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 2z1x_1_A DATA FIRST_RESID 11 DATA SEQUENCE RPRFSFSIAA REGKARTGTI EMKRGVIRTP AFMPVGTAAT VKALKPETVR DATA SEQUENCE ATGADIILGN TYHLMLRPGA ERIAKLGGLH SFMGWDRPIL TDSGGYQVMS DATA SEQUENCE LSXXTKQSEE GVTFKSXXXX XXXMLSPERS IEIQHLLGSD IVMAFDECTP DATA SEQUENCE YPATPSRAAS SMERSMRWAK RSRDAFDSRK EQAENAALFG IQQGSVFENL DATA SEQUENCE RQQSADALAE IGFDGYAVGG LAVGQGQDEM FRVLDFSVPM LPDDKPHYLM DATA SEQUENCE GVGKPDDIVG AVERGIDMFD CVLPTRSGRN GQAFTWDGPI NIRNARFSED DATA SEQUENCE LKPLDSECHC AVCQKWSRAY IHHLIRAGEI LGAMLMTEHN IAFYQQLMQK DATA SEQUENCE IRDSISEGRF SQFAQDFRAR YFA 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 11 R HA 0.000 nan 4.340 nan 0.000 0.208 11 R C 0.000 176.312 176.300 0.021 0.000 0.893 11 R CA 0.000 56.104 56.100 0.006 0.000 0.921 11 R CB 0.000 30.300 30.300 0.000 0.000 0.687 12 P HA 0.149 nan 4.420 nan 0.000 0.271 12 P C 0.136 177.481 177.300 0.075 0.000 1.218 12 P CA -0.387 62.739 63.100 0.044 0.000 0.780 12 P CB 0.780 32.498 31.700 0.030 0.000 0.901 13 R N 1.915 122.481 120.500 0.111 0.000 2.080 13 R HA -0.054 4.341 4.340 0.090 0.000 0.236 13 R C -0.276 176.188 176.300 0.274 0.000 1.137 13 R CA 1.402 57.603 56.100 0.168 0.000 0.943 13 R CB -0.122 30.283 30.300 0.176 0.000 0.846 13 R HN 0.491 nan 8.270 nan 0.000 0.431 14 F N 0.072 120.077 119.950 0.091 0.000 3.482 14 F HA 0.236 4.816 4.527 0.090 0.000 0.383 14 F C -1.574 174.296 175.800 0.117 0.000 1.242 14 F CA -0.514 57.553 58.000 0.112 0.000 1.339 14 F CB 1.453 40.534 39.000 0.134 0.000 1.855 14 F HN -0.131 nan 8.300 nan 0.000 0.731 15 S N 6.462 122.049 115.700 -0.188 0.000 2.707 15 S HA 0.544 5.069 4.470 0.090 0.000 0.312 15 S C -1.506 173.013 174.600 -0.135 0.000 1.116 15 S CA -0.356 57.797 58.200 -0.078 0.000 1.078 15 S CB 0.414 63.604 63.200 -0.017 0.000 0.997 15 S HN 0.448 nan 8.310 nan 0.000 0.477 16 F N 4.750 124.548 119.950 -0.253 0.000 2.410 16 F HA 0.693 5.274 4.527 0.090 0.000 0.349 16 F C 0.024 175.762 175.800 -0.103 0.000 1.117 16 F CA -0.642 57.232 58.000 -0.211 0.000 1.104 16 F CB 1.468 40.388 39.000 -0.133 0.000 1.122 16 F HN 0.480 nan 8.300 nan 0.000 0.483 17 S N 7.007 122.423 115.700 -0.474 0.000 2.561 17 S HA 0.638 5.162 4.470 0.090 0.000 0.303 17 S C -0.750 173.441 174.600 -0.682 0.000 1.110 17 S CA -0.668 57.239 58.200 -0.488 0.000 1.034 17 S CB 0.515 63.577 63.200 -0.230 0.000 1.010 17 S HN 0.530 nan 8.310 nan 0.000 0.482 18 I N 4.758 124.942 120.570 -0.643 0.000 2.304 18 I HA 0.338 4.562 4.170 0.090 0.000 0.291 18 I C 1.160 177.131 176.117 -0.244 0.000 1.018 18 I CA -0.458 60.566 61.300 -0.461 0.000 1.260 18 I CB 1.448 39.212 38.000 -0.394 0.000 1.390 18 I HN 0.828 nan 8.210 nan 0.000 0.475 19 A N 5.445 128.157 122.820 -0.180 0.000 1.975 19 A HA 0.601 4.975 4.320 0.090 0.000 0.215 19 A C 0.980 178.509 177.584 -0.091 0.000 1.170 19 A CA 0.908 52.873 52.037 -0.119 0.000 0.656 19 A CB 0.155 19.097 19.000 -0.097 0.000 0.821 19 A HN 0.754 nan 8.150 nan 0.000 0.449 20 A N -1.100 121.668 122.820 -0.088 0.000 2.594 20 A HA 0.712 5.086 4.320 0.090 0.000 0.296 20 A C -0.712 176.841 177.584 -0.052 0.000 1.061 20 A CA -0.704 51.297 52.037 -0.060 0.000 0.689 20 A CB 1.031 20.001 19.000 -0.051 0.000 1.280 20 A HN 0.271 nan 8.150 nan 0.000 0.406 21 R N 0.234 120.718 120.500 -0.027 0.000 2.807 21 R HA 0.732 5.127 4.340 0.090 0.000 0.276 21 R C -1.216 175.099 176.300 0.024 0.000 0.979 21 R CA -0.652 55.445 56.100 -0.005 0.000 0.928 21 R CB 2.489 32.789 30.300 0.001 0.000 1.191 21 R HN 0.794 nan 8.270 nan 0.000 0.471 22 E N 0.980 121.214 120.200 0.057 0.000 2.378 22 E HA 0.296 4.701 4.350 0.090 0.000 0.282 22 E C -0.113 176.560 176.600 0.121 0.000 0.910 22 E CA 0.110 56.569 56.400 0.098 0.000 0.816 22 E CB 1.122 30.912 29.700 0.150 0.000 1.359 22 E HN 0.792 nan 8.360 nan 0.000 0.397 23 G N 4.614 113.465 108.800 0.085 0.000 2.583 23 G HA2 -0.392 3.622 3.960 0.090 0.000 0.292 23 G HA3 -0.392 3.622 3.960 0.090 0.000 0.292 23 G C 0.641 175.588 174.900 0.078 0.000 1.203 23 G CA 0.485 45.632 45.100 0.079 0.000 0.987 23 G HN 0.575 nan 8.290 nan 0.000 0.554 24 K N 1.346 121.799 120.400 0.089 0.000 2.418 24 K HA 0.459 4.833 4.320 0.090 0.000 0.195 24 K C 1.443 178.104 176.600 0.101 0.000 1.035 24 K CA 0.584 56.923 56.287 0.088 0.000 1.003 24 K CB 0.120 32.666 32.500 0.076 0.000 0.793 24 K HN 0.774 nan 8.250 nan 0.000 0.494 25 A N 1.889 124.779 122.820 0.118 0.000 2.371 25 A HA 0.374 4.748 4.320 0.090 0.000 0.257 25 A C -0.354 177.237 177.584 0.012 0.000 1.089 25 A CA -0.182 51.892 52.037 0.062 0.000 0.794 25 A CB 0.328 19.352 19.000 0.041 0.000 1.029 25 A HN 0.151 nan 8.150 nan 0.000 0.488 26 R N -0.059 120.428 120.500 -0.021 0.000 2.795 26 R HA 0.763 5.157 4.340 0.090 0.000 0.275 26 R C -0.578 175.690 176.300 -0.053 0.000 0.981 26 R CA -0.413 55.673 56.100 -0.023 0.000 0.917 26 R CB 2.091 32.407 30.300 0.026 0.000 1.202 26 R HN 0.698 nan 8.270 nan 0.000 0.469 27 T N -0.291 114.224 114.554 -0.064 0.000 2.909 27 T HA 0.834 5.238 4.350 0.090 0.000 0.299 27 T C -0.567 174.094 174.700 -0.065 0.000 1.073 27 T CA 0.097 62.161 62.100 -0.060 0.000 0.999 27 T CB 1.521 70.329 68.868 -0.100 0.000 1.098 27 T HN 0.764 nan 8.240 nan 0.000 0.477 28 G N 1.677 110.461 108.800 -0.028 0.000 2.435 28 G HA2 0.566 4.580 3.960 0.090 0.000 0.228 28 G HA3 0.566 4.580 3.960 0.090 0.000 0.228 28 G C -0.908 173.998 174.900 0.011 0.000 1.198 28 G CA 0.102 45.161 45.100 -0.069 0.000 0.948 28 G HN 1.295 nan 8.290 nan 0.000 0.487 29 T N -1.608 112.953 114.554 0.012 0.000 2.956 29 T HA 0.691 5.095 4.350 0.090 0.000 0.312 29 T C -1.074 173.693 174.700 0.111 0.000 1.151 29 T CA -0.517 61.609 62.100 0.044 0.000 1.024 29 T CB 1.827 70.684 68.868 -0.018 0.000 1.140 29 T HN 0.691 nan 8.240 nan 0.000 0.473 30 I N 2.029 122.631 120.570 0.053 0.000 2.354 30 I HA 0.340 4.564 4.170 0.090 0.000 0.286 30 I C -0.034 176.012 176.117 -0.118 0.000 1.007 30 I CA -0.745 60.498 61.300 -0.096 0.000 1.167 30 I CB 1.482 39.337 38.000 -0.242 0.000 1.320 30 I HN 0.661 nan 8.210 nan 0.000 0.458 31 E N 7.475 127.594 120.200 -0.134 0.000 2.229 31 E HA 0.540 4.944 4.350 0.090 0.000 0.283 31 E C -0.649 175.908 176.600 -0.071 0.000 1.030 31 E CA -0.238 56.115 56.400 -0.078 0.000 0.836 31 E CB 1.423 31.093 29.700 -0.049 0.000 1.068 31 E HN 0.478 nan 8.360 nan 0.000 0.401 32 M N 1.726 121.320 119.600 -0.010 0.000 2.727 32 M HA 0.298 4.833 4.480 0.090 0.000 0.300 32 M C 0.762 177.084 176.300 0.037 0.000 1.246 32 M CA -0.864 54.468 55.300 0.053 0.000 0.835 32 M CB 1.673 34.332 32.600 0.098 0.000 1.755 32 M HN 0.285 nan 8.290 nan 0.000 0.473 33 K N 0.199 120.628 120.400 0.049 0.000 2.147 33 K HA -0.057 4.317 4.320 0.090 0.000 0.205 33 K C 1.375 177.966 176.600 -0.014 0.000 1.049 33 K CA 1.497 57.793 56.287 0.015 0.000 0.936 33 K CB 0.093 32.602 32.500 0.015 0.000 0.722 33 K HN 0.406 nan 8.250 nan 0.000 0.446 34 R N -0.286 120.205 120.500 -0.015 0.000 2.359 34 R HA 0.143 4.537 4.340 0.090 0.000 0.231 34 R C 0.093 176.368 176.300 -0.042 0.000 0.913 34 R CA 0.116 56.184 56.100 -0.053 0.000 1.075 34 R CB 1.051 31.303 30.300 -0.080 0.000 1.087 34 R HN 0.210 nan 8.270 nan 0.000 0.515 35 G N -0.539 108.252 108.800 -0.015 0.000 2.361 35 G HA2 0.016 4.031 3.960 0.090 0.000 0.305 35 G HA3 0.016 4.031 3.960 0.090 0.000 0.305 35 G C -1.517 173.383 174.900 0.000 0.000 1.367 35 G CA -1.037 44.052 45.100 -0.018 0.000 0.951 35 G HN -0.090 nan 8.290 nan 0.000 0.615 36 V N 0.465 120.376 119.914 -0.004 0.000 2.481 36 V HA 0.597 4.771 4.120 0.090 0.000 0.286 36 V C 0.345 176.450 176.094 0.018 0.000 1.042 36 V CA -0.411 61.887 62.300 -0.002 0.000 0.928 36 V CB 1.366 33.183 31.823 -0.010 0.000 0.986 36 V HN 0.581 nan 8.190 nan 0.000 0.462 37 I N 5.113 125.693 120.570 0.017 0.000 2.355 37 I HA 0.460 4.684 4.170 0.090 0.000 0.288 37 I C 0.269 176.408 176.117 0.036 0.000 0.999 37 I CA -0.424 60.896 61.300 0.034 0.000 1.163 37 I CB 1.179 39.195 38.000 0.027 0.000 1.316 37 I HN 0.496 nan 8.210 nan 0.000 0.454 38 R N 3.961 124.485 120.500 0.041 0.000 2.340 38 R HA 0.427 4.821 4.340 0.090 0.000 0.300 38 R C -0.031 176.301 176.300 0.053 0.000 1.069 38 R CA -0.358 55.764 56.100 0.037 0.000 0.984 38 R CB 1.023 31.337 30.300 0.022 0.000 1.003 38 R HN 0.649 nan 8.270 nan 0.000 0.459 39 T N 0.485 115.078 114.554 0.065 0.000 2.888 39 T HA 0.452 4.857 4.350 0.090 0.000 0.284 39 T C -2.597 172.127 174.700 0.040 0.000 1.017 39 T CA -2.867 59.281 62.100 0.081 0.000 1.022 39 T CB 2.110 71.062 68.868 0.141 0.000 1.013 39 T HN 0.192 nan 8.240 nan 0.000 0.465 40 P HA 0.398 nan 4.420 nan 0.000 0.268 40 P C -1.009 176.377 177.300 0.144 0.000 1.204 40 P CA -0.148 63.017 63.100 0.108 0.000 0.768 40 P CB 0.390 32.173 31.700 0.138 0.000 0.842 41 A N 3.731 126.665 122.820 0.190 0.000 2.330 41 A HA 0.649 5.023 4.320 0.090 0.000 0.327 41 A C -1.314 176.460 177.584 0.316 0.000 1.155 41 A CA -0.476 51.669 52.037 0.179 0.000 0.803 41 A CB 0.354 19.398 19.000 0.072 0.000 1.208 41 A HN 0.476 nan 8.150 nan 0.000 0.477 42 F N 2.674 122.710 119.950 0.143 0.000 2.444 42 F HA 0.655 5.234 4.527 0.086 0.000 0.342 42 F C -0.227 175.617 175.800 0.074 0.000 1.121 42 F CA -0.908 57.187 58.000 0.160 0.000 0.997 42 F CB 1.487 40.575 39.000 0.147 0.000 1.130 42 F HN 0.492 nan 8.300 nan 0.000 0.454 43 M N 8.529 127.633 119.600 -0.827 0.000 2.061 43 M HA 0.341 4.875 4.480 0.090 0.000 0.346 43 M C -2.471 173.299 176.300 -0.882 0.000 1.112 43 M CA -1.848 53.061 55.300 -0.652 0.000 1.021 43 M CB 1.073 33.394 32.600 -0.464 0.000 1.530 43 M HN 0.318 nan 8.290 nan 0.000 0.437 44 P HA 0.053 nan 4.420 nan 0.000 0.266 44 P C -0.673 176.451 177.300 -0.295 0.000 1.195 44 P CA -0.208 62.742 63.100 -0.249 0.000 0.768 44 P CB 0.527 32.146 31.700 -0.135 0.000 0.838 45 V N 3.108 122.900 119.914 -0.203 0.000 2.465 45 V HA 0.531 4.705 4.120 0.090 0.000 0.279 45 V C 1.095 177.088 176.094 -0.168 0.000 1.045 45 V CA 0.060 62.252 62.300 -0.181 0.000 0.938 45 V CB 1.136 32.886 31.823 -0.122 0.000 0.986 45 V HN 0.752 nan 8.190 nan 0.000 0.467 46 G N 2.450 111.141 108.800 -0.182 0.000 3.678 46 G HA2 0.349 4.363 3.960 0.090 0.000 0.344 46 G HA3 0.349 4.363 3.960 0.090 0.000 0.344 46 G C 0.643 175.467 174.900 -0.126 0.000 1.450 46 G CA -0.016 44.986 45.100 -0.163 0.000 1.078 46 G HN 0.664 nan 8.290 nan 0.000 0.474 47 T N 1.840 116.313 114.554 -0.136 0.000 2.364 47 T HA -0.269 4.135 4.350 0.090 0.000 0.234 47 T C 1.923 176.546 174.700 -0.128 0.000 1.421 47 T CA 2.226 64.210 62.100 -0.193 0.000 1.176 47 T CB -0.076 68.657 68.868 -0.225 0.000 0.859 47 T HN 0.731 nan 8.240 nan 0.000 0.407 48 A N 0.085 122.861 122.820 -0.074 0.000 3.290 48 A HA 0.702 5.076 4.320 0.090 0.000 0.297 48 A C 0.910 178.523 177.584 0.049 0.000 1.285 48 A CA 0.476 52.526 52.037 0.022 0.000 1.060 48 A CB -0.896 18.133 19.000 0.048 0.000 1.114 48 A HN 1.417 nan 8.150 nan 0.000 0.601 49 A N -0.501 122.342 122.820 0.038 0.000 2.930 49 A HA -0.048 4.327 4.320 0.090 0.000 0.273 49 A C 0.550 178.126 177.584 -0.014 0.000 1.435 49 A CA 1.352 53.425 52.037 0.060 0.000 0.780 49 A CB -2.189 16.953 19.000 0.237 0.000 1.034 49 A HN 2.199 nan 8.150 nan 0.000 0.562 50 T N -1.457 113.066 114.554 -0.052 0.000 3.159 50 T HA 0.482 4.886 4.350 0.090 0.000 0.343 50 T C -0.602 174.040 174.700 -0.096 0.000 1.364 50 T CA 0.277 62.334 62.100 -0.072 0.000 1.102 50 T CB 1.284 70.117 68.868 -0.058 0.000 1.263 50 T HN 1.249 nan 8.240 nan 0.000 0.477 51 V N 6.065 125.910 119.914 -0.115 0.000 2.415 51 V HA 0.286 4.460 4.120 0.090 0.000 0.267 51 V C 0.882 176.933 176.094 -0.072 0.000 1.042 51 V CA -0.347 61.884 62.300 -0.116 0.000 1.000 51 V CB 0.240 31.975 31.823 -0.148 0.000 1.015 51 V HN 0.795 nan 8.190 nan 0.000 0.478 52 K N 4.297 124.659 120.400 -0.065 0.000 2.472 52 K HA 0.288 4.663 4.320 0.090 0.000 0.280 52 K C 1.107 177.685 176.600 -0.038 0.000 1.028 52 K CA 0.809 57.067 56.287 -0.049 0.000 1.045 52 K CB 0.260 32.731 32.500 -0.047 0.000 0.902 52 K HN 1.059 nan 8.250 nan 0.000 0.478 53 A N 2.431 125.231 122.820 -0.033 0.000 3.201 53 A HA -0.184 4.190 4.320 0.090 0.000 0.260 53 A C -0.206 177.369 177.584 -0.015 0.000 1.222 53 A CA 0.724 52.745 52.037 -0.028 0.000 1.124 53 A CB -2.037 16.943 19.000 -0.033 0.000 1.155 53 A HN 0.554 nan 8.150 nan 0.000 0.924 54 L N -0.469 120.748 121.223 -0.010 0.000 2.410 54 L HA 0.443 4.837 4.340 0.090 0.000 0.270 54 L C 0.316 177.197 176.870 0.020 0.000 0.983 54 L CA -0.884 53.963 54.840 0.012 0.000 0.822 54 L CB 1.886 43.955 42.059 0.017 0.000 1.285 54 L HN 0.239 nan 8.230 nan 0.000 0.409 55 K N 2.952 123.376 120.400 0.040 0.000 2.355 55 K HA 0.097 4.471 4.320 0.090 0.000 0.270 55 K C -1.558 175.106 176.600 0.106 0.000 1.003 55 K CA -1.343 54.979 56.287 0.059 0.000 0.957 55 K CB 0.786 33.322 32.500 0.061 0.000 0.939 55 K HN 0.260 nan 8.250 nan 0.000 0.482 56 P HA -0.264 nan 4.420 nan 0.000 0.216 56 P C 0.882 178.369 177.300 0.312 0.000 1.150 56 P CA 1.399 64.689 63.100 0.318 0.000 0.843 56 P CB 0.059 31.992 31.700 0.388 0.000 0.787 57 E N -0.889 119.416 120.200 0.176 0.000 2.153 57 E HA -0.135 4.269 4.350 0.090 0.000 0.194 57 E C 1.257 177.943 176.600 0.143 0.000 0.988 57 E CA 1.508 57.986 56.400 0.129 0.000 0.811 57 E CB -1.411 28.337 29.700 0.080 0.000 0.746 57 E HN 0.149 nan 8.360 nan 0.000 0.466 58 T N 1.233 115.870 114.554 0.138 0.000 2.812 58 T HA -0.052 4.352 4.350 0.090 0.000 0.264 58 T C 2.115 176.907 174.700 0.153 0.000 1.042 58 T CA 1.142 63.321 62.100 0.130 0.000 1.140 58 T CB -0.177 68.754 68.868 0.106 0.000 0.870 58 T HN 0.032 nan 8.240 nan 0.000 0.445 59 V N 2.003 122.022 119.914 0.176 0.000 2.282 59 V HA -0.219 3.955 4.120 0.090 0.000 0.249 59 V C 2.682 178.950 176.094 0.290 0.000 1.057 59 V CA 1.820 64.229 62.300 0.182 0.000 1.032 59 V CB -0.601 31.275 31.823 0.088 0.000 0.645 59 V HN 0.262 nan 8.190 nan 0.000 0.447 60 R N 1.088 121.826 120.500 0.397 0.000 2.081 60 R HA -0.064 4.330 4.340 0.090 0.000 0.235 60 R C 2.147 178.552 176.300 0.175 0.000 1.131 60 R CA 1.914 58.194 56.100 0.301 0.000 0.960 60 R CB -1.101 29.280 30.300 0.135 0.000 0.856 60 R HN 0.444 nan 8.270 nan 0.000 0.436 61 A N -0.456 122.452 122.820 0.147 0.000 1.972 61 A HA -0.152 4.222 4.320 0.090 0.000 0.219 61 A C 2.094 179.752 177.584 0.124 0.000 1.169 61 A CA 2.045 54.151 52.037 0.116 0.000 0.635 61 A CB -1.155 17.911 19.000 0.110 0.000 0.810 61 A HN 0.636 nan 8.150 nan 0.000 0.446 62 T N -4.444 110.195 114.554 0.141 0.000 3.035 62 T HA 0.332 4.736 4.350 0.090 0.000 0.268 62 T C 1.419 176.197 174.700 0.130 0.000 1.109 62 T CA 1.376 63.557 62.100 0.135 0.000 1.119 62 T CB -0.030 68.917 68.868 0.131 0.000 0.900 62 T HN 1.658 nan 8.240 nan 0.000 0.503 63 G N 0.710 109.593 108.800 0.138 0.000 2.192 63 G HA2 0.095 4.109 3.960 0.090 0.000 0.193 63 G HA3 0.095 4.109 3.960 0.090 0.000 0.193 63 G C 0.259 175.252 174.900 0.155 0.000 0.999 63 G CA -0.190 44.985 45.100 0.125 0.000 0.659 63 G HN 1.084 nan 8.290 nan 0.000 0.503 64 A N 0.453 123.394 122.820 0.202 0.000 2.520 64 A HA 0.507 4.881 4.320 0.090 0.000 0.245 64 A C 1.037 178.810 177.584 0.315 0.000 1.072 64 A CA 1.042 53.218 52.037 0.232 0.000 0.761 64 A CB 0.270 19.383 19.000 0.188 0.000 1.004 64 A HN 0.176 nan 8.150 nan 0.000 0.499 65 D N 0.551 121.098 120.400 0.245 0.000 2.366 65 D HA 0.213 4.907 4.640 0.090 0.000 0.205 65 D C 0.221 176.732 176.300 0.351 0.000 1.022 65 D CA 0.863 55.006 54.000 0.238 0.000 0.868 65 D CB 0.419 41.295 40.800 0.128 0.000 0.953 65 D HN 0.584 nan 8.370 nan 0.000 0.514 66 I N 0.444 121.206 120.570 0.319 0.000 2.828 66 I HA 0.268 4.492 4.170 0.090 0.000 0.295 66 I C -1.783 174.284 176.117 -0.084 0.000 1.459 66 I CA -0.934 60.504 61.300 0.230 0.000 1.015 66 I CB 2.153 40.205 38.000 0.087 0.000 1.345 66 I HN -0.225 nan 8.210 nan 0.000 0.449 67 I N 4.137 124.535 120.570 -0.287 0.000 2.957 67 I HA 0.593 4.817 4.170 0.090 0.000 0.310 67 I C -1.788 174.128 176.117 -0.336 0.000 1.063 67 I CA -0.971 60.041 61.300 -0.480 0.000 1.033 67 I CB 2.105 39.583 38.000 -0.871 0.000 1.230 67 I HN 0.635 nan 8.210 nan 0.000 0.447 68 L N 2.836 123.875 121.223 -0.307 0.000 2.295 68 L HA 0.823 5.217 4.340 0.090 0.000 0.285 68 L C 0.032 176.794 176.870 -0.180 0.000 1.035 68 L CA -0.087 54.624 54.840 -0.215 0.000 0.806 68 L CB 1.280 43.229 42.059 -0.184 0.000 1.214 68 L HN 0.917 nan 8.230 nan 0.000 0.426 69 G N 1.629 110.355 108.800 -0.124 0.000 2.432 69 G HA2 0.507 4.521 3.960 0.090 0.000 0.331 69 G HA3 0.507 4.521 3.960 0.090 0.000 0.331 69 G C -0.895 174.000 174.900 -0.008 0.000 1.170 69 G CA -0.284 44.772 45.100 -0.073 0.000 0.943 69 G HN 0.833 nan 8.290 nan 0.000 0.483 70 N N 0.294 119.018 118.700 0.040 0.000 2.457 70 N HA 0.419 5.213 4.740 0.090 0.000 0.250 70 N C 1.175 176.785 175.510 0.167 0.000 0.982 70 N CA -0.008 53.123 53.050 0.135 0.000 0.941 70 N CB 0.888 39.505 38.487 0.218 0.000 1.120 70 N HN 0.459 nan 8.380 nan 0.000 0.505 71 T N 0.279 114.926 114.554 0.154 0.000 2.665 71 T HA -0.213 4.191 4.350 0.090 0.000 0.268 71 T C 1.615 176.410 174.700 0.157 0.000 1.035 71 T CA 2.033 64.218 62.100 0.141 0.000 1.151 71 T CB -0.497 68.461 68.868 0.150 0.000 0.862 71 T HN 0.737 nan 8.240 nan 0.000 0.438 72 Y N 1.362 121.704 120.300 0.070 0.000 2.128 72 Y HA -0.232 4.372 4.550 0.089 0.000 0.284 72 Y C 2.593 178.463 175.900 -0.050 0.000 1.154 72 Y CA 1.615 59.698 58.100 -0.027 0.000 1.149 72 Y CB -0.455 37.939 38.460 -0.110 0.000 0.976 72 Y HN 0.415 nan 8.280 nan 0.000 0.505 73 H N -0.455 118.678 119.070 0.104 0.000 2.326 73 H HA -0.094 4.518 4.556 0.092 0.000 0.301 73 H C 2.293 177.600 175.328 -0.036 0.000 1.081 73 H CA 1.870 57.923 56.048 0.009 0.000 1.334 73 H CB -0.263 29.556 29.762 0.095 0.000 1.385 73 H HN 0.365 nan 8.280 nan 0.000 0.504 74 L N 1.122 122.420 121.223 0.125 0.000 2.291 74 L HA -0.133 4.262 4.340 0.090 0.000 0.214 74 L C 2.765 179.630 176.870 -0.009 0.000 1.120 74 L CA 0.608 55.480 54.840 0.054 0.000 0.799 74 L CB -0.293 41.796 42.059 0.050 0.000 0.925 74 L HN 0.306 nan 8.230 nan 0.000 0.446 75 M N -1.740 117.843 119.600 -0.027 0.000 2.419 75 M HA -0.072 4.463 4.480 0.090 0.000 0.264 75 M C 1.696 177.955 176.300 -0.068 0.000 1.082 75 M CA 1.655 56.931 55.300 -0.041 0.000 1.119 75 M CB -0.165 32.427 32.600 -0.013 0.000 1.398 75 M HN 0.149 nan 8.290 nan 0.000 0.453 76 L N 0.580 121.736 121.223 -0.112 0.000 2.221 76 L HA 0.232 4.626 4.340 0.090 0.000 0.202 76 L C 1.404 178.240 176.870 -0.056 0.000 1.074 76 L CA 0.585 55.361 54.840 -0.108 0.000 0.795 76 L CB -0.281 41.660 42.059 -0.197 0.000 0.960 76 L HN 0.442 nan 8.230 nan 0.000 0.458 77 R N 0.616 121.100 120.500 -0.026 0.000 2.512 77 R HA 0.402 4.797 4.340 0.090 0.000 0.291 77 R C -2.629 173.695 176.300 0.041 0.000 1.097 77 R CA -1.265 54.843 56.100 0.013 0.000 0.940 77 R CB -0.298 30.024 30.300 0.035 0.000 1.198 77 R HN -0.128 nan 8.270 nan 0.000 0.429 78 P HA 0.218 nan 4.420 nan 0.000 0.255 78 P C 0.390 177.650 177.300 -0.067 0.000 1.248 78 P CA 0.812 63.902 63.100 -0.017 0.000 0.807 78 P CB 0.684 32.367 31.700 -0.027 0.000 1.150 79 G N -0.135 108.620 108.800 -0.075 0.000 2.906 79 G HA2 0.082 4.096 3.960 0.090 0.000 0.686 79 G HA3 0.082 4.096 3.960 0.090 0.000 0.686 79 G C 0.655 175.491 174.900 -0.106 0.000 1.170 79 G CA -0.440 44.612 45.100 -0.080 0.000 0.775 79 G HN 0.164 nan 8.290 nan 0.000 0.630 80 A N 1.054 123.826 122.820 -0.080 0.000 1.873 80 A HA 0.107 4.481 4.320 0.090 0.000 0.215 80 A C 2.130 179.655 177.584 -0.097 0.000 1.186 80 A CA 2.184 54.172 52.037 -0.082 0.000 0.616 80 A CB -0.324 18.648 19.000 -0.047 0.000 0.823 80 A HN 0.767 nan 8.150 nan 0.000 0.442 81 E N -0.311 119.839 120.200 -0.084 0.000 2.085 81 E HA -0.230 4.175 4.350 0.090 0.000 0.194 81 E C 2.168 178.707 176.600 -0.101 0.000 0.994 81 E CA 1.362 57.712 56.400 -0.083 0.000 0.801 81 E CB -0.335 29.325 29.700 -0.066 0.000 0.743 81 E HN 0.679 nan 8.360 nan 0.000 0.453 82 R N 0.664 121.094 120.500 -0.116 0.000 2.073 82 R HA -0.087 4.307 4.340 0.090 0.000 0.234 82 R C 2.508 178.677 176.300 -0.218 0.000 1.134 82 R CA 1.116 57.132 56.100 -0.140 0.000 0.952 82 R CB -0.269 29.948 30.300 -0.138 0.000 0.850 82 R HN 0.097 nan 8.270 nan 0.000 0.433 83 I N 0.836 121.228 120.570 -0.297 0.000 2.226 83 I HA -0.254 3.971 4.170 0.090 0.000 0.245 83 I C 2.549 178.536 176.117 -0.217 0.000 1.100 83 I CA 1.298 62.350 61.300 -0.413 0.000 1.374 83 I CB -0.349 37.399 38.000 -0.420 0.000 1.057 83 I HN 0.341 nan 8.210 nan 0.000 0.413 84 A N 0.739 123.470 122.820 -0.148 0.000 1.908 84 A HA -0.291 4.083 4.320 0.090 0.000 0.218 84 A C 2.369 179.903 177.584 -0.083 0.000 1.181 84 A CA 2.115 54.090 52.037 -0.104 0.000 0.627 84 A CB -0.584 18.350 19.000 -0.109 0.000 0.818 84 A HN 0.411 nan 8.150 nan 0.000 0.445 85 K N -0.276 120.072 120.400 -0.087 0.000 2.097 85 K HA -0.032 4.342 4.320 0.090 0.000 0.206 85 K C 1.350 177.925 176.600 -0.041 0.000 1.049 85 K CA 1.327 57.579 56.287 -0.059 0.000 0.933 85 K CB -0.281 32.185 32.500 -0.057 0.000 0.717 85 K HN 0.472 nan 8.250 nan 0.000 0.442 86 L N -0.360 120.828 121.223 -0.059 0.000 2.591 86 L HA 0.161 4.555 4.340 0.090 0.000 0.228 86 L C 1.000 177.894 176.870 0.040 0.000 1.133 86 L CA 0.473 55.313 54.840 -0.000 0.000 0.880 86 L CB 0.362 42.417 42.059 -0.007 0.000 1.033 86 L HN 0.647 nan 8.230 nan 0.000 0.450 87 G N -0.910 107.896 108.800 0.011 0.000 2.192 87 G HA2 -0.001 4.013 3.960 0.090 0.000 0.193 87 G HA3 -0.001 4.013 3.960 0.090 0.000 0.193 87 G C 0.513 175.445 174.900 0.053 0.000 0.999 87 G CA -0.313 44.809 45.100 0.037 0.000 0.659 87 G HN 0.777 nan 8.290 nan 0.000 0.503 88 G N -1.597 107.220 108.800 0.028 0.000 2.662 88 G HA2 0.197 4.211 3.960 0.090 0.000 0.686 88 G HA3 0.197 4.211 3.960 0.090 0.000 0.686 88 G C 0.452 175.422 174.900 0.118 0.000 1.271 88 G CA -0.007 45.127 45.100 0.055 0.000 0.816 88 G HN 1.516 nan 8.290 nan 0.000 0.608 89 L N 0.330 121.615 121.223 0.103 0.000 2.083 89 L HA 0.069 4.463 4.340 0.090 0.000 0.209 89 L C 2.516 179.484 176.870 0.162 0.000 1.083 89 L CA 3.109 58.020 54.840 0.118 0.000 0.752 89 L CB -0.915 41.147 42.059 0.004 0.000 0.899 89 L HN 0.754 nan 8.230 nan 0.000 0.433 90 H N -1.694 117.479 119.070 0.171 0.000 2.319 90 H HA -0.138 4.472 4.556 0.089 0.000 0.299 90 H C 2.543 177.969 175.328 0.164 0.000 1.092 90 H CA 1.979 58.139 56.048 0.187 0.000 1.302 90 H CB -0.419 29.424 29.762 0.135 0.000 1.373 90 H HN 0.429 nan 8.280 nan 0.000 0.497 91 S N -0.369 115.496 115.700 0.275 0.000 2.383 91 S HA -0.173 4.352 4.470 0.090 0.000 0.227 91 S C 2.044 176.770 174.600 0.210 0.000 1.026 91 S CA 0.898 59.214 58.200 0.192 0.000 0.981 91 S CB -0.485 62.804 63.200 0.148 0.000 0.818 91 S HN 0.366 nan 8.310 nan 0.000 0.472 92 F N 3.187 123.179 119.950 0.070 0.000 2.069 92 F HA -0.069 4.517 4.527 0.098 0.000 0.298 92 F C 2.114 177.945 175.800 0.051 0.000 1.113 92 F CA 2.220 60.249 58.000 0.047 0.000 1.214 92 F CB -0.465 38.555 39.000 0.033 0.000 0.978 92 F HN 0.407 nan 8.300 nan 0.000 0.474 93 M N -1.553 118.096 119.600 0.082 0.000 2.441 93 M HA 0.433 4.967 4.480 0.090 0.000 0.244 93 M C 1.286 177.615 176.300 0.050 0.000 1.122 93 M CA 0.869 56.145 55.300 -0.041 0.000 1.041 93 M CB 0.062 32.678 32.600 0.027 0.000 1.438 93 M HN 0.188 nan 8.290 nan 0.000 0.484 94 G N 1.611 110.477 108.800 0.110 0.000 2.198 94 G HA2 -0.245 3.769 3.960 0.090 0.000 0.257 94 G HA3 -0.245 3.769 3.960 0.090 0.000 0.257 94 G C -0.752 174.270 174.900 0.204 0.000 1.042 94 G CA 0.223 45.397 45.100 0.122 0.000 0.791 94 G HN 0.772 nan 8.290 nan 0.000 0.502 95 W N 1.686 123.019 121.300 0.056 0.000 2.411 95 W HA 0.516 5.220 4.660 0.072 0.000 0.317 95 W C 0.068 176.696 176.519 0.182 0.000 1.030 95 W CA -0.175 57.214 57.345 0.073 0.000 1.239 95 W CB 1.302 30.777 29.460 0.024 0.000 1.304 95 W HN 0.276 nan 8.180 nan 0.000 0.437 96 D N 3.746 123.964 120.400 -0.305 0.000 2.363 96 D HA 0.099 4.793 4.640 0.090 0.000 0.214 96 D C 0.349 176.499 176.300 -0.251 0.000 1.093 96 D CA 0.041 53.951 54.000 -0.150 0.000 0.837 96 D CB 0.327 41.037 40.800 -0.150 0.000 0.948 96 D HN 0.219 nan 8.370 nan 0.000 0.507 97 R N 0.234 120.378 120.500 -0.594 0.000 2.541 97 R HA 0.484 4.878 4.340 0.090 0.000 0.254 97 R C -2.429 174.040 176.300 0.280 0.000 1.130 97 R CA -1.968 53.949 56.100 -0.305 0.000 1.152 97 R CB 0.210 30.121 30.300 -0.648 0.000 1.222 97 R HN -0.040 nan 8.270 nan 0.000 0.579 98 P HA -0.001 nan 4.420 nan 0.000 0.267 98 P C -0.824 176.768 177.300 0.486 0.000 1.200 98 P CA 0.768 64.094 63.100 0.377 0.000 0.772 98 P CB 0.417 32.245 31.700 0.213 0.000 0.855 99 I N 2.617 123.390 120.570 0.338 0.000 2.466 99 I HA 0.332 4.557 4.170 0.090 0.000 0.289 99 I C -0.240 175.881 176.117 0.005 0.000 1.026 99 I CA -0.876 60.473 61.300 0.081 0.000 1.078 99 I CB 1.769 39.713 38.000 -0.094 0.000 1.249 99 I HN 0.168 nan 8.210 nan 0.000 0.429 100 L N 6.736 127.899 121.223 -0.099 0.000 2.275 100 L HA 0.545 4.939 4.340 0.090 0.000 0.288 100 L C 0.005 176.812 176.870 -0.106 0.000 1.046 100 L CA -0.021 54.725 54.840 -0.156 0.000 0.805 100 L CB 1.207 43.087 42.059 -0.297 0.000 1.193 100 L HN 0.692 nan 8.230 nan 0.000 0.426 101 T N 0.027 114.547 114.554 -0.057 0.000 2.794 101 T HA 0.426 4.830 4.350 0.090 0.000 0.280 101 T C -0.452 174.259 174.700 0.018 0.000 0.987 101 T CA -1.037 61.058 62.100 -0.009 0.000 0.993 101 T CB 1.182 70.068 68.868 0.029 0.000 0.939 101 T HN 0.614 nan 8.240 nan 0.000 0.449 102 D N 1.821 122.246 120.400 0.042 0.000 2.371 102 D HA 0.136 4.830 4.640 0.090 0.000 0.242 102 D C 1.197 177.562 176.300 0.108 0.000 1.218 102 D CA -0.616 53.426 54.000 0.070 0.000 0.945 102 D CB 0.566 41.406 40.800 0.067 0.000 1.137 102 D HN 0.497 nan 8.370 nan 0.000 0.464 103 S N -1.386 114.391 115.700 0.128 0.000 2.501 103 S HA 0.309 4.833 4.470 0.090 0.000 0.220 103 S C 1.721 176.508 174.600 0.312 0.000 0.997 103 S CA 0.251 58.581 58.200 0.216 0.000 0.919 103 S CB -0.128 63.222 63.200 0.250 0.000 0.778 103 S HN 1.193 nan 8.310 nan 0.000 0.523 104 G N 0.598 109.534 108.800 0.228 0.000 2.232 104 G HA2 -0.201 3.813 3.960 0.090 0.000 0.226 104 G HA3 -0.201 3.813 3.960 0.090 0.000 0.226 104 G C 1.066 176.044 174.900 0.130 0.000 0.996 104 G CA 0.075 45.321 45.100 0.243 0.000 0.626 104 G HN 0.875 nan 8.290 nan 0.000 0.509 105 G N 0.082 108.858 108.800 -0.040 0.000 2.476 105 G HA2 -0.176 3.839 3.960 0.090 0.000 0.218 105 G HA3 -0.176 3.839 3.960 0.090 0.000 0.218 105 G C 1.414 176.215 174.900 -0.165 0.000 1.164 105 G CA 1.977 46.822 45.100 -0.426 0.000 0.768 105 G HN 0.795 nan 8.290 nan 0.000 0.560 106 Y N 0.733 120.925 120.300 -0.181 0.000 2.243 106 Y HA 0.074 4.678 4.550 0.090 0.000 0.293 106 Y C 3.014 178.789 175.900 -0.209 0.000 1.124 106 Y CA 1.839 59.845 58.100 -0.156 0.000 1.159 106 Y CB 0.092 38.485 38.460 -0.113 0.000 1.008 106 Y HN 0.263 nan 8.280 nan 0.000 0.527 107 Q N -1.050 118.662 119.800 -0.148 0.000 2.311 107 Q HA -0.092 4.302 4.340 0.090 0.000 0.203 107 Q C 2.272 177.691 176.000 -0.967 0.000 0.954 107 Q CA 0.976 56.505 55.803 -0.457 0.000 0.885 107 Q CB 0.056 28.587 28.738 -0.345 0.000 0.963 107 Q HN 0.408 nan 8.270 nan 0.000 0.471 108 V N 0.276 119.734 119.914 -0.760 0.000 2.515 108 V HA -0.214 3.961 4.120 0.090 0.000 0.250 108 V C 1.682 177.507 176.094 -0.448 0.000 1.058 108 V CA 1.342 63.194 62.300 -0.746 0.000 1.064 108 V CB -0.028 31.558 31.823 -0.396 0.000 0.675 108 V HN 0.394 nan 8.190 nan 0.000 0.461 109 M N -0.030 119.355 119.600 -0.360 0.000 2.357 109 M HA 0.038 4.572 4.480 0.090 0.000 0.266 109 M C 2.452 178.575 176.300 -0.294 0.000 1.095 109 M CA 1.816 56.964 55.300 -0.252 0.000 1.156 109 M CB -1.158 31.311 32.600 -0.217 0.000 1.365 109 M HN 0.628 nan 8.290 nan 0.000 0.447 110 S N 0.178 115.619 115.700 -0.432 0.000 2.425 110 S HA 0.071 4.596 4.470 0.090 0.000 0.225 110 S C 1.944 176.394 174.600 -0.250 0.000 1.024 110 S CA 1.103 59.082 58.200 -0.368 0.000 0.951 110 S CB -0.788 62.100 63.200 -0.519 0.000 0.796 110 S HN 0.345 nan 8.310 nan 0.000 0.498 111 L N 0.471 121.493 121.223 -0.335 0.000 2.609 111 L HA 0.769 5.163 4.340 0.090 0.000 0.230 111 L C 1.787 178.619 176.870 -0.062 0.000 1.087 111 L CA 0.693 55.417 54.840 -0.192 0.000 0.874 111 L CB -1.822 40.085 42.059 -0.253 0.000 1.114 111 L HN 0.702 nan 8.230 nan 0.000 0.488 116 K N 3.443 123.924 120.400 0.134 0.000 2.578 116 K HA 0.745 5.119 4.320 0.090 0.000 0.250 116 K C -0.403 176.286 176.600 0.148 0.000 0.955 116 K CA -0.756 55.600 56.287 0.115 0.000 0.825 116 K CB 1.446 34.001 32.500 0.091 0.000 1.151 116 K HN 0.777 nan 8.250 nan 0.000 0.432 117 Q N 1.032 120.919 119.800 0.145 0.000 2.243 117 Q HA 0.656 5.050 4.340 0.090 0.000 0.252 117 Q C 0.193 176.306 176.000 0.189 0.000 0.909 117 Q CA -0.468 55.456 55.803 0.202 0.000 0.922 117 Q CB 1.683 30.527 28.738 0.177 0.000 1.215 117 Q HN 0.897 nan 8.270 nan 0.000 0.427 118 S N -0.028 115.833 115.700 0.268 0.000 2.705 118 S HA 0.268 4.793 4.470 0.090 0.000 0.280 118 S C 0.421 175.232 174.600 0.353 0.000 1.174 118 S CA -0.829 57.508 58.200 0.228 0.000 0.823 118 S CB 1.237 64.535 63.200 0.165 0.000 1.162 118 S HN 0.597 nan 8.310 nan 0.000 0.487 119 E N 0.946 121.306 120.200 0.267 0.000 2.153 119 E HA -0.146 4.258 4.350 0.090 0.000 0.194 119 E C 1.724 178.618 176.600 0.490 0.000 0.988 119 E CA 2.078 58.684 56.400 0.343 0.000 0.811 119 E CB -0.277 29.543 29.700 0.199 0.000 0.746 119 E HN 0.786 nan 8.360 nan 0.000 0.466 120 E N -1.050 119.317 120.200 0.278 0.000 2.152 120 E HA 0.090 4.494 4.350 0.090 0.000 0.192 120 E C 0.924 177.534 176.600 0.016 0.000 0.983 120 E CA 1.086 57.571 56.400 0.143 0.000 0.818 120 E CB 0.191 29.931 29.700 0.067 0.000 0.758 120 E HN 0.212 nan 8.360 nan 0.000 0.467 121 G N -0.882 107.997 108.800 0.132 0.000 2.455 121 G HA2 0.262 4.276 3.960 0.090 0.000 0.223 121 G HA3 0.262 4.276 3.960 0.090 0.000 0.223 121 G C -1.343 173.661 174.900 0.173 0.000 1.226 121 G CA -0.423 44.609 45.100 -0.112 0.000 0.948 121 G HN 0.719 nan 8.290 nan 0.000 0.478 122 V N -0.638 119.357 119.914 0.135 0.000 2.588 122 V HA 0.877 5.051 4.120 0.090 0.000 0.304 122 V C -0.161 176.094 176.094 0.267 0.000 1.042 122 V CA 0.301 62.757 62.300 0.260 0.000 0.877 122 V CB 1.276 33.302 31.823 0.338 0.000 0.996 122 V HN 1.415 nan 8.190 nan 0.000 0.425 123 T N 4.986 119.677 114.554 0.227 0.000 2.875 123 T HA 0.856 5.261 4.350 0.090 0.000 0.284 123 T C -0.544 174.329 174.700 0.289 0.000 0.995 123 T CA -0.297 61.910 62.100 0.177 0.000 1.060 123 T CB 1.156 70.059 68.868 0.059 0.000 0.967 123 T HN 1.343 nan 8.240 nan 0.000 0.476 124 F N -2.441 117.540 119.950 0.051 0.000 2.711 124 F HA 0.886 5.467 4.527 0.090 0.000 0.313 124 F C -0.823 175.003 175.800 0.045 0.000 1.141 124 F CA -1.709 56.330 58.000 0.063 0.000 0.941 124 F CB 0.758 39.826 39.000 0.114 0.000 1.349 124 F HN 0.736 nan 8.300 nan 0.000 0.464 125 K N 0.447 120.968 120.400 0.201 0.000 2.345 125 K HA 0.898 5.273 4.320 0.090 0.000 0.255 125 K C -0.671 176.094 176.600 0.276 0.000 0.934 125 K CA -0.198 56.158 56.287 0.114 0.000 0.801 125 K CB 0.670 33.204 32.500 0.056 0.000 1.137 125 K HN 1.483 nan 8.250 nan 0.000 0.424 135 L N 5.032 126.293 121.223 0.063 0.000 2.259 135 L HA 0.855 5.250 4.340 0.090 0.000 0.288 135 L C -0.525 175.984 176.870 -0.603 0.000 1.051 135 L CA 0.460 55.208 54.840 -0.153 0.000 0.824 135 L CB 0.615 42.693 42.059 0.032 0.000 1.206 135 L HN 0.869 nan 8.230 nan 0.000 0.429 136 S N 4.646 119.934 115.700 -0.686 0.000 2.726 136 S HA 0.697 5.221 4.470 0.090 0.000 0.308 136 S C -2.168 171.842 174.600 -0.983 0.000 1.115 136 S CA -1.368 56.326 58.200 -0.842 0.000 0.965 136 S CB 1.196 64.139 63.200 -0.427 0.000 1.145 136 S HN 0.384 nan 8.310 nan 0.000 0.532 137 P HA -0.116 nan 4.420 nan 0.000 0.215 137 P C 0.968 178.158 177.300 -0.184 0.000 1.157 137 P CA 1.410 64.328 63.100 -0.303 0.000 0.874 137 P CB -0.035 31.610 31.700 -0.091 0.000 0.790 138 E N -0.982 119.116 120.200 -0.171 0.000 2.077 138 E HA -0.199 4.205 4.350 0.090 0.000 0.193 138 E C 2.168 178.710 176.600 -0.095 0.000 0.989 138 E CA 1.151 57.499 56.400 -0.088 0.000 0.800 138 E CB -0.532 29.125 29.700 -0.071 0.000 0.746 138 E HN 0.045 nan 8.360 nan 0.000 0.452 139 R N 0.114 120.513 120.500 -0.168 0.000 2.119 139 R HA 0.065 4.459 4.340 0.090 0.000 0.222 139 R C 2.229 178.459 176.300 -0.117 0.000 1.088 139 R CA 1.397 57.415 56.100 -0.135 0.000 0.984 139 R CB -0.632 29.570 30.300 -0.162 0.000 0.884 139 R HN 0.112 nan 8.270 nan 0.000 0.447 140 S N -0.234 115.346 115.700 -0.199 0.000 2.356 140 S HA -0.064 4.460 4.470 0.090 0.000 0.223 140 S C 1.727 176.344 174.600 0.030 0.000 1.032 140 S CA 1.207 59.357 58.200 -0.083 0.000 1.005 140 S CB -0.239 62.906 63.200 -0.092 0.000 0.867 140 S HN 0.277 nan 8.310 nan 0.000 0.449 141 I N 2.305 122.899 120.570 0.039 0.000 2.226 141 I HA -0.084 4.140 4.170 0.090 0.000 0.245 141 I C 2.520 178.699 176.117 0.103 0.000 1.100 141 I CA 1.295 62.659 61.300 0.107 0.000 1.374 141 I CB -1.349 36.724 38.000 0.122 0.000 1.057 141 I HN 0.509 nan 8.210 nan 0.000 0.413 142 E N 0.849 121.086 120.200 0.061 0.000 2.058 142 E HA -0.226 4.178 4.350 0.090 0.000 0.194 142 E C 2.422 179.078 176.600 0.095 0.000 0.997 142 E CA 1.445 57.896 56.400 0.086 0.000 0.801 142 E CB -0.110 29.609 29.700 0.032 0.000 0.746 142 E HN 0.453 nan 8.360 nan 0.000 0.450 143 I N 0.898 121.498 120.570 0.050 0.000 2.179 143 I HA -0.308 3.916 4.170 0.090 0.000 0.242 143 I C 2.691 178.848 176.117 0.066 0.000 1.088 143 I CA 1.321 62.645 61.300 0.038 0.000 1.357 143 I CB -0.312 37.703 38.000 0.026 0.000 1.051 143 I HN 0.207 nan 8.210 nan 0.000 0.409 144 Q N -0.517 119.342 119.800 0.099 0.000 2.170 144 Q HA -0.274 4.121 4.340 0.090 0.000 0.203 144 Q C 2.171 178.271 176.000 0.166 0.000 0.976 144 Q CA 1.514 57.389 55.803 0.121 0.000 0.858 144 Q CB -0.275 28.547 28.738 0.139 0.000 0.907 144 Q HN 0.521 nan 8.270 nan 0.000 0.433 145 H N 0.999 120.095 119.070 0.043 0.000 2.293 145 H HA -0.077 4.533 4.556 0.090 0.000 0.300 145 H C 1.821 177.156 175.328 0.011 0.000 1.082 145 H CA 1.519 57.577 56.048 0.016 0.000 1.308 145 H CB -0.313 29.440 29.762 -0.014 0.000 1.375 145 H HN 0.131 nan 8.280 nan 0.000 0.495 146 L N -0.276 120.929 121.223 -0.031 0.000 2.131 146 L HA -0.170 4.224 4.340 0.090 0.000 0.210 146 L C 2.550 179.378 176.870 -0.070 0.000 1.092 146 L CA 0.872 55.637 54.840 -0.124 0.000 0.759 146 L CB -0.353 41.659 42.059 -0.080 0.000 0.903 146 L HN 0.260 nan 8.230 nan 0.000 0.435 147 L N -0.438 120.780 121.223 -0.008 0.000 2.275 147 L HA -0.020 4.374 4.340 0.090 0.000 0.215 147 L C 1.498 178.405 176.870 0.061 0.000 1.119 147 L CA 0.760 55.606 54.840 0.009 0.000 0.790 147 L CB -0.736 41.337 42.059 0.022 0.000 0.919 147 L HN 0.510 nan 8.230 nan 0.000 0.443 148 G N 0.512 109.366 108.800 0.089 0.000 2.182 148 G HA2 -0.296 3.718 3.960 0.090 0.000 0.248 148 G HA3 -0.296 3.718 3.960 0.090 0.000 0.248 148 G C 0.361 175.420 174.900 0.266 0.000 1.042 148 G CA 0.409 45.608 45.100 0.164 0.000 0.775 148 G HN 0.368 nan 8.290 nan 0.000 0.501 149 S N -0.643 115.176 115.700 0.198 0.000 2.558 149 S HA 0.236 4.760 4.470 0.090 0.000 0.291 149 S C 1.377 176.110 174.600 0.222 0.000 1.306 149 S CA 0.824 59.137 58.200 0.188 0.000 1.056 149 S CB 0.477 63.751 63.200 0.123 0.000 0.836 149 S HN 0.312 nan 8.310 nan 0.000 0.504 150 D N 2.729 123.260 120.400 0.218 0.000 2.262 150 D HA 0.155 4.849 4.640 0.090 0.000 0.212 150 D C 0.208 176.578 176.300 0.116 0.000 0.964 150 D CA 0.879 54.989 54.000 0.184 0.000 0.875 150 D CB 0.213 41.134 40.800 0.203 0.000 0.996 150 D HN 0.511 nan 8.370 nan 0.000 0.497 151 I N 2.156 122.732 120.570 0.010 0.000 2.382 151 I HA 0.161 4.385 4.170 0.090 0.000 0.285 151 I C -0.533 175.498 176.117 -0.144 0.000 1.007 151 I CA -0.613 60.587 61.300 -0.166 0.000 1.142 151 I CB 2.436 40.175 38.000 -0.435 0.000 1.289 151 I HN -0.359 nan 8.210 nan 0.000 0.453 152 V N 6.792 126.661 119.914 -0.074 0.000 2.439 152 V HA 0.371 4.545 4.120 0.090 0.000 0.282 152 V C 0.425 176.486 176.094 -0.055 0.000 1.039 152 V CA -0.514 61.795 62.300 0.015 0.000 0.913 152 V CB 1.474 33.412 31.823 0.193 0.000 0.983 152 V HN 0.579 nan 8.190 nan 0.000 0.460 153 M N 3.719 123.319 119.600 0.000 0.000 2.233 153 M HA 0.506 5.041 4.480 0.090 0.000 0.355 153 M C 0.370 176.710 176.300 0.066 0.000 1.191 153 M CA -0.390 54.922 55.300 0.019 0.000 1.101 153 M CB 1.221 33.845 32.600 0.041 0.000 1.592 153 M HN 0.726 nan 8.290 nan 0.000 0.461 154 A N 3.005 125.846 122.820 0.036 0.000 2.466 154 A HA 0.226 4.600 4.320 0.090 0.000 0.238 154 A C -0.473 177.210 177.584 0.165 0.000 1.074 154 A CA -0.205 51.896 52.037 0.107 0.000 0.774 154 A CB -0.047 18.982 19.000 0.048 0.000 1.015 154 A HN 0.742 nan 8.150 nan 0.000 0.498 155 F N 2.782 122.780 119.950 0.080 0.000 2.445 155 F HA 0.377 4.958 4.527 0.090 0.000 0.359 155 F C 0.352 176.304 175.800 0.252 0.000 1.101 155 F CA 0.017 58.069 58.000 0.088 0.000 1.177 155 F CB 0.467 39.444 39.000 -0.038 0.000 1.110 155 F HN 0.764 nan 8.300 nan 0.000 0.522 156 D N 3.798 124.026 120.400 -0.287 0.000 2.714 156 D HA 0.251 4.945 4.640 0.090 0.000 0.278 156 D C -1.555 174.656 176.300 -0.148 0.000 1.102 156 D CA -0.768 53.205 54.000 -0.044 0.000 1.108 156 D CB 1.380 42.148 40.800 -0.053 0.000 1.444 156 D HN 0.585 nan 8.370 nan 0.000 0.568 157 E N -0.495 119.669 120.200 -0.059 0.000 2.182 157 E HA 0.358 4.762 4.350 0.090 0.000 0.258 157 E C -1.294 175.277 176.600 -0.049 0.000 0.879 157 E CA -0.847 55.513 56.400 -0.066 0.000 0.754 157 E CB 1.225 30.846 29.700 -0.132 0.000 1.162 157 E HN 0.515 nan 8.360 nan 0.000 0.419 158 C N 5.653 124.945 119.300 -0.012 0.000 2.345 158 C HA 0.262 4.776 4.460 0.090 0.000 0.349 158 C C 0.358 175.369 174.990 0.034 0.000 1.130 158 C CA -0.262 58.792 59.018 0.059 0.000 1.574 158 C CB -1.667 26.239 27.740 0.277 0.000 2.108 158 C HN 0.714 nan 8.230 nan 0.000 0.516 159 T N 9.395 123.963 114.554 0.024 0.000 2.750 159 T HA 0.046 4.451 4.350 0.090 0.000 0.277 159 T C -2.049 172.692 174.700 0.069 0.000 0.996 159 T CA 0.111 62.233 62.100 0.036 0.000 1.195 159 T CB -0.116 68.786 68.868 0.056 0.000 0.963 159 T HN 0.620 nan 8.240 nan 0.000 0.516 160 P HA 0.024 nan 4.420 nan 0.000 0.266 160 P C -0.971 176.407 177.300 0.130 0.000 1.186 160 P CA -0.066 63.074 63.100 0.066 0.000 0.767 160 P CB 0.277 31.987 31.700 0.018 0.000 0.820 161 Y N 4.335 124.640 120.300 0.008 0.000 2.393 161 Y HA 0.543 5.147 4.550 0.090 0.000 0.341 161 Y C -2.296 173.607 175.900 0.004 0.000 0.988 161 Y CA -2.466 55.635 58.100 0.001 0.000 1.078 161 Y CB 1.117 39.568 38.460 -0.015 0.000 1.203 161 Y HN 0.339 nan 8.280 nan 0.000 0.453 162 P HA 0.708 nan 4.420 nan 0.000 0.279 162 P C -1.778 175.417 177.300 -0.176 0.000 1.276 162 P CA -0.563 62.077 63.100 -0.767 0.000 0.801 162 P CB 1.690 32.906 31.700 -0.808 0.000 1.127 163 A N -0.415 122.405 122.820 -0.001 0.000 2.589 163 A HA 0.573 4.947 4.320 0.090 0.000 0.296 163 A C -0.176 177.525 177.584 0.195 0.000 1.062 163 A CA -0.426 51.670 52.037 0.097 0.000 0.686 163 A CB 0.708 19.790 19.000 0.136 0.000 1.282 163 A HN 0.696 nan 8.150 nan 0.000 0.404 164 T N 0.485 115.091 114.554 0.086 0.000 2.932 164 T HA 0.371 4.776 4.350 0.090 0.000 0.312 164 T C -1.523 173.137 174.700 -0.066 0.000 1.071 164 T CA -0.487 61.626 62.100 0.022 0.000 1.128 164 T CB 0.546 69.402 68.868 -0.020 0.000 0.984 164 T HN 0.251 nan 8.240 nan 0.000 0.549 165 P HA -0.068 nan 4.420 nan 0.000 0.215 165 P C 1.844 178.961 177.300 -0.305 0.000 1.157 165 P CA 1.072 63.794 63.100 -0.630 0.000 0.868 165 P CB -0.074 31.255 31.700 -0.618 0.000 0.788 166 S N -1.252 114.339 115.700 -0.181 0.000 2.382 166 S HA -0.195 4.330 4.470 0.090 0.000 0.228 166 S C 2.320 176.875 174.600 -0.076 0.000 1.027 166 S CA 1.698 59.829 58.200 -0.114 0.000 0.991 166 S CB -0.884 62.267 63.200 -0.082 0.000 0.823 166 S HN 0.177 nan 8.310 nan 0.000 0.469 167 R N 1.273 121.741 120.500 -0.054 0.000 2.070 167 R HA 0.202 4.596 4.340 0.090 0.000 0.233 167 R C 2.503 178.806 176.300 0.003 0.000 1.137 167 R CA 1.812 57.901 56.100 -0.019 0.000 0.945 167 R CB -1.638 28.664 30.300 0.003 0.000 0.845 167 R HN 0.464 nan 8.270 nan 0.000 0.430 168 A N 0.812 123.660 122.820 0.046 0.000 1.917 168 A HA 0.122 4.496 4.320 0.090 0.000 0.219 168 A C 2.802 180.413 177.584 0.046 0.000 1.182 168 A CA 2.403 54.515 52.037 0.125 0.000 0.633 168 A CB -0.881 18.341 19.000 0.370 0.000 0.819 168 A HN 1.028 nan 8.150 nan 0.000 0.448 169 A N -0.992 121.815 122.820 -0.023 0.000 1.897 169 A HA 0.024 4.398 4.320 0.090 0.000 0.215 169 A C 2.405 179.962 177.584 -0.044 0.000 1.181 169 A CA 1.845 53.861 52.037 -0.035 0.000 0.620 169 A CB -0.694 18.264 19.000 -0.070 0.000 0.821 169 A HN 0.456 nan 8.150 nan 0.000 0.443 170 S N -0.359 115.309 115.700 -0.053 0.000 2.428 170 S HA -0.098 4.426 4.470 0.090 0.000 0.230 170 S C 2.220 176.762 174.600 -0.097 0.000 1.014 170 S CA 1.168 59.327 58.200 -0.068 0.000 0.957 170 S CB -0.251 62.913 63.200 -0.060 0.000 0.784 170 S HN 0.671 nan 8.310 nan 0.000 0.499 171 S N 1.758 117.410 115.700 -0.079 0.000 2.356 171 S HA -0.096 4.428 4.470 0.090 0.000 0.223 171 S C 1.992 176.510 174.600 -0.136 0.000 1.032 171 S CA 1.201 59.334 58.200 -0.112 0.000 1.005 171 S CB -0.371 62.796 63.200 -0.056 0.000 0.867 171 S HN 0.452 nan 8.310 nan 0.000 0.449 172 M N 1.044 120.601 119.600 -0.072 0.000 2.175 172 M HA -0.073 4.461 4.480 0.090 0.000 0.264 172 M C 1.737 177.984 176.300 -0.090 0.000 1.063 172 M CA 1.818 57.081 55.300 -0.062 0.000 1.119 172 M CB -0.904 31.693 32.600 -0.005 0.000 1.377 172 M HN 0.399 nan 8.290 nan 0.000 0.415 173 E N -0.197 119.949 120.200 -0.090 0.000 2.106 173 E HA -0.220 4.185 4.350 0.090 0.000 0.192 173 E C 2.101 178.610 176.600 -0.151 0.000 0.984 173 E CA 1.333 57.682 56.400 -0.086 0.000 0.806 173 E CB -0.237 29.424 29.700 -0.065 0.000 0.750 173 E HN 0.517 nan 8.360 nan 0.000 0.458 174 R N 0.633 120.979 120.500 -0.257 0.000 2.096 174 R HA -0.112 4.282 4.340 0.090 0.000 0.235 174 R C 2.120 178.054 176.300 -0.610 0.000 1.127 174 R CA 1.712 57.517 56.100 -0.492 0.000 0.968 174 R CB -0.071 29.834 30.300 -0.659 0.000 0.861 174 R HN -0.019 nan 8.270 nan 0.000 0.440 175 S N 0.193 115.647 115.700 -0.409 0.000 2.402 175 S HA -0.070 4.455 4.470 0.090 0.000 0.229 175 S C 1.768 176.369 174.600 0.001 0.000 1.021 175 S CA 1.077 59.165 58.200 -0.186 0.000 0.974 175 S CB -0.019 63.120 63.200 -0.102 0.000 0.800 175 S HN 0.285 nan 8.310 nan 0.000 0.484 176 M N 1.309 120.891 119.600 -0.029 0.000 2.156 176 M HA 0.050 4.584 4.480 0.090 0.000 0.264 176 M C 2.023 178.388 176.300 0.107 0.000 1.067 176 M CA 1.253 56.586 55.300 0.055 0.000 1.131 176 M CB -1.179 31.444 32.600 0.037 0.000 1.368 176 M HN 0.255 nan 8.290 nan 0.000 0.416 177 R N -0.983 119.553 120.500 0.059 0.000 2.081 177 R HA -0.193 4.202 4.340 0.090 0.000 0.235 177 R C 2.080 178.570 176.300 0.318 0.000 1.131 177 R CA 1.426 57.609 56.100 0.140 0.000 0.960 177 R CB -0.355 29.993 30.300 0.080 0.000 0.856 177 R HN 0.387 nan 8.270 nan 0.000 0.436 178 W N 0.577 121.948 121.300 0.117 0.000 2.425 178 W HA 0.041 4.755 4.660 0.090 0.000 0.277 178 W C 2.368 178.989 176.519 0.170 0.000 1.231 178 W CA 0.443 57.885 57.345 0.161 0.000 1.248 178 W CB -0.825 28.757 29.460 0.204 0.000 1.117 178 W HN 0.184 nan 8.180 nan 0.000 0.568 179 A N 0.157 123.200 122.820 0.372 0.000 1.902 179 A HA -0.203 4.171 4.320 0.090 0.000 0.217 179 A C 2.151 179.964 177.584 0.381 0.000 1.181 179 A CA 1.847 54.089 52.037 0.343 0.000 0.623 179 A CB -0.700 18.458 19.000 0.263 0.000 0.818 179 A HN 0.209 nan 8.150 nan 0.000 0.443 180 K N -0.354 120.216 120.400 0.284 0.000 2.057 180 K HA -0.132 4.242 4.320 0.090 0.000 0.207 180 K C 2.289 178.988 176.600 0.165 0.000 1.049 180 K CA 1.322 57.724 56.287 0.192 0.000 0.931 180 K CB -0.189 32.397 32.500 0.143 0.000 0.714 180 K HN 0.441 nan 8.250 nan 0.000 0.440 181 R N 0.043 120.662 120.500 0.198 0.000 2.091 181 R HA -0.079 4.315 4.340 0.090 0.000 0.238 181 R C 2.509 178.894 176.300 0.141 0.000 1.136 181 R CA 1.645 57.837 56.100 0.153 0.000 0.959 181 R CB -0.198 30.200 30.300 0.165 0.000 0.856 181 R HN 0.122 nan 8.270 nan 0.000 0.437 182 S N 0.448 116.263 115.700 0.193 0.000 2.356 182 S HA -0.173 4.351 4.470 0.090 0.000 0.223 182 S C 1.800 176.513 174.600 0.188 0.000 1.032 182 S CA 1.437 59.755 58.200 0.196 0.000 1.005 182 S CB -0.216 63.134 63.200 0.249 0.000 0.867 182 S HN 0.227 nan 8.310 nan 0.000 0.449 183 R N 1.888 122.487 120.500 0.165 0.000 2.094 183 R HA -0.135 4.259 4.340 0.090 0.000 0.239 183 R C 1.497 177.849 176.300 0.086 0.000 1.137 183 R CA 2.138 58.258 56.100 0.033 0.000 0.943 183 R CB -0.821 29.399 30.300 -0.133 0.000 0.850 183 R HN 0.238 nan 8.270 nan 0.000 0.433 184 D N -0.142 120.304 120.400 0.076 0.000 2.117 184 D HA -0.077 4.617 4.640 0.090 0.000 0.198 184 D C 1.736 178.079 176.300 0.072 0.000 0.982 184 D CA 1.663 55.701 54.000 0.063 0.000 0.828 184 D CB -0.442 40.389 40.800 0.051 0.000 0.967 184 D HN 0.421 nan 8.370 nan 0.000 0.464 185 A N 0.294 123.167 122.820 0.088 0.000 1.902 185 A HA -0.157 4.217 4.320 0.090 0.000 0.217 185 A C 2.101 179.728 177.584 0.071 0.000 1.181 185 A CA 0.952 53.027 52.037 0.064 0.000 0.623 185 A CB -0.950 18.087 19.000 0.061 0.000 0.818 185 A HN 0.257 nan 8.150 nan 0.000 0.443 186 F N 1.170 121.101 119.950 -0.032 0.000 2.113 186 F HA -0.166 4.415 4.527 0.089 0.000 0.297 186 F C 1.686 177.438 175.800 -0.080 0.000 1.103 186 F CA 2.108 60.072 58.000 -0.059 0.000 1.248 186 F CB -0.175 38.812 39.000 -0.022 0.000 0.999 186 F HN 0.215 nan 8.300 nan 0.000 0.475 187 D N -0.271 120.229 120.400 0.167 0.000 2.218 187 D HA -0.140 4.554 4.640 0.090 0.000 0.204 187 D C 2.379 178.647 176.300 -0.053 0.000 0.976 187 D CA 1.507 55.539 54.000 0.053 0.000 0.853 187 D CB -0.402 40.448 40.800 0.083 0.000 0.939 187 D HN 0.415 nan 8.370 nan 0.000 0.481 188 S N -0.663 115.005 115.700 -0.053 0.000 2.558 188 S HA 0.089 4.614 4.470 0.090 0.000 0.217 188 S C 0.908 175.446 174.600 -0.104 0.000 0.975 188 S CA -0.280 57.885 58.200 -0.058 0.000 0.912 188 S CB 0.162 63.346 63.200 -0.027 0.000 0.776 188 S HN 0.024 nan 8.310 nan 0.000 0.526 189 R N 1.301 121.683 120.500 -0.196 0.000 2.280 189 R HA 0.484 4.878 4.340 0.090 0.000 0.326 189 R C 1.351 177.465 176.300 -0.309 0.000 1.080 189 R CA 0.216 56.149 56.100 -0.279 0.000 1.002 189 R CB 0.751 30.758 30.300 -0.488 0.000 1.136 189 R HN 0.321 nan 8.270 nan 0.000 0.509 190 K N 2.173 122.470 120.400 -0.172 0.000 2.032 190 K HA -0.223 4.151 4.320 0.090 0.000 0.209 190 K C 1.701 178.214 176.600 -0.145 0.000 1.048 190 K CA 1.727 57.934 56.287 -0.134 0.000 0.927 190 K CB -0.398 32.061 32.500 -0.068 0.000 0.712 190 K HN 0.588 nan 8.250 nan 0.000 0.441 191 E N 0.239 120.375 120.200 -0.107 0.000 2.058 191 E HA -0.257 4.147 4.350 0.090 0.000 0.194 191 E C 2.313 178.842 176.600 -0.119 0.000 0.997 191 E CA 1.844 58.217 56.400 -0.044 0.000 0.801 191 E CB -0.092 29.661 29.700 0.087 0.000 0.746 191 E HN 0.733 nan 8.360 nan 0.000 0.450 192 Q N -0.254 119.350 119.800 -0.327 0.000 2.050 192 Q HA -0.137 4.257 4.340 0.090 0.000 0.202 192 Q C 2.102 177.714 176.000 -0.646 0.000 0.980 192 Q CA 1.656 57.143 55.803 -0.527 0.000 0.840 192 Q CB -0.176 27.982 28.738 -0.965 0.000 0.898 192 Q HN 0.303 nan 8.270 nan 0.000 0.424 193 A N 0.623 123.027 122.820 -0.694 0.000 1.972 193 A HA -0.221 4.154 4.320 0.090 0.000 0.219 193 A C 1.668 179.188 177.584 -0.106 0.000 1.169 193 A CA 1.731 53.499 52.037 -0.449 0.000 0.635 193 A CB -0.405 18.445 19.000 -0.252 0.000 0.810 193 A HN 0.507 nan 8.150 nan 0.000 0.446 194 E N -0.785 119.357 120.200 -0.097 0.000 2.299 194 E HA -0.026 4.378 4.350 0.090 0.000 0.193 194 E C 1.023 177.641 176.600 0.029 0.000 0.998 194 E CA 0.638 57.032 56.400 -0.010 0.000 0.851 194 E CB 0.046 29.736 29.700 -0.016 0.000 0.795 194 E HN 0.554 nan 8.360 nan 0.000 0.492 195 N N -0.507 118.205 118.700 0.019 0.000 2.273 195 N HA 0.146 4.940 4.740 0.090 0.000 0.192 195 N C -0.056 175.520 175.510 0.111 0.000 1.132 195 N CA 0.210 53.294 53.050 0.057 0.000 0.887 195 N CB 1.250 39.758 38.487 0.036 0.000 1.048 195 N HN -0.023 nan 8.380 nan 0.000 0.490 196 A N 0.300 123.206 122.820 0.143 0.000 2.389 196 A HA 0.894 5.269 4.320 0.090 0.000 0.293 196 A C -0.946 176.868 177.584 0.382 0.000 1.186 196 A CA -0.460 51.727 52.037 0.250 0.000 0.828 196 A CB 1.315 20.475 19.000 0.267 0.000 1.369 196 A HN 0.083 nan 8.150 nan 0.000 0.446 197 A N -0.851 122.124 122.820 0.258 0.000 2.384 197 A HA 0.750 5.124 4.320 0.090 0.000 0.312 197 A C -1.459 175.972 177.584 -0.256 0.000 1.113 197 A CA -0.447 51.567 52.037 -0.038 0.000 0.779 197 A CB 1.315 20.071 19.000 -0.407 0.000 1.307 197 A HN 1.523 nan 8.150 nan 0.000 0.436 198 L N 1.134 122.061 121.223 -0.493 0.000 2.356 198 L HA 0.785 5.179 4.340 0.090 0.000 0.277 198 L C -1.859 175.030 176.870 0.031 0.000 0.996 198 L CA -0.353 54.178 54.840 -0.515 0.000 0.822 198 L CB 1.097 42.542 42.059 -1.022 0.000 1.256 198 L HN 0.522 nan 8.230 nan 0.000 0.413 199 F N 2.451 122.238 119.950 -0.272 0.000 2.480 199 F HA 0.768 5.350 4.527 0.092 0.000 0.329 199 F C 0.926 176.383 175.800 -0.571 0.000 1.091 199 F CA -1.147 56.647 58.000 -0.343 0.000 0.972 199 F CB 1.967 40.832 39.000 -0.226 0.000 1.150 199 F HN 0.554 nan 8.300 nan 0.000 0.467 200 G N 2.590 110.785 108.800 -1.009 0.000 2.412 200 G HA2 0.635 4.649 3.960 0.090 0.000 0.318 200 G HA3 0.635 4.649 3.960 0.090 0.000 0.318 200 G C -1.004 173.577 174.900 -0.531 0.000 1.146 200 G CA -0.571 43.701 45.100 -1.381 0.000 0.882 200 G HN 0.521 nan 8.290 nan 0.000 0.501 201 I N 1.006 121.367 120.570 -0.349 0.000 2.382 201 I HA 0.212 4.436 4.170 0.090 0.000 0.286 201 I C 0.239 176.285 176.117 -0.118 0.000 1.002 201 I CA -0.515 60.678 61.300 -0.178 0.000 1.135 201 I CB 1.918 39.835 38.000 -0.138 0.000 1.288 201 I HN 0.411 nan 8.210 nan 0.000 0.448 202 Q N 6.360 126.112 119.800 -0.080 0.000 2.304 202 Q HA 0.202 4.596 4.340 0.090 0.000 0.260 202 Q C -0.781 175.189 176.000 -0.050 0.000 0.965 202 Q CA -0.142 55.633 55.803 -0.045 0.000 0.898 202 Q CB 1.055 29.773 28.738 -0.033 0.000 1.196 202 Q HN 0.544 nan 8.270 nan 0.000 0.402 203 Q N 1.462 121.247 119.800 -0.026 0.000 2.990 203 Q HA 0.552 4.947 4.340 0.090 0.000 0.255 203 Q C 0.257 176.274 176.000 0.029 0.000 1.040 203 Q CA -0.038 55.759 55.803 -0.010 0.000 0.897 203 Q CB 1.473 30.200 28.738 -0.018 0.000 1.429 203 Q HN 0.957 nan 8.270 nan 0.000 0.497 204 G N -0.450 108.388 108.800 0.063 0.000 2.205 204 G HA2 -0.207 3.807 3.960 0.090 0.000 0.180 204 G HA3 -0.207 3.807 3.960 0.090 0.000 0.180 204 G C 0.385 175.390 174.900 0.175 0.000 1.004 204 G CA 0.880 46.061 45.100 0.135 0.000 0.670 204 G HN 0.727 nan 8.290 nan 0.000 0.496 205 S N -2.210 113.538 115.700 0.081 0.000 4.059 205 S HA -0.362 4.162 4.470 0.090 0.000 0.624 205 S C 1.736 176.234 174.600 -0.170 0.000 2.019 205 S CA 3.494 61.681 58.200 -0.023 0.000 4.197 205 S CB -1.227 62.007 63.200 0.056 0.000 0.215 205 S HN 1.979 nan 8.310 nan 0.000 0.609 206 V N -0.686 118.927 119.914 -0.502 0.000 3.319 206 V HA 0.555 4.729 4.120 0.090 0.000 0.317 206 V C 0.123 176.056 176.094 -0.268 0.000 1.411 206 V CA 0.105 62.179 62.300 -0.376 0.000 1.112 206 V CB -0.272 31.322 31.823 -0.382 0.000 1.031 206 V HN 0.455 nan 8.190 nan 0.000 0.448 207 F N 1.507 121.565 119.950 0.180 0.000 2.371 207 F HA 0.509 5.090 4.527 0.091 0.000 0.363 207 F C 1.587 177.388 175.800 0.001 0.000 1.122 207 F CA -1.071 56.971 58.000 0.070 0.000 1.129 207 F CB 1.261 40.281 39.000 0.034 0.000 1.173 207 F HN 0.110 nan 8.300 nan 0.000 0.489 208 E N 2.905 123.000 120.200 -0.174 0.000 2.085 208 E HA -0.281 4.123 4.350 0.090 0.000 0.194 208 E C 1.921 178.425 176.600 -0.161 0.000 0.994 208 E CA 1.911 57.962 56.400 -0.581 0.000 0.801 208 E CB 0.095 29.115 29.700 -1.134 0.000 0.743 208 E HN 0.724 nan 8.360 nan 0.000 0.453 209 N N 1.002 119.656 118.700 -0.076 0.000 2.188 209 N HA -0.201 4.594 4.740 0.090 0.000 0.184 209 N C 2.030 177.549 175.510 0.014 0.000 1.018 209 N CA 1.322 54.351 53.050 -0.036 0.000 0.858 209 N CB -0.709 37.754 38.487 -0.041 0.000 0.989 209 N HN 0.308 nan 8.380 nan 0.000 0.426 210 L N -0.149 121.117 121.223 0.073 0.000 2.109 210 L HA 0.055 4.450 4.340 0.090 0.000 0.207 210 L C 2.793 179.717 176.870 0.088 0.000 1.086 210 L CA 0.686 55.578 54.840 0.087 0.000 0.760 210 L CB -0.308 41.846 42.059 0.158 0.000 0.910 210 L HN 0.095 nan 8.230 nan 0.000 0.437 211 R N 0.137 120.711 120.500 0.124 0.000 2.081 211 R HA -0.199 4.195 4.340 0.090 0.000 0.235 211 R C 2.202 178.543 176.300 0.068 0.000 1.131 211 R CA 1.365 57.536 56.100 0.118 0.000 0.960 211 R CB -0.394 30.045 30.300 0.231 0.000 0.856 211 R HN 0.325 nan 8.270 nan 0.000 0.436 212 Q N 1.169 120.998 119.800 0.049 0.000 2.050 212 Q HA -0.197 4.197 4.340 0.090 0.000 0.202 212 Q C 2.060 178.067 176.000 0.011 0.000 0.980 212 Q CA 2.018 57.832 55.803 0.018 0.000 0.840 212 Q CB -0.246 28.490 28.738 -0.005 0.000 0.898 212 Q HN 0.363 nan 8.270 nan 0.000 0.424 213 Q N -0.777 119.031 119.800 0.014 0.000 2.077 213 Q HA -0.210 4.184 4.340 0.090 0.000 0.206 213 Q C 2.102 178.115 176.000 0.021 0.000 0.989 213 Q CA 2.092 57.903 55.803 0.013 0.000 0.853 213 Q CB -0.522 28.223 28.738 0.011 0.000 0.907 213 Q HN 0.420 nan 8.270 nan 0.000 0.418 214 S N -0.855 114.860 115.700 0.026 0.000 2.371 214 S HA -0.072 4.452 4.470 0.090 0.000 0.224 214 S C 1.933 176.551 174.600 0.031 0.000 1.029 214 S CA 1.025 59.241 58.200 0.028 0.000 0.978 214 S CB -0.405 62.809 63.200 0.023 0.000 0.833 214 S HN 0.560 nan 8.310 nan 0.000 0.466 215 A N 1.492 124.318 122.820 0.010 0.000 1.933 215 A HA -0.119 4.255 4.320 0.090 0.000 0.218 215 A C 1.876 179.456 177.584 -0.007 0.000 1.175 215 A CA 1.959 53.982 52.037 -0.022 0.000 0.628 215 A CB -0.948 18.011 19.000 -0.067 0.000 0.814 215 A HN 0.553 nan 8.150 nan 0.000 0.444 216 D N 0.142 120.545 120.400 0.006 0.000 2.092 216 D HA -0.095 4.599 4.640 0.090 0.000 0.193 216 D C 2.277 178.609 176.300 0.053 0.000 0.994 216 D CA 1.731 55.741 54.000 0.017 0.000 0.828 216 D CB -0.521 40.287 40.800 0.013 0.000 0.963 216 D HN 0.418 nan 8.370 nan 0.000 0.450 217 A N 0.544 123.404 122.820 0.066 0.000 1.902 217 A HA -0.123 4.251 4.320 0.090 0.000 0.217 217 A C 2.439 180.129 177.584 0.178 0.000 1.181 217 A CA 0.977 53.074 52.037 0.099 0.000 0.623 217 A CB -0.765 18.286 19.000 0.085 0.000 0.818 217 A HN 0.209 nan 8.150 nan 0.000 0.443 218 L N -0.886 120.462 121.223 0.210 0.000 2.027 218 L HA -0.173 4.221 4.340 0.090 0.000 0.206 218 L C 3.091 180.264 176.870 0.504 0.000 1.074 218 L CA 1.097 56.187 54.840 0.416 0.000 0.745 218 L CB -0.583 41.698 42.059 0.371 0.000 0.898 218 L HN 0.427 nan 8.230 nan 0.000 0.433 219 A N 0.135 123.113 122.820 0.263 0.000 1.972 219 A HA -0.211 4.163 4.320 0.090 0.000 0.219 219 A C 2.382 180.059 177.584 0.154 0.000 1.169 219 A CA 1.928 54.073 52.037 0.180 0.000 0.635 219 A CB -0.740 18.249 19.000 -0.018 0.000 0.810 219 A HN 0.465 nan 8.150 nan 0.000 0.446 220 E N 0.091 120.365 120.200 0.124 0.000 2.047 220 E HA -0.108 4.296 4.350 0.090 0.000 0.191 220 E C 1.813 178.451 176.600 0.063 0.000 0.987 220 E CA 1.409 57.856 56.400 0.078 0.000 0.799 220 E CB -0.770 28.970 29.700 0.066 0.000 0.752 220 E HN 0.682 nan 8.360 nan 0.000 0.449 221 I N -0.369 120.257 120.570 0.093 0.000 2.226 221 I HA 0.185 4.410 4.170 0.090 0.000 0.245 221 I C 1.503 177.508 176.117 -0.187 0.000 1.100 221 I CA 1.332 62.616 61.300 -0.026 0.000 1.374 221 I CB -0.183 37.832 38.000 0.025 0.000 1.057 221 I HN 0.527 nan 8.210 nan 0.000 0.413 222 G N 0.449 109.188 108.800 -0.102 0.000 3.307 222 G HA2 -0.168 3.846 3.960 0.090 0.000 0.686 222 G HA3 -0.168 3.846 3.960 0.090 0.000 0.686 222 G C -0.755 173.810 174.900 -0.558 0.000 0.983 222 G CA -0.848 44.187 45.100 -0.108 0.000 0.804 222 G HN 0.069 nan 8.290 nan 0.000 0.531 223 F N 0.481 120.351 119.950 -0.132 0.000 2.629 223 F HA 0.526 5.107 4.527 0.090 0.000 0.316 223 F C 1.057 176.605 175.800 -0.420 0.000 1.081 223 F CA -0.971 56.781 58.000 -0.414 0.000 0.954 223 F CB 1.565 40.108 39.000 -0.762 0.000 1.337 223 F HN 0.349 nan 8.300 nan 0.000 0.474 224 D N 0.421 120.653 120.400 -0.281 0.000 2.277 224 D HA 0.171 4.865 4.640 0.090 0.000 0.208 224 D C 0.612 176.563 176.300 -0.583 0.000 0.962 224 D CA 0.935 54.695 54.000 -0.400 0.000 0.865 224 D CB 0.366 40.689 40.800 -0.795 0.000 0.939 224 D HN 0.600 nan 8.370 nan 0.000 0.510 225 G N -0.780 107.359 108.800 -1.101 0.000 2.677 225 G HA2 0.466 4.480 3.960 0.090 0.000 0.291 225 G HA3 0.466 4.480 3.960 0.090 0.000 0.291 225 G C -2.053 171.937 174.900 -1.517 0.000 1.435 225 G CA -0.727 43.304 45.100 -1.782 0.000 0.826 225 G HN -0.071 nan 8.290 nan 0.000 0.491 226 Y N 0.139 120.059 120.300 -0.633 0.000 2.338 226 Y HA 0.666 5.271 4.550 0.090 0.000 0.333 226 Y C 0.558 176.376 175.900 -0.137 0.000 0.968 226 Y CA -0.582 57.346 58.100 -0.286 0.000 1.123 226 Y CB 2.286 40.657 38.460 -0.149 0.000 1.165 226 Y HN 0.820 nan 8.280 nan 0.000 0.452 227 A N 2.306 125.125 122.820 -0.002 0.000 2.295 227 A HA 0.749 5.123 4.320 0.090 0.000 0.318 227 A C -0.894 176.621 177.584 -0.116 0.000 1.134 227 A CA -0.704 51.292 52.037 -0.067 0.000 0.827 227 A CB 0.713 19.598 19.000 -0.192 0.000 1.136 227 A HN 0.528 nan 8.150 nan 0.000 0.493 228 V N 2.564 122.376 119.914 -0.170 0.000 2.320 228 V HA 0.493 4.667 4.120 0.090 0.000 0.265 228 V C 1.016 176.989 176.094 -0.201 0.000 1.048 228 V CA 0.138 62.344 62.300 -0.157 0.000 0.865 228 V CB 0.361 32.100 31.823 -0.140 0.000 1.043 228 V HN 1.069 nan 8.190 nan 0.000 0.474 229 G N 2.563 111.266 108.800 -0.163 0.000 2.502 229 G HA2 0.539 4.554 3.960 0.090 0.000 0.305 229 G HA3 0.539 4.554 3.960 0.090 0.000 0.305 229 G C 0.896 175.730 174.900 -0.111 0.000 1.190 229 G CA -0.006 44.999 45.100 -0.159 0.000 0.933 229 G HN 1.505 nan 8.290 nan 0.000 0.503 230 G N -1.433 107.316 108.800 -0.084 0.000 2.153 230 G HA2 -0.193 3.821 3.960 0.090 0.000 0.252 230 G HA3 -0.193 3.821 3.960 0.090 0.000 0.252 230 G C 0.795 175.649 174.900 -0.077 0.000 0.994 230 G CA 0.684 45.764 45.100 -0.034 0.000 0.698 230 G HN 0.684 nan 8.290 nan 0.000 0.521 231 L N 0.020 121.175 121.223 -0.115 0.000 2.537 231 L HA 0.638 5.033 4.340 0.090 0.000 0.224 231 L C 2.296 179.092 176.870 -0.124 0.000 1.065 231 L CA 1.418 56.171 54.840 -0.145 0.000 0.860 231 L CB -0.173 41.806 42.059 -0.133 0.000 1.086 231 L HN 0.589 nan 8.230 nan 0.000 0.482 232 A N -0.218 122.541 122.820 -0.102 0.000 3.051 232 A HA 0.415 4.789 4.320 0.090 0.000 0.257 232 A C 0.099 177.680 177.584 -0.005 0.000 1.785 232 A CA 0.377 52.373 52.037 -0.069 0.000 1.420 232 A CB -0.693 18.244 19.000 -0.106 0.000 1.063 232 A HN 0.078 nan 8.150 nan 0.000 0.630 233 V N 0.391 120.301 119.914 -0.006 0.000 3.317 233 V HA 0.505 4.679 4.120 0.090 0.000 0.363 233 V C 0.645 176.803 176.094 0.106 0.000 1.205 233 V CA 0.678 63.030 62.300 0.086 0.000 1.598 233 V CB -0.126 31.783 31.823 0.143 0.000 0.958 233 V HN 1.680 nan 8.190 nan 0.000 0.534 234 G N 3.231 112.084 108.800 0.089 0.000 2.279 234 G HA2 -0.218 3.796 3.960 0.090 0.000 0.223 234 G HA3 -0.218 3.796 3.960 0.090 0.000 0.223 234 G C 0.050 175.013 174.900 0.105 0.000 1.015 234 G CA 0.194 45.423 45.100 0.216 0.000 0.621 234 G HN 0.793 nan 8.290 nan 0.000 0.506 235 Q N 1.569 121.213 119.800 -0.260 0.000 2.297 235 Q HA 0.538 4.933 4.340 0.090 0.000 0.267 235 Q C 1.064 176.968 176.000 -0.160 0.000 1.006 235 Q CA 0.568 56.163 55.803 -0.347 0.000 0.896 235 Q CB 1.052 29.438 28.738 -0.586 0.000 1.186 235 Q HN 0.646 nan 8.270 nan 0.000 0.392 236 G N 1.174 109.915 108.800 -0.098 0.000 2.712 236 G HA2 -0.118 3.896 3.960 0.090 0.000 0.258 236 G HA3 -0.118 3.896 3.960 0.090 0.000 0.258 236 G C 0.371 175.158 174.900 -0.188 0.000 1.241 236 G CA -0.340 44.698 45.100 -0.105 0.000 0.923 236 G HN 0.818 nan 8.290 nan 0.000 0.548 237 Q N -1.074 118.579 119.800 -0.245 0.000 2.084 237 Q HA -0.140 4.254 4.340 0.090 0.000 0.202 237 Q C 1.850 177.518 176.000 -0.553 0.000 0.978 237 Q CA 1.774 57.285 55.803 -0.487 0.000 0.844 237 Q CB -0.103 28.320 28.738 -0.525 0.000 0.898 237 Q HN 0.625 nan 8.270 nan 0.000 0.426 238 D N 0.328 120.559 120.400 -0.281 0.000 2.106 238 D HA -0.215 4.479 4.640 0.090 0.000 0.191 238 D C 1.723 177.978 176.300 -0.075 0.000 0.997 238 D CA 1.685 55.611 54.000 -0.124 0.000 0.834 238 D CB -0.163 40.605 40.800 -0.054 0.000 0.956 238 D HN 0.338 nan 8.370 nan 0.000 0.448 239 E N 0.002 120.139 120.200 -0.105 0.000 2.107 239 E HA -0.098 4.306 4.350 0.090 0.000 0.191 239 E C 2.070 178.587 176.600 -0.138 0.000 0.982 239 E CA 0.618 56.959 56.400 -0.098 0.000 0.809 239 E CB -0.219 29.412 29.700 -0.115 0.000 0.756 239 E HN 0.242 nan 8.360 nan 0.000 0.459 240 M N -0.637 118.855 119.600 -0.181 0.000 2.117 240 M HA -0.139 4.396 4.480 0.090 0.000 0.262 240 M C 1.139 177.453 176.300 0.023 0.000 1.065 240 M CA 1.406 56.624 55.300 -0.137 0.000 1.114 240 M CB -0.101 32.408 32.600 -0.150 0.000 1.361 240 M HN 0.137 nan 8.290 nan 0.000 0.408 241 F N 0.849 120.747 119.950 -0.086 0.000 2.186 241 F HA -0.104 4.477 4.527 0.089 0.000 0.299 241 F C 3.143 178.867 175.800 -0.127 0.000 1.090 241 F CA 1.742 59.698 58.000 -0.073 0.000 1.307 241 F CB -1.843 37.145 39.000 -0.020 0.000 1.019 241 F HN 0.264 nan 8.300 nan 0.000 0.489 242 R N 0.370 120.909 120.500 0.066 0.000 2.081 242 R HA -0.078 4.316 4.340 0.090 0.000 0.235 242 R C 2.312 178.409 176.300 -0.338 0.000 1.131 242 R CA 1.773 57.853 56.100 -0.035 0.000 0.960 242 R CB -1.741 28.578 30.300 0.031 0.000 0.856 242 R HN 0.231 nan 8.270 nan 0.000 0.436 243 V N 1.156 120.814 119.914 -0.427 0.000 2.358 243 V HA -0.167 4.007 4.120 0.090 0.000 0.246 243 V C 2.632 178.225 176.094 -0.835 0.000 1.047 243 V CA 1.744 63.507 62.300 -0.895 0.000 1.035 243 V CB -0.479 31.075 31.823 -0.450 0.000 0.658 243 V HN 0.503 nan 8.190 nan 0.000 0.452 244 L N -0.178 120.822 121.223 -0.371 0.000 2.083 244 L HA -0.199 4.195 4.340 0.090 0.000 0.209 244 L C 2.411 179.140 176.870 -0.234 0.000 1.083 244 L CA 1.484 56.184 54.840 -0.233 0.000 0.752 244 L CB -0.805 41.218 42.059 -0.061 0.000 0.899 244 L HN 0.356 nan 8.230 nan 0.000 0.433 245 D N 0.368 120.633 120.400 -0.226 0.000 2.133 245 D HA -0.214 4.480 4.640 0.090 0.000 0.195 245 D C 1.884 178.156 176.300 -0.046 0.000 0.997 245 D CA 1.753 55.691 54.000 -0.104 0.000 0.840 245 D CB -0.152 40.629 40.800 -0.032 0.000 0.947 245 D HN 0.499 nan 8.370 nan 0.000 0.452 246 F N -0.627 119.319 119.950 -0.006 0.000 2.656 246 F HA 0.357 4.939 4.527 0.091 0.000 0.291 246 F C 2.140 177.918 175.800 -0.036 0.000 1.122 246 F CA -0.114 57.877 58.000 -0.015 0.000 1.427 246 F CB -0.453 38.544 39.000 -0.005 0.000 1.125 246 F HN -0.253 nan 8.300 nan 0.000 0.583 247 S N 1.025 116.683 115.700 -0.070 0.000 2.388 247 S HA -0.038 4.486 4.470 0.090 0.000 0.223 247 S C 2.152 176.699 174.600 -0.088 0.000 1.034 247 S CA 1.101 59.299 58.200 -0.003 0.000 0.963 247 S CB -0.448 62.677 63.200 -0.125 0.000 0.827 247 S HN 0.244 nan 8.310 nan 0.000 0.481 248 V N 2.800 122.628 119.914 -0.144 0.000 2.407 248 V HA -0.072 4.102 4.120 0.090 0.000 0.248 248 V C -0.969 174.995 176.094 -0.217 0.000 1.055 248 V CA 1.492 63.655 62.300 -0.228 0.000 1.049 248 V CB -1.929 29.783 31.823 -0.185 0.000 0.662 248 V HN 0.315 nan 8.190 nan 0.000 0.455 249 P HA -0.119 nan 4.420 nan 0.000 0.223 249 P C 1.630 178.888 177.300 -0.070 0.000 1.144 249 P CA 1.382 64.448 63.100 -0.056 0.000 0.783 249 P CB -0.155 31.546 31.700 0.002 0.000 0.771 250 M N -2.095 117.457 119.600 -0.081 0.000 2.506 250 M HA 0.027 4.562 4.480 0.090 0.000 0.260 250 M C 0.652 176.853 176.300 -0.166 0.000 1.104 250 M CA 0.603 55.854 55.300 -0.082 0.000 1.112 250 M CB -0.366 32.210 32.600 -0.040 0.000 1.401 250 M HN -0.119 nan 8.290 nan 0.000 0.473 251 L N 1.013 122.079 121.223 -0.262 0.000 2.418 251 L HA 0.279 4.674 4.340 0.090 0.000 0.265 251 L C -2.061 174.647 176.870 -0.271 0.000 1.143 251 L CA -2.200 52.405 54.840 -0.392 0.000 0.809 251 L CB -0.388 41.359 42.059 -0.520 0.000 1.124 251 L HN -0.240 nan 8.230 nan 0.000 0.456 252 P HA -0.073 nan 4.420 nan 0.000 0.258 252 P C 0.000 177.389 177.300 0.148 0.000 1.172 252 P CA 0.365 63.404 63.100 -0.101 0.000 0.762 252 P CB 0.473 32.091 31.700 -0.137 0.000 0.764 253 D N 2.881 123.365 120.400 0.140 0.000 2.144 253 D HA -0.200 4.494 4.640 0.090 0.000 0.199 253 D C 1.083 177.494 176.300 0.185 0.000 0.984 253 D CA 1.312 55.435 54.000 0.204 0.000 0.834 253 D CB -0.015 40.855 40.800 0.116 0.000 0.955 253 D HN 0.400 nan 8.370 nan 0.000 0.465 254 D N -0.831 119.670 120.400 0.169 0.000 2.328 254 D HA -0.029 4.665 4.640 0.090 0.000 0.226 254 D C -0.080 176.429 176.300 0.347 0.000 1.066 254 D CA 0.224 54.339 54.000 0.193 0.000 0.861 254 D CB 0.032 40.910 40.800 0.129 0.000 0.912 254 D HN 0.061 nan 8.370 nan 0.000 0.521 255 K N 0.725 121.301 120.400 0.293 0.000 2.328 255 K HA 0.467 4.841 4.320 0.090 0.000 0.246 255 K C -2.834 173.645 176.600 -0.201 0.000 0.955 255 K CA -2.261 54.150 56.287 0.206 0.000 0.817 255 K CB 1.675 34.355 32.500 0.300 0.000 1.208 255 K HN -0.112 nan 8.250 nan 0.000 0.432 256 P HA 0.066 nan 4.420 nan 0.000 0.269 256 P C -0.879 176.244 177.300 -0.295 0.000 1.215 256 P CA 0.157 62.784 63.100 -0.789 0.000 0.780 256 P CB 0.351 31.648 31.700 -0.672 0.000 0.898 257 H N 1.542 120.526 119.070 -0.144 0.000 2.587 257 H HA 0.311 4.921 4.556 0.090 0.000 0.325 257 H C -0.969 174.349 175.328 -0.018 0.000 1.012 257 H CA -0.375 55.638 56.048 -0.058 0.000 1.213 257 H CB 0.424 30.157 29.762 -0.049 0.000 1.431 257 H HN 0.386 nan 8.280 nan 0.000 0.492 258 Y N 4.137 124.432 120.300 -0.008 0.000 2.328 258 Y HA 0.360 4.965 4.550 0.091 0.000 0.336 258 Y C -1.509 174.315 175.900 -0.127 0.000 0.960 258 Y CA -1.685 56.370 58.100 -0.075 0.000 1.134 258 Y CB 0.928 39.457 38.460 0.115 0.000 1.166 258 Y HN 0.485 nan 8.280 nan 0.000 0.464 259 L N 7.738 128.848 121.223 -0.187 0.000 2.259 259 L HA 0.476 4.870 4.340 0.090 0.000 0.288 259 L C -0.788 175.918 176.870 -0.274 0.000 1.051 259 L CA -0.357 54.329 54.840 -0.257 0.000 0.824 259 L CB 0.337 42.299 42.059 -0.161 0.000 1.206 259 L HN 0.720 nan 8.230 nan 0.000 0.429 260 M N 4.982 124.282 119.600 -0.500 0.000 2.200 260 M HA 0.320 4.854 4.480 0.090 0.000 0.355 260 M C 1.303 177.483 176.300 -0.201 0.000 1.283 260 M CA 0.518 55.522 55.300 -0.492 0.000 1.124 260 M CB 0.725 32.971 32.600 -0.591 0.000 1.625 260 M HN 0.869 nan 8.290 nan 0.000 0.463 261 G N 2.383 111.135 108.800 -0.079 0.000 2.147 261 G HA2 -0.166 3.848 3.960 0.090 0.000 0.244 261 G HA3 -0.166 3.848 3.960 0.090 0.000 0.244 261 G C -0.383 174.552 174.900 0.060 0.000 1.005 261 G CA -0.202 44.865 45.100 -0.054 0.000 0.713 261 G HN 0.583 nan 8.290 nan 0.000 0.515 262 V N -0.536 119.492 119.914 0.190 0.000 2.604 262 V HA 0.975 5.150 4.120 0.090 0.000 0.305 262 V C 0.739 177.076 176.094 0.406 0.000 1.043 262 V CA 0.463 62.924 62.300 0.268 0.000 0.888 262 V CB 1.605 33.606 31.823 0.297 0.000 0.995 262 V HN 1.383 nan 8.190 nan 0.000 0.429 263 G N 3.752 112.717 108.800 0.276 0.000 2.485 263 G HA2 0.282 4.296 3.960 0.090 0.000 0.182 263 G HA3 0.282 4.296 3.960 0.090 0.000 0.182 263 G C -1.203 173.767 174.900 0.117 0.000 1.172 263 G CA -0.867 44.337 45.100 0.173 0.000 0.996 263 G HN 0.541 nan 8.290 nan 0.000 0.496 264 K N 1.140 121.587 120.400 0.077 0.000 2.276 264 K HA 0.299 4.674 4.320 0.090 0.000 0.259 264 K C -1.701 174.781 176.600 -0.198 0.000 1.001 264 K CA -1.087 55.218 56.287 0.031 0.000 0.927 264 K CB 1.263 33.869 32.500 0.178 0.000 0.969 264 K HN 0.007 nan 8.250 nan 0.000 0.490 265 P HA -0.263 nan 4.420 nan 0.000 0.216 265 P C 0.486 177.552 177.300 -0.391 0.000 1.157 265 P CA 1.567 64.293 63.100 -0.623 0.000 0.880 265 P CB 0.077 31.429 31.700 -0.581 0.000 0.791 266 D N -1.348 118.995 120.400 -0.095 0.000 2.224 266 D HA -0.152 4.542 4.640 0.090 0.000 0.205 266 D C 1.211 177.651 176.300 0.234 0.000 0.965 266 D CA 0.949 55.062 54.000 0.188 0.000 0.852 266 D CB -1.021 40.033 40.800 0.424 0.000 0.947 266 D HN 0.152 nan 8.370 nan 0.000 0.494 267 D N 1.054 121.545 120.400 0.152 0.000 2.117 267 D HA -0.074 4.620 4.640 0.090 0.000 0.197 267 D C 2.383 178.793 176.300 0.183 0.000 0.987 267 D CA 0.520 54.657 54.000 0.228 0.000 0.829 267 D CB -0.098 40.775 40.800 0.122 0.000 0.961 267 D HN 0.343 nan 8.370 nan 0.000 0.460 268 I N 0.530 121.012 120.570 -0.147 0.000 2.202 268 I HA -0.216 4.008 4.170 0.090 0.000 0.242 268 I C 2.468 178.470 176.117 -0.191 0.000 1.091 268 I CA 0.553 61.554 61.300 -0.498 0.000 1.368 268 I CB -0.116 37.355 38.000 -0.882 0.000 1.058 268 I HN -0.128 nan 8.210 nan 0.000 0.410 269 V N 1.004 120.833 119.914 -0.141 0.000 2.287 269 V HA -0.244 3.931 4.120 0.090 0.000 0.248 269 V C 2.559 178.740 176.094 0.145 0.000 1.053 269 V CA 2.287 64.608 62.300 0.036 0.000 1.027 269 V CB -1.439 30.313 31.823 -0.120 0.000 0.646 269 V HN 0.586 nan 8.190 nan 0.000 0.447 270 G N -0.740 108.114 108.800 0.090 0.000 2.422 270 G HA2 -0.135 3.879 3.960 0.090 0.000 0.218 270 G HA3 -0.135 3.879 3.960 0.090 0.000 0.218 270 G C 1.724 176.442 174.900 -0.302 0.000 1.140 270 G CA 0.934 45.871 45.100 -0.271 0.000 0.775 270 G HN 0.610 nan 8.290 nan 0.000 0.545 271 A N 0.161 123.032 122.820 0.084 0.000 1.930 271 A HA 0.141 4.515 4.320 0.090 0.000 0.217 271 A C 2.543 180.278 177.584 0.253 0.000 1.175 271 A CA 1.560 53.733 52.037 0.226 0.000 0.627 271 A CB -0.459 18.870 19.000 0.548 0.000 0.815 271 A HN 0.225 nan 8.150 nan 0.000 0.443 272 V N 0.366 120.481 119.914 0.335 0.000 2.427 272 V HA -0.245 3.930 4.120 0.090 0.000 0.248 272 V C 2.227 178.469 176.094 0.247 0.000 1.051 272 V CA 2.118 64.574 62.300 0.260 0.000 1.048 272 V CB -0.828 31.080 31.823 0.142 0.000 0.666 272 V HN 0.646 nan 8.190 nan 0.000 0.456 273 E N -0.113 120.287 120.200 0.333 0.000 2.333 273 E HA -0.172 4.232 4.350 0.090 0.000 0.198 273 E C 1.982 178.641 176.600 0.097 0.000 1.007 273 E CA 0.733 57.299 56.400 0.277 0.000 0.845 273 E CB -0.093 29.646 29.700 0.065 0.000 0.766 273 E HN 0.544 nan 8.360 nan 0.000 0.507 274 R N -0.855 119.670 120.500 0.041 0.000 2.393 274 R HA 0.140 4.534 4.340 0.090 0.000 0.244 274 R C 0.726 177.056 176.300 0.051 0.000 0.920 274 R CA 0.440 56.542 56.100 0.004 0.000 1.076 274 R CB 1.107 31.363 30.300 -0.073 0.000 1.119 274 R HN 0.192 nan 8.270 nan 0.000 0.524 275 G N 0.814 109.677 108.800 0.105 0.000 2.148 275 G HA2 -0.171 3.843 3.960 0.090 0.000 0.203 275 G HA3 -0.171 3.843 3.960 0.090 0.000 0.203 275 G C -0.016 175.010 174.900 0.209 0.000 0.993 275 G CA -0.667 44.530 45.100 0.163 0.000 0.661 275 G HN 0.071 nan 8.290 nan 0.000 0.518 276 I N 1.427 122.070 120.570 0.121 0.000 2.472 276 I HA 0.340 4.564 4.170 0.090 0.000 0.290 276 I C 0.434 176.538 176.117 -0.021 0.000 1.016 276 I CA -0.265 61.044 61.300 0.015 0.000 1.348 276 I CB 1.272 39.181 38.000 -0.151 0.000 1.417 276 I HN 0.021 nan 8.210 nan 0.000 0.521 277 D N 4.769 125.116 120.400 -0.089 0.000 2.454 277 D HA 0.221 4.915 4.640 0.090 0.000 0.219 277 D C 0.281 176.537 176.300 -0.073 0.000 1.081 277 D CA 0.734 54.704 54.000 -0.050 0.000 0.867 277 D CB 1.100 41.834 40.800 -0.109 0.000 1.054 277 D HN 0.402 nan 8.370 nan 0.000 0.500 278 M N 0.066 119.528 119.600 -0.231 0.000 2.484 278 M HA 0.442 4.976 4.480 0.090 0.000 0.289 278 M C -1.576 174.524 176.300 -0.332 0.000 1.206 278 M CA -0.577 54.625 55.300 -0.164 0.000 0.892 278 M CB 3.076 35.583 32.600 -0.155 0.000 1.712 278 M HN -0.309 nan 8.290 nan 0.000 0.462 279 F N 0.336 120.371 119.950 0.142 0.000 2.601 279 F HA 0.548 5.128 4.527 0.090 0.000 0.309 279 F C -0.791 174.981 175.800 -0.046 0.000 1.089 279 F CA -0.805 57.325 58.000 0.217 0.000 0.940 279 F CB 1.913 41.118 39.000 0.342 0.000 1.273 279 F HN 0.535 nan 8.300 nan 0.000 0.450 280 D N 0.637 121.171 120.400 0.224 0.000 2.732 280 D HA 0.572 5.266 4.640 0.090 0.000 0.229 280 D C -1.665 174.689 176.300 0.089 0.000 1.152 280 D CA -0.414 53.498 54.000 -0.146 0.000 0.854 280 D CB 2.182 42.938 40.800 -0.075 0.000 1.590 280 D HN 0.671 nan 8.370 nan 0.000 0.468 281 C N 1.677 121.023 119.300 0.076 0.000 3.181 281 C HA 0.315 4.829 4.460 0.090 0.000 0.362 281 C C 1.101 176.170 174.990 0.131 0.000 1.125 281 C CA -0.384 58.756 59.018 0.203 0.000 1.265 281 C CB 0.990 28.960 27.740 0.384 0.000 1.632 281 C HN 0.602 nan 8.230 nan 0.000 0.525 282 V N 3.388 123.338 119.914 0.059 0.000 3.306 282 V HA 0.063 4.237 4.120 0.090 0.000 0.264 282 V C 1.692 177.801 176.094 0.024 0.000 1.149 282 V CA 1.384 63.698 62.300 0.024 0.000 1.143 282 V CB -0.851 30.979 31.823 0.010 0.000 0.767 282 V HN 0.831 nan 8.190 nan 0.000 0.476 283 L N 2.087 123.335 121.223 0.041 0.000 1.990 283 L HA -0.035 4.360 4.340 0.090 0.000 0.213 283 L C 0.319 177.220 176.870 0.050 0.000 1.072 283 L CA 2.966 57.850 54.840 0.073 0.000 0.755 283 L CB -1.618 40.514 42.059 0.122 0.000 0.889 283 L HN 0.311 nan 8.230 nan 0.000 0.432 284 P HA -0.134 nan 4.420 nan 0.000 0.217 284 P C 1.473 178.755 177.300 -0.031 0.000 1.150 284 P CA 2.394 65.381 63.100 -0.187 0.000 0.832 284 P CB -0.394 30.839 31.700 -0.777 0.000 0.787 285 T N -1.705 112.821 114.554 -0.048 0.000 2.735 285 T HA -0.064 4.340 4.350 0.090 0.000 0.256 285 T C 2.142 176.838 174.700 -0.007 0.000 1.042 285 T CA 0.668 62.754 62.100 -0.023 0.000 1.147 285 T CB -0.845 68.003 68.868 -0.034 0.000 0.865 285 T HN 0.005 nan 8.240 nan 0.000 0.421 286 R N 1.431 121.931 120.500 0.001 0.000 2.083 286 R HA -0.124 4.270 4.340 0.090 0.000 0.237 286 R C 2.826 179.133 176.300 0.010 0.000 1.137 286 R CA 2.001 58.104 56.100 0.005 0.000 0.951 286 R CB -0.523 29.787 30.300 0.016 0.000 0.851 286 R HN 0.594 nan 8.270 nan 0.000 0.434 287 S N -0.941 114.783 115.700 0.040 0.000 2.453 287 S HA -0.007 4.517 4.470 0.090 0.000 0.231 287 S C 2.030 176.612 174.600 -0.030 0.000 1.005 287 S CA 0.782 58.990 58.200 0.013 0.000 0.949 287 S CB -0.160 63.069 63.200 0.048 0.000 0.774 287 S HN 0.506 nan 8.310 nan 0.000 0.510 288 G N 2.245 111.044 108.800 -0.000 0.000 2.433 288 G HA2 -0.169 3.845 3.960 0.090 0.000 0.216 288 G HA3 -0.169 3.845 3.960 0.090 0.000 0.216 288 G C 1.712 176.584 174.900 -0.047 0.000 1.186 288 G CA 0.519 45.607 45.100 -0.020 0.000 0.779 288 G HN 0.548 nan 8.290 nan 0.000 0.543 289 R N 0.251 120.727 120.500 -0.040 0.000 2.159 289 R HA -0.049 4.345 4.340 0.090 0.000 0.237 289 R C 1.596 177.859 176.300 -0.062 0.000 1.131 289 R CA 1.196 57.264 56.100 -0.053 0.000 0.982 289 R CB -0.198 30.077 30.300 -0.042 0.000 0.868 289 R HN 0.249 nan 8.270 nan 0.000 0.453 290 N N -0.737 117.930 118.700 -0.055 0.000 2.398 290 N HA 0.038 4.833 4.740 0.090 0.000 0.188 290 N C 0.863 176.327 175.510 -0.077 0.000 1.122 290 N CA 0.935 53.950 53.050 -0.058 0.000 0.866 290 N CB 1.120 39.582 38.487 -0.041 0.000 0.970 290 N HN 0.439 nan 8.380 nan 0.000 0.462 291 G N 0.271 109.013 108.800 -0.096 0.000 2.179 291 G HA2 -0.271 3.743 3.960 0.090 0.000 0.220 291 G HA3 -0.271 3.743 3.960 0.090 0.000 0.220 291 G C 0.012 174.823 174.900 -0.148 0.000 0.990 291 G CA -0.086 44.945 45.100 -0.115 0.000 0.646 291 G HN 0.470 nan 8.290 nan 0.000 0.517 292 Q N 0.743 120.441 119.800 -0.170 0.000 2.296 292 Q HA 0.687 5.081 4.340 0.090 0.000 0.257 292 Q C 0.088 175.875 176.000 -0.355 0.000 0.942 292 Q CA 0.172 55.807 55.803 -0.280 0.000 0.939 292 Q CB 0.919 29.467 28.738 -0.317 0.000 1.198 292 Q HN 0.873 nan 8.270 nan 0.000 0.429 293 A N 4.502 127.094 122.820 -0.381 0.000 2.304 293 A HA 0.580 4.954 4.320 0.090 0.000 0.323 293 A C -1.218 176.071 177.584 -0.491 0.000 1.195 293 A CA -0.608 51.249 52.037 -0.299 0.000 0.826 293 A CB 0.445 19.303 19.000 -0.237 0.000 1.184 293 A HN 0.753 nan 8.150 nan 0.000 0.496 294 F N 1.697 121.522 119.950 -0.207 0.000 2.412 294 F HA 0.513 5.092 4.527 0.087 0.000 0.348 294 F C 1.331 176.586 175.800 -0.909 0.000 1.102 294 F CA 0.592 58.255 58.000 -0.563 0.000 1.196 294 F CB 1.763 40.345 39.000 -0.697 0.000 1.144 294 F HN 0.651 nan 8.300 nan 0.000 0.541 295 T N -1.657 112.513 114.554 -0.640 0.000 2.883 295 T HA 0.261 4.665 4.350 0.090 0.000 0.296 295 T C 0.212 174.835 174.700 -0.127 0.000 1.117 295 T CA -0.918 60.925 62.100 -0.428 0.000 1.006 295 T CB 0.804 69.595 68.868 -0.128 0.000 1.191 295 T HN 0.597 nan 8.240 nan 0.000 0.508 296 W N 0.343 121.903 121.300 0.432 0.000 2.421 296 W HA 0.099 4.812 4.660 0.089 0.000 0.270 296 W C 1.197 177.847 176.519 0.220 0.000 1.233 296 W CA 0.231 57.870 57.345 0.490 0.000 1.226 296 W CB 0.055 29.736 29.460 0.370 0.000 1.121 296 W HN 0.663 nan 8.180 nan 0.000 0.579 297 D N -0.115 120.429 120.400 0.239 0.000 2.370 297 D HA 0.261 4.955 4.640 0.090 0.000 0.230 297 D C 1.050 177.218 176.300 -0.220 0.000 1.143 297 D CA 0.912 54.925 54.000 0.020 0.000 0.834 297 D CB -0.047 40.781 40.800 0.047 0.000 0.944 297 D HN 0.125 nan 8.370 nan 0.000 0.504 298 G N 2.396 110.898 108.800 -0.497 0.000 2.663 298 G HA2 -0.161 3.853 3.960 0.090 0.000 0.686 298 G HA3 -0.161 3.853 3.960 0.090 0.000 0.686 298 G C -2.996 171.621 174.900 -0.470 0.000 1.288 298 G CA -1.176 43.363 45.100 -0.935 0.000 0.836 298 G HN -0.111 nan 8.290 nan 0.000 0.584 299 P HA 0.526 nan 4.420 nan 0.000 0.272 299 P C 0.206 177.355 177.300 -0.251 0.000 1.223 299 P CA -0.015 62.875 63.100 -0.349 0.000 0.784 299 P CB 0.754 32.246 31.700 -0.345 0.000 0.923 300 I N -1.595 118.814 120.570 -0.268 0.000 2.785 300 I HA 0.550 4.774 4.170 0.090 0.000 0.302 300 I C -0.564 175.451 176.117 -0.171 0.000 1.069 300 I CA -1.113 60.100 61.300 -0.145 0.000 1.045 300 I CB 2.438 40.338 38.000 -0.167 0.000 1.236 300 I HN 0.086 nan 8.210 nan 0.000 0.429 301 N N 3.586 122.280 118.700 -0.009 0.000 2.501 301 N HA 0.242 5.036 4.740 0.090 0.000 0.245 301 N C 0.285 175.834 175.510 0.066 0.000 0.974 301 N CA -0.365 52.674 53.050 -0.018 0.000 0.941 301 N CB 1.657 40.154 38.487 0.018 0.000 1.122 301 N HN 0.840 nan 8.380 nan 0.000 0.507 302 I N 4.316 124.811 120.570 -0.125 0.000 2.756 302 I HA -0.067 4.157 4.170 0.090 0.000 0.262 302 I C 1.934 178.164 176.117 0.188 0.000 1.225 302 I CA 0.957 62.162 61.300 -0.158 0.000 1.472 302 I CB 0.042 37.900 38.000 -0.238 0.000 1.094 302 I HN 0.476 nan 8.210 nan 0.000 0.454 303 R N 0.253 120.811 120.500 0.097 0.000 2.235 303 R HA -0.048 4.346 4.340 0.090 0.000 0.213 303 R C 0.988 177.436 176.300 0.246 0.000 1.059 303 R CA 0.039 56.162 56.100 0.039 0.000 0.997 303 R CB -0.635 29.640 30.300 -0.042 0.000 0.884 303 R HN 0.376 nan 8.270 nan 0.000 0.462 304 N N 1.246 120.156 118.700 0.351 0.000 2.412 304 N HA -0.079 4.715 4.740 0.090 0.000 0.254 304 N C 0.777 176.438 175.510 0.251 0.000 1.232 304 N CA 0.353 53.547 53.050 0.240 0.000 0.880 304 N CB 1.107 39.677 38.487 0.139 0.000 1.076 304 N HN 0.114 nan 8.380 nan 0.000 0.458 305 A N 4.945 127.844 122.820 0.132 0.000 2.076 305 A HA -0.217 4.158 4.320 0.090 0.000 0.220 305 A C 2.022 179.500 177.584 -0.176 0.000 1.160 305 A CA 1.593 53.660 52.037 0.050 0.000 0.653 305 A CB -0.397 18.616 19.000 0.022 0.000 0.801 305 A HN 0.919 nan 8.150 nan 0.000 0.455 306 R N -1.824 118.492 120.500 -0.306 0.000 2.241 306 R HA -0.072 4.323 4.340 0.090 0.000 0.224 306 R C 0.674 176.633 176.300 -0.569 0.000 1.101 306 R CA 1.625 57.435 56.100 -0.483 0.000 0.995 306 R CB -0.536 29.371 30.300 -0.655 0.000 0.870 306 R HN 0.407 nan 8.270 nan 0.000 0.463 307 F N 1.574 121.397 119.950 -0.211 0.000 2.727 307 F HA 0.185 4.768 4.527 0.094 0.000 0.302 307 F C 2.165 177.700 175.800 -0.441 0.000 1.097 307 F CA 0.183 58.039 58.000 -0.239 0.000 1.330 307 F CB 0.412 39.350 39.000 -0.105 0.000 1.084 307 F HN 0.112 nan 8.300 nan 0.000 0.578 308 S N -0.029 115.353 115.700 -0.530 0.000 2.400 308 S HA -0.182 4.343 4.470 0.090 0.000 0.232 308 S C 1.159 175.675 174.600 -0.140 0.000 1.025 308 S CA 1.458 59.349 58.200 -0.514 0.000 0.993 308 S CB -0.330 62.705 63.200 -0.275 0.000 0.808 308 S HN 0.555 nan 8.310 nan 0.000 0.478 309 E N 0.520 120.668 120.200 -0.086 0.000 2.876 309 E HA 0.194 4.598 4.350 0.090 0.000 0.208 309 E C -1.121 175.487 176.600 0.013 0.000 0.981 309 E CA -0.268 56.121 56.400 -0.017 0.000 1.174 309 E CB 0.394 30.080 29.700 -0.022 0.000 1.047 309 E HN 0.318 nan 8.360 nan 0.000 0.477 310 D N 1.360 121.784 120.400 0.040 0.000 2.336 310 D HA 0.089 4.783 4.640 0.090 0.000 0.249 310 D C 0.694 177.048 176.300 0.091 0.000 1.213 310 D CA -0.052 53.999 54.000 0.085 0.000 0.870 310 D CB 0.952 41.866 40.800 0.189 0.000 1.076 310 D HN 0.171 nan 8.370 nan 0.000 0.483 311 L N 3.110 124.373 121.223 0.067 0.000 2.591 311 L HA 0.078 4.472 4.340 0.090 0.000 0.228 311 L C 1.178 178.086 176.870 0.063 0.000 1.133 311 L CA 0.195 55.075 54.840 0.065 0.000 0.880 311 L CB -0.012 42.073 42.059 0.043 0.000 1.033 311 L HN 0.138 nan 8.230 nan 0.000 0.450 312 K N 1.281 121.720 120.400 0.065 0.000 2.219 312 K HA 0.180 4.554 4.320 0.090 0.000 0.258 312 K C -2.148 174.481 176.600 0.049 0.000 1.008 312 K CA -1.716 54.605 56.287 0.055 0.000 0.928 312 K CB 0.088 32.624 32.500 0.060 0.000 0.983 312 K HN -0.164 nan 8.250 nan 0.000 0.484 313 P HA -0.040 nan 4.420 nan 0.000 0.271 313 P C 0.728 177.999 177.300 -0.047 0.000 1.244 313 P CA -0.017 63.096 63.100 0.022 0.000 0.793 313 P CB 0.528 32.251 31.700 0.038 0.000 0.984 314 L N -1.004 120.130 121.223 -0.148 0.000 2.021 314 L HA -0.129 4.265 4.340 0.090 0.000 0.215 314 L C 1.445 178.186 176.870 -0.214 0.000 1.074 314 L CA 1.745 56.399 54.840 -0.310 0.000 0.760 314 L CB -0.485 41.179 42.059 -0.659 0.000 0.889 314 L HN 0.489 nan 8.230 nan 0.000 0.433 315 D N -1.384 118.949 120.400 -0.112 0.000 2.757 315 D HA 0.088 4.782 4.640 0.090 0.000 0.249 315 D C 0.777 177.157 176.300 0.133 0.000 1.168 315 D CA 0.251 54.299 54.000 0.081 0.000 0.870 315 D CB 1.944 42.891 40.800 0.244 0.000 1.411 315 D HN -0.010 nan 8.370 nan 0.000 0.525 316 S N 2.301 118.086 115.700 0.141 0.000 2.440 316 S HA -0.193 4.331 4.470 0.090 0.000 0.238 316 S C 1.362 176.031 174.600 0.116 0.000 1.010 316 S CA 1.751 60.020 58.200 0.115 0.000 0.972 316 S CB -0.064 63.200 63.200 0.107 0.000 0.774 316 S HN 0.597 nan 8.310 nan 0.000 0.501 317 E N -0.489 119.822 120.200 0.184 0.000 2.465 317 E HA 0.267 4.671 4.350 0.090 0.000 0.209 317 E C 0.792 177.370 176.600 -0.037 0.000 0.951 317 E CA 0.290 56.742 56.400 0.085 0.000 0.997 317 E CB -0.790 28.980 29.700 0.117 0.000 1.025 317 E HN 0.700 nan 8.360 nan 0.000 0.500 318 C N 1.231 120.642 119.300 0.185 0.000 2.611 318 C HA 0.235 4.750 4.460 0.090 0.000 0.416 318 C C 1.238 176.234 174.990 0.010 0.000 1.366 318 C CA 0.457 59.594 59.018 0.198 0.000 1.761 318 C CB -1.129 26.862 27.740 0.418 0.000 2.619 318 C HN 0.691 nan 8.230 nan 0.000 0.606 319 H N 2.995 122.212 119.070 0.245 0.000 2.539 319 H HA 0.152 4.761 4.556 0.087 0.000 0.269 319 H C 1.325 176.753 175.328 0.167 0.000 0.980 319 H CA 0.202 56.353 56.048 0.172 0.000 1.152 319 H CB -0.100 29.742 29.762 0.135 0.000 1.407 319 H HN 0.881 nan 8.280 nan 0.000 0.564 320 C N -0.347 119.127 119.300 0.290 0.000 2.649 320 C HA 0.567 5.081 4.460 0.090 0.000 0.377 320 C C 2.272 177.401 174.990 0.231 0.000 1.321 320 C CA -0.078 59.095 59.018 0.259 0.000 2.368 320 C CB 0.483 28.395 27.740 0.285 0.000 2.597 320 C HN 0.482 nan 8.230 nan 0.000 0.678 321 A N 1.463 124.413 122.820 0.218 0.000 2.019 321 A HA 0.007 4.381 4.320 0.090 0.000 0.219 321 A C 2.046 179.789 177.584 0.265 0.000 1.164 321 A CA 2.015 54.172 52.037 0.201 0.000 0.644 321 A CB -0.841 18.285 19.000 0.209 0.000 0.805 321 A HN 1.006 nan 8.150 nan 0.000 0.449 322 V N -1.189 118.938 119.914 0.355 0.000 2.358 322 V HA -0.283 3.891 4.120 0.090 0.000 0.246 322 V C 2.490 178.799 176.094 0.359 0.000 1.047 322 V CA 2.012 64.611 62.300 0.499 0.000 1.035 322 V CB -1.005 31.044 31.823 0.376 0.000 0.658 322 V HN 0.684 nan 8.190 nan 0.000 0.452 323 C N -0.371 119.073 119.300 0.240 0.000 2.448 323 C HA -0.045 4.470 4.460 0.090 0.000 0.280 323 C C 2.716 177.765 174.990 0.099 0.000 1.398 323 C CA 0.205 59.313 59.018 0.151 0.000 1.774 323 C CB -0.908 26.926 27.740 0.158 0.000 1.888 323 C HN 0.543 nan 8.230 nan 0.000 0.519 324 Q N 1.022 120.874 119.800 0.086 0.000 2.230 324 Q HA -0.018 4.376 4.340 0.090 0.000 0.202 324 Q C 1.880 177.818 176.000 -0.104 0.000 0.963 324 Q CA 1.202 57.012 55.803 0.011 0.000 0.866 324 Q CB -0.141 28.613 28.738 0.026 0.000 0.931 324 Q HN 0.699 nan 8.270 nan 0.000 0.452 325 K N -2.295 117.980 120.400 -0.208 0.000 2.424 325 K HA 0.122 4.496 4.320 0.090 0.000 0.198 325 K C 0.308 176.571 176.600 -0.562 0.000 1.190 325 K CA 0.079 56.023 56.287 -0.573 0.000 0.935 325 K CB 1.071 32.802 32.500 -1.283 0.000 1.087 325 K HN 0.004 nan 8.250 nan 0.000 0.524 326 W N 2.584 123.919 121.300 0.058 0.000 2.761 326 W HA 0.313 4.999 4.660 0.044 0.000 0.340 326 W C 0.243 176.811 176.519 0.081 0.000 1.072 326 W CA -0.954 56.443 57.345 0.088 0.000 1.215 326 W CB 1.705 31.285 29.460 0.199 0.000 1.420 326 W HN -0.096 nan 8.180 nan 0.000 0.519 327 S N 1.095 117.001 115.700 0.343 0.000 2.652 327 S HA 0.386 4.910 4.470 0.090 0.000 0.270 327 S C 1.040 175.763 174.600 0.204 0.000 1.243 327 S CA -0.489 57.840 58.200 0.214 0.000 0.999 327 S CB 2.012 65.316 63.200 0.172 0.000 0.973 327 S HN 0.499 nan 8.310 nan 0.000 0.544 328 R N 0.836 121.398 120.500 0.104 0.000 2.103 328 R HA -0.131 4.263 4.340 0.090 0.000 0.242 328 R C 2.598 178.979 176.300 0.136 0.000 1.142 328 R CA 1.658 57.782 56.100 0.040 0.000 0.960 328 R CB -1.108 29.194 30.300 0.002 0.000 0.858 328 R HN 0.843 nan 8.270 nan 0.000 0.439 329 A N 0.280 123.201 122.820 0.169 0.000 1.908 329 A HA -0.243 4.131 4.320 0.090 0.000 0.218 329 A C 2.016 179.772 177.584 0.286 0.000 1.181 329 A CA 1.473 53.622 52.037 0.186 0.000 0.627 329 A CB -0.761 18.323 19.000 0.139 0.000 0.818 329 A HN 0.479 nan 8.150 nan 0.000 0.445 330 Y N 0.401 120.799 120.300 0.163 0.000 2.200 330 Y HA -0.110 4.489 4.550 0.082 0.000 0.290 330 Y C 1.962 177.958 175.900 0.161 0.000 1.137 330 Y CA 1.514 59.723 58.100 0.182 0.000 1.163 330 Y CB -0.290 38.293 38.460 0.205 0.000 0.988 330 Y HN 0.267 nan 8.280 nan 0.000 0.518 331 I N -0.650 119.929 120.570 0.015 0.000 2.315 331 I HA -0.285 3.939 4.170 0.090 0.000 0.248 331 I C 2.401 178.456 176.117 -0.104 0.000 1.117 331 I CA 1.611 62.813 61.300 -0.164 0.000 1.404 331 I CB -0.616 37.332 38.000 -0.086 0.000 1.071 331 I HN 0.284 nan 8.210 nan 0.000 0.419 332 H N 0.600 119.633 119.070 -0.062 0.000 2.289 332 H HA -0.333 4.277 4.556 0.089 0.000 0.296 332 H C 2.396 177.708 175.328 -0.027 0.000 1.091 332 H CA 2.579 58.618 56.048 -0.014 0.000 1.274 332 H CB -0.230 29.587 29.762 0.091 0.000 1.364 332 H HN 0.422 nan 8.280 nan 0.000 0.490 333 H N -0.155 118.918 119.070 0.006 0.000 2.319 333 H HA -0.102 4.507 4.556 0.088 0.000 0.299 333 H C 2.274 177.478 175.328 -0.207 0.000 1.092 333 H CA 2.110 58.112 56.048 -0.077 0.000 1.302 333 H CB -0.443 29.328 29.762 0.016 0.000 1.373 333 H HN 0.417 nan 8.280 nan 0.000 0.497 334 L N -0.149 120.775 121.223 -0.498 0.000 2.012 334 L HA -0.175 4.219 4.340 0.090 0.000 0.210 334 L C 2.381 179.009 176.870 -0.403 0.000 1.073 334 L CA 0.968 55.476 54.840 -0.552 0.000 0.748 334 L CB -0.368 41.376 42.059 -0.526 0.000 0.891 334 L HN 0.388 nan 8.230 nan 0.000 0.431 335 I N -0.248 120.127 120.570 -0.325 0.000 2.353 335 I HA -0.209 4.015 4.170 0.090 0.000 0.248 335 I C 2.629 178.593 176.117 -0.255 0.000 1.119 335 I CA 1.367 62.515 61.300 -0.252 0.000 1.417 335 I CB -0.893 36.982 38.000 -0.208 0.000 1.078 335 I HN 0.290 nan 8.210 nan 0.000 0.421 336 R N 0.777 121.086 120.500 -0.318 0.000 2.152 336 R HA -0.054 4.341 4.340 0.090 0.000 0.232 336 R C 2.045 178.206 176.300 -0.231 0.000 1.117 336 R CA 1.253 57.190 56.100 -0.272 0.000 0.981 336 R CB -0.214 29.887 30.300 -0.331 0.000 0.870 336 R HN 0.302 nan 8.270 nan 0.000 0.451 337 A N 0.159 122.794 122.820 -0.309 0.000 2.238 337 A HA 0.196 4.571 4.320 0.090 0.000 0.208 337 A C 1.368 178.834 177.584 -0.196 0.000 1.177 337 A CA 0.653 52.529 52.037 -0.268 0.000 0.804 337 A CB -0.099 18.662 19.000 -0.398 0.000 0.823 337 A HN 0.413 nan 8.150 nan 0.000 0.482 338 G N -0.265 108.422 108.800 -0.189 0.000 2.198 338 G HA2 -0.222 3.792 3.960 0.090 0.000 0.260 338 G HA3 -0.222 3.792 3.960 0.090 0.000 0.260 338 G C -0.195 174.620 174.900 -0.141 0.000 1.025 338 G CA 0.315 45.330 45.100 -0.142 0.000 0.769 338 G HN 0.500 nan 8.290 nan 0.000 0.507 339 E N -0.604 119.485 120.200 -0.184 0.000 2.338 339 E HA 0.332 4.736 4.350 0.090 0.000 0.272 339 E C 1.818 178.331 176.600 -0.146 0.000 1.029 339 E CA -0.568 55.733 56.400 -0.164 0.000 0.872 339 E CB 0.742 30.317 29.700 -0.209 0.000 1.015 339 E HN 0.306 nan 8.360 nan 0.000 0.417 340 I N 2.336 122.842 120.570 -0.107 0.000 2.264 340 I HA -0.309 3.915 4.170 0.090 0.000 0.248 340 I C 2.227 178.275 176.117 -0.114 0.000 1.111 340 I CA 0.744 61.987 61.300 -0.094 0.000 1.382 340 I CB -0.179 37.782 38.000 -0.065 0.000 1.060 340 I HN 0.419 nan 8.210 nan 0.000 0.418 341 L N 1.167 122.311 121.223 -0.132 0.000 2.127 341 L HA -0.108 4.286 4.340 0.090 0.000 0.211 341 L C 2.270 179.005 176.870 -0.223 0.000 1.089 341 L CA 2.047 56.785 54.840 -0.170 0.000 0.757 341 L CB -1.139 40.815 42.059 -0.174 0.000 0.899 341 L HN 0.190 nan 8.230 nan 0.000 0.434 342 G N -1.052 107.606 108.800 -0.236 0.000 2.421 342 G HA2 -0.264 3.750 3.960 0.090 0.000 0.216 342 G HA3 -0.264 3.750 3.960 0.090 0.000 0.216 342 G C 1.615 176.414 174.900 -0.169 0.000 1.171 342 G CA 0.794 45.749 45.100 -0.243 0.000 0.775 342 G HN 0.618 nan 8.290 nan 0.000 0.543 343 A N 0.554 123.293 122.820 -0.135 0.000 1.902 343 A HA 0.007 4.381 4.320 0.090 0.000 0.217 343 A C 2.479 180.017 177.584 -0.078 0.000 1.181 343 A CA 1.908 53.888 52.037 -0.095 0.000 0.623 343 A CB -0.373 18.580 19.000 -0.080 0.000 0.818 343 A HN 0.394 nan 8.150 nan 0.000 0.443 344 M N -0.598 118.949 119.600 -0.090 0.000 2.065 344 M HA -0.130 4.404 4.480 0.090 0.000 0.259 344 M C 2.098 178.362 176.300 -0.059 0.000 1.069 344 M CA 1.584 56.843 55.300 -0.068 0.000 1.110 344 M CB -0.509 32.043 32.600 -0.079 0.000 1.328 344 M HN 0.365 nan 8.290 nan 0.000 0.405 345 L N -0.896 120.258 121.223 -0.115 0.000 2.109 345 L HA -0.159 4.235 4.340 0.090 0.000 0.207 345 L C 2.670 179.547 176.870 0.011 0.000 1.086 345 L CA 0.622 55.414 54.840 -0.080 0.000 0.760 345 L CB -0.606 41.326 42.059 -0.212 0.000 0.910 345 L HN 0.374 nan 8.230 nan 0.000 0.437 346 M N -0.454 119.129 119.600 -0.028 0.000 2.108 346 M HA -0.169 4.365 4.480 0.090 0.000 0.261 346 M C 2.321 178.661 176.300 0.066 0.000 1.066 346 M CA 1.899 57.208 55.300 0.014 0.000 1.107 346 M CB -1.315 31.257 32.600 -0.048 0.000 1.356 346 M HN 0.242 nan 8.290 nan 0.000 0.406 347 T N -0.241 114.329 114.554 0.028 0.000 2.812 347 T HA -0.152 4.252 4.350 0.090 0.000 0.264 347 T C 1.747 176.480 174.700 0.056 0.000 1.042 347 T CA 1.506 63.623 62.100 0.029 0.000 1.140 347 T CB -0.161 68.707 68.868 0.001 0.000 0.870 347 T HN 0.478 nan 8.240 nan 0.000 0.445 348 E N 0.323 120.569 120.200 0.075 0.000 2.077 348 E HA -0.266 4.139 4.350 0.090 0.000 0.193 348 E C 2.078 178.763 176.600 0.142 0.000 0.989 348 E CA 1.434 57.898 56.400 0.106 0.000 0.800 348 E CB -0.138 29.637 29.700 0.125 0.000 0.746 348 E HN 0.681 nan 8.360 nan 0.000 0.452 349 H N 0.443 119.575 119.070 0.103 0.000 2.321 349 H HA -0.060 4.547 4.556 0.085 0.000 0.300 349 H C 1.838 177.268 175.328 0.170 0.000 1.087 349 H CA 2.272 58.401 56.048 0.135 0.000 1.319 349 H CB -0.117 29.704 29.762 0.098 0.000 1.379 349 H HN 0.132 nan 8.280 nan 0.000 0.501 350 N N 0.320 118.992 118.700 -0.046 0.000 2.188 350 N HA -0.105 4.689 4.740 0.090 0.000 0.184 350 N C 1.875 177.386 175.510 0.001 0.000 1.018 350 N CA 1.196 54.238 53.050 -0.014 0.000 0.858 350 N CB -0.098 38.484 38.487 0.159 0.000 0.989 350 N HN 0.385 nan 8.380 nan 0.000 0.426 351 I N 1.075 121.639 120.570 -0.010 0.000 2.315 351 I HA -0.113 4.112 4.170 0.090 0.000 0.248 351 I C 2.216 178.373 176.117 0.067 0.000 1.117 351 I CA 0.552 61.858 61.300 0.010 0.000 1.404 351 I CB -1.362 36.663 38.000 0.042 0.000 1.071 351 I HN -0.000 nan 8.210 nan 0.000 0.419 352 A N 0.820 123.677 122.820 0.062 0.000 1.908 352 A HA -0.277 4.097 4.320 0.090 0.000 0.218 352 A C 2.318 179.935 177.584 0.055 0.000 1.181 352 A CA 1.549 53.636 52.037 0.083 0.000 0.627 352 A CB -1.133 17.940 19.000 0.122 0.000 0.818 352 A HN 0.384 nan 8.150 nan 0.000 0.445 353 F N -0.878 118.961 119.950 -0.185 0.000 2.095 353 F HA -0.219 4.359 4.527 0.086 0.000 0.298 353 F C 2.149 177.837 175.800 -0.185 0.000 1.104 353 F CA 1.970 59.828 58.000 -0.236 0.000 1.232 353 F CB -0.451 38.301 39.000 -0.413 0.000 0.987 353 F HN 0.292 nan 8.300 nan 0.000 0.475 354 Y N 0.883 121.042 120.300 -0.235 0.000 2.165 354 Y HA -0.273 4.331 4.550 0.090 0.000 0.286 354 Y C 2.633 178.341 175.900 -0.320 0.000 1.155 354 Y CA 1.894 59.727 58.100 -0.446 0.000 1.164 354 Y CB -0.835 37.200 38.460 -0.707 0.000 0.978 354 Y HN 0.160 nan 8.280 nan 0.000 0.513 355 Q N -0.058 119.744 119.800 0.003 0.000 2.119 355 Q HA -0.200 4.194 4.340 0.090 0.000 0.201 355 Q C 2.130 178.118 176.000 -0.020 0.000 0.972 355 Q CA 1.408 57.235 55.803 0.039 0.000 0.847 355 Q CB -0.428 28.369 28.738 0.100 0.000 0.903 355 Q HN 0.631 nan 8.270 nan 0.000 0.433 356 Q N 0.085 119.855 119.800 -0.049 0.000 2.119 356 Q HA -0.115 4.279 4.340 0.090 0.000 0.201 356 Q C 2.096 178.086 176.000 -0.018 0.000 0.972 356 Q CA 0.724 56.536 55.803 0.016 0.000 0.847 356 Q CB -0.108 28.709 28.738 0.133 0.000 0.903 356 Q HN 0.191 nan 8.270 nan 0.000 0.433 357 L N 0.137 121.227 121.223 -0.221 0.000 2.017 357 L HA -0.200 4.194 4.340 0.090 0.000 0.208 357 L C 1.974 178.732 176.870 -0.186 0.000 1.073 357 L CA 1.735 56.458 54.840 -0.195 0.000 0.745 357 L CB -0.325 41.373 42.059 -0.602 0.000 0.894 357 L HN 0.210 nan 8.230 nan 0.000 0.432 358 M N -0.980 118.514 119.600 -0.177 0.000 2.117 358 M HA -0.179 4.355 4.480 0.090 0.000 0.262 358 M C 2.344 178.573 176.300 -0.118 0.000 1.065 358 M CA 1.617 56.849 55.300 -0.114 0.000 1.114 358 M CB -1.515 31.082 32.600 -0.005 0.000 1.361 358 M HN 0.398 nan 8.290 nan 0.000 0.408 359 Q N 0.993 120.738 119.800 -0.092 0.000 2.084 359 Q HA -0.122 4.272 4.340 0.090 0.000 0.202 359 Q C 1.920 177.811 176.000 -0.182 0.000 0.978 359 Q CA 1.861 57.605 55.803 -0.097 0.000 0.844 359 Q CB -0.131 28.578 28.738 -0.047 0.000 0.898 359 Q HN 0.466 nan 8.270 nan 0.000 0.426 360 K N -0.349 119.904 120.400 -0.246 0.000 2.057 360 K HA -0.104 4.270 4.320 0.090 0.000 0.207 360 K C 2.113 178.307 176.600 -0.678 0.000 1.049 360 K CA 1.453 57.454 56.287 -0.476 0.000 0.931 360 K CB -0.203 31.943 32.500 -0.589 0.000 0.714 360 K HN 0.280 nan 8.250 nan 0.000 0.440 361 I N 0.764 121.022 120.570 -0.520 0.000 2.179 361 I HA -0.291 3.934 4.170 0.090 0.000 0.242 361 I C 2.452 178.344 176.117 -0.376 0.000 1.088 361 I CA 1.278 62.318 61.300 -0.434 0.000 1.357 361 I CB -0.193 37.636 38.000 -0.285 0.000 1.051 361 I HN 0.139 nan 8.210 nan 0.000 0.409 362 R N 0.569 120.911 120.500 -0.263 0.000 2.073 362 R HA -0.179 4.215 4.340 0.090 0.000 0.234 362 R C 1.946 178.142 176.300 -0.172 0.000 1.134 362 R CA 1.739 57.724 56.100 -0.192 0.000 0.952 362 R CB -0.444 29.784 30.300 -0.120 0.000 0.850 362 R HN 0.368 nan 8.270 nan 0.000 0.433 363 D N 0.114 120.407 120.400 -0.178 0.000 2.117 363 D HA -0.129 4.565 4.640 0.090 0.000 0.197 363 D C 2.077 178.303 176.300 -0.124 0.000 0.987 363 D CA 1.848 55.765 54.000 -0.139 0.000 0.829 363 D CB -0.259 40.455 40.800 -0.143 0.000 0.961 363 D HN 0.224 nan 8.370 nan 0.000 0.460 364 S N 0.329 115.928 115.700 -0.168 0.000 2.383 364 S HA -0.091 4.433 4.470 0.090 0.000 0.227 364 S C 2.268 176.883 174.600 0.025 0.000 1.026 364 S CA 0.487 58.656 58.200 -0.052 0.000 0.981 364 S CB -0.631 62.557 63.200 -0.020 0.000 0.818 364 S HN 0.239 nan 8.310 nan 0.000 0.472 365 I N 1.919 122.454 120.570 -0.058 0.000 2.226 365 I HA -0.136 4.089 4.170 0.090 0.000 0.245 365 I C 2.993 179.091 176.117 -0.031 0.000 1.100 365 I CA 1.349 62.623 61.300 -0.043 0.000 1.374 365 I CB -0.567 37.310 38.000 -0.204 0.000 1.057 365 I HN 0.412 nan 8.210 nan 0.000 0.413 366 S N 0.505 116.168 115.700 -0.062 0.000 2.399 366 S HA -0.189 4.335 4.470 0.090 0.000 0.231 366 S C 1.708 176.293 174.600 -0.026 0.000 1.022 366 S CA 1.448 59.619 58.200 -0.048 0.000 0.983 366 S CB -0.242 62.922 63.200 -0.060 0.000 0.803 366 S HN 0.471 nan 8.310 nan 0.000 0.480 367 E N -0.206 119.984 120.200 -0.018 0.000 2.489 367 E HA 0.222 4.626 4.350 0.090 0.000 0.193 367 E C 1.006 177.618 176.600 0.019 0.000 1.057 367 E CA 0.225 56.623 56.400 -0.004 0.000 0.866 367 E CB -0.063 29.632 29.700 -0.008 0.000 0.916 367 E HN 0.588 nan 8.360 nan 0.000 0.500 368 G N 2.961 111.782 108.800 0.035 0.000 2.273 368 G HA2 -0.346 3.669 3.960 0.090 0.000 0.280 368 G HA3 -0.346 3.669 3.960 0.090 0.000 0.280 368 G C 0.499 175.445 174.900 0.075 0.000 1.047 368 G CA 0.798 45.933 45.100 0.057 0.000 0.869 368 G HN 0.439 nan 8.290 nan 0.000 0.502 369 R N -1.498 119.063 120.500 0.101 0.000 2.690 369 R HA 0.443 4.837 4.340 0.090 0.000 0.419 369 R C 1.239 177.655 176.300 0.192 0.000 1.090 369 R CA -0.323 55.843 56.100 0.110 0.000 1.064 369 R CB -0.115 30.233 30.300 0.080 0.000 1.391 369 R HN 0.228 nan 8.270 nan 0.000 0.586 370 F N 1.885 121.872 119.950 0.062 0.000 2.186 370 F HA -0.050 4.532 4.527 0.090 0.000 0.299 370 F C 2.263 178.152 175.800 0.147 0.000 1.090 370 F CA 1.446 59.513 58.000 0.112 0.000 1.307 370 F CB 0.004 39.041 39.000 0.061 0.000 1.019 370 F HN 0.195 nan 8.300 nan 0.000 0.489 371 S N -0.328 115.317 115.700 -0.092 0.000 2.368 371 S HA -0.264 4.260 4.470 0.090 0.000 0.225 371 S C 2.123 176.636 174.600 -0.144 0.000 1.030 371 S CA 1.546 59.619 58.200 -0.211 0.000 0.999 371 S CB -0.555 62.598 63.200 -0.079 0.000 0.844 371 S HN 0.536 nan 8.310 nan 0.000 0.459 372 Q N 0.227 120.009 119.800 -0.030 0.000 2.079 372 Q HA -0.030 4.364 4.340 0.090 0.000 0.200 372 Q C 1.754 177.756 176.000 0.005 0.000 0.974 372 Q CA 1.894 57.694 55.803 -0.005 0.000 0.840 372 Q CB -0.852 27.906 28.738 0.034 0.000 0.898 372 Q HN 0.687 nan 8.270 nan 0.000 0.430 373 F N 0.258 120.170 119.950 -0.064 0.000 2.095 373 F HA -0.141 4.440 4.527 0.090 0.000 0.298 373 F C 1.891 177.672 175.800 -0.032 0.000 1.104 373 F CA 1.735 59.722 58.000 -0.021 0.000 1.232 373 F CB -0.757 38.279 39.000 0.060 0.000 0.987 373 F HN 0.122 nan 8.300 nan 0.000 0.475 374 A N 0.328 122.955 122.820 -0.322 0.000 1.908 374 A HA -0.253 4.121 4.320 0.090 0.000 0.218 374 A C 2.137 179.594 177.584 -0.211 0.000 1.181 374 A CA 1.948 53.763 52.037 -0.371 0.000 0.627 374 A CB -0.951 17.728 19.000 -0.535 0.000 0.818 374 A HN 0.651 nan 8.150 nan 0.000 0.445 375 Q N -0.491 119.205 119.800 -0.175 0.000 2.050 375 Q HA -0.201 4.193 4.340 0.090 0.000 0.202 375 Q C 1.531 177.463 176.000 -0.113 0.000 0.980 375 Q CA 1.492 57.235 55.803 -0.100 0.000 0.840 375 Q CB -0.357 28.339 28.738 -0.070 0.000 0.898 375 Q HN 0.589 nan 8.270 nan 0.000 0.424 376 D N 0.328 120.641 120.400 -0.145 0.000 2.144 376 D HA -0.128 4.567 4.640 0.090 0.000 0.200 376 D C 1.569 177.753 176.300 -0.193 0.000 0.978 376 D CA 0.695 54.613 54.000 -0.136 0.000 0.833 376 D CB -0.321 40.420 40.800 -0.099 0.000 0.961 376 D HN 0.143 nan 8.370 nan 0.000 0.470 377 F N 2.119 121.777 119.950 -0.486 0.000 2.069 377 F HA -0.163 4.418 4.527 0.090 0.000 0.298 377 F C 2.268 177.910 175.800 -0.263 0.000 1.113 377 F CA 1.551 59.275 58.000 -0.460 0.000 1.214 377 F CB -0.137 38.370 39.000 -0.821 0.000 0.978 377 F HN -0.223 nan 8.300 nan 0.000 0.474 378 R N 0.340 120.534 120.500 -0.509 0.000 2.081 378 R HA -0.137 4.257 4.340 0.090 0.000 0.235 378 R C 2.501 178.596 176.300 -0.341 0.000 1.131 378 R CA 1.244 56.998 56.100 -0.578 0.000 0.960 378 R CB -0.990 29.277 30.300 -0.054 0.000 0.856 378 R HN 0.461 nan 8.270 nan 0.000 0.436 379 A N 1.210 123.935 122.820 -0.158 0.000 1.865 379 A HA -0.237 4.137 4.320 0.090 0.000 0.217 379 A C 2.165 179.701 177.584 -0.079 0.000 1.191 379 A CA 1.665 53.669 52.037 -0.054 0.000 0.623 379 A CB -0.530 18.447 19.000 -0.039 0.000 0.826 379 A HN 0.254 nan 8.150 nan 0.000 0.444 380 R N -2.529 117.892 120.500 -0.133 0.000 2.073 380 R HA -0.134 4.261 4.340 0.090 0.000 0.229 380 R C 2.103 178.333 176.300 -0.117 0.000 1.120 380 R CA 1.595 57.647 56.100 -0.080 0.000 0.967 380 R CB -0.435 29.850 30.300 -0.026 0.000 0.862 380 R HN 0.601 nan 8.270 nan 0.000 0.436 381 Y N -0.114 119.886 120.300 -0.500 0.000 2.224 381 Y HA -0.176 4.428 4.550 0.089 0.000 0.289 381 Y C 1.265 176.959 175.900 -0.344 0.000 1.146 381 Y CA 1.644 59.404 58.100 -0.566 0.000 1.182 381 Y CB -0.016 37.675 38.460 -1.282 0.000 0.983 381 Y HN 0.019 nan 8.280 nan 0.000 0.524 382 F N -0.528 119.383 119.950 -0.064 0.000 2.743 382 F HA 0.323 4.905 4.527 0.091 0.000 0.297 382 F C 1.513 177.270 175.800 -0.072 0.000 1.131 382 F CA -0.103 57.861 58.000 -0.060 0.000 1.426 382 F CB -1.193 37.805 39.000 -0.003 0.000 1.116 382 F HN -0.011 nan 8.300 nan 0.000 0.583 383 A N 0.000 122.856 122.820 0.060 0.000 2.254 383 A HA 0.000 4.374 4.320 0.090 0.000 0.244 383 A CA 0.000 52.056 52.037 0.032 0.000 0.836 383 A CB 0.000 19.009 19.000 0.015 0.000 0.831 383 A HN 0.000 nan 8.150 nan 0.000 0.486