175.918 177.300 -0.042 0.000 1.157 286 P CA 2.545 65.623 63.100 -0.036 0.000 0.880 286 P CB -0.834 30.847 31.700 -0.031 0.000 0.791 287 P HA -0.092 nan 4.420 nan 0.000 0.216 287 P C 1.704 178.979 177.300 -0.043 0.000 1.153 287 P CA 1.293 64.368 63.100 -0.041 0.000 0.844 287 P CB -0.436 31.242 31.700 -0.036 0.000 0.787 288 L N -0.336 120.868 121.223 -0.031 0.000 1.932 288 L HA -0.174 4.165 4.340 -0.002 0.000 0.217 288 L C 2.686 179.523 176.870 -0.055 0.000 1.077 288 L CA 1.497 56.325 54.840 -0.021 0.000 0.765 288 L CB -1.781 40.289 42.059 0.018 0.000 0.888 288 L HN -0.198 nan 8.230 nan 0.000 0.433 289 V N 0.449 120.322 119.914 -0.068 0.000 2.295 289 V HA -0.441 3.677 4.120 -0.002 0.000 0.262 289 V C 2.603 178.605 176.094 -0.153 0.000 1.098 289 V CA 2.788 65.001 62.300 -0.145 0.000 1.095 289 V CB -1.116 30.642 31.823 -0.109 0.000 0.704 289 V HN 0.781 nan 8.190 nan 0.000 0.454 290 T N -2.387 112.105 114.554 -0.104 0.000 3.055 290 T HA 0.023 4.372 4.350 -0.002 0.000 0.265 290 T C 1.670 176.316 174.700 -0.090 0.000 1.111 290 T CA 1.102 63.145 62.100 -0.094 0.000 1.118 290 T CB -0.285 68.539 68.868 -0.073 0.000 0.909 290 T HN 0.438 nan 8.240 nan 0.000 0.501 291 L N -0.010 121.163 121.223 -0.084 0.000 2.083 291 L HA 0.008 4.347 4.340 -0.002 0.000 0.209 291 L C 1.911 178.733 176.870 -0.079 0.000 1.083 291 L CA 0.827 55.627 54.840 -0.067 0.000 0.752 291 L CB -0.715 41.317 42.059 -0.045 0.000 0.899 291 L HN 0.233 nan 8.230 nan 0.000 0.433 292 L N -0.685 120.463 121.223 -0.125 0.000 2.675 292 L HA -0.061 4.278 4.340 -0.002 0.000 0.238 292 L C 1.815 178.609 176.870 -0.126 0.000 1.155 292 L CA 0.966 55.719 54.840 -0.145 0.000 0.881 292 L CB -0.535 41.366 42.059 -0.264 0.000 1.008 292 L HN 0.105 nan 8.230 nan 0.000 0.443 293 S N -1.836 113.802 115.700 -0.103 0.000 2.526 293 S HA 0.280 4.748 4.470 -0.002 0.000 0.220 293 S C 1.316 175.876 174.600 -0.067 0.000 1.017 293 S CA 0.161 58.310 58.200 -0.085 0.000 0.930 293 S CB 0.333 63.484 63.200 -0.082 0.000 0.856 293 S HN 0.450 nan 8.310 nan 0.000 0.497 294 G N 1.596 110.361 108.800 -0.059 0.000 2.468 294 G HA2 0.271 4.230 3.960 -0.002 0.000 0.264 294 G HA3 0.271 4.230 3.960 -0.002 0.000 0.264 294 G C -0.140 174.740 174.900 -0.032 0.000 1.460 294 G CA -0.364 44.710 45.100 -0.044 0.000 1.060 294 G HN 0.125 nan 8.290 nan 0.000 0.543 295 E N 0.533 120.725 120.200 -0.013 0.000 2.383 295 E HA 0.122 4.471 4.350 -0.002 0.000 0.264 295 E C -1.218 175.393 176.600 0.018 0.000 1.050 295 E CA -1.705 54.695 56.400 0.000 0.000 0.896 295 E CB 1.309 31.019 29.700 0.017 0.000 0.982 295 E HN -0.014 nan 8.360 nan 0.000 0.424 296 P HA -0.202 nan 4.420 nan 0.000 0.216 296 P C 0.703 178.099 177.300 0.161 0.000 1.157 296 P CA 1.541 64.662 63.100 0.036 0.000 0.880 296 P CB 0.389 32.098 31.700 0.016 0.000 0.791 297 E N -1.010 119.288 120.200 0.163 0.000 2.106 297 E HA -0.104 4.245 4.350 -0.002 0.000 0.192 297 E C 2.049 178.778 176.600 0.215 0.000 0.984 297 E CA 0.688 57.206 56.400 0.196 0.000 0.806 297 E CB -1.295 28.458 29.700 0.088 0.000 0.750 297 E HN 0.052 nan 8.360 nan 0.000 0.458 298 V N 0.491 120.485 119.914 0.133 0.000 2.488 298 V HA -0.222 3.897 4.120 -0.002 0.000 0.246 298 V C 1.778 177.931 176.094 0.097 0.000 1.046 298 V CA 1.468 63.828 62.300 0.101 0.000 1.053 298 V CB -0.201 31.657 31.823 0.060 0.000 0.679 298 V HN 0.265 nan 8.190 nan 0.000 0.458 299 Q N -0.822 119.032 119.800 0.089 0.000 2.197 299 Q HA -0.315 4.024 4.340 -0.002 0.000 0.211 299 Q C 2.069 178.151 176.000 0.137 0.000 0.993 299 Q CA 2.671 58.518 55.803 0.074 0.000 0.883 299 Q CB -0.515 28.248 28.738 0.042 0.000 0.916 299 Q HN 0.862 nan 8.270 nan 0.000 0.418 300 Y N 1.020 121.374 120.300 0.090 0.000 2.109 300 Y HA -0.213 4.336 4.550 -0.002 0.000 0.285 300 Y C 2.209 178.157 175.900 0.079 0.000 1.131 300 Y CA 1.286 59.463 58.100 0.128 0.000 1.121 300 Y CB -0.458 38.152 38.460 0.249 0.000 0.987 300 Y HN -0.176 nan 8.280 nan 0.000 0.495 301 V N 0.990 120.898 119.914 -0.009 0.000 2.324 301 V HA -0.391 3.727 4.120 -0.002 0.000 0.250 301 V C 2.697 178.742 176.094 -0.082 0.000 1.060 301 V CA 2.039 64.266 62.300 -0.122 0.000 1.042 301 V CB -1.704 30.116 31.823 -0.006 0.000 0.650 301 V HN 0.619 nan 8.190 nan 0.000 0.450 302 A N -0.420 122.392 122.820 -0.012 0.000 1.873 302 A HA -0.126 4.193 4.320 -0.002 0.000 0.215 302 A C 2.200 179.803 177.584 0.032 0.000 1.186 302 A CA 1.694 53.736 52.037 0.010 0.000 0.616 302 A CB -0.516 18.494 19.000 0.017 0.000 0.823 302 A HN 0.496 nan 8.150 nan 0.000 0.442 303 L N -1.006 120.242 121.223 0.043 0.000 2.079 303 L HA -0.169 4.170 4.340 -0.002 0.000 0.210 303 L C 2.599 179.482 176.870 0.020 0.000 1.081 303 L CA 1.010 55.903 54.840 0.088 0.000 0.752 303 L CB -0.514 41.610 42.059 0.109 0.000 0.896 303 L HN 0.273 nan 8.230 nan 0.000 0.433 304 R N -0.075 120.365 120.500 -0.100 0.000 2.285 304 R HA -0.051 4.288 4.340 -0.002 0.000 0.213 304 R C 1.479 177.835 176.300 0.094 0.000 1.068 304 R CA 0.614 56.668 56.100 -0.076 0.000 1.004 304 R CB -0.518 29.585 30.300 -0.327 0.000 0.873 304 R HN 0.437 nan 8.270 nan 0.000 0.467 305 N N 0.070 118.790 118.700 0.033 0.000 2.482 305 N HA 0.139 4.877 4.740 -0.002 0.000 0.179 305 N C 1.811 177.336 175.510 0.024 0.000 1.039 305 N CA 0.246 53.316 53.050 0.035 0.000 0.884 305 N CB 0.149 38.643 38.487 0.012 0.000 1.113 305 N HN 0.063 nan 8.380 nan 0.000 0.440 306 I N 1.392 121.989 120.570 0.044 0.000 2.151 306 I HA -0.337 3.831 4.170 -0.002 0.000 0.243 306 I C 2.042 178.148 176.117 -0.018 0.000 1.080 306 I CA 1.100 62.423 61.300 0.039 0.000 1.339 306 I CB -0.364 37.716 38.000 0.134 0.000 1.039 306 I HN 0.188 nan 8.210 nan 0.000 0.409 307 N N 1.126 119.826 118.700 0.000 0.000 2.058 307 N HA -0.253 4.486 4.740 -0.002 0.000 0.200 307 N C 1.725 177.197 175.510 -0.064 0.000 1.033 307 N CA 2.047 55.091 53.050 -0.010 0.000 0.880 307 N CB -0.263 38.286 38.487 0.103 0.000 1.069 307 N HN 0.196 nan 8.380 nan 0.000 0.461 308 L N 0.210 121.377 121.223 -0.094 0.000 1.910 308 L HA -0.189 4.150 4.340 -0.002 0.000 0.221 308 L C 2.241 179.062 176.870 -0.083 0.000 1.084 308 L CA 1.477 56.234 54.840 -0.138 0.000 0.779 308 L CB -0.885 41.084 42.059 -0.150 0.000 0.888 308 L HN 0.335 nan 8.230 nan 0.000 0.432 309 I N -0.428 120.105 120.570 -0.060 0.000 2.850 309 I HA -0.482 3.687 4.170 -0.002 0.000 0.221 309 I C 2.347 178.432 176.117 -0.053 0.000 0.864 309 I CA 2.031 63.300 61.300 -0.051 0.000 1.196 309 I CB -0.671 37.308 38.000 -0.035 0.000 0.926 309 I HN 0.157 nan 8.210 nan 0.000 0.373 310 V N -0.114 119.763 119.914 -0.061 0.000 3.141 310 V HA -0.218 3.901 4.120 -0.002 0.000 0.265 310 V C 2.199 178.259 176.094 -0.057 0.000 1.126 310 V CA 1.648 63.907 62.300 -0.068 0.000 1.141 310 V CB -0.276 31.482 31.823 -0.107 0.000 0.743 310 V HN 0.467 nan 8.190 nan 0.000 0.492 311 Q N -0.692 119.075 119.800 -0.057 0.000 2.089 311 Q HA -0.139 4.200 4.340 -0.002 0.000 0.195 311 Q C 2.172 178.152 176.000 -0.034 0.000 0.963 311 Q CA 1.130 56.906 55.803 -0.046 0.000 0.834 311 Q CB -0.042 28.663 28.738 -0.055 0.000 0.906 311 Q HN 0.397 nan 8.270 nan 0.000 0.452 312 K N 0.869 121.246 120.400 -0.038 0.000 1.965 312 K HA -0.037 4.282 4.320 -0.002 0.000 0.214 312 K C 0.458 177.048 176.600 -0.018 0.000 1.042 312 K CA 1.161 57.432 56.287 -0.027 0.000 0.950 312 K CB 0.278 32.758 32.500 -0.033 0.000 0.733 312 K HN -0.157 nan 8.250 nan 0.000 0.441 313 R N 1.382 121.865 120.500 -0.029 0.000 3.070 313 R HA 0.198 4.536 4.340 -0.002 0.000 0.252 313 R C -2.121 174.163 176.300 -0.027 0.000 1.370 313 R CA -1.861 54.225 56.100 -0.024 0.000 1.482 313 R CB 0.597 30.867 30.300 -0.049 0.000 1.220 313 R HN 0.368 nan 8.270 nan 0.000 0.622 314 P HA -0.080 nan 4.420 nan 0.000 0.239 314 P C 0.129 177.422 177.300 -0.013 0.000 1.184 314 P CA 0.704 63.791 63.100 -0.021 0.000 0.760 314 P CB 0.640 32.331 31.700 -0.015 0.000 0.884 315 E N 0.831 121.027 120.200 -0.006 0.000 2.001 315 E HA -0.123 4.226 4.350 -0.002 0.000 0.193 315 E C 2.229 178.822 176.600 -0.011 0.000 0.994 315 E CA 0.894 57.294 56.400 0.000 0.000 0.815 315 E CB -1.083 28.625 29.700 0.013 0.000 0.770 315 E HN 0.117 nan 8.360 nan 0.000 0.453 316 I N 0.475 121.029 120.570 -0.027 0.000 2.267 316 I HA -0.315 3.854 4.170 -0.002 0.000 0.239 316 I C 1.277 177.389 176.117 -0.008 0.000 0.984 316 I CA 1.270 62.551 61.300 -0.031 0.000 1.272 316 I CB -0.514 37.459 38.000 -0.046 0.000 0.976 316 I HN 0.194 nan 8.210 nan 0.000 0.407 317 L N 0.542 121.766 121.223 0.001 0.000 2.965 317 L HA 0.111 4.450 4.340 -0.002 0.000 0.254 317 L C 1.775 178.656 176.870 0.019 0.000 1.220 317 L CA 0.199 55.056 54.840 0.029 0.000 1.023 317 L CB -0.476 41.623 42.059 0.066 0.000 1.355 317 L HN 0.230 nan 8.230 nan 0.000 0.545 318 K N 1.328 121.731 120.400 0.007 0.000 2.059 318 K HA -0.212 4.106 4.320 -0.002 0.000 0.212 318 K C 1.681 178.295 176.600 0.022 0.000 1.050 318 K CA 1.903 58.196 56.287 0.009 0.000 0.927 318 K CB 0.024 32.531 32.500 0.010 0.000 0.714 318 K HN 0.348 nan 8.250 nan 0.000 0.447 319 Q N -0.499 119.315 119.800 0.024 0.000 2.424 319 Q HA 0.016 4.354 4.340 -0.002 0.000 0.204 319 Q C 0.191 176.208 176.000 0.029 0.000 0.933 319 Q CA 0.460 56.280 55.803 0.027 0.000 0.929 319 Q CB 0.491 29.241 28.738 0.020 0.000 1.037 319 Q HN 0.355 nan 8.270 nan 0.000 0.511 320 E N 0.594 120.819 120.200 0.041 0.000 2.511 320 E HA 0.083 4.431 4.350 -0.002 0.000 0.214 320 E C 0.815 177.455 176.600 0.068 0.000 1.062 320 E CA -0.169 56.251 56.400 0.033 0.000 1.213 320 E CB 0.192 29.917 29.700 0.042 0.000 1.214 320 E HN 0.320 nan 8.360 nan 0.000 0.441 321 I N 0.790 121.389 120.570 0.049 0.000 2.657 321 I HA -0.276 3.893 4.170 -0.002 0.000 0.261 321 I C 1.889 177.788 176.117 -0.363 0.000 1.212 321 I CA 1.162 62.500 61.300 0.063 0.000 1.453 321 I CB 0.219 38.305 38.000 0.143 0.000 1.092 321 I HN 0.003 nan 8.210 nan 0.000 0.452 322 K N -0.289 119.764 120.400 -0.578 0.000 2.148 322 K HA -0.099 4.220 4.320 -0.002 0.000 0.204 322 K C 1.880 177.859 176.600 -1.034 0.000 1.050 322 K CA 1.479 56.999 56.287 -1.278 0.000 0.942 322 K CB -0.053 32.186 32.500 -0.434 0.000 0.724 322 K HN 0.311 nan 8.250 nan 0.000 0.446 323 V N 0.284 119.856 119.914 -0.570 0.000 2.515 323 V HA -0.167 3.952 4.120 -0.002 0.000 0.250 323 V C 1.523 177.300 176.094 -0.528 0.000 1.058 323 V CA 1.397 63.372 62.300 -0.542 0.000 1.064 323 V CB -0.758 30.668 31.823 -0.662 0.000 0.675 323 V HN 0.127 nan 8.190 nan 0.000 0.461 324 F N -0.268 119.550 119.950 -0.220 0.000 2.695 324 F HA 0.322 4.847 4.527 -0.002 0.000 0.301 324 F C 0.837 176.776 175.800 0.231 0.000 1.182 324 F CA -0.367 57.631 58.000 -0.003 0.000 1.412 324 F CB -1.034 37.983 39.000 0.028 0.000 1.056 324 F HN 0.024 nan 8.300 nan 0.000 0.522 325 F N -0.007 120.052 119.950 0.181 0.000 2.384 325 F HA 0.317 4.843 4.527 -0.002 0.000 0.338 325 F C 0.569 176.462 175.800 0.156 0.000 1.103 325 F CA -1.340 56.790 58.000 0.216 0.000 1.157 325 F CB 0.871 39.974 39.000 0.172 0.000 1.167 325 F HN -0.450 nan 8.300 nan 0.000 0.529 326 V N 3.886 124.030 119.914 0.383 0.000 2.508 326 V HA 0.035 4.153 4.120 -0.002 0.000 0.281 326 V C -0.063 176.057 176.094 0.043 0.000 1.041 326 V CA -0.547 61.774 62.300 0.034 0.000 1.016 326 V CB 0.689 32.257 31.823 -0.425 0.000 0.984 326 V HN 0.615 nan 8.190 nan 0.000 0.478 327 K N 4.919 125.293 120.400 -0.043 0.000 2.253 327 K HA 0.239 4.558 4.320 -0.002 0.000 0.277 327 K C 0.902 177.395 176.600 -0.178 0.000 1.053 327 K CA -0.454 55.796 56.287 -0.061 0.000 0.892 327 K CB 0.736 33.165 32.500 -0.119 0.000 1.102 327 K HN 0.749 nan 8.250 nan 0.000 0.469 328 Y N 2.790 123.057 120.300 -0.054 0.000 2.172 328 Y HA -0.380 4.168 4.550 -0.002 0.000 0.280 328 Y C 1.324 177.160 175.900 -0.107 0.000 1.209 328 Y CA 1.913 59.974 58.100 -0.066 0.000 1.171 328 Y CB -0.523 37.933 38.460 -0.007 0.000 0.965 328 Y HN 0.627 nan 8.280 nan 0.000 0.520 329 N N 0.263 118.341 118.700 -1.036 0.000 2.314 329 N HA -0.026 4.713 4.740 -0.002 0.000 0.200 329 N C -0.934 174.321 175.510 -0.425 0.000 1.135 329 N CA 0.297 52.896 53.050 -0.752 0.000 0.835 329 N CB -0.530 37.351 38.487 -1.011 0.000 0.989 329 N HN 0.402 nan 8.380 nan 0.000 0.478 330 D N 1.794 121.962 120.400 -0.386 0.000 2.329 330 D HA 0.303 4.941 4.640 -0.002 0.000 0.246 330 D C -2.260 173.813 176.300 -0.378 0.000 1.111 330 D CA -1.318 52.474 54.000 -0.346 0.000 0.941 330 D CB 0.636 41.241 40.800 -0.326 0.000 1.169 330 D HN 0.117 nan 8.370 nan 0.000 0.441 331 P HA 0.039 nan 4.420 nan 0.000 0.266 331 P C 1.286 178.228 177.300 -0.596 0.000 1.195 331 P CA -0.121 62.639 63.100 -0.568 0.000 0.768 331 P CB 0.702 31.767 31.700 -1.058 0.000 0.838 332 I N 3.325 123.671 120.570 -0.373 0.000 2.143 332 I HA -0.370 3.799 4.170 -0.002 0.000 0.245 332 I C 1.774 177.757 176.117 -0.223 0.000 1.068 332 I CA 1.914 63.055 61.300 -0.264 0.000 1.326 332 I CB -0.194 37.749 38.000 -0.095 0.000 1.028 332 I HN 0.438 nan 8.210 nan 0.000 0.412 333 Y N -0.960 119.267 120.300 -0.123 0.000 2.439 333 Y HA 0.029 4.578 4.550 -0.002 0.000 0.292 333 Y C 2.051 177.970 175.900 0.031 0.000 1.130 333 Y CA 0.822 58.873 58.100 -0.083 0.000 1.254 333 Y CB -1.163 37.146 38.460 -0.251 0.000 1.000 333 Y HN -0.054 nan 8.280 nan 0.000 0.554 334 V N 0.704 120.355 119.914 -0.438 0.000 3.052 334 V HA -0.090 4.029 4.120 -0.002 0.000 0.254 334 V C 2.114 178.115 176.094 -0.155 0.000 1.100 334 V CA 1.022 63.218 62.300 -0.174 0.000 1.112 334 V CB -0.229 31.423 31.823 -0.286 0.000 0.738 334 V HN 0.339 nan 8.190 nan 0.000 0.469 335 K N -0.028 120.196 120.400 -0.294 0.000 2.148 335 K HA -0.055 4.264 4.320 -0.002 0.000 0.204 335 K C 1.994 178.538 176.600 -0.093 0.000 1.050 335 K CA 1.189 57.262 56.287 -0.357 0.000 0.942 335 K CB -0.104 31.899 32.500 -0.828 0.000 0.724 335 K HN 0.370 nan 8.250 nan 0.000 0.446 336 L N 0.811 122.034 121.223 -0.001 0.000 2.049 336 L HA -0.110 4.229 4.340 -0.002 0.000 0.203 336 L C 2.247 179.205 176.870 0.147 0.000 1.074 336 L CA 0.820 55.735 54.840 0.125 0.000 0.749 336 L CB -0.306 41.832 42.059 0.131 0.000 0.907 336 L HN 0.076 nan 8.230 nan 0.000 0.439 337 E N 0.623 120.914 120.200 0.152 0.000 2.209 337 E HA -0.210 4.138 4.350 -0.002 0.000 0.196 337 E C 2.009 178.698 176.600 0.148 0.000 0.993 337 E CA 1.019 57.507 56.400 0.145 0.000 0.819 337 E CB -0.115 29.674 29.700 0.147 0.000 0.745 337 E HN 0.447 nan 8.360 nan 0.000 0.477 338 K N 0.400 120.900 120.400 0.168 0.000 1.973 338 K HA -0.120 4.198 4.320 -0.002 0.000 0.210 338 K C 2.286 179.022 176.600 0.227 0.000 1.045 338 K CA 0.711 57.139 56.287 0.237 0.000 0.937 338 K CB -0.408 32.220 32.500 0.214 0.000 0.721 338 K HN -0.006 nan 8.250 nan 0.000 0.438 339 L N 2.279 123.648 121.223 0.244 0.000 2.034 339 L HA -0.303 4.036 4.340 -0.002 0.000 0.217 339 L C 2.136 179.110 176.870 0.174 0.000 1.077 339 L CA 1.980 56.981 54.840 0.269 0.000 0.769 339 L CB -0.572 41.678 42.059 0.318 0.000 0.890 339 L HN 0.289 nan 8.230 nan 0.000 0.435 340 D N -0.345 120.138 120.400 0.138 0.000 2.106 340 D HA -0.235 4.404 4.640 -0.002 0.000 0.191 340 D C 2.113 178.433 176.300 0.034 0.000 0.997 340 D CA 2.102 56.155 54.000 0.087 0.000 0.834 340 D CB -0.143 40.711 40.800 0.090 0.000 0.956 340 D HN 0.512 nan 8.370 nan 0.000 0.448 341 I N 0.123 120.686 120.570 -0.011 0.000 2.830 341 I HA -0.159 4.010 4.170 -0.002 0.000 0.263 341 I C 2.553 178.572 176.117 -0.163 0.000 1.230 341 I CA 0.229 61.431 61.300 -0.165 0.000 1.480 341 I CB -0.139 37.621 38.000 -0.399 0.000 1.095 341 I HN 0.034 nan 8.210 nan 0.000 0.455 342 M N 0.074 119.677 119.600 0.005 0.000 2.229 342 M HA -0.154 4.325 4.480 -0.002 0.000 0.264 342 M C 2.263 178.603 176.300 0.068 0.000 1.063 342 M CA 1.863 57.224 55.300 0.100 0.000 1.114 342 M CB -0.242 32.504 32.600 0.243 0.000 1.387 342 M HN 0.220 nan 8.290 nan 0.000 0.420 343 I N -0.403 120.197 120.570 0.049 0.000 2.233 343 I HA -0.243 3.926 4.170 -0.002 0.000 0.243 343 I C 2.463 178.586 176.117 0.010 0.000 1.093 343 I CA 1.228 62.550 61.300 0.037 0.000 1.380 343 I CB -0.354 37.669 38.000 0.038 0.000 1.067 343 I HN 0.199 nan 8.210 nan 0.000 0.413 344 R N 0.674 121.161 120.500 -0.021 0.000 2.092 344 R HA -0.050 4.289 4.340 -0.002 0.000 0.231 344 R C 2.041 178.312 176.300 -0.048 0.000 1.119 344 R CA 1.176 57.253 56.100 -0.039 0.000 0.970 344 R CB -0.322 29.939 30.300 -0.065 0.000 0.864 344 R HN 0.333 nan 8.270 nan 0.000 0.440 345 L N 0.755 121.933 121.223 -0.075 0.000 2.599 345 L HA 0.170 4.509 4.340 -0.002 0.000 0.230 345 L C 0.725 177.598 176.870 0.004 0.000 1.141 345 L CA -0.495 54.313 54.840 -0.053 0.000 0.877 345 L CB -0.046 41.953 42.059 -0.100 0.000 1.009 345 L HN 0.046 nan 8.230 nan 0.000 0.447 346 A N 1.151 123.983 122.820 0.020 0.000 2.535 346 A HA 0.242 4.561 4.320 -0.002 0.000 0.290 346 A C 0.998 178.605 177.584 0.037 0.000 1.270 346 A CA 0.153 52.217 52.037 0.044 0.000 0.937 346 A CB -0.419 18.608 19.000 0.046 0.000 1.096 346 A HN 0.420 nan 8.150 nan 0.000 0.534 347 S N 2.412 118.138 115.700 0.042 0.000 2.625 347 S HA 0.205 4.674 4.470 -0.002 0.000 0.262 347 S C 0.860 175.483 174.600 0.038 0.000 1.223 347 S CA -0.207 58.015 58.200 0.036 0.000 0.993 347 S CB 0.356 63.578 63.200 0.037 0.000 1.051 347 S HN 0.642 nan 8.310 nan 0.000 0.562 348 Q N -0.413 119.407 119.800 0.034 0.000 2.424 348 Q HA 0.270 4.609 4.340 -0.002 0.000 0.204 348 Q C 1.796 177.814 176.000 0.029 0.000 0.933 348 Q CA 0.894 56.715 55.803 0.031 0.000 0.929 348 Q CB -0.661 28.094 28.738 0.028 0.000 1.037 348 Q HN 0.728 nan 8.270 nan 0.000 0.511 349 A N 2.961 125.801 122.820 0.033 0.000 1.972 349 A HA -0.116 4.203 4.320 -0.002 0.000 0.219 349 A C 1.802 179.408 177.584 0.038 0.000 1.467 349 A CA 0.920 52.977 52.037 0.033 0.000 0.631 349 A CB -0.821 18.200 19.000 0.035 0.000 1.143 349 A HN 0.445 nan 8.150 nan 0.000 0.502 350 N N 1.581 120.313 118.700 0.053 0.000 2.242 350 N HA -0.247 4.492 4.740 -0.002 0.000 0.193 350 N C 1.110 176.650 175.510 0.050 0.000 1.000 350 N CA 2.217 55.309 53.050 0.070 0.000 0.885 350 N CB -1.275 37.278 38.487 0.109 0.000 0.988 350 N HN 0.558 nan 8.380 nan 0.000 0.444 351 I N 0.195 120.788 120.570 0.038 0.000 2.462 351 I HA -0.342 3.827 4.170 -0.002 0.000 0.259 351 I C 2.447 178.564 176.117 -0.000 0.000 1.156 351 I CA 1.261 62.573 61.300 0.020 0.000 1.417 351 I CB -0.741 37.270 38.000 0.018 0.000 1.088 351 I HN 0.346 nan 8.210 nan 0.000 0.442 352 A N 1.479 124.302 122.820 0.005 0.000 1.859 352 A HA -0.322 3.996 4.320 -0.002 0.000 0.218 352 A C 2.426 179.992 177.584 -0.030 0.000 1.209 352 A CA 2.542 54.574 52.037 -0.007 0.000 0.639 352 A CB -0.861 18.142 19.000 0.005 0.000 0.835 352 A HN 0.680 nan 8.150 nan 0.000 0.450 353 Q N -1.096 118.688 119.800 -0.026 0.000 2.089 353 Q HA -0.024 4.315 4.340 -0.002 0.000 0.195 353 Q C 1.928 177.835 176.000 -0.154 0.000 0.963 353 Q CA 1.525 57.281 55.803 -0.078 0.000 0.834 353 Q CB -0.853 27.860 28.738 -0.042 0.000 0.906 353 Q HN 0.264 nan 8.270 nan 0.000 0.452 354 V N 1.600 121.456 119.914 -0.096 0.000 2.357 354 V HA -0.295 3.823 4.120 -0.002 0.000 0.257 354 V C 2.359 178.362 176.094 -0.152 0.000 1.082 354 V CA 2.014 64.254 62.300 -0.101 0.000 1.078 354 V CB -0.592 31.239 31.823 0.013 0.000 0.663 354 V HN 0.327 nan 8.190 nan 0.000 0.455 355 L N -0.165 120.987 121.223 -0.119 0.000 2.131 355 L HA 0.129 4.468 4.340 -0.002 0.000 0.206 355 L C 2.338 179.107 176.870 -0.168 0.000 1.087 355 L CA 1.958 56.723 54.840 -0.126 0.000 0.767 355 L CB -0.643 41.371 42.059 -0.075 0.000 0.917 355 L HN 0.217 nan 8.230 nan 0.000 0.441 356 A N -1.369 121.354 122.820 -0.163 0.000 2.119 356 A HA -0.137 4.182 4.320 -0.002 0.000 0.217 356 A C 2.087 179.520 177.584 -0.251 0.000 1.153 356 A CA 1.364 53.300 52.037 -0.167 0.000 0.692 356 A CB -0.342 18.585 19.000 -0.122 0.000 0.799 356 A HN 0.473 nan 8.150 nan 0.000 0.458 357 E N 0.138 120.122 120.200 -0.361 0.000 2.024 357 E HA 0.038 4.387 4.350 -0.002 0.000 0.190 357 E C 1.779 177.840 176.600 -0.900 0.000 0.974 357 E CA 0.702 56.756 56.400 -0.577 0.000 0.810 357 E CB -0.304 29.034 29.700 -0.604 0.000 0.775 357 E HN 0.486 nan 8.360 nan 0.000 0.453 358 L N 1.188 121.980 121.223 -0.718 0.000 2.351 358 L HA -0.204 4.135 4.340 -0.002 0.000 0.220 358 L C 2.463 179.099 176.870 -0.389 0.000 1.127 358 L CA 1.088 55.565 54.840 -0.604 0.000 0.786 358 L CB -0.594 41.299 42.059 -0.276 0.000 0.914 358 L HN 0.155 nan 8.230 nan 0.000 0.443 359 K N 0.886 121.102 120.400 -0.307 0.000 2.137 359 K HA -0.156 4.163 4.320 -0.002 0.000 0.202 359 K C 1.732 178.244 176.600 -0.147 0.000 1.052 359 K CA 1.043 57.223 56.287 -0.179 0.000 0.961 359 K CB 0.114 32.533 32.500 -0.134 0.000 0.741 359 K HN 0.311 nan 8.250 nan 0.000 0.452 360 E N -0.266 119.818 120.200 -0.194 0.000 2.035 360 E HA -0.237 4.112 4.350 -0.002 0.000 0.204 360 E C 1.978 178.635 176.600 0.094 0.000 1.025 360 E CA 1.927 58.295 56.400 -0.053 0.000 0.835 360 E CB -0.218 29.459 29.700 -0.038 0.000 0.764 360 E HN 0.274 nan 8.360 nan 0.000 0.457 361 Y N -0.192 120.094 120.300 -0.022 0.000 2.128 361 Y HA -0.124 4.425 4.550 -0.002 0.000 0.284 361 Y C 2.265 178.104 175.900 -0.102 0.000 1.154 361 Y CA 0.751 58.822 58.100 -0.048 0.000 1.149 361 Y CB -1.401 36.901 38.460 -0.263 0.000 0.976 361 Y HN 0.130 nan 8.280 nan 0.000 0.505 362 A N -0.180 122.649 122.820 0.015 0.000 2.259 362 A HA -0.087 4.232 4.320 -0.002 0.000 0.212 362 A C 1.801 179.407 177.584 0.037 0.000 1.178 362 A CA 1.815 53.845 52.037 -0.011 0.000 0.734 362 A CB -1.133 17.836 19.000 -0.052 0.000 0.774 362 A HN 0.547 nan 8.150 nan 0.000 0.481 363 T N -4.194 110.394 114.554 0.057 0.000 3.040 363 T HA 0.221 4.570 4.350 -0.002 0.000 0.266 363 T C 0.369 175.125 174.700 0.094 0.000 1.005 363 T CA -0.381 61.751 62.100 0.054 0.000 0.906 363 T CB 0.319 69.197 68.868 0.017 0.000 1.082 363 T HN 0.180 nan 8.240 nan 0.000 0.531 364 E N 1.728 122.011 120.200 0.137 0.000 2.605 364 E HA 0.241 4.590 4.350 -0.002 0.000 0.255 364 E C 1.608 178.305 176.600 0.161 0.000 1.369 364 E CA -0.105 56.388 56.400 0.155 0.000 1.017 364 E CB 0.927 30.753 29.700 0.211 0.000 1.086 364 E HN 0.192 nan 8.360 nan 0.000 0.605 365 V N -2.309 117.688 119.914 0.137 0.000 3.650 365 V HA 0.117 4.235 4.120 -0.002 0.000 0.271 365 V C 0.612 176.758 176.094 0.087 0.000 1.281 365 V CA -0.022 62.348 62.300 0.116 0.000 1.120 365 V CB 0.050 31.921 31.823 0.081 0.000 0.856 365 V HN 0.315 nan 8.190 nan 0.000 0.443 366 D N 1.130 121.597 120.400 0.113 0.000 2.352 366 D HA 0.201 4.839 4.640 -0.002 0.000 0.245 366 D C 1.170 177.505 176.300 0.059 0.000 1.224 366 D CA 0.249 54.300 54.000 0.085 0.000 0.879 366 D CB 1.847 42.719 40.800 0.120 0.000 1.057 366 D HN 0.064 nan 8.370 nan 0.000 0.491 367 V N 3.980 123.850 119.914 -0.074 0.000 2.343 367 V HA -0.206 3.913 4.120 -0.002 0.000 0.247 367 V C 1.813 177.856 176.094 -0.084 0.000 1.051 367 V CA 1.433 63.595 62.300 -0.229 0.000 1.036 367 V CB -0.315 31.224 31.823 -0.473 0.000 0.654 367 V HN 0.528 nan 8.190 nan 0.000 0.451 368 D N -0.306 120.088 120.400 -0.009 0.000 2.117 368 D HA -0.169 4.470 4.640 -0.002 0.000 0.197 368 D C 1.901 178.279 176.300 0.130 0.000 0.987 368 D CA 1.280 55.303 54.000 0.038 0.000 0.829 368 D CB -0.284 40.543 40.800 0.046 0.000 0.961 368 D HN 0.449 nan 8.370 nan 0.000 0.460 369 F N 1.460 121.402 119.950 -0.013 0.000 2.206 369 F HA -0.124 4.402 4.527 -0.002 0.000 0.298 369 F C 2.143 177.978 175.800 0.058 0.000 1.090 369 F CA 0.537 58.544 58.000 0.012 0.000 1.323 369 F CB -0.424 38.568 39.000 -0.014 0.000 1.028 369 F HN -0.239 nan 8.300 nan 0.000 0.492 370 V N 1.156 121.077 119.914 0.011 0.000 2.287 370 V HA -0.325 3.793 4.120 -0.002 0.000 0.248 370 V C 2.582 178.663 176.094 -0.021 0.000 1.053 370 V CA 2.282 64.567 62.300 -0.026 0.000 1.027 370 V CB -0.666 31.247 31.823 0.150 0.000 0.646 370 V HN 0.259 nan 8.190 nan 0.000 0.447 371 R N 0.035 120.549 120.500 0.024 0.000 2.091 371 R HA -0.146 4.192 4.340 -0.002 0.000 0.238 371 R C 2.273 178.571 176.300 -0.004 0.000 1.136 371 R CA 1.141 57.256 56.100 0.024 0.000 0.959 371 R CB -0.321 29.995 30.300 0.027 0.000 0.856 371 R HN 0.387 nan 8.270 nan 0.000 0.437 372 K N 0.222 120.619 120.400 -0.006 0.000 2.365 372 K HA 0.047 4.365 4.320 -0.002 0.000 0.199 372 K C 1.825 178.393 176.600 -0.054 0.000 1.045 372 K CA 0.909 57.201 56.287 0.009 0.000 0.962 372 K CB -0.112 32.449 32.500 0.102 0.000 0.759 372 K HN 0.154 nan 8.250 nan 0.000 0.469 373 A N 1.536 124.254 122.820 -0.171 0.000 1.832 373 A HA -0.127 4.192 4.320 -0.002 0.000 0.214 373 A C 2.366 179.900 177.584 -0.083 0.000 1.200 373 A CA 2.013 53.950 52.037 -0.168 0.000 0.610 373 A CB -1.076 17.774 19.000 -0.251 0.000 0.842 373 A HN 0.097 nan 8.150 nan 0.000 0.444 374 V N -0.928 118.946 119.914 -0.068 0.000 2.370 374 V HA -0.330 3.789 4.120 -0.002 0.000 0.252 374 V C 2.211 178.283 176.094 -0.036 0.000 1.068 374 V CA 2.535 64.805 62.300 -0.048 0.000 1.061 374 V CB -1.069 30.734 31.823 -0.034 0.000 0.656 374 V HN 0.543 nan 8.190 nan 0.000 0.455 375 R N 0.861 121.346 120.500 -0.025 0.000 2.092 375 R HA 0.051 4.390 4.340 -0.002 0.000 0.231 375 R C 2.624 178.920 176.300 -0.006 0.000 1.119 375 R CA 1.468 57.560 56.100 -0.014 0.000 0.970 375 R CB -0.776 29.522 30.300 -0.004 0.000 0.864 375 R HN 0.648 nan 8.270 nan 0.000 0.440 376 A N 1.207 124.026 122.820 -0.002 0.000 1.978 376 A HA -0.137 4.182 4.320 -0.002 0.000 0.220 376 A C 2.063 179.648 177.584 0.000 0.000 1.170 376 A CA 1.204 53.249 52.037 0.013 0.000 0.636 376 A CB -0.474 18.545 19.000 0.032 0.000 0.810 376 A HN 0.210 nan 8.150 nan 0.000 0.448 377 I N -0.539 120.018 120.570 -0.022 0.000 2.676 377 I HA -0.129 4.040 4.170 -0.002 0.000 0.259 377 I C 2.468 178.578 176.117 -0.011 0.000 1.194 377 I CA 0.706 61.989 61.300 -0.027 0.000 1.473 377 I CB -0.381 37.589 38.000 -0.051 0.000 1.096 377 I HN 0.404 nan 8.210 nan 0.000 0.443 378 G N 0.628 109.422 108.800 -0.009 0.000 2.424 378 G HA2 -0.149 3.809 3.960 -0.002 0.000 0.214 378 G HA3 -0.149 3.809 3.960 -0.002 0.000 0.214 378 G C 1.745 176.656 174.900 0.018 0.000 1.202 378 G CA 0.060 45.161 45.100 0.001 0.000 0.793 378 G HN 0.125 nan 8.290 nan 0.000 0.534 379 R N -0.183 120.325 120.500 0.014 0.000 2.134 379 R HA -0.173 4.166 4.340 -0.002 0.000 0.248 379 R C 2.635 178.956 176.300 0.036 0.000 1.143 379 R CA 1.483 57.596 56.100 0.022 0.000 0.957 379 R CB -1.246 29.069 30.300 0.025 0.000 0.867 379 R HN 0.404 nan 8.270 nan 0.000 0.441 380 C N -0.164 119.157 119.300 0.034 0.000 2.382 380 C HA -0.212 4.247 4.460 -0.002 0.000 0.281 380 C C 2.924 177.955 174.990 0.069 0.000 1.191 380 C CA 1.357 60.400 59.018 0.041 0.000 1.772 380 C CB -1.224 26.530 27.740 0.023 0.000 2.013 380 C HN 0.661 nan 8.230 nan 0.000 0.437 381 A N -0.442 122.428 122.820 0.083 0.000 2.024 381 A HA -0.081 4.238 4.320 -0.002 0.000 0.220 381 A C 1.702 179.444 177.584 0.264 0.000 1.164 381 A CA 1.564 53.695 52.037 0.158 0.000 0.643 381 A CB -0.636 18.459 19.000 0.158 0.000 0.806 381 A HN 0.738 nan 8.150 nan 0.000 0.451 382 I N -1.663 118.999 120.570 0.152 0.000 3.810 382 I HA 0.041 4.210 4.170 -0.002 0.000 0.322 382 I C 1.066 177.230 176.117 0.079 0.000 1.288 382 I CA 0.337 61.690 61.300 0.087 0.000 1.143 382 I CB 0.069 38.067 38.000 -0.003 0.000 1.012 382 I HN 0.146 nan 8.210 nan 0.000 0.423 383 K N 0.472 120.932 120.400 0.100 0.000 2.521 383 K HA 0.339 4.658 4.320 -0.002 0.000 0.213 383 K C -0.263 176.392 176.600 0.091 0.000 1.223 383 K CA 0.364 56.699 56.287 0.079 0.000 1.013 383 K CB 2.250 34.781 32.500 0.051 0.000 1.017 383 K HN -0.011 nan 8.250 nan 0.000 0.591 384 V N 1.728 121.712 119.914 0.116 0.000 2.559 384 V HA 0.153 4.272 4.120 -0.002 0.000 0.289 384 V C 0.729 176.886 176.094 0.106 0.000 1.036 384 V CA -0.549 61.808 62.300 0.094 0.000 0.887 384 V CB 1.867 33.726 31.823 0.061 0.000 1.022 384 V HN 0.144 nan 8.190 nan 0.000 0.442 385 E N 2.363 122.621 120.200 0.097 0.000 2.358 385 E HA -0.108 4.241 4.350 -0.002 0.000 0.195 385 E C 0.803 177.358 176.600 -0.075 0.000 1.010 385 E CA 0.496 56.872 56.400 -0.040 0.000 0.856 385 E CB 0.404 30.048 29.700 -0.093 0.000 0.795 385 E HN 0.801 nan 8.360 nan 0.000 0.504 386 Q N -0.179 119.612 119.800 -0.016 0.000 2.292 386 Q HA 0.024 4.362 4.340 -0.002 0.000 0.235 386 Q C 0.502 176.497 176.000 -0.008 0.000 0.910 386 Q CA 0.483 56.277 55.803 -0.015 0.000 0.952 386 Q CB 0.283 29.023 28.738 0.002 0.000 1.089 386 Q HN 0.250 nan 8.270 nan 0.000 0.431 387 S N -3.939 111.752 115.700 -0.014 0.000 1.962 387 S HA 0.095 4.564 4.470 -0.002 0.000 0.193 387 S C 1.753 176.356 174.600 0.004 0.000 0.756 387 S CA 0.064 58.264 58.200 0.001 0.000 1.439 387 S CB -0.943 62.266 63.200 0.013 0.000 0.887 387 S HN 0.231 nan 8.310 nan 0.000 0.347 388 A N 2.166 124.984 122.820 -0.004 0.000 1.954 388 A HA -0.249 4.069 4.320 -0.002 0.000 0.222 388 A C 2.004 179.604 177.584 0.026 0.000 1.199 388 A CA 2.527 54.571 52.037 0.012 0.000 0.657 388 A CB -1.232 17.719 19.000 -0.081 0.000 0.823 388 A HN 0.800 nan 8.150 nan 0.000 0.463 389 E N -0.555 119.691 120.200 0.077 0.000 2.085 389 E HA -0.212 4.137 4.350 -0.002 0.000 0.194 389 E C 2.260 178.905 176.600 0.075 0.000 0.994 389 E CA 1.568 58.070 56.400 0.171 0.000 0.801 389 E CB -0.092 29.682 29.700 0.124 0.000 0.743 389 E HN 0.671 nan 8.360 nan 0.000 0.453 390 R N -0.341 120.177 120.500 0.030 0.000 2.090 390 R HA -0.050 4.289 4.340 -0.002 0.000 0.228 390 R C 2.588 178.881 176.300 -0.012 0.000 1.110 390 R CA 0.995 57.101 56.100 0.009 0.000 0.973 390 R CB -0.563 29.737 30.300 -0.001 0.000 0.869 390 R HN 0.304 nan 8.270 nan 0.000 0.440 391 C N 0.401 119.690 119.300 -0.018 0.000 2.328 391 C HA -0.162 4.297 4.460 -0.002 0.000 0.276 391 C C 2.660 177.615 174.990 -0.059 0.000 1.173 391 C CA 0.932 59.929 59.018 -0.036 0.000 1.774 391 C CB -0.932 26.793 27.740 -0.024 0.000 2.009 391 C HN 0.299 nan 8.230 nan 0.000 0.436 392 V N 0.615 120.466 119.914 -0.104 0.000 2.546 392 V HA -0.234 3.884 4.120 -0.002 0.000 0.254 392 V C 2.545 178.604 176.094 -0.059 0.000 1.076 392 V CA 2.342 64.555 62.300 -0.146 0.000 1.087 392 V CB -0.877 30.721 31.823 -0.374 0.000 0.674 392 V HN 0.708 nan 8.190 nan 0.000 0.470 393 S N -0.741 114.946 115.700 -0.023 0.000 2.335 393 S HA -0.200 4.269 4.470 -0.002 0.000 0.217 393 S C 2.158 176.745 174.600 -0.022 0.000 1.032 393 S CA 2.026 60.224 58.200 -0.004 0.000 0.985 393 S CB -0.386 62.820 63.200 0.009 0.000 0.896 393 S HN 0.625 nan 8.310 nan 0.000 0.445 394 T N 3.417 117.952 114.554 -0.032 0.000 2.653 394 T HA -0.169 4.180 4.350 -0.002 0.000 0.267 394 T C 1.676 176.348 174.700 -0.048 0.000 1.037 394 T CA 1.935 64.009 62.100 -0.044 0.000 1.159 394 T CB -0.659 68.176 68.868 -0.055 0.000 0.859 394 T HN 0.345 nan 8.240 nan 0.000 0.449 395 L N 0.198 121.390 121.223 -0.052 0.000 2.083 395 L HA -0.055 4.283 4.340 -0.002 0.000 0.209 395 L C 2.587 179.429 176.870 -0.047 0.000 1.083 395 L CA 1.080 55.886 54.840 -0.056 0.000 0.752 395 L CB -0.683 41.334 42.059 -0.069 0.000 0.899 395 L HN 0.294 nan 8.230 nan 0.000 0.433 396 L N -0.422 120.780 121.223 -0.035 0.000 2.046 396 L HA -0.232 4.107 4.340 -0.002 0.000 0.208 396 L C 2.303 179.157 176.870 -0.026 0.000 1.077 396 L CA 1.276 56.102 54.840 -0.023 0.000 0.747 396 L CB -0.716 41.340 42.059 -0.005 0.000 0.896 396 L HN 0.308 nan 8.230 nan 0.000 0.432 397 D N 0.445 120.828 120.400 -0.028 0.000 2.127 397 D HA -0.220 4.418 4.640 -0.002 0.000 0.190 397 D C 2.297 178.574 176.300 -0.038 0.000 1.000 397 D CA 1.481 55.462 54.000 -0.031 0.000 0.839 397 D CB -0.368 40.411 40.800 -0.034 0.000 0.955 397 D HN 0.248 nan 8.370 nan 0.000 0.446 398 L N 0.384 121.579 121.223 -0.046 0.000 2.046 398 L HA -0.125 4.214 4.340 -0.002 0.000 0.208 398 L C 2.628 179.463 176.870 -0.059 0.000 1.077 398 L CA 0.700 55.507 54.840 -0.055 0.000 0.747 398 L CB -0.414 41.611 42.059 -0.058 0.000 0.896 398 L HN 0.058 nan 8.230 nan 0.000 0.432 399 I N -0.206 120.334 120.570 -0.050 0.000 2.286 399 I HA -0.271 3.898 4.170 -0.002 0.000 0.248 399 I C 2.473 178.566 176.117 -0.040 0.000 1.115 399 I CA 1.484 62.757 61.300 -0.046 0.000 1.392 399 I CB -0.341 37.637 38.000 -0.036 0.000 1.065 399 I HN 0.464 nan 8.210 nan 0.000 0.418 400 Q N -0.202 119.578 119.800 -0.034 0.000 2.389 400 Q HA -0.101 4.238 4.340 -0.002 0.000 0.204 400 Q C 2.050 178.028 176.000 -0.035 0.000 0.944 400 Q CA 1.596 57.382 55.803 -0.028 0.000 0.908 400 Q CB -0.020 28.706 28.738 -0.020 0.000 1.002 400 Q HN 0.595 nan 8.270 nan 0.000 0.493 401 T N -1.872 112.655 114.554 -0.046 0.000 3.072 401 T HA -0.024 4.324 4.350 -0.002 0.000 0.266 401 T C 0.854 175.513 174.700 -0.069 0.000 1.127 401 T CA 0.609 62.678 62.100 -0.053 0.000 1.107 401 T CB 0.067 68.900 68.868 -0.059 0.000 0.910 401 T HN 0.285 nan 8.240 nan 0.000 0.513 402 K N -1.008 119.348 120.400 -0.074 0.000 3.615 402 K HA -0.128 4.191 4.320 -0.002 0.000 0.269 402 K C -0.063 176.463 176.600 -0.124 0.000 1.107 402 K CA 0.803 57.043 56.287 -0.078 0.000 1.059 402 K CB -2.527 29.940 32.500 -0.056 0.000 1.317 402 K HN 0.411 nan 8.250 nan 0.000 0.494 403 V N 3.721 123.526 119.914 -0.183 0.000 2.486 403 V HA -0.143 3.976 4.120 -0.002 0.000 0.290 403 V C 1.772 177.645 176.094 -0.368 0.000 0.991 403 V CA 1.147 63.246 62.300 -0.333 0.000 1.142 403 V CB 0.567 32.108 31.823 -0.470 0.000 0.926 403 V HN 0.344 nan 8.190 nan 0.000 0.472 404 N N 5.929 124.463 118.700 -0.278 0.000 2.049 404 N HA -0.276 4.463 4.740 -0.002 0.000 0.198 404 N C 1.573 177.025 175.510 -0.096 0.000 1.030 404 N CA 2.897 55.865 53.050 -0.136 0.000 0.870 404 N CB -0.368 38.096 38.487 -0.038 0.000 1.045 404 N HN 0.818 nan 8.380 nan 0.000 0.434 405 Y N -1.906 118.390 120.300 -0.008 0.000 2.516 405 Y HA 0.271 4.820 4.550 -0.002 0.000 0.291 405 Y C 2.331 178.223 175.900 -0.014 0.000 1.131 405 Y CA 0.201 58.295 58.100 -0.009 0.000 1.281 405 Y CB -0.733 37.725 38.460 -0.004 0.000 1.013 405 Y HN -0.071 nan 8.280 nan 0.000 0.554 406 V N -0.209 119.599 119.914 -0.177 0.000 2.488 406 V HA -0.170 3.948 4.120 -0.002 0.000 0.246 406 V C 2.317 178.374 176.094 -0.061 0.000 1.046 406 V CA 1.321 63.574 62.300 -0.079 0.000 1.053 406 V CB -0.156 31.567 31.823 -0.166 0.000 0.679 406 V HN 0.394 nan 8.190 nan 0.000 0.458 407 V N -0.094 119.768 119.914 -0.087 0.000 2.295 407 V HA -0.292 3.827 4.120 -0.002 0.000 0.246 407 V C 2.434 178.509 176.094 -0.031 0.000 1.049 407 V CA 2.122 64.388 62.300 -0.057 0.000 1.024 407 V CB -0.634 31.154 31.823 -0.057 0.000 0.648 407 V HN 0.600 nan 8.190 nan 0.000 0.447 408 Q N -0.728 119.065 119.800 -0.011 0.000 2.049 408 Q HA -0.170 4.169 4.340 -0.002 0.000 0.198 408 Q C 2.312 178.311 176.000 -0.002 0.000 0.971 408 Q CA 1.164 56.967 55.803 -0.000 0.000 0.833 408 Q CB -0.269 28.479 28.738 0.017 0.000 0.896 408 Q HN 0.581 nan 8.270 nan 0.000 0.434 409 E N 1.110 121.318 120.200 0.014 0.000 2.085 409 E HA -0.166 4.183 4.350 -0.002 0.000 0.194 409 E C 1.996 178.582 176.600 -0.023 0.000 0.994 409 E CA 1.165 57.566 56.400 0.003 0.000 0.801 409 E CB -0.269 29.445 29.700 0.023 0.000 0.743 409 E HN 0.347 nan 8.360 nan 0.000 0.453 410 A N 1.481 124.283 122.820 -0.030 0.000 1.940 410 A HA -0.174 4.145 4.320 -0.002 0.000 0.219 410 A C 2.286 179.828 177.584 -0.070 0.000 1.176 410 A CA 1.395 53.402 52.037 -0.050 0.000 0.631 410 A CB -0.666 18.302 19.000 -0.052 0.000 0.814 410 A HN 0.325 nan 8.150 nan 0.000 0.446 411 I N -0.777 119.756 120.570 -0.063 0.000 2.315 411 I HA -0.152 4.016 4.170 -0.002 0.000 0.248 411 I C 2.099 178.161 176.117 -0.091 0.000 1.117 411 I CA 1.210 62.461 61.300 -0.082 0.000 1.404 411 I CB 0.014 37.986 38.000 -0.047 0.000 1.071 411 I HN 0.138 nan 8.210 nan 0.000 0.419 412 V N 0.515 120.390 119.914 -0.065 0.000 2.427 412 V HA -0.231 3.888 4.120 -0.002 0.000 0.248 412 V C 2.467 178.510 176.094 -0.086 0.000 1.051 412 V CA 1.611 63.870 62.300 -0.069 0.000 1.048 412 V CB -0.184 31.609 31.823 -0.050 0.000 0.666 412 V HN 0.334 nan 8.190 nan 0.000 0.456 413 V N -0.255 119.614 119.914 -0.075 0.000 2.343 413 V HA -0.263 3.856 4.120 -0.002 0.000 0.247 413 V C 2.213 178.251 176.094 -0.093 0.000 1.051 413 V CA 2.111 64.369 62.300 -0.071 0.000 1.036 413 V CB -0.425 31.365 31.823 -0.055 0.000 0.654 413 V HN 0.444 nan 8.190 nan 0.000 0.451 414 I N -0.300 120.185 120.570 -0.141 0.000 2.248 414 I HA -0.336 3.833 4.170 -0.002 0.000 0.248 414 I C 2.727 178.680 176.117 -0.274 0.000 1.107 414 I CA 1.944 63.098 61.300 -0.244 0.000 1.373 414 I CB -0.380 37.401 38.000 -0.365 0.000 1.055 414 I HN 0.320 nan 8.210 nan 0.000 0.418 415 R N 1.026 121.408 120.500 -0.197 0.000 2.064 415 R HA -0.189 4.149 4.340 -0.002 0.000 0.228 415 R C 1.913 178.181 176.300 -0.053 0.000 1.144 415 R CA 2.078 58.117 56.100 -0.101 0.000 0.932 415 R CB -0.291 29.911 30.300 -0.164 0.000 0.833 415 R HN 0.229 nan 8.270 nan 0.000 0.429 416 D N 0.659 120.987 120.400 -0.119 0.000 2.220 416 D HA -0.222 4.417 4.640 -0.002 0.000 0.198 416 D C 1.896 178.192 176.300 -0.005 0.000 1.001 416 D CA 1.442 55.387 54.000 -0.090 0.000 0.875 416 D CB -0.176 40.571 40.800 -0.088 0.000 0.921 416 D HN 0.391 nan 8.370 nan 0.000 0.454 417 I N -0.242 120.363 120.570 0.058 0.000 2.286 417 I HA -0.210 3.959 4.170 -0.002 0.000 0.245 417 I C 1.409 177.766 176.117 0.400 0.000 1.104 417 I CA 0.385 61.787 61.300 0.170 0.000 1.397 417 I CB -0.034 38.041 38.000 0.125 0.000 1.072 417 I HN -0.128 nan 8.210 nan 0.000 0.417 418 F N 1.169 121.232 119.950 0.189 0.000 2.772 418 F HA -0.010 4.516 4.527 -0.002 0.000 0.301 418 F C 2.002 178.020 175.800 0.362 0.000 1.250 418 F CA 0.853 59.073 58.000 0.366 0.000 1.441 418 F CB -0.740 38.569 39.000 0.514 0.000 1.112 418 F HN 0.040 nan 8.300 nan 0.000 0.563 419 R N -1.854 118.844 120.500 0.331 0.000 2.650 419 R HA 0.032 4.371 4.340 -0.002 0.000 0.212 419 R C 1.946 178.268 176.300 0.036 0.000 0.904 419 R CA 0.009 56.227 56.100 0.196 0.000 1.021 419 R CB 0.135 30.471 30.300 0.060 0.000 1.519 419 R HN -0.115 nan 8.270 nan 0.000 0.639 420 K N 0.595 120.921 120.400 -0.122 0.000 2.062 420 K HA -0.026 4.293 4.320 -0.002 0.000 0.205 420 K C -0.060 176.288 176.600 -0.419 0.000 1.051 420 K CA 1.454 57.508 56.287 -0.388 0.000 0.941 420 K CB 0.091 32.154 32.500 -0.728 0.000 0.719 420 K HN 0.109 nan 8.250 nan 0.000 0.440 421 Y N 1.499 121.917 120.300 0.197 0.000 2.915 421 Y HA 0.375 4.924 4.550 -0.002 0.000 0.350 421 Y C -2.231 173.789 175.900 0.199 0.000 1.061 421 Y CA -3.109 55.109 58.100 0.196 0.000 1.179 421 Y CB 0.754 39.387 38.460 0.288 0.000 1.180 421 Y HN 0.035 nan 8.280 nan 0.000 0.605 422 P HA 0.051 nan 4.420 nan 0.000 0.274 422 P C -0.295 177.096 177.300 0.152 0.000 1.237 422 P CA -0.256 62.981 63.100 0.228 0.000 0.793 422 P CB 0.567 32.371 31.700 0.174 0.000 0.977 423 N N 0.174 118.972 118.700 0.164 0.000 2.705 423 N HA -0.224 4.515 4.740 -0.002 0.000 0.255 423 N C 0.391 175.839 175.510 -0.102 0.000 1.008 423 N CA 1.081 54.154 53.050 0.039 0.000 0.742 423 N CB -1.028 37.502 38.487 0.072 0.000 0.906 423 N HN 0.622 nan 8.380 nan 0.000 0.541 424 K N -1.043 119.228 120.400 -0.216 0.000 2.603 424 K HA 0.137 4.456 4.320 -0.002 0.000 0.216 424 K C -0.460 175.721 176.600 -0.699 0.000 1.562 424 K CA 0.026 56.066 56.287 -0.412 0.000 1.012 424 K CB 0.671 32.921 32.500 -0.416 0.000 1.280 424 K HN 0.179 nan 8.250 nan 0.000 0.620 425 Y N 1.006 121.093 120.300 -0.356 0.000 2.577 425 Y HA 0.287 4.836 4.550 -0.002 0.000 0.307 425 Y C 0.314 175.933 175.900 -0.468 0.000 0.940 425 Y CA -0.566 57.345 58.100 -0.315 0.000 1.132 425 Y CB 1.009 39.388 38.460 -0.135 0.000 1.184 425 Y HN 0.034 nan 8.280 nan 0.000 0.611 426 E N -0.374 119.604 120.200 -0.370 0.000 2.285 426 E HA -0.108 4.241 4.350 -0.002 0.000 0.194 426 E C 1.892 178.387 176.600 -0.175 0.000 0.997 426 E CA 1.169 57.311 56.400 -0.430 0.000 0.845 426 E CB 0.193 29.639 29.700 -0.424 0.000 0.782 426 E HN 0.517 nan 8.360 nan 0.000 0.491 427 S N 1.696 117.344 115.700 -0.087 0.000 2.370 427 S HA -0.160 4.309 4.470 -0.002 0.000 0.226 427 S C 2.095 176.715 174.600 0.034 0.000 1.033 427 S CA 0.798 58.985 58.200 -0.022 0.000 1.011 427 S CB -0.533 62.664 63.200 -0.004 0.000 0.852 427 S HN 0.142 nan 8.310 nan 0.000 0.457 428 I N 1.564 122.194 120.570 0.101 0.000 2.614 428 I HA -0.083 4.085 4.170 -0.002 0.000 0.258 428 I C 2.127 178.328 176.117 0.140 0.000 1.189 428 I CA 0.720 62.106 61.300 0.144 0.000 1.462 428 I CB -0.496 37.642 38.000 0.231 0.000 1.092 428 I HN 0.235 nan 8.210 nan 0.000 0.442 429 I N 0.852 121.515 120.570 0.155 0.000 2.236 429 I HA -0.394 3.774 4.170 -0.002 0.000 0.249 429 I C 2.664 178.839 176.117 0.097 0.000 1.102 429 I CA 1.695 63.090 61.300 0.160 0.000 1.365 429 I CB -0.413 37.669 38.000 0.136 0.000 1.051 429 I HN 0.251 nan 8.210 nan 0.000 0.420 430 A N -0.127 122.731 122.820 0.063 0.000 1.968 430 A HA -0.158 4.161 4.320 -0.002 0.000 0.217 430 A C 2.334 179.943 177.584 0.041 0.000 1.169 430 A CA 2.037 54.099 52.037 0.043 0.000 0.638 430 A CB -0.977 18.039 19.000 0.027 0.000 0.812 430 A HN 0.426 nan 8.150 nan 0.000 0.446 431 T N 0.270 114.851 114.554 0.045 0.000 2.833 431 T HA -0.097 4.252 4.350 -0.002 0.000 0.269 431 T C 1.555 176.275 174.700 0.033 0.000 1.054 431 T CA 1.335 63.456 62.100 0.036 0.000 1.135 431 T CB -0.204 68.687 68.868 0.039 0.000 0.869 431 T HN 0.209 nan 8.240 nan 0.000 0.466 432 L N 0.589 121.840 121.223 0.045 0.000 2.162 432 L HA 0.121 4.459 4.340 -0.002 0.000 0.205 432 L C 2.511 179.409 176.870 0.048 0.000 1.086 432 L CA 0.738 55.600 54.840 0.036 0.000 0.778 432 L CB -1.022 41.059 42.059 0.037 0.000 0.928 432 L HN 0.356 nan 8.230 nan 0.000 0.446 433 C N -1.078 118.255 119.300 0.056 0.000 2.500 433 C HA -0.034 4.425 4.460 -0.002 0.000 0.273 433 C C 2.504 177.520 174.990 0.045 0.000 1.428 433 C CA -0.278 58.773 59.018 0.056 0.000 1.766 433 C CB -0.699 27.070 27.740 0.048 0.000 1.817 433 C HN 0.526 nan 8.230 nan 0.000 0.543 434 E N 1.530 121.751 120.200 0.035 0.000 2.049 434 E HA -0.182 4.166 4.350 -0.002 0.000 0.198 434 E C 0.796 177.415 176.600 0.032 0.000 1.007 434 E CA 0.995 57.411 56.400 0.028 0.000 0.809 434 E CB -0.203 29.509 29.700 0.019 0.000 0.749 434 E HN 0.733 nan 8.360 nan 0.000 0.450 435 N N 0.947 119.666 118.700 0.033 0.000 3.111 435 N HA 0.019 4.758 4.740 -0.002 0.000 0.302 435 N C 0.664 176.210 175.510 0.060 0.000 1.317 435 N CA -0.491 52.579 53.050 0.034 0.000 1.151 435 N CB 0.320 38.816 38.487 0.016 0.000 1.456 435 N HN 0.062 nan 8.380 nan 0.000 0.547 436 L N 0.901 122.173 121.223 0.083 0.000 2.240 436 L HA -0.128 4.211 4.340 -0.002 0.000 0.211 436 L C 1.994 178.941 176.870 0.129 0.000 1.106 436 L CA 1.110 56.035 54.840 0.143 0.000 0.793 436 L CB -0.170 41.985 42.059 0.159 0.000 0.927 436 L HN 0.352 nan 8.230 nan 0.000 0.446 437 D N -0.375 120.075 120.400 0.083 0.000 2.321 437 D HA -0.276 4.363 4.640 -0.002 0.000 0.194 437 D C 1.057 177.380 176.300 0.039 0.000 1.013 437 D CA 2.018 56.053 54.000 0.058 0.000 0.863 437 D CB -0.730 40.092 40.800 0.036 0.000 1.011 437 D HN 0.457 nan 8.370 nan 0.000 0.457 438 S N -0.311 115.403 115.700 0.023 0.000 2.143 438 S HA 0.456 4.924 4.470 -0.002 0.000 0.188 438 S C 0.197 174.796 174.600 -0.001 0.000 1.431 438 S CA -0.898 57.306 58.200 0.006 0.000 1.253 438 S CB -0.382 62.820 63.200 0.003 0.000 1.137 438 S HN 0.257 nan 8.310 nan 0.000 0.457 439 L N 2.725 123.942 121.223 -0.009 0.000 2.475 439 L HA 0.321 4.660 4.340 -0.002 0.000 0.253 439 L C 0.711 177.554 176.870 -0.044 0.000 1.137 439 L CA -0.636 54.192 54.840 -0.021 0.000 1.058 439 L CB 0.060 42.107 42.059 -0.019 0.000 1.382 439 L HN 0.404 nan 8.230 nan 0.000 0.416 440 D N 0.145 120.528 120.400 -0.028 0.000 2.144 440 D HA -0.162 4.477 4.640 -0.002 0.000 0.199 440 D C 0.495 176.771 176.300 -0.040 0.000 0.984 440 D CA 0.776 54.755 54.000 -0.035 0.000 0.834 440 D CB -0.006 40.784 40.800 -0.016 0.000 0.955 440 D HN 0.447 nan 8.370 nan 0.000 0.465 441 E N 1.040 121.225 120.200 -0.024 0.000 2.398 441 E HA 0.064 4.413 4.350 -0.002 0.000 0.263 441 E C -1.554 175.022 176.600 -0.039 0.000 1.046 441 E CA -1.210 55.176 56.400 -0.023 0.000 0.908 441 E CB 0.874 30.570 29.700 -0.006 0.000 0.963 441 E HN 0.138 nan 8.360 nan 0.000 0.431 442 P HA -0.064 nan 4.420 nan 0.000 0.224 442 P C 0.225 177.504 177.300 -0.035 0.000 1.157 442 P CA 0.815 63.886 63.100 -0.049 0.000 0.799 442 P CB 0.353 32.025 31.700 -0.047 0.000 0.809 443 D N 0.332 120.717 120.400 -0.025 0.000 2.097 443 D HA -0.083 4.556 4.640 -0.002 0.000 0.197 443 D C 2.161 178.453 176.300 -0.013 0.000 0.984 443 D CA 1.597 55.585 54.000 -0.020 0.000 0.826 443 D CB -0.910 39.877 40.800 -0.021 0.000 0.973 443 D HN 0.019 nan 8.370 nan 0.000 0.460 444 A N 1.332 124.144 122.820 -0.013 0.000 1.927 444 A HA -0.271 4.048 4.320 -0.002 0.000 0.220 444 A C 2.148 179.739 177.584 0.010 0.000 1.185 444 A CA 1.702 53.736 52.037 -0.005 0.000 0.639 444 A CB -0.494 18.501 19.000 -0.007 0.000 0.820 444 A HN 0.193 nan 8.150 nan 0.000 0.451 445 R N -0.723 119.770 120.500 -0.012 0.000 2.062 445 R HA 0.008 4.347 4.340 -0.002 0.000 0.231 445 R C 2.458 178.800 176.300 0.070 0.000 1.136 445 R CA 1.186 57.278 56.100 -0.014 0.000 0.948 445 R CB -0.586 29.637 30.300 -0.128 0.000 0.845 445 R HN 0.469 nan 8.270 nan 0.000 0.430 446 A N 1.439 124.292 122.820 0.054 0.000 2.070 446 A HA -0.047 4.271 4.320 -0.002 0.000 0.220 446 A C 2.306 179.972 177.584 0.137 0.000 1.159 446 A CA 1.497 53.594 52.037 0.101 0.000 0.656 446 A CB -0.432 18.603 19.000 0.057 0.000 0.800 446 A HN 0.414 nan 8.150 nan 0.000 0.453 447 A N -0.784 122.091 122.820 0.093 0.000 1.872 447 A HA -0.027 4.291 4.320 -0.002 0.000 0.214 447 A C 2.165 179.866 177.584 0.195 0.000 1.187 447 A CA 1.708 53.806 52.037 0.100 0.000 0.614 447 A CB -0.448 18.565 19.000 0.023 0.000 0.826 447 A HN 0.394 nan 8.150 nan 0.000 0.442 448 M N -0.160 119.543 119.600 0.171 0.000 2.084 448 M HA -0.105 4.374 4.480 -0.002 0.000 0.259 448 M C 2.252 178.704 176.300 0.254 0.000 1.072 448 M CA 1.522 56.946 55.300 0.207 0.000 1.107 448 M CB -1.329 31.407 32.600 0.226 0.000 1.299 448 M HN 0.425 nan 8.290 nan 0.000 0.413 449 I N -1.435 119.307 120.570 0.287 0.000 2.145 449 I HA -0.358 3.811 4.170 -0.002 0.000 0.244 449 I C 2.393 178.656 176.117 0.243 0.000 1.075 449 I CA 1.817 63.279 61.300 0.270 0.000 1.332 449 I CB -0.543 37.638 38.000 0.301 0.000 1.033 449 I HN 0.446 nan 8.210 nan 0.000 0.410 450 W N 1.483 122.841 121.300 0.096 0.000 2.402 450 W HA -0.150 4.509 4.660 -0.002 0.000 0.286 450 W C 2.220 178.789 176.519 0.083 0.000 1.221 450 W CA 1.289 58.678 57.345 0.073 0.000 1.257 450 W CB -0.117 29.379 29.460 0.060 0.000 1.120 450 W HN 0.014 nan 8.180 nan 0.000 0.551 451 I N -0.101 120.692 120.570 0.371 0.000 2.142 451 I HA -0.336 3.833 4.170 -0.002 0.000 0.240 451 I C 2.060 178.230 176.117 0.088 0.000 1.078 451 I CA 1.553 63.012 61.300 0.265 0.000 1.343 451 I CB -0.909 37.297 38.000 0.345 0.000 1.046 451 I HN -0.245 nan 8.210 nan 0.000 0.405 452 V N 0.990 120.956 119.914 0.087 0.000 3.026 452 V HA -0.145 3.974 4.120 -0.002 0.000 0.265 452 V C 2.248 178.302 176.094 -0.067 0.000 1.121 452 V CA 1.591 63.908 62.300 0.029 0.000 1.142 452 V CB -1.524 30.311 31.823 0.020 0.000 0.730 452 V HN 0.584 nan 8.190 nan 0.000 0.503 453 G N -0.014 108.686 108.800 -0.166 0.000 2.496 453 G HA2 -0.058 3.901 3.960 -0.002 0.000 0.214 453 G HA3 -0.058 3.901 3.960 -0.002 0.000 0.214 453 G C 0.754 175.397 174.900 -0.428 0.000 1.234 453 G CA 0.036 44.965 45.100 -0.284 0.000 0.807 453 G HN 0.489 nan 8.290 nan 0.000 0.543 454 E N -0.397 119.328 120.200 -0.792 0.000 2.435 454 E HA 0.083 4.432 4.350 -0.002 0.000 0.254 454 E C -0.045 176.265 176.600 -0.483 0.000 1.289 454 E CA -0.465 55.444 56.400 -0.817 0.000 0.983 454 E CB -0.180 28.675 29.700 -1.407 0.000 1.010 454 E HN 0.522 nan 8.360 nan 0.000 0.509 455 Y N -1.721 118.474 120.300 -0.175 0.000 3.617 455 Y HA -0.318 4.231 4.550 -0.001 0.000 0.215 455 Y C 1.300 177.150 175.900 -0.082 0.000 1.178 455 Y CA -0.060 57.979 58.100 -0.101 0.000 1.517 455 Y CB -2.027 36.399 38.460 -0.056 0.000 1.457 455 Y HN 0.551 nan 8.280 nan 0.000 0.615 456 A N 0.875 123.691 122.820 -0.007 0.000 1.897 456 A HA -0.198 4.121 4.320 -0.002 0.000 0.215 456 A C 2.147 179.724 177.584 -0.011 0.000 1.181 456 A CA 1.578 53.600 52.037 -0.025 0.000 0.620 456 A CB -0.276 18.684 19.000 -0.067 0.000 0.821 456 A HN 0.538 nan 8.150 nan 0.000 0.443 457 E N 0.740 120.933 120.200 -0.012 0.000 2.274 457 E HA -0.180 4.169 4.350 -0.002 0.000 0.194 457 E C 1.767 178.365 176.600 -0.003 0.000 0.996 457 E CA 1.211 57.601 56.400 -0.017 0.000 0.840 457 E CB -0.543 29.142 29.700 -0.025 0.000 0.772 457 E HN 0.574 nan 8.360 nan 0.000 0.491 458 R N 0.223 120.735 120.500 0.019 0.000 2.189 458 R HA 0.143 4.482 4.340 -0.002 0.000 0.218 458 R C 0.298 176.600 176.300 0.003 0.000 1.074 458 R CA 0.514 56.620 56.100 0.010 0.000 0.991 458 R CB -0.038 30.270 30.300 0.013 0.000 0.883 458 R HN 0.140 nan 8.270 nan 0.000 0.457 459 I N 1.570 122.146 120.570 0.009 0.000 2.355 459 I HA 0.054 4.223 4.170 -0.002 0.000 0.288 459 I C 0.576 176.687 176.117 -0.011 0.000 0.999 459 I CA -0.494 60.807 61.300 0.001 0.000 1.163 459 I CB 1.815 39.820 38.000 0.008 0.000 1.316 459 I HN 0.133 nan 8.210 nan 0.000 0.454 460 D N 4.235 124.626 120.400 -0.015 0.000 2.219 460 D HA -0.213 4.426 4.640 -0.002 0.000 0.205 460 D C 1.186 177.472 176.300 -0.023 0.000 0.970 460 D CA 1.174 55.161 54.000 -0.021 0.000 0.851 460 D CB -0.032 40.757 40.800 -0.020 0.000 0.943 460 D HN 0.503 nan 8.370 nan 0.000 0.488 461 N N 0.334 119.022 118.700 -0.021 0.000 2.461 461 N HA 0.074 4.813 4.740 -0.002 0.000 0.188 461 N C 1.473 176.961 175.510 -0.037 0.000 1.134 461 N CA 0.665 53.699 53.050 -0.026 0.000 0.878 461 N CB -0.168 38.307 38.487 -0.021 0.000 0.972 461 N HN 0.198 nan 8.380 nan 0.000 0.456 462 A N -0.188 122.612 122.820 -0.034 0.000 2.234 462 A HA -0.147 4.172 4.320 -0.002 0.000 0.216 462 A C 1.553 179.100 177.584 -0.062 0.000 1.167 462 A CA 1.236 53.246 52.037 -0.045 0.000 0.698 462 A CB -0.271 18.710 19.000 -0.033 0.000 0.779 462 A HN 0.316 nan 8.150 nan 0.000 0.475 463 D N 0.280 120.648 120.400 -0.054 0.000 2.092 463 D HA -0.098 4.540 4.640 -0.002 0.000 0.203 463 D C 1.476 177.732 176.300 -0.074 0.000 0.978 463 D CA 1.493 55.461 54.000 -0.053 0.000 0.861 463 D CB -0.619 40.159 40.800 -0.038 0.000 1.005 463 D HN 0.524 nan 8.370 nan 0.000 0.450 464 E N 0.422 120.582 120.200 -0.067 0.000 2.516 464 E HA 0.017 4.366 4.350 -0.002 0.000 0.199 464 E C 1.981 178.508 176.600 -0.122 0.000 1.069 464 E CA -0.082 56.274 56.400 -0.073 0.000 0.876 464 E CB -0.061 29.612 29.700 -0.046 0.000 0.843 464 E HN 0.265 nan 8.360 nan 0.000 0.530 465 L N -0.061 121.065 121.223 -0.162 0.000 1.973 465 L HA -0.160 4.178 4.340 -0.002 0.000 0.208 465 L C 2.165 178.740 176.870 -0.492 0.000 1.073 465 L CA 1.160 55.823 54.840 -0.294 0.000 0.746 465 L CB -0.598 41.319 42.059 -0.238 0.000 0.891 465 L HN 0.241 nan 8.230 nan 0.000 0.433 466 L N -0.406 120.610 121.223 -0.346 0.000 2.083 466 L HA -0.219 4.120 4.340 -0.002 0.000 0.209 466 L C 2.575 179.336 176.870 -0.181 0.000 1.083 466 L CA 1.299 55.961 54.840 -0.297 0.000 0.752 466 L CB -0.768 41.214 42.059 -0.127 0.000 0.899 466 L HN 0.424 nan 8.230 nan 0.000 0.433 467 E N 0.651 120.775 120.200 -0.125 0.000 2.160 467 E HA -0.254 4.095 4.350 -0.002 0.000 0.195 467 E C 2.271 178.863 176.600 -0.013 0.000 0.991 467 E CA 1.658 58.024 56.400 -0.056 0.000 0.810 467 E CB 0.096 29.769 29.700 -0.044 0.000 0.742 467 E HN 0.534 nan 8.360 nan 0.000 0.466 468 S N -0.531 115.140 115.700 -0.048 0.000 2.428 468 S HA -0.084 4.385 4.470 -0.002 0.000 0.230 468 S C 1.726 176.513 174.600 0.312 0.000 1.014 468 S CA 0.463 58.712 58.200 0.082 0.000 0.957 468 S CB -0.302 62.934 63.200 0.059 0.000 0.784 468 S HN 0.186 nan 8.310 nan 0.000 0.499 469 F N 1.572 121.550 119.950 0.047 0.000 2.270 469 F HA 0.378 4.904 4.527 -0.002 0.000 0.295 469 F C 2.073 177.934 175.800 0.102 0.000 1.087 469 F CA -0.611 57.431 58.000 0.070 0.000 1.365 469 F CB -1.198 37.850 39.000 0.079 0.000 1.056 469 F HN 0.203 nan 8.300 nan 0.000 0.506 470 L N -0.186 121.197 121.223 0.267 0.000 2.189 470 L HA -0.242 4.097 4.340 -0.002 0.000 0.214 470 L C 2.296 179.262 176.870 0.160 0.000 1.097 470 L CA 0.886 55.827 54.840 0.168 0.000 0.764 470 L CB -0.385 41.683 42.059 0.015 0.000 0.900 470 L HN 0.042 nan 8.230 nan 0.000 0.436 471 E N 0.290 120.577 120.200 0.144 0.000 2.026 471 E HA -0.171 4.178 4.350 -0.002 0.000 0.206 471 E C 1.334 178.009 176.600 0.126 0.000 1.028 471 E CA 1.488 57.956 56.400 0.114 0.000 0.845 471 E CB -0.516 29.245 29.700 0.102 0.000 0.772 471 E HN 0.347 nan 8.360 nan 0.000 0.462 472 G N -0.604 108.269 108.800 0.122 0.000 3.286 472 G HA2 0.183 4.141 3.960 -0.002 0.000 0.303 472 G HA3 0.183 4.141 3.960 -0.002 0.000 0.303 472 G C 0.120 175.089 174.900 0.115 0.000 0.974 472 G CA -0.427 44.736 45.100 0.105 0.000 1.635 472 G HN 0.148 nan 8.290 nan 0.000 0.535 473 F N 1.978 121.924 119.950 -0.007 0.000 2.234 473 F HA 0.155 4.681 4.527 -0.002 0.000 0.296 473 F C 1.607 177.330 175.800 -0.127 0.000 1.089 473 F CA 0.485 58.440 58.000 -0.075 0.000 1.343 473 F CB -0.155 38.763 39.000 -0.137 0.000 1.040 473 F HN 0.417 nan 8.300 nan 0.000 0.498 474 H N 0.680 119.630 119.070 -0.200 0.000 1.891 474 H HA 0.026 4.581 4.556 -0.002 0.000 0.317 474 H C 0.604 175.826 175.328 -0.177 0.000 1.932 474 H CA 0.951 56.847 56.048 -0.253 0.000 1.369 474 H CB -0.097 29.608 29.762 -0.095 0.000 1.690 474 H HN 0.083 nan 8.280 nan 0.000 0.527 475 D N -1.079 119.338 120.400 0.028 0.000 3.068 475 D HA -0.177 4.461 4.640 -0.002 0.000 0.219 475 D C -0.630 175.625 176.300 -0.075 0.000 1.175 475 D CA 1.046 55.031 54.000 -0.025 0.000 0.942 475 D CB -0.892 39.901 40.800 -0.012 0.000 1.127 475 D HN 0.430 nan 8.370 nan 0.000 0.404 476 E N 0.289 120.411 120.200 -0.130 0.000 2.176 476 E HA 0.358 4.707 4.350 -0.002 0.000 0.267 476 E C -0.179 176.334 176.600 -0.144 0.000 0.893 476 E CA -0.547 55.755 56.400 -0.162 0.000 0.761 476 E CB 1.894 31.440 29.700 -0.256 0.000 1.133 476 E HN 0.053 nan 8.360 nan 0.000 0.409 477 S N 1.594 117.233 115.700 -0.102 0.000 2.817 477 S HA -0.127 4.341 4.470 -0.002 0.000 0.333 477 S C 1.640 176.185 174.600 -0.092 0.000 1.227 477 S CA 0.868 59.020 58.200 -0.079 0.000 1.027 477 S CB 0.247 63.412 63.200 -0.060 0.000 0.732 477 S HN 0.634 nan 8.310 nan 0.000 0.499 478 T N 2.766 117.275 114.554 -0.075 0.000 2.881 478 T HA -0.150 4.199 4.350 -0.002 0.000 0.270 478 T C 1.520 176.195 174.700 -0.041 0.000 1.068 478 T CA 1.437 63.493 62.100 -0.072 0.000 1.131 478 T CB -0.330 68.509 68.868 -0.048 0.000 0.871 478 T HN 0.792 nan 8.240 nan 0.000 0.479 479 Q N 0.061 119.844 119.800 -0.028 0.000 2.291 479 Q HA 0.039 4.378 4.340 -0.002 0.000 0.205 479 Q C 2.438 178.443 176.000 0.009 0.000 0.970 479 Q CA 0.937 56.737 55.803 -0.006 0.000 0.876 479 Q CB -0.298 28.433 28.738 -0.010 0.000 0.935 479 Q HN 0.469 nan 8.270 nan 0.000 0.455 480 V N 0.633 120.539 119.914 -0.013 0.000 2.719 480 V HA -0.219 3.899 4.120 -0.002 0.000 0.252 480 V C 1.711 177.835 176.094 0.050 0.000 1.065 480 V CA 1.547 63.851 62.300 0.007 0.000 1.086 480 V CB 0.036 31.834 31.823 -0.043 0.000 0.700 480 V HN 0.361 nan 8.190 nan 0.000 0.467 481 Q N -0.811 118.997 119.800 0.013 0.000 2.123 481 Q HA -0.003 4.336 4.340 -0.002 0.000 0.196 481 Q C 2.254 178.350 176.000 0.160 0.000 0.958 481 Q CA 1.161 57.026 55.803 0.103 0.000 0.841 481 Q CB -0.132 28.557 28.738 -0.083 0.000 0.915 481 Q HN 0.484 nan 8.270 nan 0.000 0.455 482 L N 0.470 121.750 121.223 0.094 0.000 2.064 482 L HA -0.294 4.045 4.340 -0.002 0.000 0.216 482 L C 2.278 179.236 176.870 0.147 0.000 1.077 482 L CA 1.400 56.300 54.840 0.101 0.000 0.766 482 L CB -0.364 41.732 42.059 0.061 0.000 0.890 482 L HN 0.308 nan 8.230 nan 0.000 0.435 483 T N -0.804 113.837 114.554 0.146 0.000 2.896 483 T HA -0.115 4.233 4.350 -0.002 0.000 0.263 483 T C 1.705 176.526 174.700 0.203 0.000 1.050 483 T CA 0.795 63.006 62.100 0.185 0.000 1.140 483 T CB -0.036 68.936 68.868 0.172 0.000 0.877 483 T HN 0.138 nan 8.240 nan 0.000 0.457 484 L N 0.965 122.312 121.223 0.206 0.000 2.017 484 L HA -0.010 4.328 4.340 -0.002 0.000 0.208 484 L C 2.121 179.093 176.870 0.169 0.000 1.073 484 L CA 1.552 56.521 54.840 0.215 0.000 0.745 484 L CB -0.517 41.718 42.059 0.293 0.000 0.894 484 L HN 0.221 nan 8.230 nan 0.000 0.432 485 L N -1.281 120.054 121.223 0.187 0.000 1.948 485 L HA -0.234 4.105 4.340 -0.002 0.000 0.212 485 L C 2.454 179.458 176.870 0.224 0.000 1.074 485 L CA 2.291 57.243 54.840 0.186 0.000 0.753 485 L CB -1.305 40.880 42.059 0.211 0.000 0.888 485 L HN 0.262 nan 8.230 nan 0.000 0.432 486 T N 0.210 114.955 114.554 0.317 0.000 2.714 486 T HA -0.247 4.102 4.350 -0.002 0.000 0.268 486 T C 1.671 176.423 174.700 0.087 0.000 1.036 486 T CA 1.648 63.907 62.100 0.265 0.000 1.148 486 T CB -0.190 68.862 68.868 0.306 0.000 0.856 486 T HN 0.495 nan 8.240 nan 0.000 0.462 487 A N 0.094 122.974 122.820 0.100 0.000 2.123 487 A HA 0.266 4.584 4.320 -0.002 0.000 0.214 487 A C 2.043 179.632 177.584 0.008 0.000 1.152 487 A CA 0.414 52.471 52.037 0.033 0.000 0.728 487 A CB -0.244 18.796 19.000 0.067 0.000 0.814 487 A HN 0.540 nan 8.150 nan 0.000 0.464 488 I N 0.299 120.884 120.570 0.026 0.000 3.728 488 I HA -0.062 4.107 4.170 -0.002 0.000 0.307 488 I C 1.809 177.933 176.117 0.012 0.000 1.276 488 I CA 0.778 62.086 61.300 0.013 0.000 1.285 488 I CB 0.445 38.446 38.000 0.002 0.000 1.038 488 I HN 0.311 nan 8.210 nan 0.000 0.445 489 V N -3.145 116.748 119.914 -0.035 0.000 3.644 489 V HA 0.132 4.250 4.120 -0.002 0.000 0.267 489 V C 1.887 177.931 176.094 -0.082 0.000 1.277 489 V CA 0.373 62.624 62.300 -0.081 0.000 1.096 489 V CB -0.301 31.340 31.823 -0.302 0.000 0.828 489 V HN 0.174 nan 8.190 nan 0.000 0.446 490 K N 0.372 120.722 120.400 -0.083 0.000 2.228 490 K HA 0.170 4.489 4.320 -0.002 0.000 0.202 490 K C 1.981 178.544 176.600 -0.061 0.000 1.051 490 K CA 1.472 57.707 56.287 -0.087 0.000 0.960 490 K CB -0.032 32.395 32.500 -0.121 0.000 0.743 490 K HN 0.532 nan 8.250 nan 0.000 0.458 491 L N -0.210 120.996 121.223 -0.027 0.000 2.179 491 L HA -0.021 4.318 4.340 -0.002 0.000 0.208 491 L C 1.955 178.827 176.870 0.003 0.000 1.096 491 L CA 0.938 55.767 54.840 -0.018 0.000 0.779 491 L CB -0.055 42.002 42.059 -0.003 0.000 0.922 491 L HN 0.039 nan 8.230 nan 0.000 0.443 492 F N -0.144 119.766 119.950 -0.066 0.000 2.270 492 F HA -0.024 4.502 4.527 -0.002 0.000 0.295 492 F C 1.881 177.653 175.800 -0.047 0.000 1.087 492 F CA 0.943 58.913 58.000 -0.050 0.000 1.365 492 F CB 0.057 39.033 39.000 -0.040 0.000 1.056 492 F HN -0.099 nan 8.300 nan 0.000 0.506 493 L N 0.093 121.363 121.223 0.079 0.000 2.651 493 L HA -0.179 4.160 4.340 -0.002 0.000 0.236 493 L C 1.469 178.286 176.870 -0.088 0.000 1.173 493 L CA 1.050 55.894 54.840 0.007 0.000 0.843 493 L CB -0.394 41.666 42.059 0.001 0.000 0.964 493 L HN 0.198 nan 8.230 nan 0.000 0.454 494 K N -0.794 119.515 120.400 -0.152 0.000 2.506 494 K HA 0.196 4.514 4.320 -0.002 0.000 0.237 494 K C 0.211 176.656 176.600 -0.257 0.000 1.276 494 K CA -0.359 55.828 56.287 -0.166 0.000 0.753 494 K CB 0.348 32.779 32.500 -0.115 0.000 1.627 494 K HN -0.028 nan 8.250 nan 0.000 0.397 495 K N 3.502 123.744 120.400 -0.263 0.000 2.312 495 K HA 0.201 4.519 4.320 -0.002 0.000 0.287 495 K C -2.455 173.865 176.600 -0.467 0.000 1.062 495 K CA -1.595 54.532 56.287 -0.268 0.000 0.934 495 K CB 1.079 33.486 32.500 -0.156 0.000 1.027 495 K HN 0.087 nan 8.250 nan 0.000 0.478 496 P HA 0.149 nan 4.420 nan 0.000 0.304 496 P C 0.151 177.375 177.300 -0.126 0.000 1.310 496 P CA -0.396 62.440 63.100 -0.439 0.000 0.796 496 P CB 1.542 33.047 31.700 -0.325 0.000 1.297 497 S N -1.485 114.224 115.700 0.014 0.000 1.728 497 S HA -0.369 4.100 4.470 -0.002 0.000 0.226 497 S C 1.508 176.129 174.600 0.035 0.000 0.868 497 S CA 1.968 60.193 58.200 0.041 0.000 1.531 497 S CB -2.697 60.508 63.200 0.008 0.000 2.005 497 S HN 0.577 nan 8.310 nan 0.000 0.534 498 E N 1.067 121.269 120.200 0.003 0.000 2.110 498 E HA -0.087 4.261 4.350 -0.002 0.000 0.193 498 E C 2.066 178.682 176.600 0.027 0.000 0.988 498 E CA 1.697 58.099 56.400 0.004 0.000 0.804 498 E CB -0.434 29.256 29.700 -0.018 0.000 0.745 498 E HN 0.884 nan 8.360 nan 0.000 0.458 499 T N 1.141 115.728 114.554 0.054 0.000 2.985 499 T HA -0.078 4.270 4.350 -0.002 0.000 0.266 499 T C 1.670 176.477 174.700 0.179 0.000 1.076 499 T CA 0.498 62.675 62.100 0.130 0.000 1.135 499 T CB 0.030 69.029 68.868 0.218 0.000 0.890 499 T HN 0.065 nan 8.240 nan 0.000 0.480 500 Q N 1.003 120.923 119.800 0.199 0.000 2.226 500 Q HA -0.095 4.244 4.340 -0.002 0.000 0.204 500 Q C 2.249 178.280 176.000 0.052 0.000 0.975 500 Q CA 0.767 56.653 55.803 0.138 0.000 0.866 500 Q CB -0.297 28.525 28.738 0.139 0.000 0.915 500 Q HN 0.471 nan 8.270 nan 0.000 0.440 501 E N 0.637 120.861 120.200 0.041 0.000 2.108 501 E HA -0.191 4.158 4.350 -0.002 0.000 0.203 501 E C 1.926 178.520 176.600 -0.009 0.000 1.022 501 E CA 1.300 57.707 56.400 0.012 0.000 0.823 501 E CB -0.008 29.696 29.700 0.007 0.000 0.744 501 E HN 0.360 nan 8.360 nan 0.000 0.456 502 L N -0.804 120.415 121.223 -0.008 0.000 2.379 502 L HA -0.006 4.333 4.340 -0.002 0.000 0.190 502 L C 2.530 179.354 176.870 -0.077 0.000 1.111 502 L CA 0.756 55.570 54.840 -0.043 0.000 0.820 502 L CB -0.914 41.123 42.059 -0.037 0.000 1.046 502 L HN -0.053 nan 8.230 nan 0.000 0.485 503 V N -1.060 118.819 119.914 -0.059 0.000 2.708 503 V HA -0.374 3.745 4.120 -0.002 0.000 0.264 503 V C 2.190 178.165 176.094 -0.198 0.000 1.124 503 V CA 2.167 64.387 62.300 -0.132 0.000 1.138 503 V CB -1.305 30.405 31.823 -0.189 0.000 0.706 503 V HN 0.653 nan 8.190 nan 0.000 0.493 504 Q N 0.643 120.350 119.800 -0.155 0.000 1.889 504 Q HA -0.277 4.062 4.340 -0.002 0.000 0.211 504 Q C 2.459 178.333 176.000 -0.209 0.000 0.988 504 Q CA 2.269 57.971 55.803 -0.169 0.000 0.861 504 Q CB -0.345 28.336 28.738 -0.096 0.000 0.922 504 Q HN 0.752 nan 8.270 nan 0.000 0.425 505 Q N -0.148 119.553 119.800 -0.164 0.000 2.173 505 Q HA -0.195 4.144 4.340 -0.002 0.000 0.208 505 Q C 2.111 177.947 176.000 -0.273 0.000 0.989 505 Q CA 1.868 57.562 55.803 -0.181 0.000 0.872 505 Q CB -0.192 28.465 28.738 -0.134 0.000 0.909 505 Q HN 0.267 nan 8.270 nan 0.000 0.420 506 V N 0.617 120.360 119.914 -0.286 0.000 2.265 506 V HA -0.261 3.858 4.120 -0.002 0.000 0.224 506 V C 2.043 177.907 176.094 -0.383 0.000 1.023 506 V CA 1.525 63.601 62.300 -0.374 0.000 1.011 506 V CB -0.743 30.923 31.823 -0.261 0.000 0.651 506 V HN 0.277 nan 8.190 nan 0.000 0.466 507 L N 1.016 122.042 121.223 -0.329 0.000 2.230 507 L HA -0.295 4.044 4.340 -0.002 0.000 0.217 507 L C 2.704 179.286 176.870 -0.480 0.000 1.090 507 L CA 1.994 56.607 54.840 -0.379 0.000 0.771 507 L CB -0.884 40.903 42.059 -0.453 0.000 0.892 507 L HN 0.617 nan 8.230 nan 0.000 0.438 508 S N 0.066 115.494 115.700 -0.453 0.000 2.406 508 S HA -0.287 4.182 4.470 -0.002 0.000 0.242 508 S C 1.838 176.261 174.600 -0.295 0.000 1.079 508 S CA 2.339 60.315 58.200 -0.373 0.000 1.133 508 S CB -0.352 62.686 63.200 -0.270 0.000 1.005 508 S HN 0.482 nan 8.310 nan 0.000 0.443 509 L N 0.588 121.646 121.223 -0.274 0.000 2.202 509 L HA 0.257 4.595 4.340 -0.002 0.000 0.205 509 L C 3.104 179.923 176.870 -0.085 0.000 1.083 509 L CA 0.731 55.481 54.840 -0.151 0.000 0.790 509 L CB -0.868 41.087 42.059 -0.174 0.000 0.942 509 L HN 0.448 nan 8.230 nan 0.000 0.452 510 A N 0.368 123.112 122.820 -0.127 0.000 1.908 510 A HA -0.195 4.124 4.320 -0.002 0.000 0.218 510 A C 2.353 179.829 177.584 -0.180 0.000 1.181 510 A CA 2.564 54.551 52.037 -0.083 0.000 0.627 510 A CB -0.845 18.104 19.000 -0.086 0.000 0.818 510 A HN 0.376 nan 8.150 nan 0.000 0.445 511 T N -1.007 113.358 114.554 -0.314 0.000 2.976 511 T HA -0.019 4.329 4.350 -0.002 0.000 0.257 511 T C 2.007 176.506 174.700 -0.334 0.000 1.051 511 T CA 1.323 63.099 62.100 -0.540 0.000 1.141 511 T CB -0.013 68.416 68.868 -0.732 0.000 0.881 511 T HN 0.459 nan 8.240 nan 0.000 0.461 512 Q N 0.504 120.185 119.800 -0.200 0.000 2.499 512 Q HA 0.165 4.504 4.340 -0.002 0.000 0.213 512 Q C 1.585 177.569 176.000 -0.026 0.000 0.929 512 Q CA 0.840 56.588 55.803 -0.092 0.000 0.904 512 Q CB -0.329 28.360 28.738 -0.083 0.000 1.052 512 Q HN 0.341 nan 8.270 nan 0.000 0.589 513 D N 1.946 122.348 120.400 0.004 0.000 2.178 513 D HA 0.038 4.677 4.640 -0.002 0.000 0.217 513 D C 0.720 177.099 176.300 0.132 0.000 0.992 513 D CA 1.145 55.201 54.000 0.093 0.000 0.895 513 D CB -0.602 40.306 40.800 0.180 0.000 1.031 513 D HN 0.228 nan 8.370 nan 0.000 0.453 514 S N 0.455 116.263 115.700 0.180 0.000 2.573 514 S HA -0.019 4.450 4.470 -0.002 0.000 0.297 514 S C 0.419 175.060 174.600 0.067 0.000 1.280 514 S CA 0.401 58.697 58.200 0.161 0.000 1.061 514 S CB 0.006 63.281 63.200 0.124 0.000 0.812 514 S HN 0.064 nan 8.310 nan 0.000 0.500 515 D N 0.507 120.938 120.400 0.051 0.000 2.360 515 D HA 0.043 4.681 4.640 -0.002 0.000 0.210 515 D C 0.277 176.587 176.300 0.016 0.000 1.047 515 D CA -0.155 53.859 54.000 0.025 0.000 0.854 515 D CB 0.093 40.902 40.800 0.015 0.000 0.936 515 D HN 0.552 nan 8.370 nan 0.000 0.514 516 N N 1.820 120.529 118.700 0.014 0.000 2.418 516 N HA -0.027 4.712 4.740 -0.002 0.000 0.277 516 N C -1.804 173.710 175.510 0.006 0.000 1.317 516 N CA -1.101 51.953 53.050 0.006 0.000 0.922 516 N CB 1.036 39.524 38.487 0.000 0.000 1.194 516 N HN -0.046 nan 8.380 nan 0.000 0.485 517 P HA -0.064 nan 4.420 nan 0.000 0.230 517 P C 0.711 178.023 177.300 0.019 0.000 1.158 517 P CA 0.679 63.791 63.100 0.020 0.000 0.769 517 P CB 0.330 32.044 31.700 0.024 0.000 0.807 518 D N -0.637 119.768 120.400 0.008 0.000 2.183 518 D HA -0.079 4.560 4.640 -0.002 0.000 0.205 518 D C 1.719 178.014 176.300 -0.010 0.000 0.962 518 D CA 0.593 54.594 54.000 0.002 0.000 0.849 518 D CB -0.017 40.783 40.800 -0.000 0.000 0.978 518 D HN 0.012 nan 8.370 nan 0.000 0.488 519 L N 1.342 122.559 121.223 -0.011 0.000 2.093 519 L HA -0.041 4.298 4.340 -0.002 0.000 0.208 519 L C 2.628 179.473 176.870 -0.042 0.000 1.085 519 L CA 1.252 56.081 54.840 -0.019 0.000 0.755 519 L CB -0.464 41.595 42.059 0.000 0.000 0.904 519 L HN -0.125 nan 8.230 nan 0.000 0.435 520 R N -0.445 120.033 120.500 -0.038 0.000 2.080 520 R HA -0.206 4.132 4.340 -0.002 0.000 0.236 520 R C 1.987 178.270 176.300 -0.028 0.000 1.137 520 R CA 2.129 58.181 56.100 -0.081 0.000 0.943 520 R CB -0.400 29.879 30.300 -0.035 0.000 0.846 520 R HN 0.356 nan 8.270 nan 0.000 0.431 521 D N -0.340 120.095 120.400 0.058 0.000 2.126 521 D HA -0.179 4.460 4.640 -0.002 0.000 0.190 521 D C 2.049 178.365 176.300 0.026 0.000 1.001 521 D CA 1.506 55.566 54.000 0.099 0.000 0.841 521 D CB -0.050 40.782 40.800 0.052 0.000 0.949 521 D HN 0.219 nan 8.370 nan 0.000 0.446 522 R N -0.359 120.098 120.500 -0.072 0.000 2.115 522 R HA 0.027 4.366 4.340 -0.002 0.000 0.226 522 R C 2.348 178.449 176.300 -0.332 0.000 1.100 522 R CA 1.044 57.002 56.100 -0.236 0.000 0.980 522 R CB -0.361 29.797 30.300 -0.238 0.000 0.875 522 R HN 0.185 nan 8.270 nan 0.000 0.445 523 G N -0.078 108.626 108.800 -0.161 0.000 2.421 523 G HA2 -0.278 3.681 3.960 -0.002 0.000 0.216 523 G HA3 -0.278 3.681 3.960 -0.002 0.000 0.216 523 G C 1.139 176.062 174.900 0.038 0.000 1.171 523 G CA 0.614 45.654 45.100 -0.100 0.000 0.775 523 G HN 0.297 nan 8.290 nan 0.000 0.543 524 Y N 0.446 120.769 120.300 0.038 0.000 2.036 524 Y HA -0.164 4.385 4.550 -0.002 0.000 0.273 524 Y C 2.920 178.899 175.900 0.131 0.000 1.135 524 Y CA 0.896 59.074 58.100 0.128 0.000 1.106 524 Y CB -0.259 38.255 38.460 0.091 0.000 0.976 524 Y HN 0.056 nan 8.280 nan 0.000 0.483 525 I N -0.632 120.075 120.570 0.229 0.000 2.237 525 I HA -0.516 3.653 4.170 -0.002 0.000 0.245 525 I C 2.064 178.334 176.117 0.254 0.000 1.013 525 I CA 1.988 63.370 61.300 0.137 0.000 1.298 525 I CB -0.685 37.313 38.000 -0.003 0.000 0.995 525 I HN 0.377 nan 8.210 nan 0.000 0.422 526 Y N -1.705 118.695 120.300 0.166 0.000 2.109 526 Y HA -0.313 4.236 4.550 -0.002 0.000 0.285 526 Y C 2.498 178.534 175.900 0.226 0.000 1.131 526 Y CA 0.842 59.032 58.100 0.150 0.000 1.121 526 Y CB -0.588 37.934 38.460 0.103 0.000 0.987 526 Y HN 0.248 nan 8.280 nan 0.000 0.495 527 W N 1.885 123.308 121.300 0.205 0.000 2.308 527 W HA -0.213 4.445 4.660 -0.002 0.000 0.301 527 W C 1.765 178.343 176.519 0.098 0.000 1.220 527 W CA 1.392 58.807 57.345 0.118 0.000 1.240 527 W CB -0.509 29.029 29.460 0.130 0.000 1.142 527 W HN -0.028 nan 8.180 nan 0.000 0.521 528 R N -0.275 120.378 120.500 0.255 0.000 2.362 528 R HA -0.029 4.310 4.340 -0.002 0.000 0.204 528 R C 0.999 177.356 176.300 0.095 0.000 1.088 528 R CA 0.368 56.520 56.100 0.087 0.000 1.121 528 R CB -0.380 29.963 30.300 0.072 0.000 0.954 528 R HN 0.213 nan 8.270 nan 0.000 0.478 529 L N -2.172 119.133 121.223 0.138 0.000 2.678 529 L HA 0.110 4.449 4.340 -0.002 0.000 0.187 529 L C 1.531 178.450 176.870 0.082 0.000 1.073 529 L CA 0.431 55.334 54.840 0.105 0.000 0.883 529 L CB -0.198 41.941 42.059 0.134 0.000 1.501 529 L HN 0.040 nan 8.230 nan 0.000 0.488 530 L N -1.076 120.211 121.223 0.106 0.000 1.993 530 L HA -0.103 4.236 4.340 -0.002 0.000 0.206 530 L C 2.240 179.139 176.870 0.049 0.000 1.074 530 L CA 1.503 56.386 54.840 0.072 0.000 0.746 530 L CB -0.236 41.831 42.059 0.012 0.000 0.896 530 L HN 0.253 nan 8.230 nan 0.000 0.435 531 S N -1.288 114.459 115.700 0.077 0.000 2.584 531 S HA -0.113 4.356 4.470 -0.002 0.000 0.240 531 S C 1.393 175.950 174.600 -0.071 0.000 0.975 531 S CA 1.119 59.325 58.200 0.010 0.000 0.949 531 S CB -0.312 62.911 63.200 0.038 0.000 0.761 531 S HN 0.445 nan 8.310 nan 0.000 0.536 532 T N 1.342 115.871 114.554 -0.042 0.000 3.440 532 T HA 0.089 4.438 4.350 -0.002 0.000 0.209 532 T C -0.044 174.657 174.700 0.002 0.000 0.906 532 T CA 0.575 62.652 62.100 -0.038 0.000 1.757 532 T CB -0.266 68.583 68.868 -0.032 0.000 1.568 532 T HN 0.686 nan 8.240 nan 0.000 0.454 533 D N 1.374 121.786 120.400 0.021 0.000 2.425 533 D HA 0.379 5.018 4.640 -0.002 0.000 0.240 533 D C -2.447 173.882 176.300 0.048 0.000 1.080 533 D CA -1.984 52.034 54.000 0.029 0.000 0.836 533 D CB 1.668 42.479 40.800 0.019 0.000 1.125 533 D HN 0.041 nan 8.370 nan 0.000 0.525 534 P HA -0.064 nan 4.420 nan 0.000 0.230 534 P C 0.781 178.109 177.300 0.046 0.000 1.158 534 P CA 0.214 63.359 63.100 0.074 0.000 0.769 534 P CB 0.360 32.107 31.700 0.078 0.000 0.807 535 V N -1.179 118.754 119.914 0.031 0.000 2.690 535 V HA -0.059 4.060 4.120 -0.002 0.000 0.240 535 V C 2.047 178.152 176.094 0.019 0.000 1.078 535 V CA 1.841 64.153 62.300 0.019 0.000 1.102 535 V CB -1.509 30.322 31.823 0.013 0.000 0.800 535 V HN 0.074 nan 8.190 nan 0.000 0.479 536 T N 0.754 115.321 114.554 0.022 0.000 3.055 536 T HA 0.070 4.419 4.350 -0.002 0.000 0.265 536 T C 2.003 176.720 174.700 0.029 0.000 1.111 536 T CA 1.061 63.175 62.100 0.023 0.000 1.118 536 T CB -0.186 68.695 68.868 0.022 0.000 0.909 536 T HN 0.455 nan 8.240 nan 0.000 0.501 537 A N 2.437 125.277 122.820 0.033 0.000 1.883 537 A HA -0.151 4.168 4.320 -0.002 0.000 0.217 537 A C 2.276 179.869 177.584 0.016 0.000 1.186 537 A CA 1.913 53.969 52.037 0.032 0.000 0.624 537 A CB -0.653 18.369 19.000 0.037 0.000 0.822 537 A HN 0.468 nan 8.150 nan 0.000 0.444 538 K N -0.410 119.997 120.400 0.012 0.000 2.034 538 K HA -0.269 4.049 4.320 -0.002 0.000 0.214 538 K C 1.811 178.414 176.600 0.005 0.000 1.051 538 K CA 2.173 58.461 56.287 0.001 0.000 0.931 538 K CB -0.183 32.317 32.500 -0.000 0.000 0.715 538 K HN 0.491 nan 8.250 nan 0.000 0.446 539 E N -0.376 119.832 120.200 0.013 0.000 2.274 539 E HA -0.075 4.274 4.350 -0.002 0.000 0.194 539 E C 1.671 178.286 176.600 0.025 0.000 0.996 539 E CA 0.593 57.003 56.400 0.017 0.000 0.840 539 E CB 0.323 30.033 29.700 0.017 0.000 0.772 539 E HN 0.091 nan 8.360 nan 0.000 0.491 540 V N -0.504 119.430 119.914 0.033 0.000 2.992 540 V HA -0.058 4.061 4.120 -0.002 0.000 0.250 540 V C 1.709 177.835 176.094 0.054 0.000 1.090 540 V CA 0.690 63.019 62.300 0.049 0.000 1.101 540 V CB 0.403 32.264 31.823 0.064 0.000 0.743 540 V HN 0.119 nan 8.190 nan 0.000 0.468 541 V N -0.453 119.481 119.914 0.034 0.000 2.490 541 V HA 0.063 4.182 4.120 -0.002 0.000 0.238 541 V C 1.814 177.913 176.094 0.009 0.000 1.056 541 V CA 1.106 63.417 62.300 0.020 0.000 1.075 541 V CB -0.075 31.721 31.823 -0.044 0.000 0.746 541 V HN 0.360 nan 8.190 nan 0.000 0.479 542 L N 0.542 121.760 121.223 -0.008 0.000 2.591 542 L HA 0.171 4.510 4.340 -0.002 0.000 0.228 542 L C 1.268 178.137 176.870 -0.001 0.000 1.133 542 L CA 0.089 54.918 54.840 -0.018 0.000 0.880 542 L CB -0.337 41.701 42.059 -0.035 0.000 1.033 542 L HN 0.326 nan 8.230 nan 0.000 0.450 543 S N 1.525 117.233 115.700 0.014 0.000 2.711 543 S HA -0.126 4.343 4.470 -0.002 0.000 0.320 543 S C 0.658 175.274 174.600 0.026 0.000 1.240 543 S CA -0.175 58.038 58.200 0.022 0.000 1.034 543 S CB 0.182 63.401 63.200 0.031 0.000 0.741 543 S HN 0.252 nan 8.310 nan 0.000 0.496 544 E N 2.921 123.136 120.200 0.025 0.000 2.558 544 E HA 0.043 4.392 4.350 -0.002 0.000 0.255 544 E C 0.691 177.318 176.600 0.045 0.000 0.968 544 E CA 0.432 56.851 56.400 0.031 0.000 0.939 544 E CB 0.016 29.733 29.700 0.029 0.000 0.921 544 E HN 0.711 nan 8.360 nan 0.000 0.477 545 K N 5.103 125.540 120.400 0.060 0.000 2.412 545 K HA 0.159 4.477 4.320 -0.002 0.000 0.281 545 K C -2.006 174.628 176.600 0.056 0.000 1.027 545 K CA -1.180 55.150 56.287 0.071 0.000 0.989 545 K CB -0.651 31.915 32.500 0.109 0.000 0.935 545 K HN 0.313 nan 8.250 nan 0.000 0.475 546 P HA 0.188 nan 4.420 nan 0.000 0.272 546 P C -0.493 176.826 177.300 0.032 0.000 1.223 546 P CA -0.623 62.498 63.100 0.035 0.000 0.784 546 P CB 0.382 32.099 31.700 0.027 0.000 0.923 547 L N 2.031 123.270 121.223 0.027 0.000 2.628 547 L HA -0.019 4.319 4.340 -0.002 0.000 0.274 547 L C 1.028 177.896 176.870 -0.003 0.000 1.209 547 L CA 0.267 55.113 54.840 0.011 0.000 0.930 547 L CB -0.704 41.364 42.059 0.014 0.000 1.183 547 L HN 0.266 nan 8.230 nan 0.000 0.492 548 I N 1.855 122.412 120.570 -0.022 0.000 3.004 548 I HA 0.148 4.317 4.170 -0.002 0.000 0.287 548 I C 0.832 176.925 176.117 -0.040 0.000 1.144 548 I CA 0.353 61.635 61.300 -0.030 0.000 1.353 548 I CB 0.743 38.716 38.000 -0.045 0.000 1.417 548 I HN 0.621 nan 8.210 nan 0.000 0.602 549 S N 0.824 116.507 115.700 -0.028 0.000 2.753 549 S HA 0.491 4.960 4.470 -0.002 0.000 0.302 549 S C 0.175 174.759 174.600 -0.026 0.000 1.104 549 S CA -0.479 57.707 58.200 -0.024 0.000 0.968 549 S CB 1.121 64.318 63.200 -0.004 0.000 1.278 549 S HN 0.674 nan 8.310 nan 0.000 0.549 550 E N 0.445 120.637 120.200 -0.012 0.000 1.842 550 E HA 0.410 4.759 4.350 -0.002 0.000 0.278 550 E C 0.775 177.373 176.600 -0.004 0.000 1.171 550 E CA 0.308 56.703 56.400 -0.007 0.000 1.127 550 E CB -1.532 28.172 29.700 0.007 0.000 1.100 550 E HN 0.662 nan 8.360 nan 0.000 0.456 551 E N 0.483 120.677 120.200 -0.009 0.000 2.072 551 E HA -0.060 4.289 4.350 -0.002 0.000 0.191 551 E C 2.319 178.919 176.600 -0.001 0.000 0.985 551 E CA 2.071 58.468 56.400 -0.005 0.000 0.801 551 E CB -1.195 28.498 29.700 -0.010 0.000 0.750 551 E HN 0.841 nan 8.360 nan 0.000 0.452 552 T N 0.588 115.142 114.554 -0.000 0.000 2.849 552 T HA 0.285 4.634 4.350 -0.002 0.000 0.230 552 T C 1.777 176.484 174.700 0.012 0.000 1.071 552 T CA 1.793 63.896 62.100 0.005 0.000 1.559 552 T CB -1.204 67.667 68.868 0.004 0.000 1.141 552 T HN 0.728 nan 8.240 nan 0.000 0.417 553 D N 0.937 121.346 120.400 0.016 0.000 2.512 553 D HA 0.451 5.090 4.640 -0.002 0.000 0.283 553 D C -0.072 176.237 176.300 0.014 0.000 1.456 553 D CA 0.503 54.516 54.000 0.022 0.000 1.224 553 D CB -1.238 39.577 40.800 0.025 0.000 1.140 553 D HN 0.598 nan 8.370 nan 0.000 0.553 554 L N 1.206 122.437 121.223 0.013 0.000 2.830 554 L HA 0.406 4.745 4.340 -0.002 0.000 0.259 554 L C -1.070 175.801 176.870 0.002 0.000 0.926 554 L CA -0.748 54.093 54.840 0.002 0.000 0.993 554 L CB 1.851 43.911 42.059 0.002 0.000 1.589 554 L HN 0.515 nan 8.230 nan 0.000 0.460 555 I N 2.593 123.156 120.570 -0.011 0.000 2.664 555 I HA 0.284 4.453 4.170 -0.002 0.000 0.308 555 I C 0.342 176.454 176.117 -0.009 0.000 0.984 555 I CA -0.361 60.931 61.300 -0.012 0.000 1.213 555 I CB 1.499 39.473 38.000 -0.042 0.000 1.379 555 I HN 0.612 nan 8.210 nan 0.000 0.501 556 E N 7.092 127.292 120.200 -0.001 0.000 2.406 556 E HA 0.040 4.388 4.350 -0.002 0.000 0.258 556 E C -1.928 174.671 176.600 -0.003 0.000 1.043 556 E CA -1.295 55.106 56.400 0.002 0.000 0.929 556 E CB 1.102 30.806 29.700 0.008 0.000 0.969 556 E HN 0.364 nan 8.360 nan 0.000 0.462 557 P HA -0.148 nan 4.420 nan 0.000 0.221 557 P C 1.314 178.613 177.300 -0.001 0.000 1.145 557 P CA 1.330 64.427 63.100 -0.005 0.000 0.795 557 P CB 0.149 31.848 31.700 -0.002 0.000 0.775 558 T N -2.511 112.045 114.554 0.003 0.000 2.701 558 T HA -0.142 4.207 4.350 -0.002 0.000 0.263 558 T C 1.764 176.470 174.700 0.009 0.000 1.040 558 T CA 0.866 62.970 62.100 0.006 0.000 1.147 558 T CB -1.270 67.604 68.868 0.009 0.000 0.865 558 T HN -0.061 nan 8.240 nan 0.000 0.426 559 L N 0.779 122.008 121.223 0.010 0.000 2.046 559 L HA 0.155 4.494 4.340 -0.002 0.000 0.208 559 L C 2.431 179.306 176.870 0.008 0.000 1.077 559 L CA 1.305 56.155 54.840 0.016 0.000 0.747 559 L CB -1.043 41.027 42.059 0.018 0.000 0.896 559 L HN 0.304 nan 8.230 nan 0.000 0.432 560 L N -0.344 120.872 121.223 -0.011 0.000 2.034 560 L HA -0.318 4.020 4.340 -0.002 0.000 0.217 560 L C 2.130 178.989 176.870 -0.018 0.000 1.077 560 L CA 2.156 56.978 54.840 -0.030 0.000 0.769 560 L CB -1.158 40.880 42.059 -0.035 0.000 0.890 560 L HN 0.367 nan 8.230 nan 0.000 0.435 561 D N -0.596 119.799 120.400 -0.008 0.000 2.092 561 D HA -0.240 4.399 4.640 -0.002 0.000 0.193 561 D C 2.087 178.385 176.300 -0.003 0.000 0.994 561 D CA 1.612 55.607 54.000 -0.009 0.000 0.828 561 D CB -0.103 40.694 40.800 -0.004 0.000 0.963 561 D HN 0.594 nan 8.370 nan 0.000 0.450 562 E N 0.336 120.549 120.200 0.022 0.000 2.085 562 E HA -0.155 4.194 4.350 -0.002 0.000 0.194 562 E C 2.382 179.067 176.600 0.142 0.000 0.994 562 E CA 0.627 57.065 56.400 0.063 0.000 0.801 562 E CB -0.041 29.710 29.700 0.085 0.000 0.743 562 E HN 0.231 nan 8.360 nan 0.000 0.453 563 L N 0.698 121.989 121.223 0.113 0.000 2.109 563 L HA -0.153 4.186 4.340 -0.002 0.000 0.207 563 L C 2.498 179.412 176.870 0.072 0.000 1.086 563 L CA 0.410 55.328 54.840 0.131 0.000 0.760 563 L CB -0.339 41.746 42.059 0.044 0.000 0.910 563 L HN 0.269 nan 8.230 nan 0.000 0.437 564 I N -0.376 120.197 120.570 0.005 0.000 2.567 564 I HA -0.283 3.886 4.170 -0.002 0.000 0.257 564 I C 2.413 178.493 176.117 -0.061 0.000 1.184 564 I CA 1.130 62.411 61.300 -0.031 0.000 1.451 564 I CB -1.019 36.954 38.000 -0.045 0.000 1.089 564 I HN 0.415 nan 8.210 nan 0.000 0.441 565 C N -0.476 118.770 119.300 -0.091 0.000 2.472 565 C HA -0.097 4.362 4.460 -0.002 0.000 0.278 565 C C 2.078 176.892 174.990 -0.293 0.000 1.447 565 C CA 0.397 59.289 59.018 -0.209 0.000 1.773 565 C CB -1.539 26.034 27.740 -0.278 0.000 1.793 565 C HN 0.487 nan 8.230 nan 0.000 0.544 566 H N -1.021 118.035 119.070 -0.023 0.000 2.505 566 H HA 0.288 4.843 4.556 -0.002 0.000 0.286 566 H C 1.728 177.052 175.328 -0.008 0.000 1.072 566 H CA -0.244 55.799 56.048 -0.008 0.000 1.141 566 H CB 0.032 29.801 29.762 0.013 0.000 1.550 566 H HN 0.328 nan 8.280 nan 0.000 0.547 567 I N 0.399 120.995 120.570 0.044 0.000 2.161 567 I HA -0.372 3.797 4.170 -0.002 0.000 0.246 567 I C 2.595 178.729 176.117 0.029 0.000 1.048 567 I CA 1.836 63.149 61.300 0.021 0.000 1.314 567 I CB -0.183 37.803 38.000 -0.025 0.000 1.014 567 I HN 0.528 nan 8.210 nan 0.000 0.418 568 G N -0.206 108.611 108.800 0.028 0.000 2.408 568 G HA2 -0.170 3.788 3.960 -0.002 0.000 0.217 568 G HA3 -0.170 3.788 3.960 -0.002 0.000 0.217 568 G C 1.035 175.957 174.900 0.036 0.000 1.150 568 G CA 0.772 45.890 45.100 0.029 0.000 0.776 568 G HN 0.530 nan 8.290 nan 0.000 0.542 569 S N -0.460 115.278 115.700 0.063 0.000 2.598 569 S HA 0.363 4.832 4.470 -0.002 0.000 0.267 569 S C 1.393 175.983 174.600 -0.016 0.000 1.189 569 S CA -0.560 57.672 58.200 0.052 0.000 1.010 569 S CB 0.395 63.660 63.200 0.109 0.000 1.084 569 S HN -0.096 nan 8.310 nan 0.000 0.541 570 L N 1.034 122.230 121.223 -0.044 0.000 2.056 570 L HA 0.154 4.492 4.340 -0.002 0.000 0.207 570 L C 2.939 179.663 176.870 -0.243 0.000 1.078 570 L CA 2.010 56.696 54.840 -0.257 0.000 0.749 570 L CB -2.192 39.715 42.059 -0.252 0.000 0.901 570 L HN 0.921 nan 8.230 nan 0.000 0.433 571 A N -1.057 121.795 122.820 0.054 0.000 1.986 571 A HA -0.238 4.081 4.320 -0.002 0.000 0.220 571 A C 2.312 179.966 177.584 0.116 0.000 1.171 571 A CA 2.091 54.209 52.037 0.136 0.000 0.640 571 A CB -0.747 18.234 19.000 -0.031 0.000 0.811 571 A HN 0.550 nan 8.150 nan 0.000 0.451 572 S N -0.715 115.031 115.700 0.076 0.000 2.515 572 S HA 0.007 4.476 4.470 -0.002 0.000 0.231 572 S C 1.547 176.203 174.600 0.094 0.000 0.987 572 S CA 1.099 59.377 58.200 0.129 0.000 0.936 572 S CB -0.095 63.145 63.200 0.067 0.000 0.766 572 S HN 0.345 nan 8.310 nan 0.000 0.528 573 V N -0.077 119.772 119.914 -0.108 0.000 2.492 573 V HA 0.029 4.147 4.120 -0.002 0.000 0.241 573 V C 1.716 177.690 176.094 -0.200 0.000 1.041 573 V CA 0.951 63.098 62.300 -0.256 0.000 1.057 573 V CB -0.645 30.966 31.823 -0.353 0.000 0.711 573 V HN 0.391 nan 8.190 nan 0.000 0.468 574 Y N -0.143 120.095 120.300 -0.104 0.000 2.457 574 Y HA 0.134 4.683 4.550 -0.002 0.000 0.292 574 Y C 1.377 177.272 175.900 -0.009 0.000 1.125 574 Y CA -0.024 58.020 58.100 -0.093 0.000 1.254 574 Y CB -1.271 37.151 38.460 -0.063 0.000 1.012 574 Y HN 0.505 nan 8.280 nan 0.000 0.555 575 H N -0.525 118.639 119.070 0.158 0.000 2.756 575 H HA -0.182 4.373 4.556 -0.002 0.000 0.315 575 H C -0.347 175.057 175.328 0.126 0.000 1.210 575 H CA 0.383 56.495 56.048 0.107 0.000 1.150 575 H CB -1.472 28.333 29.762 0.072 0.000 1.463 575 H HN 0.290 nan 8.280 nan 0.000 0.427 576 K N 0.247 120.820 120.400 0.289 0.000 2.502 576 K HA 0.385 4.704 4.320 -0.002 0.000 0.257 576 K C -2.834 173.869 176.600 0.171 0.000 0.938 576 K CA -2.020 54.408 56.287 0.235 0.000 0.819 576 K CB 2.344 35.023 32.500 0.299 0.000 1.333 576 K HN -0.160 nan 8.250 nan 0.000 0.434 577 P HA 0.080 nan 4.420 nan 0.000 0.271 577 P C -2.123 175.046 177.300 -0.218 0.000 1.218 577 P CA -1.202 61.854 63.100 -0.073 0.000 0.780 577 P CB 0.211 31.883 31.700 -0.047 0.000 0.901 578 P HA -0.237 nan 4.420 nan 0.000 0.218 578 P C 0.838 177.651 177.300 -0.812 0.000 1.152 578 P CA 1.636 64.218 63.100 -0.864 0.000 0.857 578 P CB -0.272 31.113 31.700 -0.525 0.000 0.787 579 N N -0.966 117.506 118.700 -0.380 0.000 2.512 579 N HA -0.037 4.702 4.740 -0.002 0.000 0.183 579 N C 1.590 177.014 175.510 -0.144 0.000 1.073 579 N CA 0.887 53.801 53.050 -0.225 0.000 0.911 579 N CB -0.263 38.151 38.487 -0.122 0.000 0.964 579 N HN 0.131 nan 8.380 nan 0.000 0.447 580 A N 1.846 124.601 122.820 -0.109 0.000 1.908 580 A HA -0.138 4.181 4.320 -0.002 0.000 0.218 580 A C 0.877 178.568 177.584 0.178 0.000 1.181 580 A CA 1.080 53.166 52.037 0.080 0.000 0.627 580 A CB -0.688 18.454 19.000 0.236 0.000 0.818 580 A HN 0.394 nan 8.150 nan 0.000 0.445 581 F N -0.953 119.007 119.950 0.016 0.000 2.366 581 F HA 0.669 5.195 4.527 -0.002 0.000 0.357 581 F C -0.309 175.501 175.800 0.017 0.000 1.107 581 F CA -1.305 56.708 58.000 0.022 0.000 1.208 581 F CB -0.107 38.927 39.000 0.057 0.000 1.464 581 F HN -0.157 nan 8.300 nan 0.000 0.501 582 V N 0.000 119.910 119.914 -0.007 0.000 2.409 582 V HA 0.000 4.119 4.120 -0.002 0.000 0.244 582 V CA 0.000 62.275 62.300 -0.042 0.000 1.235 582 V CB 0.000 31.805 31.823 -0.031 0.000 1.184 582 V HN 0.000 nan 8.190 nan 0.000 0.556