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 3lcb_1_B DATA FIRST_RESID 5 DATA SEQUENCE LELLIAQTIL QGFDAQYGRF LEVTSGAQQR FEQADWHAVQ QAMKNRIHLY DATA SEQUENCE DHHVGLVVEQ LRCITNXXXX XXEFLLRVKE HYTRLLPDYP RFEIAESFFN DATA SEQUENCE SVYCRLFDHR SLTPERLFIF SSQPERRFRT IPRPLAKDFH PDHGWESLLM DATA SEQUENCE RVISDLPLRL HWQNKSRDIH YIIRHLTETL GPENLSKSHL QVANELFYRN DATA SEQUENCE KAAWLVGKLI TPSGTLPFLL PIHQTDDGEL FIDTCLTTTA EASIVFGFAR DATA SEQUENCE SYFMVYAPLP AALVEWLREI LPGKTTAELY MAIGCQKHAK TESYREYLVY DATA SEQUENCE LQGCNEQFIE APGIRGMVML VFTLPGFDRV FKVIKDKFAP QKEMSAAHVR DATA SEQUENCE ACYQLVKEHD RVGRMADTQE FENFVLEKRH ISPALMELLL QEAAEKITDL DATA SEQUENCE GEQIVIRHLY IERRMVPLNI WLEQVEGQQL RDAIEEYGNA IRQLAAANIF DATA SEQUENCE PGDMLFKNFG VTRHGRVVFY DYDEICYMTE VNFRDIPPPR YPEDELASEP DATA SEQUENCE WYSVSPGDVF PEEFRHWLCA DPRIGPLFEE MHADLFRADY WRALQNRIRE DATA SEQUENCE GHVEDVYAYR RRQRFSV 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 5 L HA 0.000 nan 4.340 nan 0.000 0.249 5 L C 0.000 176.984 176.870 0.191 0.000 1.165 5 L CA 0.000 54.913 54.840 0.122 0.000 0.813 5 L CB 0.000 42.132 42.059 0.121 0.000 0.961 6 E N 1.239 121.601 120.200 0.270 0.000 2.130 6 E HA -0.215 4.134 4.350 -0.001 0.000 0.196 6 E C 1.947 178.770 176.600 0.371 0.000 0.998 6 E CA 1.950 58.565 56.400 0.359 0.000 0.806 6 E CB -0.128 29.839 29.700 0.444 0.000 0.738 6 E HN 0.477 nan 8.360 nan 0.000 0.459 7 L N 1.047 122.380 121.223 0.184 0.000 2.017 7 L HA -0.162 4.177 4.340 -0.001 0.000 0.208 7 L C 2.142 179.062 176.870 0.084 0.000 1.073 7 L CA 1.594 56.418 54.840 -0.026 0.000 0.745 7 L CB -0.601 41.281 42.059 -0.295 0.000 0.894 7 L HN 0.317 nan 8.230 nan 0.000 0.432 8 L N -0.251 121.023 121.223 0.085 0.000 2.042 8 L HA -0.279 4.060 4.340 -0.001 0.000 0.210 8 L C 2.717 179.659 176.870 0.120 0.000 1.076 8 L CA 1.601 56.495 54.840 0.089 0.000 0.749 8 L CB -0.272 41.837 42.059 0.083 0.000 0.893 8 L HN 0.262 nan 8.230 nan 0.000 0.432 9 I N 0.506 121.165 120.570 0.149 0.000 2.163 9 I HA -0.247 3.922 4.170 -0.001 0.000 0.243 9 I C 2.823 179.049 176.117 0.181 0.000 1.085 9 I CA 1.578 62.966 61.300 0.146 0.000 1.347 9 I CB -0.955 37.129 38.000 0.140 0.000 1.044 9 I HN 0.235 nan 8.210 nan 0.000 0.408 10 A N -0.575 122.393 122.820 0.247 0.000 1.940 10 A HA -0.270 4.049 4.320 -0.001 0.000 0.219 10 A C 2.242 180.009 177.584 0.304 0.000 1.176 10 A CA 1.734 54.008 52.037 0.394 0.000 0.631 10 A CB -0.655 18.598 19.000 0.422 0.000 0.814 10 A HN 0.557 nan 8.150 nan 0.000 0.446 11 Q N -1.120 118.784 119.800 0.172 0.000 2.230 11 Q HA -0.074 4.265 4.340 -0.001 0.000 0.202 11 Q C 2.053 178.126 176.000 0.121 0.000 0.963 11 Q CA 1.573 57.441 55.803 0.109 0.000 0.866 11 Q CB -0.228 28.553 28.738 0.073 0.000 0.931 11 Q HN 0.677 nan 8.270 nan 0.000 0.452 12 T N 1.175 115.811 114.554 0.137 0.000 2.737 12 T HA -0.087 4.262 4.350 -0.001 0.000 0.265 12 T C 1.870 176.672 174.700 0.169 0.000 1.038 12 T CA 0.966 63.143 62.100 0.128 0.000 1.144 12 T CB -0.141 68.793 68.868 0.111 0.000 0.866 12 T HN 0.185 nan 8.240 nan 0.000 0.434 13 I N 0.680 121.387 120.570 0.227 0.000 2.179 13 I HA -0.122 4.047 4.170 -0.001 0.000 0.242 13 I C 2.310 178.633 176.117 0.343 0.000 1.088 13 I CA 0.874 62.376 61.300 0.337 0.000 1.357 13 I CB -0.398 37.777 38.000 0.292 0.000 1.051 13 I HN 0.135 nan 8.210 nan 0.000 0.409 14 L N 0.782 122.191 121.223 0.309 0.000 2.056 14 L HA -0.236 4.103 4.340 -0.001 0.000 0.207 14 L C 2.618 179.512 176.870 0.039 0.000 1.078 14 L CA 1.863 56.753 54.840 0.084 0.000 0.749 14 L CB -0.806 41.150 42.059 -0.171 0.000 0.901 14 L HN 0.331 nan 8.230 nan 0.000 0.433 15 Q N -0.863 118.971 119.800 0.056 0.000 2.096 15 Q HA -0.166 4.173 4.340 -0.001 0.000 0.204 15 Q C 2.088 178.066 176.000 -0.038 0.000 0.982 15 Q CA 1.950 57.771 55.803 0.030 0.000 0.850 15 Q CB -0.666 28.104 28.738 0.053 0.000 0.901 15 Q HN 0.535 nan 8.270 nan 0.000 0.422 16 G N 0.476 109.262 108.800 -0.023 0.000 2.476 16 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.218 16 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.218 16 G C 1.214 175.755 174.900 -0.597 0.000 1.164 16 G CA 0.847 45.889 45.100 -0.096 0.000 0.768 16 G HN 0.542 nan 8.290 nan 0.000 0.560 17 F N 1.554 120.845 119.950 -1.098 0.000 2.102 17 F HA -0.095 4.431 4.527 -0.001 0.000 0.298 17 F C 2.381 177.902 175.800 -0.464 0.000 1.105 17 F CA 1.879 59.182 58.000 -1.162 0.000 1.239 17 F CB -0.091 38.431 39.000 -0.798 0.000 0.991 17 F HN 0.065 nan 8.300 nan 0.000 0.474 18 D N 0.719 120.846 120.400 -0.455 0.000 2.149 18 D HA -0.256 4.383 4.640 -0.001 0.000 0.194 18 D C 2.296 178.393 176.300 -0.338 0.000 1.001 18 D CA 1.679 55.477 54.000 -0.337 0.000 0.849 18 D CB -0.445 40.324 40.800 -0.052 0.000 0.939 18 D HN 0.454 nan 8.370 nan 0.000 0.449 19 A N 0.752 123.388 122.820 -0.306 0.000 1.897 19 A HA -0.210 4.109 4.320 -0.001 0.000 0.215 19 A C 2.139 179.426 177.584 -0.496 0.000 1.181 19 A CA 2.024 53.902 52.037 -0.264 0.000 0.620 19 A CB -0.590 18.344 19.000 -0.110 0.000 0.821 19 A HN 0.274 nan 8.150 nan 0.000 0.443 20 Q N -1.415 117.918 119.800 -0.777 0.000 2.079 20 Q HA -0.200 4.139 4.340 -0.001 0.000 0.200 20 Q C 1.816 177.624 176.000 -0.320 0.000 0.974 20 Q CA 2.304 57.612 55.803 -0.825 0.000 0.840 20 Q CB -0.768 27.647 28.738 -0.538 0.000 0.898 20 Q HN 0.652 nan 8.270 nan 0.000 0.430 21 Y N 0.357 120.337 120.300 -0.533 0.000 2.457 21 Y HA 0.169 4.719 4.550 -0.001 0.000 0.292 21 Y C 2.072 177.878 175.900 -0.157 0.000 1.125 21 Y CA 1.019 58.907 58.100 -0.354 0.000 1.254 21 Y CB -0.267 37.811 38.460 -0.636 0.000 1.012 21 Y HN 0.310 nan 8.280 nan 0.000 0.555 22 G N 0.307 109.014 108.800 -0.154 0.000 2.421 22 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.216 22 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.216 22 G C 1.716 176.582 174.900 -0.057 0.000 1.171 22 G CA 0.609 45.656 45.100 -0.088 0.000 0.775 22 G HN 0.175 nan 8.290 nan 0.000 0.543 23 R N -0.224 120.247 120.500 -0.047 0.000 2.090 23 R HA 0.055 4.394 4.340 -0.001 0.000 0.228 23 R C 2.220 178.535 176.300 0.026 0.000 1.110 23 R CA 0.656 56.771 56.100 0.026 0.000 0.973 23 R CB -1.381 28.996 30.300 0.129 0.000 0.869 23 R HN 0.487 nan 8.270 nan 0.000 0.440 24 F N 1.667 121.517 119.950 -0.167 0.000 2.091 24 F HA -0.210 4.317 4.527 -0.001 0.000 0.299 24 F C 2.071 177.728 175.800 -0.239 0.000 1.103 24 F CA 1.503 59.377 58.000 -0.210 0.000 1.228 24 F CB -0.241 38.530 39.000 -0.381 0.000 0.984 24 F HN -0.106 nan 8.300 nan 0.000 0.477 25 L N 0.098 121.261 121.223 -0.100 0.000 2.046 25 L HA -0.210 4.129 4.340 -0.001 0.000 0.208 25 L C 2.472 179.395 176.870 0.089 0.000 1.077 25 L CA 1.687 56.505 54.840 -0.036 0.000 0.747 25 L CB -0.777 41.252 42.059 -0.050 0.000 0.896 25 L HN 0.215 nan 8.230 nan 0.000 0.432 26 E N -0.404 119.813 120.200 0.028 0.000 2.077 26 E HA -0.185 4.164 4.350 -0.001 0.000 0.193 26 E C 2.279 178.852 176.600 -0.046 0.000 0.989 26 E CA 1.246 57.652 56.400 0.009 0.000 0.800 26 E CB -0.156 29.545 29.700 0.001 0.000 0.746 26 E HN 0.299 nan 8.360 nan 0.000 0.452 27 V N 1.569 121.432 119.914 -0.084 0.000 2.407 27 V HA -0.214 3.905 4.120 -0.001 0.000 0.248 27 V C 2.244 178.248 176.094 -0.150 0.000 1.055 27 V CA 2.102 64.332 62.300 -0.117 0.000 1.049 27 V CB -0.638 31.108 31.823 -0.129 0.000 0.662 27 V HN 0.336 nan 8.190 nan 0.000 0.455 28 T N -0.098 114.347 114.554 -0.182 0.000 2.951 28 T HA -0.117 4.233 4.350 -0.001 0.000 0.268 28 T C 2.022 176.685 174.700 -0.061 0.000 1.073 28 T CA 1.408 63.428 62.100 -0.134 0.000 1.134 28 T CB -0.249 68.534 68.868 -0.142 0.000 0.884 28 T HN 0.709 nan 8.240 nan 0.000 0.479 29 S N 1.450 117.117 115.700 -0.055 0.000 2.453 29 S HA 0.046 4.516 4.470 -0.001 0.000 0.231 29 S C 2.382 176.868 174.600 -0.190 0.000 1.005 29 S CA 0.817 58.906 58.200 -0.186 0.000 0.949 29 S CB -0.926 62.129 63.200 -0.241 0.000 0.774 29 S HN 0.499 nan 8.310 nan 0.000 0.510 30 G N 1.437 110.145 108.800 -0.153 0.000 2.470 30 G HA2 0.091 4.050 3.960 -0.001 0.000 0.220 30 G HA3 0.091 4.050 3.960 -0.001 0.000 0.220 30 G C 1.583 176.363 174.900 -0.199 0.000 1.121 30 G CA 0.659 45.669 45.100 -0.150 0.000 0.766 30 G HN 0.742 nan 8.290 nan 0.000 0.553 31 A N 0.560 123.218 122.820 -0.271 0.000 1.873 31 A HA -0.222 4.097 4.320 -0.001 0.000 0.218 31 A C 2.267 179.480 177.584 -0.619 0.000 1.193 31 A CA 2.178 53.961 52.037 -0.423 0.000 0.629 31 A CB -0.655 18.033 19.000 -0.520 0.000 0.826 31 A HN 0.463 nan 8.150 nan 0.000 0.447 32 Q N -0.929 118.439 119.800 -0.719 0.000 2.061 32 Q HA -0.303 4.036 4.340 -0.001 0.000 0.204 32 Q C 2.326 178.256 176.000 -0.117 0.000 0.984 32 Q CA 2.111 57.651 55.803 -0.438 0.000 0.846 32 Q CB -0.205 28.426 28.738 -0.178 0.000 0.902 32 Q HN 0.825 nan 8.270 nan 0.000 0.421 33 Q N -0.169 119.546 119.800 -0.142 0.000 2.124 33 Q HA -0.180 4.159 4.340 -0.001 0.000 0.202 33 Q C 2.096 178.025 176.000 -0.119 0.000 0.977 33 Q CA 1.296 57.035 55.803 -0.106 0.000 0.850 33 Q CB 0.098 28.769 28.738 -0.112 0.000 0.901 33 Q HN 0.340 nan 8.270 nan 0.000 0.429 34 R N -0.601 119.825 120.500 -0.124 0.000 2.073 34 R HA -0.147 4.192 4.340 -0.001 0.000 0.234 34 R C 2.190 178.396 176.300 -0.157 0.000 1.134 34 R CA 1.487 57.507 56.100 -0.134 0.000 0.952 34 R CB -0.455 29.797 30.300 -0.080 0.000 0.850 34 R HN 0.302 nan 8.270 nan 0.000 0.433 35 F N 2.199 122.057 119.950 -0.153 0.000 2.134 35 F HA -0.152 4.374 4.527 -0.001 0.000 0.299 35 F C 1.991 177.717 175.800 -0.124 0.000 1.097 35 F CA 1.506 59.494 58.000 -0.020 0.000 1.264 35 F CB -0.018 39.113 39.000 0.219 0.000 1.001 35 F HN -0.027 nan 8.300 nan 0.000 0.479 36 E N -0.118 120.032 120.200 -0.082 0.000 2.031 36 E HA -0.276 4.073 4.350 -0.001 0.000 0.193 36 E C 2.103 178.518 176.600 -0.308 0.000 0.994 36 E CA 1.647 57.936 56.400 -0.185 0.000 0.800 36 E CB -0.319 29.341 29.700 -0.067 0.000 0.752 36 E HN 0.560 nan 8.360 nan 0.000 0.447 37 Q N -0.595 119.028 119.800 -0.294 0.000 2.500 37 Q HA 0.010 4.349 4.340 -0.001 0.000 0.213 37 Q C 0.644 176.346 176.000 -0.497 0.000 0.974 37 Q CA 0.470 56.080 55.803 -0.321 0.000 0.918 37 Q CB 0.176 28.760 28.738 -0.256 0.000 0.980 37 Q HN 0.340 nan 8.270 nan 0.000 0.505 38 A N 1.696 124.060 122.820 -0.759 0.000 2.832 38 A HA -0.197 4.122 4.320 -0.001 0.000 0.280 38 A C -0.029 176.599 177.584 -1.593 0.000 1.464 38 A CA 0.878 52.072 52.037 -1.405 0.000 0.804 38 A CB -1.765 16.742 19.000 -0.821 0.000 1.020 38 A HN 0.445 nan 8.150 nan 0.000 0.563 39 D N -0.707 119.101 120.400 -0.986 0.000 2.402 39 D HA 0.311 4.950 4.640 -0.001 0.000 0.235 39 D C 0.830 176.883 176.300 -0.412 0.000 1.226 39 D CA -0.264 53.373 54.000 -0.604 0.000 0.918 39 D CB -0.130 40.478 40.800 -0.321 0.000 1.043 39 D HN 0.598 nan 8.370 nan 0.000 0.506 40 W N 1.677 122.965 121.300 -0.020 0.000 3.047 40 W HA 0.001 4.660 4.660 -0.001 0.000 0.250 40 W C 1.518 178.132 176.519 0.158 0.000 1.314 40 W CA -0.505 56.868 57.345 0.047 0.000 1.540 40 W CB 0.226 29.703 29.460 0.027 0.000 1.127 40 W HN 0.473 nan 8.180 nan 0.000 0.679 41 H N -0.412 118.702 119.070 0.074 0.000 2.547 41 H HA 0.198 4.753 4.556 -0.001 0.000 0.272 41 H C 2.123 177.446 175.328 -0.009 0.000 0.971 41 H CA 1.086 57.144 56.048 0.017 0.000 1.245 41 H CB -0.479 29.276 29.762 -0.013 0.000 1.440 41 H HN 0.094 nan 8.280 nan 0.000 0.540 42 A N 0.168 123.046 122.820 0.097 0.000 1.975 42 A HA -0.004 4.316 4.320 -0.001 0.000 0.215 42 A C 2.389 179.991 177.584 0.031 0.000 1.170 42 A CA 0.895 52.949 52.037 0.027 0.000 0.656 42 A CB -0.504 18.482 19.000 -0.023 0.000 0.821 42 A HN 0.198 nan 8.150 nan 0.000 0.449 43 V N -0.004 119.961 119.914 0.084 0.000 2.407 43 V HA -0.311 3.808 4.120 -0.001 0.000 0.248 43 V C 2.585 178.717 176.094 0.063 0.000 1.055 43 V CA 2.315 64.685 62.300 0.117 0.000 1.049 43 V CB -0.814 31.183 31.823 0.291 0.000 0.662 43 V HN 0.632 nan 8.190 nan 0.000 0.455 44 Q N -1.186 118.637 119.800 0.039 0.000 2.137 44 Q HA -0.134 4.205 4.340 -0.001 0.000 0.198 44 Q C 2.471 178.434 176.000 -0.061 0.000 0.960 44 Q CA 0.942 56.717 55.803 -0.047 0.000 0.847 44 Q CB -0.095 28.573 28.738 -0.116 0.000 0.915 44 Q HN 0.542 nan 8.270 nan 0.000 0.448 45 Q N -0.235 119.543 119.800 -0.038 0.000 2.119 45 Q HA -0.113 4.226 4.340 -0.001 0.000 0.201 45 Q C 2.019 178.001 176.000 -0.030 0.000 0.972 45 Q CA 1.361 57.143 55.803 -0.035 0.000 0.847 45 Q CB -0.101 28.627 28.738 -0.016 0.000 0.903 45 Q HN 0.381 nan 8.270 nan 0.000 0.433 46 A N 0.605 123.412 122.820 -0.023 0.000 1.933 46 A HA -0.212 4.107 4.320 -0.001 0.000 0.218 46 A C 2.040 179.608 177.584 -0.028 0.000 1.175 46 A CA 1.693 53.714 52.037 -0.028 0.000 0.628 46 A CB -0.454 18.527 19.000 -0.032 0.000 0.814 46 A HN 0.347 nan 8.150 nan 0.000 0.444 47 M N 0.306 119.891 119.600 -0.026 0.000 2.108 47 M HA -0.129 4.350 4.480 -0.001 0.000 0.261 47 M C 1.704 177.985 176.300 -0.032 0.000 1.066 47 M CA 1.846 57.135 55.300 -0.019 0.000 1.107 47 M CB -0.509 32.063 32.600 -0.046 0.000 1.356 47 M HN 0.403 nan 8.290 nan 0.000 0.406 48 K N -0.896 119.460 120.400 -0.074 0.000 2.155 48 K HA -0.035 4.284 4.320 -0.001 0.000 0.203 48 K C 1.667 178.142 176.600 -0.208 0.000 1.052 48 K CA 1.144 57.340 56.287 -0.151 0.000 0.948 48 K CB -0.273 32.135 32.500 -0.153 0.000 0.728 48 K HN 0.338 nan 8.250 nan 0.000 0.448 49 N N 1.199 119.853 118.700 -0.078 0.000 2.171 49 N HA -0.082 4.657 4.740 -0.001 0.000 0.184 49 N C 1.597 177.147 175.510 0.066 0.000 1.021 49 N CA 0.789 53.844 53.050 0.008 0.000 0.854 49 N CB -0.123 38.381 38.487 0.029 0.000 0.994 49 N HN 0.107 nan 8.380 nan 0.000 0.426 50 R N 0.241 120.768 120.500 0.045 0.000 2.133 50 R HA -0.108 4.232 4.340 -0.001 0.000 0.247 50 R C 1.595 178.026 176.300 0.217 0.000 1.151 50 R CA 1.103 57.261 56.100 0.096 0.000 0.971 50 R CB -0.186 30.137 30.300 0.038 0.000 0.866 50 R HN 0.141 nan 8.270 nan 0.000 0.447 51 I N -1.079 119.587 120.570 0.159 0.000 2.233 51 I HA -0.203 3.966 4.170 -0.001 0.000 0.243 51 I C 1.837 178.126 176.117 0.287 0.000 1.093 51 I CA 1.490 62.906 61.300 0.194 0.000 1.380 51 I CB -0.419 37.638 38.000 0.096 0.000 1.067 51 I HN 0.213 nan 8.210 nan 0.000 0.413 52 H N -0.236 118.941 119.070 0.180 0.000 2.518 52 H HA -0.102 4.453 4.556 -0.001 0.000 0.289 52 H C 1.914 177.368 175.328 0.209 0.000 1.051 52 H CA 1.028 57.177 56.048 0.168 0.000 1.280 52 H CB 0.100 29.926 29.762 0.108 0.000 1.380 52 H HN 0.282 nan 8.280 nan 0.000 0.566 53 L N -2.405 119.037 121.223 0.365 0.000 2.168 53 L HA 0.003 4.342 4.340 -0.001 0.000 0.203 53 L C 2.172 179.367 176.870 0.541 0.000 1.078 53 L CA 1.092 56.151 54.840 0.365 0.000 0.780 53 L CB -1.293 40.955 42.059 0.315 0.000 0.939 53 L HN 0.018 nan 8.230 nan 0.000 0.451 54 Y N 1.907 122.456 120.300 0.416 0.000 2.053 54 Y HA -0.284 4.265 4.550 -0.001 0.000 0.277 54 Y C 2.199 178.320 175.900 0.368 0.000 1.159 54 Y CA 2.187 60.544 58.100 0.429 0.000 1.125 54 Y CB -0.512 38.151 38.460 0.338 0.000 0.969 54 Y HN 0.284 nan 8.280 nan 0.000 0.492 55 D N -1.518 119.225 120.400 0.570 0.000 2.310 55 D HA -0.188 4.451 4.640 -0.001 0.000 0.212 55 D C 1.976 178.413 176.300 0.229 0.000 0.965 55 D CA 1.160 55.381 54.000 0.367 0.000 0.879 55 D CB -0.378 40.607 40.800 0.308 0.000 0.921 55 D HN 0.602 nan 8.370 nan 0.000 0.510 56 H N 0.678 119.837 119.070 0.148 0.000 2.403 56 H HA -0.073 4.482 4.556 -0.001 0.000 0.298 56 H C 1.713 177.013 175.328 -0.047 0.000 1.059 56 H CA 1.086 57.138 56.048 0.006 0.000 1.363 56 H CB 0.250 29.973 29.762 -0.067 0.000 1.410 56 H HN 0.264 nan 8.280 nan 0.000 0.528 57 H N -0.194 119.010 119.070 0.224 0.000 2.403 57 H HA -0.041 4.515 4.556 -0.001 0.000 0.298 57 H C 2.619 178.044 175.328 0.162 0.000 1.059 57 H CA 1.123 57.300 56.048 0.215 0.000 1.363 57 H CB 0.214 30.157 29.762 0.302 0.000 1.410 57 H HN 0.191 nan 8.280 nan 0.000 0.528 58 V N 0.532 120.495 119.914 0.082 0.000 2.343 58 V HA -0.186 3.934 4.120 -0.001 0.000 0.247 58 V C 2.773 178.818 176.094 -0.081 0.000 1.051 58 V CA 1.816 64.005 62.300 -0.185 0.000 1.036 58 V CB -1.058 30.615 31.823 -0.251 0.000 0.654 58 V HN 0.502 nan 8.190 nan 0.000 0.451 59 G N -0.600 108.165 108.800 -0.058 0.000 2.446 59 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.217 59 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.217 59 G C 1.641 176.476 174.900 -0.110 0.000 1.168 59 G CA 1.014 46.061 45.100 -0.088 0.000 0.771 59 G HN 0.416 nan 8.290 nan 0.000 0.551 60 L N 0.427 121.557 121.223 -0.156 0.000 1.989 60 L HA -0.115 4.224 4.340 -0.001 0.000 0.211 60 L C 3.038 179.904 176.870 -0.008 0.000 1.071 60 L CA 1.327 56.098 54.840 -0.116 0.000 0.749 60 L CB -0.340 41.640 42.059 -0.130 0.000 0.890 60 L HN 0.160 nan 8.230 nan 0.000 0.431 61 V N -0.726 119.222 119.914 0.058 0.000 2.332 61 V HA -0.284 3.835 4.120 -0.001 0.000 0.248 61 V C 2.507 178.613 176.094 0.021 0.000 1.055 61 V CA 1.556 63.907 62.300 0.084 0.000 1.038 61 V CB -0.392 31.539 31.823 0.180 0.000 0.651 61 V HN 0.282 nan 8.190 nan 0.000 0.450 62 V N -0.361 119.541 119.914 -0.020 0.000 2.392 62 V HA -0.248 3.871 4.120 -0.001 0.000 0.249 62 V C 2.693 178.777 176.094 -0.016 0.000 1.059 62 V CA 2.071 64.350 62.300 -0.034 0.000 1.051 62 V CB -0.517 31.275 31.823 -0.051 0.000 0.658 62 V HN 0.524 nan 8.190 nan 0.000 0.455 63 E N -0.135 120.055 120.200 -0.018 0.000 2.072 63 E HA -0.185 4.164 4.350 -0.001 0.000 0.191 63 E C 2.343 178.946 176.600 0.005 0.000 0.985 63 E CA 1.267 57.660 56.400 -0.011 0.000 0.801 63 E CB -0.247 29.439 29.700 -0.024 0.000 0.750 63 E HN 0.713 nan 8.360 nan 0.000 0.452 64 Q N -0.008 119.801 119.800 0.015 0.000 2.096 64 Q HA -0.107 4.232 4.340 -0.001 0.000 0.204 64 Q C 2.447 178.469 176.000 0.036 0.000 0.982 64 Q CA 1.162 56.984 55.803 0.031 0.000 0.850 64 Q CB -0.156 28.610 28.738 0.047 0.000 0.901 64 Q HN 0.274 nan 8.270 nan 0.000 0.422 65 L N 0.194 121.436 121.223 0.033 0.000 2.156 65 L HA -0.104 4.235 4.340 -0.001 0.000 0.208 65 L C 2.655 179.550 176.870 0.040 0.000 1.095 65 L CA 0.602 55.467 54.840 0.041 0.000 0.770 65 L CB -0.395 41.679 42.059 0.026 0.000 0.914 65 L HN 0.175 nan 8.230 nan 0.000 0.439 66 R N 0.053 120.567 120.500 0.024 0.000 2.096 66 R HA -0.140 4.199 4.340 -0.001 0.000 0.235 66 R C 2.159 178.471 176.300 0.019 0.000 1.127 66 R CA 1.599 57.711 56.100 0.019 0.000 0.968 66 R CB -0.646 29.658 30.300 0.007 0.000 0.861 66 R HN 0.384 nan 8.270 nan 0.000 0.440 67 C N -0.157 119.155 119.300 0.020 0.000 2.468 67 C HA 0.111 4.571 4.460 -0.001 0.000 0.277 67 C C 2.571 177.576 174.990 0.025 0.000 1.400 67 C CA -0.008 59.022 59.018 0.019 0.000 1.770 67 C CB -0.717 27.033 27.740 0.018 0.000 1.905 67 C HN 0.410 nan 8.230 nan 0.000 0.519 68 I N 1.371 121.962 120.570 0.036 0.000 2.235 68 I HA -0.132 4.037 4.170 -0.001 0.000 0.241 68 I C 2.720 178.860 176.117 0.038 0.000 1.085 68 I CA 1.925 63.251 61.300 0.044 0.000 1.378 68 I CB -0.892 37.146 38.000 0.064 0.000 1.076 68 I HN 0.353 nan 8.210 nan 0.000 0.415 69 T N -1.273 113.308 114.554 0.044 0.000 2.684 69 T HA -0.136 4.213 4.350 -0.001 0.000 0.267 69 T C 0.898 175.598 174.700 0.000 0.000 1.036 69 T CA 0.779 62.895 62.100 0.025 0.000 1.148 69 T CB -0.963 67.929 68.868 0.039 0.000 0.863 69 T HN 0.423 nan 8.240 nan 0.000 0.436 78 F N 1.979 121.959 119.950 0.050 0.000 2.615 78 F HA 0.383 4.909 4.527 -0.001 0.000 0.297 78 F C 2.113 177.951 175.800 0.063 0.000 1.124 78 F CA 0.032 58.062 58.000 0.051 0.000 1.451 78 F CB 0.090 39.125 39.000 0.058 0.000 1.103 78 F HN 0.068 nan 8.300 nan 0.000 0.569 79 L N 0.653 121.623 121.223 -0.422 0.000 2.131 79 L HA -0.138 4.201 4.340 -0.001 0.000 0.210 79 L C 2.345 179.119 176.870 -0.159 0.000 1.092 79 L CA 1.109 55.697 54.840 -0.421 0.000 0.759 79 L CB -0.334 41.681 42.059 -0.073 0.000 0.903 79 L HN 0.406 nan 8.230 nan 0.000 0.435 80 L N -0.291 120.889 121.223 -0.072 0.000 2.083 80 L HA -0.236 4.103 4.340 -0.001 0.000 0.209 80 L C 2.793 179.592 176.870 -0.118 0.000 1.083 80 L CA 1.363 56.161 54.840 -0.070 0.000 0.752 80 L CB -0.158 41.885 42.059 -0.028 0.000 0.899 80 L HN 0.292 nan 8.230 nan 0.000 0.433 81 R N -1.629 118.788 120.500 -0.139 0.000 2.090 81 R HA -0.080 4.259 4.340 -0.001 0.000 0.228 81 R C 2.076 178.166 176.300 -0.349 0.000 1.110 81 R CA 0.979 56.926 56.100 -0.255 0.000 0.973 81 R CB -0.551 29.631 30.300 -0.197 0.000 0.869 81 R HN 0.160 nan 8.270 nan 0.000 0.440 82 V N 1.958 121.745 119.914 -0.213 0.000 2.343 82 V HA -0.273 3.846 4.120 -0.001 0.000 0.247 82 V C 2.442 178.622 176.094 0.142 0.000 1.051 82 V CA 1.765 64.035 62.300 -0.050 0.000 1.036 82 V CB -0.445 31.262 31.823 -0.195 0.000 0.654 82 V HN 0.298 nan 8.190 nan 0.000 0.451 83 K N -0.346 120.106 120.400 0.087 0.000 2.097 83 K HA -0.261 4.059 4.320 -0.001 0.000 0.206 83 K C 2.157 178.769 176.600 0.020 0.000 1.049 83 K CA 1.801 58.089 56.287 0.002 0.000 0.933 83 K CB -0.009 32.301 32.500 -0.316 0.000 0.717 83 K HN 0.401 nan 8.250 nan 0.000 0.442 84 E N 0.271 120.440 120.200 -0.051 0.000 2.047 84 E HA -0.146 4.204 4.350 -0.001 0.000 0.191 84 E C 1.589 178.241 176.600 0.087 0.000 0.987 84 E CA 1.706 58.085 56.400 -0.035 0.000 0.799 84 E CB -0.193 29.429 29.700 -0.130 0.000 0.752 84 E HN 0.486 nan 8.360 nan 0.000 0.449 85 H N -1.817 117.336 119.070 0.138 0.000 2.387 85 H HA -0.157 4.398 4.556 -0.001 0.000 0.299 85 H C 1.747 177.180 175.328 0.176 0.000 1.099 85 H CA 1.360 57.491 56.048 0.138 0.000 1.315 85 H CB -0.170 29.673 29.762 0.135 0.000 1.380 85 H HN 0.220 nan 8.280 nan 0.000 0.513 86 Y N 1.503 121.954 120.300 0.251 0.000 2.145 86 Y HA -0.261 4.288 4.550 -0.001 0.000 0.286 86 Y C 2.547 178.528 175.900 0.135 0.000 1.145 86 Y CA 1.874 60.108 58.100 0.224 0.000 1.148 86 Y CB -0.324 38.368 38.460 0.388 0.000 0.981 86 Y HN 0.088 nan 8.280 nan 0.000 0.507 87 T N -0.222 114.548 114.554 0.360 0.000 2.881 87 T HA -0.191 4.158 4.350 -0.001 0.000 0.270 87 T C 1.809 176.562 174.700 0.089 0.000 1.068 87 T CA 1.513 63.754 62.100 0.235 0.000 1.131 87 T CB -0.260 68.750 68.868 0.236 0.000 0.871 87 T HN 0.237 nan 8.240 nan 0.000 0.479 88 R N 0.139 120.697 120.500 0.097 0.000 2.240 88 R HA 0.237 4.577 4.340 -0.001 0.000 0.203 88 R C 1.740 178.054 176.300 0.022 0.000 1.011 88 R CA 0.376 56.513 56.100 0.063 0.000 1.007 88 R CB -0.155 30.209 30.300 0.107 0.000 0.911 88 R HN 0.365 nan 8.270 nan 0.000 0.468 89 L N -0.100 121.112 121.223 -0.018 0.000 2.509 89 L HA 0.042 4.381 4.340 -0.001 0.000 0.222 89 L C 1.540 178.379 176.870 -0.053 0.000 1.123 89 L CA 0.340 55.147 54.840 -0.056 0.000 0.856 89 L CB 0.086 42.059 42.059 -0.144 0.000 0.985 89 L HN 0.186 nan 8.230 nan 0.000 0.456 90 L N -0.487 120.684 121.223 -0.086 0.000 2.307 90 L HA 0.012 4.351 4.340 -0.001 0.000 0.211 90 L C -0.325 176.534 176.870 -0.018 0.000 1.099 90 L CA 0.370 55.171 54.840 -0.066 0.000 0.816 90 L CB -1.336 40.642 42.059 -0.135 0.000 0.952 90 L HN 0.141 nan 8.230 nan 0.000 0.455 91 P HA -0.234 nan 4.420 nan 0.000 0.216 91 P C 0.996 178.277 177.300 -0.032 0.000 1.154 91 P CA 1.648 64.694 63.100 -0.089 0.000 0.865 91 P CB 0.066 31.726 31.700 -0.067 0.000 0.789 92 D N -2.593 117.818 120.400 0.019 0.000 2.277 92 D HA -0.116 4.523 4.640 -0.001 0.000 0.208 92 D C 0.151 176.485 176.300 0.058 0.000 0.962 92 D CA 0.218 54.231 54.000 0.022 0.000 0.865 92 D CB -0.551 40.258 40.800 0.016 0.000 0.939 92 D HN 0.090 nan 8.370 nan 0.000 0.510 93 Y N 0.821 121.127 120.300 0.010 0.000 2.496 93 Y HA 0.159 4.708 4.550 -0.001 0.000 0.334 93 Y C -1.269 174.727 175.900 0.159 0.000 1.080 93 Y CA -1.552 56.585 58.100 0.061 0.000 1.355 93 Y CB 1.313 39.800 38.460 0.045 0.000 1.193 93 Y HN 0.030 nan 8.280 nan 0.000 0.523 94 P HA -0.061 nan 4.420 nan 0.000 0.221 94 P C 0.333 177.734 177.300 0.169 0.000 1.155 94 P CA 1.068 64.267 63.100 0.165 0.000 0.812 94 P CB 0.384 32.092 31.700 0.013 0.000 0.801 95 R N 0.119 120.738 120.500 0.198 0.000 3.541 95 R HA 0.187 4.526 4.340 -0.001 0.000 0.277 95 R C 1.302 177.578 176.300 -0.040 0.000 1.539 95 R CA -0.241 55.886 56.100 0.045 0.000 1.338 95 R CB -1.386 28.981 30.300 0.112 0.000 1.343 95 R HN 0.243 nan 8.270 nan 0.000 0.623 96 F N 0.181 120.149 119.950 0.029 0.000 2.171 96 F HA -0.148 4.378 4.527 -0.001 0.000 0.300 96 F C 1.973 177.616 175.800 -0.261 0.000 1.090 96 F CA 0.842 58.762 58.000 -0.134 0.000 1.293 96 F CB -0.251 38.718 39.000 -0.051 0.000 1.013 96 F HN 0.073 nan 8.300 nan 0.000 0.486 97 E N 2.476 122.212 120.200 -0.773 0.000 2.051 97 E HA -0.232 4.118 4.350 -0.001 0.000 0.192 97 E C 2.111 178.413 176.600 -0.497 0.000 0.991 97 E CA 2.104 58.210 56.400 -0.490 0.000 0.799 97 E CB -1.260 28.130 29.700 -0.518 0.000 0.748 97 E HN 0.639 nan 8.360 nan 0.000 0.449 98 I N 1.443 121.536 120.570 -0.795 0.000 2.439 98 I HA -0.090 4.079 4.170 -0.001 0.000 0.251 98 I C 2.744 178.393 176.117 -0.781 0.000 1.139 98 I CA 0.833 61.704 61.300 -0.715 0.000 1.438 98 I CB -0.519 37.155 38.000 -0.543 0.000 1.085 98 I HN 0.096 nan 8.210 nan 0.000 0.427 99 A N 0.942 123.029 122.820 -1.222 0.000 1.978 99 A HA -0.225 4.094 4.320 -0.001 0.000 0.220 99 A C 2.227 179.601 177.584 -0.351 0.000 1.170 99 A CA 1.735 53.042 52.037 -1.217 0.000 0.636 99 A CB -0.511 17.887 19.000 -1.003 0.000 0.810 99 A HN 0.469 nan 8.150 nan 0.000 0.448 100 E N -0.437 119.565 120.200 -0.331 0.000 2.107 100 E HA -0.074 4.276 4.350 -0.001 0.000 0.191 100 E C 2.272 178.844 176.600 -0.046 0.000 0.982 100 E CA 1.033 57.220 56.400 -0.356 0.000 0.809 100 E CB -0.082 29.329 29.700 -0.482 0.000 0.756 100 E HN 0.593 nan 8.360 nan 0.000 0.459 101 S N 0.794 116.521 115.700 0.044 0.000 2.368 101 S HA -0.143 4.327 4.470 -0.001 0.000 0.224 101 S C 1.627 176.359 174.600 0.221 0.000 1.029 101 S CA 0.775 59.073 58.200 0.163 0.000 0.988 101 S CB -0.320 63.036 63.200 0.261 0.000 0.838 101 S HN 0.268 nan 8.310 nan 0.000 0.462 102 F N 1.479 121.477 119.950 0.079 0.000 2.126 102 F HA -0.155 4.371 4.527 -0.001 0.000 0.299 102 F C 1.873 177.712 175.800 0.066 0.000 1.096 102 F CA 1.315 59.373 58.000 0.097 0.000 1.255 102 F CB -0.394 38.627 39.000 0.034 0.000 0.997 102 F HN 0.218 nan 8.300 nan 0.000 0.479 103 F N 1.265 121.246 119.950 0.052 0.000 2.065 103 F HA -0.313 4.213 4.527 -0.002 0.000 0.298 103 F C 2.175 177.903 175.800 -0.119 0.000 1.112 103 F CA 2.520 60.432 58.000 -0.147 0.000 1.212 103 F CB -0.809 37.979 39.000 -0.353 0.000 0.975 103 F HN -0.003 nan 8.300 nan 0.000 0.476 104 N N -0.611 118.262 118.700 0.288 0.000 2.104 104 N HA -0.199 4.541 4.740 -0.001 0.000 0.190 104 N C 1.829 177.326 175.510 -0.021 0.000 1.024 104 N CA 1.377 54.504 53.050 0.128 0.000 0.853 104 N CB -0.259 38.281 38.487 0.088 0.000 1.008 104 N HN 0.205 nan 8.380 nan 0.000 0.424 105 S N 0.332 116.001 115.700 -0.052 0.000 2.382 105 S HA -0.082 4.388 4.470 -0.001 0.000 0.228 105 S C 2.187 176.657 174.600 -0.216 0.000 1.027 105 S CA 0.715 58.853 58.200 -0.103 0.000 0.991 105 S CB -0.175 63.013 63.200 -0.019 0.000 0.823 105 S HN 0.121 nan 8.310 nan 0.000 0.469 106 V N 0.551 120.274 119.914 -0.318 0.000 2.307 106 V HA -0.174 3.945 4.120 -0.001 0.000 0.245 106 V C 1.891 177.810 176.094 -0.291 0.000 1.045 106 V CA 1.840 63.941 62.300 -0.333 0.000 1.024 106 V CB -0.762 30.826 31.823 -0.392 0.000 0.651 106 V HN 0.590 nan 8.190 nan 0.000 0.449 107 Y N 0.345 120.353 120.300 -0.487 0.000 2.128 107 Y HA -0.346 4.203 4.550 -0.001 0.000 0.284 107 Y C 2.629 178.202 175.900 -0.544 0.000 1.154 107 Y CA 2.261 60.001 58.100 -0.600 0.000 1.149 107 Y CB -0.499 37.632 38.460 -0.548 0.000 0.976 107 Y HN 0.257 nan 8.280 nan 0.000 0.505 108 C N 0.863 120.101 119.300 -0.104 0.000 2.422 108 C HA -0.142 4.318 4.460 -0.001 0.000 0.279 108 C C 2.760 177.481 174.990 -0.448 0.000 1.305 108 C CA 0.892 59.703 59.018 -0.346 0.000 1.757 108 C CB -1.174 26.194 27.740 -0.620 0.000 1.962 108 C HN 0.531 nan 8.230 nan 0.000 0.499 109 R N 0.446 120.770 120.500 -0.293 0.000 2.075 109 R HA 0.010 4.350 4.340 -0.001 0.000 0.232 109 R C 2.068 178.325 176.300 -0.071 0.000 1.126 109 R CA 1.177 57.189 56.100 -0.146 0.000 0.963 109 R CB -0.612 29.622 30.300 -0.111 0.000 0.858 109 R HN 0.543 nan 8.270 nan 0.000 0.435 110 L N -0.607 120.567 121.223 -0.082 0.000 2.141 110 L HA -0.108 4.231 4.340 -0.001 0.000 0.209 110 L C 1.488 178.488 176.870 0.217 0.000 1.094 110 L CA 0.906 55.774 54.840 0.047 0.000 0.763 110 L CB -0.208 41.876 42.059 0.042 0.000 0.908 110 L HN 0.046 nan 8.230 nan 0.000 0.437 111 F N -0.918 118.866 119.950 -0.276 0.000 2.727 111 F HA 0.100 4.626 4.527 -0.001 0.000 0.302 111 F C 0.683 176.421 175.800 -0.103 0.000 1.097 111 F CA -0.767 57.093 58.000 -0.234 0.000 1.330 111 F CB -0.616 38.161 39.000 -0.372 0.000 1.084 111 F HN 0.016 nan 8.300 nan 0.000 0.578 112 D N 1.165 121.626 120.400 0.101 0.000 2.708 112 D HA -0.276 4.363 4.640 -0.001 0.000 0.236 112 D C -0.017 176.426 176.300 0.237 0.000 1.146 112 D CA 0.849 54.931 54.000 0.138 0.000 0.662 112 D CB -1.509 39.347 40.800 0.093 0.000 1.059 112 D HN 0.554 nan 8.370 nan 0.000 0.428 113 H N -2.202 116.936 119.070 0.113 0.000 2.770 113 H HA -0.214 4.342 4.556 -0.001 0.000 0.309 113 H C 0.605 176.012 175.328 0.132 0.000 1.206 113 H CA 1.286 57.402 56.048 0.115 0.000 1.147 113 H CB -1.007 28.799 29.762 0.073 0.000 1.422 113 H HN 0.423 nan 8.280 nan 0.000 0.420 114 R N -0.433 120.217 120.500 0.250 0.000 2.750 114 R HA 0.310 4.649 4.340 -0.001 0.000 0.281 114 R C 0.289 176.761 176.300 0.286 0.000 0.972 114 R CA -0.376 55.848 56.100 0.207 0.000 0.912 114 R CB 1.748 32.122 30.300 0.123 0.000 1.187 114 R HN 0.227 nan 8.270 nan 0.000 0.464 115 S N 1.155 116.979 115.700 0.205 0.000 3.711 115 S HA -0.155 4.315 4.470 -0.001 0.000 0.374 115 S C -0.224 174.564 174.600 0.313 0.000 0.969 115 S CA 0.425 58.757 58.200 0.220 0.000 1.198 115 S CB -1.616 61.700 63.200 0.193 0.000 0.903 115 S HN 0.513 nan 8.310 nan 0.000 0.493 116 L N 0.244 121.591 121.223 0.207 0.000 2.272 116 L HA 0.744 5.083 4.340 -0.001 0.000 0.284 116 L C 0.473 177.343 176.870 0.000 0.000 1.045 116 L CA -0.573 54.318 54.840 0.086 0.000 0.842 116 L CB 0.893 42.946 42.059 -0.009 0.000 1.224 116 L HN 0.268 nan 8.230 nan 0.000 0.430 117 T N -0.824 113.724 114.554 -0.010 0.000 2.945 117 T HA 0.539 4.888 4.350 -0.001 0.000 0.286 117 T C -1.698 172.954 174.700 -0.080 0.000 1.025 117 T CA -2.040 60.052 62.100 -0.013 0.000 1.039 117 T CB 1.785 70.667 68.868 0.024 0.000 1.068 117 T HN 0.372 nan 8.240 nan 0.000 0.497 118 P HA -0.068 nan 4.420 nan 0.000 0.221 118 P C 0.734 177.968 177.300 -0.110 0.000 1.145 118 P CA 1.050 64.129 63.100 -0.034 0.000 0.795 118 P CB 0.147 31.921 31.700 0.123 0.000 0.775 119 E N -0.594 119.552 120.200 -0.090 0.000 2.299 119 E HA -0.016 4.333 4.350 -0.001 0.000 0.193 119 E C 2.116 178.618 176.600 -0.165 0.000 0.998 119 E CA 0.692 57.025 56.400 -0.112 0.000 0.851 119 E CB -0.240 29.432 29.700 -0.048 0.000 0.795 119 E HN 0.283 nan 8.360 nan 0.000 0.492 120 R N -0.390 120.006 120.500 -0.172 0.000 2.175 120 R HA 0.220 4.559 4.340 -0.001 0.000 0.202 120 R C 0.070 176.105 176.300 -0.441 0.000 1.018 120 R CA 0.306 56.315 56.100 -0.152 0.000 1.029 120 R CB 0.142 30.480 30.300 0.063 0.000 0.959 120 R HN 0.060 nan 8.270 nan 0.000 0.480 121 L N -4.777 116.078 121.223 -0.613 0.000 2.397 121 L HA 0.491 4.830 4.340 -0.001 0.000 0.251 121 L C -0.580 175.949 176.870 -0.568 0.000 1.064 121 L CA -0.953 53.480 54.840 -0.678 0.000 0.859 121 L CB 0.335 41.894 42.059 -0.833 0.000 1.468 121 L HN -0.232 nan 8.230 nan 0.000 0.411 122 F N 1.765 121.518 119.950 -0.327 0.000 2.705 122 F HA 0.299 4.826 4.527 -0.001 0.000 0.355 122 F C 1.759 177.482 175.800 -0.127 0.000 1.172 122 F CA 0.036 57.912 58.000 -0.208 0.000 1.332 122 F CB -0.395 38.477 39.000 -0.212 0.000 1.621 122 F HN 0.605 nan 8.300 nan 0.000 0.605 123 I N -1.966 118.569 120.570 -0.059 0.000 2.454 123 I HA -0.122 4.047 4.170 -0.001 0.000 0.254 123 I C -0.092 175.832 176.117 -0.322 0.000 1.156 123 I CA 1.415 62.627 61.300 -0.146 0.000 1.433 123 I CB -0.102 37.789 38.000 -0.183 0.000 1.082 123 I HN -0.086 nan 8.210 nan 0.000 0.432 124 F N 0.869 120.874 119.950 0.091 0.000 2.532 124 F HA 0.448 4.974 4.527 -0.002 0.000 0.321 124 F C 0.647 176.540 175.800 0.155 0.000 1.089 124 F CA -1.107 56.950 58.000 0.095 0.000 0.926 124 F CB 1.567 40.598 39.000 0.051 0.000 1.168 124 F HN -0.232 nan 8.300 nan 0.000 0.459 125 S N 0.816 116.738 115.700 0.369 0.000 2.525 125 S HA 0.073 4.542 4.470 -0.001 0.000 0.285 125 S C 1.029 175.793 174.600 0.274 0.000 1.283 125 S CA 0.095 58.476 58.200 0.302 0.000 1.072 125 S CB 0.247 63.617 63.200 0.284 0.000 0.867 125 S HN 0.768 nan 8.310 nan 0.000 0.492 126 S N 3.283 119.152 115.700 0.282 0.000 2.631 126 S HA 0.219 4.688 4.470 -0.001 0.000 0.217 126 S C 0.283 174.934 174.600 0.085 0.000 0.958 126 S CA -0.307 58.017 58.200 0.206 0.000 0.920 126 S CB -0.064 63.329 63.200 0.322 0.000 0.776 126 S HN 0.775 nan 8.310 nan 0.000 0.517 127 Q N 1.307 121.140 119.800 0.055 0.000 2.377 127 Q HA 0.559 4.898 4.340 -0.001 0.000 0.271 127 Q C -2.854 173.152 176.000 0.009 0.000 1.077 127 Q CA -2.351 53.393 55.803 -0.098 0.000 0.820 127 Q CB 1.522 29.950 28.738 -0.517 0.000 1.347 127 Q HN 0.079 nan 8.270 nan 0.000 0.444 128 P HA -0.120 nan 4.420 nan 0.000 0.266 128 P C -0.716 176.695 177.300 0.183 0.000 1.180 128 P CA 0.383 63.541 63.100 0.097 0.000 0.765 128 P CB 0.471 32.238 31.700 0.112 0.000 0.806 129 E N 2.195 122.467 120.200 0.120 0.000 2.425 129 E HA -0.031 4.318 4.350 -0.001 0.000 0.258 129 E C 1.330 177.811 176.600 -0.198 0.000 1.151 129 E CA -0.007 56.419 56.400 0.044 0.000 0.958 129 E CB 0.433 30.139 29.700 0.010 0.000 0.968 129 E HN 0.258 nan 8.360 nan 0.000 0.451 130 R N 0.789 121.088 120.500 -0.335 0.000 2.200 130 R HA 0.033 4.372 4.340 -0.001 0.000 0.208 130 R C 0.252 175.876 176.300 -1.125 0.000 1.033 130 R CA 0.315 55.931 56.100 -0.805 0.000 1.000 130 R CB 0.053 30.176 30.300 -0.296 0.000 0.906 130 R HN 0.242 nan 8.270 nan 0.000 0.462 131 R N 1.082 121.255 120.500 -0.545 0.000 2.457 131 R HA 0.072 4.411 4.340 -0.001 0.000 0.335 131 R C -0.064 176.158 176.300 -0.129 0.000 1.003 131 R CA 0.573 56.519 56.100 -0.257 0.000 1.003 131 R CB -0.666 29.580 30.300 -0.091 0.000 0.950 131 R HN 0.034 nan 8.270 nan 0.000 0.428 132 F N 1.733 121.726 119.950 0.072 0.000 2.613 132 F HA 0.328 4.854 4.527 -0.001 0.000 0.342 132 F C 1.945 177.779 175.800 0.056 0.000 1.066 132 F CA -1.335 56.705 58.000 0.067 0.000 1.002 132 F CB 1.161 40.209 39.000 0.080 0.000 1.319 132 F HN 0.283 nan 8.300 nan 0.000 0.495 133 R N 0.101 120.769 120.500 0.280 0.000 2.062 133 R HA 0.067 4.406 4.340 -0.001 0.000 0.231 133 R C -0.273 176.094 176.300 0.111 0.000 1.136 133 R CA 1.163 57.342 56.100 0.133 0.000 0.948 133 R CB -1.028 29.304 30.300 0.054 0.000 0.845 133 R HN 0.564 nan 8.270 nan 0.000 0.430 134 T N 1.030 115.644 114.554 0.100 0.000 3.159 134 T HA 0.352 4.701 4.350 -0.001 0.000 0.343 134 T C -1.159 173.591 174.700 0.083 0.000 1.364 134 T CA -0.715 61.434 62.100 0.083 0.000 1.102 134 T CB 1.978 70.874 68.868 0.047 0.000 1.263 134 T HN 0.260 nan 8.240 nan 0.000 0.477 135 I N 4.858 125.485 120.570 0.094 0.000 2.441 135 I HA 0.395 4.564 4.170 -0.001 0.000 0.287 135 I C -1.354 174.793 176.117 0.050 0.000 1.049 135 I CA -1.622 59.730 61.300 0.086 0.000 1.381 135 I CB 1.109 39.167 38.000 0.096 0.000 1.409 135 I HN 0.412 nan 8.210 nan 0.000 0.523 136 P HA -0.166 nan 4.420 nan 0.000 0.217 136 P C -0.683 176.627 177.300 0.017 0.000 1.158 136 P CA 1.698 64.808 63.100 0.017 0.000 0.887 136 P CB 0.055 31.762 31.700 0.011 0.000 0.792 137 R N -1.756 118.756 120.500 0.020 0.000 2.604 137 R HA 0.437 4.776 4.340 -0.001 0.000 0.281 137 R C -2.806 173.503 176.300 0.015 0.000 1.020 137 R CA -2.114 53.997 56.100 0.017 0.000 0.899 137 R CB 0.834 31.144 30.300 0.017 0.000 1.205 137 R HN -0.128 nan 8.270 nan 0.000 0.450 138 P HA 0.010 nan 4.420 nan 0.000 0.264 138 P C 0.093 177.374 177.300 -0.031 0.000 1.183 138 P CA 0.061 63.163 63.100 0.003 0.000 0.763 138 P CB 0.633 32.339 31.700 0.010 0.000 0.807 139 L N 1.104 122.275 121.223 -0.087 0.000 2.375 139 L HA 0.256 4.595 4.340 -0.001 0.000 0.215 139 L C 1.083 177.799 176.870 -0.257 0.000 1.108 139 L CA 0.578 55.304 54.840 -0.189 0.000 0.830 139 L CB -0.186 41.686 42.059 -0.312 0.000 0.959 139 L HN 0.390 nan 8.230 nan 0.000 0.457 140 A N -0.530 122.181 122.820 -0.183 0.000 2.527 140 A HA 0.642 4.961 4.320 -0.001 0.000 0.293 140 A C -1.098 176.513 177.584 0.045 0.000 1.117 140 A CA -0.578 51.401 52.037 -0.096 0.000 0.723 140 A CB 1.651 20.578 19.000 -0.121 0.000 1.313 140 A HN -0.064 nan 8.150 nan 0.000 0.411 141 K N 0.831 121.315 120.400 0.140 0.000 2.345 141 K HA 0.441 4.760 4.320 -0.001 0.000 0.255 141 K C -1.377 175.302 176.600 0.131 0.000 0.934 141 K CA -0.486 55.854 56.287 0.089 0.000 0.801 141 K CB 1.186 33.731 32.500 0.074 0.000 1.137 141 K HN 0.790 nan 8.250 nan 0.000 0.424 142 D N 1.848 122.243 120.400 -0.009 0.000 2.372 142 D HA 0.208 4.848 4.640 -0.001 0.000 0.243 142 D C -1.073 175.098 176.300 -0.216 0.000 1.121 142 D CA 0.632 54.651 54.000 0.032 0.000 0.898 142 D CB 0.483 41.329 40.800 0.077 0.000 1.202 142 D HN 0.226 nan 8.370 nan 0.000 0.428 143 F N 1.274 121.170 119.950 -0.090 0.000 2.671 143 F HA 0.236 4.762 4.527 -0.001 0.000 0.332 143 F C -0.108 175.509 175.800 -0.305 0.000 1.189 143 F CA -0.836 57.080 58.000 -0.140 0.000 0.988 143 F CB 1.319 40.241 39.000 -0.130 0.000 1.258 143 F HN 0.275 nan 8.300 nan 0.000 0.471 144 H N 4.046 123.097 119.070 -0.032 0.000 2.472 144 H HA 0.285 4.840 4.556 -0.001 0.000 0.338 144 H C -1.892 173.271 175.328 -0.276 0.000 1.133 144 H CA -1.732 54.224 56.048 -0.152 0.000 1.216 144 H CB 2.224 31.877 29.762 -0.181 0.000 1.497 144 H HN 0.304 nan 8.280 nan 0.000 0.500 145 P HA -0.013 nan 4.420 nan 0.000 0.253 145 P C -0.576 176.572 177.300 -0.254 0.000 1.260 145 P CA -0.180 62.571 63.100 -0.582 0.000 0.800 145 P CB -0.275 30.710 31.700 -1.193 0.000 1.162 146 D N 0.600 120.913 120.400 -0.145 0.000 2.520 146 D HA -0.126 4.513 4.640 -0.001 0.000 0.243 146 D C 0.084 176.343 176.300 -0.069 0.000 1.160 146 D CA 0.309 54.225 54.000 -0.139 0.000 0.877 146 D CB -0.818 39.886 40.800 -0.160 0.000 1.150 146 D HN 0.129 nan 8.370 nan 0.000 0.494 147 H N 1.340 120.385 119.070 -0.042 0.000 2.882 147 H HA 0.022 4.578 4.556 -0.001 0.000 0.340 147 H C 0.857 176.168 175.328 -0.028 0.000 1.195 147 H CA 1.041 57.074 56.048 -0.026 0.000 1.152 147 H CB -1.510 28.238 29.762 -0.023 0.000 1.590 147 H HN 1.387 nan 8.280 nan 0.000 0.421 148 G N -0.519 108.342 108.800 0.102 0.000 3.322 148 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.686 148 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.686 148 G C 0.532 175.457 174.900 0.042 0.000 1.015 148 G CA 0.075 45.228 45.100 0.089 0.000 0.826 148 G HN 0.423 nan 8.290 nan 0.000 0.538 149 W N 0.481 121.806 121.300 0.042 0.000 2.453 149 W HA 0.132 4.792 4.660 -0.001 0.000 0.289 149 W C 2.435 178.964 176.519 0.017 0.000 1.215 149 W CA 1.241 58.605 57.345 0.032 0.000 1.297 149 W CB 0.266 29.742 29.460 0.027 0.000 1.113 149 W HN 0.764 nan 8.180 nan 0.000 0.551 150 E N -0.672 119.675 120.200 0.245 0.000 2.418 150 E HA -0.082 4.267 4.350 -0.001 0.000 0.197 150 E C 1.067 177.715 176.600 0.080 0.000 1.026 150 E CA 0.889 57.363 56.400 0.124 0.000 0.862 150 E CB -0.110 29.626 29.700 0.059 0.000 0.799 150 E HN 0.084 nan 8.360 nan 0.000 0.518 151 S N 0.416 116.163 115.700 0.077 0.000 2.664 151 S HA 0.129 4.598 4.470 -0.001 0.000 0.245 151 S C 0.848 175.461 174.600 0.020 0.000 1.019 151 S CA -0.230 57.994 58.200 0.041 0.000 0.996 151 S CB 0.438 63.659 63.200 0.036 0.000 0.878 151 S HN 0.072 nan 8.310 nan 0.000 0.493 152 L N 0.352 121.582 121.223 0.012 0.000 2.577 152 L HA 0.497 4.836 4.340 -0.001 0.000 0.225 152 L C 1.278 178.145 176.870 -0.006 0.000 1.053 152 L CA 1.154 55.971 54.840 -0.039 0.000 0.866 152 L CB -0.142 41.738 42.059 -0.298 0.000 1.132 152 L HN 0.236 nan 8.230 nan 0.000 0.486 153 L N -1.254 119.996 121.223 0.044 0.000 2.209 153 L HA 0.010 4.349 4.340 -0.001 0.000 0.207 153 L C 2.390 179.238 176.870 -0.037 0.000 1.094 153 L CA 0.512 55.363 54.840 0.018 0.000 0.790 153 L CB -0.575 41.555 42.059 0.119 0.000 0.932 153 L HN 0.195 nan 8.230 nan 0.000 0.447 154 M N 0.632 120.215 119.600 -0.029 0.000 2.267 154 M HA -0.125 4.354 4.480 -0.001 0.000 0.263 154 M C 1.828 178.099 176.300 -0.049 0.000 1.063 154 M CA 1.463 56.722 55.300 -0.069 0.000 1.090 154 M CB -0.522 32.051 32.600 -0.045 0.000 1.392 154 M HN 0.334 nan 8.290 nan 0.000 0.422 155 R N 0.117 120.618 120.500 0.002 0.000 2.334 155 R HA 0.096 4.435 4.340 -0.001 0.000 0.220 155 R C 1.438 177.783 176.300 0.074 0.000 0.917 155 R CA 0.615 56.760 56.100 0.074 0.000 1.073 155 R CB -1.661 28.724 30.300 0.140 0.000 1.056 155 R HN 0.428 nan 8.270 nan 0.000 0.506 156 V N -3.134 116.716 119.914 -0.107 0.000 3.621 156 V HA 0.299 4.418 4.120 -0.001 0.000 0.263 156 V C 1.606 177.643 176.094 -0.095 0.000 1.272 156 V CA 0.195 62.350 62.300 -0.242 0.000 1.080 156 V CB -0.160 31.378 31.823 -0.476 0.000 0.816 156 V HN 0.058 nan 8.190 nan 0.000 0.451 157 I N 1.732 122.236 120.570 -0.111 0.000 2.556 157 I HA -0.032 4.138 4.170 -0.001 0.000 0.251 157 I C 2.821 178.867 176.117 -0.117 0.000 1.105 157 I CA 1.341 62.530 61.300 -0.185 0.000 1.436 157 I CB -0.074 37.639 38.000 -0.478 0.000 1.139 157 I HN 0.432 nan 8.210 nan 0.000 0.438 158 S N 1.086 116.725 115.700 -0.101 0.000 2.400 158 S HA -0.216 4.253 4.470 -0.001 0.000 0.232 158 S C 1.538 176.174 174.600 0.060 0.000 1.025 158 S CA 1.493 59.681 58.200 -0.019 0.000 0.993 158 S CB -0.692 62.502 63.200 -0.012 0.000 0.808 158 S HN 0.533 nan 8.310 nan 0.000 0.478 159 D N 1.003 121.447 120.400 0.072 0.000 2.312 159 D HA 0.017 4.656 4.640 -0.001 0.000 0.211 159 D C 0.411 176.782 176.300 0.119 0.000 0.964 159 D CA -0.033 54.031 54.000 0.106 0.000 0.877 159 D CB -0.577 40.312 40.800 0.149 0.000 0.924 159 D HN 0.282 nan 8.370 nan 0.000 0.515 160 L N 2.890 124.195 121.223 0.137 0.000 2.540 160 L HA 0.055 4.394 4.340 -0.001 0.000 0.276 160 L C -1.073 175.900 176.870 0.173 0.000 1.212 160 L CA -1.106 53.839 54.840 0.175 0.000 0.893 160 L CB 0.118 42.339 42.059 0.270 0.000 1.138 160 L HN -0.077 nan 8.230 nan 0.000 0.491 161 P HA -0.070 nan 4.420 nan 0.000 0.239 161 P C 0.282 177.650 177.300 0.114 0.000 1.184 161 P CA 0.370 63.534 63.100 0.107 0.000 0.760 161 P CB 0.174 31.922 31.700 0.081 0.000 0.884 162 L N 0.655 121.971 121.223 0.156 0.000 2.462 162 L HA 0.119 4.458 4.340 -0.001 0.000 0.272 162 L C 1.344 178.264 176.870 0.083 0.000 1.166 162 L CA -0.040 54.880 54.840 0.135 0.000 0.880 162 L CB 0.208 42.356 42.059 0.148 0.000 1.142 162 L HN -0.218 nan 8.230 nan 0.000 0.473 163 R N 4.846 125.362 120.500 0.026 0.000 4.394 163 R HA 0.426 4.765 4.340 -0.001 0.000 0.257 163 R C -0.923 175.308 176.300 -0.115 0.000 1.727 163 R CA -0.032 56.048 56.100 -0.034 0.000 1.497 163 R CB -0.108 30.169 30.300 -0.038 0.000 1.406 163 R HN 0.502 nan 8.270 nan 0.000 0.745 164 L N -0.988 120.153 121.223 -0.138 0.000 2.376 164 L HA 0.421 4.760 4.340 -0.001 0.000 0.258 164 L C -0.315 176.426 176.870 -0.214 0.000 1.013 164 L CA -1.221 53.484 54.840 -0.225 0.000 0.822 164 L CB 2.271 44.211 42.059 -0.197 0.000 1.388 164 L HN 0.274 nan 8.230 nan 0.000 0.413 165 H N -0.607 118.457 119.070 -0.011 0.000 2.652 165 H HA 0.153 4.708 4.556 -0.001 0.000 0.349 165 H C -1.205 174.146 175.328 0.039 0.000 1.099 165 H CA 0.059 56.156 56.048 0.082 0.000 1.417 165 H CB 0.728 30.544 29.762 0.090 0.000 1.457 165 H HN 0.329 nan 8.280 nan 0.000 0.568 166 W N 1.702 123.134 121.300 0.220 0.000 2.316 166 W HA 0.198 4.858 4.660 -0.001 0.000 0.321 166 W C 0.013 176.628 176.519 0.160 0.000 1.203 166 W CA -0.496 56.955 57.345 0.176 0.000 1.214 166 W CB 0.792 30.341 29.460 0.149 0.000 1.169 166 W HN 0.369 nan 8.180 nan 0.000 0.561 167 Q N 3.928 123.955 119.800 0.379 0.000 2.322 167 Q HA 0.101 4.440 4.340 -0.001 0.000 0.256 167 Q C -0.064 176.108 176.000 0.287 0.000 0.960 167 Q CA -0.062 55.904 55.803 0.272 0.000 0.934 167 Q CB 0.352 29.218 28.738 0.213 0.000 1.200 167 Q HN 0.478 nan 8.270 nan 0.000 0.435 168 N N 3.217 122.036 118.700 0.199 0.000 2.608 168 N HA -0.202 4.537 4.740 -0.001 0.000 0.273 168 N C 0.188 175.797 175.510 0.165 0.000 1.133 168 N CA 0.663 53.794 53.050 0.136 0.000 0.726 168 N CB -0.043 38.494 38.487 0.083 0.000 0.890 168 N HN 0.589 nan 8.380 nan 0.000 0.548 169 K N -0.078 120.403 120.400 0.135 0.000 2.097 169 K HA -0.075 4.245 4.320 -0.001 0.000 0.206 169 K C 1.861 178.455 176.600 -0.010 0.000 1.049 169 K CA 1.470 57.769 56.287 0.019 0.000 0.933 169 K CB -0.081 32.309 32.500 -0.183 0.000 0.717 169 K HN 0.283 nan 8.250 nan 0.000 0.442 170 S N 0.660 116.353 115.700 -0.011 0.000 2.382 170 S HA -0.171 4.298 4.470 -0.001 0.000 0.228 170 S C 1.982 176.552 174.600 -0.050 0.000 1.027 170 S CA 1.361 59.546 58.200 -0.026 0.000 0.991 170 S CB -0.106 63.083 63.200 -0.019 0.000 0.823 170 S HN 0.303 nan 8.310 nan 0.000 0.469 171 R N 0.812 121.265 120.500 -0.078 0.000 2.081 171 R HA -0.119 4.220 4.340 -0.001 0.000 0.235 171 R C 1.428 177.528 176.300 -0.334 0.000 1.131 171 R CA 2.267 58.207 56.100 -0.266 0.000 0.960 171 R CB -0.558 29.620 30.300 -0.202 0.000 0.856 171 R HN 0.317 nan 8.270 nan 0.000 0.436 172 D N 1.101 121.496 120.400 -0.009 0.000 2.117 172 D HA -0.151 4.489 4.640 -0.001 0.000 0.197 172 D C 1.877 178.213 176.300 0.059 0.000 0.987 172 D CA 1.575 55.662 54.000 0.144 0.000 0.829 172 D CB -0.098 40.872 40.800 0.283 0.000 0.961 172 D HN 0.296 nan 8.370 nan 0.000 0.460 173 I N 0.528 121.113 120.570 0.026 0.000 2.226 173 I HA -0.230 3.939 4.170 -0.001 0.000 0.245 173 I C 2.338 178.487 176.117 0.053 0.000 1.100 173 I CA 1.370 62.697 61.300 0.045 0.000 1.374 173 I CB -1.436 36.573 38.000 0.016 0.000 1.057 173 I HN 0.183 nan 8.210 nan 0.000 0.413 174 H N 1.303 120.287 119.070 -0.142 0.000 2.353 174 H HA -0.209 4.346 4.556 -0.001 0.000 0.300 174 H C 2.211 177.447 175.328 -0.154 0.000 1.090 174 H CA 1.832 57.780 56.048 -0.166 0.000 1.327 174 H CB -0.374 29.216 29.762 -0.287 0.000 1.383 174 H HN 0.231 nan 8.280 nan 0.000 0.508 175 Y N 0.190 120.448 120.300 -0.071 0.000 2.181 175 Y HA -0.133 4.416 4.550 -0.001 0.000 0.288 175 Y C 2.746 178.503 175.900 -0.239 0.000 1.146 175 Y CA 0.970 58.807 58.100 -0.438 0.000 1.164 175 Y CB -0.605 37.037 38.460 -1.364 0.000 0.982 175 Y HN 0.145 nan 8.280 nan 0.000 0.515 176 I N -0.038 120.583 120.570 0.085 0.000 2.226 176 I HA -0.287 3.882 4.170 -0.001 0.000 0.245 176 I C 2.265 178.496 176.117 0.190 0.000 1.100 176 I CA 1.066 62.502 61.300 0.226 0.000 1.374 176 I CB -0.839 37.303 38.000 0.237 0.000 1.057 176 I HN 0.128 nan 8.210 nan 0.000 0.413 177 I N -0.640 119.999 120.570 0.116 0.000 2.286 177 I HA -0.225 3.944 4.170 -0.001 0.000 0.248 177 I C 2.513 178.663 176.117 0.055 0.000 1.115 177 I CA 1.330 62.650 61.300 0.033 0.000 1.392 177 I CB -1.325 36.661 38.000 -0.022 0.000 1.065 177 I HN 0.268 nan 8.210 nan 0.000 0.418 178 R N 0.346 120.925 120.500 0.131 0.000 2.120 178 R HA -0.195 4.144 4.340 -0.001 0.000 0.234 178 R C 2.460 178.851 176.300 0.151 0.000 1.123 178 R CA 1.276 57.464 56.100 0.148 0.000 0.975 178 R CB -0.653 29.793 30.300 0.243 0.000 0.866 178 R HN 0.523 nan 8.270 nan 0.000 0.446 179 H N 1.366 120.511 119.070 0.125 0.000 2.299 179 H HA -0.121 4.434 4.556 -0.001 0.000 0.302 179 H C 1.919 177.272 175.328 0.041 0.000 1.078 179 H CA 1.948 58.065 56.048 0.115 0.000 1.323 179 H CB 0.004 29.880 29.762 0.189 0.000 1.381 179 H HN 0.147 nan 8.280 nan 0.000 0.498 180 L N -0.339 121.049 121.223 0.274 0.000 2.201 180 L HA 0.030 4.369 4.340 -0.001 0.000 0.212 180 L C 2.227 179.069 176.870 -0.048 0.000 1.105 180 L CA 1.713 56.613 54.840 0.100 0.000 0.775 180 L CB -1.454 40.549 42.059 -0.094 0.000 0.913 180 L HN 0.039 nan 8.230 nan 0.000 0.440 181 T N 0.719 115.242 114.554 -0.051 0.000 2.770 181 T HA -0.148 4.201 4.350 -0.001 0.000 0.263 181 T C 1.662 176.337 174.700 -0.043 0.000 1.039 181 T CA 1.530 63.591 62.100 -0.066 0.000 1.142 181 T CB -0.261 68.576 68.868 -0.053 0.000 0.868 181 T HN 0.752 nan 8.240 nan 0.000 0.435 182 E N 0.746 120.924 120.200 -0.037 0.000 2.265 182 E HA -0.136 4.213 4.350 -0.001 0.000 0.196 182 E C 1.733 178.290 176.600 -0.072 0.000 0.996 182 E CA 1.285 57.654 56.400 -0.053 0.000 0.832 182 E CB -0.344 29.317 29.700 -0.064 0.000 0.756 182 E HN 0.309 nan 8.360 nan 0.000 0.491 183 T N 0.533 115.041 114.554 -0.078 0.000 2.894 183 T HA 0.102 4.451 4.350 -0.001 0.000 0.258 183 T C 1.695 176.383 174.700 -0.021 0.000 1.043 183 T CA 0.852 62.917 62.100 -0.057 0.000 1.141 183 T CB 0.089 68.951 68.868 -0.010 0.000 0.873 183 T HN 0.115 nan 8.240 nan 0.000 0.449 184 L N -0.672 120.537 121.223 -0.024 0.000 2.515 184 L HA 0.459 4.798 4.340 -0.001 0.000 0.202 184 L C 1.096 177.955 176.870 -0.019 0.000 1.056 184 L CA 0.133 54.962 54.840 -0.019 0.000 0.847 184 L CB 0.016 42.056 42.059 -0.031 0.000 1.131 184 L HN 0.432 nan 8.230 nan 0.000 0.484 185 G N -0.034 108.747 108.800 -0.032 0.000 2.785 185 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.686 185 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.686 185 G C -2.381 172.508 174.900 -0.018 0.000 1.155 185 G CA -0.563 44.524 45.100 -0.022 0.000 0.760 185 G HN -0.033 nan 8.290 nan 0.000 0.624 186 P HA -0.164 nan 4.420 nan 0.000 0.216 186 P C 1.920 179.242 177.300 0.036 0.000 1.154 186 P CA 2.051 65.156 63.100 0.008 0.000 0.865 186 P CB 0.130 31.840 31.700 0.017 0.000 0.789 187 E N -0.207 120.013 120.200 0.032 0.000 2.051 187 E HA -0.210 4.139 4.350 -0.001 0.000 0.192 187 E C 1.485 178.119 176.600 0.056 0.000 0.991 187 E CA 1.608 58.034 56.400 0.043 0.000 0.799 187 E CB -1.483 28.236 29.700 0.032 0.000 0.748 187 E HN 0.231 nan 8.360 nan 0.000 0.449 188 N N 0.884 119.611 118.700 0.046 0.000 2.354 188 N HA 0.008 4.748 4.740 -0.001 0.000 0.179 188 N C 1.939 177.497 175.510 0.080 0.000 1.021 188 N CA 0.681 53.766 53.050 0.057 0.000 0.887 188 N CB -0.138 38.372 38.487 0.039 0.000 0.974 188 N HN 0.241 nan 8.380 nan 0.000 0.437 189 L N 0.375 121.630 121.223 0.052 0.000 2.093 189 L HA -0.107 4.232 4.340 -0.001 0.000 0.208 189 L C 1.949 178.986 176.870 0.278 0.000 1.085 189 L CA 1.344 56.206 54.840 0.037 0.000 0.755 189 L CB -0.468 41.502 42.059 -0.149 0.000 0.904 189 L HN 0.176 nan 8.230 nan 0.000 0.435 190 S N -0.745 115.104 115.700 0.249 0.000 2.399 190 S HA -0.181 4.288 4.470 -0.001 0.000 0.231 190 S C 1.916 176.679 174.600 0.272 0.000 1.022 190 S CA 1.130 59.516 58.200 0.311 0.000 0.983 190 S CB -0.493 62.815 63.200 0.179 0.000 0.803 190 S HN 0.515 nan 8.310 nan 0.000 0.480 191 K N 1.260 121.789 120.400 0.216 0.000 2.365 191 K HA 0.227 4.546 4.320 -0.001 0.000 0.197 191 K C 0.318 177.081 176.600 0.272 0.000 1.042 191 K CA 0.153 56.554 56.287 0.189 0.000 0.987 191 K CB 0.071 32.652 32.500 0.134 0.000 0.779 191 K HN 0.303 nan 8.250 nan 0.000 0.484 192 S N 0.779 116.683 115.700 0.340 0.000 2.603 192 S HA 0.154 4.623 4.470 -0.001 0.000 0.268 192 S C -0.259 174.652 174.600 0.519 0.000 1.317 192 S CA -0.538 57.895 58.200 0.387 0.000 1.012 192 S CB 0.587 63.962 63.200 0.292 0.000 0.926 192 S HN 0.452 nan 8.310 nan 0.000 0.539 193 H N -1.521 117.665 119.070 0.192 0.000 3.064 193 H HA 0.637 5.192 4.556 -0.001 0.000 0.352 193 H C -1.799 173.518 175.328 -0.019 0.000 1.260 193 H CA -1.185 54.851 56.048 -0.019 0.000 1.160 193 H CB 0.047 29.615 29.762 -0.323 0.000 1.879 193 H HN 0.287 nan 8.280 nan 0.000 0.544 194 L N 1.642 122.804 121.223 -0.101 0.000 2.350 194 L HA 0.328 4.667 4.340 -0.001 0.000 0.275 194 L C 0.055 176.925 176.870 0.000 0.000 1.099 194 L CA 0.165 54.919 54.840 -0.144 0.000 0.808 194 L CB 1.336 43.247 42.059 -0.247 0.000 1.149 194 L HN 0.808 nan 8.230 nan 0.000 0.442 195 Q N 2.202 122.029 119.800 0.046 0.000 2.401 195 Q HA 0.515 4.854 4.340 -0.001 0.000 0.260 195 Q C -1.711 174.500 176.000 0.352 0.000 1.034 195 Q CA -0.344 55.601 55.803 0.237 0.000 0.737 195 Q CB 1.384 30.266 28.738 0.239 0.000 1.227 195 Q HN 0.462 nan 8.270 nan 0.000 0.488 196 V N 2.761 122.875 119.914 0.333 0.000 2.394 196 V HA 0.579 4.699 4.120 -0.001 0.000 0.282 196 V C 0.227 176.438 176.094 0.196 0.000 1.031 196 V CA -0.708 61.751 62.300 0.264 0.000 0.881 196 V CB 1.333 33.199 31.823 0.070 0.000 0.982 196 V HN 0.894 nan 8.190 nan 0.000 0.451 197 A N 4.248 127.123 122.820 0.092 0.000 2.498 197 A HA 0.197 4.516 4.320 -0.001 0.000 0.239 197 A C 1.250 178.835 177.584 0.002 0.000 1.068 197 A CA -0.191 51.757 52.037 -0.149 0.000 0.766 197 A CB -0.042 18.833 19.000 -0.210 0.000 1.003 197 A HN 0.889 nan 8.150 nan 0.000 0.497 198 N N 0.824 119.503 118.700 -0.035 0.000 2.058 198 N HA -0.083 4.656 4.740 -0.001 0.000 0.191 198 N C 0.246 175.778 175.510 0.036 0.000 1.037 198 N CA 1.027 54.094 53.050 0.028 0.000 0.848 198 N CB -0.250 38.246 38.487 0.016 0.000 1.021 198 N HN 0.689 nan 8.380 nan 0.000 0.422 199 E N 0.914 121.115 120.200 0.002 0.000 2.331 199 E HA 0.193 4.542 4.350 -0.001 0.000 0.272 199 E C -0.181 176.409 176.600 -0.017 0.000 1.036 199 E CA -0.516 55.882 56.400 -0.004 0.000 0.864 199 E CB 1.025 30.705 29.700 -0.034 0.000 1.035 199 E HN 0.025 nan 8.360 nan 0.000 0.408 200 L N 2.378 123.592 121.223 -0.015 0.000 2.375 200 L HA 0.262 4.601 4.340 -0.001 0.000 0.271 200 L C -0.126 176.615 176.870 -0.215 0.000 1.107 200 L CA 0.086 54.863 54.840 -0.104 0.000 0.806 200 L CB 0.191 42.056 42.059 -0.323 0.000 1.146 200 L HN 0.386 nan 8.230 nan 0.000 0.447 201 F N 2.759 122.527 119.950 -0.302 0.000 2.371 201 F HA 0.346 4.872 4.527 -0.001 0.000 0.363 201 F C -0.346 175.352 175.800 -0.170 0.000 1.122 201 F CA -0.355 57.470 58.000 -0.291 0.000 1.129 201 F CB 0.358 38.865 39.000 -0.821 0.000 1.173 201 F HN 0.263 nan 8.300 nan 0.000 0.489 202 Y N 2.733 123.204 120.300 0.284 0.000 2.334 202 Y HA 0.640 5.190 4.550 -0.001 0.000 0.328 202 Y C 0.140 176.279 175.900 0.398 0.000 1.130 202 Y CA -0.817 57.435 58.100 0.253 0.000 1.163 202 Y CB 1.529 40.045 38.460 0.094 0.000 1.207 202 Y HN 0.455 nan 8.280 nan 0.000 0.471 203 R N 2.591 123.343 120.500 0.420 0.000 2.522 203 R HA 0.273 4.612 4.340 -0.001 0.000 0.273 203 R C -0.315 176.062 176.300 0.128 0.000 1.133 203 R CA -0.274 55.945 56.100 0.199 0.000 0.969 203 R CB 0.655 30.946 30.300 -0.015 0.000 1.235 203 R HN 1.007 nan 8.270 nan 0.000 0.433 204 N N 1.934 120.676 118.700 0.070 0.000 1.414 204 N HA -0.352 4.387 4.740 -0.001 0.000 0.142 204 N C -0.330 175.150 175.510 -0.050 0.000 0.587 204 N CA 2.232 55.273 53.050 -0.016 0.000 1.068 204 N CB -0.500 37.893 38.487 -0.157 0.000 1.317 204 N HN 0.642 nan 8.380 nan 0.000 0.463 205 K N 1.246 121.429 120.400 -0.362 0.000 2.446 205 K HA 0.505 4.824 4.320 -0.001 0.000 0.203 205 K C -0.814 175.707 176.600 -0.131 0.000 1.027 205 K CA 0.169 56.027 56.287 -0.714 0.000 1.166 205 K CB 0.710 32.652 32.500 -0.931 0.000 0.869 205 K HN 0.390 nan 8.250 nan 0.000 0.504 206 A N 0.649 123.446 122.820 -0.038 0.000 2.401 206 A HA 0.783 5.102 4.320 -0.001 0.000 0.310 206 A C -1.284 176.050 177.584 -0.417 0.000 1.075 206 A CA -0.712 51.125 52.037 -0.333 0.000 0.746 206 A CB 1.604 20.347 19.000 -0.429 0.000 1.277 206 A HN 0.130 nan 8.150 nan 0.000 0.425 207 A N 0.861 123.178 122.820 -0.837 0.000 2.310 207 A HA 0.603 4.922 4.320 -0.001 0.000 0.304 207 A C -1.433 175.773 177.584 -0.628 0.000 1.231 207 A CA -0.264 51.175 52.037 -0.996 0.000 0.799 207 A CB 0.123 18.272 19.000 -1.417 0.000 1.162 207 A HN 0.739 nan 8.150 nan 0.000 0.486 208 W N 2.211 123.252 121.300 -0.431 0.000 2.351 208 W HA 0.520 5.179 4.660 -0.001 0.000 0.311 208 W C 0.039 176.462 176.519 -0.160 0.000 1.168 208 W CA -0.112 57.086 57.345 -0.245 0.000 1.200 208 W CB 1.480 30.795 29.460 -0.242 0.000 1.221 208 W HN 0.608 nan 8.180 nan 0.000 0.519 209 L N 5.232 126.513 121.223 0.097 0.000 2.261 209 L HA 0.463 4.802 4.340 -0.001 0.000 0.289 209 L C -0.688 176.310 176.870 0.214 0.000 1.059 209 L CA -0.358 54.569 54.840 0.145 0.000 0.816 209 L CB 0.206 42.327 42.059 0.103 0.000 1.191 209 L HN 0.113 nan 8.230 nan 0.000 0.431 210 V N 5.196 125.249 119.914 0.232 0.000 2.347 210 V HA 0.782 4.901 4.120 -0.001 0.000 0.280 210 V C 0.569 176.924 176.094 0.433 0.000 1.021 210 V CA -0.221 62.206 62.300 0.212 0.000 0.847 210 V CB 1.009 32.751 31.823 -0.136 0.000 0.990 210 V HN 0.869 nan 8.190 nan 0.000 0.444 211 G N 3.994 113.064 108.800 0.450 0.000 2.672 211 G HA2 0.591 4.550 3.960 -0.001 0.000 0.292 211 G HA3 0.591 4.550 3.960 -0.001 0.000 0.292 211 G C -1.284 173.807 174.900 0.317 0.000 1.375 211 G CA -0.862 44.543 45.100 0.508 0.000 0.890 211 G HN 0.500 nan 8.290 nan 0.000 0.476 212 K N -0.070 120.456 120.400 0.210 0.000 2.130 212 K HA 0.465 4.784 4.320 -0.001 0.000 0.268 212 K C -1.236 175.359 176.600 -0.009 0.000 0.983 212 K CA -0.768 55.520 56.287 0.003 0.000 0.893 212 K CB 2.391 34.819 32.500 -0.120 0.000 1.066 212 K HN 0.247 nan 8.250 nan 0.000 0.450 213 L N 4.552 125.763 121.223 -0.019 0.000 2.324 213 L HA 0.383 4.723 4.340 -0.001 0.000 0.274 213 L C -1.080 175.741 176.870 -0.082 0.000 1.012 213 L CA -0.248 54.562 54.840 -0.050 0.000 0.859 213 L CB 0.566 42.661 42.059 0.060 0.000 1.224 213 L HN 0.509 nan 8.230 nan 0.000 0.429 214 I N 5.083 125.533 120.570 -0.200 0.000 2.281 214 I HA 0.302 4.471 4.170 -0.001 0.000 0.293 214 I C 0.620 176.721 176.117 -0.028 0.000 1.085 214 I CA -0.149 61.046 61.300 -0.175 0.000 1.257 214 I CB 0.785 38.575 38.000 -0.350 0.000 1.430 214 I HN 0.692 nan 8.210 nan 0.000 0.489 215 T N 3.003 117.574 114.554 0.029 0.000 2.948 215 T HA 0.445 4.794 4.350 -0.001 0.000 0.285 215 T C -1.590 173.157 174.700 0.079 0.000 1.019 215 T CA -1.893 60.252 62.100 0.075 0.000 1.013 215 T CB 1.715 70.616 68.868 0.055 0.000 1.117 215 T HN 0.257 nan 8.240 nan 0.000 0.533 216 P HA -0.045 nan 4.420 nan 0.000 0.218 216 P C 1.487 178.817 177.300 0.050 0.000 1.148 216 P CA 0.871 64.013 63.100 0.070 0.000 0.822 216 P CB -0.065 31.675 31.700 0.066 0.000 0.784 217 S N -0.956 114.769 115.700 0.042 0.000 2.362 217 S HA 0.239 4.709 4.470 -0.001 0.000 0.221 217 S C 1.387 176.001 174.600 0.025 0.000 1.032 217 S CA 1.162 59.380 58.200 0.030 0.000 0.973 217 S CB -0.396 62.820 63.200 0.027 0.000 0.849 217 S HN 0.429 nan 8.310 nan 0.000 0.465 218 G N -0.281 108.533 108.800 0.023 0.000 2.494 218 G HA2 0.472 4.431 3.960 -0.001 0.000 0.308 218 G HA3 0.472 4.431 3.960 -0.001 0.000 0.308 218 G C -1.741 173.159 174.900 0.001 0.000 1.263 218 G CA -0.602 44.505 45.100 0.011 0.000 0.840 218 G HN 0.047 nan 8.290 nan 0.000 0.479 219 T N 0.749 115.291 114.554 -0.019 0.000 2.786 219 T HA 0.655 5.004 4.350 -0.001 0.000 0.283 219 T C -0.895 173.779 174.700 -0.043 0.000 0.992 219 T CA -0.183 61.891 62.100 -0.043 0.000 0.954 219 T CB 1.437 70.261 68.868 -0.072 0.000 0.934 219 T HN 0.328 nan 8.240 nan 0.000 0.440 220 L N 4.548 125.757 121.223 -0.025 0.000 2.319 220 L HA 0.613 4.952 4.340 -0.001 0.000 0.267 220 L C -2.397 174.480 176.870 0.012 0.000 1.011 220 L CA -2.501 52.339 54.840 0.000 0.000 0.818 220 L CB 1.440 43.522 42.059 0.038 0.000 1.316 220 L HN 0.341 nan 8.230 nan 0.000 0.432 221 P HA 0.144 nan 4.420 nan 0.000 0.271 221 P C -1.353 176.030 177.300 0.138 0.000 1.216 221 P CA 0.176 63.298 63.100 0.036 0.000 0.776 221 P CB 0.235 31.941 31.700 0.010 0.000 0.881 222 F N 4.505 124.459 119.950 0.006 0.000 2.532 222 F HA 0.435 4.961 4.527 -0.001 0.000 0.365 222 F C -1.341 174.499 175.800 0.066 0.000 1.112 222 F CA -0.646 57.367 58.000 0.022 0.000 1.082 222 F CB 0.500 39.521 39.000 0.036 0.000 1.319 222 F HN 0.040 nan 8.300 nan 0.000 0.457 223 L N 7.123 128.188 121.223 -0.264 0.000 2.305 223 L HA 0.517 4.856 4.340 -0.001 0.000 0.284 223 L C -0.988 175.747 176.870 -0.224 0.000 1.013 223 L CA -0.767 54.050 54.840 -0.038 0.000 0.819 223 L CB 1.880 44.074 42.059 0.225 0.000 1.227 223 L HN 0.527 nan 8.230 nan 0.000 0.417 224 L N 5.974 127.098 121.223 -0.165 0.000 2.353 224 L HA 0.425 4.765 4.340 -0.001 0.000 0.270 224 L C -2.304 174.313 176.870 -0.423 0.000 1.003 224 L CA -1.683 52.988 54.840 -0.282 0.000 0.862 224 L CB 1.909 43.864 42.059 -0.173 0.000 1.221 224 L HN 0.317 nan 8.230 nan 0.000 0.430 225 P HA 0.226 nan 4.420 nan 0.000 0.281 225 P C -0.459 176.452 177.300 -0.649 0.000 1.286 225 P CA -0.053 62.249 63.100 -1.330 0.000 0.772 225 P CB 0.902 31.690 31.700 -1.521 0.000 0.862 226 I N 4.988 125.189 120.570 -0.616 0.000 2.301 226 I HA 0.235 4.404 4.170 -0.001 0.000 0.292 226 I C 1.130 176.987 176.117 -0.434 0.000 1.046 226 I CA -0.324 60.757 61.300 -0.365 0.000 1.282 226 I CB 0.168 38.027 38.000 -0.234 0.000 1.409 226 I HN 0.305 nan 8.210 nan 0.000 0.484 227 H N 5.642 124.459 119.070 -0.422 0.000 2.567 227 H HA 0.419 4.974 4.556 -0.001 0.000 0.345 227 H C -0.660 174.324 175.328 -0.573 0.000 1.169 227 H CA -0.735 55.042 56.048 -0.453 0.000 1.227 227 H CB 2.066 31.430 29.762 -0.663 0.000 1.607 227 H HN 0.545 nan 8.280 nan 0.000 0.534 228 Q N 0.766 120.465 119.800 -0.168 0.000 2.333 228 Q HA 0.378 4.718 4.340 -0.001 0.000 0.267 228 Q C -0.743 175.326 176.000 0.115 0.000 1.012 228 Q CA -1.032 54.705 55.803 -0.109 0.000 0.824 228 Q CB 1.427 30.064 28.738 -0.169 0.000 1.290 228 Q HN 0.399 nan 8.270 nan 0.000 0.449 229 T N 2.783 117.534 114.554 0.328 0.000 2.906 229 T HA -0.019 4.330 4.350 -0.001 0.000 0.320 229 T C 0.178 174.990 174.700 0.186 0.000 1.088 229 T CA 0.028 62.346 62.100 0.363 0.000 1.120 229 T CB 0.149 69.197 68.868 0.299 0.000 1.000 229 T HN 0.721 nan 8.240 nan 0.000 0.550 230 D N 0.817 121.314 120.400 0.163 0.000 2.361 230 D HA 0.040 4.679 4.640 -0.001 0.000 0.239 230 D C -0.049 176.303 176.300 0.086 0.000 1.200 230 D CA -0.358 53.713 54.000 0.119 0.000 0.915 230 D CB 0.382 41.246 40.800 0.107 0.000 1.170 230 D HN 0.534 nan 8.370 nan 0.000 0.444 231 D N -1.032 119.399 120.400 0.053 0.000 3.070 231 D HA -0.094 4.545 4.640 -0.001 0.000 0.210 231 D C 0.973 177.293 176.300 0.033 0.000 1.103 231 D CA 1.461 55.483 54.000 0.038 0.000 0.980 231 D CB -1.552 39.277 40.800 0.048 0.000 1.100 231 D HN 0.950 nan 8.370 nan 0.000 0.423 232 G N 0.062 108.874 108.800 0.020 0.000 2.338 232 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.296 232 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.296 232 G C -0.070 174.830 174.900 -0.001 0.000 1.040 232 G CA 0.978 46.069 45.100 -0.014 0.000 1.004 232 G HN 0.411 nan 8.290 nan 0.000 0.509 233 E N -1.182 119.047 120.200 0.048 0.000 2.299 233 E HA 0.638 4.987 4.350 -0.001 0.000 0.265 233 E C 0.121 176.746 176.600 0.042 0.000 0.911 233 E CA -0.913 55.525 56.400 0.063 0.000 0.789 233 E CB 1.788 31.573 29.700 0.140 0.000 1.246 233 E HN 0.238 nan 8.360 nan 0.000 0.427 234 L N 2.283 123.458 121.223 -0.081 0.000 2.317 234 L HA 0.561 4.900 4.340 -0.001 0.000 0.281 234 L C -0.404 176.517 176.870 0.085 0.000 1.024 234 L CA -0.830 53.854 54.840 -0.260 0.000 0.810 234 L CB 0.395 41.855 42.059 -1.000 0.000 1.240 234 L HN 0.420 nan 8.230 nan 0.000 0.427 235 F N 0.622 120.612 119.950 0.067 0.000 2.601 235 F HA 0.684 5.210 4.527 -0.001 0.000 0.309 235 F C -0.901 175.075 175.800 0.293 0.000 1.089 235 F CA -1.251 56.916 58.000 0.278 0.000 0.940 235 F CB 0.912 40.059 39.000 0.245 0.000 1.273 235 F HN 0.130 nan 8.300 nan 0.000 0.450 236 I N 2.684 123.578 120.570 0.539 0.000 2.396 236 I HA 0.115 4.284 4.170 -0.001 0.000 0.289 236 I C 0.437 176.846 176.117 0.486 0.000 1.056 236 I CA 0.127 61.650 61.300 0.371 0.000 1.365 236 I CB 1.044 39.270 38.000 0.377 0.000 1.407 236 I HN 0.775 nan 8.210 nan 0.000 0.509 237 D N 3.228 123.766 120.400 0.230 0.000 2.194 237 D HA -0.036 4.603 4.640 -0.001 0.000 0.204 237 D C 0.696 176.776 176.300 -0.366 0.000 0.964 237 D CA 1.040 55.154 54.000 0.190 0.000 0.846 237 D CB 0.527 41.447 40.800 0.200 0.000 0.962 237 D HN 0.609 nan 8.370 nan 0.000 0.490 238 T N -2.294 111.812 114.554 -0.747 0.000 2.658 238 T HA 0.388 4.738 4.350 -0.001 0.000 0.305 238 T C -2.081 172.060 174.700 -0.933 0.000 1.551 238 T CA -0.647 60.531 62.100 -1.538 0.000 0.985 238 T CB 0.588 68.744 68.868 -1.186 0.000 1.731 238 T HN -0.033 nan 8.240 nan 0.000 0.486 239 C N 2.200 121.018 119.300 -0.804 0.000 2.609 239 C HA 0.837 5.297 4.460 -0.001 0.000 0.313 239 C C -1.613 172.991 174.990 -0.643 0.000 1.175 239 C CA -0.613 58.017 59.018 -0.646 0.000 1.434 239 C CB -0.213 27.168 27.740 -0.598 0.000 2.005 239 C HN 0.812 nan 8.230 nan 0.000 0.471 240 L N 5.881 126.828 121.223 -0.460 0.000 2.377 240 L HA 0.427 4.766 4.340 -0.001 0.000 0.270 240 L C 1.054 177.849 176.870 -0.126 0.000 0.991 240 L CA -0.013 54.701 54.840 -0.210 0.000 0.851 240 L CB 1.875 43.886 42.059 -0.081 0.000 1.218 240 L HN 0.885 nan 8.230 nan 0.000 0.420 241 T N -2.925 111.617 114.554 -0.020 0.000 3.085 241 T HA 0.128 4.478 4.350 -0.001 0.000 0.264 241 T C 0.608 175.351 174.700 0.071 0.000 1.019 241 T CA -0.149 61.987 62.100 0.061 0.000 0.910 241 T CB 0.154 69.112 68.868 0.149 0.000 1.059 241 T HN 0.336 nan 8.240 nan 0.000 0.542 242 T N 2.015 116.603 114.554 0.058 0.000 2.799 242 T HA 0.349 4.698 4.350 -0.001 0.000 0.286 242 T C 1.538 176.261 174.700 0.038 0.000 0.973 242 T CA 0.060 62.191 62.100 0.052 0.000 1.035 242 T CB 1.531 70.432 68.868 0.055 0.000 0.932 242 T HN 0.377 nan 8.240 nan 0.000 0.469 243 T N 2.717 117.292 114.554 0.034 0.000 2.665 243 T HA -0.204 4.145 4.350 -0.001 0.000 0.268 243 T C 2.192 176.924 174.700 0.053 0.000 1.035 243 T CA 1.894 64.011 62.100 0.028 0.000 1.151 243 T CB -0.404 68.478 68.868 0.023 0.000 0.862 243 T HN 0.637 nan 8.240 nan 0.000 0.438 244 A N 0.892 123.759 122.820 0.077 0.000 1.902 244 A HA -0.053 4.266 4.320 -0.001 0.000 0.217 244 A C 2.229 179.797 177.584 -0.026 0.000 1.181 244 A CA 1.917 54.019 52.037 0.108 0.000 0.623 244 A CB -0.769 18.325 19.000 0.157 0.000 0.818 244 A HN 0.765 nan 8.150 nan 0.000 0.443 245 E N -0.277 119.924 120.200 0.002 0.000 2.085 245 E HA -0.146 4.204 4.350 -0.001 0.000 0.194 245 E C 2.323 178.929 176.600 0.009 0.000 0.994 245 E CA 1.052 57.452 56.400 0.000 0.000 0.801 245 E CB -0.296 29.426 29.700 0.037 0.000 0.743 245 E HN 0.626 nan 8.360 nan 0.000 0.453 246 A N 0.714 123.555 122.820 0.035 0.000 1.902 246 A HA -0.207 4.112 4.320 -0.001 0.000 0.217 246 A C 2.259 179.923 177.584 0.134 0.000 1.181 246 A CA 1.715 53.803 52.037 0.086 0.000 0.623 246 A CB -0.643 18.391 19.000 0.057 0.000 0.818 246 A HN 0.210 nan 8.150 nan 0.000 0.443 247 S N -0.457 115.285 115.700 0.069 0.000 2.370 247 S HA -0.147 4.322 4.470 -0.001 0.000 0.226 247 S C 1.856 176.492 174.600 0.059 0.000 1.033 247 S CA 1.591 59.856 58.200 0.108 0.000 1.011 247 S CB -0.511 62.808 63.200 0.198 0.000 0.852 247 S HN 0.491 nan 8.310 nan 0.000 0.457 248 I N 0.816 121.308 120.570 -0.130 0.000 2.252 248 I HA -0.111 4.058 4.170 -0.001 0.000 0.245 248 I C 2.200 178.259 176.117 -0.097 0.000 1.102 248 I CA 0.762 61.960 61.300 -0.169 0.000 1.385 248 I CB -0.305 37.535 38.000 -0.265 0.000 1.064 248 I HN 0.171 nan 8.210 nan 0.000 0.414 249 V N 0.052 119.914 119.914 -0.086 0.000 2.407 249 V HA -0.253 3.867 4.120 -0.001 0.000 0.248 249 V C 1.608 177.499 176.094 -0.339 0.000 1.055 249 V CA 1.792 63.935 62.300 -0.261 0.000 1.049 249 V CB -0.590 30.971 31.823 -0.438 0.000 0.662 249 V HN 0.299 nan 8.190 nan 0.000 0.455 250 F N 0.694 120.580 119.950 -0.106 0.000 2.645 250 F HA 0.437 4.963 4.527 -0.001 0.000 0.300 250 F C 1.566 177.367 175.800 0.002 0.000 1.115 250 F CA -0.244 57.753 58.000 -0.005 0.000 1.355 250 F CB -0.553 38.478 39.000 0.052 0.000 1.026 250 F HN 0.125 nan 8.300 nan 0.000 0.536 251 G N 0.077 108.919 108.800 0.070 0.000 2.491 251 G HA2 0.016 3.975 3.960 -0.001 0.000 0.238 251 G HA3 0.016 3.975 3.960 -0.001 0.000 0.238 251 G C 0.941 175.871 174.900 0.050 0.000 1.277 251 G CA -0.380 44.771 45.100 0.085 0.000 0.851 251 G HN 0.490 nan 8.290 nan 0.000 0.573 252 F N 0.835 120.816 119.950 0.052 0.000 2.250 252 F HA 0.020 4.546 4.527 -0.001 0.000 0.301 252 F C 2.078 177.883 175.800 0.008 0.000 1.077 252 F CA 1.067 59.098 58.000 0.053 0.000 1.348 252 F CB -0.024 39.002 39.000 0.043 0.000 1.040 252 F HN 0.354 nan 8.300 nan 0.000 0.509 253 A N 0.446 122.655 122.820 -1.018 0.000 2.302 253 A HA 0.302 4.621 4.320 -0.001 0.000 0.219 253 A C 0.873 178.204 177.584 -0.422 0.000 1.243 253 A CA -0.416 51.138 52.037 -0.804 0.000 0.856 253 A CB -0.520 17.909 19.000 -0.951 0.000 0.893 253 A HN 0.426 nan 8.150 nan 0.000 0.491 254 R N -0.500 119.794 120.500 -0.343 0.000 2.758 254 R HA 0.529 4.868 4.340 -0.001 0.000 0.265 254 R C -0.046 176.038 176.300 -0.361 0.000 1.016 254 R CA -0.478 55.427 56.100 -0.326 0.000 1.040 254 R CB 1.046 31.138 30.300 -0.348 0.000 1.152 254 R HN 0.249 nan 8.270 nan 0.000 0.503 255 S N 0.918 116.388 115.700 -0.383 0.000 2.573 255 S HA 0.056 4.525 4.470 -0.001 0.000 0.277 255 S C -0.496 173.865 174.600 -0.398 0.000 1.346 255 S CA -0.197 57.736 58.200 -0.444 0.000 1.034 255 S CB 0.086 63.098 63.200 -0.313 0.000 0.879 255 S HN 0.209 nan 8.310 nan 0.000 0.528 256 Y N 0.581 120.825 120.300 -0.094 0.000 2.457 256 Y HA 0.228 4.777 4.550 -0.001 0.000 0.341 256 Y C 0.476 176.351 175.900 -0.042 0.000 1.240 256 Y CA -0.770 57.320 58.100 -0.016 0.000 1.437 256 Y CB -0.066 38.464 38.460 0.116 0.000 1.328 256 Y HN 0.413 nan 8.280 nan 0.000 0.588 257 F N 1.933 122.061 119.950 0.297 0.000 2.429 257 F HA 0.201 4.727 4.527 -0.001 0.000 0.348 257 F C 0.450 176.385 175.800 0.224 0.000 1.109 257 F CA -0.612 57.532 58.000 0.239 0.000 1.232 257 F CB 0.548 39.760 39.000 0.353 0.000 1.157 257 F HN 0.217 nan 8.300 nan 0.000 0.564 258 M N 4.909 124.770 119.600 0.435 0.000 2.435 258 M HA 0.232 4.711 4.480 -0.001 0.000 0.344 258 M C -0.811 175.645 176.300 0.259 0.000 1.329 258 M CA -0.130 55.328 55.300 0.264 0.000 1.320 258 M CB 0.390 33.109 32.600 0.199 0.000 1.309 258 M HN 0.302 nan 8.290 nan 0.000 0.451 259 V N 5.237 125.229 119.914 0.129 0.000 2.656 259 V HA 0.397 4.516 4.120 -0.001 0.000 0.307 259 V C -1.590 174.523 176.094 0.031 0.000 1.051 259 V CA -0.725 61.514 62.300 -0.102 0.000 0.893 259 V CB 2.454 33.895 31.823 -0.635 0.000 0.999 259 V HN 0.683 nan 8.190 nan 0.000 0.426 260 Y N 5.894 126.139 120.300 -0.092 0.000 2.486 260 Y HA 0.628 5.177 4.550 -0.001 0.000 0.348 260 Y C 0.391 176.295 175.900 0.007 0.000 1.000 260 Y CA 0.250 58.338 58.100 -0.020 0.000 1.253 260 Y CB 0.896 39.342 38.460 -0.024 0.000 1.140 260 Y HN 0.799 nan 8.280 nan 0.000 0.526 261 A N 8.476 131.156 122.820 -0.234 0.000 2.763 261 A HA 0.400 4.719 4.320 -0.001 0.000 0.325 261 A C -2.251 175.282 177.584 -0.086 0.000 1.209 261 A CA -1.476 50.506 52.037 -0.092 0.000 0.764 261 A CB 0.488 19.539 19.000 0.085 0.000 1.120 261 A HN 0.671 nan 8.150 nan 0.000 0.463 262 P HA -0.076 nan 4.420 nan 0.000 0.219 262 P C 0.042 177.338 177.300 -0.007 0.000 1.146 262 P CA 1.125 64.172 63.100 -0.088 0.000 0.808 262 P CB 0.216 31.874 31.700 -0.070 0.000 0.779 263 L N -1.204 120.013 121.223 -0.010 0.000 2.518 263 L HA 0.395 4.734 4.340 -0.001 0.000 0.262 263 L C -2.266 174.609 176.870 0.007 0.000 0.982 263 L CA -1.982 52.847 54.840 -0.017 0.000 0.873 263 L CB 1.844 43.904 42.059 0.002 0.000 1.198 263 L HN -0.225 nan 8.230 nan 0.000 0.427 264 P HA -0.022 nan 4.420 nan 0.000 0.218 264 P C 1.408 178.716 177.300 0.014 0.000 1.152 264 P CA 1.436 64.578 63.100 0.069 0.000 0.826 264 P CB 0.268 32.066 31.700 0.163 0.000 0.790 265 A N 0.447 123.286 122.820 0.032 0.000 1.948 265 A HA -0.180 4.139 4.320 -0.001 0.000 0.220 265 A C 2.359 179.943 177.584 0.001 0.000 1.177 265 A CA 2.380 54.422 52.037 0.009 0.000 0.636 265 A CB -1.607 17.398 19.000 0.009 0.000 0.815 265 A HN 0.230 nan 8.150 nan 0.000 0.449 266 A N -0.926 121.919 122.820 0.043 0.000 1.929 266 A HA 0.068 4.387 4.320 -0.001 0.000 0.216 266 A C 2.099 179.748 177.584 0.108 0.000 1.176 266 A CA 1.567 53.653 52.037 0.081 0.000 0.628 266 A CB -0.509 18.541 19.000 0.084 0.000 0.816 266 A HN 0.644 nan 8.150 nan 0.000 0.444 267 L N -0.212 121.058 121.223 0.078 0.000 2.093 267 L HA -0.064 4.275 4.340 -0.001 0.000 0.208 267 L C 2.353 179.317 176.870 0.157 0.000 1.085 267 L CA 1.578 56.500 54.840 0.137 0.000 0.755 267 L CB -0.427 41.694 42.059 0.103 0.000 0.904 267 L HN 0.141 nan 8.230 nan 0.000 0.435 268 V N -0.383 119.523 119.914 -0.014 0.000 2.295 268 V HA -0.278 3.841 4.120 -0.001 0.000 0.246 268 V C 2.660 178.735 176.094 -0.032 0.000 1.049 268 V CA 1.881 64.107 62.300 -0.124 0.000 1.024 268 V CB -0.520 31.030 31.823 -0.454 0.000 0.648 268 V HN 0.471 nan 8.190 nan 0.000 0.447 269 E N -0.791 119.415 120.200 0.009 0.000 2.058 269 E HA -0.278 4.071 4.350 -0.001 0.000 0.194 269 E C 1.810 178.464 176.600 0.090 0.000 0.997 269 E CA 1.917 58.339 56.400 0.035 0.000 0.801 269 E CB -0.453 29.278 29.700 0.050 0.000 0.746 269 E HN 0.669 nan 8.360 nan 0.000 0.450 270 W N -0.131 121.157 121.300 -0.020 0.000 2.358 270 W HA -0.174 4.485 4.660 -0.001 0.000 0.303 270 W C 1.711 178.209 176.519 -0.035 0.000 1.208 270 W CA 1.042 58.385 57.345 -0.003 0.000 1.274 270 W CB -0.349 29.132 29.460 0.034 0.000 1.138 270 W HN 0.151 nan 8.180 nan 0.000 0.515 271 L N 1.232 122.526 121.223 0.120 0.000 2.042 271 L HA -0.196 4.144 4.340 -0.001 0.000 0.210 271 L C 2.537 179.253 176.870 -0.258 0.000 1.076 271 L CA 1.793 56.557 54.840 -0.126 0.000 0.749 271 L CB -1.563 40.454 42.059 -0.070 0.000 0.893 271 L HN 0.042 nan 8.230 nan 0.000 0.432 272 R N -0.561 119.838 120.500 -0.169 0.000 2.159 272 R HA -0.288 4.051 4.340 -0.001 0.000 0.252 272 R C 2.131 178.324 176.300 -0.179 0.000 1.144 272 R CA 2.044 58.054 56.100 -0.150 0.000 0.961 272 R CB -0.538 29.704 30.300 -0.097 0.000 0.877 272 R HN 0.498 nan 8.270 nan 0.000 0.444 273 E N 0.036 120.099 120.200 -0.227 0.000 2.118 273 E HA -0.177 4.172 4.350 -0.001 0.000 0.195 273 E C 1.765 178.225 176.600 -0.232 0.000 0.992 273 E CA 0.902 57.169 56.400 -0.222 0.000 0.804 273 E CB 0.162 29.699 29.700 -0.271 0.000 0.741 273 E HN 0.187 nan 8.360 nan 0.000 0.458 274 I N 0.262 120.642 120.570 -0.316 0.000 2.716 274 I HA -0.065 4.104 4.170 -0.001 0.000 0.259 274 I C 0.926 176.910 176.117 -0.222 0.000 1.172 274 I CA 0.908 62.039 61.300 -0.282 0.000 1.478 274 I CB -0.084 37.687 38.000 -0.382 0.000 1.104 274 I HN 0.081 nan 8.210 nan 0.000 0.439 275 L N 2.410 123.490 121.223 -0.239 0.000 2.637 275 L HA 0.242 4.581 4.340 -0.001 0.000 0.241 275 L C -1.422 175.379 176.870 -0.115 0.000 1.398 275 L CA -0.838 53.891 54.840 -0.185 0.000 0.895 275 L CB 1.051 42.936 42.059 -0.290 0.000 1.183 275 L HN -0.091 nan 8.230 nan 0.000 0.497 276 P HA -0.120 nan 4.420 nan 0.000 0.220 276 P C 1.542 178.824 177.300 -0.030 0.000 1.148 276 P CA 1.114 64.181 63.100 -0.055 0.000 0.803 276 P CB 0.374 32.048 31.700 -0.043 0.000 0.782 277 G N 0.654 109.445 108.800 -0.015 0.000 2.432 277 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.219 277 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.219 277 G C 0.835 175.735 174.900 -0.000 0.000 1.135 277 G CA 0.279 45.379 45.100 -0.000 0.000 0.767 277 G HN 0.278 nan 8.290 nan 0.000 0.550 278 K N 1.618 122.016 120.400 -0.004 0.000 2.298 278 K HA 0.257 4.577 4.320 -0.001 0.000 0.280 278 K C 0.506 177.111 176.600 0.008 0.000 1.032 278 K CA -0.061 56.230 56.287 0.008 0.000 0.958 278 K CB 1.002 33.504 32.500 0.004 0.000 0.978 278 K HN 0.268 nan 8.250 nan 0.000 0.472 279 T N -1.067 113.503 114.554 0.026 0.000 2.847 279 T HA 0.066 4.415 4.350 -0.001 0.000 0.279 279 T C 1.438 176.176 174.700 0.064 0.000 0.984 279 T CA -0.574 61.552 62.100 0.043 0.000 0.988 279 T CB 0.893 69.793 68.868 0.054 0.000 1.040 279 T HN 0.503 nan 8.240 nan 0.000 0.528 280 T N 1.370 115.975 114.554 0.086 0.000 2.665 280 T HA -0.143 4.206 4.350 -0.001 0.000 0.268 280 T C 2.404 177.242 174.700 0.230 0.000 1.035 280 T CA 1.623 63.805 62.100 0.137 0.000 1.151 280 T CB -1.006 67.968 68.868 0.176 0.000 0.862 280 T HN 0.823 nan 8.240 nan 0.000 0.438 281 A N 1.476 124.407 122.820 0.185 0.000 1.908 281 A HA -0.180 4.139 4.320 -0.001 0.000 0.218 281 A C 2.250 179.941 177.584 0.178 0.000 1.181 281 A CA 1.848 53.990 52.037 0.176 0.000 0.627 281 A CB -0.597 18.476 19.000 0.122 0.000 0.818 281 A HN 0.606 nan 8.150 nan 0.000 0.445 282 E N -0.722 119.561 120.200 0.138 0.000 2.107 282 E HA -0.105 4.244 4.350 -0.001 0.000 0.191 282 E C 1.826 178.522 176.600 0.159 0.000 0.982 282 E CA 0.685 57.170 56.400 0.141 0.000 0.809 282 E CB -0.131 29.632 29.700 0.105 0.000 0.756 282 E HN 0.377 nan 8.360 nan 0.000 0.459 283 L N -0.060 121.228 121.223 0.109 0.000 2.046 283 L HA -0.175 4.164 4.340 -0.001 0.000 0.208 283 L C 2.012 178.935 176.870 0.089 0.000 1.077 283 L CA 1.744 56.616 54.840 0.053 0.000 0.747 283 L CB -1.131 40.888 42.059 -0.067 0.000 0.896 283 L HN 0.251 nan 8.230 nan 0.000 0.432 284 Y N -1.234 119.146 120.300 0.133 0.000 2.200 284 Y HA -0.271 4.279 4.550 -0.001 0.000 0.290 284 Y C 2.775 178.734 175.900 0.100 0.000 1.137 284 Y CA 1.219 59.402 58.100 0.139 0.000 1.163 284 Y CB -0.148 38.406 38.460 0.156 0.000 0.988 284 Y HN 0.068 nan 8.280 nan 0.000 0.518 285 M N -0.443 119.289 119.600 0.221 0.000 2.073 285 M HA -0.336 4.143 4.480 -0.001 0.000 0.258 285 M C 2.447 178.806 176.300 0.098 0.000 1.070 285 M CA 2.131 57.454 55.300 0.037 0.000 1.103 285 M CB -0.311 32.372 32.600 0.138 0.000 1.321 285 M HN 0.342 nan 8.290 nan 0.000 0.405 286 A N 0.455 123.461 122.820 0.309 0.000 1.908 286 A HA -0.178 4.142 4.320 -0.001 0.000 0.218 286 A C 1.790 179.706 177.584 0.553 0.000 1.181 286 A CA 1.934 54.259 52.037 0.480 0.000 0.627 286 A CB -1.226 18.130 19.000 0.594 0.000 0.818 286 A HN 0.787 nan 8.150 nan 0.000 0.445 287 I N -4.460 116.389 120.570 0.465 0.000 3.749 287 I HA 0.479 4.649 4.170 -0.001 0.000 0.314 287 I C 1.179 177.561 176.117 0.441 0.000 1.267 287 I CA 0.685 62.273 61.300 0.481 0.000 1.169 287 I CB -0.205 38.030 38.000 0.392 0.000 1.009 287 I HN 0.369 nan 8.210 nan 0.000 0.444 288 G N 0.725 109.724 108.800 0.331 0.000 2.213 288 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.236 288 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.236 288 G C 0.317 175.374 174.900 0.263 0.000 0.991 288 G CA -0.007 45.281 45.100 0.313 0.000 0.629 288 G HN 0.480 nan 8.290 nan 0.000 0.517 289 C N 2.839 122.274 119.300 0.226 0.000 2.518 289 C HA 0.435 4.894 4.460 -0.001 0.000 0.456 289 C C 1.985 176.985 174.990 0.016 0.000 1.016 289 C CA 0.383 59.479 59.018 0.129 0.000 1.210 289 C CB -0.972 26.892 27.740 0.206 0.000 1.542 289 C HN 0.760 nan 8.230 nan 0.000 0.545 290 Q N 1.470 121.204 119.800 -0.110 0.000 2.137 290 Q HA -0.023 4.317 4.340 -0.001 0.000 0.198 290 Q C 1.958 177.874 176.000 -0.140 0.000 0.960 290 Q CA 0.946 56.627 55.803 -0.202 0.000 0.847 290 Q CB 0.012 28.588 28.738 -0.271 0.000 0.915 290 Q HN 0.469 nan 8.270 nan 0.000 0.448 291 K N 0.225 120.496 120.400 -0.215 0.000 2.155 291 K HA -0.128 4.191 4.320 -0.001 0.000 0.203 291 K C 2.043 178.549 176.600 -0.156 0.000 1.052 291 K CA 1.248 57.338 56.287 -0.327 0.000 0.948 291 K CB -0.210 31.729 32.500 -0.935 0.000 0.728 291 K HN 0.484 nan 8.250 nan 0.000 0.448 292 H N 0.178 119.138 119.070 -0.184 0.000 2.436 292 H HA 0.072 4.628 4.556 -0.001 0.000 0.294 292 H C 1.644 176.861 175.328 -0.186 0.000 1.048 292 H CA 0.960 56.887 56.048 -0.202 0.000 1.353 292 H CB 0.446 30.007 29.762 -0.335 0.000 1.414 292 H HN 0.107 nan 8.280 nan 0.000 0.536 293 A N 1.379 124.121 122.820 -0.131 0.000 1.972 293 A HA -0.180 4.139 4.320 -0.001 0.000 0.219 293 A C 2.427 179.994 177.584 -0.028 0.000 1.169 293 A CA 1.634 53.643 52.037 -0.046 0.000 0.635 293 A CB -0.473 18.557 19.000 0.050 0.000 0.810 293 A HN 0.430 nan 8.150 nan 0.000 0.446 294 K N -0.870 119.508 120.400 -0.037 0.000 2.025 294 K HA -0.120 4.200 4.320 -0.001 0.000 0.207 294 K C 2.050 178.719 176.600 0.116 0.000 1.049 294 K CA 1.800 58.113 56.287 0.044 0.000 0.933 294 K CB -0.375 32.070 32.500 -0.093 0.000 0.714 294 K HN 0.404 nan 8.250 nan 0.000 0.438 295 T N 1.658 116.196 114.554 -0.026 0.000 2.665 295 T HA -0.155 4.195 4.350 -0.001 0.000 0.268 295 T C 1.556 176.262 174.700 0.011 0.000 1.035 295 T CA 1.567 63.660 62.100 -0.011 0.000 1.151 295 T CB -0.199 68.571 68.868 -0.163 0.000 0.862 295 T HN 0.321 nan 8.240 nan 0.000 0.438 296 E N 1.268 121.384 120.200 -0.140 0.000 2.031 296 E HA -0.111 4.238 4.350 -0.001 0.000 0.193 296 E C 2.764 179.417 176.600 0.090 0.000 0.994 296 E CA 1.556 57.919 56.400 -0.062 0.000 0.800 296 E CB -0.539 29.102 29.700 -0.098 0.000 0.752 296 E HN 0.652 nan 8.360 nan 0.000 0.447 297 S N 0.807 116.591 115.700 0.140 0.000 2.374 297 S HA -0.248 4.221 4.470 -0.001 0.000 0.227 297 S C 2.146 176.930 174.600 0.307 0.000 1.037 297 S CA 1.389 59.717 58.200 0.213 0.000 1.024 297 S CB -0.899 62.428 63.200 0.211 0.000 0.861 297 S HN 0.333 nan 8.310 nan 0.000 0.456 298 Y N 3.135 123.587 120.300 0.254 0.000 2.224 298 Y HA -0.071 4.478 4.550 -0.001 0.000 0.289 298 Y C 2.436 178.467 175.900 0.220 0.000 1.146 298 Y CA 1.455 59.727 58.100 0.287 0.000 1.182 298 Y CB -0.363 38.277 38.460 0.300 0.000 0.983 298 Y HN 0.168 nan 8.280 nan 0.000 0.524 299 R N 0.260 120.751 120.500 -0.015 0.000 2.070 299 R HA -0.164 4.175 4.340 -0.001 0.000 0.233 299 R C 2.157 178.462 176.300 0.008 0.000 1.137 299 R CA 1.926 57.959 56.100 -0.112 0.000 0.945 299 R CB -0.492 29.818 30.300 0.016 0.000 0.845 299 R HN 0.478 nan 8.270 nan 0.000 0.430 300 E N 0.069 120.336 120.200 0.112 0.000 2.160 300 E HA -0.262 4.087 4.350 -0.001 0.000 0.195 300 E C 1.798 178.526 176.600 0.212 0.000 0.991 300 E CA 1.336 57.834 56.400 0.164 0.000 0.810 300 E CB -0.297 29.512 29.700 0.182 0.000 0.742 300 E HN 0.393 nan 8.360 nan 0.000 0.466 301 Y N 1.692 122.056 120.300 0.107 0.000 2.089 301 Y HA -0.232 4.317 4.550 -0.002 0.000 0.282 301 Y C 2.079 177.940 175.900 -0.064 0.000 1.139 301 Y CA 1.187 59.327 58.100 0.067 0.000 1.123 301 Y CB -0.508 38.044 38.460 0.152 0.000 0.980 301 Y HN -0.071 nan 8.280 nan 0.000 0.493 302 L N -0.222 120.689 121.223 -0.521 0.000 2.129 302 L HA -0.206 4.133 4.340 -0.001 0.000 0.212 302 L C 2.500 179.211 176.870 -0.266 0.000 1.087 302 L CA 1.410 55.920 54.840 -0.551 0.000 0.757 302 L CB -1.055 40.741 42.059 -0.438 0.000 0.896 302 L HN 0.265 nan 8.230 nan 0.000 0.434 303 V N -2.123 117.731 119.914 -0.100 0.000 2.548 303 V HA -0.285 3.834 4.120 -0.001 0.000 0.249 303 V C 2.105 178.171 176.094 -0.045 0.000 1.055 303 V CA 1.324 63.611 62.300 -0.021 0.000 1.065 303 V CB -0.611 31.249 31.823 0.061 0.000 0.681 303 V HN 0.473 nan 8.190 nan 0.000 0.462 304 Y N 0.190 120.392 120.300 -0.162 0.000 2.184 304 Y HA -0.195 4.354 4.550 -0.001 0.000 0.290 304 Y C 2.215 177.944 175.900 -0.285 0.000 1.129 304 Y CA 1.752 59.744 58.100 -0.180 0.000 1.144 304 Y CB -0.137 38.217 38.460 -0.177 0.000 0.995 304 Y HN 0.190 nan 8.280 nan 0.000 0.513 305 L N 0.769 121.796 121.223 -0.327 0.000 2.042 305 L HA -0.253 4.086 4.340 -0.001 0.000 0.210 305 L C 2.377 179.047 176.870 -0.334 0.000 1.076 305 L CA 2.365 56.945 54.840 -0.434 0.000 0.749 305 L CB -0.725 40.949 42.059 -0.642 0.000 0.893 305 L HN 0.537 nan 8.230 nan 0.000 0.432 306 Q N -1.604 118.045 119.800 -0.253 0.000 2.378 306 Q HA 0.075 4.414 4.340 -0.001 0.000 0.205 306 Q C 1.635 177.538 176.000 -0.161 0.000 0.954 306 Q CA 1.345 57.054 55.803 -0.157 0.000 0.901 306 Q CB -0.851 27.826 28.738 -0.102 0.000 0.981 306 Q HN 0.296 nan 8.270 nan 0.000 0.483 307 G N -0.197 108.466 108.800 -0.229 0.000 3.189 307 G HA2 0.257 4.216 3.960 -0.001 0.000 0.225 307 G HA3 0.257 4.216 3.960 -0.001 0.000 0.225 307 G C 0.121 174.854 174.900 -0.278 0.000 1.159 307 G CA 0.256 45.223 45.100 -0.221 0.000 0.763 307 G HN 0.548 nan 8.290 nan 0.000 0.549 308 C N -0.941 118.165 119.300 -0.324 0.000 3.318 308 C HA 0.761 5.220 4.460 -0.001 0.000 0.329 308 C C -0.246 174.635 174.990 -0.183 0.000 1.449 308 C CA -1.065 57.775 59.018 -0.297 0.000 1.397 308 C CB 1.456 28.904 27.740 -0.486 0.000 1.810 308 C HN 0.354 nan 8.230 nan 0.000 0.449 309 N N -0.033 118.591 118.700 -0.127 0.000 2.646 309 N HA 0.263 5.002 4.740 -0.001 0.000 0.303 309 N C -0.951 174.534 175.510 -0.042 0.000 1.921 309 N CA -0.393 52.621 53.050 -0.060 0.000 0.872 309 N CB 0.564 39.030 38.487 -0.035 0.000 1.327 309 N HN 0.644 nan 8.380 nan 0.000 0.492 310 E N 1.031 121.192 120.200 -0.066 0.000 2.254 310 E HA 0.345 4.694 4.350 -0.001 0.000 0.261 310 E C -0.428 176.149 176.600 -0.039 0.000 1.051 310 E CA -0.264 56.113 56.400 -0.038 0.000 0.902 310 E CB 1.916 31.600 29.700 -0.025 0.000 1.168 310 E HN 0.363 nan 8.360 nan 0.000 0.423 311 Q N 0.206 119.997 119.800 -0.015 0.000 2.348 311 Q HA 0.366 4.705 4.340 -0.001 0.000 0.271 311 Q C -0.778 175.218 176.000 -0.007 0.000 1.067 311 Q CA -0.842 54.976 55.803 0.026 0.000 0.839 311 Q CB 1.399 30.184 28.738 0.079 0.000 1.354 311 Q HN 0.334 nan 8.270 nan 0.000 0.447 312 F N 2.697 122.683 119.950 0.059 0.000 2.571 312 F HA 0.088 4.615 4.527 -0.001 0.000 0.384 312 F C 0.620 176.441 175.800 0.035 0.000 1.058 312 F CA 0.145 58.175 58.000 0.050 0.000 1.200 312 F CB 0.045 39.000 39.000 -0.075 0.000 1.077 312 F HN 0.302 nan 8.300 nan 0.000 0.558 313 I N -0.223 120.490 120.570 0.239 0.000 2.846 313 I HA 0.500 4.669 4.170 -0.001 0.000 0.307 313 I C -0.288 175.970 176.117 0.235 0.000 1.053 313 I CA -1.147 60.259 61.300 0.177 0.000 1.050 313 I CB 1.719 39.792 38.000 0.122 0.000 1.239 313 I HN 0.419 nan 8.210 nan 0.000 0.439 314 E N 2.593 122.899 120.200 0.178 0.000 2.442 314 E HA 0.257 4.606 4.350 -0.001 0.000 0.262 314 E C -0.201 176.496 176.600 0.162 0.000 1.004 314 E CA -0.277 56.237 56.400 0.190 0.000 0.928 314 E CB 0.924 30.700 29.700 0.127 0.000 0.937 314 E HN 0.791 nan 8.360 nan 0.000 0.446 315 A N 5.648 128.558 122.820 0.150 0.000 2.450 315 A HA 0.289 4.608 4.320 -0.001 0.000 0.255 315 A C -2.114 175.513 177.584 0.073 0.000 1.096 315 A CA -1.256 50.838 52.037 0.095 0.000 0.778 315 A CB -0.033 18.991 19.000 0.040 0.000 1.031 315 A HN 0.485 nan 8.150 nan 0.000 0.494 316 P HA 0.346 nan 4.420 nan 0.000 0.266 316 P C 0.792 178.138 177.300 0.077 0.000 1.186 316 P CA 1.739 64.882 63.100 0.073 0.000 0.767 316 P CB 0.316 32.059 31.700 0.072 0.000 0.820 317 G N 0.918 109.770 108.800 0.087 0.000 2.526 317 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.250 317 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.250 317 G C -0.835 174.121 174.900 0.094 0.000 1.289 317 G CA -0.782 44.380 45.100 0.102 0.000 0.947 317 G HN 0.508 nan 8.290 nan 0.000 0.517 318 I N 1.313 121.946 120.570 0.106 0.000 2.496 318 I HA 0.326 4.496 4.170 -0.001 0.000 0.285 318 I C 1.403 177.568 176.117 0.079 0.000 1.080 318 I CA -0.261 61.095 61.300 0.093 0.000 1.404 318 I CB 1.063 39.126 38.000 0.104 0.000 1.403 318 I HN 0.641 nan 8.210 nan 0.000 0.539 319 R N 4.650 125.191 120.500 0.068 0.000 2.623 319 R HA 0.191 4.531 4.340 -0.001 0.000 0.271 319 R C 0.279 176.609 176.300 0.050 0.000 1.043 319 R CA -0.109 56.027 56.100 0.060 0.000 1.083 319 R CB 0.446 30.782 30.300 0.060 0.000 0.974 319 R HN 0.845 nan 8.270 nan 0.000 0.436 320 G N 3.743 112.567 108.800 0.039 0.000 2.406 320 G HA2 0.075 4.034 3.960 -0.001 0.000 0.251 320 G HA3 0.075 4.034 3.960 -0.001 0.000 0.251 320 G C 0.720 175.634 174.900 0.023 0.000 1.271 320 G CA -0.679 44.432 45.100 0.019 0.000 0.859 320 G HN 0.597 nan 8.290 nan 0.000 0.540 321 M N 2.226 121.826 119.600 -0.000 0.000 2.349 321 M HA 0.026 4.505 4.480 -0.001 0.000 0.266 321 M C 2.076 178.358 176.300 -0.030 0.000 1.076 321 M CA 0.715 56.016 55.300 0.001 0.000 1.126 321 M CB -0.132 32.459 32.600 -0.016 0.000 1.392 321 M HN 0.399 nan 8.290 nan 0.000 0.440 322 V N -1.463 118.383 119.914 -0.114 0.000 3.013 322 V HA 0.170 4.289 4.120 -0.001 0.000 0.238 322 V C 0.965 177.028 176.094 -0.050 0.000 1.161 322 V CA 0.504 62.634 62.300 -0.284 0.000 1.170 322 V CB 0.332 31.850 31.823 -0.509 0.000 0.917 322 V HN 0.217 nan 8.190 nan 0.000 0.478 323 M N 0.854 120.439 119.600 -0.026 0.000 2.478 323 M HA 0.464 4.943 4.480 -0.001 0.000 0.327 323 M C -0.845 175.486 176.300 0.052 0.000 1.187 323 M CA -0.448 54.864 55.300 0.022 0.000 1.022 323 M CB 1.948 34.533 32.600 -0.023 0.000 1.629 323 M HN 0.012 nan 8.290 nan 0.000 0.461 324 L N 3.104 124.375 121.223 0.080 0.000 2.276 324 L HA 0.533 4.872 4.340 -0.001 0.000 0.286 324 L C -1.338 175.604 176.870 0.120 0.000 1.024 324 L CA -0.456 54.453 54.840 0.114 0.000 0.826 324 L CB 1.246 43.391 42.059 0.144 0.000 1.211 324 L HN 0.530 nan 8.230 nan 0.000 0.422 325 V N 7.600 127.578 119.914 0.106 0.000 2.407 325 V HA 0.584 4.703 4.120 -0.001 0.000 0.291 325 V C -0.820 175.363 176.094 0.148 0.000 1.018 325 V CA -0.468 61.849 62.300 0.030 0.000 0.842 325 V CB 1.490 33.274 31.823 -0.064 0.000 0.996 325 V HN 0.595 nan 8.190 nan 0.000 0.426 326 F N 3.689 123.704 119.950 0.108 0.000 2.631 326 F HA 0.980 5.506 4.527 -0.001 0.000 0.328 326 F C -0.374 175.614 175.800 0.312 0.000 1.067 326 F CA -0.484 57.611 58.000 0.159 0.000 0.969 326 F CB 1.960 41.028 39.000 0.114 0.000 1.332 326 F HN 0.548 nan 8.300 nan 0.000 0.490 327 T N 0.466 115.353 114.554 0.554 0.000 2.693 327 T HA 0.580 4.930 4.350 -0.001 0.000 0.304 327 T C -1.975 172.924 174.700 0.332 0.000 1.471 327 T CA -0.742 61.656 62.100 0.496 0.000 0.993 327 T CB 1.207 70.233 68.868 0.263 0.000 1.554 327 T HN 0.786 nan 8.240 nan 0.000 0.496 328 L N 2.535 123.872 121.223 0.191 0.000 2.322 328 L HA 0.435 4.774 4.340 -0.001 0.000 0.279 328 L C -1.525 175.413 176.870 0.114 0.000 1.036 328 L CA -2.223 52.617 54.840 -0.000 0.000 0.807 328 L CB 1.862 43.829 42.059 -0.155 0.000 1.226 328 L HN 0.510 nan 8.230 nan 0.000 0.433 329 P HA -0.163 nan 4.420 nan 0.000 0.217 329 P C 1.040 178.412 177.300 0.120 0.000 1.148 329 P CA 1.193 64.351 63.100 0.097 0.000 0.834 329 P CB 0.288 32.032 31.700 0.074 0.000 0.783 330 G N -3.663 105.253 108.800 0.194 0.000 3.062 330 G HA2 0.051 4.010 3.960 -0.001 0.000 0.228 330 G HA3 0.051 4.010 3.960 -0.001 0.000 0.228 330 G C -0.010 174.980 174.900 0.151 0.000 1.094 330 G CA -0.103 45.130 45.100 0.222 0.000 0.782 330 G HN 0.086 nan 8.290 nan 0.000 0.541 331 F N 3.078 122.908 119.950 -0.200 0.000 2.459 331 F HA 0.239 4.766 4.527 -0.001 0.000 0.346 331 F C 0.989 176.625 175.800 -0.273 0.000 1.128 331 F CA -1.797 55.902 58.000 -0.501 0.000 1.268 331 F CB 1.355 40.108 39.000 -0.411 0.000 1.161 331 F HN 0.184 nan 8.300 nan 0.000 0.583 332 D N 3.664 123.627 120.400 -0.729 0.000 2.395 332 D HA 0.075 4.714 4.640 -0.001 0.000 0.226 332 D C -0.212 175.642 176.300 -0.743 0.000 1.146 332 D CA 0.013 53.661 54.000 -0.587 0.000 0.830 332 D CB -0.217 40.316 40.800 -0.444 0.000 0.958 332 D HN 0.468 nan 8.370 nan 0.000 0.501 333 R N -0.305 119.639 120.500 -0.926 0.000 2.740 333 R HA 0.589 4.928 4.340 -0.001 0.000 0.273 333 R C -0.750 175.279 176.300 -0.452 0.000 0.998 333 R CA -1.161 54.488 56.100 -0.752 0.000 0.900 333 R CB 2.605 32.319 30.300 -0.976 0.000 1.223 333 R HN -0.003 nan 8.270 nan 0.000 0.466 334 V N -1.029 118.615 119.914 -0.451 0.000 2.667 334 V HA 0.698 4.817 4.120 -0.001 0.000 0.308 334 V C -0.880 174.874 176.094 -0.568 0.000 1.048 334 V CA -0.915 61.188 62.300 -0.329 0.000 0.928 334 V CB 1.348 33.018 31.823 -0.256 0.000 1.004 334 V HN 0.501 nan 8.190 nan 0.000 0.444 335 F N 1.964 121.580 119.950 -0.557 0.000 2.427 335 F HA 0.694 5.220 4.527 -0.001 0.000 0.346 335 F C 0.461 175.867 175.800 -0.656 0.000 1.120 335 F CA -0.776 56.765 58.000 -0.765 0.000 1.033 335 F CB 1.708 39.897 39.000 -1.352 0.000 1.126 335 F HN 0.450 nan 8.300 nan 0.000 0.462 336 K N 3.190 123.460 120.400 -0.218 0.000 2.394 336 K HA 0.619 4.938 4.320 -0.001 0.000 0.260 336 K C -1.228 175.357 176.600 -0.027 0.000 0.967 336 K CA -0.839 55.387 56.287 -0.101 0.000 0.855 336 K CB 2.652 35.116 32.500 -0.060 0.000 1.101 336 K HN 0.500 nan 8.250 nan 0.000 0.433 337 V N 4.417 124.338 119.914 0.012 0.000 2.555 337 V HA 0.481 4.601 4.120 -0.001 0.000 0.302 337 V C -0.472 175.676 176.094 0.090 0.000 1.038 337 V CA -0.896 61.428 62.300 0.040 0.000 0.887 337 V CB 1.030 32.901 31.823 0.080 0.000 0.991 337 V HN 0.667 nan 8.190 nan 0.000 0.434 338 I N 5.961 126.604 120.570 0.122 0.000 2.517 338 I HA 0.252 4.422 4.170 -0.001 0.000 0.285 338 I C 0.756 177.000 176.117 0.210 0.000 1.106 338 I CA -0.076 61.343 61.300 0.198 0.000 1.402 338 I CB 0.358 38.507 38.000 0.248 0.000 1.399 338 I HN 0.636 nan 8.210 nan 0.000 0.535 339 K N 4.528 125.096 120.400 0.280 0.000 2.276 339 K HA 0.012 4.332 4.320 -0.001 0.000 0.259 339 K C 0.547 177.198 176.600 0.086 0.000 1.001 339 K CA -0.327 56.082 56.287 0.204 0.000 0.927 339 K CB 0.651 33.300 32.500 0.248 0.000 0.969 339 K HN 0.477 nan 8.250 nan 0.000 0.490 340 D N 0.932 121.333 120.400 0.001 0.000 2.144 340 D HA -0.084 4.555 4.640 -0.001 0.000 0.200 340 D C 0.051 176.216 176.300 -0.225 0.000 0.978 340 D CA 1.462 55.403 54.000 -0.098 0.000 0.833 340 D CB 0.185 40.953 40.800 -0.053 0.000 0.961 340 D HN 0.156 nan 8.370 nan 0.000 0.470 341 K N -0.182 120.136 120.400 -0.136 0.000 2.426 341 K HA 0.272 4.591 4.320 -0.001 0.000 0.254 341 K C -1.288 175.339 176.600 0.046 0.000 0.936 341 K CA -0.478 55.726 56.287 -0.138 0.000 0.801 341 K CB 0.916 33.389 32.500 -0.044 0.000 1.139 341 K HN -0.347 nan 8.250 nan 0.000 0.424 342 F N 1.827 121.788 119.950 0.018 0.000 2.378 342 F HA 0.530 5.056 4.527 -0.001 0.000 0.325 342 F C 0.868 176.679 175.800 0.017 0.000 1.097 342 F CA -1.664 56.347 58.000 0.019 0.000 1.079 342 F CB 0.816 39.825 39.000 0.015 0.000 1.240 342 F HN 0.621 nan 8.300 nan 0.000 0.519 343 A N 3.469 126.423 122.820 0.224 0.000 2.565 343 A HA 0.178 4.497 4.320 -0.001 0.000 0.237 343 A C -1.572 176.079 177.584 0.112 0.000 1.053 343 A CA -0.772 51.338 52.037 0.122 0.000 0.755 343 A CB -0.572 18.472 19.000 0.073 0.000 0.980 343 A HN 0.592 nan 8.150 nan 0.000 0.506 344 P HA -0.235 nan 4.420 nan 0.000 0.217 344 P C 1.214 178.551 177.300 0.061 0.000 1.148 344 P CA 1.649 64.790 63.100 0.068 0.000 0.828 344 P CB 0.063 31.793 31.700 0.050 0.000 0.783 345 Q N -0.633 119.198 119.800 0.052 0.000 2.472 345 Q HA -0.002 4.337 4.340 -0.001 0.000 0.208 345 Q C 0.267 176.285 176.000 0.031 0.000 0.958 345 Q CA 0.877 56.702 55.803 0.037 0.000 0.932 345 Q CB -0.339 28.418 28.738 0.032 0.000 1.007 345 Q HN 0.302 nan 8.270 nan 0.000 0.508 346 K N 1.774 122.203 120.400 0.047 0.000 2.264 346 K HA 0.208 4.527 4.320 -0.001 0.000 0.277 346 K C 0.151 176.808 176.600 0.096 0.000 1.067 346 K CA -0.186 56.122 56.287 0.036 0.000 0.900 346 K CB 1.149 33.640 32.500 -0.015 0.000 1.124 346 K HN 0.090 nan 8.250 nan 0.000 0.469 347 E N 2.515 122.745 120.200 0.051 0.000 2.481 347 E HA 0.026 4.375 4.350 -0.001 0.000 0.198 347 E C 0.931 177.565 176.600 0.057 0.000 1.027 347 E CA 0.083 56.517 56.400 0.057 0.000 0.900 347 E CB 0.363 30.076 29.700 0.022 0.000 0.993 347 E HN 0.577 nan 8.360 nan 0.000 0.482 348 M N 0.742 120.372 119.600 0.049 0.000 2.157 348 M HA 0.222 4.702 4.480 -0.001 0.000 0.304 348 M C 0.504 176.943 176.300 0.232 0.000 1.171 348 M CA -0.027 55.279 55.300 0.011 0.000 1.157 348 M CB 0.347 32.841 32.600 -0.176 0.000 1.403 348 M HN -0.192 nan 8.290 nan 0.000 0.473 349 S N 0.414 116.239 115.700 0.208 0.000 2.690 349 S HA 0.691 5.161 4.470 -0.001 0.000 0.291 349 S C 0.934 175.742 174.600 0.347 0.000 1.138 349 S CA -0.369 57.966 58.200 0.225 0.000 1.013 349 S CB 1.478 64.762 63.200 0.140 0.000 1.053 349 S HN 0.889 nan 8.310 nan 0.000 0.539 350 A N 1.555 124.503 122.820 0.214 0.000 1.940 350 A HA 0.122 4.441 4.320 -0.001 0.000 0.219 350 A C 2.337 180.042 177.584 0.201 0.000 1.176 350 A CA 1.927 54.105 52.037 0.236 0.000 0.631 350 A CB -1.664 17.378 19.000 0.071 0.000 0.814 350 A HN 1.394 nan 8.150 nan 0.000 0.446 351 A N -1.228 121.681 122.820 0.148 0.000 1.930 351 A HA -0.158 4.161 4.320 -0.001 0.000 0.217 351 A C 1.985 179.663 177.584 0.157 0.000 1.175 351 A CA 1.934 54.041 52.037 0.118 0.000 0.627 351 A CB -0.843 18.206 19.000 0.081 0.000 0.815 351 A HN 0.805 nan 8.150 nan 0.000 0.443 352 H N -0.664 118.472 119.070 0.110 0.000 2.357 352 H HA -0.078 4.477 4.556 -0.001 0.000 0.301 352 H C 1.885 177.286 175.328 0.123 0.000 1.082 352 H CA 1.829 57.939 56.048 0.103 0.000 1.342 352 H CB 0.027 29.848 29.762 0.098 0.000 1.389 352 H HN 0.160 nan 8.280 nan 0.000 0.511 353 V N 0.986 121.115 119.914 0.360 0.000 2.255 353 V HA -0.287 3.832 4.120 -0.001 0.000 0.247 353 V C 2.476 178.739 176.094 0.282 0.000 1.051 353 V CA 2.247 64.731 62.300 0.306 0.000 1.018 353 V CB -0.519 31.457 31.823 0.256 0.000 0.641 353 V HN 0.444 nan 8.190 nan 0.000 0.445 354 R N 0.119 120.758 120.500 0.233 0.000 2.096 354 R HA -0.206 4.133 4.340 -0.001 0.000 0.240 354 R C 2.472 178.888 176.300 0.194 0.000 1.139 354 R CA 1.645 57.886 56.100 0.235 0.000 0.952 354 R CB -0.760 29.627 30.300 0.146 0.000 0.854 354 R HN 0.556 nan 8.270 nan 0.000 0.436 355 A N 0.908 123.785 122.820 0.096 0.000 1.873 355 A HA -0.237 4.082 4.320 -0.001 0.000 0.218 355 A C 2.502 180.075 177.584 -0.019 0.000 1.193 355 A CA 1.776 53.817 52.037 0.007 0.000 0.629 355 A CB -1.088 17.847 19.000 -0.108 0.000 0.826 355 A HN 0.502 nan 8.150 nan 0.000 0.447 356 C N -2.412 116.874 119.300 -0.022 0.000 2.398 356 C HA -0.166 4.294 4.460 -0.001 0.000 0.276 356 C C 2.535 177.489 174.990 -0.059 0.000 1.222 356 C CA 1.162 60.154 59.018 -0.043 0.000 1.746 356 C CB -1.694 26.097 27.740 0.084 0.000 2.039 356 C HN 0.685 nan 8.230 nan 0.000 0.470 357 Y N 0.472 120.742 120.300 -0.050 0.000 2.200 357 Y HA -0.194 4.356 4.550 -0.001 0.000 0.290 357 Y C 2.669 178.518 175.900 -0.085 0.000 1.137 357 Y CA 2.030 60.076 58.100 -0.090 0.000 1.163 357 Y CB -0.646 37.706 38.460 -0.181 0.000 0.988 357 Y HN 0.284 nan 8.280 nan 0.000 0.518 358 Q N 0.306 120.191 119.800 0.143 0.000 2.084 358 Q HA -0.154 4.186 4.340 -0.001 0.000 0.202 358 Q C 2.176 178.180 176.000 0.007 0.000 0.978 358 Q CA 1.423 57.286 55.803 0.100 0.000 0.844 358 Q CB -0.773 28.038 28.738 0.122 0.000 0.898 358 Q HN 0.456 nan 8.270 nan 0.000 0.426 359 L N -0.388 120.799 121.223 -0.060 0.000 1.990 359 L HA -0.136 4.203 4.340 -0.001 0.000 0.213 359 L C 2.078 178.848 176.870 -0.167 0.000 1.072 359 L CA 1.962 56.734 54.840 -0.112 0.000 0.755 359 L CB -1.304 40.613 42.059 -0.236 0.000 0.889 359 L HN 0.147 nan 8.230 nan 0.000 0.432 360 V N 0.263 119.970 119.914 -0.345 0.000 2.287 360 V HA -0.322 3.797 4.120 -0.001 0.000 0.248 360 V C 2.731 178.675 176.094 -0.249 0.000 1.053 360 V CA 2.168 64.189 62.300 -0.465 0.000 1.027 360 V CB -0.921 30.300 31.823 -1.003 0.000 0.646 360 V HN 0.556 nan 8.190 nan 0.000 0.447 361 K N 1.852 122.155 120.400 -0.162 0.000 2.020 361 K HA -0.226 4.093 4.320 -0.001 0.000 0.212 361 K C 1.423 177.995 176.600 -0.046 0.000 1.050 361 K CA 2.073 58.327 56.287 -0.056 0.000 0.929 361 K CB -0.395 32.131 32.500 0.043 0.000 0.714 361 K HN 0.769 nan 8.250 nan 0.000 0.443 362 E N -0.274 119.916 120.200 -0.017 0.000 2.280 362 E HA 0.124 4.473 4.350 -0.001 0.000 0.279 362 E C -0.800 175.813 176.600 0.021 0.000 1.325 362 E CA -0.369 56.020 56.400 -0.018 0.000 1.486 362 E CB -0.235 29.451 29.700 -0.024 0.000 1.466 362 E HN 0.382 nan 8.360 nan 0.000 0.473 363 H N -0.136 118.859 119.070 -0.124 0.000 3.037 363 H HA 0.166 4.721 4.556 -0.001 0.000 0.355 363 H C -1.566 173.670 175.328 -0.153 0.000 1.263 363 H CA -0.961 55.020 56.048 -0.111 0.000 1.129 363 H CB 1.771 31.469 29.762 -0.106 0.000 1.861 363 H HN 0.168 nan 8.280 nan 0.000 0.546 364 D N 1.654 121.858 120.400 -0.327 0.000 2.348 364 D HA 0.057 4.696 4.640 -0.001 0.000 0.259 364 D C 0.781 177.071 176.300 -0.018 0.000 1.296 364 D CA 0.159 54.044 54.000 -0.192 0.000 0.931 364 D CB 0.587 41.233 40.800 -0.256 0.000 1.067 364 D HN 0.410 nan 8.370 nan 0.000 0.503 365 R N 2.175 122.610 120.500 -0.108 0.000 2.189 365 R HA 0.007 4.346 4.340 -0.001 0.000 0.223 365 R C 1.205 177.424 176.300 -0.135 0.000 1.092 365 R CA 0.409 56.435 56.100 -0.123 0.000 0.989 365 R CB -0.082 30.095 30.300 -0.204 0.000 0.876 365 R HN 0.416 nan 8.270 nan 0.000 0.457 366 V N -1.071 118.748 119.914 -0.159 0.000 2.886 366 V HA -0.268 3.851 4.120 -0.001 0.000 0.162 366 V C 0.879 176.867 176.094 -0.177 0.000 0.448 366 V CA 1.108 63.311 62.300 -0.160 0.000 1.186 366 V CB -2.033 29.719 31.823 -0.118 0.000 1.373 366 V HN 0.591 nan 8.190 nan 0.000 1.100 367 G N -0.431 108.240 108.800 -0.216 0.000 2.160 367 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.251 367 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.251 367 G C 0.469 175.248 174.900 -0.201 0.000 1.008 367 G CA 0.639 45.594 45.100 -0.241 0.000 0.724 367 G HN 0.574 nan 8.290 nan 0.000 0.514 368 R N -1.314 119.089 120.500 -0.162 0.000 2.544 368 R HA 0.352 4.691 4.340 -0.001 0.000 0.303 368 R C 0.795 177.080 176.300 -0.025 0.000 0.939 368 R CA 0.490 56.543 56.100 -0.077 0.000 1.102 368 R CB 0.273 30.537 30.300 -0.059 0.000 1.440 368 R HN 0.548 nan 8.270 nan 0.000 0.532 369 M N 0.161 119.711 119.600 -0.083 0.000 2.326 369 M HA 0.541 5.020 4.480 -0.001 0.000 0.306 369 M C -0.348 175.925 176.300 -0.046 0.000 1.054 369 M CA -0.893 54.397 55.300 -0.017 0.000 0.922 369 M CB 2.492 35.037 32.600 -0.092 0.000 1.632 369 M HN -0.129 nan 8.290 nan 0.000 0.436 370 A N 1.760 124.647 122.820 0.112 0.000 2.498 370 A HA 0.197 4.516 4.320 -0.001 0.000 0.239 370 A C -0.385 177.294 177.584 0.158 0.000 1.068 370 A CA 0.046 52.213 52.037 0.217 0.000 0.766 370 A CB 0.058 19.228 19.000 0.283 0.000 1.003 370 A HN 0.823 nan 8.150 nan 0.000 0.497 371 D N 0.150 120.684 120.400 0.223 0.000 2.313 371 D HA 0.477 5.116 4.640 -0.001 0.000 0.247 371 D C -0.202 176.200 176.300 0.169 0.000 1.094 371 D CA 0.668 54.767 54.000 0.166 0.000 0.925 371 D CB 0.804 41.744 40.800 0.233 0.000 1.188 371 D HN 0.355 nan 8.370 nan 0.000 0.430 372 T N 2.558 117.209 114.554 0.162 0.000 2.841 372 T HA 0.340 4.689 4.350 -0.001 0.000 0.283 372 T C -0.888 173.947 174.700 0.224 0.000 1.000 372 T CA -0.532 61.686 62.100 0.196 0.000 0.977 372 T CB 1.206 70.202 68.868 0.213 0.000 0.979 372 T HN 0.284 nan 8.240 nan 0.000 0.446 373 Q N 2.326 122.266 119.800 0.232 0.000 2.357 373 Q HA 0.298 4.637 4.340 -0.001 0.000 0.266 373 Q C -0.790 175.366 176.000 0.259 0.000 1.021 373 Q CA -0.447 55.488 55.803 0.221 0.000 0.784 373 Q CB 1.808 30.701 28.738 0.258 0.000 1.243 373 Q HN 0.597 nan 8.270 nan 0.000 0.465 374 E N 3.039 123.320 120.200 0.135 0.000 2.194 374 E HA 0.280 4.629 4.350 -0.001 0.000 0.284 374 E C -1.353 175.153 176.600 -0.157 0.000 1.035 374 E CA -0.248 56.147 56.400 -0.007 0.000 0.836 374 E CB 0.611 30.345 29.700 0.057 0.000 1.070 374 E HN 0.321 nan 8.360 nan 0.000 0.401 375 F N 2.756 122.578 119.950 -0.214 0.000 2.507 375 F HA 0.301 4.827 4.527 -0.002 0.000 0.325 375 F C 0.112 175.828 175.800 -0.140 0.000 1.116 375 F CA -0.716 57.229 58.000 -0.092 0.000 0.930 375 F CB 1.832 40.893 39.000 0.102 0.000 1.146 375 F HN 0.372 nan 8.300 nan 0.000 0.447 376 E N 2.087 122.269 120.200 -0.030 0.000 2.175 376 E HA 0.277 4.626 4.350 -0.001 0.000 0.278 376 E C -0.677 175.946 176.600 0.039 0.000 0.969 376 E CA -0.743 55.610 56.400 -0.078 0.000 0.796 376 E CB 0.882 30.362 29.700 -0.366 0.000 1.104 376 E HN 0.653 nan 8.360 nan 0.000 0.395 377 N N 1.632 120.387 118.700 0.093 0.000 2.727 377 N HA -0.241 4.498 4.740 -0.001 0.000 0.251 377 N C -1.010 174.586 175.510 0.143 0.000 1.040 377 N CA -0.052 53.067 53.050 0.116 0.000 0.712 377 N CB -1.097 37.457 38.487 0.112 0.000 0.912 377 N HN 0.402 nan 8.380 nan 0.000 0.545 378 F N 1.194 121.168 119.950 0.040 0.000 2.502 378 F HA 0.192 4.718 4.527 -0.001 0.000 0.371 378 F C 0.663 176.472 175.800 0.015 0.000 1.083 378 F CA -0.340 57.673 58.000 0.021 0.000 1.174 378 F CB 0.536 39.520 39.000 -0.027 0.000 1.096 378 F HN -0.130 nan 8.300 nan 0.000 0.545 379 V N 7.941 127.731 119.914 -0.207 0.000 2.530 379 V HA 0.204 4.323 4.120 -0.001 0.000 0.282 379 V C 0.083 176.176 176.094 -0.002 0.000 1.048 379 V CA -0.374 61.885 62.300 -0.068 0.000 0.997 379 V CB 1.108 32.893 31.823 -0.062 0.000 0.987 379 V HN 0.570 nan 8.190 nan 0.000 0.477 380 L N 4.497 125.747 121.223 0.046 0.000 2.410 380 L HA 0.521 4.860 4.340 -0.001 0.000 0.270 380 L C -0.160 176.744 176.870 0.057 0.000 0.983 380 L CA -0.599 54.273 54.840 0.054 0.000 0.822 380 L CB 2.295 44.303 42.059 -0.085 0.000 1.285 380 L HN 0.592 nan 8.230 nan 0.000 0.409 381 E N 3.445 123.744 120.200 0.164 0.000 2.289 381 E HA 0.122 4.471 4.350 -0.001 0.000 0.278 381 E C 0.046 176.648 176.600 0.005 0.000 1.032 381 E CA -0.347 56.101 56.400 0.080 0.000 0.854 381 E CB 1.662 31.393 29.700 0.051 0.000 1.046 381 E HN 0.492 nan 8.360 nan 0.000 0.409 382 K N 2.228 122.597 120.400 -0.051 0.000 2.103 382 K HA -0.190 4.129 4.320 -0.001 0.000 0.207 382 K C 1.895 178.453 176.600 -0.069 0.000 1.048 382 K CA 1.307 57.560 56.287 -0.057 0.000 0.930 382 K CB -0.044 32.423 32.500 -0.054 0.000 0.716 382 K HN 0.400 nan 8.250 nan 0.000 0.444 383 R N 0.149 120.560 120.500 -0.149 0.000 2.105 383 R HA -0.160 4.179 4.340 -0.001 0.000 0.239 383 R C 1.832 178.069 176.300 -0.106 0.000 1.135 383 R CA 1.752 57.750 56.100 -0.171 0.000 0.967 383 R CB -0.749 29.388 30.300 -0.272 0.000 0.861 383 R HN 0.492 nan 8.270 nan 0.000 0.442 384 H N 0.494 119.611 119.070 0.079 0.000 2.495 384 H HA 0.141 4.696 4.556 -0.001 0.000 0.287 384 H C 0.385 175.846 175.328 0.222 0.000 1.033 384 H CA 0.112 56.264 56.048 0.174 0.000 1.307 384 H CB 0.109 30.069 29.762 0.330 0.000 1.401 384 H HN 0.073 nan 8.280 nan 0.000 0.555 385 I N 2.477 123.161 120.570 0.191 0.000 2.322 385 I HA 0.031 4.200 4.170 -0.001 0.000 0.292 385 I C 0.464 176.608 176.117 0.045 0.000 1.060 385 I CA -0.684 60.663 61.300 0.078 0.000 1.309 385 I CB 0.899 38.846 38.000 -0.087 0.000 1.415 385 I HN 0.175 nan 8.210 nan 0.000 0.492 386 S N 6.901 122.639 115.700 0.064 0.000 2.566 386 S HA 0.167 4.637 4.470 -0.001 0.000 0.280 386 S C -1.737 172.866 174.600 0.005 0.000 1.343 386 S CA -0.868 57.354 58.200 0.036 0.000 1.036 386 S CB 0.629 63.859 63.200 0.049 0.000 0.866 386 S HN 0.451 nan 8.310 nan 0.000 0.526 387 P HA 0.148 nan 4.420 nan 0.000 0.227 387 P C 1.351 178.648 177.300 -0.006 0.000 1.161 387 P CA 1.085 64.181 63.100 -0.007 0.000 0.788 387 P CB -0.220 31.478 31.700 -0.003 0.000 0.822 388 A N -0.193 122.630 122.820 0.005 0.000 1.933 388 A HA -0.152 4.167 4.320 -0.001 0.000 0.218 388 A C 2.082 179.669 177.584 0.004 0.000 1.175 388 A CA 1.409 53.453 52.037 0.011 0.000 0.628 388 A CB -1.525 17.490 19.000 0.024 0.000 0.814 388 A HN 0.182 nan 8.150 nan 0.000 0.444 389 L N -1.525 119.693 121.223 -0.009 0.000 2.049 389 L HA -0.008 4.331 4.340 -0.001 0.000 0.203 389 L C 2.375 179.196 176.870 -0.082 0.000 1.074 389 L CA 2.394 57.207 54.840 -0.045 0.000 0.749 389 L CB -0.579 41.432 42.059 -0.080 0.000 0.907 389 L HN 0.377 nan 8.230 nan 0.000 0.439 390 M N 0.061 119.611 119.600 -0.084 0.000 2.108 390 M HA -0.282 4.198 4.480 -0.001 0.000 0.257 390 M C 2.201 178.468 176.300 -0.055 0.000 1.071 390 M CA 2.029 57.277 55.300 -0.086 0.000 1.093 390 M CB -0.660 31.901 32.600 -0.065 0.000 1.345 390 M HN 0.496 nan 8.290 nan 0.000 0.403 391 E N -0.586 119.595 120.200 -0.033 0.000 2.077 391 E HA -0.211 4.138 4.350 -0.001 0.000 0.193 391 E C 2.121 178.714 176.600 -0.013 0.000 0.989 391 E CA 1.350 57.739 56.400 -0.018 0.000 0.800 391 E CB -0.308 29.388 29.700 -0.006 0.000 0.746 391 E HN 0.606 nan 8.360 nan 0.000 0.452 392 L N 0.720 121.936 121.223 -0.011 0.000 2.093 392 L HA -0.176 4.163 4.340 -0.001 0.000 0.208 392 L C 2.429 179.298 176.870 -0.001 0.000 1.085 392 L CA 0.792 55.634 54.840 0.004 0.000 0.755 392 L CB -0.149 41.920 42.059 0.017 0.000 0.904 392 L HN 0.306 nan 8.230 nan 0.000 0.435 393 L N -0.640 120.563 121.223 -0.033 0.000 1.994 393 L HA -0.269 4.070 4.340 -0.001 0.000 0.208 393 L C 2.469 179.326 176.870 -0.021 0.000 1.071 393 L CA 1.258 56.075 54.840 -0.038 0.000 0.745 393 L CB -0.455 41.544 42.059 -0.100 0.000 0.892 393 L HN 0.264 nan 8.230 nan 0.000 0.431 394 L N -0.725 120.481 121.223 -0.027 0.000 2.265 394 L HA -0.222 4.117 4.340 -0.001 0.000 0.215 394 L C 2.595 179.461 176.870 -0.007 0.000 1.117 394 L CA 1.025 55.854 54.840 -0.018 0.000 0.782 394 L CB -0.380 41.666 42.059 -0.021 0.000 0.914 394 L HN 0.415 nan 8.230 nan 0.000 0.441 395 Q N -0.365 119.435 119.800 -0.001 0.000 2.165 395 Q HA -0.140 4.199 4.340 -0.001 0.000 0.197 395 Q C 1.743 177.751 176.000 0.014 0.000 0.952 395 Q CA 0.952 56.759 55.803 0.007 0.000 0.848 395 Q CB 0.447 29.191 28.738 0.011 0.000 0.931 395 Q HN 0.315 nan 8.270 nan 0.000 0.470 396 E N -0.848 119.365 120.200 0.022 0.000 2.340 396 E HA 0.181 4.530 4.350 -0.001 0.000 0.198 396 E C 0.008 176.630 176.600 0.036 0.000 0.961 396 E CA 0.656 57.079 56.400 0.037 0.000 0.905 396 E CB 1.018 30.752 29.700 0.057 0.000 0.884 396 E HN 0.278 nan 8.360 nan 0.000 0.491 397 A N -0.352 122.484 122.820 0.026 0.000 2.616 397 A HA 0.629 4.948 4.320 -0.001 0.000 0.294 397 A C 1.525 179.115 177.584 0.010 0.000 1.091 397 A CA 0.479 52.532 52.037 0.027 0.000 0.971 397 A CB -0.064 18.959 19.000 0.039 0.000 1.222 397 A HN 0.161 nan 8.150 nan 0.000 0.521 398 A N 0.563 123.385 122.820 0.002 0.000 1.892 398 A HA -0.221 4.098 4.320 -0.001 0.000 0.218 398 A C 1.834 179.416 177.584 -0.003 0.000 1.188 398 A CA 1.936 53.971 52.037 -0.004 0.000 0.631 398 A CB -0.447 18.549 19.000 -0.006 0.000 0.822 398 A HN 0.607 nan 8.150 nan 0.000 0.447 399 E N -0.660 119.537 120.200 -0.005 0.000 2.070 399 E HA -0.250 4.100 4.350 -0.001 0.000 0.197 399 E C 2.007 178.610 176.600 0.005 0.000 1.004 399 E CA 1.769 58.166 56.400 -0.005 0.000 0.805 399 E CB -0.123 29.570 29.700 -0.012 0.000 0.744 399 E HN 0.482 nan 8.360 nan 0.000 0.451 400 K N 0.280 120.688 120.400 0.014 0.000 2.365 400 K HA 0.029 4.348 4.320 -0.001 0.000 0.199 400 K C 0.942 177.556 176.600 0.024 0.000 1.045 400 K CA 0.265 56.569 56.287 0.027 0.000 0.962 400 K CB -0.017 32.510 32.500 0.044 0.000 0.759 400 K HN 0.231 nan 8.250 nan 0.000 0.469 401 I N -1.705 118.872 120.570 0.011 0.000 2.460 401 I HA 0.362 4.531 4.170 -0.001 0.000 0.298 401 I C -0.962 175.156 176.117 0.002 0.000 0.989 401 I CA -0.437 60.866 61.300 0.004 0.000 1.173 401 I CB 2.266 40.257 38.000 -0.016 0.000 1.338 401 I HN -0.197 nan 8.210 nan 0.000 0.456 402 T N 3.518 118.075 114.554 0.004 0.000 2.848 402 T HA 0.272 4.621 4.350 -0.001 0.000 0.285 402 T C -0.902 173.797 174.700 -0.002 0.000 0.995 402 T CA -0.347 61.755 62.100 0.003 0.000 0.970 402 T CB 1.242 70.115 68.868 0.010 0.000 0.976 402 T HN 0.664 nan 8.240 nan 0.000 0.441 403 D N 2.362 122.758 120.400 -0.006 0.000 2.338 403 D HA 0.202 4.841 4.640 -0.001 0.000 0.255 403 D C -0.422 175.875 176.300 -0.005 0.000 1.237 403 D CA -0.135 53.859 54.000 -0.009 0.000 0.883 403 D CB 0.375 41.168 40.800 -0.012 0.000 1.087 403 D HN 0.385 nan 8.370 nan 0.000 0.485 404 L N 4.974 126.195 121.223 -0.004 0.000 2.637 404 L HA 0.398 4.737 4.340 -0.001 0.000 0.241 404 L C 0.980 177.849 176.870 -0.002 0.000 1.398 404 L CA -0.027 54.813 54.840 0.001 0.000 0.895 404 L CB -0.389 41.675 42.059 0.008 0.000 1.183 404 L HN 0.778 nan 8.230 nan 0.000 0.497 405 G N 1.584 110.380 108.800 -0.006 0.000 2.595 405 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.297 405 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.297 405 G C 0.597 175.489 174.900 -0.013 0.000 1.181 405 G CA 0.355 45.450 45.100 -0.008 0.000 0.963 405 G HN 0.468 nan 8.290 nan 0.000 0.541 406 E N 2.588 122.780 120.200 -0.014 0.000 2.489 406 E HA 0.143 4.492 4.350 -0.001 0.000 0.193 406 E C 1.252 177.839 176.600 -0.023 0.000 1.057 406 E CA 0.887 57.273 56.400 -0.023 0.000 0.866 406 E CB 0.209 29.893 29.700 -0.026 0.000 0.916 406 E HN 0.740 nan 8.360 nan 0.000 0.500 407 Q N 0.429 120.222 119.800 -0.012 0.000 2.433 407 Q HA 0.652 4.991 4.340 -0.001 0.000 0.279 407 Q C 0.114 176.108 176.000 -0.010 0.000 1.105 407 Q CA -0.889 54.911 55.803 -0.005 0.000 0.815 407 Q CB 2.533 31.278 28.738 0.012 0.000 1.403 407 Q HN 0.037 nan 8.270 nan 0.000 0.435 408 I N -2.626 117.936 120.570 -0.014 0.000 2.740 408 I HA 0.706 4.875 4.170 -0.001 0.000 0.303 408 I C -0.900 175.219 176.117 0.003 0.000 1.044 408 I CA -1.295 59.995 61.300 -0.016 0.000 1.064 408 I CB 2.034 40.008 38.000 -0.044 0.000 1.249 408 I HN 0.264 nan 8.210 nan 0.000 0.433 409 V N 6.007 125.929 119.914 0.013 0.000 2.357 409 V HA 0.396 4.515 4.120 -0.001 0.000 0.284 409 V C 0.167 176.289 176.094 0.047 0.000 1.018 409 V CA -0.382 61.941 62.300 0.038 0.000 0.841 409 V CB 1.373 33.219 31.823 0.039 0.000 0.991 409 V HN 0.529 nan 8.190 nan 0.000 0.437 410 I N 5.514 126.134 120.570 0.083 0.000 2.281 410 I HA 0.270 4.439 4.170 -0.001 0.000 0.293 410 I C 1.591 177.764 176.117 0.092 0.000 1.085 410 I CA -0.365 60.984 61.300 0.083 0.000 1.257 410 I CB 0.880 38.941 38.000 0.101 0.000 1.430 410 I HN 0.640 nan 8.210 nan 0.000 0.489 411 R N 4.313 124.856 120.500 0.071 0.000 2.159 411 R HA -0.188 4.151 4.340 -0.001 0.000 0.249 411 R C 0.607 176.972 176.300 0.109 0.000 1.136 411 R CA 1.971 58.117 56.100 0.076 0.000 0.951 411 R CB -0.069 30.268 30.300 0.061 0.000 0.876 411 R HN 0.657 nan 8.270 nan 0.000 0.440 412 H N -1.133 117.913 119.070 -0.041 0.000 3.083 412 H HA 0.366 4.921 4.556 -0.001 0.000 0.339 412 H C -1.964 173.256 175.328 -0.180 0.000 1.020 412 H CA -0.668 55.306 56.048 -0.124 0.000 1.360 412 H CB 0.675 30.347 29.762 -0.150 0.000 1.811 412 H HN 0.176 nan 8.280 nan 0.000 0.493 413 L N 4.756 125.553 121.223 -0.711 0.000 2.424 413 L HA 0.553 4.893 4.340 -0.001 0.000 0.258 413 L C -1.986 174.449 176.870 -0.725 0.000 0.995 413 L CA -0.765 53.749 54.840 -0.543 0.000 0.821 413 L CB 2.534 44.451 42.059 -0.236 0.000 1.383 413 L HN 0.462 nan 8.230 nan 0.000 0.410 414 Y N 3.384 123.504 120.300 -0.300 0.000 2.364 414 Y HA 0.599 5.149 4.550 -0.001 0.000 0.340 414 Y C -0.198 175.546 175.900 -0.259 0.000 0.975 414 Y CA -0.520 57.455 58.100 -0.208 0.000 1.089 414 Y CB 1.889 40.246 38.460 -0.171 0.000 1.192 414 Y HN 0.344 nan 8.280 nan 0.000 0.454 415 I N 3.167 123.701 120.570 -0.060 0.000 2.412 415 I HA 0.451 4.620 4.170 -0.001 0.000 0.296 415 I C -0.454 175.565 176.117 -0.164 0.000 0.987 415 I CA -0.574 60.531 61.300 -0.325 0.000 1.180 415 I CB 1.868 39.596 38.000 -0.454 0.000 1.340 415 I HN 0.627 nan 8.210 nan 0.000 0.455 416 E N 5.138 125.172 120.200 -0.277 0.000 2.372 416 E HA 0.332 4.681 4.350 -0.001 0.000 0.279 416 E C -0.942 175.475 176.600 -0.304 0.000 0.946 416 E CA -1.054 55.236 56.400 -0.183 0.000 0.769 416 E CB 1.908 31.535 29.700 -0.121 0.000 1.230 416 E HN 0.443 nan 8.360 nan 0.000 0.442 417 R N 2.506 122.821 120.500 -0.308 0.000 2.494 417 R HA -0.037 4.302 4.340 -0.001 0.000 0.291 417 R C -0.252 175.800 176.300 -0.413 0.000 0.953 417 R CA 0.473 56.268 56.100 -0.509 0.000 1.098 417 R CB 0.187 29.871 30.300 -1.026 0.000 0.911 417 R HN 0.476 nan 8.270 nan 0.000 0.407 418 R N 5.419 125.674 120.500 -0.408 0.000 2.267 418 R HA 0.229 4.568 4.340 -0.001 0.000 0.319 418 R C -0.435 175.730 176.300 -0.225 0.000 1.067 418 R CA -0.098 55.826 56.100 -0.293 0.000 0.936 418 R CB 0.462 30.599 30.300 -0.270 0.000 1.006 418 R HN 0.655 nan 8.270 nan 0.000 0.452 419 M N 3.103 122.630 119.600 -0.123 0.000 2.852 419 M HA 0.336 4.815 4.480 -0.001 0.000 0.301 419 M C -0.646 175.661 176.300 0.011 0.000 1.229 419 M CA -1.305 53.970 55.300 -0.041 0.000 0.832 419 M CB 1.689 34.322 32.600 0.055 0.000 1.726 419 M HN 0.298 nan 8.290 nan 0.000 0.497 420 V N 2.595 122.526 119.914 0.030 0.000 2.385 420 V HA 0.360 4.479 4.120 -0.001 0.000 0.269 420 V C -2.405 173.776 176.094 0.145 0.000 1.043 420 V CA -1.951 60.404 62.300 0.093 0.000 0.906 420 V CB 0.755 32.660 31.823 0.138 0.000 0.995 420 V HN 0.511 nan 8.190 nan 0.000 0.467 421 P HA 0.017 nan 4.420 nan 0.000 0.265 421 P C 0.896 178.348 177.300 0.254 0.000 1.187 421 P CA 0.244 63.510 63.100 0.277 0.000 0.766 421 P CB 0.596 32.458 31.700 0.269 0.000 0.820 422 L N 3.061 124.438 121.223 0.257 0.000 2.201 422 L HA -0.139 4.200 4.340 -0.001 0.000 0.212 422 L C 1.960 178.967 176.870 0.228 0.000 1.105 422 L CA 1.381 56.369 54.840 0.247 0.000 0.775 422 L CB -0.425 41.791 42.059 0.263 0.000 0.913 422 L HN 0.516 nan 8.230 nan 0.000 0.440 423 N N 0.528 119.383 118.700 0.259 0.000 2.244 423 N HA -0.223 4.516 4.740 -0.001 0.000 0.183 423 N C 1.690 177.299 175.510 0.166 0.000 1.016 423 N CA 1.333 54.517 53.050 0.224 0.000 0.866 423 N CB -0.321 38.311 38.487 0.241 0.000 0.980 423 N HN 0.410 nan 8.380 nan 0.000 0.430 424 I N -0.903 119.780 120.570 0.188 0.000 2.480 424 I HA -0.081 4.088 4.170 -0.001 0.000 0.251 424 I C 2.180 178.404 176.117 0.178 0.000 1.124 424 I CA 0.492 61.889 61.300 0.162 0.000 1.444 424 I CB -0.251 37.849 38.000 0.167 0.000 1.098 424 I HN 0.090 nan 8.210 nan 0.000 0.428 425 W N 1.643 122.959 121.300 0.027 0.000 2.358 425 W HA -0.169 4.490 4.660 -0.001 0.000 0.303 425 W C 2.220 178.719 176.519 -0.033 0.000 1.208 425 W CA 1.417 58.764 57.345 0.003 0.000 1.274 425 W CB -0.349 29.117 29.460 0.010 0.000 1.138 425 W HN 0.003 nan 8.180 nan 0.000 0.515 426 L N 0.052 121.321 121.223 0.077 0.000 2.353 426 L HA -0.180 4.160 4.340 -0.001 0.000 0.220 426 L C 2.098 178.908 176.870 -0.101 0.000 1.133 426 L CA 1.192 55.984 54.840 -0.079 0.000 0.798 426 L CB -0.719 41.252 42.059 -0.147 0.000 0.922 426 L HN 0.049 nan 8.230 nan 0.000 0.445 427 E N 0.040 120.205 120.200 -0.058 0.000 2.072 427 E HA -0.203 4.147 4.350 -0.001 0.000 0.190 427 E C 1.941 178.473 176.600 -0.113 0.000 0.982 427 E CA 1.006 57.371 56.400 -0.057 0.000 0.803 427 E CB 0.046 29.741 29.700 -0.010 0.000 0.755 427 E HN 0.589 nan 8.360 nan 0.000 0.453 428 Q N -0.059 119.634 119.800 -0.178 0.000 2.403 428 Q HA 0.115 4.454 4.340 -0.001 0.000 0.203 428 Q C -0.076 175.729 176.000 -0.326 0.000 0.932 428 Q CA 0.047 55.717 55.803 -0.222 0.000 0.945 428 Q CB 1.105 29.713 28.738 -0.217 0.000 1.045 428 Q HN 0.012 nan 8.270 nan 0.000 0.511 429 V N 0.705 120.379 119.914 -0.399 0.000 2.715 429 V HA 0.392 4.512 4.120 -0.001 0.000 0.310 429 V C -0.136 175.795 176.094 -0.271 0.000 1.054 429 V CA -0.477 61.544 62.300 -0.464 0.000 0.928 429 V CB 2.279 33.591 31.823 -0.853 0.000 1.007 429 V HN 0.088 nan 8.190 nan 0.000 0.437 430 E N 0.715 120.785 120.200 -0.216 0.000 2.449 430 E HA 0.531 4.880 4.350 -0.001 0.000 0.278 430 E C 0.298 176.835 176.600 -0.106 0.000 1.059 430 E CA 0.301 56.619 56.400 -0.136 0.000 0.854 430 E CB 2.138 31.776 29.700 -0.104 0.000 1.465 430 E HN 0.909 nan 8.360 nan 0.000 0.462 431 G N 1.350 110.106 108.800 -0.074 0.000 2.596 431 G HA2 -0.427 3.533 3.960 -0.001 0.000 0.304 431 G HA3 -0.427 3.533 3.960 -0.001 0.000 0.304 431 G C 0.856 175.728 174.900 -0.047 0.000 1.189 431 G CA 1.236 46.304 45.100 -0.053 0.000 0.986 431 G HN 0.488 nan 8.290 nan 0.000 0.548 432 Q N -0.273 119.505 119.800 -0.036 0.000 2.137 432 Q HA 0.121 4.461 4.340 -0.001 0.000 0.198 432 Q C 2.798 178.791 176.000 -0.011 0.000 0.960 432 Q CA 2.274 58.065 55.803 -0.021 0.000 0.847 432 Q CB -0.287 28.445 28.738 -0.010 0.000 0.915 432 Q HN 0.713 nan 8.270 nan 0.000 0.448 433 Q N -0.436 119.347 119.800 -0.029 0.000 2.181 433 Q HA -0.185 4.154 4.340 -0.001 0.000 0.205 433 Q C 1.881 177.870 176.000 -0.018 0.000 0.980 433 Q CA 1.250 57.040 55.803 -0.022 0.000 0.862 433 Q CB -0.092 28.567 28.738 -0.131 0.000 0.905 433 Q HN 0.342 nan 8.270 nan 0.000 0.429 434 L N 0.622 121.805 121.223 -0.067 0.000 2.131 434 L HA -0.105 4.234 4.340 -0.001 0.000 0.206 434 L C 2.280 179.134 176.870 -0.027 0.000 1.087 434 L CA 1.289 56.093 54.840 -0.062 0.000 0.767 434 L CB -0.125 41.877 42.059 -0.095 0.000 0.917 434 L HN 0.015 nan 8.230 nan 0.000 0.441 435 R N -0.128 120.356 120.500 -0.026 0.000 2.083 435 R HA -0.162 4.177 4.340 -0.001 0.000 0.237 435 R C 1.811 178.109 176.300 -0.005 0.000 1.137 435 R CA 1.698 57.779 56.100 -0.032 0.000 0.951 435 R CB -0.991 29.291 30.300 -0.030 0.000 0.851 435 R HN 0.438 nan 8.270 nan 0.000 0.434 436 D N 0.912 121.336 120.400 0.041 0.000 2.123 436 D HA -0.130 4.509 4.640 -0.001 0.000 0.196 436 D C 1.861 178.223 176.300 0.104 0.000 0.992 436 D CA 1.557 55.603 54.000 0.077 0.000 0.833 436 D CB -0.293 40.579 40.800 0.121 0.000 0.954 436 D HN 0.250 nan 8.370 nan 0.000 0.455 437 A N 0.799 123.723 122.820 0.174 0.000 1.902 437 A HA -0.133 4.186 4.320 -0.001 0.000 0.217 437 A C 2.150 179.767 177.584 0.054 0.000 1.181 437 A CA 0.898 53.054 52.037 0.198 0.000 0.623 437 A CB -0.332 18.896 19.000 0.381 0.000 0.818 437 A HN 0.101 nan 8.150 nan 0.000 0.443 438 I N -0.091 120.461 120.570 -0.030 0.000 2.333 438 I HA -0.132 4.038 4.170 -0.001 0.000 0.246 438 I C 2.388 178.517 176.117 0.020 0.000 1.106 438 I CA 1.428 62.647 61.300 -0.135 0.000 1.411 438 I CB -1.369 36.430 38.000 -0.334 0.000 1.082 438 I HN 0.613 nan 8.210 nan 0.000 0.420 439 E N 1.153 121.382 120.200 0.049 0.000 2.097 439 E HA -0.310 4.039 4.350 -0.001 0.000 0.196 439 E C 1.980 178.691 176.600 0.184 0.000 1.000 439 E CA 1.802 58.297 56.400 0.158 0.000 0.804 439 E CB 0.091 29.797 29.700 0.010 0.000 0.740 439 E HN 0.362 nan 8.360 nan 0.000 0.454 440 E N -0.334 119.913 120.200 0.078 0.000 2.072 440 E HA -0.193 4.156 4.350 -0.001 0.000 0.191 440 E C 1.838 178.425 176.600 -0.021 0.000 0.985 440 E CA 1.267 57.682 56.400 0.024 0.000 0.801 440 E CB -0.508 29.198 29.700 0.011 0.000 0.750 440 E HN 0.488 nan 8.360 nan 0.000 0.452 441 Y N -0.119 120.100 120.300 -0.135 0.000 2.181 441 Y HA -0.106 4.443 4.550 -0.001 0.000 0.288 441 Y C 2.039 177.754 175.900 -0.308 0.000 1.146 441 Y CA 2.171 60.130 58.100 -0.234 0.000 1.164 441 Y CB -0.674 37.690 38.460 -0.160 0.000 0.982 441 Y HN 0.092 nan 8.280 nan 0.000 0.515 442 G N 0.358 108.937 108.800 -0.368 0.000 2.404 442 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.215 442 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.215 442 G C 1.491 176.084 174.900 -0.513 0.000 1.174 442 G CA 0.973 45.533 45.100 -0.899 0.000 0.780 442 G HN 0.391 nan 8.290 nan 0.000 0.537 443 N N 1.434 119.997 118.700 -0.227 0.000 2.149 443 N HA -0.126 4.614 4.740 -0.001 0.000 0.188 443 N C 2.470 177.877 175.510 -0.171 0.000 1.019 443 N CA 1.337 54.315 53.050 -0.120 0.000 0.857 443 N CB -0.576 37.890 38.487 -0.035 0.000 0.997 443 N HN 0.326 nan 8.380 nan 0.000 0.426 444 A N 1.664 124.353 122.820 -0.218 0.000 1.865 444 A HA -0.139 4.180 4.320 -0.001 0.000 0.217 444 A C 2.103 179.544 177.584 -0.238 0.000 1.191 444 A CA 1.179 53.099 52.037 -0.195 0.000 0.623 444 A CB -0.512 18.377 19.000 -0.184 0.000 0.826 444 A HN 0.134 nan 8.150 nan 0.000 0.444 445 I N -0.265 120.067 120.570 -0.396 0.000 2.226 445 I HA -0.207 3.963 4.170 -0.001 0.000 0.245 445 I C 2.558 178.516 176.117 -0.265 0.000 1.100 445 I CA 1.503 62.595 61.300 -0.348 0.000 1.374 445 I CB -1.534 36.213 38.000 -0.422 0.000 1.057 445 I HN 0.357 nan 8.210 nan 0.000 0.413 446 R N 0.492 120.836 120.500 -0.260 0.000 2.081 446 R HA -0.181 4.159 4.340 -0.001 0.000 0.235 446 R C 2.294 178.513 176.300 -0.136 0.000 1.131 446 R CA 1.352 57.343 56.100 -0.182 0.000 0.960 446 R CB -0.320 29.916 30.300 -0.106 0.000 0.856 446 R HN 0.530 nan 8.270 nan 0.000 0.436 447 Q N 0.418 120.144 119.800 -0.124 0.000 2.083 447 Q HA -0.077 4.262 4.340 -0.001 0.000 0.198 447 Q C 2.273 178.220 176.000 -0.087 0.000 0.969 447 Q CA 1.056 56.798 55.803 -0.101 0.000 0.838 447 Q CB -0.069 28.607 28.738 -0.104 0.000 0.900 447 Q HN 0.297 nan 8.270 nan 0.000 0.436 448 L N 0.420 121.584 121.223 -0.097 0.000 1.989 448 L HA -0.241 4.098 4.340 -0.001 0.000 0.211 448 L C 2.568 179.428 176.870 -0.017 0.000 1.071 448 L CA 1.246 56.040 54.840 -0.076 0.000 0.749 448 L CB -0.695 41.282 42.059 -0.137 0.000 0.890 448 L HN 0.228 nan 8.230 nan 0.000 0.431 449 A N -0.041 122.770 122.820 -0.015 0.000 1.892 449 A HA -0.252 4.067 4.320 -0.001 0.000 0.218 449 A C 2.512 180.110 177.584 0.023 0.000 1.188 449 A CA 2.059 54.131 52.037 0.059 0.000 0.631 449 A CB -0.923 18.017 19.000 -0.100 0.000 0.822 449 A HN 0.433 nan 8.150 nan 0.000 0.447 450 A N -0.550 122.244 122.820 -0.043 0.000 1.972 450 A HA 0.256 4.576 4.320 -0.001 0.000 0.219 450 A C 1.950 179.541 177.584 0.010 0.000 1.169 450 A CA 1.653 53.674 52.037 -0.026 0.000 0.635 450 A CB -0.700 18.272 19.000 -0.047 0.000 0.810 450 A HN 1.226 nan 8.150 nan 0.000 0.446 451 A N -0.708 122.122 122.820 0.017 0.000 2.929 451 A HA 0.415 4.735 4.320 -0.001 0.000 0.279 451 A C 0.724 178.417 177.584 0.181 0.000 1.418 451 A CA 0.273 52.348 52.037 0.062 0.000 1.035 451 A CB -0.925 18.103 19.000 0.047 0.000 1.047 451 A HN 0.593 nan 8.150 nan 0.000 0.609 452 N N -0.647 118.147 118.700 0.157 0.000 2.708 452 N HA -0.151 4.588 4.740 -0.001 0.000 0.251 452 N C -0.555 175.109 175.510 0.257 0.000 1.123 452 N CA 0.932 54.115 53.050 0.222 0.000 0.739 452 N CB -1.157 37.459 38.487 0.215 0.000 1.113 452 N HN 0.378 nan 8.380 nan 0.000 0.561 453 I N 1.012 121.672 120.570 0.150 0.000 2.378 453 I HA 0.321 4.490 4.170 -0.001 0.000 0.291 453 I C -0.021 176.198 176.117 0.169 0.000 0.992 453 I CA -0.777 60.554 61.300 0.052 0.000 1.154 453 I CB 0.719 38.642 38.000 -0.129 0.000 1.315 453 I HN 0.050 nan 8.210 nan 0.000 0.448 454 F N 9.562 129.537 119.950 0.041 0.000 2.361 454 F HA 0.554 5.080 4.527 -0.001 0.000 0.364 454 F C -2.107 173.668 175.800 -0.041 0.000 1.120 454 F CA -2.673 55.380 58.000 0.089 0.000 1.102 454 F CB 1.246 40.310 39.000 0.108 0.000 1.183 454 F HN 0.218 nan 8.300 nan 0.000 0.476 455 P HA 0.191 nan 4.420 nan 0.000 0.260 455 P C 0.894 177.664 177.300 -0.883 0.000 1.651 455 P CA 0.111 62.680 63.100 -0.885 0.000 1.139 455 P CB 0.607 31.640 31.700 -1.113 0.000 1.756 456 G N 3.429 111.918 108.800 -0.518 0.000 2.875 456 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.220 456 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.220 456 G C 1.209 175.950 174.900 -0.266 0.000 1.293 456 G CA 1.044 45.970 45.100 -0.290 0.000 0.789 456 G HN 0.281 nan 8.290 nan 0.000 0.677 457 D N -0.530 119.805 120.400 -0.107 0.000 2.095 457 D HA -0.138 4.501 4.640 -0.001 0.000 0.192 457 D C 2.015 178.211 176.300 -0.174 0.000 0.990 457 D CA 1.580 55.507 54.000 -0.122 0.000 0.836 457 D CB -0.189 40.588 40.800 -0.039 0.000 0.979 457 D HN 0.344 nan 8.370 nan 0.000 0.447 458 M N -1.125 118.469 119.600 -0.009 0.000 2.970 458 M HA -0.247 4.233 4.480 -0.001 0.000 0.202 458 M C -0.798 175.586 176.300 0.141 0.000 0.601 458 M CA 0.121 55.472 55.300 0.084 0.000 0.767 458 M CB -1.085 31.332 32.600 -0.305 0.000 2.747 458 M HN -0.034 nan 8.290 nan 0.000 0.312 459 L N 0.338 121.594 121.223 0.055 0.000 2.464 459 L HA 0.086 4.425 4.340 -0.001 0.000 0.264 459 L C 1.234 178.181 176.870 0.128 0.000 1.199 459 L CA 0.035 54.832 54.840 -0.072 0.000 0.818 459 L CB 0.205 42.242 42.059 -0.037 0.000 1.102 459 L HN 0.189 nan 8.230 nan 0.000 0.473 460 F N 0.347 120.394 119.950 0.161 0.000 2.269 460 F HA -0.208 4.318 4.527 -0.001 0.000 0.301 460 F C 2.270 178.202 175.800 0.221 0.000 1.082 460 F CA 0.848 58.938 58.000 0.151 0.000 1.360 460 F CB -0.220 38.800 39.000 0.033 0.000 1.041 460 F HN 0.546 nan 8.300 nan 0.000 0.512 461 K N -0.197 120.399 120.400 0.327 0.000 2.442 461 K HA -0.111 4.209 4.320 -0.001 0.000 0.198 461 K C 0.818 177.529 176.600 0.184 0.000 1.044 461 K CA 1.399 57.837 56.287 0.250 0.000 0.948 461 K CB -0.285 32.329 32.500 0.191 0.000 0.762 461 K HN 0.134 nan 8.250 nan 0.000 0.472 462 N N -0.216 118.554 118.700 0.117 0.000 2.236 462 N HA 0.155 4.895 4.740 -0.001 0.000 0.196 462 N C -1.086 173.803 175.510 -1.035 0.000 1.114 462 N CA 0.146 53.010 53.050 -0.311 0.000 0.859 462 N CB 0.309 38.715 38.487 -0.135 0.000 0.982 462 N HN 0.067 nan 8.380 nan 0.000 0.493 463 F N -0.249 119.365 119.950 -0.560 0.000 2.532 463 F HA 0.634 5.160 4.527 -0.001 0.000 0.321 463 F C 1.036 176.646 175.800 -0.317 0.000 1.089 463 F CA -1.161 56.573 58.000 -0.443 0.000 0.926 463 F CB 1.660 40.690 39.000 0.050 0.000 1.168 463 F HN -0.239 nan 8.300 nan 0.000 0.459 464 G N 0.717 109.549 108.800 0.053 0.000 2.471 464 G HA2 0.601 4.560 3.960 -0.001 0.000 0.332 464 G HA3 0.601 4.560 3.960 -0.001 0.000 0.332 464 G C -1.709 173.260 174.900 0.115 0.000 1.176 464 G CA -0.762 44.489 45.100 0.252 0.000 0.949 464 G HN 0.454 nan 8.290 nan 0.000 0.488 465 V N 1.133 121.039 119.914 -0.015 0.000 2.384 465 V HA 0.333 4.452 4.120 -0.001 0.000 0.287 465 V C 0.619 176.612 176.094 -0.168 0.000 1.020 465 V CA -0.609 61.549 62.300 -0.237 0.000 0.850 465 V CB 1.119 32.508 31.823 -0.724 0.000 0.987 465 V HN 0.833 nan 8.190 nan 0.000 0.436 466 T N 4.842 119.345 114.554 -0.084 0.000 2.802 466 T HA 0.115 4.464 4.350 -0.001 0.000 0.305 466 T C 1.495 176.143 174.700 -0.087 0.000 1.053 466 T CA -0.359 61.744 62.100 0.006 0.000 1.058 466 T CB 0.509 69.466 68.868 0.148 0.000 0.988 466 T HN 0.625 nan 8.240 nan 0.000 0.539 467 R N 0.288 120.727 120.500 -0.101 0.000 2.241 467 R HA -0.074 4.265 4.340 -0.001 0.000 0.224 467 R C 1.437 177.610 176.300 -0.211 0.000 1.101 467 R CA 0.921 56.920 56.100 -0.169 0.000 0.995 467 R CB -0.181 29.979 30.300 -0.233 0.000 0.870 467 R HN 0.612 nan 8.270 nan 0.000 0.463 468 H N -0.339 118.733 119.070 0.002 0.000 2.539 468 H HA 0.118 4.673 4.556 -0.001 0.000 0.267 468 H C 1.287 176.602 175.328 -0.023 0.000 0.982 468 H CA 0.832 56.885 56.048 0.008 0.000 1.146 468 H CB 0.657 30.433 29.762 0.023 0.000 1.382 468 H HN 0.459 nan 8.280 nan 0.000 0.577 469 G N 1.582 110.371 108.800 -0.019 0.000 2.143 469 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.248 469 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.248 469 G C 0.247 175.047 174.900 -0.166 0.000 0.991 469 G CA -0.024 44.974 45.100 -0.171 0.000 0.689 469 G HN 0.336 nan 8.290 nan 0.000 0.522 470 R N -0.959 119.498 120.500 -0.071 0.000 2.532 470 R HA 0.626 4.966 4.340 -0.001 0.000 0.272 470 R C -0.041 176.221 176.300 -0.063 0.000 1.032 470 R CA -0.712 55.361 56.100 -0.045 0.000 1.089 470 R CB 1.623 31.926 30.300 0.006 0.000 1.098 470 R HN 0.069 nan 8.270 nan 0.000 0.526 471 V N 2.399 122.298 119.914 -0.025 0.000 2.435 471 V HA 0.342 4.462 4.120 -0.001 0.000 0.290 471 V C -0.345 175.821 176.094 0.121 0.000 1.030 471 V CA -0.593 61.732 62.300 0.042 0.000 0.881 471 V CB 1.764 33.611 31.823 0.039 0.000 0.983 471 V HN 0.414 nan 8.190 nan 0.000 0.445 472 V N 5.149 125.179 119.914 0.195 0.000 2.588 472 V HA 0.430 4.549 4.120 -0.001 0.000 0.304 472 V C -0.519 175.684 176.094 0.182 0.000 1.042 472 V CA -0.709 61.698 62.300 0.178 0.000 0.877 472 V CB 1.876 33.781 31.823 0.136 0.000 0.996 472 V HN 0.688 nan 8.190 nan 0.000 0.425 473 F N 5.441 125.299 119.950 -0.154 0.000 2.429 473 F HA 0.395 4.921 4.527 -0.001 0.000 0.348 473 F C 0.673 176.262 175.800 -0.352 0.000 1.109 473 F CA -0.549 57.029 58.000 -0.703 0.000 1.232 473 F CB 0.680 39.289 39.000 -0.652 0.000 1.157 473 F HN 0.654 nan 8.300 nan 0.000 0.564 474 Y N 0.634 120.347 120.300 -0.978 0.000 2.666 474 Y HA 0.345 4.894 4.550 -0.001 0.000 0.260 474 Y C -0.548 174.428 175.900 -1.541 0.000 1.089 474 Y CA -0.940 56.561 58.100 -0.998 0.000 1.246 474 Y CB 0.079 38.227 38.460 -0.521 0.000 1.353 474 Y HN 0.397 nan 8.280 nan 0.000 0.558 475 D N 1.003 120.566 120.400 -1.396 0.000 2.373 475 D HA 0.184 4.823 4.640 -0.001 0.000 0.227 475 D C -0.520 175.269 176.300 -0.851 0.000 1.091 475 D CA -0.631 52.796 54.000 -0.954 0.000 0.840 475 D CB 0.658 41.155 40.800 -0.504 0.000 1.060 475 D HN 0.271 nan 8.370 nan 0.000 0.502 476 Y N 1.062 121.089 120.300 -0.456 0.000 2.485 476 Y HA 0.148 4.697 4.550 -0.001 0.000 0.260 476 Y C 0.136 175.968 175.900 -0.113 0.000 1.173 476 Y CA -0.989 56.905 58.100 -0.342 0.000 1.252 476 Y CB -1.030 37.092 38.460 -0.564 0.000 1.123 476 Y HN 0.340 nan 8.280 nan 0.000 0.524 477 D N 0.029 120.440 120.400 0.018 0.000 2.443 477 D HA 0.042 4.681 4.640 -0.001 0.000 0.239 477 D C 0.528 176.843 176.300 0.024 0.000 1.136 477 D CA 0.325 54.330 54.000 0.008 0.000 0.879 477 D CB 0.588 41.329 40.800 -0.098 0.000 1.195 477 D HN 0.125 nan 8.370 nan 0.000 0.443 478 E N -0.660 119.565 120.200 0.042 0.000 3.916 478 E HA -0.212 4.137 4.350 -0.001 0.000 0.331 478 E C 0.264 176.924 176.600 0.100 0.000 0.729 478 E CA 0.431 56.863 56.400 0.053 0.000 1.222 478 E CB -1.313 28.395 29.700 0.012 0.000 1.633 478 E HN 0.612 nan 8.360 nan 0.000 0.437 479 I N 1.767 122.400 120.570 0.105 0.000 2.692 479 I HA 0.082 4.251 4.170 -0.001 0.000 0.284 479 I C 1.115 177.257 176.117 0.042 0.000 1.159 479 I CA 0.516 61.860 61.300 0.073 0.000 1.423 479 I CB 0.589 38.609 38.000 0.034 0.000 1.380 479 I HN 0.465 nan 8.210 nan 0.000 0.580 480 C N 5.682 125.008 119.300 0.043 0.000 3.321 480 C HA 0.470 4.929 4.460 -0.001 0.000 0.329 480 C C -0.714 174.260 174.990 -0.027 0.000 1.394 480 C CA -1.188 57.812 59.018 -0.030 0.000 1.291 480 C CB 0.985 28.763 27.740 0.063 0.000 1.606 480 C HN 0.615 nan 8.230 nan 0.000 0.463 481 Y N 1.438 121.763 120.300 0.042 0.000 2.425 481 Y HA 0.327 4.876 4.550 -0.001 0.000 0.331 481 Y C 1.705 177.647 175.900 0.070 0.000 1.157 481 Y CA 0.246 58.373 58.100 0.045 0.000 1.372 481 Y CB 0.669 39.146 38.460 0.028 0.000 1.253 481 Y HN 0.873 nan 8.280 nan 0.000 0.536 482 M N 1.844 121.630 119.600 0.311 0.000 2.267 482 M HA -0.186 4.293 4.480 -0.001 0.000 0.263 482 M C 2.048 178.449 176.300 0.167 0.000 1.063 482 M CA 2.208 57.672 55.300 0.272 0.000 1.090 482 M CB -0.418 32.372 32.600 0.316 0.000 1.392 482 M HN 0.841 nan 8.290 nan 0.000 0.422 483 T N -3.019 111.618 114.554 0.139 0.000 3.072 483 T HA -0.038 4.311 4.350 -0.001 0.000 0.266 483 T C 1.316 176.028 174.700 0.021 0.000 1.127 483 T CA 1.321 63.461 62.100 0.067 0.000 1.107 483 T CB -0.469 68.416 68.868 0.028 0.000 0.910 483 T HN 0.588 nan 8.240 nan 0.000 0.513 484 E N 0.365 120.578 120.200 0.021 0.000 2.447 484 E HA 0.231 4.580 4.350 -0.001 0.000 0.195 484 E C 0.632 177.137 176.600 -0.159 0.000 1.028 484 E CA -0.137 56.245 56.400 -0.030 0.000 0.876 484 E CB 0.742 30.460 29.700 0.029 0.000 0.885 484 E HN 0.447 nan 8.360 nan 0.000 0.500 485 V N 1.638 121.378 119.914 -0.289 0.000 2.539 485 V HA 0.290 4.409 4.120 -0.001 0.000 0.292 485 V C -0.798 174.927 176.094 -0.614 0.000 1.045 485 V CA -0.820 61.122 62.300 -0.597 0.000 0.945 485 V CB 1.627 32.783 31.823 -1.111 0.000 0.993 485 V HN 0.007 nan 8.190 nan 0.000 0.464 486 N N 5.647 123.991 118.700 -0.595 0.000 2.485 486 N HA 0.362 5.102 4.740 -0.001 0.000 0.243 486 N C -1.184 173.970 175.510 -0.593 0.000 0.987 486 N CA -0.385 52.396 53.050 -0.449 0.000 0.940 486 N CB 0.244 38.559 38.487 -0.287 0.000 1.122 486 N HN 0.560 nan 8.380 nan 0.000 0.509 487 F N 3.472 123.251 119.950 -0.286 0.000 2.445 487 F HA 0.394 4.920 4.527 -0.001 0.000 0.359 487 F C 1.195 176.808 175.800 -0.312 0.000 1.101 487 F CA -0.412 57.387 58.000 -0.335 0.000 1.177 487 F CB 0.779 39.658 39.000 -0.203 0.000 1.110 487 F HN 0.122 nan 8.300 nan 0.000 0.522 488 R N 1.703 122.015 120.500 -0.313 0.000 2.740 488 R HA 0.433 4.772 4.340 -0.001 0.000 0.282 488 R C -1.408 174.841 176.300 -0.086 0.000 0.969 488 R CA -1.208 54.740 56.100 -0.253 0.000 0.918 488 R CB 1.523 31.586 30.300 -0.394 0.000 1.175 488 R HN 0.448 nan 8.270 nan 0.000 0.464 489 D N 1.280 121.686 120.400 0.011 0.000 2.329 489 D HA 0.233 4.873 4.640 -0.001 0.000 0.246 489 D C 0.281 176.639 176.300 0.096 0.000 1.111 489 D CA -0.300 53.739 54.000 0.064 0.000 0.941 489 D CB 0.814 41.632 40.800 0.029 0.000 1.169 489 D HN 0.286 nan 8.370 nan 0.000 0.441 490 I N 2.256 122.866 120.570 0.065 0.000 2.533 490 I HA 0.122 4.291 4.170 -0.001 0.000 0.284 490 I C -1.880 174.135 176.117 -0.171 0.000 1.109 490 I CA -1.668 59.559 61.300 -0.122 0.000 1.412 490 I CB 0.285 38.236 38.000 -0.083 0.000 1.396 490 I HN 0.097 nan 8.210 nan 0.000 0.543 491 P HA 0.101 nan 4.420 nan 0.000 0.266 491 P C -2.297 175.034 177.300 0.051 0.000 1.195 491 P CA -0.784 62.208 63.100 -0.180 0.000 0.768 491 P CB -0.288 31.223 31.700 -0.315 0.000 0.838 492 P HA 0.152 nan 4.420 nan 0.000 0.271 492 P C -2.453 174.999 177.300 0.252 0.000 1.233 492 P CA -1.313 61.873 63.100 0.144 0.000 0.789 492 P CB -0.840 30.898 31.700 0.064 0.000 0.951 493 P HA 0.186 nan 4.420 nan 0.000 0.271 493 P C 0.460 177.610 177.300 -0.250 0.000 1.216 493 P CA -0.043 62.983 63.100 -0.123 0.000 0.776 493 P CB 0.802 32.417 31.700 -0.143 0.000 0.881 494 R N 2.051 122.208 120.500 -0.571 0.000 2.062 494 R HA 0.037 4.376 4.340 -0.001 0.000 0.226 494 R C 0.465 176.320 176.300 -0.742 0.000 1.125 494 R CA 1.433 57.054 56.100 -0.799 0.000 0.966 494 R CB -0.505 28.916 30.300 -1.465 0.000 0.861 494 R HN 0.563 nan 8.270 nan 0.000 0.433 495 Y N -1.804 118.359 120.300 -0.228 0.000 2.602 495 Y HA 0.335 4.884 4.550 -0.001 0.000 0.342 495 Y C -1.801 174.000 175.900 -0.165 0.000 1.029 495 Y CA -3.194 54.805 58.100 -0.169 0.000 1.080 495 Y CB 1.260 39.618 38.460 -0.168 0.000 1.284 495 Y HN -0.264 nan 8.280 nan 0.000 0.485 496 P HA -0.206 nan 4.420 nan 0.000 0.216 496 P C 1.023 178.309 177.300 -0.023 0.000 1.150 496 P CA 2.015 65.114 63.100 -0.003 0.000 0.837 496 P CB 0.154 31.857 31.700 0.005 0.000 0.786 497 E N -0.390 119.804 120.200 -0.010 0.000 2.267 497 E HA -0.220 4.129 4.350 -0.001 0.000 0.197 497 E C 1.056 177.614 176.600 -0.070 0.000 0.998 497 E CA 1.146 57.527 56.400 -0.031 0.000 0.830 497 E CB -0.874 28.809 29.700 -0.027 0.000 0.751 497 E HN 0.185 nan 8.360 nan 0.000 0.491 498 D N 1.382 121.687 120.400 -0.159 0.000 2.269 498 D HA -0.098 4.541 4.640 -0.001 0.000 0.208 498 D C 1.428 177.652 176.300 -0.127 0.000 0.963 498 D CA 0.800 54.600 54.000 -0.335 0.000 0.864 498 D CB -0.020 40.263 40.800 -0.862 0.000 0.936 498 D HN 0.448 nan 8.370 nan 0.000 0.505 499 E N -0.267 119.892 120.200 -0.067 0.000 2.268 499 E HA -0.043 4.307 4.350 -0.001 0.000 0.195 499 E C 1.224 177.832 176.600 0.013 0.000 0.995 499 E CA 0.471 56.872 56.400 0.001 0.000 0.836 499 E CB 0.216 29.911 29.700 -0.008 0.000 0.763 499 E HN 0.281 nan 8.360 nan 0.000 0.491 500 L N -0.090 121.133 121.223 0.000 0.000 2.959 500 L HA 0.296 4.635 4.340 -0.001 0.000 0.259 500 L C 0.419 177.295 176.870 0.009 0.000 1.185 500 L CA -0.534 54.307 54.840 0.001 0.000 0.998 500 L CB 0.757 42.811 42.059 -0.008 0.000 1.337 500 L HN -0.092 nan 8.230 nan 0.000 0.555 501 A N 0.095 122.933 122.820 0.030 0.000 2.388 501 A HA 0.400 4.719 4.320 -0.001 0.000 0.257 501 A C 1.326 178.931 177.584 0.036 0.000 1.095 501 A CA 0.367 52.430 52.037 0.043 0.000 0.791 501 A CB 0.568 19.621 19.000 0.088 0.000 1.029 501 A HN 0.345 nan 8.150 nan 0.000 0.489 502 S N 1.532 117.241 115.700 0.015 0.000 2.348 502 S HA -0.052 4.417 4.470 -0.001 0.000 0.219 502 S C 0.633 175.224 174.600 -0.014 0.000 1.033 502 S CA 0.833 59.030 58.200 -0.004 0.000 0.974 502 S CB -0.668 62.527 63.200 -0.008 0.000 0.868 502 S HN 0.846 nan 8.310 nan 0.000 0.459 503 E N 3.124 123.317 120.200 -0.010 0.000 2.313 503 E HA 0.456 4.805 4.350 -0.001 0.000 0.276 503 E C -2.892 173.675 176.600 -0.055 0.000 1.031 503 E CA -2.274 54.100 56.400 -0.042 0.000 0.857 503 E CB -0.204 29.477 29.700 -0.031 0.000 1.040 503 E HN 0.165 nan 8.360 nan 0.000 0.408 504 P HA -0.029 nan 4.420 nan 0.000 0.276 504 P C -0.070 176.995 177.300 -0.392 0.000 1.230 504 P CA -0.430 62.388 63.100 -0.470 0.000 0.776 504 P CB 0.224 31.328 31.700 -0.994 0.000 0.888 505 W N 4.305 125.387 121.300 -0.364 0.000 2.388 505 W HA -0.113 4.546 4.660 -0.001 0.000 0.294 505 W C 0.342 176.785 176.519 -0.127 0.000 1.212 505 W CA 0.069 57.318 57.345 -0.160 0.000 1.271 505 W CB -1.714 27.741 29.460 -0.008 0.000 1.126 505 W HN 0.271 nan 8.180 nan 0.000 0.535 506 Y N 2.404 122.375 120.300 -0.548 0.000 2.314 506 Y HA 0.512 5.061 4.550 -0.001 0.000 0.334 506 Y C 0.512 176.298 175.900 -0.191 0.000 1.266 506 Y CA -1.763 56.123 58.100 -0.357 0.000 1.391 506 Y CB -0.053 38.097 38.460 -0.518 0.000 1.306 506 Y HN -0.019 nan 8.280 nan 0.000 0.558 507 S N 1.839 117.571 115.700 0.054 0.000 2.541 507 S HA 0.665 5.134 4.470 -0.001 0.000 0.283 507 S C -0.380 174.283 174.600 0.106 0.000 1.196 507 S CA -0.500 57.718 58.200 0.030 0.000 1.062 507 S CB 1.386 64.608 63.200 0.036 0.000 1.009 507 S HN 1.240 nan 8.310 nan 0.000 0.502 508 V N -0.058 119.907 119.914 0.085 0.000 2.864 508 V HA 0.953 5.073 4.120 -0.001 0.000 0.314 508 V C -0.506 175.633 176.094 0.076 0.000 1.073 508 V CA -0.632 61.758 62.300 0.149 0.000 0.956 508 V CB 1.605 33.571 31.823 0.239 0.000 1.023 508 V HN 1.158 nan 8.190 nan 0.000 0.435 509 S N 2.630 118.363 115.700 0.056 0.000 2.568 509 S HA 0.756 5.225 4.470 -0.001 0.000 0.293 509 S C -3.135 171.460 174.600 -0.007 0.000 1.089 509 S CA -1.687 56.523 58.200 0.016 0.000 0.945 509 S CB 1.284 64.484 63.200 0.001 0.000 1.077 509 S HN 0.769 nan 8.310 nan 0.000 0.485 510 P HA 0.211 nan 4.420 nan 0.000 0.259 510 P C 1.113 178.371 177.300 -0.069 0.000 1.163 510 P CA 1.765 64.848 63.100 -0.030 0.000 0.760 510 P CB -0.119 31.570 31.700 -0.018 0.000 0.762 511 G N 2.512 111.247 108.800 -0.108 0.000 2.339 511 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.209 511 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.209 511 G C -0.163 174.549 174.900 -0.313 0.000 1.015 511 G CA -0.423 44.560 45.100 -0.196 0.000 0.635 511 G HN 0.514 nan 8.290 nan 0.000 0.499 512 D N 0.954 121.200 120.400 -0.257 0.000 2.455 512 D HA 0.461 5.101 4.640 -0.001 0.000 0.241 512 D C 0.229 176.242 176.300 -0.478 0.000 1.138 512 D CA 0.574 54.333 54.000 -0.401 0.000 0.877 512 D CB 1.859 42.508 40.800 -0.250 0.000 1.187 512 D HN 0.302 nan 8.370 nan 0.000 0.451 513 V N 2.765 122.221 119.914 -0.763 0.000 2.760 513 V HA 0.397 4.516 4.120 -0.001 0.000 0.309 513 V C -0.746 174.931 176.094 -0.695 0.000 1.077 513 V CA -0.812 61.159 62.300 -0.548 0.000 0.910 513 V CB 1.696 33.172 31.823 -0.579 0.000 1.008 513 V HN 0.333 nan 8.190 nan 0.000 0.424 514 F N 4.704 124.559 119.950 -0.158 0.000 2.451 514 F HA 0.413 4.940 4.527 -0.001 0.000 0.367 514 F C -1.800 173.677 175.800 -0.538 0.000 1.100 514 F CA -1.913 55.958 58.000 -0.216 0.000 1.171 514 F CB 1.546 40.481 39.000 -0.108 0.000 1.405 514 F HN 0.339 nan 8.300 nan 0.000 0.482 515 P HA -0.201 nan 4.420 nan 0.000 0.218 515 P C 1.306 178.393 177.300 -0.356 0.000 1.146 515 P CA 1.495 64.020 63.100 -0.958 0.000 0.813 515 P CB 0.272 31.821 31.700 -0.252 0.000 0.778 516 E N -0.299 119.852 120.200 -0.082 0.000 2.118 516 E HA -0.237 4.112 4.350 -0.001 0.000 0.195 516 E C 2.001 178.595 176.600 -0.009 0.000 0.992 516 E CA 1.268 57.679 56.400 0.020 0.000 0.804 516 E CB -0.267 29.458 29.700 0.043 0.000 0.741 516 E HN 0.548 nan 8.360 nan 0.000 0.458 517 E N 0.279 120.491 120.200 0.020 0.000 2.285 517 E HA -0.132 4.217 4.350 -0.001 0.000 0.194 517 E C 1.571 178.450 176.600 0.464 0.000 0.997 517 E CA 0.349 56.868 56.400 0.199 0.000 0.845 517 E CB -0.391 29.468 29.700 0.265 0.000 0.782 517 E HN 0.340 nan 8.360 nan 0.000 0.491 518 F N 1.354 121.508 119.950 0.340 0.000 2.236 518 F HA -0.152 4.374 4.527 -0.001 0.000 0.302 518 F C 2.733 178.665 175.800 0.220 0.000 1.073 518 F CA 0.754 58.983 58.000 0.383 0.000 1.336 518 F CB -0.203 39.089 39.000 0.487 0.000 1.040 518 F HN 0.048 nan 8.300 nan 0.000 0.507 519 R N 0.041 120.538 120.500 -0.005 0.000 2.127 519 R HA -0.211 4.128 4.340 -0.001 0.000 0.238 519 R C 2.308 178.503 176.300 -0.175 0.000 1.134 519 R CA 1.333 57.160 56.100 -0.455 0.000 0.975 519 R CB -0.605 29.266 30.300 -0.715 0.000 0.865 519 R HN 0.408 nan 8.270 nan 0.000 0.447 520 H N -0.905 118.051 119.070 -0.189 0.000 2.357 520 H HA -0.173 4.382 4.556 -0.001 0.000 0.301 520 H C 1.345 176.449 175.328 -0.373 0.000 1.082 520 H CA 1.678 57.481 56.048 -0.408 0.000 1.342 520 H CB -0.013 29.263 29.762 -0.810 0.000 1.389 520 H HN 0.390 nan 8.280 nan 0.000 0.511 521 W N -0.073 121.136 121.300 -0.151 0.000 2.576 521 W HA -0.047 4.612 4.660 -0.001 0.000 0.270 521 W C 1.820 178.166 176.519 -0.288 0.000 1.255 521 W CA -0.118 57.090 57.345 -0.227 0.000 1.314 521 W CB -0.024 29.361 29.460 -0.125 0.000 1.101 521 W HN 0.250 nan 8.180 nan 0.000 0.595 522 L N -0.701 120.472 121.223 -0.083 0.000 2.298 522 L HA 0.037 4.376 4.340 -0.001 0.000 0.209 522 L C 1.476 178.281 176.870 -0.109 0.000 1.084 522 L CA 1.317 55.980 54.840 -0.295 0.000 0.816 522 L CB -0.791 40.985 42.059 -0.473 0.000 0.967 522 L HN -0.186 nan 8.230 nan 0.000 0.460 523 C N -0.647 118.578 119.300 -0.126 0.000 2.470 523 C HA 0.523 4.983 4.460 -0.001 0.000 0.311 523 C C 2.212 177.196 174.990 -0.010 0.000 1.387 523 C CA -0.351 58.669 59.018 0.003 0.000 1.783 523 C CB -1.354 26.358 27.740 -0.046 0.000 2.416 523 C HN 0.437 nan 8.230 nan 0.000 0.558 524 A N 0.417 123.212 122.820 -0.042 0.000 1.855 524 A HA -0.099 4.220 4.320 -0.001 0.000 0.215 524 A C 1.178 178.761 177.584 -0.002 0.000 1.191 524 A CA 1.249 53.232 52.037 -0.089 0.000 0.613 524 A CB -0.360 18.541 19.000 -0.165 0.000 0.829 524 A HN 0.585 nan 8.150 nan 0.000 0.442 525 D N 0.126 120.560 120.400 0.057 0.000 2.450 525 D HA 0.076 4.715 4.640 -0.001 0.000 0.247 525 D C -1.433 174.902 176.300 0.059 0.000 1.162 525 D CA -1.402 52.632 54.000 0.057 0.000 0.879 525 D CB 1.114 41.955 40.800 0.069 0.000 1.163 525 D HN 0.106 nan 8.370 nan 0.000 0.472 526 P HA -0.129 nan 4.420 nan 0.000 0.219 526 P C 0.930 178.254 177.300 0.040 0.000 1.146 526 P CA 1.052 64.173 63.100 0.035 0.000 0.808 526 P CB 0.478 32.190 31.700 0.020 0.000 0.779 527 R N 0.503 121.022 120.500 0.032 0.000 2.052 527 R HA 0.061 4.400 4.340 -0.001 0.000 0.226 527 R C 2.695 179.021 176.300 0.042 0.000 1.145 527 R CA 1.283 57.396 56.100 0.021 0.000 0.952 527 R CB -1.229 29.067 30.300 -0.006 0.000 0.847 527 R HN 0.256 nan 8.270 nan 0.000 0.431 528 I N -0.984 119.625 120.570 0.065 0.000 3.001 528 I HA 0.079 4.248 4.170 -0.001 0.000 0.268 528 I C 1.741 178.035 176.117 0.294 0.000 1.267 528 I CA 1.339 62.709 61.300 0.117 0.000 1.472 528 I CB -0.479 37.591 38.000 0.116 0.000 1.089 528 I HN 0.118 nan 8.210 nan 0.000 0.468 529 G N 2.385 111.329 108.800 0.240 0.000 2.464 529 G HA2 -0.084 3.875 3.960 -0.001 0.000 0.214 529 G HA3 -0.084 3.875 3.960 -0.001 0.000 0.214 529 G C -0.416 174.646 174.900 0.270 0.000 1.218 529 G CA 0.872 46.136 45.100 0.273 0.000 0.794 529 G HN 0.361 nan 8.290 nan 0.000 0.542 530 P HA -0.086 nan 4.420 nan 0.000 0.216 530 P C 2.034 179.404 177.300 0.116 0.000 1.153 530 P CA 0.800 63.972 63.100 0.121 0.000 0.858 530 P CB -0.156 31.584 31.700 0.067 0.000 0.789 531 L N -2.776 118.496 121.223 0.081 0.000 2.043 531 L HA -0.205 4.134 4.340 -0.001 0.000 0.212 531 L C 2.388 179.262 176.870 0.007 0.000 1.075 531 L CA 1.611 56.444 54.840 -0.012 0.000 0.752 531 L CB -1.058 40.941 42.059 -0.100 0.000 0.891 531 L HN -0.078 nan 8.230 nan 0.000 0.432 532 F N 0.075 120.129 119.950 0.174 0.000 2.102 532 F HA -0.200 4.326 4.527 -0.001 0.000 0.298 532 F C 2.714 178.657 175.800 0.237 0.000 1.105 532 F CA 1.210 59.375 58.000 0.275 0.000 1.239 532 F CB -0.185 39.080 39.000 0.442 0.000 0.991 532 F HN 0.064 nan 8.300 nan 0.000 0.474 533 E N 0.059 120.502 120.200 0.405 0.000 2.204 533 E HA -0.202 4.147 4.350 -0.001 0.000 0.194 533 E C 1.974 178.658 176.600 0.140 0.000 0.989 533 E CA 0.823 57.386 56.400 0.272 0.000 0.824 533 E CB -0.383 29.440 29.700 0.206 0.000 0.756 533 E HN 0.585 nan 8.360 nan 0.000 0.477 534 E N 0.709 120.959 120.200 0.083 0.000 2.016 534 E HA -0.099 4.251 4.350 -0.001 0.000 0.190 534 E C 2.065 178.626 176.600 -0.066 0.000 0.985 534 E CA 1.126 57.527 56.400 0.002 0.000 0.802 534 E CB 0.095 29.782 29.700 -0.022 0.000 0.762 534 E HN 0.222 nan 8.360 nan 0.000 0.448 535 M N -1.874 117.628 119.600 -0.164 0.000 2.461 535 M HA 0.186 4.666 4.480 -0.001 0.000 0.255 535 M C 0.277 176.292 176.300 -0.475 0.000 1.137 535 M CA 0.521 55.604 55.300 -0.362 0.000 1.086 535 M CB 0.572 32.862 32.600 -0.516 0.000 1.356 535 M HN -0.047 nan 8.290 nan 0.000 0.487 536 H N 0.744 119.807 119.070 -0.012 0.000 2.562 536 H HA 0.533 5.089 4.556 -0.001 0.000 0.249 536 H C 1.147 176.423 175.328 -0.086 0.000 1.195 536 H CA -0.072 55.944 56.048 -0.054 0.000 0.938 536 H CB 0.463 30.246 29.762 0.035 0.000 1.891 536 H HN 0.412 nan 8.280 nan 0.000 0.595 537 A N 0.221 123.072 122.820 0.052 0.000 2.067 537 A HA -0.132 4.187 4.320 -0.001 0.000 0.219 537 A C 1.625 179.191 177.584 -0.030 0.000 1.158 537 A CA 1.394 53.487 52.037 0.093 0.000 0.661 537 A CB -0.041 19.021 19.000 0.103 0.000 0.801 537 A HN 0.270 nan 8.150 nan 0.000 0.452 538 D N 0.324 120.594 120.400 -0.217 0.000 2.178 538 D HA -0.113 4.526 4.640 -0.001 0.000 0.201 538 D C 1.572 177.597 176.300 -0.459 0.000 0.980 538 D CA 0.801 54.524 54.000 -0.462 0.000 0.842 538 D CB -0.287 39.896 40.800 -1.028 0.000 0.948 538 D HN 0.446 nan 8.370 nan 0.000 0.472 539 L N -0.571 120.395 121.223 -0.429 0.000 2.362 539 L HA -0.014 4.325 4.340 -0.001 0.000 0.219 539 L C 1.087 178.090 176.870 0.221 0.000 1.134 539 L CA 0.717 55.460 54.840 -0.160 0.000 0.807 539 L CB -0.222 41.669 42.059 -0.280 0.000 0.927 539 L HN 0.092 nan 8.230 nan 0.000 0.447 540 F N -0.765 119.372 119.950 0.310 0.000 2.695 540 F HA 0.196 4.722 4.527 -0.001 0.000 0.303 540 F C 1.002 176.896 175.800 0.156 0.000 1.091 540 F CA -0.457 57.676 58.000 0.221 0.000 1.300 540 F CB 0.334 39.429 39.000 0.158 0.000 1.071 540 F HN -0.137 nan 8.300 nan 0.000 0.578 541 R N 0.433 121.130 120.500 0.328 0.000 2.338 541 R HA 0.493 4.832 4.340 -0.001 0.000 0.317 541 R C 0.888 177.375 176.300 0.311 0.000 0.968 541 R CA -0.150 56.099 56.100 0.249 0.000 0.849 541 R CB 1.548 31.957 30.300 0.182 0.000 1.128 541 R HN 0.076 nan 8.270 nan 0.000 0.448 542 A N 2.939 125.874 122.820 0.192 0.000 2.019 542 A HA -0.188 4.131 4.320 -0.001 0.000 0.219 542 A C 1.050 178.714 177.584 0.133 0.000 1.164 542 A CA 1.495 53.617 52.037 0.141 0.000 0.644 542 A CB -0.200 18.846 19.000 0.076 0.000 0.805 542 A HN 0.718 nan 8.150 nan 0.000 0.449 543 D N -1.254 119.225 120.400 0.132 0.000 2.149 543 D HA -0.217 4.422 4.640 -0.001 0.000 0.198 543 D C 1.611 177.963 176.300 0.087 0.000 0.990 543 D CA 1.783 55.839 54.000 0.093 0.000 0.839 543 D CB -0.603 40.249 40.800 0.088 0.000 0.948 543 D HN 0.719 nan 8.370 nan 0.000 0.460 544 Y N -0.218 120.078 120.300 -0.005 0.000 2.184 544 Y HA -0.122 4.427 4.550 -0.001 0.000 0.290 544 Y C 1.872 177.663 175.900 -0.182 0.000 1.129 544 Y CA 1.188 59.227 58.100 -0.101 0.000 1.144 544 Y CB -0.475 37.896 38.460 -0.148 0.000 0.995 544 Y HN -0.106 nan 8.280 nan 0.000 0.513 545 W N 1.070 122.153 121.300 -0.362 0.000 2.358 545 W HA -0.114 4.545 4.660 -0.001 0.000 0.303 545 W C 2.565 178.709 176.519 -0.625 0.000 1.208 545 W CA 1.864 58.772 57.345 -0.728 0.000 1.274 545 W CB -0.605 28.017 29.460 -1.396 0.000 1.138 545 W HN -0.094 nan 8.180 nan 0.000 0.515 546 R N 0.186 120.565 120.500 -0.201 0.000 2.094 546 R HA -0.210 4.129 4.340 -0.001 0.000 0.239 546 R C 2.355 178.605 176.300 -0.084 0.000 1.137 546 R CA 1.871 57.945 56.100 -0.042 0.000 0.943 546 R CB -1.266 29.044 30.300 0.016 0.000 0.850 546 R HN 0.211 nan 8.270 nan 0.000 0.433 547 A N 1.005 123.737 122.820 -0.146 0.000 1.917 547 A HA -0.191 4.128 4.320 -0.001 0.000 0.219 547 A C 2.093 179.549 177.584 -0.213 0.000 1.182 547 A CA 1.436 53.372 52.037 -0.168 0.000 0.633 547 A CB -0.441 18.447 19.000 -0.187 0.000 0.819 547 A HN 0.136 nan 8.150 nan 0.000 0.448 548 L N -0.086 120.943 121.223 -0.323 0.000 2.093 548 L HA -0.192 4.148 4.340 -0.001 0.000 0.208 548 L C 2.865 179.680 176.870 -0.092 0.000 1.085 548 L CA 2.297 56.974 54.840 -0.271 0.000 0.755 548 L CB -0.669 41.136 42.059 -0.424 0.000 0.904 548 L HN 0.763 nan 8.230 nan 0.000 0.435 549 Q N -1.654 118.131 119.800 -0.025 0.000 2.245 549 Q HA -0.143 4.196 4.340 -0.001 0.000 0.201 549 Q C 1.650 177.673 176.000 0.038 0.000 0.955 549 Q CA 1.225 57.069 55.803 0.070 0.000 0.870 549 Q CB -0.289 28.558 28.738 0.182 0.000 0.945 549 Q HN 0.370 nan 8.270 nan 0.000 0.461 550 N N 1.243 119.943 118.700 0.000 0.000 2.084 550 N HA -0.102 4.638 4.740 -0.001 0.000 0.190 550 N C 1.718 177.218 175.510 -0.018 0.000 1.030 550 N CA 1.374 54.418 53.050 -0.010 0.000 0.849 550 N CB -0.263 38.207 38.487 -0.028 0.000 1.012 550 N HN 0.300 nan 8.380 nan 0.000 0.423 551 R N 0.587 121.055 120.500 -0.054 0.000 2.103 551 R HA -0.072 4.267 4.340 -0.001 0.000 0.242 551 R C 2.250 178.590 176.300 0.067 0.000 1.142 551 R CA 0.965 57.022 56.100 -0.073 0.000 0.960 551 R CB -0.641 29.549 30.300 -0.182 0.000 0.858 551 R HN 0.318 nan 8.270 nan 0.000 0.439 552 I N 0.302 120.922 120.570 0.082 0.000 2.202 552 I HA -0.250 3.919 4.170 -0.001 0.000 0.242 552 I C 2.542 178.709 176.117 0.083 0.000 1.091 552 I CA 1.325 62.688 61.300 0.105 0.000 1.368 552 I CB -0.232 37.821 38.000 0.088 0.000 1.058 552 I HN 0.092 nan 8.210 nan 0.000 0.410 553 R N 0.632 121.165 120.500 0.056 0.000 2.189 553 R HA -0.097 4.242 4.340 -0.001 0.000 0.218 553 R C 1.535 177.860 176.300 0.041 0.000 1.074 553 R CA 0.833 56.959 56.100 0.042 0.000 0.991 553 R CB -0.174 30.144 30.300 0.029 0.000 0.883 553 R HN 0.445 nan 8.270 nan 0.000 0.457 554 E N -0.223 120.001 120.200 0.040 0.000 2.512 554 E HA 0.038 4.388 4.350 -0.001 0.000 0.195 554 E C 0.458 177.097 176.600 0.064 0.000 1.083 554 E CA 0.265 56.686 56.400 0.035 0.000 0.873 554 E CB 0.387 30.093 29.700 0.011 0.000 0.897 554 E HN 0.447 nan 8.360 nan 0.000 0.514 555 G N 2.238 111.099 108.800 0.101 0.000 2.248 555 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.263 555 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.263 555 G C -0.308 174.697 174.900 0.175 0.000 1.082 555 G CA 0.610 45.790 45.100 0.134 0.000 0.863 555 G HN 0.591 nan 8.290 nan 0.000 0.495 556 H N -1.217 117.898 119.070 0.075 0.000 2.492 556 H HA 0.713 5.269 4.556 -0.001 0.000 0.345 556 H C -0.478 174.888 175.328 0.063 0.000 1.136 556 H CA -0.998 55.089 56.048 0.066 0.000 1.202 556 H CB 2.028 31.805 29.762 0.025 0.000 1.524 556 H HN 0.209 nan 8.280 nan 0.000 0.506 557 V N 4.347 123.934 119.914 -0.546 0.000 2.384 557 V HA 0.141 4.260 4.120 -0.001 0.000 0.287 557 V C -0.053 175.564 176.094 -0.796 0.000 1.020 557 V CA -0.821 61.184 62.300 -0.491 0.000 0.850 557 V CB 0.943 32.614 31.823 -0.254 0.000 0.987 557 V HN 0.823 nan 8.190 nan 0.000 0.436 558 E N 3.623 123.500 120.200 -0.538 0.000 2.290 558 E HA 0.143 4.492 4.350 -0.001 0.000 0.277 558 E C -0.258 176.143 176.600 -0.332 0.000 1.035 558 E CA -0.264 55.939 56.400 -0.328 0.000 0.873 558 E CB 0.478 30.140 29.700 -0.065 0.000 1.029 558 E HN 0.605 nan 8.360 nan 0.000 0.419 559 D N 3.102 123.301 120.400 -0.335 0.000 2.493 559 D HA 0.018 4.658 4.640 -0.001 0.000 0.240 559 D C -0.454 175.458 176.300 -0.647 0.000 1.142 559 D CA 0.330 54.041 54.000 -0.481 0.000 0.872 559 D CB 0.699 41.216 40.800 -0.472 0.000 1.173 559 D HN 0.099 nan 8.370 nan 0.000 0.467 560 V N 3.288 122.824 119.914 -0.631 0.000 2.483 560 V HA 0.277 4.396 4.120 -0.001 0.000 0.295 560 V C -0.621 175.032 176.094 -0.734 0.000 1.035 560 V CA -0.801 61.158 62.300 -0.569 0.000 0.896 560 V CB 0.998 32.629 31.823 -0.319 0.000 0.986 560 V HN 0.311 nan 8.190 nan 0.000 0.447 561 Y N 1.731 121.852 120.300 -0.300 0.000 2.328 561 Y HA 0.608 5.157 4.550 -0.001 0.000 0.333 561 Y C 0.710 176.254 175.900 -0.594 0.000 0.958 561 Y CA -0.859 56.864 58.100 -0.628 0.000 1.167 561 Y CB 1.749 39.745 38.460 -0.774 0.000 1.151 561 Y HN 0.678 nan 8.280 nan 0.000 0.470 562 A N 4.260 126.859 122.820 -0.369 0.000 2.416 562 A HA 0.315 4.634 4.320 -0.001 0.000 0.252 562 A C -0.723 176.870 177.584 0.014 0.000 1.353 562 A CA 0.162 52.125 52.037 -0.122 0.000 0.996 562 A CB -1.420 17.577 19.000 -0.005 0.000 0.961 562 A HN 0.714 nan 8.150 nan 0.000 0.523 563 Y N -3.282 117.083 120.300 0.108 0.000 2.689 563 Y HA 0.607 5.156 4.550 -0.001 0.000 0.333 563 Y C -0.185 175.729 175.900 0.023 0.000 1.208 563 Y CA -2.046 56.083 58.100 0.048 0.000 1.055 563 Y CB 0.526 39.017 38.460 0.051 0.000 1.304 563 Y HN 0.201 nan 8.280 nan 0.000 0.455 564 R N 1.245 121.848 120.500 0.173 0.000 2.543 564 R HA 0.362 4.701 4.340 -0.001 0.000 0.277 564 R C 0.212 176.554 176.300 0.069 0.000 1.074 564 R CA -0.737 55.408 56.100 0.075 0.000 1.076 564 R CB 0.840 31.167 30.300 0.046 0.000 0.993 564 R HN 0.742 nan 8.270 nan 0.000 0.459 565 R N 2.351 122.837 120.500 -0.023 0.000 2.200 565 R HA -0.181 4.159 4.340 -0.001 0.000 0.234 565 R C 1.961 178.207 176.300 -0.091 0.000 1.127 565 R CA 1.849 57.882 56.100 -0.112 0.000 0.989 565 R CB -0.677 29.554 30.300 -0.116 0.000 0.869 565 R HN 0.775 nan 8.270 nan 0.000 0.459 566 R N 0.648 121.121 120.500 -0.046 0.000 2.153 566 R HA 0.017 4.356 4.340 -0.001 0.000 0.218 566 R C 1.647 177.912 176.300 -0.058 0.000 1.072 566 R CA 0.583 56.654 56.100 -0.048 0.000 0.990 566 R CB -0.114 30.168 30.300 -0.030 0.000 0.889 566 R HN 0.002 nan 8.270 nan 0.000 0.452 567 Q N 1.271 121.041 119.800 -0.050 0.000 2.226 567 Q HA -0.062 4.277 4.340 -0.001 0.000 0.204 567 Q C 0.402 176.253 176.000 -0.247 0.000 0.975 567 Q CA 0.756 56.495 55.803 -0.106 0.000 0.866 567 Q CB -0.253 28.430 28.738 -0.092 0.000 0.915 567 Q HN 0.280 nan 8.270 nan 0.000 0.440 568 R N 0.187 120.555 120.500 -0.221 0.000 2.583 568 R HA -0.078 4.261 4.340 -0.001 0.000 0.274 568 R C 0.732 176.883 176.300 -0.249 0.000 0.998 568 R CA 0.038 55.960 56.100 -0.296 0.000 1.081 568 R CB 0.058 30.220 30.300 -0.231 0.000 0.940 568 R HN 0.068 nan 8.270 nan 0.000 0.413 569 F N 1.197 120.980 119.950 -0.279 0.000 2.271 569 F HA -0.230 4.297 4.527 -0.001 0.000 0.302 569 F C 1.442 176.987 175.800 -0.425 0.000 1.063 569 F CA 0.727 58.444 58.000 -0.472 0.000 1.362 569 F CB -0.029 38.456 39.000 -0.860 0.000 1.060 569 F HN 0.507 nan 8.300 nan 0.000 0.521 570 S N 0.580 116.220 115.700 -0.100 0.000 2.400 570 S HA 0.507 4.976 4.470 -0.001 0.000 0.295 570 S C -0.492 174.082 174.600 -0.044 0.000 1.113 570 S CA -0.461 57.699 58.200 -0.066 0.000 1.064 570 S CB 1.051 64.214 63.200 -0.060 0.000 0.990 570 S HN 0.108 nan 8.310 nan 0.000 0.502 571 V N 0.000 119.906 119.914 -0.014 0.000 2.409 571 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 571 V CA 0.000 62.297 62.300 -0.006 0.000 1.235 571 V CB 0.000 31.818 31.823 -0.008 0.000 1.184 571 V HN 0.000 nan 8.190 nan 0.000 0.556