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 1p0d_1_A DATA FIRST_RESID 11 DATA SEQUENCE RPRFSFSIAA REGKARTGTI EMKRGVIRTP AFMPVGTAAT VKALKPETVR DATA SEQUENCE ATGADIILGN TYHLMLRPGA ERIAKLGGLH SFMGWDRPIL TDSGGYQVMS DATA SEQUENCE LSSLTKQSEE GVTFXXXXXX XXXMLSPERS IEIQHLLGSD IVMAFDECTP DATA SEQUENCE YPATPSRAAS SMERSMRWAK RSRDAFDSRK EQAENAALFG IQQGSVFENL DATA SEQUENCE RQQSADALAE IGFDGYAVGG LAVGEGQDEM FRVLDFSVPM LPDDKPHYLM DATA SEQUENCE GVGKPDDIVG AVERGIDMFD CVLPTRSGRN GQAFTWDGPI NIRNARFSED DATA SEQUENCE LKPLDSECHC AVCQKWSRAY IHHLIRAGEI LGAMLMTEHN IAFYQQLMQK DATA SEQUENCE IRDSISEGRF SQFAQDFRAR YF 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 0.000 176.310 176.300 0.017 0.000 0.893 11 R CA 0.000 56.101 56.100 0.002 0.000 0.921 11 R CB 0.000 30.299 30.300 -0.002 0.000 0.687 12 P HA 0.183 nan 4.420 nan 0.000 0.276 12 P C -0.218 177.132 177.300 0.083 0.000 1.261 12 P CA -0.528 62.602 63.100 0.051 0.000 0.800 12 P CB 1.101 32.830 31.700 0.049 0.000 1.066 13 R N -0.123 120.450 120.500 0.121 0.000 2.081 13 R HA -0.055 4.337 4.340 0.087 0.000 0.235 13 R C -0.271 176.204 176.300 0.291 0.000 1.131 13 R CA 1.180 57.385 56.100 0.175 0.000 0.960 13 R CB -0.117 30.290 30.300 0.179 0.000 0.856 13 R HN 0.526 nan 8.270 nan 0.000 0.436 14 F N -0.637 119.368 119.950 0.091 0.000 2.639 14 F HA 0.299 4.878 4.527 0.086 0.000 0.326 14 F C -1.667 174.199 175.800 0.110 0.000 1.150 14 F CA -0.569 57.498 58.000 0.111 0.000 1.057 14 F CB 2.040 41.122 39.000 0.136 0.000 1.300 14 F HN -0.150 nan 8.300 nan 0.000 0.486 15 S N 6.663 122.142 115.700 -0.369 0.000 2.680 15 S HA 0.483 5.005 4.470 0.087 0.000 0.262 15 S C -1.964 172.472 174.600 -0.272 0.000 1.138 15 S CA -0.362 57.724 58.200 -0.191 0.000 1.072 15 S CB 0.360 63.520 63.200 -0.068 0.000 1.097 15 S HN 0.569 nan 8.310 nan 0.000 0.468 16 F N 5.582 125.318 119.950 -0.355 0.000 2.415 16 F HA 0.734 5.313 4.527 0.086 0.000 0.348 16 F C -0.078 175.652 175.800 -0.118 0.000 1.119 16 F CA -0.648 57.200 58.000 -0.253 0.000 1.069 16 F CB 1.419 40.333 39.000 -0.143 0.000 1.124 16 F HN 0.492 nan 8.300 nan 0.000 0.472 17 S N 6.670 122.022 115.700 -0.579 0.000 2.532 17 S HA 0.693 5.215 4.470 0.087 0.000 0.299 17 S C -0.858 173.315 174.600 -0.711 0.000 1.105 17 S CA -0.833 57.038 58.200 -0.549 0.000 1.018 17 S CB 1.240 64.282 63.200 -0.263 0.000 1.021 17 S HN 0.567 nan 8.310 nan 0.000 0.483 18 I N 3.119 123.320 120.570 -0.616 0.000 2.304 18 I HA 0.397 4.619 4.170 0.087 0.000 0.291 18 I C 1.158 177.133 176.117 -0.237 0.000 1.018 18 I CA -0.702 60.332 61.300 -0.443 0.000 1.260 18 I CB 1.399 39.188 38.000 -0.352 0.000 1.390 18 I HN 0.950 nan 8.210 nan 0.000 0.475 19 A N 5.395 128.108 122.820 -0.178 0.000 1.984 19 A HA 0.601 4.973 4.320 0.087 0.000 0.214 19 A C 0.993 178.525 177.584 -0.087 0.000 1.173 19 A CA 0.835 52.801 52.037 -0.117 0.000 0.673 19 A CB 0.185 19.127 19.000 -0.097 0.000 0.830 19 A HN 0.732 nan 8.150 nan 0.000 0.453 20 A N -1.002 121.769 122.820 -0.083 0.000 2.606 20 A HA 0.772 5.144 4.320 0.087 0.000 0.293 20 A C -0.653 176.901 177.584 -0.051 0.000 1.082 20 A CA -0.763 51.239 52.037 -0.058 0.000 0.685 20 A CB 1.134 20.104 19.000 -0.050 0.000 1.284 20 A HN 0.307 nan 8.150 nan 0.000 0.408 21 R N 0.030 120.513 120.500 -0.028 0.000 2.808 21 R HA 0.745 5.137 4.340 0.087 0.000 0.272 21 R C -1.360 174.950 176.300 0.017 0.000 0.995 21 R CA -0.705 55.389 56.100 -0.011 0.000 0.917 21 R CB 2.509 32.808 30.300 -0.002 0.000 1.217 21 R HN 0.768 nan 8.270 nan 0.000 0.471 22 E N 0.748 120.974 120.200 0.042 0.000 2.404 22 E HA 0.300 4.702 4.350 0.087 0.000 0.298 22 E C -0.133 176.534 176.600 0.111 0.000 0.908 22 E CA 0.220 56.672 56.400 0.088 0.000 0.808 22 E CB 1.175 30.962 29.700 0.145 0.000 1.380 22 E HN 0.797 nan 8.360 nan 0.000 0.392 23 G N 4.444 113.295 108.800 0.085 0.000 2.583 23 G HA2 -0.395 3.617 3.960 0.087 0.000 0.292 23 G HA3 -0.395 3.617 3.960 0.087 0.000 0.292 23 G C 0.623 175.570 174.900 0.078 0.000 1.203 23 G CA 0.529 45.678 45.100 0.082 0.000 0.987 23 G HN 0.572 nan 8.290 nan 0.000 0.554 24 K N 1.357 121.810 120.400 0.088 0.000 2.418 24 K HA 0.470 4.842 4.320 0.087 0.000 0.195 24 K C 1.441 178.093 176.600 0.087 0.000 1.035 24 K CA 0.549 56.886 56.287 0.083 0.000 1.003 24 K CB 0.142 32.686 32.500 0.073 0.000 0.793 24 K HN 0.778 nan 8.250 nan 0.000 0.494 25 A N 1.947 124.820 122.820 0.089 0.000 2.407 25 A HA 0.344 4.716 4.320 0.087 0.000 0.248 25 A C -0.318 177.251 177.584 -0.025 0.000 1.082 25 A CA -0.089 51.953 52.037 0.008 0.000 0.785 25 A CB 0.289 19.230 19.000 -0.098 0.000 1.020 25 A HN 0.172 nan 8.150 nan 0.000 0.489 26 R N -0.089 120.384 120.500 -0.044 0.000 2.771 26 R HA 0.749 5.141 4.340 0.087 0.000 0.274 26 R C -0.764 175.508 176.300 -0.047 0.000 0.987 26 R CA -0.428 55.656 56.100 -0.028 0.000 0.908 26 R CB 2.112 32.433 30.300 0.035 0.000 1.213 26 R HN 0.661 nan 8.270 nan 0.000 0.468 27 T N -0.027 114.493 114.554 -0.056 0.000 2.916 27 T HA 0.800 5.202 4.350 0.087 0.000 0.298 27 T C -0.646 174.020 174.700 -0.056 0.000 1.031 27 T CA 0.003 62.074 62.100 -0.048 0.000 0.993 27 T CB 1.374 70.190 68.868 -0.086 0.000 1.045 27 T HN 0.769 nan 8.240 nan 0.000 0.454 28 G N 2.046 110.835 108.800 -0.018 0.000 2.529 28 G HA2 0.669 4.681 3.960 0.087 0.000 0.238 28 G HA3 0.669 4.681 3.960 0.087 0.000 0.238 28 G C -0.804 174.097 174.900 0.002 0.000 1.207 28 G CA 0.090 45.144 45.100 -0.077 0.000 0.928 28 G HN 1.173 nan 8.290 nan 0.000 0.495 29 T N -1.911 112.633 114.554 -0.016 0.000 2.894 29 T HA 0.717 5.119 4.350 0.087 0.000 0.309 29 T C -1.140 173.622 174.700 0.104 0.000 1.208 29 T CA -0.572 61.554 62.100 0.043 0.000 1.016 29 T CB 1.923 70.779 68.868 -0.020 0.000 1.192 29 T HN 0.608 nan 8.240 nan 0.000 0.491 30 I N 1.709 122.321 120.570 0.070 0.000 2.382 30 I HA 0.347 4.569 4.170 0.087 0.000 0.286 30 I C 0.008 176.059 176.117 -0.111 0.000 1.002 30 I CA -0.680 60.585 61.300 -0.058 0.000 1.135 30 I CB 1.655 39.601 38.000 -0.091 0.000 1.288 30 I HN 0.664 nan 8.210 nan 0.000 0.448 31 E N 7.576 127.679 120.200 -0.161 0.000 2.197 31 E HA 0.600 5.002 4.350 0.087 0.000 0.281 31 E C -0.757 175.796 176.600 -0.077 0.000 0.995 31 E CA -0.403 55.943 56.400 -0.091 0.000 0.808 31 E CB 1.950 31.610 29.700 -0.067 0.000 1.093 31 E HN 0.477 nan 8.360 nan 0.000 0.394 32 M N 1.468 121.064 119.600 -0.007 0.000 2.667 32 M HA 0.289 4.821 4.480 0.087 0.000 0.286 32 M C 0.779 177.103 176.300 0.039 0.000 1.270 32 M CA -0.817 54.518 55.300 0.057 0.000 0.826 32 M CB 1.765 34.430 32.600 0.109 0.000 1.743 32 M HN 0.245 nan 8.290 nan 0.000 0.460 33 K N 0.287 120.717 120.400 0.051 0.000 2.063 33 K HA -0.075 4.297 4.320 0.087 0.000 0.208 33 K C 1.445 178.038 176.600 -0.012 0.000 1.048 33 K CA 1.546 57.844 56.287 0.018 0.000 0.928 33 K CB 0.020 32.532 32.500 0.019 0.000 0.713 33 K HN 0.430 nan 8.250 nan 0.000 0.442 34 R N -0.040 120.451 120.500 -0.014 0.000 2.310 34 R HA 0.087 4.479 4.340 0.087 0.000 0.202 34 R C 0.351 176.626 176.300 -0.042 0.000 0.933 34 R CA 0.216 56.286 56.100 -0.050 0.000 1.054 34 R CB 0.735 30.989 30.300 -0.076 0.000 0.985 34 R HN 0.236 nan 8.270 nan 0.000 0.489 35 G N -0.670 108.120 108.800 -0.016 0.000 2.352 35 G HA2 0.042 4.054 3.960 0.087 0.000 0.302 35 G HA3 0.042 4.054 3.960 0.087 0.000 0.302 35 G C -1.585 173.314 174.900 -0.001 0.000 1.370 35 G CA -1.027 44.062 45.100 -0.019 0.000 0.918 35 G HN -0.090 nan 8.290 nan 0.000 0.610 36 V N 0.465 120.377 119.914 -0.004 0.000 2.472 36 V HA 0.638 4.810 4.120 0.087 0.000 0.290 36 V C 0.252 176.358 176.094 0.021 0.000 1.037 36 V CA -0.517 61.783 62.300 -0.000 0.000 0.908 36 V CB 1.434 33.251 31.823 -0.010 0.000 0.985 36 V HN 0.602 nan 8.190 nan 0.000 0.454 37 I N 4.847 125.432 120.570 0.026 0.000 2.362 37 I HA 0.473 4.695 4.170 0.087 0.000 0.289 37 I C 0.243 176.391 176.117 0.051 0.000 0.994 37 I CA -0.470 60.858 61.300 0.046 0.000 1.158 37 I CB 1.352 39.379 38.000 0.045 0.000 1.315 37 I HN 0.495 nan 8.210 nan 0.000 0.451 38 R N 3.951 124.484 120.500 0.054 0.000 2.340 38 R HA 0.436 4.828 4.340 0.087 0.000 0.300 38 R C -0.120 176.223 176.300 0.073 0.000 1.069 38 R CA -0.329 55.802 56.100 0.052 0.000 0.984 38 R CB 1.105 31.427 30.300 0.037 0.000 1.003 38 R HN 0.651 nan 8.270 nan 0.000 0.459 39 T N 0.528 115.134 114.554 0.087 0.000 2.885 39 T HA 0.468 4.870 4.350 0.087 0.000 0.285 39 T C -2.625 172.116 174.700 0.069 0.000 1.019 39 T CA -2.850 59.313 62.100 0.106 0.000 1.010 39 T CB 2.190 71.160 68.868 0.170 0.000 1.022 39 T HN 0.186 nan 8.240 nan 0.000 0.466 40 P HA 0.430 nan 4.420 nan 0.000 0.268 40 P C -1.037 176.371 177.300 0.179 0.000 1.205 40 P CA -0.153 63.037 63.100 0.150 0.000 0.771 40 P CB 0.416 32.238 31.700 0.204 0.000 0.858 41 A N 3.141 126.095 122.820 0.223 0.000 2.374 41 A HA 0.704 5.076 4.320 0.087 0.000 0.317 41 A C -1.523 176.266 177.584 0.342 0.000 1.094 41 A CA -0.486 51.680 52.037 0.214 0.000 0.765 41 A CB 0.719 19.783 19.000 0.106 0.000 1.268 41 A HN 0.465 nan 8.150 nan 0.000 0.438 42 F N 2.088 122.143 119.950 0.175 0.000 2.444 42 F HA 0.696 5.272 4.527 0.082 0.000 0.342 42 F C -0.385 175.476 175.800 0.101 0.000 1.121 42 F CA -0.912 57.205 58.000 0.195 0.000 0.997 42 F CB 1.523 40.633 39.000 0.185 0.000 1.130 42 F HN 0.483 nan 8.300 nan 0.000 0.454 43 M N 8.408 127.507 119.600 -0.835 0.000 2.088 43 M HA 0.360 4.892 4.480 0.087 0.000 0.346 43 M C -2.478 173.309 176.300 -0.854 0.000 1.111 43 M CA -1.789 53.132 55.300 -0.631 0.000 1.017 43 M CB 1.313 33.657 32.600 -0.428 0.000 1.568 43 M HN 0.338 nan 8.290 nan 0.000 0.445 44 P HA 0.096 nan 4.420 nan 0.000 0.271 44 P C -0.770 176.358 177.300 -0.285 0.000 1.218 44 P CA -0.306 62.639 63.100 -0.257 0.000 0.780 44 P CB 0.628 32.252 31.700 -0.126 0.000 0.901 45 V N 3.000 122.801 119.914 -0.188 0.000 2.432 45 V HA 0.482 4.654 4.120 0.087 0.000 0.275 45 V C 1.011 177.017 176.094 -0.148 0.000 1.043 45 V CA -0.055 62.150 62.300 -0.158 0.000 0.925 45 V CB 0.965 32.735 31.823 -0.088 0.000 0.985 45 V HN 0.713 nan 8.190 nan 0.000 0.466 46 G N 2.836 111.537 108.800 -0.165 0.000 2.547 46 G HA2 0.489 4.501 3.960 0.087 0.000 0.327 46 G HA3 0.489 4.501 3.960 0.087 0.000 0.327 46 G C -0.124 174.716 174.900 -0.101 0.000 1.118 46 G CA -0.262 44.747 45.100 -0.152 0.000 1.022 46 G HN 0.607 nan 8.290 nan 0.000 0.464 47 T N 1.453 115.946 114.554 -0.102 0.000 2.767 47 T HA 0.479 4.881 4.350 0.087 0.000 0.288 47 T C 0.903 175.521 174.700 -0.135 0.000 0.963 47 T CA 0.903 62.925 62.100 -0.130 0.000 1.019 47 T CB 1.390 70.138 68.868 -0.201 0.000 0.923 47 T HN 1.700 nan 8.240 nan 0.000 0.468 48 A N 3.005 125.772 122.820 -0.089 0.000 2.914 48 A HA 0.111 4.483 4.320 0.087 0.000 0.280 48 A C 1.282 178.878 177.584 0.019 0.000 1.447 48 A CA 0.744 52.769 52.037 -0.021 0.000 0.759 48 A CB -2.329 16.627 19.000 -0.073 0.000 1.034 48 A HN 2.536 nan 8.150 nan 0.000 0.529 49 A N -2.925 119.910 122.820 0.026 0.000 2.872 49 A HA 0.248 4.620 4.320 0.087 0.000 0.273 49 A C 1.312 178.875 177.584 -0.035 0.000 1.442 49 A CA 2.403 54.464 52.037 0.040 0.000 0.801 49 A CB -2.288 16.830 19.000 0.196 0.000 1.031 49 A HN 3.188 nan 8.150 nan 0.000 0.582 50 T N -1.550 112.963 114.554 -0.069 0.000 3.159 50 T HA 0.477 4.879 4.350 0.087 0.000 0.343 50 T C -0.721 173.917 174.700 -0.102 0.000 1.364 50 T CA 0.301 62.349 62.100 -0.086 0.000 1.102 50 T CB 1.366 70.189 68.868 -0.076 0.000 1.263 50 T HN 1.166 nan 8.240 nan 0.000 0.477 51 V N 6.305 126.151 119.914 -0.114 0.000 2.372 51 V HA 0.304 4.476 4.120 0.087 0.000 0.261 51 V C 0.798 176.847 176.094 -0.074 0.000 1.055 51 V CA -0.525 61.707 62.300 -0.113 0.000 0.930 51 V CB 0.283 32.024 31.823 -0.137 0.000 1.031 51 V HN 0.827 nan 8.190 nan 0.000 0.479 52 K N 4.514 124.873 120.400 -0.068 0.000 2.476 52 K HA 0.059 4.431 4.320 0.087 0.000 0.273 52 K C 1.180 177.755 176.600 -0.041 0.000 1.056 52 K CA 0.886 57.140 56.287 -0.055 0.000 1.150 52 K CB -0.029 32.439 32.500 -0.053 0.000 0.838 52 K HN 1.105 nan 8.250 nan 0.000 0.486 53 A N 2.300 125.096 122.820 -0.039 0.000 3.021 53 A HA -0.199 4.173 4.320 0.087 0.000 0.257 53 A C -0.177 177.395 177.584 -0.019 0.000 1.277 53 A CA 0.845 52.862 52.037 -0.033 0.000 1.012 53 A CB -1.991 16.987 19.000 -0.036 0.000 1.147 53 A HN 0.553 nan 8.150 nan 0.000 0.861 54 L N -0.801 120.413 121.223 -0.015 0.000 2.408 54 L HA 0.476 4.868 4.340 0.087 0.000 0.268 54 L C 0.334 177.211 176.870 0.013 0.000 0.986 54 L CA -0.869 53.974 54.840 0.006 0.000 0.820 54 L CB 1.942 44.010 42.059 0.014 0.000 1.303 54 L HN 0.234 nan 8.230 nan 0.000 0.411 55 K N 2.429 122.851 120.400 0.035 0.000 2.202 55 K HA 0.201 4.573 4.320 0.087 0.000 0.264 55 K C -1.673 174.983 176.600 0.093 0.000 1.010 55 K CA -1.475 54.842 56.287 0.049 0.000 0.940 55 K CB 1.095 33.627 32.500 0.053 0.000 0.983 55 K HN 0.229 nan 8.250 nan 0.000 0.475 56 P HA -0.247 nan 4.420 nan 0.000 0.218 56 P C 0.741 178.220 177.300 0.299 0.000 1.148 56 P CA 1.334 64.604 63.100 0.283 0.000 0.822 56 P CB 0.123 32.028 31.700 0.341 0.000 0.784 57 E N -1.179 119.124 120.200 0.171 0.000 2.153 57 E HA -0.133 4.269 4.350 0.087 0.000 0.194 57 E C 1.290 177.974 176.600 0.140 0.000 0.988 57 E CA 1.455 57.931 56.400 0.128 0.000 0.811 57 E CB -1.438 28.309 29.700 0.079 0.000 0.746 57 E HN 0.150 nan 8.360 nan 0.000 0.466 58 T N 1.153 115.787 114.554 0.134 0.000 2.857 58 T HA -0.061 4.341 4.350 0.087 0.000 0.266 58 T C 2.096 176.885 174.700 0.149 0.000 1.048 58 T CA 1.127 63.303 62.100 0.126 0.000 1.139 58 T CB -0.143 68.786 68.868 0.102 0.000 0.874 58 T HN 0.028 nan 8.240 nan 0.000 0.455 59 V N 1.885 121.904 119.914 0.174 0.000 2.287 59 V HA -0.175 3.997 4.120 0.087 0.000 0.248 59 V C 2.672 178.936 176.094 0.283 0.000 1.053 59 V CA 1.715 64.123 62.300 0.179 0.000 1.027 59 V CB -0.560 31.322 31.823 0.099 0.000 0.646 59 V HN 0.258 nan 8.190 nan 0.000 0.447 60 R N 1.200 121.932 120.500 0.387 0.000 2.092 60 R HA -0.048 4.344 4.340 0.087 0.000 0.231 60 R C 2.127 178.532 176.300 0.174 0.000 1.119 60 R CA 1.855 58.134 56.100 0.298 0.000 0.970 60 R CB -1.070 29.313 30.300 0.139 0.000 0.864 60 R HN 0.428 nan 8.270 nan 0.000 0.440 61 A N -0.353 122.556 122.820 0.147 0.000 1.978 61 A HA -0.171 4.201 4.320 0.087 0.000 0.220 61 A C 2.114 179.773 177.584 0.124 0.000 1.170 61 A CA 2.113 54.220 52.037 0.117 0.000 0.636 61 A CB -1.213 17.855 19.000 0.112 0.000 0.810 61 A HN 0.644 nan 8.150 nan 0.000 0.448 62 T N -4.465 110.173 114.554 0.141 0.000 3.035 62 T HA 0.330 4.732 4.350 0.087 0.000 0.268 62 T C 1.421 176.200 174.700 0.133 0.000 1.109 62 T CA 1.397 63.579 62.100 0.136 0.000 1.119 62 T CB -0.032 68.916 68.868 0.134 0.000 0.900 62 T HN 1.671 nan 8.240 nan 0.000 0.503 63 G N 0.654 109.539 108.800 0.140 0.000 2.205 63 G HA2 0.113 4.125 3.960 0.087 0.000 0.180 63 G HA3 0.113 4.125 3.960 0.087 0.000 0.180 63 G C 0.240 175.235 174.900 0.159 0.000 1.004 63 G CA -0.190 44.987 45.100 0.129 0.000 0.670 63 G HN 1.062 nan 8.290 nan 0.000 0.496 64 A N 0.412 123.356 122.820 0.206 0.000 2.477 64 A HA 0.532 4.904 4.320 0.087 0.000 0.246 64 A C 1.003 178.775 177.584 0.312 0.000 1.078 64 A CA 0.978 53.159 52.037 0.240 0.000 0.770 64 A CB 0.300 19.426 19.000 0.210 0.000 1.011 64 A HN 0.162 nan 8.150 nan 0.000 0.494 65 D N 0.540 121.089 120.400 0.249 0.000 2.388 65 D HA 0.213 4.905 4.640 0.087 0.000 0.208 65 D C 0.248 176.758 176.300 0.349 0.000 1.035 65 D CA 0.825 54.965 54.000 0.233 0.000 0.875 65 D CB 0.477 41.355 40.800 0.131 0.000 0.984 65 D HN 0.585 nan 8.370 nan 0.000 0.508 66 I N 0.411 121.172 120.570 0.317 0.000 2.908 66 I HA 0.301 4.523 4.170 0.087 0.000 0.300 66 I C -1.775 174.310 176.117 -0.054 0.000 1.385 66 I CA -0.976 60.477 61.300 0.256 0.000 1.004 66 I CB 2.321 40.378 38.000 0.095 0.000 1.309 66 I HN -0.221 nan 8.210 nan 0.000 0.449 67 I N 3.840 124.251 120.570 -0.264 0.000 3.002 67 I HA 0.578 4.800 4.170 0.087 0.000 0.310 67 I C -1.823 174.093 176.117 -0.335 0.000 1.087 67 I CA -0.964 60.059 61.300 -0.461 0.000 1.017 67 I CB 2.117 39.613 38.000 -0.840 0.000 1.226 67 I HN 0.626 nan 8.210 nan 0.000 0.443 68 L N 2.858 123.898 121.223 -0.306 0.000 2.282 68 L HA 0.766 5.158 4.340 0.087 0.000 0.288 68 L C -0.003 176.755 176.870 -0.187 0.000 1.033 68 L CA -0.235 54.471 54.840 -0.224 0.000 0.807 68 L CB 1.267 43.214 42.059 -0.187 0.000 1.209 68 L HN 0.911 nan 8.230 nan 0.000 0.423 69 G N 3.674 112.387 108.800 -0.145 0.000 2.384 69 G HA2 0.269 4.281 3.960 0.087 0.000 0.316 69 G HA3 0.269 4.281 3.960 0.087 0.000 0.316 69 G C -0.728 174.150 174.900 -0.037 0.000 1.160 69 G CA -0.562 44.478 45.100 -0.100 0.000 0.936 69 G HN 0.807 nan 8.290 nan 0.000 0.455 70 N N 1.858 120.563 118.700 0.008 0.000 2.483 70 N HA 0.125 4.917 4.740 0.087 0.000 0.264 70 N C 1.148 176.725 175.510 0.113 0.000 1.197 70 N CA -0.138 52.965 53.050 0.089 0.000 0.927 70 N CB 1.204 39.814 38.487 0.206 0.000 1.065 70 N HN 0.390 nan 8.380 nan 0.000 0.461 71 T N 1.068 115.684 114.554 0.104 0.000 2.939 71 T HA -0.117 4.285 4.350 0.087 0.000 0.254 71 T C 1.538 176.309 174.700 0.117 0.000 1.041 71 T CA 0.405 62.561 62.100 0.094 0.000 1.142 71 T CB -0.388 68.526 68.868 0.077 0.000 0.874 71 T HN 0.536 nan 8.240 nan 0.000 0.452 72 Y N 2.505 122.802 120.300 -0.004 0.000 2.062 72 Y HA -0.346 4.255 4.550 0.086 0.000 0.276 72 Y C 2.490 178.343 175.900 -0.079 0.000 1.189 72 Y CA 1.821 59.876 58.100 -0.076 0.000 1.130 72 Y CB -0.586 37.748 38.460 -0.211 0.000 0.959 72 Y HN 0.391 nan 8.280 nan 0.000 0.499 73 H N -0.420 118.681 119.070 0.051 0.000 2.321 73 H HA -0.143 4.466 4.556 0.089 0.000 0.300 73 H C 2.459 177.751 175.328 -0.060 0.000 1.087 73 H CA 1.948 57.976 56.048 -0.034 0.000 1.319 73 H CB -0.596 29.205 29.762 0.065 0.000 1.379 73 H HN 0.384 nan 8.280 nan 0.000 0.501 74 L N 0.991 122.278 121.223 0.107 0.000 2.131 74 L HA -0.176 4.216 4.340 0.087 0.000 0.210 74 L C 2.836 179.695 176.870 -0.020 0.000 1.092 74 L CA 1.060 55.925 54.840 0.041 0.000 0.759 74 L CB -0.463 41.620 42.059 0.038 0.000 0.903 74 L HN 0.305 nan 8.230 nan 0.000 0.435 75 M N -1.488 118.090 119.600 -0.037 0.000 2.374 75 M HA -0.118 4.414 4.480 0.087 0.000 0.264 75 M C 1.804 178.059 176.300 -0.076 0.000 1.067 75 M CA 1.743 57.014 55.300 -0.048 0.000 1.103 75 M CB -0.246 32.344 32.600 -0.017 0.000 1.402 75 M HN 0.154 nan 8.290 nan 0.000 0.444 76 L N -0.227 120.930 121.223 -0.111 0.000 2.189 76 L HA 0.238 4.630 4.340 0.087 0.000 0.199 76 L C 1.469 178.302 176.870 -0.062 0.000 1.074 76 L CA 0.397 55.169 54.840 -0.113 0.000 0.783 76 L CB 0.052 42.003 42.059 -0.180 0.000 0.955 76 L HN 0.298 nan 8.230 nan 0.000 0.460 77 R N 0.611 121.094 120.500 -0.030 0.000 2.514 77 R HA 0.244 4.636 4.340 0.087 0.000 0.296 77 R C -2.274 174.044 176.300 0.030 0.000 1.012 77 R CA -1.363 54.739 56.100 0.004 0.000 0.897 77 R CB 2.136 32.453 30.300 0.028 0.000 1.184 77 R HN -0.218 nan 8.270 nan 0.000 0.440 78 P HA 0.159 nan 4.420 nan 0.000 0.249 78 P C -0.143 177.117 177.300 -0.066 0.000 1.229 78 P CA 0.524 63.613 63.100 -0.019 0.000 0.788 78 P CB 0.608 32.299 31.700 -0.016 0.000 1.072 79 G N -0.355 108.399 108.800 -0.077 0.000 2.885 79 G HA2 0.104 4.116 3.960 0.087 0.000 0.685 79 G HA3 0.104 4.116 3.960 0.087 0.000 0.685 79 G C 0.608 175.443 174.900 -0.108 0.000 1.216 79 G CA -0.406 44.644 45.100 -0.085 0.000 0.790 79 G HN 0.148 nan 8.290 nan 0.000 0.631 80 A N 1.123 123.891 122.820 -0.086 0.000 1.858 80 A HA 0.100 4.472 4.320 0.087 0.000 0.216 80 A C 2.102 179.623 177.584 -0.105 0.000 1.190 80 A CA 2.472 54.456 52.037 -0.089 0.000 0.617 80 A CB -0.430 18.535 19.000 -0.058 0.000 0.827 80 A HN 0.902 nan 8.150 nan 0.000 0.443 81 E N -0.590 119.557 120.200 -0.088 0.000 2.118 81 E HA -0.177 4.225 4.350 0.087 0.000 0.195 81 E C 2.141 178.678 176.600 -0.105 0.000 0.992 81 E CA 1.399 57.747 56.400 -0.085 0.000 0.804 81 E CB -0.240 29.420 29.700 -0.066 0.000 0.741 81 E HN 0.638 nan 8.360 nan 0.000 0.458 82 R N 0.369 120.797 120.500 -0.121 0.000 2.066 82 R HA -0.072 4.320 4.340 0.087 0.000 0.232 82 R C 2.187 178.356 176.300 -0.219 0.000 1.131 82 R CA 1.303 57.316 56.100 -0.144 0.000 0.955 82 R CB -0.299 29.918 30.300 -0.139 0.000 0.851 82 R HN 0.178 nan 8.270 nan 0.000 0.432 83 I N 0.932 121.328 120.570 -0.291 0.000 2.286 83 I HA -0.252 3.970 4.170 0.087 0.000 0.248 83 I C 2.558 178.535 176.117 -0.234 0.000 1.115 83 I CA 1.233 62.288 61.300 -0.407 0.000 1.392 83 I CB -0.404 37.357 38.000 -0.398 0.000 1.065 83 I HN 0.356 nan 8.210 nan 0.000 0.418 84 A N 0.730 123.450 122.820 -0.167 0.000 1.877 84 A HA -0.278 4.094 4.320 0.087 0.000 0.216 84 A C 2.398 179.922 177.584 -0.099 0.000 1.186 84 A CA 1.953 53.914 52.037 -0.126 0.000 0.620 84 A CB -0.584 18.340 19.000 -0.126 0.000 0.822 84 A HN 0.335 nan 8.150 nan 0.000 0.443 85 K N -0.901 119.441 120.400 -0.097 0.000 2.103 85 K HA -0.130 4.242 4.320 0.087 0.000 0.207 85 K C 1.236 177.802 176.600 -0.056 0.000 1.048 85 K CA 1.288 57.535 56.287 -0.068 0.000 0.930 85 K CB -0.212 32.250 32.500 -0.064 0.000 0.716 85 K HN 0.317 nan 8.250 nan 0.000 0.444 86 L N -0.262 120.912 121.223 -0.082 0.000 2.610 86 L HA 0.101 4.493 4.340 0.087 0.000 0.232 86 L C 1.353 178.226 176.870 0.006 0.000 1.149 86 L CA 1.494 56.311 54.840 -0.038 0.000 0.872 86 L CB 0.208 42.218 42.059 -0.082 0.000 0.992 86 L HN 0.541 nan 8.230 nan 0.000 0.447 87 G N -2.219 106.571 108.800 -0.016 0.000 2.192 87 G HA2 0.141 4.153 3.960 0.087 0.000 0.193 87 G HA3 0.141 4.153 3.960 0.087 0.000 0.193 87 G C 0.646 175.564 174.900 0.031 0.000 0.999 87 G CA -0.284 44.825 45.100 0.015 0.000 0.659 87 G HN 0.872 nan 8.290 nan 0.000 0.503 88 G N -1.622 107.178 108.800 0.000 0.000 2.619 88 G HA2 0.204 4.216 3.960 0.087 0.000 0.686 88 G HA3 0.204 4.216 3.960 0.087 0.000 0.686 88 G C 0.426 175.384 174.900 0.097 0.000 1.256 88 G CA -0.051 45.069 45.100 0.034 0.000 0.826 88 G HN 1.478 nan 8.290 nan 0.000 0.619 89 L N 0.541 121.816 121.223 0.085 0.000 2.046 89 L HA 0.064 4.456 4.340 0.087 0.000 0.208 89 L C 2.563 179.519 176.870 0.144 0.000 1.077 89 L CA 3.134 58.036 54.840 0.103 0.000 0.747 89 L CB -0.996 41.053 42.059 -0.017 0.000 0.896 89 L HN 0.769 nan 8.230 nan 0.000 0.432 90 H N -1.622 117.543 119.070 0.158 0.000 2.290 90 H HA -0.166 4.441 4.556 0.085 0.000 0.298 90 H C 2.560 177.981 175.328 0.155 0.000 1.087 90 H CA 2.097 58.249 56.048 0.174 0.000 1.291 90 H CB -0.576 29.260 29.762 0.123 0.000 1.369 90 H HN 0.419 nan 8.280 nan 0.000 0.492 91 S N -0.428 115.432 115.700 0.267 0.000 2.368 91 S HA -0.192 4.330 4.470 0.087 0.000 0.225 91 S C 2.051 176.777 174.600 0.210 0.000 1.030 91 S CA 1.079 59.392 58.200 0.188 0.000 0.999 91 S CB -0.516 62.772 63.200 0.148 0.000 0.844 91 S HN 0.345 nan 8.310 nan 0.000 0.459 92 F N 3.162 123.147 119.950 0.058 0.000 2.065 92 F HA -0.100 4.484 4.527 0.095 0.000 0.298 92 F C 2.210 178.032 175.800 0.038 0.000 1.112 92 F CA 2.287 60.309 58.000 0.035 0.000 1.212 92 F CB -0.548 38.464 39.000 0.019 0.000 0.975 92 F HN 0.406 nan 8.300 nan 0.000 0.476 93 M N -1.538 118.098 119.600 0.059 0.000 2.502 93 M HA 0.400 4.932 4.480 0.087 0.000 0.243 93 M C 1.298 177.620 176.300 0.037 0.000 1.130 93 M CA 0.982 56.248 55.300 -0.057 0.000 1.055 93 M CB 0.017 32.619 32.600 0.002 0.000 1.457 93 M HN 0.230 nan 8.290 nan 0.000 0.488 94 G N 1.483 110.345 108.800 0.103 0.000 2.171 94 G HA2 -0.241 3.771 3.960 0.087 0.000 0.238 94 G HA3 -0.241 3.771 3.960 0.087 0.000 0.238 94 G C -0.762 174.259 174.900 0.202 0.000 1.039 94 G CA 0.158 45.329 45.100 0.117 0.000 0.759 94 G HN 0.765 nan 8.290 nan 0.000 0.501 95 W N 1.828 123.156 121.300 0.046 0.000 2.362 95 W HA 0.505 5.207 4.660 0.069 0.000 0.316 95 W C 0.090 176.707 176.519 0.163 0.000 1.024 95 W CA -0.164 57.218 57.345 0.061 0.000 1.270 95 W CB 1.195 30.661 29.460 0.011 0.000 1.273 95 W HN 0.283 nan 8.180 nan 0.000 0.424 96 D N 3.441 123.696 120.400 -0.240 0.000 2.340 96 D HA 0.089 4.781 4.640 0.087 0.000 0.217 96 D C 0.392 176.544 176.300 -0.248 0.000 1.081 96 D CA 0.120 54.038 54.000 -0.136 0.000 0.842 96 D CB 0.357 41.073 40.800 -0.141 0.000 0.934 96 D HN 0.188 nan 8.370 nan 0.000 0.511 97 R N 0.051 120.186 120.500 -0.608 0.000 2.602 97 R HA 0.508 4.900 4.340 0.087 0.000 0.237 97 R C -2.440 174.018 176.300 0.263 0.000 1.219 97 R CA -2.085 53.831 56.100 -0.307 0.000 1.121 97 R CB 0.162 30.125 30.300 -0.563 0.000 1.408 97 R HN -0.042 nan 8.270 nan 0.000 0.559 98 P HA 0.025 nan 4.420 nan 0.000 0.267 98 P C -0.830 176.736 177.300 0.443 0.000 1.200 98 P CA 0.718 64.026 63.100 0.347 0.000 0.772 98 P CB 0.443 32.259 31.700 0.193 0.000 0.855 99 I N 2.392 123.139 120.570 0.294 0.000 2.569 99 I HA 0.348 4.570 4.170 0.087 0.000 0.290 99 I C -0.467 175.639 176.117 -0.018 0.000 1.088 99 I CA -0.871 60.472 61.300 0.071 0.000 1.047 99 I CB 1.938 39.898 38.000 -0.068 0.000 1.237 99 I HN 0.170 nan 8.210 nan 0.000 0.421 100 L N 6.523 127.673 121.223 -0.121 0.000 2.295 100 L HA 0.640 5.032 4.340 0.087 0.000 0.285 100 L C -0.168 176.616 176.870 -0.143 0.000 1.035 100 L CA -0.039 54.689 54.840 -0.186 0.000 0.806 100 L CB 1.574 43.438 42.059 -0.326 0.000 1.214 100 L HN 0.709 nan 8.230 nan 0.000 0.426 101 T N -0.272 114.219 114.554 -0.104 0.000 2.823 101 T HA 0.511 4.913 4.350 0.087 0.000 0.279 101 T C -0.557 174.108 174.700 -0.059 0.000 0.998 101 T CA -0.987 61.075 62.100 -0.063 0.000 0.994 101 T CB 1.409 70.265 68.868 -0.020 0.000 0.960 101 T HN 0.618 nan 8.240 nan 0.000 0.448 102 D N 1.270 121.636 120.400 -0.057 0.000 2.377 102 D HA 0.238 4.930 4.640 0.087 0.000 0.245 102 D C 1.404 177.680 176.300 -0.039 0.000 1.196 102 D CA -0.516 53.425 54.000 -0.099 0.000 0.962 102 D CB 0.513 41.215 40.800 -0.164 0.000 1.127 102 D HN 0.498 nan 8.370 nan 0.000 0.471 103 S N -1.145 114.525 115.700 -0.049 0.000 2.489 103 S HA 0.158 4.680 4.470 0.087 0.000 0.228 103 S C 1.884 176.614 174.600 0.217 0.000 0.995 103 S CA 0.376 58.657 58.200 0.134 0.000 0.934 103 S CB -0.753 62.587 63.200 0.233 0.000 0.771 103 S HN 1.295 nan 8.310 nan 0.000 0.522 104 G N 0.361 109.229 108.800 0.113 0.000 2.199 104 G HA2 -0.233 3.779 3.960 0.087 0.000 0.254 104 G HA3 -0.233 3.779 3.960 0.087 0.000 0.254 104 G C 0.964 175.992 174.900 0.213 0.000 0.982 104 G CA 0.199 45.407 45.100 0.180 0.000 0.632 104 G HN 1.010 nan 8.290 nan 0.000 0.529 105 G N -0.504 108.464 108.800 0.280 0.000 2.448 105 G HA2 0.126 4.138 3.960 0.087 0.000 0.218 105 G HA3 0.126 4.138 3.960 0.087 0.000 0.218 105 G C 1.377 176.348 174.900 0.118 0.000 1.135 105 G CA 1.617 46.852 45.100 0.224 0.000 0.784 105 G HN 0.454 nan 8.290 nan 0.000 0.543 106 Y N 0.974 121.178 120.300 -0.159 0.000 2.089 106 Y HA -0.085 4.518 4.550 0.087 0.000 0.282 106 Y C 3.073 178.814 175.900 -0.265 0.000 1.139 106 Y CA 1.076 59.069 58.100 -0.177 0.000 1.123 106 Y CB -0.927 37.456 38.460 -0.129 0.000 0.980 106 Y HN 0.258 nan 8.280 nan 0.000 0.493 107 Q N -0.494 119.202 119.800 -0.174 0.000 2.364 107 Q HA -0.114 4.278 4.340 0.087 0.000 0.209 107 Q C 2.251 177.635 176.000 -1.026 0.000 0.977 107 Q CA 1.211 56.680 55.803 -0.556 0.000 0.885 107 Q CB -0.265 28.089 28.738 -0.641 0.000 0.941 107 Q HN 0.321 nan 8.270 nan 0.000 0.464 108 V N 0.491 119.918 119.914 -0.811 0.000 2.358 108 V HA -0.187 3.985 4.120 0.087 0.000 0.246 108 V C 1.755 177.611 176.094 -0.398 0.000 1.047 108 V CA 1.212 63.074 62.300 -0.730 0.000 1.035 108 V CB -0.196 31.281 31.823 -0.577 0.000 0.658 108 V HN 0.445 nan 8.190 nan 0.000 0.452 109 M N -0.461 118.980 119.600 -0.267 0.000 2.686 109 M HA 0.159 4.691 4.480 0.087 0.000 0.216 109 M C 1.008 177.221 176.300 -0.146 0.000 1.221 109 M CA 0.568 55.774 55.300 -0.157 0.000 0.992 109 M CB -0.229 32.294 32.600 -0.129 0.000 1.739 109 M HN 0.366 nan 8.290 nan 0.000 0.461 110 S N -1.246 114.337 115.700 -0.195 0.000 2.490 110 S HA 0.200 4.722 4.470 0.087 0.000 0.280 110 S C 0.980 175.511 174.600 -0.115 0.000 1.048 110 S CA -0.238 57.881 58.200 -0.135 0.000 1.263 110 S CB 0.700 63.825 63.200 -0.125 0.000 1.053 110 S HN 0.326 nan 8.310 nan 0.000 0.538 111 L N 1.936 123.037 121.223 -0.202 0.000 2.858 111 L HA 0.449 4.841 4.340 0.087 0.000 0.251 111 L C 0.931 177.860 176.870 0.099 0.000 1.149 111 L CA 0.236 55.042 54.840 -0.056 0.000 0.955 111 L CB 0.467 42.492 42.059 -0.057 0.000 1.289 111 L HN 0.306 nan 8.230 nan 0.000 0.542 112 S N -2.362 113.386 115.700 0.079 0.000 2.776 112 S HA 0.848 5.370 4.470 0.087 0.000 0.306 112 S C 0.103 174.795 174.600 0.153 0.000 1.114 112 S CA -0.496 57.847 58.200 0.239 0.000 0.973 112 S CB 2.003 65.465 63.200 0.436 0.000 1.250 112 S HN -0.026 nan 8.310 nan 0.000 0.549 113 S N -0.774 115.038 115.700 0.186 0.000 2.685 113 S HA 0.603 5.125 4.470 0.087 0.000 0.282 113 S C -0.538 174.143 174.600 0.135 0.000 1.159 113 S CA -0.947 57.328 58.200 0.124 0.000 0.833 113 S CB 0.712 63.969 63.200 0.095 0.000 1.151 113 S HN 0.949 nan 8.310 nan 0.000 0.485 114 L N 0.772 122.052 121.223 0.095 0.000 3.829 114 L HA -0.187 4.205 4.340 0.087 0.000 0.440 114 L C 0.648 177.588 176.870 0.117 0.000 1.192 114 L CA 0.415 55.308 54.840 0.087 0.000 0.848 114 L CB -2.302 39.800 42.059 0.073 0.000 1.744 114 L HN 0.883 nan 8.230 nan 0.000 0.920 115 T N -1.986 112.644 114.554 0.126 0.000 2.916 115 T HA 0.328 4.730 4.350 0.087 0.000 0.303 115 T C 0.053 174.825 174.700 0.120 0.000 1.025 115 T CA -0.485 61.705 62.100 0.150 0.000 1.142 115 T CB 2.100 71.032 68.868 0.106 0.000 0.947 115 T HN 0.314 nan 8.240 nan 0.000 0.544 116 K N 2.797 123.282 120.400 0.141 0.000 2.559 116 K HA 0.228 4.600 4.320 0.087 0.000 0.249 116 K C -0.491 176.193 176.600 0.139 0.000 0.958 116 K CA -0.482 55.875 56.287 0.117 0.000 0.901 116 K CB 1.130 33.691 32.500 0.101 0.000 1.124 116 K HN 0.726 nan 8.250 nan 0.000 0.437 117 Q N 1.704 121.583 119.800 0.133 0.000 2.230 117 Q HA 0.365 4.757 4.340 0.087 0.000 0.253 117 Q C -0.534 175.568 176.000 0.170 0.000 0.919 117 Q CA -0.578 55.331 55.803 0.176 0.000 0.908 117 Q CB 1.915 30.748 28.738 0.159 0.000 1.245 117 Q HN 0.750 nan 8.270 nan 0.000 0.437 118 S N -0.187 115.654 115.700 0.235 0.000 2.705 118 S HA 0.218 4.740 4.470 0.087 0.000 0.280 118 S C 0.378 175.182 174.600 0.341 0.000 1.174 118 S CA -0.783 57.544 58.200 0.212 0.000 0.823 118 S CB 1.301 64.596 63.200 0.158 0.000 1.162 118 S HN 0.644 nan 8.310 nan 0.000 0.487 119 E N 0.494 120.861 120.200 0.279 0.000 2.268 119 E HA -0.065 4.337 4.350 0.087 0.000 0.195 119 E C 1.558 178.446 176.600 0.481 0.000 0.995 119 E CA 1.625 58.253 56.400 0.381 0.000 0.836 119 E CB -0.147 29.687 29.700 0.223 0.000 0.763 119 E HN 0.663 nan 8.360 nan 0.000 0.491 120 E N -0.665 119.695 120.200 0.267 0.000 2.158 120 E HA 0.114 4.516 4.350 0.087 0.000 0.191 120 E C 0.734 177.321 176.600 -0.022 0.000 0.982 120 E CA 1.054 57.524 56.400 0.117 0.000 0.823 120 E CB 0.167 29.907 29.700 0.065 0.000 0.766 120 E HN 0.274 nan 8.360 nan 0.000 0.468 121 G N -1.596 107.256 108.800 0.086 0.000 2.439 121 G HA2 0.161 4.173 3.960 0.087 0.000 0.186 121 G HA3 0.161 4.173 3.960 0.087 0.000 0.186 121 G C -1.573 173.434 174.900 0.178 0.000 1.260 121 G CA -0.324 44.730 45.100 -0.078 0.000 1.020 121 G HN 0.417 nan 8.290 nan 0.000 0.470 122 V N 0.465 120.469 119.914 0.151 0.000 2.760 122 V HA 0.797 4.969 4.120 0.087 0.000 0.309 122 V C -0.515 175.736 176.094 0.261 0.000 1.077 122 V CA 0.189 62.625 62.300 0.227 0.000 0.910 122 V CB 1.852 33.831 31.823 0.261 0.000 1.008 122 V HN 1.145 nan 8.190 nan 0.000 0.424 123 T N 7.575 122.287 114.554 0.264 0.000 2.895 123 T HA 0.865 5.267 4.350 0.087 0.000 0.283 123 T C -0.817 174.137 174.700 0.423 0.000 1.014 123 T CA -0.094 62.179 62.100 0.288 0.000 1.037 123 T CB 1.220 70.168 68.868 0.135 0.000 1.006 123 T HN 0.877 nan 8.240 nan 0.000 0.468 135 L N 4.539 125.818 121.223 0.094 0.000 2.283 135 L HA 0.860 5.252 4.340 0.087 0.000 0.287 135 L C -0.276 176.327 176.870 -0.445 0.000 1.073 135 L CA 0.640 55.418 54.840 -0.103 0.000 0.822 135 L CB 0.621 42.705 42.059 0.042 0.000 1.186 135 L HN 0.848 nan 8.230 nan 0.000 0.436 136 S N 4.218 119.567 115.700 -0.585 0.000 2.726 136 S HA 0.697 5.219 4.470 0.087 0.000 0.308 136 S C -2.187 171.821 174.600 -0.987 0.000 1.115 136 S CA -1.347 56.401 58.200 -0.753 0.000 0.965 136 S CB 1.474 64.435 63.200 -0.399 0.000 1.145 136 S HN 0.408 nan 8.310 nan 0.000 0.532 137 P HA -0.084 nan 4.420 nan 0.000 0.215 137 P C 0.968 178.118 177.300 -0.251 0.000 1.157 137 P CA 1.409 64.252 63.100 -0.428 0.000 0.874 137 P CB -0.021 31.549 31.700 -0.216 0.000 0.790 138 E N -0.953 119.120 120.200 -0.212 0.000 2.058 138 E HA -0.208 4.194 4.350 0.087 0.000 0.194 138 E C 2.143 178.670 176.600 -0.121 0.000 0.997 138 E CA 1.142 57.472 56.400 -0.116 0.000 0.801 138 E CB -0.590 29.054 29.700 -0.094 0.000 0.746 138 E HN 0.007 nan 8.360 nan 0.000 0.450 139 R N 0.414 120.802 120.500 -0.186 0.000 2.092 139 R HA -0.007 4.385 4.340 0.087 0.000 0.231 139 R C 2.260 178.481 176.300 -0.132 0.000 1.119 139 R CA 1.674 57.686 56.100 -0.146 0.000 0.970 139 R CB -0.888 29.314 30.300 -0.164 0.000 0.864 139 R HN 0.153 nan 8.270 nan 0.000 0.440 140 S N -0.193 115.372 115.700 -0.226 0.000 2.356 140 S HA -0.059 4.463 4.470 0.087 0.000 0.223 140 S C 1.857 176.459 174.600 0.004 0.000 1.032 140 S CA 1.305 59.433 58.200 -0.120 0.000 1.005 140 S CB -0.236 62.870 63.200 -0.157 0.000 0.867 140 S HN 0.323 nan 8.310 nan 0.000 0.449 141 I N 1.955 122.536 120.570 0.018 0.000 2.226 141 I HA -0.131 4.091 4.170 0.087 0.000 0.245 141 I C 2.596 178.769 176.117 0.093 0.000 1.100 141 I CA 1.649 63.007 61.300 0.096 0.000 1.374 141 I CB -1.603 36.469 38.000 0.119 0.000 1.057 141 I HN 0.570 nan 8.210 nan 0.000 0.413 142 E N 1.292 121.520 120.200 0.046 0.000 2.077 142 E HA -0.203 4.199 4.350 0.087 0.000 0.193 142 E C 2.406 179.055 176.600 0.082 0.000 0.989 142 E CA 1.121 57.565 56.400 0.073 0.000 0.800 142 E CB -0.009 29.706 29.700 0.024 0.000 0.746 142 E HN 0.446 nan 8.360 nan 0.000 0.452 143 I N 0.893 121.484 120.570 0.035 0.000 2.179 143 I HA -0.303 3.919 4.170 0.087 0.000 0.242 143 I C 2.586 178.724 176.117 0.035 0.000 1.088 143 I CA 1.337 62.648 61.300 0.018 0.000 1.357 143 I CB -0.302 37.704 38.000 0.009 0.000 1.051 143 I HN 0.217 nan 8.210 nan 0.000 0.409 144 Q N -0.497 119.344 119.800 0.068 0.000 2.170 144 Q HA -0.278 4.114 4.340 0.087 0.000 0.203 144 Q C 2.116 178.179 176.000 0.106 0.000 0.976 144 Q CA 1.682 57.533 55.803 0.081 0.000 0.858 144 Q CB -0.336 28.465 28.738 0.104 0.000 0.907 144 Q HN 0.559 nan 8.270 nan 0.000 0.433 145 H N 0.956 120.040 119.070 0.023 0.000 2.326 145 H HA -0.053 4.555 4.556 0.087 0.000 0.301 145 H C 1.763 177.090 175.328 -0.002 0.000 1.081 145 H CA 1.448 57.498 56.048 0.002 0.000 1.334 145 H CB -0.225 29.520 29.762 -0.029 0.000 1.385 145 H HN 0.118 nan 8.280 nan 0.000 0.504 146 L N -0.152 120.965 121.223 -0.176 0.000 2.131 146 L HA -0.151 4.241 4.340 0.087 0.000 0.210 146 L C 2.404 179.181 176.870 -0.155 0.000 1.092 146 L CA 0.925 55.629 54.840 -0.228 0.000 0.759 146 L CB -0.344 41.647 42.059 -0.115 0.000 0.903 146 L HN 0.312 nan 8.230 nan 0.000 0.435 147 L N -0.435 120.740 121.223 -0.080 0.000 2.291 147 L HA 0.015 4.407 4.340 0.087 0.000 0.214 147 L C 1.418 178.290 176.870 0.003 0.000 1.120 147 L CA 0.723 55.536 54.840 -0.044 0.000 0.799 147 L CB -0.608 41.439 42.059 -0.020 0.000 0.925 147 L HN 0.519 nan 8.230 nan 0.000 0.446 148 G N 0.393 109.196 108.800 0.004 0.000 2.171 148 G HA2 -0.270 3.742 3.960 0.087 0.000 0.238 148 G HA3 -0.270 3.742 3.960 0.087 0.000 0.238 148 G C 0.304 175.327 174.900 0.206 0.000 1.039 148 G CA 0.353 45.507 45.100 0.091 0.000 0.759 148 G HN 0.313 nan 8.290 nan 0.000 0.501 149 S N -0.573 115.212 115.700 0.142 0.000 2.560 149 S HA 0.297 4.819 4.470 0.087 0.000 0.284 149 S C 1.390 176.097 174.600 0.179 0.000 1.327 149 S CA 0.685 58.972 58.200 0.144 0.000 1.055 149 S CB 0.491 63.744 63.200 0.088 0.000 0.868 149 S HN 0.297 nan 8.310 nan 0.000 0.506 150 D N 2.932 123.438 120.400 0.177 0.000 2.201 150 D HA 0.144 4.836 4.640 0.087 0.000 0.209 150 D C 0.205 176.563 176.300 0.096 0.000 0.961 150 D CA 0.947 55.041 54.000 0.156 0.000 0.861 150 D CB 0.220 41.124 40.800 0.174 0.000 0.997 150 D HN 0.500 nan 8.370 nan 0.000 0.486 151 I N 2.203 122.764 120.570 -0.014 0.000 2.390 151 I HA 0.149 4.371 4.170 0.087 0.000 0.283 151 I C -0.561 175.451 176.117 -0.174 0.000 1.016 151 I CA -0.558 60.624 61.300 -0.196 0.000 1.151 151 I CB 2.380 40.093 38.000 -0.479 0.000 1.293 151 I HN -0.352 nan 8.210 nan 0.000 0.458 152 V N 6.823 126.690 119.914 -0.078 0.000 2.465 152 V HA 0.357 4.529 4.120 0.087 0.000 0.279 152 V C 0.428 176.478 176.094 -0.072 0.000 1.045 152 V CA -0.468 61.833 62.300 0.000 0.000 0.938 152 V CB 1.451 33.392 31.823 0.198 0.000 0.986 152 V HN 0.568 nan 8.190 nan 0.000 0.467 153 M N 3.756 123.332 119.600 -0.040 0.000 2.264 153 M HA 0.511 5.043 4.480 0.087 0.000 0.352 153 M C 0.344 176.657 176.300 0.022 0.000 1.173 153 M CA -0.506 54.775 55.300 -0.032 0.000 1.075 153 M CB 1.207 33.779 32.600 -0.046 0.000 1.621 153 M HN 0.738 nan 8.290 nan 0.000 0.457 154 A N 3.131 125.947 122.820 -0.008 0.000 2.466 154 A HA 0.267 4.639 4.320 0.087 0.000 0.238 154 A C -0.523 177.151 177.584 0.150 0.000 1.074 154 A CA -0.196 51.885 52.037 0.073 0.000 0.774 154 A CB -0.011 18.974 19.000 -0.025 0.000 1.015 154 A HN 0.732 nan 8.150 nan 0.000 0.498 155 F N 2.604 122.607 119.950 0.087 0.000 2.420 155 F HA 0.461 5.040 4.527 0.086 0.000 0.352 155 F C 0.321 176.304 175.800 0.304 0.000 1.108 155 F CA 0.121 58.194 58.000 0.120 0.000 1.162 155 F CB 0.598 39.600 39.000 0.004 0.000 1.118 155 F HN 0.813 nan 8.300 nan 0.000 0.510 156 D N 3.420 123.691 120.400 -0.214 0.000 3.009 156 D HA 0.230 4.922 4.640 0.087 0.000 0.318 156 D C -1.637 174.610 176.300 -0.088 0.000 1.273 156 D CA -0.651 53.385 54.000 0.061 0.000 1.001 156 D CB 1.012 41.860 40.800 0.079 0.000 1.411 156 D HN 0.538 nan 8.370 nan 0.000 0.577 157 E N -0.530 119.610 120.200 -0.101 0.000 2.216 157 E HA 0.389 4.791 4.350 0.087 0.000 0.260 157 E C -1.290 175.124 176.600 -0.310 0.000 0.880 157 E CA -0.840 55.434 56.400 -0.210 0.000 0.765 157 E CB 1.458 31.029 29.700 -0.216 0.000 1.174 157 E HN 0.520 nan 8.360 nan 0.000 0.417 158 C N 5.615 124.556 119.300 -0.598 0.000 2.428 158 C HA 0.233 4.745 4.460 0.087 0.000 0.362 158 C C 0.389 175.184 174.990 -0.325 0.000 1.114 158 C CA -0.190 58.461 59.018 -0.611 0.000 1.473 158 C CB -1.791 25.267 27.740 -1.137 0.000 2.003 158 C HN 0.690 nan 8.230 nan 0.000 0.526 159 T N 9.091 123.529 114.554 -0.193 0.000 2.849 159 T HA 0.065 4.467 4.350 0.087 0.000 0.289 159 T C -1.994 172.666 174.700 -0.067 0.000 1.010 159 T CA 0.130 62.166 62.100 -0.105 0.000 1.161 159 T CB 0.066 68.907 68.868 -0.045 0.000 0.989 159 T HN 0.609 nan 8.240 nan 0.000 0.523 160 P HA 0.181 nan 4.420 nan 0.000 0.269 160 P C -1.163 176.173 177.300 0.061 0.000 1.215 160 P CA -0.349 62.744 63.100 -0.011 0.000 0.780 160 P CB 0.340 32.022 31.700 -0.030 0.000 0.898 161 Y N 2.896 123.163 120.300 -0.054 0.000 2.376 161 Y HA 0.485 5.087 4.550 0.087 0.000 0.340 161 Y C -2.156 173.725 175.900 -0.031 0.000 0.965 161 Y CA -2.255 55.818 58.100 -0.046 0.000 1.078 161 Y CB 0.929 39.355 38.460 -0.057 0.000 1.193 161 Y HN 0.360 nan 8.280 nan 0.000 0.452 162 P HA 0.690 nan 4.420 nan 0.000 0.278 162 P C -1.775 175.386 177.300 -0.232 0.000 1.266 162 P CA -0.593 62.028 63.100 -0.797 0.000 0.807 162 P CB 1.667 32.910 31.700 -0.761 0.000 1.094 163 A N 0.324 123.099 122.820 -0.075 0.000 2.449 163 A HA 0.602 4.974 4.320 0.087 0.000 0.302 163 A C 0.140 177.830 177.584 0.178 0.000 1.048 163 A CA -0.532 51.539 52.037 0.057 0.000 0.708 163 A CB 0.987 20.049 19.000 0.104 0.000 1.274 163 A HN 0.682 nan 8.150 nan 0.000 0.410 164 T N 0.341 114.947 114.554 0.087 0.000 2.860 164 T HA 0.390 4.792 4.350 0.087 0.000 0.299 164 T C -1.847 172.841 174.700 -0.019 0.000 1.045 164 T CA -0.954 61.172 62.100 0.044 0.000 1.071 164 T CB 0.596 69.450 68.868 -0.022 0.000 0.985 164 T HN 0.256 nan 8.240 nan 0.000 0.537 165 P HA -0.127 nan 4.420 nan 0.000 0.216 165 P C 1.959 179.109 177.300 -0.249 0.000 1.150 165 P CA 1.165 63.912 63.100 -0.589 0.000 0.837 165 P CB -0.075 31.208 31.700 -0.694 0.000 0.786 166 S N -0.853 114.751 115.700 -0.160 0.000 2.356 166 S HA -0.178 4.344 4.470 0.087 0.000 0.223 166 S C 2.060 176.621 174.600 -0.065 0.000 1.032 166 S CA 1.188 59.328 58.200 -0.100 0.000 1.005 166 S CB -0.519 62.634 63.200 -0.079 0.000 0.867 166 S HN -0.030 nan 8.310 nan 0.000 0.449 167 R N 0.343 120.818 120.500 -0.043 0.000 2.092 167 R HA 0.048 4.440 4.340 0.087 0.000 0.231 167 R C 2.646 178.942 176.300 -0.006 0.000 1.119 167 R CA 1.169 57.254 56.100 -0.025 0.000 0.970 167 R CB -0.567 29.725 30.300 -0.013 0.000 0.864 167 R HN 0.529 nan 8.270 nan 0.000 0.440 168 A N 0.963 123.808 122.820 0.043 0.000 1.933 168 A HA -0.116 4.256 4.320 0.087 0.000 0.218 168 A C 2.305 179.913 177.584 0.040 0.000 1.175 168 A CA 1.693 53.790 52.037 0.100 0.000 0.628 168 A CB -0.539 18.655 19.000 0.323 0.000 0.814 168 A HN 0.409 nan 8.150 nan 0.000 0.444 169 A N -0.644 122.174 122.820 -0.003 0.000 1.898 169 A HA -0.040 4.332 4.320 0.087 0.000 0.216 169 A C 2.448 180.004 177.584 -0.047 0.000 1.181 169 A CA 1.979 54.000 52.037 -0.028 0.000 0.620 169 A CB -0.869 18.096 19.000 -0.058 0.000 0.819 169 A HN 0.440 nan 8.150 nan 0.000 0.442 170 S N 0.241 115.906 115.700 -0.057 0.000 2.359 170 S HA -0.134 4.388 4.470 0.087 0.000 0.224 170 S C 2.322 176.854 174.600 -0.114 0.000 1.035 170 S CA 1.602 59.756 58.200 -0.077 0.000 1.018 170 S CB -0.334 62.825 63.200 -0.069 0.000 0.876 170 S HN 0.638 nan 8.310 nan 0.000 0.448 171 S N 1.441 117.077 115.700 -0.108 0.000 2.356 171 S HA -0.025 4.497 4.470 0.087 0.000 0.223 171 S C 1.902 176.404 174.600 -0.164 0.000 1.032 171 S CA 1.086 59.193 58.200 -0.156 0.000 1.005 171 S CB -0.346 62.783 63.200 -0.118 0.000 0.867 171 S HN 0.407 nan 8.310 nan 0.000 0.449 172 M N 1.885 121.429 119.600 -0.094 0.000 2.086 172 M HA -0.117 4.415 4.480 0.087 0.000 0.261 172 M C 1.739 177.988 176.300 -0.085 0.000 1.067 172 M CA 1.728 56.987 55.300 -0.068 0.000 1.116 172 M CB -0.883 31.709 32.600 -0.014 0.000 1.348 172 M HN 0.287 nan 8.290 nan 0.000 0.407 173 E N -0.323 119.826 120.200 -0.086 0.000 2.077 173 E HA -0.248 4.154 4.350 0.087 0.000 0.193 173 E C 2.133 178.650 176.600 -0.138 0.000 0.989 173 E CA 1.561 57.912 56.400 -0.081 0.000 0.800 173 E CB -0.288 29.372 29.700 -0.067 0.000 0.746 173 E HN 0.533 nan 8.360 nan 0.000 0.452 174 R N 0.665 121.019 120.500 -0.243 0.000 2.075 174 R HA -0.097 4.295 4.340 0.087 0.000 0.232 174 R C 2.252 178.212 176.300 -0.567 0.000 1.126 174 R CA 1.688 57.512 56.100 -0.459 0.000 0.963 174 R CB -0.108 29.817 30.300 -0.624 0.000 0.858 174 R HN -0.032 nan 8.270 nan 0.000 0.435 175 S N 0.440 115.905 115.700 -0.391 0.000 2.399 175 S HA -0.107 4.415 4.470 0.087 0.000 0.231 175 S C 1.813 176.420 174.600 0.011 0.000 1.022 175 S CA 1.302 59.395 58.200 -0.178 0.000 0.983 175 S CB -0.064 63.071 63.200 -0.107 0.000 0.803 175 S HN 0.305 nan 8.310 nan 0.000 0.480 176 M N 1.053 120.649 119.600 -0.007 0.000 2.254 176 M HA 0.056 4.588 4.480 0.087 0.000 0.265 176 M C 1.994 178.368 176.300 0.124 0.000 1.066 176 M CA 1.207 56.552 55.300 0.075 0.000 1.123 176 M CB -1.120 31.511 32.600 0.052 0.000 1.388 176 M HN 0.255 nan 8.290 nan 0.000 0.425 177 R N -1.195 119.353 120.500 0.080 0.000 2.092 177 R HA -0.165 4.227 4.340 0.087 0.000 0.231 177 R C 2.038 178.542 176.300 0.340 0.000 1.119 177 R CA 1.198 57.392 56.100 0.157 0.000 0.970 177 R CB -0.240 30.122 30.300 0.102 0.000 0.864 177 R HN 0.374 nan 8.270 nan 0.000 0.440 178 W N 0.578 121.949 121.300 0.118 0.000 2.425 178 W HA 0.083 4.795 4.660 0.086 0.000 0.277 178 W C 2.273 178.896 176.519 0.173 0.000 1.231 178 W CA 0.358 57.798 57.345 0.159 0.000 1.248 178 W CB -0.733 28.843 29.460 0.193 0.000 1.117 178 W HN 0.164 nan 8.180 nan 0.000 0.568 179 A N 0.323 123.370 122.820 0.379 0.000 1.898 179 A HA -0.201 4.171 4.320 0.087 0.000 0.216 179 A C 2.045 179.859 177.584 0.383 0.000 1.181 179 A CA 2.143 54.395 52.037 0.359 0.000 0.620 179 A CB -0.578 18.612 19.000 0.316 0.000 0.819 179 A HN 0.094 nan 8.150 nan 0.000 0.442 180 K N 0.231 120.800 120.400 0.282 0.000 2.057 180 K HA -0.057 4.315 4.320 0.087 0.000 0.206 180 K C 2.041 178.742 176.600 0.167 0.000 1.050 180 K CA 1.623 58.022 56.287 0.187 0.000 0.935 180 K CB -0.343 32.244 32.500 0.145 0.000 0.715 180 K HN 0.446 nan 8.250 nan 0.000 0.439 181 R N -0.240 120.379 120.500 0.199 0.000 2.092 181 R HA 0.005 4.397 4.340 0.087 0.000 0.231 181 R C 2.381 178.766 176.300 0.142 0.000 1.119 181 R CA 1.504 57.694 56.100 0.149 0.000 0.970 181 R CB -0.239 30.147 30.300 0.142 0.000 0.864 181 R HN 0.134 nan 8.270 nan 0.000 0.440 182 S N 0.527 116.346 115.700 0.199 0.000 2.356 182 S HA -0.156 4.366 4.470 0.087 0.000 0.223 182 S C 1.799 176.524 174.600 0.208 0.000 1.032 182 S CA 1.362 59.684 58.200 0.204 0.000 1.005 182 S CB -0.199 63.153 63.200 0.253 0.000 0.867 182 S HN 0.193 nan 8.310 nan 0.000 0.449 183 R N 2.200 122.818 120.500 0.196 0.000 2.080 183 R HA -0.110 4.282 4.340 0.087 0.000 0.236 183 R C 1.371 177.738 176.300 0.112 0.000 1.137 183 R CA 2.073 58.224 56.100 0.084 0.000 0.943 183 R CB -1.149 29.090 30.300 -0.102 0.000 0.846 183 R HN 0.236 nan 8.270 nan 0.000 0.431 184 D N 0.133 120.586 120.400 0.089 0.000 2.117 184 D HA -0.085 4.607 4.640 0.087 0.000 0.197 184 D C 1.737 178.085 176.300 0.079 0.000 0.987 184 D CA 1.775 55.818 54.000 0.071 0.000 0.829 184 D CB -0.474 40.358 40.800 0.053 0.000 0.961 184 D HN 0.401 nan 8.370 nan 0.000 0.460 185 A N 0.431 123.307 122.820 0.093 0.000 1.902 185 A HA -0.166 4.206 4.320 0.087 0.000 0.217 185 A C 2.123 179.756 177.584 0.081 0.000 1.181 185 A CA 1.035 53.111 52.037 0.065 0.000 0.623 185 A CB -1.027 18.008 19.000 0.058 0.000 0.818 185 A HN 0.255 nan 8.150 nan 0.000 0.443 186 F N 1.269 121.212 119.950 -0.011 0.000 2.102 186 F HA -0.188 4.391 4.527 0.086 0.000 0.298 186 F C 1.660 177.433 175.800 -0.046 0.000 1.105 186 F CA 2.166 60.152 58.000 -0.023 0.000 1.239 186 F CB -0.118 38.894 39.000 0.019 0.000 0.991 186 F HN 0.234 nan 8.300 nan 0.000 0.474 187 D N -0.368 120.156 120.400 0.208 0.000 2.219 187 D HA -0.128 4.564 4.640 0.087 0.000 0.205 187 D C 2.451 178.730 176.300 -0.036 0.000 0.970 187 D CA 1.398 55.446 54.000 0.080 0.000 0.851 187 D CB -0.451 40.410 40.800 0.102 0.000 0.943 187 D HN 0.424 nan 8.370 nan 0.000 0.488 188 S N -0.291 115.383 115.700 -0.042 0.000 2.515 188 S HA -0.065 4.457 4.470 0.087 0.000 0.231 188 S C 1.206 175.736 174.600 -0.116 0.000 0.987 188 S CA -0.032 58.131 58.200 -0.061 0.000 0.936 188 S CB 0.085 63.261 63.200 -0.040 0.000 0.766 188 S HN -0.021 nan 8.310 nan 0.000 0.528 189 R N 1.492 121.872 120.500 -0.199 0.000 2.278 189 R HA 0.388 4.780 4.340 0.087 0.000 0.322 189 R C 0.870 176.995 176.300 -0.292 0.000 1.058 189 R CA -0.386 55.544 56.100 -0.282 0.000 0.991 189 R CB 0.322 30.349 30.300 -0.455 0.000 1.140 189 R HN 0.194 nan 8.270 nan 0.000 0.518 190 K N 1.162 121.453 120.400 -0.182 0.000 2.032 190 K HA -0.293 4.079 4.320 0.087 0.000 0.218 190 K C 1.418 177.930 176.600 -0.147 0.000 1.054 190 K CA 1.775 57.980 56.287 -0.136 0.000 0.941 190 K CB 0.005 32.456 32.500 -0.080 0.000 0.720 190 K HN 0.524 nan 8.250 nan 0.000 0.449 191 E N 1.303 121.424 120.200 -0.131 0.000 2.085 191 E HA -0.266 4.136 4.350 0.087 0.000 0.194 191 E C 2.084 178.616 176.600 -0.113 0.000 0.994 191 E CA 1.555 57.911 56.400 -0.072 0.000 0.801 191 E CB 0.045 29.758 29.700 0.021 0.000 0.743 191 E HN 0.401 nan 8.360 nan 0.000 0.453 192 Q N -0.397 119.231 119.800 -0.286 0.000 2.049 192 Q HA -0.051 4.341 4.340 0.087 0.000 0.198 192 Q C 2.064 177.722 176.000 -0.570 0.000 0.971 192 Q CA 1.352 56.917 55.803 -0.397 0.000 0.833 192 Q CB -0.157 28.184 28.738 -0.662 0.000 0.896 192 Q HN 0.256 nan 8.270 nan 0.000 0.434 193 A N 0.692 123.133 122.820 -0.633 0.000 2.019 193 A HA -0.193 4.179 4.320 0.087 0.000 0.219 193 A C 1.600 179.143 177.584 -0.068 0.000 1.164 193 A CA 1.615 53.400 52.037 -0.421 0.000 0.644 193 A CB -0.335 18.531 19.000 -0.224 0.000 0.805 193 A HN 0.538 nan 8.150 nan 0.000 0.449 194 E N -0.871 119.285 120.200 -0.073 0.000 2.400 194 E HA 0.015 4.417 4.350 0.087 0.000 0.195 194 E C 0.855 177.478 176.600 0.039 0.000 1.012 194 E CA 0.370 56.773 56.400 0.005 0.000 0.875 194 E CB 0.091 29.786 29.700 -0.009 0.000 0.859 194 E HN 0.565 nan 8.360 nan 0.000 0.498 195 N N -0.255 118.463 118.700 0.030 0.000 2.257 195 N HA 0.143 4.935 4.740 0.087 0.000 0.200 195 N C 0.007 175.586 175.510 0.114 0.000 1.163 195 N CA 0.176 53.263 53.050 0.063 0.000 0.891 195 N CB 1.304 39.813 38.487 0.037 0.000 1.067 195 N HN -0.035 nan 8.380 nan 0.000 0.497 196 A N 0.437 123.347 122.820 0.149 0.000 2.344 196 A HA 0.888 5.260 4.320 0.087 0.000 0.307 196 A C -0.827 176.991 177.584 0.390 0.000 1.151 196 A CA -0.456 51.731 52.037 0.250 0.000 0.842 196 A CB 1.363 20.520 19.000 0.262 0.000 1.350 196 A HN 0.094 nan 8.150 nan 0.000 0.459 197 A N -0.419 122.568 122.820 0.278 0.000 2.386 197 A HA 0.777 5.149 4.320 0.087 0.000 0.308 197 A C -1.161 176.331 177.584 -0.154 0.000 1.128 197 A CA -0.519 51.541 52.037 0.037 0.000 0.789 197 A CB 1.204 20.092 19.000 -0.187 0.000 1.325 197 A HN 0.971 nan 8.150 nan 0.000 0.437 198 L N 1.259 122.247 121.223 -0.392 0.000 2.381 198 L HA 0.617 5.009 4.340 0.087 0.000 0.274 198 L C -1.827 175.090 176.870 0.078 0.000 0.988 198 L CA -0.455 54.145 54.840 -0.400 0.000 0.824 198 L CB 1.455 42.930 42.059 -0.974 0.000 1.263 198 L HN 0.682 nan 8.230 nan 0.000 0.410 199 F N 1.726 121.495 119.950 -0.302 0.000 2.469 199 F HA 0.631 5.210 4.527 0.088 0.000 0.332 199 F C 0.882 176.263 175.800 -0.698 0.000 1.103 199 F CA -1.038 56.719 58.000 -0.405 0.000 0.979 199 F CB 2.041 40.894 39.000 -0.245 0.000 1.137 199 F HN 0.374 nan 8.300 nan 0.000 0.463 200 G N 2.810 110.928 108.800 -1.138 0.000 2.437 200 G HA2 0.664 4.676 3.960 0.087 0.000 0.319 200 G HA3 0.664 4.676 3.960 0.087 0.000 0.319 200 G C -1.043 173.535 174.900 -0.538 0.000 1.158 200 G CA -0.618 43.600 45.100 -1.469 0.000 0.899 200 G HN 0.523 nan 8.290 nan 0.000 0.502 201 I N 0.517 120.900 120.570 -0.312 0.000 2.389 201 I HA 0.237 4.459 4.170 0.087 0.000 0.288 201 I C 0.168 176.254 176.117 -0.052 0.000 0.999 201 I CA -0.548 60.680 61.300 -0.120 0.000 1.129 201 I CB 2.068 40.032 38.000 -0.060 0.000 1.288 201 I HN 0.403 nan 8.210 nan 0.000 0.444 202 Q N 5.842 125.632 119.800 -0.018 0.000 2.304 202 Q HA 0.218 4.610 4.340 0.087 0.000 0.260 202 Q C -0.834 175.164 176.000 -0.004 0.000 0.965 202 Q CA -0.157 55.649 55.803 0.005 0.000 0.898 202 Q CB 1.055 29.799 28.738 0.010 0.000 1.196 202 Q HN 0.524 nan 8.270 nan 0.000 0.402 203 Q N 1.160 120.963 119.800 0.005 0.000 3.105 203 Q HA 0.572 4.964 4.340 0.087 0.000 0.280 203 Q C 0.017 176.034 176.000 0.030 0.000 1.042 203 Q CA 0.020 55.822 55.803 -0.000 0.000 0.857 203 Q CB 1.734 30.459 28.738 -0.022 0.000 1.468 203 Q HN 0.944 nan 8.270 nan 0.000 0.494 204 G N -0.329 108.497 108.800 0.044 0.000 2.173 204 G HA2 -0.158 3.854 3.960 0.087 0.000 0.142 204 G HA3 -0.158 3.854 3.960 0.087 0.000 0.142 204 G C 0.333 175.312 174.900 0.133 0.000 1.019 204 G CA 0.901 46.065 45.100 0.106 0.000 0.699 204 G HN 0.763 nan 8.290 nan 0.000 0.495 205 S N -2.222 113.509 115.700 0.052 0.000 3.938 205 S HA -0.360 4.162 4.470 0.087 0.000 0.624 205 S C 1.795 176.316 174.600 -0.132 0.000 2.186 205 S CA 3.373 61.555 58.200 -0.030 0.000 4.144 205 S CB -1.205 61.986 63.200 -0.015 0.000 0.230 205 S HN 2.011 nan 8.310 nan 0.000 0.755 206 V N -0.175 119.483 119.914 -0.426 0.000 3.444 206 V HA 0.552 4.724 4.120 0.087 0.000 0.308 206 V C 0.152 176.077 176.094 -0.283 0.000 1.371 206 V CA 0.193 62.300 62.300 -0.320 0.000 1.141 206 V CB -0.654 30.992 31.823 -0.295 0.000 1.037 206 V HN 0.460 nan 8.190 nan 0.000 0.433 207 F N 1.246 121.292 119.950 0.160 0.000 2.405 207 F HA 0.506 5.085 4.527 0.087 0.000 0.355 207 F C 1.583 177.377 175.800 -0.010 0.000 1.121 207 F CA -0.909 57.130 58.000 0.064 0.000 1.112 207 F CB 1.375 40.386 39.000 0.017 0.000 1.126 207 F HN 0.132 nan 8.300 nan 0.000 0.481 208 E N 2.972 123.085 120.200 -0.145 0.000 2.085 208 E HA -0.288 4.114 4.350 0.087 0.000 0.194 208 E C 1.943 178.434 176.600 -0.183 0.000 0.994 208 E CA 1.945 58.013 56.400 -0.554 0.000 0.801 208 E CB 0.041 29.084 29.700 -1.095 0.000 0.743 208 E HN 0.742 nan 8.360 nan 0.000 0.453 209 N N 0.643 119.290 118.700 -0.089 0.000 2.166 209 N HA -0.189 4.603 4.740 0.087 0.000 0.186 209 N C 1.821 177.333 175.510 0.003 0.000 1.019 209 N CA 1.074 54.096 53.050 -0.047 0.000 0.856 209 N CB -0.440 38.019 38.487 -0.047 0.000 0.993 209 N HN 0.194 nan 8.380 nan 0.000 0.426 210 L N 1.004 122.263 121.223 0.060 0.000 2.109 210 L HA 0.073 4.465 4.340 0.087 0.000 0.207 210 L C 2.688 179.603 176.870 0.076 0.000 1.086 210 L CA 1.103 55.989 54.840 0.077 0.000 0.760 210 L CB -0.669 41.479 42.059 0.147 0.000 0.910 210 L HN 0.097 nan 8.230 nan 0.000 0.437 211 R N -0.618 119.945 120.500 0.104 0.000 2.096 211 R HA -0.181 4.211 4.340 0.087 0.000 0.235 211 R C 2.188 178.528 176.300 0.067 0.000 1.127 211 R CA 1.140 57.307 56.100 0.111 0.000 0.968 211 R CB -0.490 29.944 30.300 0.223 0.000 0.861 211 R HN 0.382 nan 8.270 nan 0.000 0.440 212 Q N 1.150 120.974 119.800 0.039 0.000 2.046 212 Q HA -0.136 4.256 4.340 0.087 0.000 0.200 212 Q C 1.980 177.987 176.000 0.013 0.000 0.975 212 Q CA 1.711 57.523 55.803 0.015 0.000 0.836 212 Q CB -0.074 28.657 28.738 -0.012 0.000 0.896 212 Q HN 0.358 nan 8.270 nan 0.000 0.428 213 Q N -0.752 119.056 119.800 0.014 0.000 2.084 213 Q HA -0.157 4.235 4.340 0.087 0.000 0.202 213 Q C 2.220 178.236 176.000 0.027 0.000 0.978 213 Q CA 1.526 57.338 55.803 0.015 0.000 0.844 213 Q CB -0.282 28.462 28.738 0.010 0.000 0.898 213 Q HN 0.376 nan 8.270 nan 0.000 0.426 214 S N 0.068 115.788 115.700 0.034 0.000 2.356 214 S HA -0.159 4.363 4.470 0.087 0.000 0.223 214 S C 2.005 176.637 174.600 0.053 0.000 1.032 214 S CA 1.088 59.314 58.200 0.043 0.000 1.005 214 S CB -0.226 62.998 63.200 0.039 0.000 0.867 214 S HN 0.459 nan 8.310 nan 0.000 0.449 215 A N 1.593 124.432 122.820 0.031 0.000 1.908 215 A HA -0.138 4.234 4.320 0.087 0.000 0.218 215 A C 1.898 179.488 177.584 0.009 0.000 1.181 215 A CA 1.982 54.022 52.037 0.004 0.000 0.627 215 A CB -0.926 18.053 19.000 -0.034 0.000 0.818 215 A HN 0.588 nan 8.150 nan 0.000 0.445 216 D N 0.066 120.475 120.400 0.016 0.000 2.117 216 D HA -0.047 4.645 4.640 0.087 0.000 0.197 216 D C 2.251 178.584 176.300 0.055 0.000 0.987 216 D CA 1.497 55.509 54.000 0.021 0.000 0.829 216 D CB -0.490 40.319 40.800 0.014 0.000 0.961 216 D HN 0.432 nan 8.370 nan 0.000 0.460 217 A N 0.728 123.591 122.820 0.071 0.000 1.902 217 A HA -0.148 4.224 4.320 0.087 0.000 0.217 217 A C 2.142 179.829 177.584 0.171 0.000 1.181 217 A CA 0.967 53.064 52.037 0.099 0.000 0.623 217 A CB -0.572 18.482 19.000 0.090 0.000 0.818 217 A HN 0.123 nan 8.150 nan 0.000 0.443 218 L N -0.500 120.859 121.223 0.226 0.000 2.056 218 L HA -0.059 4.333 4.340 0.087 0.000 0.207 218 L C 2.956 180.115 176.870 0.481 0.000 1.078 218 L CA 1.865 56.969 54.840 0.439 0.000 0.749 218 L CB -1.136 41.182 42.059 0.432 0.000 0.901 218 L HN 0.396 nan 8.230 nan 0.000 0.433 219 A N -0.961 122.013 122.820 0.257 0.000 1.933 219 A HA -0.223 4.149 4.320 0.087 0.000 0.218 219 A C 2.275 179.933 177.584 0.122 0.000 1.175 219 A CA 1.626 53.757 52.037 0.156 0.000 0.628 219 A CB -0.464 18.528 19.000 -0.013 0.000 0.814 219 A HN 0.413 nan 8.150 nan 0.000 0.444 220 E N 0.432 120.689 120.200 0.096 0.000 2.077 220 E HA -0.134 4.268 4.350 0.087 0.000 0.193 220 E C 1.659 178.276 176.600 0.029 0.000 0.989 220 E CA 1.518 57.951 56.400 0.055 0.000 0.800 220 E CB -0.386 29.344 29.700 0.051 0.000 0.746 220 E HN 0.642 nan 8.360 nan 0.000 0.452 221 I N -0.287 120.304 120.570 0.036 0.000 2.233 221 I HA 0.022 4.244 4.170 0.087 0.000 0.243 221 I C 0.974 176.945 176.117 -0.244 0.000 1.093 221 I CA 0.809 62.051 61.300 -0.096 0.000 1.380 221 I CB -0.385 37.557 38.000 -0.095 0.000 1.067 221 I HN 0.316 nan 8.210 nan 0.000 0.413 222 G N 0.964 109.655 108.800 -0.182 0.000 3.322 222 G HA2 -0.163 3.849 3.960 0.087 0.000 0.686 222 G HA3 -0.163 3.849 3.960 0.087 0.000 0.686 222 G C -0.855 173.705 174.900 -0.567 0.000 1.015 222 G CA -0.833 44.168 45.100 -0.164 0.000 0.826 222 G HN 0.064 nan 8.290 nan 0.000 0.538 223 F N 0.465 120.339 119.950 -0.126 0.000 2.650 223 F HA 0.545 5.124 4.527 0.087 0.000 0.320 223 F C 1.030 176.559 175.800 -0.451 0.000 1.091 223 F CA -0.958 56.794 58.000 -0.414 0.000 0.962 223 F CB 1.539 40.094 39.000 -0.741 0.000 1.363 223 F HN 0.343 nan 8.300 nan 0.000 0.482 224 D N 0.255 120.463 120.400 -0.320 0.000 2.234 224 D HA 0.184 4.875 4.640 0.087 0.000 0.205 224 D C 0.626 176.507 176.300 -0.698 0.000 0.962 224 D CA 0.890 54.582 54.000 -0.513 0.000 0.855 224 D CB 0.422 40.692 40.800 -0.883 0.000 0.951 224 D HN 0.578 nan 8.370 nan 0.000 0.500 225 G N -0.760 107.323 108.800 -1.195 0.000 2.692 225 G HA2 0.487 4.499 3.960 0.087 0.000 0.291 225 G HA3 0.487 4.499 3.960 0.087 0.000 0.291 225 G C -2.006 172.027 174.900 -1.446 0.000 1.423 225 G CA -0.683 43.357 45.100 -1.767 0.000 0.843 225 G HN -0.089 nan 8.290 nan 0.000 0.486 226 Y N 0.023 119.995 120.300 -0.546 0.000 2.361 226 Y HA 0.677 5.279 4.550 0.087 0.000 0.337 226 Y C 0.548 176.398 175.900 -0.082 0.000 0.965 226 Y CA -0.673 57.290 58.100 -0.228 0.000 1.091 226 Y CB 2.301 40.699 38.460 -0.105 0.000 1.182 226 Y HN 0.801 nan 8.280 nan 0.000 0.450 227 A N 2.248 125.099 122.820 0.052 0.000 2.295 227 A HA 0.776 5.148 4.320 0.087 0.000 0.318 227 A C -1.005 176.548 177.584 -0.051 0.000 1.134 227 A CA -0.716 51.330 52.037 0.013 0.000 0.827 227 A CB 0.804 19.766 19.000 -0.064 0.000 1.136 227 A HN 0.534 nan 8.150 nan 0.000 0.493 228 V N 2.458 122.307 119.914 -0.108 0.000 2.304 228 V HA 0.516 4.688 4.120 0.087 0.000 0.269 228 V C 0.956 176.983 176.094 -0.112 0.000 1.036 228 V CA 0.104 62.351 62.300 -0.088 0.000 0.840 228 V CB 0.603 32.377 31.823 -0.083 0.000 1.036 228 V HN 1.099 nan 8.190 nan 0.000 0.466 229 G N 2.520 111.276 108.800 -0.073 0.000 2.502 229 G HA2 0.542 4.554 3.960 0.087 0.000 0.305 229 G HA3 0.542 4.554 3.960 0.087 0.000 0.305 229 G C 0.875 175.749 174.900 -0.043 0.000 1.190 229 G CA -0.007 45.067 45.100 -0.044 0.000 0.933 229 G HN 1.518 nan 8.290 nan 0.000 0.503 230 G N -1.366 107.411 108.800 -0.039 0.000 2.160 230 G HA2 -0.231 3.781 3.960 0.087 0.000 0.251 230 G HA3 -0.231 3.781 3.960 0.087 0.000 0.251 230 G C 0.683 175.531 174.900 -0.087 0.000 1.008 230 G CA 0.604 45.662 45.100 -0.070 0.000 0.724 230 G HN 0.714 nan 8.290 nan 0.000 0.514 231 L N -0.701 120.473 121.223 -0.082 0.000 2.906 231 L HA 0.505 4.897 4.340 0.087 0.000 0.255 231 L C 1.660 178.472 176.870 -0.097 0.000 1.166 231 L CA 0.596 55.369 54.840 -0.112 0.000 0.977 231 L CB 0.628 42.635 42.059 -0.086 0.000 1.313 231 L HN 0.383 nan 8.230 nan 0.000 0.549 232 A N 0.680 123.464 122.820 -0.060 0.000 3.213 232 A HA 0.421 4.793 4.320 0.087 0.000 0.308 232 A C 0.822 178.380 177.584 -0.043 0.000 1.177 232 A CA -0.089 51.931 52.037 -0.029 0.000 1.010 232 A CB -0.279 18.734 19.000 0.022 0.000 1.092 232 A HN 0.123 nan 8.150 nan 0.000 0.583 233 V N -3.366 116.487 119.914 -0.103 0.000 3.085 233 V HA 0.565 4.737 4.120 0.087 0.000 0.345 233 V C 0.883 176.927 176.094 -0.083 0.000 1.397 233 V CA 0.157 62.411 62.300 -0.076 0.000 1.165 233 V CB -0.684 31.106 31.823 -0.055 0.000 1.153 233 V HN 1.457 nan 8.190 nan 0.000 0.495 234 G N 2.205 110.940 108.800 -0.109 0.000 2.225 234 G HA2 -0.265 3.747 3.960 0.087 0.000 0.264 234 G HA3 -0.265 3.747 3.960 0.087 0.000 0.264 234 G C 0.616 175.427 174.900 -0.149 0.000 1.060 234 G CA 0.588 45.643 45.100 -0.076 0.000 0.833 234 G HN 0.866 nan 8.290 nan 0.000 0.498 235 E N 0.441 120.397 120.200 -0.406 0.000 2.481 235 E HA 0.358 4.760 4.350 0.087 0.000 0.195 235 E C 1.168 177.634 176.600 -0.223 0.000 1.047 235 E CA 0.869 56.926 56.400 -0.572 0.000 0.867 235 E CB -0.081 29.020 29.700 -1.000 0.000 0.858 235 E HN 2.061 nan 8.360 nan 0.000 0.513 236 G N 1.924 110.619 108.800 -0.175 0.000 2.785 236 G HA2 -0.284 3.728 3.960 0.087 0.000 0.686 236 G HA3 -0.284 3.728 3.960 0.087 0.000 0.686 236 G C 0.123 174.896 174.900 -0.212 0.000 1.155 236 G CA 0.047 45.063 45.100 -0.139 0.000 0.760 236 G HN 0.192 nan 8.290 nan 0.000 0.624 237 Q N 0.275 119.919 119.800 -0.259 0.000 2.077 237 Q HA -0.202 4.190 4.340 0.087 0.000 0.206 237 Q C 2.043 177.712 176.000 -0.551 0.000 0.989 237 Q CA 2.426 57.932 55.803 -0.495 0.000 0.853 237 Q CB -0.119 28.296 28.738 -0.538 0.000 0.907 237 Q HN 0.716 nan 8.270 nan 0.000 0.418 238 D N 0.154 120.373 120.400 -0.302 0.000 2.116 238 D HA -0.208 4.484 4.640 0.087 0.000 0.193 238 D C 1.799 178.046 176.300 -0.088 0.000 0.998 238 D CA 1.609 55.521 54.000 -0.147 0.000 0.836 238 D CB -0.249 40.511 40.800 -0.066 0.000 0.951 238 D HN 0.342 nan 8.370 nan 0.000 0.449 239 E N 0.463 120.598 120.200 -0.108 0.000 2.072 239 E HA -0.127 4.275 4.350 0.087 0.000 0.191 239 E C 2.107 178.640 176.600 -0.112 0.000 0.985 239 E CA 0.657 57.007 56.400 -0.085 0.000 0.801 239 E CB -0.280 29.363 29.700 -0.095 0.000 0.750 239 E HN 0.253 nan 8.360 nan 0.000 0.452 240 M N -0.791 118.712 119.600 -0.162 0.000 2.086 240 M HA -0.151 4.381 4.480 0.087 0.000 0.261 240 M C 1.322 177.654 176.300 0.054 0.000 1.067 240 M CA 1.481 56.714 55.300 -0.112 0.000 1.116 240 M CB -0.145 32.370 32.600 -0.142 0.000 1.348 240 M HN 0.113 nan 8.290 nan 0.000 0.407 241 F N 0.481 120.381 119.950 -0.083 0.000 2.134 241 F HA -0.128 4.451 4.527 0.086 0.000 0.299 241 F C 2.683 178.404 175.800 -0.132 0.000 1.097 241 F CA 1.491 59.447 58.000 -0.074 0.000 1.264 241 F CB -1.405 37.577 39.000 -0.030 0.000 1.001 241 F HN 0.275 nan 8.300 nan 0.000 0.479 242 R N 0.412 120.953 120.500 0.069 0.000 2.091 242 R HA -0.143 4.249 4.340 0.087 0.000 0.238 242 R C 2.101 178.195 176.300 -0.343 0.000 1.136 242 R CA 1.742 57.815 56.100 -0.045 0.000 0.959 242 R CB -0.432 29.877 30.300 0.016 0.000 0.856 242 R HN 0.144 nan 8.270 nan 0.000 0.437 243 V N 1.253 120.926 119.914 -0.402 0.000 2.358 243 V HA -0.221 3.951 4.120 0.087 0.000 0.246 243 V C 2.352 177.937 176.094 -0.848 0.000 1.047 243 V CA 1.546 63.353 62.300 -0.821 0.000 1.035 243 V CB -0.371 31.242 31.823 -0.351 0.000 0.658 243 V HN 0.340 nan 8.190 nan 0.000 0.452 244 L N -0.259 120.741 121.223 -0.372 0.000 2.131 244 L HA -0.173 4.219 4.340 0.087 0.000 0.210 244 L C 2.408 179.126 176.870 -0.255 0.000 1.092 244 L CA 1.336 56.035 54.840 -0.234 0.000 0.759 244 L CB -0.768 41.258 42.059 -0.054 0.000 0.903 244 L HN 0.346 nan 8.230 nan 0.000 0.435 245 D N 0.505 120.744 120.400 -0.268 0.000 2.133 245 D HA -0.233 4.459 4.640 0.087 0.000 0.192 245 D C 1.854 178.110 176.300 -0.074 0.000 1.001 245 D CA 1.904 55.818 54.000 -0.142 0.000 0.844 245 D CB -0.167 40.590 40.800 -0.072 0.000 0.944 245 D HN 0.495 nan 8.370 nan 0.000 0.447 246 F N -0.588 119.365 119.950 0.005 0.000 2.714 246 F HA 0.378 4.957 4.527 0.087 0.000 0.294 246 F C 2.110 177.898 175.800 -0.021 0.000 1.120 246 F CA -0.190 57.807 58.000 -0.004 0.000 1.398 246 F CB -0.466 38.538 39.000 0.006 0.000 1.120 246 F HN -0.256 nan 8.300 nan 0.000 0.589 247 S N 1.064 116.770 115.700 0.010 0.000 2.362 247 S HA -0.054 4.468 4.470 0.087 0.000 0.221 247 S C 2.167 176.742 174.600 -0.042 0.000 1.032 247 S CA 1.227 59.465 58.200 0.064 0.000 0.973 247 S CB -0.503 62.663 63.200 -0.056 0.000 0.849 247 S HN 0.252 nan 8.310 nan 0.000 0.465 248 V N 2.788 122.637 119.914 -0.107 0.000 2.407 248 V HA -0.077 4.095 4.120 0.087 0.000 0.248 248 V C -0.938 175.041 176.094 -0.191 0.000 1.055 248 V CA 1.534 63.718 62.300 -0.193 0.000 1.049 248 V CB -1.835 29.895 31.823 -0.155 0.000 0.662 248 V HN 0.327 nan 8.190 nan 0.000 0.455 249 P HA -0.102 nan 4.420 nan 0.000 0.225 249 P C 1.728 178.997 177.300 -0.052 0.000 1.148 249 P CA 1.324 64.401 63.100 -0.038 0.000 0.779 249 P CB -0.119 31.590 31.700 0.015 0.000 0.780 250 M N -1.964 117.602 119.600 -0.057 0.000 2.419 250 M HA -0.009 4.523 4.480 0.087 0.000 0.264 250 M C 0.741 176.960 176.300 -0.136 0.000 1.082 250 M CA 0.833 56.096 55.300 -0.060 0.000 1.119 250 M CB -0.513 32.076 32.600 -0.019 0.000 1.398 250 M HN -0.104 nan 8.290 nan 0.000 0.453 251 L N 0.624 121.713 121.223 -0.223 0.000 2.418 251 L HA 0.267 4.659 4.340 0.087 0.000 0.265 251 L C -2.075 174.642 176.870 -0.254 0.000 1.143 251 L CA -2.189 52.441 54.840 -0.349 0.000 0.809 251 L CB -0.388 41.396 42.059 -0.458 0.000 1.124 251 L HN -0.249 nan 8.230 nan 0.000 0.456 252 P HA -0.055 nan 4.420 nan 0.000 0.261 252 P C -0.091 177.285 177.300 0.127 0.000 1.183 252 P CA 0.289 63.320 63.100 -0.114 0.000 0.761 252 P CB 0.542 32.139 31.700 -0.170 0.000 0.785 253 D N 2.701 123.178 120.400 0.128 0.000 2.178 253 D HA -0.185 4.507 4.640 0.087 0.000 0.202 253 D C 1.044 177.452 176.300 0.180 0.000 0.974 253 D CA 1.146 55.265 54.000 0.198 0.000 0.841 253 D CB -0.041 40.830 40.800 0.119 0.000 0.953 253 D HN 0.378 nan 8.370 nan 0.000 0.478 254 D N -0.742 119.754 120.400 0.159 0.000 2.336 254 D HA -0.028 4.664 4.640 0.087 0.000 0.229 254 D C -0.082 176.424 176.300 0.343 0.000 1.061 254 D CA 0.236 54.347 54.000 0.186 0.000 0.875 254 D CB 0.019 40.892 40.800 0.122 0.000 0.904 254 D HN 0.017 nan 8.370 nan 0.000 0.525 255 K N 0.589 121.163 120.400 0.290 0.000 2.328 255 K HA 0.483 4.855 4.320 0.087 0.000 0.246 255 K C -2.781 173.686 176.600 -0.221 0.000 0.955 255 K CA -2.454 53.966 56.287 0.221 0.000 0.817 255 K CB 1.400 34.084 32.500 0.307 0.000 1.208 255 K HN -0.111 nan 8.250 nan 0.000 0.432 256 P HA 0.062 nan 4.420 nan 0.000 0.269 256 P C -0.838 176.262 177.300 -0.334 0.000 1.209 256 P CA 0.203 62.780 63.100 -0.873 0.000 0.776 256 P CB 0.341 31.608 31.700 -0.722 0.000 0.876 257 H N 1.833 120.805 119.070 -0.164 0.000 2.587 257 H HA 0.277 4.885 4.556 0.087 0.000 0.325 257 H C -0.939 174.377 175.328 -0.020 0.000 1.012 257 H CA -0.393 55.621 56.048 -0.057 0.000 1.213 257 H CB 0.316 30.052 29.762 -0.043 0.000 1.431 257 H HN 0.378 nan 8.280 nan 0.000 0.492 258 Y N 4.374 124.676 120.300 0.003 0.000 2.334 258 Y HA 0.304 4.907 4.550 0.087 0.000 0.336 258 Y C -1.255 174.591 175.900 -0.090 0.000 0.960 258 Y CA -1.606 56.458 58.100 -0.060 0.000 1.164 258 Y CB 0.692 39.213 38.460 0.101 0.000 1.155 258 Y HN 0.475 nan 8.280 nan 0.000 0.478 259 L N 7.925 129.051 121.223 -0.161 0.000 2.302 259 L HA 0.417 4.809 4.340 0.087 0.000 0.285 259 L C -0.573 176.132 176.870 -0.275 0.000 1.090 259 L CA -0.214 54.497 54.840 -0.215 0.000 0.866 259 L CB -0.042 41.969 42.059 -0.080 0.000 1.244 259 L HN 0.706 nan 8.230 nan 0.000 0.435 260 M N 4.586 123.846 119.600 -0.568 0.000 2.239 260 M HA 0.223 4.755 4.480 0.087 0.000 0.348 260 M C 1.501 177.747 176.300 -0.090 0.000 1.239 260 M CA 0.936 55.940 55.300 -0.493 0.000 1.114 260 M CB 0.250 32.548 32.600 -0.504 0.000 1.641 260 M HN 0.843 nan 8.290 nan 0.000 0.453 261 G N 2.188 111.004 108.800 0.028 0.000 2.175 261 G HA2 -0.209 3.803 3.960 0.087 0.000 0.265 261 G HA3 -0.209 3.803 3.960 0.087 0.000 0.265 261 G C -0.083 174.908 174.900 0.152 0.000 0.979 261 G CA 0.024 45.180 45.100 0.093 0.000 0.663 261 G HN 0.582 nan 8.290 nan 0.000 0.533 262 V N -0.073 119.977 119.914 0.228 0.000 2.427 262 V HA 0.731 4.903 4.120 0.087 0.000 0.286 262 V C 1.161 177.484 176.094 0.382 0.000 1.034 262 V CA 0.768 63.237 62.300 0.283 0.000 0.893 262 V CB 1.447 33.466 31.823 0.326 0.000 0.982 262 V HN 0.742 nan 8.190 nan 0.000 0.452 263 G N 3.665 112.635 108.800 0.284 0.000 3.193 263 G HA2 0.082 4.094 3.960 0.087 0.000 0.183 263 G HA3 0.082 4.094 3.960 0.087 0.000 0.183 263 G C 0.368 175.380 174.900 0.186 0.000 1.254 263 G CA -0.370 44.919 45.100 0.315 0.000 0.898 263 G HN 0.503 nan 8.290 nan 0.000 0.816 264 K N 1.343 121.827 120.400 0.139 0.000 2.524 264 K HA 0.077 4.449 4.320 0.087 0.000 0.279 264 K C -1.597 174.948 176.600 -0.091 0.000 0.993 264 K CA -0.951 55.395 56.287 0.099 0.000 1.030 264 K CB 1.473 34.074 32.500 0.169 0.000 0.891 264 K HN -0.085 nan 8.250 nan 0.000 0.488 265 P HA -0.267 nan 4.420 nan 0.000 0.215 265 P C 0.704 177.835 177.300 -0.282 0.000 1.163 265 P CA 1.635 64.441 63.100 -0.489 0.000 0.894 265 P CB 0.089 31.490 31.700 -0.498 0.000 0.791 266 D N -1.268 119.127 120.400 -0.008 0.000 2.219 266 D HA -0.170 4.522 4.640 0.087 0.000 0.205 266 D C 1.207 177.662 176.300 0.258 0.000 0.970 266 D CA 1.087 55.246 54.000 0.265 0.000 0.851 266 D CB -0.992 40.151 40.800 0.572 0.000 0.943 266 D HN 0.147 nan 8.370 nan 0.000 0.488 267 D N 0.998 121.503 120.400 0.176 0.000 2.117 267 D HA -0.035 4.657 4.640 0.087 0.000 0.198 267 D C 2.410 178.832 176.300 0.203 0.000 0.982 267 D CA 0.429 54.576 54.000 0.244 0.000 0.828 267 D CB -0.190 40.695 40.800 0.141 0.000 0.967 267 D HN 0.322 nan 8.370 nan 0.000 0.464 268 I N 0.489 121.001 120.570 -0.097 0.000 2.179 268 I HA -0.236 3.986 4.170 0.087 0.000 0.242 268 I C 2.405 178.411 176.117 -0.186 0.000 1.088 268 I CA 0.670 61.697 61.300 -0.456 0.000 1.357 268 I CB -0.213 37.317 38.000 -0.785 0.000 1.051 268 I HN -0.104 nan 8.210 nan 0.000 0.409 269 V N 1.099 120.943 119.914 -0.117 0.000 2.332 269 V HA -0.247 3.925 4.120 0.087 0.000 0.248 269 V C 2.573 178.740 176.094 0.121 0.000 1.055 269 V CA 2.272 64.590 62.300 0.030 0.000 1.038 269 V CB -1.434 30.324 31.823 -0.108 0.000 0.651 269 V HN 0.595 nan 8.190 nan 0.000 0.450 270 G N -0.730 108.119 108.800 0.082 0.000 2.408 270 G HA2 -0.139 3.873 3.960 0.087 0.000 0.217 270 G HA3 -0.139 3.873 3.960 0.087 0.000 0.217 270 G C 1.728 176.454 174.900 -0.290 0.000 1.150 270 G CA 0.951 45.883 45.100 -0.280 0.000 0.776 270 G HN 0.611 nan 8.290 nan 0.000 0.542 271 A N 0.152 123.028 122.820 0.093 0.000 1.930 271 A HA 0.147 4.519 4.320 0.087 0.000 0.217 271 A C 2.556 180.300 177.584 0.267 0.000 1.175 271 A CA 1.580 53.763 52.037 0.243 0.000 0.627 271 A CB -0.492 18.856 19.000 0.580 0.000 0.815 271 A HN 0.223 nan 8.150 nan 0.000 0.443 272 V N 0.302 120.426 119.914 0.350 0.000 2.427 272 V HA -0.245 3.927 4.120 0.087 0.000 0.248 272 V C 2.251 178.481 176.094 0.227 0.000 1.051 272 V CA 2.137 64.607 62.300 0.283 0.000 1.048 272 V CB -0.820 31.129 31.823 0.210 0.000 0.666 272 V HN 0.629 nan 8.190 nan 0.000 0.456 273 E N -0.166 120.216 120.200 0.303 0.000 2.333 273 E HA -0.155 4.247 4.350 0.087 0.000 0.198 273 E C 1.921 178.583 176.600 0.103 0.000 1.007 273 E CA 0.671 57.243 56.400 0.286 0.000 0.845 273 E CB -0.058 29.704 29.700 0.103 0.000 0.766 273 E HN 0.548 nan 8.360 nan 0.000 0.507 274 R N -0.882 119.645 120.500 0.045 0.000 2.468 274 R HA 0.150 4.542 4.340 0.087 0.000 0.280 274 R C 0.719 177.051 176.300 0.053 0.000 0.963 274 R CA 0.431 56.535 56.100 0.007 0.000 1.083 274 R CB 1.112 31.369 30.300 -0.071 0.000 1.200 274 R HN 0.173 nan 8.270 nan 0.000 0.541 275 G N 0.856 109.718 108.800 0.104 0.000 2.163 275 G HA2 -0.183 3.829 3.960 0.087 0.000 0.213 275 G HA3 -0.183 3.829 3.960 0.087 0.000 0.213 275 G C 0.033 175.060 174.900 0.211 0.000 0.991 275 G CA -0.626 44.570 45.100 0.159 0.000 0.653 275 G HN 0.095 nan 8.290 nan 0.000 0.518 276 I N 1.531 122.182 120.570 0.136 0.000 2.428 276 I HA 0.320 4.542 4.170 0.087 0.000 0.289 276 I C 0.489 176.598 176.117 -0.014 0.000 1.019 276 I CA -0.259 61.063 61.300 0.036 0.000 1.351 276 I CB 1.224 39.165 38.000 -0.098 0.000 1.412 276 I HN 0.040 nan 8.210 nan 0.000 0.513 277 D N 4.848 125.188 120.400 -0.100 0.000 2.423 277 D HA 0.202 4.894 4.640 0.087 0.000 0.212 277 D C 0.293 176.526 176.300 -0.111 0.000 1.060 277 D CA 0.725 54.682 54.000 -0.072 0.000 0.872 277 D CB 1.053 41.771 40.800 -0.137 0.000 1.012 277 D HN 0.401 nan 8.370 nan 0.000 0.503 278 M N 0.182 119.606 119.600 -0.293 0.000 2.501 278 M HA 0.447 4.979 4.480 0.087 0.000 0.293 278 M C -1.497 174.579 176.300 -0.373 0.000 1.192 278 M CA -0.581 54.597 55.300 -0.204 0.000 0.886 278 M CB 2.934 35.437 32.600 -0.162 0.000 1.710 278 M HN -0.304 nan 8.290 nan 0.000 0.457 279 F N 0.021 120.089 119.950 0.197 0.000 2.626 279 F HA 0.661 5.240 4.527 0.086 0.000 0.311 279 F C -0.851 174.964 175.800 0.025 0.000 1.088 279 F CA -0.783 57.376 58.000 0.265 0.000 0.949 279 F CB 2.049 41.273 39.000 0.372 0.000 1.322 279 F HN 0.661 nan 8.300 nan 0.000 0.461 280 D N -0.511 120.061 120.400 0.286 0.000 2.654 280 D HA 0.680 5.372 4.640 0.087 0.000 0.231 280 D C -1.312 175.082 176.300 0.157 0.000 1.239 280 D CA -0.571 53.380 54.000 -0.082 0.000 0.790 280 D CB 2.238 43.021 40.800 -0.028 0.000 1.480 280 D HN 0.985 nan 8.370 nan 0.000 0.442 281 C N 0.256 119.624 119.300 0.113 0.000 2.998 281 C HA 0.509 5.021 4.460 0.087 0.000 0.351 281 C C 0.802 175.873 174.990 0.135 0.000 1.169 281 C CA -0.221 58.903 59.018 0.177 0.000 1.116 281 C CB 0.312 28.210 27.740 0.263 0.000 1.392 281 C HN 1.181 nan 8.230 nan 0.000 0.511 282 V N 1.289 121.253 119.914 0.082 0.000 3.541 282 V HA 0.105 4.277 4.120 0.087 0.000 0.267 282 V C 1.885 178.003 176.094 0.041 0.000 1.213 282 V CA 1.252 63.579 62.300 0.046 0.000 1.149 282 V CB -0.749 31.095 31.823 0.035 0.000 0.822 282 V HN 0.967 nan 8.190 nan 0.000 0.462 283 L N 0.575 121.834 121.223 0.059 0.000 1.997 283 L HA -0.125 4.267 4.340 0.087 0.000 0.216 283 L C 0.309 177.219 176.870 0.067 0.000 1.074 283 L CA 2.738 57.631 54.840 0.089 0.000 0.763 283 L CB -1.236 40.904 42.059 0.136 0.000 0.890 283 L HN 0.361 nan 8.230 nan 0.000 0.434 284 P HA -0.169 nan 4.420 nan 0.000 0.214 284 P C 1.555 178.850 177.300 -0.008 0.000 1.163 284 P CA 2.504 65.481 63.100 -0.206 0.000 0.889 284 P CB -0.212 31.092 31.700 -0.659 0.000 0.790 285 T N -2.282 112.256 114.554 -0.027 0.000 2.668 285 T HA -0.106 4.296 4.350 0.087 0.000 0.258 285 T C 1.961 176.665 174.700 0.007 0.000 1.051 285 T CA 0.883 62.979 62.100 -0.006 0.000 1.155 285 T CB -0.913 67.944 68.868 -0.019 0.000 0.864 285 T HN -0.035 nan 8.240 nan 0.000 0.413 286 R N 1.050 121.557 120.500 0.013 0.000 2.080 286 R HA -0.087 4.305 4.340 0.087 0.000 0.236 286 R C 2.750 179.061 176.300 0.018 0.000 1.137 286 R CA 1.865 57.973 56.100 0.014 0.000 0.943 286 R CB -0.615 29.699 30.300 0.024 0.000 0.846 286 R HN 0.395 nan 8.270 nan 0.000 0.431 287 S N -0.468 115.261 115.700 0.048 0.000 2.399 287 S HA -0.086 4.436 4.470 0.087 0.000 0.231 287 S C 1.785 176.382 174.600 -0.006 0.000 1.022 287 S CA 1.073 59.292 58.200 0.032 0.000 0.983 287 S CB -0.296 62.956 63.200 0.087 0.000 0.803 287 S HN 0.682 nan 8.310 nan 0.000 0.480 288 G N 1.984 110.798 108.800 0.024 0.000 2.446 288 G HA2 -0.215 3.797 3.960 0.087 0.000 0.217 288 G HA3 -0.215 3.797 3.960 0.087 0.000 0.217 288 G C 1.438 176.319 174.900 -0.032 0.000 1.168 288 G CA 0.393 45.496 45.100 0.004 0.000 0.771 288 G HN 0.431 nan 8.290 nan 0.000 0.551 289 R N -0.015 120.467 120.500 -0.030 0.000 2.189 289 R HA -0.024 4.368 4.340 0.087 0.000 0.223 289 R C 2.026 178.292 176.300 -0.056 0.000 1.092 289 R CA 1.072 57.144 56.100 -0.047 0.000 0.989 289 R CB -0.228 30.048 30.300 -0.040 0.000 0.876 289 R HN 0.352 nan 8.270 nan 0.000 0.457 290 N N -0.335 118.336 118.700 -0.048 0.000 2.412 290 N HA -0.028 4.764 4.740 0.087 0.000 0.184 290 N C 0.745 176.213 175.510 -0.069 0.000 1.101 290 N CA 0.967 53.986 53.050 -0.052 0.000 0.881 290 N CB 0.678 39.144 38.487 -0.035 0.000 0.969 290 N HN 0.296 nan 8.380 nan 0.000 0.459 291 G N -0.420 108.329 108.800 -0.085 0.000 2.184 291 G HA2 -0.245 3.767 3.960 0.087 0.000 0.206 291 G HA3 -0.245 3.767 3.960 0.087 0.000 0.206 291 G C -0.193 174.626 174.900 -0.136 0.000 0.995 291 G CA 0.025 45.063 45.100 -0.104 0.000 0.651 291 G HN 0.525 nan 8.290 nan 0.000 0.511 292 Q N 0.652 120.359 119.800 -0.154 0.000 2.296 292 Q HA 0.689 5.081 4.340 0.087 0.000 0.257 292 Q C -0.026 175.775 176.000 -0.330 0.000 0.942 292 Q CA 0.154 55.801 55.803 -0.260 0.000 0.939 292 Q CB 1.011 29.575 28.738 -0.290 0.000 1.198 292 Q HN 0.830 nan 8.270 nan 0.000 0.429 293 A N 4.398 126.989 122.820 -0.382 0.000 2.331 293 A HA 0.606 4.978 4.320 0.087 0.000 0.320 293 A C -1.330 175.971 177.584 -0.473 0.000 1.138 293 A CA -0.602 51.257 52.037 -0.296 0.000 0.790 293 A CB 0.553 19.396 19.000 -0.260 0.000 1.206 293 A HN 0.739 nan 8.150 nan 0.000 0.470 294 F N 1.636 121.455 119.950 -0.219 0.000 2.396 294 F HA 0.549 5.126 4.527 0.083 0.000 0.343 294 F C 1.314 176.552 175.800 -0.935 0.000 1.104 294 F CA 0.623 58.261 58.000 -0.603 0.000 1.161 294 F CB 1.927 40.445 39.000 -0.803 0.000 1.146 294 F HN 0.657 nan 8.300 nan 0.000 0.522 295 T N -1.575 112.576 114.554 -0.671 0.000 2.883 295 T HA 0.258 4.660 4.350 0.087 0.000 0.296 295 T C 0.115 174.701 174.700 -0.190 0.000 1.117 295 T CA -0.898 60.919 62.100 -0.472 0.000 1.006 295 T CB 0.759 69.516 68.868 -0.185 0.000 1.191 295 T HN 0.590 nan 8.240 nan 0.000 0.508 296 W N 0.271 121.779 121.300 0.347 0.000 2.525 296 W HA 0.132 4.843 4.660 0.086 0.000 0.259 296 W C 1.146 177.753 176.519 0.147 0.000 1.253 296 W CA 0.082 57.679 57.345 0.420 0.000 1.262 296 W CB 0.122 29.788 29.460 0.343 0.000 1.122 296 W HN 0.650 nan 8.180 nan 0.000 0.607 297 D N -0.295 120.194 120.400 0.149 0.000 2.358 297 D HA 0.262 4.954 4.640 0.087 0.000 0.224 297 D C 1.052 177.174 176.300 -0.297 0.000 1.123 297 D CA 0.883 54.859 54.000 -0.040 0.000 0.833 297 D CB 0.120 40.921 40.800 0.001 0.000 0.946 297 D HN 0.101 nan 8.370 nan 0.000 0.505 298 G N 2.395 110.849 108.800 -0.577 0.000 2.612 298 G HA2 -0.147 3.865 3.960 0.087 0.000 0.686 298 G HA3 -0.147 3.865 3.960 0.087 0.000 0.686 298 G C -3.011 171.559 174.900 -0.551 0.000 1.274 298 G CA -1.136 43.346 45.100 -1.030 0.000 0.849 298 G HN -0.118 nan 8.290 nan 0.000 0.595 299 P HA 0.560 nan 4.420 nan 0.000 0.274 299 P C 0.144 177.263 177.300 -0.302 0.000 1.231 299 P CA -0.132 62.714 63.100 -0.423 0.000 0.790 299 P CB 0.998 32.413 31.700 -0.475 0.000 0.951 300 I N -1.552 118.838 120.570 -0.300 0.000 2.785 300 I HA 0.555 4.777 4.170 0.087 0.000 0.302 300 I C -0.575 175.434 176.117 -0.180 0.000 1.069 300 I CA -1.171 60.030 61.300 -0.164 0.000 1.045 300 I CB 2.380 40.282 38.000 -0.162 0.000 1.236 300 I HN 0.080 nan 8.210 nan 0.000 0.429 301 N N 3.674 122.359 118.700 -0.025 0.000 2.527 301 N HA 0.222 5.014 4.740 0.087 0.000 0.236 301 N C 0.360 175.895 175.510 0.042 0.000 0.999 301 N CA -0.375 52.660 53.050 -0.026 0.000 0.935 301 N CB 1.345 39.846 38.487 0.023 0.000 1.132 301 N HN 0.862 nan 8.380 nan 0.000 0.511 302 I N 4.100 124.581 120.570 -0.149 0.000 2.530 302 I HA -0.152 4.070 4.170 0.087 0.000 0.257 302 I C 1.916 178.156 176.117 0.204 0.000 1.179 302 I CA 1.182 62.373 61.300 -0.182 0.000 1.440 302 I CB 0.097 37.955 38.000 -0.237 0.000 1.087 302 I HN 0.482 nan 8.210 nan 0.000 0.440 303 R N 0.205 120.784 120.500 0.132 0.000 2.235 303 R HA -0.053 4.339 4.340 0.087 0.000 0.213 303 R C 0.987 177.465 176.300 0.297 0.000 1.059 303 R CA 0.050 56.219 56.100 0.116 0.000 0.997 303 R CB -0.614 29.683 30.300 -0.005 0.000 0.884 303 R HN 0.394 nan 8.270 nan 0.000 0.462 304 N N 1.095 120.000 118.700 0.342 0.000 2.412 304 N HA -0.067 4.725 4.740 0.087 0.000 0.254 304 N C 0.808 176.425 175.510 0.178 0.000 1.232 304 N CA 0.377 53.556 53.050 0.216 0.000 0.880 304 N CB 1.160 39.719 38.487 0.120 0.000 1.076 304 N HN 0.089 nan 8.380 nan 0.000 0.458 305 A N 4.900 127.763 122.820 0.072 0.000 2.032 305 A HA -0.231 4.141 4.320 0.087 0.000 0.221 305 A C 1.939 179.398 177.584 -0.209 0.000 1.165 305 A CA 1.762 53.790 52.037 -0.015 0.000 0.645 305 A CB -0.417 18.577 19.000 -0.010 0.000 0.807 305 A HN 0.916 nan 8.150 nan 0.000 0.453 306 R N -2.016 118.287 120.500 -0.328 0.000 2.341 306 R HA -0.026 4.366 4.340 0.087 0.000 0.213 306 R C 0.583 176.530 176.300 -0.587 0.000 1.082 306 R CA 1.488 57.299 56.100 -0.481 0.000 1.017 306 R CB -0.518 29.415 30.300 -0.611 0.000 0.860 306 R HN 0.422 nan 8.270 nan 0.000 0.473 307 F N 1.114 120.919 119.950 -0.241 0.000 2.695 307 F HA 0.203 4.784 4.527 0.091 0.000 0.303 307 F C 2.130 177.663 175.800 -0.445 0.000 1.091 307 F CA 0.004 57.845 58.000 -0.265 0.000 1.300 307 F CB 0.424 39.328 39.000 -0.161 0.000 1.071 307 F HN 0.099 nan 8.300 nan 0.000 0.578 308 S N 0.269 115.657 115.700 -0.520 0.000 2.402 308 S HA -0.210 4.312 4.470 0.087 0.000 0.233 308 S C 1.089 175.632 174.600 -0.095 0.000 1.030 308 S CA 1.621 59.564 58.200 -0.427 0.000 1.003 308 S CB -0.400 62.665 63.200 -0.225 0.000 0.813 308 S HN 0.577 nan 8.310 nan 0.000 0.477 309 E N 0.505 120.668 120.200 -0.063 0.000 2.812 309 E HA 0.213 4.615 4.350 0.087 0.000 0.211 309 E C -1.083 175.529 176.600 0.019 0.000 0.986 309 E CA -0.307 56.091 56.400 -0.004 0.000 1.119 309 E CB 0.331 30.023 29.700 -0.013 0.000 1.046 309 E HN 0.329 nan 8.360 nan 0.000 0.474 310 D N 1.476 121.904 120.400 0.047 0.000 2.336 310 D HA 0.090 4.782 4.640 0.087 0.000 0.249 310 D C 0.758 177.112 176.300 0.090 0.000 1.213 310 D CA -0.068 53.984 54.000 0.087 0.000 0.870 310 D CB 0.969 41.889 40.800 0.199 0.000 1.076 310 D HN 0.189 nan 8.370 nan 0.000 0.483 311 L N 3.055 124.317 121.223 0.066 0.000 2.554 311 L HA 0.058 4.450 4.340 0.087 0.000 0.226 311 L C 1.266 178.172 176.870 0.060 0.000 1.137 311 L CA 0.282 55.160 54.840 0.063 0.000 0.863 311 L CB -0.059 42.025 42.059 0.042 0.000 0.985 311 L HN 0.120 nan 8.230 nan 0.000 0.451 312 K N 1.281 121.718 120.400 0.061 0.000 2.219 312 K HA 0.180 4.552 4.320 0.087 0.000 0.258 312 K C -2.151 174.474 176.600 0.041 0.000 1.008 312 K CA -1.634 54.683 56.287 0.050 0.000 0.928 312 K CB 0.193 32.725 32.500 0.053 0.000 0.983 312 K HN -0.155 nan 8.250 nan 0.000 0.484 313 P HA -0.008 nan 4.420 nan 0.000 0.276 313 P C 0.633 177.898 177.300 -0.058 0.000 1.261 313 P CA -0.453 62.656 63.100 0.015 0.000 0.800 313 P CB 0.563 32.283 31.700 0.034 0.000 1.066 314 L N -0.184 120.947 121.223 -0.153 0.000 2.034 314 L HA -0.125 4.267 4.340 0.087 0.000 0.217 314 L C 1.188 177.910 176.870 -0.247 0.000 1.077 314 L CA 2.002 56.642 54.840 -0.335 0.000 0.769 314 L CB -1.116 40.517 42.059 -0.710 0.000 0.890 314 L HN 0.547 nan 8.230 nan 0.000 0.435 315 D N -2.443 117.880 120.400 -0.127 0.000 2.780 315 D HA 0.108 4.800 4.640 0.087 0.000 0.242 315 D C 0.867 177.229 176.300 0.103 0.000 1.135 315 D CA 0.538 54.561 54.000 0.038 0.000 0.859 315 D CB 1.969 42.870 40.800 0.168 0.000 1.530 315 D HN 0.082 nan 8.370 nan 0.000 0.493 316 S N 2.612 118.386 115.700 0.124 0.000 2.442 316 S HA -0.134 4.388 4.470 0.087 0.000 0.236 316 S C 1.089 175.756 174.600 0.111 0.000 1.007 316 S CA 0.986 59.251 58.200 0.108 0.000 0.965 316 S CB 0.001 63.263 63.200 0.103 0.000 0.773 316 S HN 0.615 nan 8.310 nan 0.000 0.504 317 E N -0.388 119.919 120.200 0.179 0.000 2.413 317 E HA 0.208 4.610 4.350 0.087 0.000 0.203 317 E C 0.480 177.043 176.600 -0.061 0.000 0.957 317 E CA -0.274 56.176 56.400 0.083 0.000 0.950 317 E CB 0.461 30.245 29.700 0.141 0.000 0.957 317 E HN 0.489 nan 8.360 nan 0.000 0.497 318 C N 2.654 122.055 119.300 0.168 0.000 2.465 318 C HA -0.085 4.427 4.460 0.087 0.000 0.402 318 C C 1.288 176.270 174.990 -0.014 0.000 1.448 318 C CA 0.061 59.182 59.018 0.171 0.000 1.589 318 C CB -0.364 27.600 27.740 0.375 0.000 2.535 318 C HN 0.436 nan 8.230 nan 0.000 0.600 319 H N 4.058 123.270 119.070 0.237 0.000 2.517 319 H HA 0.128 4.734 4.556 0.083 0.000 0.282 319 H C 1.304 176.728 175.328 0.160 0.000 1.023 319 H CA 0.456 56.604 56.048 0.166 0.000 1.169 319 H CB -0.678 29.162 29.762 0.130 0.000 1.454 319 H HN 0.891 nan 8.280 nan 0.000 0.556 320 C N 0.023 119.487 119.300 0.274 0.000 2.656 320 C HA 0.545 5.057 4.460 0.087 0.000 0.391 320 C C 2.264 177.387 174.990 0.221 0.000 1.300 320 C CA 0.043 59.209 59.018 0.247 0.000 2.302 320 C CB 0.756 28.658 27.740 0.271 0.000 2.655 320 C HN 0.463 nan 8.230 nan 0.000 0.656 321 A N 2.110 125.055 122.820 0.208 0.000 1.978 321 A HA -0.034 4.338 4.320 0.087 0.000 0.220 321 A C 2.084 179.815 177.584 0.245 0.000 1.170 321 A CA 2.233 54.383 52.037 0.188 0.000 0.636 321 A CB -0.935 18.186 19.000 0.202 0.000 0.810 321 A HN 1.068 nan 8.150 nan 0.000 0.448 322 V N -1.067 119.062 119.914 0.358 0.000 2.343 322 V HA -0.303 3.869 4.120 0.087 0.000 0.247 322 V C 2.462 178.762 176.094 0.344 0.000 1.051 322 V CA 2.019 64.622 62.300 0.505 0.000 1.036 322 V CB -1.101 30.959 31.823 0.395 0.000 0.654 322 V HN 0.688 nan 8.190 nan 0.000 0.451 323 C N -0.427 119.012 119.300 0.231 0.000 2.500 323 C HA -0.064 4.448 4.460 0.087 0.000 0.273 323 C C 2.654 177.695 174.990 0.084 0.000 1.428 323 C CA 0.814 59.918 59.018 0.142 0.000 1.766 323 C CB -1.061 26.767 27.740 0.145 0.000 1.817 323 C HN 0.664 nan 8.230 nan 0.000 0.543 324 Q N 0.665 120.503 119.800 0.064 0.000 2.269 324 Q HA -0.041 4.351 4.340 0.087 0.000 0.201 324 Q C 1.810 177.726 176.000 -0.141 0.000 0.946 324 Q CA 1.111 56.909 55.803 -0.009 0.000 0.877 324 Q CB 0.159 28.903 28.738 0.010 0.000 0.963 324 Q HN 0.643 nan 8.270 nan 0.000 0.472 325 K N -1.454 118.780 120.400 -0.278 0.000 2.424 325 K HA 0.138 4.510 4.320 0.087 0.000 0.198 325 K C 0.013 176.172 176.600 -0.735 0.000 1.190 325 K CA -0.057 55.813 56.287 -0.694 0.000 0.935 325 K CB 0.905 32.561 32.500 -1.406 0.000 1.087 325 K HN 0.058 nan 8.250 nan 0.000 0.524 326 W N 2.201 123.534 121.300 0.054 0.000 2.706 326 W HA 0.328 5.012 4.660 0.041 0.000 0.346 326 W C 0.304 176.869 176.519 0.076 0.000 1.071 326 W CA -0.998 56.394 57.345 0.078 0.000 1.206 326 W CB 1.475 31.049 29.460 0.191 0.000 1.413 326 W HN -0.104 nan 8.180 nan 0.000 0.542 327 S N 0.834 116.728 115.700 0.323 0.000 2.672 327 S HA 0.406 4.928 4.470 0.087 0.000 0.276 327 S C 0.963 175.683 174.600 0.200 0.000 1.207 327 S CA -0.561 57.760 58.200 0.202 0.000 1.002 327 S CB 1.995 65.293 63.200 0.162 0.000 0.998 327 S HN 0.488 nan 8.310 nan 0.000 0.542 328 R N 0.636 121.197 120.500 0.101 0.000 2.096 328 R HA -0.064 4.328 4.340 0.087 0.000 0.235 328 R C 2.546 178.925 176.300 0.132 0.000 1.127 328 R CA 1.354 57.473 56.100 0.031 0.000 0.968 328 R CB -0.995 29.279 30.300 -0.042 0.000 0.861 328 R HN 0.823 nan 8.270 nan 0.000 0.440 329 A N 0.546 123.468 122.820 0.171 0.000 1.908 329 A HA -0.243 4.129 4.320 0.087 0.000 0.218 329 A C 1.981 179.744 177.584 0.299 0.000 1.181 329 A CA 1.383 53.539 52.037 0.199 0.000 0.627 329 A CB -0.717 18.373 19.000 0.151 0.000 0.818 329 A HN 0.437 nan 8.150 nan 0.000 0.445 330 Y N 0.359 120.758 120.300 0.166 0.000 2.163 330 Y HA -0.113 4.484 4.550 0.078 0.000 0.288 330 Y C 1.998 177.991 175.900 0.155 0.000 1.136 330 Y CA 1.489 59.698 58.100 0.181 0.000 1.147 330 Y CB -0.329 38.249 38.460 0.196 0.000 0.987 330 Y HN 0.261 nan 8.280 nan 0.000 0.509 331 I N -0.536 120.050 120.570 0.026 0.000 2.394 331 I HA -0.307 3.915 4.170 0.087 0.000 0.251 331 I C 2.390 178.445 176.117 -0.103 0.000 1.136 331 I CA 1.713 62.925 61.300 -0.146 0.000 1.425 331 I CB -0.542 37.415 38.000 -0.073 0.000 1.079 331 I HN 0.306 nan 8.210 nan 0.000 0.425 332 H N 0.345 119.379 119.070 -0.060 0.000 2.321 332 H HA -0.294 4.314 4.556 0.086 0.000 0.300 332 H C 2.373 177.683 175.328 -0.029 0.000 1.087 332 H CA 2.421 58.458 56.048 -0.019 0.000 1.319 332 H CB -0.190 29.623 29.762 0.085 0.000 1.379 332 H HN 0.408 nan 8.280 nan 0.000 0.501 333 H N -0.457 118.589 119.070 -0.040 0.000 2.321 333 H HA -0.106 4.501 4.556 0.085 0.000 0.300 333 H C 1.975 177.165 175.328 -0.230 0.000 1.087 333 H CA 1.879 57.860 56.048 -0.112 0.000 1.319 333 H CB -0.450 29.309 29.762 -0.004 0.000 1.379 333 H HN 0.339 nan 8.280 nan 0.000 0.501 334 L N 0.311 121.201 121.223 -0.554 0.000 2.012 334 L HA -0.173 4.219 4.340 0.087 0.000 0.210 334 L C 2.413 179.031 176.870 -0.420 0.000 1.073 334 L CA 1.300 55.789 54.840 -0.585 0.000 0.748 334 L CB -0.875 40.848 42.059 -0.560 0.000 0.891 334 L HN 0.445 nan 8.230 nan 0.000 0.431 335 I N -0.749 119.620 120.570 -0.335 0.000 2.252 335 I HA -0.239 3.983 4.170 0.087 0.000 0.245 335 I C 2.524 178.485 176.117 -0.259 0.000 1.102 335 I CA 1.183 62.329 61.300 -0.257 0.000 1.385 335 I CB -0.954 36.921 38.000 -0.208 0.000 1.064 335 I HN 0.331 nan 8.210 nan 0.000 0.414 336 R N 0.587 120.892 120.500 -0.325 0.000 2.189 336 R HA -0.001 4.391 4.340 0.087 0.000 0.223 336 R C 1.884 178.042 176.300 -0.236 0.000 1.092 336 R CA 1.075 57.008 56.100 -0.279 0.000 0.989 336 R CB -0.134 29.956 30.300 -0.349 0.000 0.876 336 R HN 0.296 nan 8.270 nan 0.000 0.457 337 A N 0.032 122.665 122.820 -0.310 0.000 2.275 337 A HA 0.257 4.629 4.320 0.087 0.000 0.212 337 A C 1.317 178.781 177.584 -0.200 0.000 1.201 337 A CA 0.524 52.402 52.037 -0.265 0.000 0.843 337 A CB 0.102 18.859 19.000 -0.404 0.000 0.873 337 A HN 0.371 nan 8.150 nan 0.000 0.492 338 G N -0.178 108.506 108.800 -0.193 0.000 2.179 338 G HA2 -0.229 3.783 3.960 0.087 0.000 0.257 338 G HA3 -0.229 3.783 3.960 0.087 0.000 0.257 338 G C -0.152 174.661 174.900 -0.145 0.000 1.010 338 G CA 0.349 45.361 45.100 -0.146 0.000 0.736 338 G HN 0.498 nan 8.290 nan 0.000 0.513 339 E N -0.539 119.548 120.200 -0.189 0.000 2.360 339 E HA 0.315 4.717 4.350 0.087 0.000 0.269 339 E C 1.837 178.347 176.600 -0.150 0.000 1.022 339 E CA -0.522 55.777 56.400 -0.168 0.000 0.887 339 E CB 0.678 30.249 29.700 -0.214 0.000 0.990 339 E HN 0.305 nan 8.360 nan 0.000 0.426 340 I N 2.148 122.650 120.570 -0.113 0.000 2.264 340 I HA -0.301 3.921 4.170 0.087 0.000 0.248 340 I C 2.221 178.267 176.117 -0.118 0.000 1.111 340 I CA 0.700 61.940 61.300 -0.098 0.000 1.382 340 I CB -0.187 37.770 38.000 -0.071 0.000 1.060 340 I HN 0.407 nan 8.210 nan 0.000 0.418 341 L N 1.266 122.407 121.223 -0.137 0.000 2.187 341 L HA -0.112 4.280 4.340 0.087 0.000 0.213 341 L C 2.254 178.990 176.870 -0.224 0.000 1.100 341 L CA 1.952 56.688 54.840 -0.175 0.000 0.765 341 L CB -1.093 40.856 42.059 -0.184 0.000 0.904 341 L HN 0.185 nan 8.230 nan 0.000 0.437 342 G N -1.131 107.529 108.800 -0.233 0.000 2.421 342 G HA2 -0.252 3.760 3.960 0.087 0.000 0.216 342 G HA3 -0.252 3.760 3.960 0.087 0.000 0.216 342 G C 1.607 176.409 174.900 -0.164 0.000 1.171 342 G CA 0.756 45.714 45.100 -0.237 0.000 0.775 342 G HN 0.600 nan 8.290 nan 0.000 0.543 343 A N 0.565 123.307 122.820 -0.131 0.000 1.902 343 A HA 0.037 4.409 4.320 0.087 0.000 0.217 343 A C 2.481 180.022 177.584 -0.072 0.000 1.181 343 A CA 1.850 53.833 52.037 -0.091 0.000 0.623 343 A CB -0.370 18.583 19.000 -0.078 0.000 0.818 343 A HN 0.385 nan 8.150 nan 0.000 0.443 344 M N -1.205 118.344 119.600 -0.084 0.000 2.080 344 M HA -0.152 4.380 4.480 0.087 0.000 0.260 344 M C 1.997 178.266 176.300 -0.050 0.000 1.068 344 M CA 1.317 56.579 55.300 -0.063 0.000 1.109 344 M CB -0.433 32.120 32.600 -0.077 0.000 1.342 344 M HN 0.327 nan 8.290 nan 0.000 0.405 345 L N -0.385 120.778 121.223 -0.101 0.000 2.056 345 L HA -0.118 4.274 4.340 0.087 0.000 0.207 345 L C 2.444 179.327 176.870 0.021 0.000 1.078 345 L CA 1.697 56.496 54.840 -0.068 0.000 0.749 345 L CB -0.819 41.127 42.059 -0.189 0.000 0.901 345 L HN 0.328 nan 8.230 nan 0.000 0.433 346 M N -1.295 118.296 119.600 -0.015 0.000 2.117 346 M HA -0.152 4.380 4.480 0.087 0.000 0.262 346 M C 2.192 178.541 176.300 0.081 0.000 1.065 346 M CA 1.656 56.972 55.300 0.028 0.000 1.114 346 M CB -1.442 31.139 32.600 -0.033 0.000 1.361 346 M HN 0.240 nan 8.290 nan 0.000 0.408 347 T N -0.072 114.505 114.554 0.039 0.000 2.737 347 T HA -0.171 4.231 4.350 0.087 0.000 0.265 347 T C 1.760 176.499 174.700 0.065 0.000 1.038 347 T CA 1.610 63.734 62.100 0.041 0.000 1.144 347 T CB -0.195 68.679 68.868 0.009 0.000 0.866 347 T HN 0.474 nan 8.240 nan 0.000 0.434 348 E N 0.213 120.462 120.200 0.082 0.000 2.051 348 E HA -0.266 4.136 4.350 0.087 0.000 0.192 348 E C 2.106 178.790 176.600 0.139 0.000 0.991 348 E CA 1.454 57.919 56.400 0.110 0.000 0.799 348 E CB -0.143 29.635 29.700 0.129 0.000 0.748 348 E HN 0.668 nan 8.360 nan 0.000 0.449 349 H N 0.575 119.713 119.070 0.112 0.000 2.319 349 H HA -0.096 4.509 4.556 0.082 0.000 0.299 349 H C 1.875 177.310 175.328 0.180 0.000 1.092 349 H CA 2.381 58.513 56.048 0.139 0.000 1.302 349 H CB -0.201 29.620 29.762 0.099 0.000 1.373 349 H HN 0.137 nan 8.280 nan 0.000 0.497 350 N N 0.290 118.955 118.700 -0.058 0.000 2.104 350 N HA -0.125 4.667 4.740 0.087 0.000 0.190 350 N C 2.134 177.666 175.510 0.036 0.000 1.024 350 N CA 1.557 54.620 53.050 0.021 0.000 0.853 350 N CB -0.253 38.350 38.487 0.194 0.000 1.008 350 N HN 0.474 nan 8.380 nan 0.000 0.424 351 I N 0.587 121.164 120.570 0.012 0.000 2.315 351 I HA -0.185 4.037 4.170 0.087 0.000 0.248 351 I C 2.155 178.318 176.117 0.078 0.000 1.117 351 I CA 0.750 62.068 61.300 0.029 0.000 1.404 351 I CB -0.231 37.804 38.000 0.058 0.000 1.071 351 I HN 0.069 nan 8.210 nan 0.000 0.419 352 A N 0.680 123.537 122.820 0.062 0.000 1.898 352 A HA -0.252 4.120 4.320 0.087 0.000 0.216 352 A C 2.212 179.823 177.584 0.046 0.000 1.181 352 A CA 1.285 53.370 52.037 0.079 0.000 0.620 352 A CB -0.919 18.147 19.000 0.109 0.000 0.819 352 A HN 0.439 nan 8.150 nan 0.000 0.442 353 F N -0.778 119.059 119.950 -0.187 0.000 2.126 353 F HA -0.199 4.377 4.527 0.082 0.000 0.299 353 F C 2.098 177.775 175.800 -0.204 0.000 1.096 353 F CA 1.783 59.632 58.000 -0.251 0.000 1.255 353 F CB -0.407 38.340 39.000 -0.421 0.000 0.997 353 F HN 0.297 nan 8.300 nan 0.000 0.479 354 Y N 0.706 120.835 120.300 -0.286 0.000 2.181 354 Y HA -0.249 4.353 4.550 0.086 0.000 0.288 354 Y C 2.633 178.344 175.900 -0.316 0.000 1.146 354 Y CA 1.820 59.636 58.100 -0.472 0.000 1.164 354 Y CB -0.809 37.209 38.460 -0.737 0.000 0.982 354 Y HN 0.105 nan 8.280 nan 0.000 0.515 355 Q N 0.053 119.862 119.800 0.015 0.000 2.124 355 Q HA -0.210 4.182 4.340 0.087 0.000 0.202 355 Q C 2.130 178.125 176.000 -0.008 0.000 0.977 355 Q CA 1.441 57.278 55.803 0.056 0.000 0.850 355 Q CB -0.456 28.349 28.738 0.112 0.000 0.901 355 Q HN 0.627 nan 8.270 nan 0.000 0.429 356 Q N 0.001 119.775 119.800 -0.044 0.000 2.119 356 Q HA -0.125 4.267 4.340 0.087 0.000 0.201 356 Q C 2.088 178.077 176.000 -0.018 0.000 0.972 356 Q CA 0.796 56.607 55.803 0.014 0.000 0.847 356 Q CB -0.115 28.691 28.738 0.112 0.000 0.903 356 Q HN 0.204 nan 8.270 nan 0.000 0.433 357 L N 0.098 121.209 121.223 -0.187 0.000 2.017 357 L HA -0.189 4.203 4.340 0.087 0.000 0.208 357 L C 1.968 178.747 176.870 -0.151 0.000 1.073 357 L CA 1.733 56.477 54.840 -0.160 0.000 0.745 357 L CB -0.351 41.385 42.059 -0.539 0.000 0.894 357 L HN 0.204 nan 8.230 nan 0.000 0.432 358 M N -0.904 118.612 119.600 -0.140 0.000 2.159 358 M HA -0.177 4.355 4.480 0.087 0.000 0.263 358 M C 2.328 178.581 176.300 -0.078 0.000 1.063 358 M CA 1.578 56.836 55.300 -0.069 0.000 1.110 358 M CB -1.498 31.123 32.600 0.035 0.000 1.374 358 M HN 0.412 nan 8.290 nan 0.000 0.411 359 Q N 0.962 120.721 119.800 -0.069 0.000 2.084 359 Q HA -0.102 4.290 4.340 0.087 0.000 0.202 359 Q C 1.897 177.797 176.000 -0.166 0.000 0.978 359 Q CA 1.810 57.566 55.803 -0.079 0.000 0.844 359 Q CB -0.117 28.599 28.738 -0.037 0.000 0.898 359 Q HN 0.468 nan 8.270 nan 0.000 0.426 360 K N -0.317 119.938 120.400 -0.242 0.000 2.097 360 K HA -0.089 4.283 4.320 0.087 0.000 0.206 360 K C 2.084 178.291 176.600 -0.654 0.000 1.049 360 K CA 1.384 57.373 56.287 -0.497 0.000 0.933 360 K CB -0.170 31.936 32.500 -0.658 0.000 0.717 360 K HN 0.279 nan 8.250 nan 0.000 0.442 361 I N 0.763 121.070 120.570 -0.438 0.000 2.202 361 I HA -0.281 3.941 4.170 0.087 0.000 0.242 361 I C 2.424 178.382 176.117 -0.265 0.000 1.091 361 I CA 1.262 62.401 61.300 -0.269 0.000 1.368 361 I CB -0.205 37.727 38.000 -0.114 0.000 1.058 361 I HN 0.140 nan 8.210 nan 0.000 0.410 362 R N 0.619 121.000 120.500 -0.199 0.000 2.073 362 R HA -0.173 4.219 4.340 0.087 0.000 0.234 362 R C 1.928 178.144 176.300 -0.141 0.000 1.134 362 R CA 1.687 57.696 56.100 -0.151 0.000 0.952 362 R CB -0.434 29.812 30.300 -0.090 0.000 0.850 362 R HN 0.386 nan 8.270 nan 0.000 0.433 363 D N 0.224 120.534 120.400 -0.152 0.000 2.117 363 D HA -0.123 4.569 4.640 0.087 0.000 0.198 363 D C 2.085 178.321 176.300 -0.107 0.000 0.982 363 D CA 1.846 55.772 54.000 -0.123 0.000 0.828 363 D CB -0.299 40.421 40.800 -0.133 0.000 0.967 363 D HN 0.212 nan 8.370 nan 0.000 0.464 364 S N 0.471 116.087 115.700 -0.139 0.000 2.382 364 S HA -0.116 4.406 4.470 0.087 0.000 0.228 364 S C 2.276 176.907 174.600 0.052 0.000 1.027 364 S CA 0.578 58.764 58.200 -0.024 0.000 0.991 364 S CB -0.637 62.579 63.200 0.026 0.000 0.823 364 S HN 0.247 nan 8.310 nan 0.000 0.469 365 I N 1.882 122.436 120.570 -0.027 0.000 2.202 365 I HA -0.135 4.087 4.170 0.087 0.000 0.242 365 I C 2.672 178.771 176.117 -0.030 0.000 1.091 365 I CA 1.296 62.567 61.300 -0.049 0.000 1.368 365 I CB -0.596 37.273 38.000 -0.218 0.000 1.058 365 I HN 0.305 nan 8.210 nan 0.000 0.410 366 S N 0.193 115.861 115.700 -0.053 0.000 2.400 366 S HA -0.191 4.331 4.470 0.087 0.000 0.232 366 S C 1.615 176.202 174.600 -0.021 0.000 1.025 366 S CA 1.275 59.450 58.200 -0.042 0.000 0.993 366 S CB -0.295 62.874 63.200 -0.052 0.000 0.808 366 S HN 0.480 nan 8.310 nan 0.000 0.478 367 E N -0.016 120.178 120.200 -0.011 0.000 2.474 367 E HA 0.251 4.653 4.350 0.087 0.000 0.195 367 E C 1.003 177.618 176.600 0.025 0.000 1.039 367 E CA 0.087 56.489 56.400 0.002 0.000 0.881 367 E CB 0.194 29.893 29.700 -0.003 0.000 0.970 367 E HN 0.481 nan 8.360 nan 0.000 0.486 368 G N 2.916 111.740 108.800 0.041 0.000 2.249 368 G HA2 -0.347 3.665 3.960 0.087 0.000 0.273 368 G HA3 -0.347 3.665 3.960 0.087 0.000 0.273 368 G C 0.536 175.487 174.900 0.085 0.000 1.036 368 G CA 0.784 45.922 45.100 0.062 0.000 0.824 368 G HN 0.424 nan 8.290 nan 0.000 0.504 369 R N -1.509 119.059 120.500 0.113 0.000 2.668 369 R HA 0.442 4.834 4.340 0.087 0.000 0.435 369 R C 1.245 177.665 176.300 0.200 0.000 1.059 369 R CA -0.210 55.962 56.100 0.120 0.000 1.073 369 R CB -0.197 30.154 30.300 0.086 0.000 1.401 369 R HN 0.242 nan 8.270 nan 0.000 0.590 370 F N 1.530 121.526 119.950 0.076 0.000 2.186 370 F HA -0.011 4.568 4.527 0.086 0.000 0.299 370 F C 2.174 178.068 175.800 0.156 0.000 1.090 370 F CA 1.498 59.576 58.000 0.131 0.000 1.307 370 F CB -0.036 39.014 39.000 0.083 0.000 1.019 370 F HN 0.167 nan 8.300 nan 0.000 0.489 371 S N -0.329 115.328 115.700 -0.071 0.000 2.368 371 S HA -0.266 4.256 4.470 0.087 0.000 0.225 371 S C 2.076 176.588 174.600 -0.147 0.000 1.030 371 S CA 1.563 59.644 58.200 -0.199 0.000 0.999 371 S CB -0.467 62.702 63.200 -0.052 0.000 0.844 371 S HN 0.581 nan 8.310 nan 0.000 0.459 372 Q N 0.261 120.042 119.800 -0.031 0.000 2.079 372 Q HA -0.056 4.336 4.340 0.087 0.000 0.200 372 Q C 1.734 177.732 176.000 -0.003 0.000 0.974 372 Q CA 1.855 57.656 55.803 -0.004 0.000 0.840 372 Q CB -0.801 27.961 28.738 0.040 0.000 0.898 372 Q HN 0.627 nan 8.270 nan 0.000 0.430 373 F N 0.408 120.311 119.950 -0.079 0.000 2.126 373 F HA -0.111 4.468 4.527 0.086 0.000 0.299 373 F C 1.874 177.635 175.800 -0.064 0.000 1.096 373 F CA 1.642 59.612 58.000 -0.049 0.000 1.255 373 F CB -0.814 38.191 39.000 0.007 0.000 0.997 373 F HN 0.135 nan 8.300 nan 0.000 0.479 374 A N 0.045 122.596 122.820 -0.447 0.000 1.883 374 A HA -0.280 4.092 4.320 0.087 0.000 0.217 374 A C 2.292 179.740 177.584 -0.227 0.000 1.186 374 A CA 1.879 53.641 52.037 -0.458 0.000 0.624 374 A CB -1.142 17.540 19.000 -0.531 0.000 0.822 374 A HN 0.628 nan 8.150 nan 0.000 0.444 375 Q N -0.542 119.155 119.800 -0.173 0.000 2.050 375 Q HA -0.231 4.161 4.340 0.087 0.000 0.202 375 Q C 1.372 177.327 176.000 -0.076 0.000 0.980 375 Q CA 1.883 57.637 55.803 -0.082 0.000 0.840 375 Q CB -0.177 28.526 28.738 -0.059 0.000 0.898 375 Q HN 0.617 nan 8.270 nan 0.000 0.424 376 D N -0.024 120.310 120.400 -0.110 0.000 2.117 376 D HA -0.164 4.528 4.640 0.087 0.000 0.197 376 D C 1.577 177.802 176.300 -0.126 0.000 0.987 376 D CA 0.908 54.853 54.000 -0.092 0.000 0.829 376 D CB -0.464 40.298 40.800 -0.063 0.000 0.961 376 D HN 0.283 nan 8.370 nan 0.000 0.460 377 F N 2.190 121.896 119.950 -0.406 0.000 2.069 377 F HA -0.179 4.399 4.527 0.086 0.000 0.298 377 F C 2.283 178.008 175.800 -0.126 0.000 1.113 377 F CA 1.571 59.355 58.000 -0.360 0.000 1.214 377 F CB -0.099 38.480 39.000 -0.701 0.000 0.978 377 F HN -0.209 nan 8.300 nan 0.000 0.474 378 R N 0.355 120.719 120.500 -0.226 0.000 2.081 378 R HA -0.126 4.266 4.340 0.087 0.000 0.235 378 R C 2.496 178.808 176.300 0.019 0.000 1.131 378 R CA 1.253 57.306 56.100 -0.077 0.000 0.960 378 R CB -1.034 29.419 30.300 0.255 0.000 0.856 378 R HN 0.437 nan 8.270 nan 0.000 0.436 379 A N 1.177 123.995 122.820 -0.003 0.000 1.908 379 A HA -0.192 4.180 4.320 0.087 0.000 0.218 379 A C 2.175 179.752 177.584 -0.012 0.000 1.181 379 A CA 1.282 53.333 52.037 0.023 0.000 0.627 379 A CB -0.400 18.602 19.000 0.002 0.000 0.818 379 A HN 0.162 nan 8.150 nan 0.000 0.445 380 R N -2.512 117.939 120.500 -0.081 0.000 2.066 380 R HA -0.053 4.339 4.340 0.087 0.000 0.224 380 R C 2.068 178.287 176.300 -0.134 0.000 1.122 380 R CA 1.322 57.382 56.100 -0.066 0.000 0.974 380 R CB -0.479 29.811 30.300 -0.016 0.000 0.871 380 R HN 0.621 nan 8.270 nan 0.000 0.435 381 Y N 0.159 120.154 120.300 -0.508 0.000 2.256 381 Y HA -0.168 4.433 4.550 0.085 0.000 0.288 381 Y C 0.130 175.633 175.900 -0.662 0.000 1.155 381 Y CA 1.246 58.911 58.100 -0.724 0.000 1.203 381 Y CB 0.065 37.663 38.460 -1.436 0.000 0.980 381 Y HN -0.126 nan 8.280 nan 0.000 0.530 382 F N 0.000 119.912 119.950 -0.063 0.000 2.286 382 F HA 0.000 4.580 4.527 0.088 0.000 0.279 382 F CA 0.000 57.966 58.000 -0.057 0.000 1.383 382 F CB 0.000 39.000 39.000 0.000 0.000 1.145 382 F HN 0.000 nan 8.300 nan 0.000 0.574