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 1y5w_1_A DATA FIRST_RESID 11 DATA SEQUENCE RPRFSFSIAA REGKARTGTI EMKRGVIRTP AFMPVGTAAT VKALKPETVR DATA SEQUENCE ATGADIILGN TYHLMLRPGA ERIAKLGGLH SFMGWDRPIL TDSGGYQVXX DATA SEQUENCE XXXXTKQSEE 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 30.298 30.300 -0.004 0.000 0.687 12 P HA 0.137 nan 4.420 nan 0.000 0.274 12 P C -0.139 177.212 177.300 0.084 0.000 1.246 12 P CA -0.424 62.709 63.100 0.053 0.000 0.795 12 P CB 0.775 32.509 31.700 0.056 0.000 1.006 13 R N 0.221 120.793 120.500 0.120 0.000 2.096 13 R HA -0.114 4.278 4.340 0.086 0.000 0.240 13 R C -0.283 176.189 176.300 0.287 0.000 1.139 13 R CA 1.380 57.586 56.100 0.177 0.000 0.952 13 R CB -0.163 30.245 30.300 0.179 0.000 0.854 13 R HN 0.535 nan 8.270 nan 0.000 0.436 14 F N -0.660 119.347 119.950 0.095 0.000 2.670 14 F HA 0.280 4.858 4.527 0.085 0.000 0.332 14 F C -1.619 174.248 175.800 0.112 0.000 1.179 14 F CA -0.557 57.512 58.000 0.115 0.000 1.076 14 F CB 1.937 41.022 39.000 0.141 0.000 1.322 14 F HN -0.135 nan 8.300 nan 0.000 0.515 15 S N 6.597 122.137 115.700 -0.265 0.000 2.720 15 S HA 0.530 5.052 4.470 0.086 0.000 0.278 15 S C -1.902 172.556 174.600 -0.236 0.000 1.172 15 S CA -0.367 57.752 58.200 -0.135 0.000 1.019 15 S CB 0.504 63.680 63.200 -0.040 0.000 1.049 15 S HN 0.546 nan 8.310 nan 0.000 0.483 16 F N 4.633 124.399 119.950 -0.307 0.000 2.404 16 F HA 0.726 5.304 4.527 0.085 0.000 0.354 16 F C -0.289 175.456 175.800 -0.092 0.000 1.122 16 F CA -0.433 57.440 58.000 -0.212 0.000 1.080 16 F CB 1.322 40.263 39.000 -0.098 0.000 1.131 16 F HN 0.445 nan 8.300 nan 0.000 0.471 17 S N 7.030 122.418 115.700 -0.520 0.000 2.502 17 S HA 0.592 5.114 4.470 0.086 0.000 0.304 17 S C -0.496 173.680 174.600 -0.705 0.000 1.097 17 S CA -0.647 57.245 58.200 -0.514 0.000 1.045 17 S CB 1.370 64.421 63.200 -0.249 0.000 1.019 17 S HN 0.519 nan 8.310 nan 0.000 0.481 18 I N 2.709 122.913 120.570 -0.610 0.000 2.304 18 I HA 0.308 4.530 4.170 0.086 0.000 0.291 18 I C 1.051 177.024 176.117 -0.240 0.000 1.018 18 I CA -0.427 60.603 61.300 -0.450 0.000 1.260 18 I CB 1.341 39.121 38.000 -0.367 0.000 1.390 18 I HN 0.852 nan 8.210 nan 0.000 0.475 19 A N 5.408 128.119 122.820 -0.181 0.000 2.044 19 A HA 0.640 5.011 4.320 0.086 0.000 0.213 19 A C 0.931 178.461 177.584 -0.089 0.000 1.169 19 A CA 0.737 52.703 52.037 -0.119 0.000 0.724 19 A CB 0.214 19.155 19.000 -0.098 0.000 0.840 19 A HN 0.743 nan 8.150 nan 0.000 0.463 20 A N -0.998 121.771 122.820 -0.086 0.000 2.612 20 A HA 0.746 5.117 4.320 0.086 0.000 0.293 20 A C -0.804 176.749 177.584 -0.052 0.000 1.075 20 A CA -0.742 51.260 52.037 -0.059 0.000 0.680 20 A CB 1.057 20.026 19.000 -0.051 0.000 1.279 20 A HN 0.266 nan 8.150 nan 0.000 0.411 21 R N 0.132 120.615 120.500 -0.028 0.000 2.740 21 R HA 0.699 5.091 4.340 0.086 0.000 0.273 21 R C -1.385 174.927 176.300 0.020 0.000 0.998 21 R CA -0.665 55.429 56.100 -0.009 0.000 0.900 21 R CB 2.609 32.908 30.300 -0.002 0.000 1.223 21 R HN 0.787 nan 8.270 nan 0.000 0.466 22 E N 1.026 121.255 120.200 0.048 0.000 2.317 22 E HA 0.338 4.740 4.350 0.086 0.000 0.270 22 E C -0.032 176.638 176.600 0.116 0.000 0.899 22 E CA 0.108 56.563 56.400 0.093 0.000 0.814 22 E CB 1.316 31.105 29.700 0.149 0.000 1.296 22 E HN 0.781 nan 8.360 nan 0.000 0.404 23 G N 4.552 113.404 108.800 0.087 0.000 2.583 23 G HA2 -0.393 3.618 3.960 0.086 0.000 0.292 23 G HA3 -0.393 3.618 3.960 0.086 0.000 0.292 23 G C 0.592 175.540 174.900 0.079 0.000 1.203 23 G CA 0.526 45.677 45.100 0.084 0.000 0.987 23 G HN 0.593 nan 8.290 nan 0.000 0.554 24 K N 1.341 121.795 120.400 0.090 0.000 2.418 24 K HA 0.483 4.854 4.320 0.086 0.000 0.195 24 K C 1.389 178.045 176.600 0.094 0.000 1.035 24 K CA 0.546 56.885 56.287 0.087 0.000 1.003 24 K CB 0.173 32.720 32.500 0.079 0.000 0.793 24 K HN 0.767 nan 8.250 nan 0.000 0.494 25 A N 1.814 124.695 122.820 0.102 0.000 2.371 25 A HA 0.429 4.800 4.320 0.086 0.000 0.257 25 A C -0.363 177.213 177.584 -0.013 0.000 1.089 25 A CA -0.234 51.821 52.037 0.030 0.000 0.794 25 A CB 0.356 19.338 19.000 -0.031 0.000 1.029 25 A HN 0.156 nan 8.150 nan 0.000 0.488 26 R N -0.188 120.287 120.500 -0.043 0.000 2.725 26 R HA 0.739 5.130 4.340 0.086 0.000 0.277 26 R C -0.704 175.562 176.300 -0.056 0.000 0.987 26 R CA -0.420 55.661 56.100 -0.032 0.000 0.901 26 R CB 2.043 32.355 30.300 0.022 0.000 1.207 26 R HN 0.689 nan 8.270 nan 0.000 0.463 27 T N -0.194 114.321 114.554 -0.066 0.000 2.912 27 T HA 0.830 5.231 4.350 0.086 0.000 0.299 27 T C -0.511 174.148 174.700 -0.069 0.000 1.052 27 T CA 0.075 62.140 62.100 -0.058 0.000 0.996 27 T CB 1.486 70.299 68.868 -0.092 0.000 1.070 27 T HN 0.756 nan 8.240 nan 0.000 0.465 28 G N 1.880 110.658 108.800 -0.035 0.000 2.512 28 G HA2 0.607 4.619 3.960 0.086 0.000 0.186 28 G HA3 0.607 4.619 3.960 0.086 0.000 0.186 28 G C -0.857 174.037 174.900 -0.011 0.000 1.189 28 G CA 0.099 45.144 45.100 -0.090 0.000 0.994 28 G HN 1.234 nan 8.290 nan 0.000 0.506 29 T N -1.487 113.051 114.554 -0.028 0.000 2.933 29 T HA 0.696 5.097 4.350 0.086 0.000 0.305 29 T C -1.020 173.741 174.700 0.101 0.000 1.092 29 T CA -0.508 61.610 62.100 0.030 0.000 1.008 29 T CB 1.843 70.694 68.868 -0.028 0.000 1.102 29 T HN 0.614 nan 8.240 nan 0.000 0.469 30 I N 2.047 122.660 120.570 0.072 0.000 2.355 30 I HA 0.351 4.573 4.170 0.086 0.000 0.288 30 I C 0.091 176.141 176.117 -0.112 0.000 0.999 30 I CA -0.716 60.546 61.300 -0.063 0.000 1.163 30 I CB 1.426 39.350 38.000 -0.125 0.000 1.316 30 I HN 0.655 nan 8.210 nan 0.000 0.454 31 E N 7.591 127.698 120.200 -0.155 0.000 2.197 31 E HA 0.614 5.016 4.350 0.086 0.000 0.281 31 E C -0.738 175.811 176.600 -0.085 0.000 0.995 31 E CA -0.420 55.925 56.400 -0.091 0.000 0.808 31 E CB 1.750 31.411 29.700 -0.064 0.000 1.093 31 E HN 0.481 nan 8.360 nan 0.000 0.394 32 M N 1.475 121.066 119.600 -0.015 0.000 2.667 32 M HA 0.303 4.834 4.480 0.086 0.000 0.286 32 M C 0.651 176.972 176.300 0.034 0.000 1.270 32 M CA -0.860 54.468 55.300 0.048 0.000 0.826 32 M CB 1.808 34.465 32.600 0.095 0.000 1.743 32 M HN 0.256 nan 8.290 nan 0.000 0.460 33 K N 0.261 120.689 120.400 0.046 0.000 2.103 33 K HA -0.064 4.307 4.320 0.086 0.000 0.207 33 K C 1.454 178.044 176.600 -0.016 0.000 1.048 33 K CA 1.490 57.785 56.287 0.014 0.000 0.930 33 K CB 0.024 32.533 32.500 0.014 0.000 0.716 33 K HN 0.430 nan 8.250 nan 0.000 0.444 34 R N -0.040 120.449 120.500 -0.019 0.000 2.310 34 R HA 0.090 4.481 4.340 0.086 0.000 0.202 34 R C 0.351 176.622 176.300 -0.049 0.000 0.933 34 R CA 0.223 56.289 56.100 -0.057 0.000 1.054 34 R CB 0.748 30.998 30.300 -0.082 0.000 0.985 34 R HN 0.243 nan 8.270 nan 0.000 0.489 35 G N -0.656 108.130 108.800 -0.022 0.000 2.368 35 G HA2 0.014 4.025 3.960 0.086 0.000 0.302 35 G HA3 0.014 4.025 3.960 0.086 0.000 0.302 35 G C -1.554 173.341 174.900 -0.008 0.000 1.329 35 G CA -1.036 44.048 45.100 -0.026 0.000 0.935 35 G HN -0.092 nan 8.290 nan 0.000 0.590 36 V N 0.425 120.333 119.914 -0.011 0.000 2.481 36 V HA 0.625 4.797 4.120 0.086 0.000 0.286 36 V C 0.263 176.365 176.094 0.014 0.000 1.042 36 V CA -0.457 61.839 62.300 -0.007 0.000 0.928 36 V CB 1.370 33.184 31.823 -0.015 0.000 0.986 36 V HN 0.592 nan 8.190 nan 0.000 0.462 37 I N 4.857 125.438 120.570 0.018 0.000 2.355 37 I HA 0.464 4.685 4.170 0.086 0.000 0.288 37 I C 0.282 176.424 176.117 0.042 0.000 0.999 37 I CA -0.471 60.852 61.300 0.038 0.000 1.163 37 I CB 1.240 39.260 38.000 0.034 0.000 1.316 37 I HN 0.492 nan 8.210 nan 0.000 0.454 38 R N 3.960 124.487 120.500 0.045 0.000 2.389 38 R HA 0.381 4.773 4.340 0.086 0.000 0.295 38 R C 0.018 176.355 176.300 0.061 0.000 1.075 38 R CA -0.220 55.905 56.100 0.042 0.000 1.005 38 R CB 0.848 31.164 30.300 0.028 0.000 0.987 38 R HN 0.662 nan 8.270 nan 0.000 0.452 39 T N 0.597 115.196 114.554 0.074 0.000 2.885 39 T HA 0.466 4.867 4.350 0.086 0.000 0.285 39 T C -2.609 172.123 174.700 0.054 0.000 1.019 39 T CA -2.877 59.279 62.100 0.093 0.000 1.010 39 T CB 2.112 71.077 68.868 0.161 0.000 1.022 39 T HN 0.192 nan 8.240 nan 0.000 0.466 40 P HA 0.400 nan 4.420 nan 0.000 0.268 40 P C -0.999 176.400 177.300 0.165 0.000 1.204 40 P CA -0.153 63.026 63.100 0.131 0.000 0.768 40 P CB 0.331 32.137 31.700 0.177 0.000 0.842 41 A N 3.497 126.443 122.820 0.211 0.000 2.350 41 A HA 0.677 5.049 4.320 0.086 0.000 0.324 41 A C -1.390 176.388 177.584 0.323 0.000 1.118 41 A CA -0.499 51.654 52.037 0.193 0.000 0.783 41 A CB 0.519 19.567 19.000 0.081 0.000 1.236 41 A HN 0.469 nan 8.150 nan 0.000 0.457 42 F N 2.456 122.496 119.950 0.150 0.000 2.444 42 F HA 0.656 5.232 4.527 0.081 0.000 0.342 42 F C -0.255 175.580 175.800 0.059 0.000 1.121 42 F CA -0.853 57.239 58.000 0.153 0.000 0.997 42 F CB 1.551 40.641 39.000 0.150 0.000 1.130 42 F HN 0.484 nan 8.300 nan 0.000 0.454 43 M N 8.495 127.624 119.600 -0.785 0.000 2.047 43 M HA 0.342 4.874 4.480 0.086 0.000 0.342 43 M C -2.502 173.346 176.300 -0.753 0.000 1.058 43 M CA -1.847 53.107 55.300 -0.576 0.000 0.991 43 M CB 1.010 33.342 32.600 -0.445 0.000 1.474 43 M HN 0.303 nan 8.290 nan 0.000 0.419 44 P HA 0.062 nan 4.420 nan 0.000 0.267 44 P C -0.700 176.422 177.300 -0.296 0.000 1.200 44 P CA -0.164 62.789 63.100 -0.245 0.000 0.772 44 P CB 0.592 32.205 31.700 -0.145 0.000 0.855 45 V N 2.881 122.663 119.914 -0.220 0.000 2.472 45 V HA 0.626 4.797 4.120 0.086 0.000 0.290 45 V C 0.837 176.816 176.094 -0.190 0.000 1.037 45 V CA -0.240 61.936 62.300 -0.206 0.000 0.908 45 V CB 1.567 33.294 31.823 -0.160 0.000 0.985 45 V HN 0.712 nan 8.190 nan 0.000 0.454 46 G N 1.160 109.837 108.800 -0.205 0.000 2.533 46 G HA2 0.423 4.434 3.960 0.086 0.000 0.310 46 G HA3 0.423 4.434 3.960 0.086 0.000 0.310 46 G C 0.410 175.201 174.900 -0.182 0.000 1.266 46 G CA 0.049 45.037 45.100 -0.186 0.000 0.967 46 G HN 0.664 nan 8.290 nan 0.000 0.493 47 T N 1.278 115.709 114.554 -0.205 0.000 3.054 47 T HA 0.303 4.704 4.350 0.086 0.000 0.259 47 T C 1.471 175.991 174.700 -0.300 0.000 1.092 47 T CA 1.363 63.248 62.100 -0.358 0.000 1.121 47 T CB -0.020 68.530 68.868 -0.530 0.000 0.912 47 T HN 0.730 nan 8.240 nan 0.000 0.489 48 A N 0.039 122.788 122.820 -0.119 0.000 3.308 48 A HA 0.744 5.116 4.320 0.086 0.000 0.275 48 A C 0.793 178.393 177.584 0.026 0.000 0.950 48 A CA 0.276 52.316 52.037 0.006 0.000 0.987 48 A CB -0.533 18.501 19.000 0.056 0.000 1.146 48 A HN 1.007 nan 8.150 nan 0.000 0.488 49 A N -0.571 122.255 122.820 0.009 0.000 2.869 49 A HA -0.026 4.345 4.320 0.086 0.000 0.280 49 A C 0.569 178.129 177.584 -0.041 0.000 1.458 49 A CA 1.621 53.675 52.037 0.028 0.000 0.776 49 A CB -2.172 16.944 19.000 0.193 0.000 1.028 49 A HN 2.259 nan 8.150 nan 0.000 0.547 50 T N -1.545 112.965 114.554 -0.075 0.000 3.012 50 T HA 0.498 4.899 4.350 0.086 0.000 0.330 50 T C -0.565 174.068 174.700 -0.112 0.000 1.321 50 T CA 0.244 62.289 62.100 -0.090 0.000 1.067 50 T CB 1.428 70.253 68.868 -0.072 0.000 1.235 50 T HN 1.183 nan 8.240 nan 0.000 0.479 51 V N 5.876 125.715 119.914 -0.126 0.000 2.439 51 V HA 0.288 4.459 4.120 0.086 0.000 0.271 51 V C 0.862 176.908 176.094 -0.080 0.000 1.040 51 V CA -0.370 61.854 62.300 -0.126 0.000 1.002 51 V CB 0.296 32.027 31.823 -0.153 0.000 1.000 51 V HN 0.803 nan 8.190 nan 0.000 0.477 52 K N 4.314 124.671 120.400 -0.071 0.000 2.472 52 K HA 0.270 4.642 4.320 0.086 0.000 0.280 52 K C 1.103 177.680 176.600 -0.040 0.000 1.028 52 K CA 0.829 57.085 56.287 -0.052 0.000 1.045 52 K CB 0.230 32.703 32.500 -0.046 0.000 0.902 52 K HN 1.069 nan 8.250 nan 0.000 0.478 53 A N 2.502 125.301 122.820 -0.036 0.000 3.021 53 A HA -0.187 4.185 4.320 0.086 0.000 0.257 53 A C -0.223 177.350 177.584 -0.019 0.000 1.277 53 A CA 0.736 52.755 52.037 -0.030 0.000 1.012 53 A CB -2.062 16.917 19.000 -0.034 0.000 1.147 53 A HN 0.561 nan 8.150 nan 0.000 0.861 54 L N -0.518 120.695 121.223 -0.015 0.000 2.385 54 L HA 0.452 4.843 4.340 0.086 0.000 0.273 54 L C 0.407 177.282 176.870 0.009 0.000 0.990 54 L CA -0.891 53.952 54.840 0.005 0.000 0.821 54 L CB 1.854 43.919 42.059 0.010 0.000 1.279 54 L HN 0.237 nan 8.230 nan 0.000 0.412 55 K N 3.107 123.525 120.400 0.029 0.000 2.414 55 K HA 0.099 4.470 4.320 0.086 0.000 0.272 55 K C -1.474 175.177 176.600 0.086 0.000 0.993 55 K CA -1.304 55.010 56.287 0.045 0.000 0.964 55 K CB 0.808 33.338 32.500 0.051 0.000 0.925 55 K HN 0.305 nan 8.250 nan 0.000 0.487 56 P HA -0.246 nan 4.420 nan 0.000 0.218 56 P C 0.854 178.322 177.300 0.281 0.000 1.148 56 P CA 1.457 64.715 63.100 0.264 0.000 0.822 56 P CB 0.038 31.942 31.700 0.339 0.000 0.784 57 E N -0.345 119.953 120.200 0.163 0.000 2.153 57 E HA -0.132 4.270 4.350 0.086 0.000 0.194 57 E C 1.314 177.995 176.600 0.135 0.000 0.988 57 E CA 1.460 57.935 56.400 0.125 0.000 0.811 57 E CB -1.346 28.401 29.700 0.077 0.000 0.746 57 E HN 0.140 nan 8.360 nan 0.000 0.466 58 T N 1.169 115.800 114.554 0.129 0.000 2.812 58 T HA -0.056 4.346 4.350 0.086 0.000 0.264 58 T C 2.104 176.888 174.700 0.141 0.000 1.042 58 T CA 1.167 63.340 62.100 0.121 0.000 1.140 58 T CB -0.169 68.758 68.868 0.097 0.000 0.870 58 T HN 0.038 nan 8.240 nan 0.000 0.445 59 V N 1.956 121.966 119.914 0.159 0.000 2.287 59 V HA -0.196 3.975 4.120 0.086 0.000 0.248 59 V C 2.671 178.927 176.094 0.271 0.000 1.053 59 V CA 1.767 64.165 62.300 0.163 0.000 1.027 59 V CB -0.598 31.271 31.823 0.076 0.000 0.646 59 V HN 0.260 nan 8.190 nan 0.000 0.447 60 R N 1.179 121.909 120.500 0.384 0.000 2.081 60 R HA -0.062 4.329 4.340 0.086 0.000 0.235 60 R C 2.111 178.512 176.300 0.168 0.000 1.131 60 R CA 1.870 58.146 56.100 0.293 0.000 0.960 60 R CB -1.034 29.352 30.300 0.144 0.000 0.856 60 R HN 0.444 nan 8.270 nan 0.000 0.436 61 A N -0.465 122.439 122.820 0.140 0.000 2.019 61 A HA -0.133 4.238 4.320 0.086 0.000 0.219 61 A C 2.059 179.712 177.584 0.115 0.000 1.164 61 A CA 1.897 53.999 52.037 0.109 0.000 0.644 61 A CB -1.086 17.976 19.000 0.103 0.000 0.805 61 A HN 0.630 nan 8.150 nan 0.000 0.449 62 T N -4.424 110.208 114.554 0.130 0.000 3.035 62 T HA 0.329 4.731 4.350 0.086 0.000 0.268 62 T C 1.402 176.174 174.700 0.120 0.000 1.109 62 T CA 1.359 63.533 62.100 0.124 0.000 1.119 62 T CB -0.069 68.871 68.868 0.120 0.000 0.900 62 T HN 1.648 nan 8.240 nan 0.000 0.503 63 G N 0.653 109.531 108.800 0.129 0.000 2.192 63 G HA2 0.102 4.113 3.960 0.086 0.000 0.193 63 G HA3 0.102 4.113 3.960 0.086 0.000 0.193 63 G C 0.220 175.210 174.900 0.150 0.000 0.999 63 G CA -0.185 44.986 45.100 0.119 0.000 0.659 63 G HN 1.079 nan 8.290 nan 0.000 0.503 64 A N 0.271 123.210 122.820 0.198 0.000 2.477 64 A HA 0.550 4.921 4.320 0.086 0.000 0.246 64 A C 0.988 178.758 177.584 0.310 0.000 1.078 64 A CA 0.895 53.071 52.037 0.231 0.000 0.770 64 A CB 0.331 19.450 19.000 0.199 0.000 1.011 64 A HN 0.159 nan 8.150 nan 0.000 0.494 65 D N 0.448 120.997 120.400 0.248 0.000 2.392 65 D HA 0.216 4.907 4.640 0.086 0.000 0.206 65 D C 0.109 176.618 176.300 0.348 0.000 1.046 65 D CA 0.783 54.925 54.000 0.235 0.000 0.865 65 D CB 0.501 41.376 40.800 0.125 0.000 0.969 65 D HN 0.556 nan 8.370 nan 0.000 0.509 66 I N 0.669 121.431 120.570 0.319 0.000 2.841 66 I HA 0.297 4.518 4.170 0.086 0.000 0.298 66 I C -1.715 174.361 176.117 -0.068 0.000 1.304 66 I CA -0.977 60.461 61.300 0.231 0.000 1.019 66 I CB 2.262 40.304 38.000 0.070 0.000 1.282 66 I HN -0.226 nan 8.210 nan 0.000 0.432 67 I N 4.087 124.489 120.570 -0.280 0.000 2.957 67 I HA 0.586 4.807 4.170 0.086 0.000 0.310 67 I C -1.777 174.132 176.117 -0.347 0.000 1.063 67 I CA -0.980 60.031 61.300 -0.481 0.000 1.033 67 I CB 2.094 39.580 38.000 -0.857 0.000 1.230 67 I HN 0.616 nan 8.210 nan 0.000 0.447 68 L N 3.151 124.182 121.223 -0.320 0.000 2.287 68 L HA 0.773 5.165 4.340 0.086 0.000 0.287 68 L C 0.142 176.888 176.870 -0.206 0.000 1.022 68 L CA -0.059 54.638 54.840 -0.238 0.000 0.814 68 L CB 1.115 43.043 42.059 -0.219 0.000 1.217 68 L HN 0.903 nan 8.230 nan 0.000 0.420 69 G N 2.911 111.615 108.800 -0.159 0.000 2.389 69 G HA2 0.193 4.205 3.960 0.086 0.000 0.317 69 G HA3 0.193 4.205 3.960 0.086 0.000 0.317 69 G C -0.640 174.222 174.900 -0.064 0.000 1.137 69 G CA -0.610 44.415 45.100 -0.124 0.000 0.870 69 G HN 0.719 nan 8.290 nan 0.000 0.496 70 N N 1.433 120.107 118.700 -0.044 0.000 2.719 70 N HA 0.067 4.859 4.740 0.086 0.000 0.243 70 N C 1.235 176.812 175.510 0.112 0.000 1.104 70 N CA -0.191 52.869 53.050 0.018 0.000 0.981 70 N CB 0.866 39.346 38.487 -0.011 0.000 1.290 70 N HN 0.428 nan 8.380 nan 0.000 0.513 71 T N 1.336 115.968 114.554 0.131 0.000 2.652 71 T HA -0.213 4.188 4.350 0.086 0.000 0.267 71 T C 1.652 176.487 174.700 0.224 0.000 1.039 71 T CA 1.126 63.317 62.100 0.152 0.000 1.153 71 T CB -0.442 68.516 68.868 0.151 0.000 0.863 71 T HN 0.548 nan 8.240 nan 0.000 0.428 72 Y N 2.090 122.479 120.300 0.149 0.000 2.069 72 Y HA -0.322 4.279 4.550 0.085 0.000 0.278 72 Y C 2.414 178.398 175.900 0.140 0.000 1.175 72 Y CA 1.861 60.044 58.100 0.137 0.000 1.134 72 Y CB -0.868 37.666 38.460 0.123 0.000 0.965 72 Y HN 0.396 nan 8.280 nan 0.000 0.498 73 H N -0.725 118.326 119.070 -0.033 0.000 2.389 73 H HA -0.068 4.540 4.556 0.087 0.000 0.299 73 H C 2.298 177.588 175.328 -0.064 0.000 1.081 73 H CA 1.865 57.842 56.048 -0.119 0.000 1.345 73 H CB -0.552 29.197 29.762 -0.022 0.000 1.393 73 H HN 0.358 nan 8.280 nan 0.000 0.520 74 L N 0.220 121.516 121.223 0.122 0.000 2.109 74 L HA -0.102 4.289 4.340 0.086 0.000 0.207 74 L C 2.426 179.308 176.870 0.021 0.000 1.086 74 L CA 1.058 55.936 54.840 0.063 0.000 0.760 74 L CB -0.410 41.679 42.059 0.051 0.000 0.910 74 L HN 0.386 nan 8.230 nan 0.000 0.437 75 M N -1.249 118.372 119.600 0.035 0.000 2.374 75 M HA -0.128 4.403 4.480 0.086 0.000 0.264 75 M C 1.791 178.087 176.300 -0.006 0.000 1.067 75 M CA 1.767 57.081 55.300 0.024 0.000 1.103 75 M CB -0.259 32.385 32.600 0.074 0.000 1.402 75 M HN 0.177 nan 8.290 nan 0.000 0.444 76 L N 0.725 121.926 121.223 -0.037 0.000 2.145 76 L HA 0.124 4.516 4.340 0.086 0.000 0.201 76 L C 0.786 177.625 176.870 -0.051 0.000 1.075 76 L CA 0.500 55.300 54.840 -0.067 0.000 0.773 76 L CB 0.054 42.017 42.059 -0.159 0.000 0.936 76 L HN 0.409 nan 8.230 nan 0.000 0.451 77 R N -1.054 119.425 120.500 -0.035 0.000 2.510 77 R HA 0.315 4.707 4.340 0.086 0.000 0.287 77 R C -2.661 173.660 176.300 0.035 0.000 1.084 77 R CA -1.424 54.674 56.100 -0.002 0.000 0.934 77 R CB 0.822 31.123 30.300 0.003 0.000 1.201 77 R HN -0.289 nan 8.270 nan 0.000 0.431 78 P HA 0.123 nan 4.420 nan 0.000 0.245 78 P C -0.081 177.186 177.300 -0.055 0.000 1.206 78 P CA 0.553 63.647 63.100 -0.011 0.000 0.781 78 P CB 0.628 32.302 31.700 -0.044 0.000 0.994 79 G N -0.296 108.468 108.800 -0.060 0.000 3.055 79 G HA2 0.111 4.122 3.960 0.086 0.000 0.685 79 G HA3 0.111 4.122 3.960 0.086 0.000 0.685 79 G C 0.646 175.492 174.900 -0.089 0.000 1.212 79 G CA -0.411 44.650 45.100 -0.066 0.000 0.822 79 G HN 0.149 nan 8.290 nan 0.000 0.610 80 A N 1.332 124.115 122.820 -0.062 0.000 1.898 80 A HA 0.150 4.521 4.320 0.086 0.000 0.216 80 A C 2.086 179.619 177.584 -0.085 0.000 1.181 80 A CA 2.390 54.387 52.037 -0.066 0.000 0.620 80 A CB -0.333 18.648 19.000 -0.031 0.000 0.819 80 A HN 0.852 nan 8.150 nan 0.000 0.442 81 E N -0.482 119.676 120.200 -0.070 0.000 2.110 81 E HA -0.158 4.243 4.350 0.086 0.000 0.193 81 E C 2.142 178.687 176.600 -0.091 0.000 0.988 81 E CA 1.322 57.682 56.400 -0.067 0.000 0.804 81 E CB -0.236 29.434 29.700 -0.050 0.000 0.745 81 E HN 0.623 nan 8.360 nan 0.000 0.458 82 R N 0.379 120.815 120.500 -0.108 0.000 2.073 82 R HA -0.093 4.299 4.340 0.086 0.000 0.234 82 R C 2.202 178.373 176.300 -0.215 0.000 1.134 82 R CA 1.394 57.412 56.100 -0.137 0.000 0.952 82 R CB -0.346 29.874 30.300 -0.134 0.000 0.850 82 R HN 0.179 nan 8.270 nan 0.000 0.433 83 I N 0.824 121.222 120.570 -0.288 0.000 2.264 83 I HA -0.262 3.959 4.170 0.086 0.000 0.248 83 I C 2.510 178.495 176.117 -0.221 0.000 1.111 83 I CA 1.262 62.325 61.300 -0.395 0.000 1.382 83 I CB -0.337 37.434 38.000 -0.382 0.000 1.060 83 I HN 0.362 nan 8.210 nan 0.000 0.418 84 A N 0.670 123.398 122.820 -0.152 0.000 1.902 84 A HA -0.215 4.156 4.320 0.086 0.000 0.217 84 A C 2.307 179.840 177.584 -0.085 0.000 1.181 84 A CA 1.490 53.461 52.037 -0.111 0.000 0.623 84 A CB -0.423 18.516 19.000 -0.102 0.000 0.818 84 A HN 0.297 nan 8.150 nan 0.000 0.443 85 K N -0.440 119.910 120.400 -0.084 0.000 2.103 85 K HA -0.053 4.318 4.320 0.086 0.000 0.207 85 K C 1.390 177.962 176.600 -0.047 0.000 1.048 85 K CA 1.260 57.512 56.287 -0.057 0.000 0.930 85 K CB -0.339 32.128 32.500 -0.054 0.000 0.716 85 K HN 0.488 nan 8.250 nan 0.000 0.444 86 L N -0.527 120.653 121.223 -0.072 0.000 2.591 86 L HA 0.081 4.472 4.340 0.086 0.000 0.228 86 L C 1.110 177.988 176.870 0.013 0.000 1.133 86 L CA 0.376 55.200 54.840 -0.026 0.000 0.880 86 L CB 0.208 42.236 42.059 -0.051 0.000 1.033 86 L HN 0.451 nan 8.230 nan 0.000 0.450 87 G N -0.855 107.939 108.800 -0.010 0.000 2.192 87 G HA2 0.010 4.021 3.960 0.086 0.000 0.193 87 G HA3 0.010 4.021 3.960 0.086 0.000 0.193 87 G C 0.524 175.442 174.900 0.031 0.000 0.999 87 G CA -0.309 44.803 45.100 0.019 0.000 0.659 87 G HN 0.763 nan 8.290 nan 0.000 0.503 88 G N -1.513 107.286 108.800 -0.001 0.000 2.699 88 G HA2 0.179 4.191 3.960 0.086 0.000 0.686 88 G HA3 0.179 4.191 3.960 0.086 0.000 0.686 88 G C 0.478 175.431 174.900 0.088 0.000 1.301 88 G CA -0.012 45.102 45.100 0.022 0.000 0.816 88 G HN 1.517 nan 8.290 nan 0.000 0.595 89 L N 0.328 121.597 121.223 0.076 0.000 2.083 89 L HA 0.073 4.465 4.340 0.086 0.000 0.209 89 L C 2.507 179.463 176.870 0.143 0.000 1.083 89 L CA 3.090 57.992 54.840 0.103 0.000 0.752 89 L CB -0.927 41.123 42.059 -0.014 0.000 0.899 89 L HN 0.755 nan 8.230 nan 0.000 0.433 90 H N -1.045 118.115 119.070 0.151 0.000 2.290 90 H HA -0.134 4.472 4.556 0.084 0.000 0.298 90 H C 2.468 177.885 175.328 0.148 0.000 1.087 90 H CA 2.156 58.304 56.048 0.167 0.000 1.291 90 H CB -0.353 29.480 29.762 0.118 0.000 1.369 90 H HN 0.555 nan 8.280 nan 0.000 0.492 91 S N -0.064 115.790 115.700 0.256 0.000 2.387 91 S HA -0.168 4.353 4.470 0.086 0.000 0.226 91 S C 2.056 176.776 174.600 0.201 0.000 1.026 91 S CA 0.734 59.042 58.200 0.180 0.000 0.972 91 S CB -0.629 62.651 63.200 0.132 0.000 0.814 91 S HN 0.328 nan 8.310 nan 0.000 0.477 92 F N 3.777 123.762 119.950 0.058 0.000 2.065 92 F HA -0.076 4.508 4.527 0.094 0.000 0.298 92 F C 2.366 178.190 175.800 0.040 0.000 1.112 92 F CA 2.048 60.070 58.000 0.036 0.000 1.212 92 F CB -0.466 38.546 39.000 0.020 0.000 0.975 92 F HN 0.351 nan 8.300 nan 0.000 0.476 93 M N -1.675 117.965 119.600 0.066 0.000 2.509 93 M HA 0.402 4.933 4.480 0.086 0.000 0.250 93 M C 1.346 177.668 176.300 0.038 0.000 1.132 93 M CA 1.034 56.304 55.300 -0.050 0.000 1.080 93 M CB 0.104 32.706 32.600 0.003 0.000 1.408 93 M HN 0.223 nan 8.290 nan 0.000 0.484 94 G N 1.333 110.197 108.800 0.106 0.000 2.149 94 G HA2 -0.234 3.778 3.960 0.086 0.000 0.235 94 G HA3 -0.234 3.778 3.960 0.086 0.000 0.235 94 G C -0.766 174.255 174.900 0.202 0.000 1.018 94 G CA 0.084 45.254 45.100 0.116 0.000 0.728 94 G HN 0.740 nan 8.290 nan 0.000 0.508 95 W N 1.878 123.204 121.300 0.044 0.000 2.362 95 W HA 0.510 5.211 4.660 0.068 0.000 0.316 95 W C 0.085 176.704 176.519 0.167 0.000 1.024 95 W CA -0.093 57.289 57.345 0.063 0.000 1.270 95 W CB 1.271 30.739 29.460 0.014 0.000 1.273 95 W HN 0.274 nan 8.180 nan 0.000 0.424 96 D N 3.585 123.823 120.400 -0.271 0.000 2.363 96 D HA 0.093 4.784 4.640 0.086 0.000 0.214 96 D C 0.362 176.505 176.300 -0.261 0.000 1.093 96 D CA 0.073 53.983 54.000 -0.151 0.000 0.837 96 D CB 0.332 41.038 40.800 -0.155 0.000 0.948 96 D HN 0.200 nan 8.370 nan 0.000 0.507 97 R N 0.159 120.309 120.500 -0.582 0.000 2.606 97 R HA 0.502 4.893 4.340 0.086 0.000 0.249 97 R C -2.441 174.019 176.300 0.267 0.000 1.127 97 R CA -2.017 53.905 56.100 -0.296 0.000 1.133 97 R CB 0.272 30.216 30.300 -0.593 0.000 1.243 97 R HN -0.037 nan 8.270 nan 0.000 0.558 98 P HA 0.021 nan 4.420 nan 0.000 0.267 98 P C -0.809 176.766 177.300 0.459 0.000 1.200 98 P CA 0.670 63.986 63.100 0.359 0.000 0.772 98 P CB 0.444 32.260 31.700 0.195 0.000 0.855 99 I N 2.489 123.240 120.570 0.302 0.000 2.466 99 I HA 0.342 4.564 4.170 0.086 0.000 0.289 99 I C -0.225 175.884 176.117 -0.013 0.000 1.026 99 I CA -0.904 60.429 61.300 0.055 0.000 1.078 99 I CB 1.770 39.706 38.000 -0.105 0.000 1.249 99 I HN 0.169 nan 8.210 nan 0.000 0.429 100 L N 6.691 127.846 121.223 -0.113 0.000 2.289 100 L HA 0.561 4.952 4.340 0.086 0.000 0.285 100 L C -0.011 176.786 176.870 -0.122 0.000 1.049 100 L CA -0.012 54.726 54.840 -0.169 0.000 0.804 100 L CB 1.312 43.186 42.059 -0.308 0.000 1.195 100 L HN 0.701 nan 8.230 nan 0.000 0.428 101 T N 0.019 114.530 114.554 -0.071 0.000 2.797 101 T HA 0.359 4.761 4.350 0.086 0.000 0.279 101 T C -0.320 174.385 174.700 0.008 0.000 0.991 101 T CA -0.909 61.176 62.100 -0.025 0.000 0.979 101 T CB 1.629 70.505 68.868 0.013 0.000 0.943 101 T HN 0.500 nan 8.240 nan 0.000 0.444 102 D N 0.921 121.339 120.400 0.029 0.000 2.371 102 D HA 0.209 4.900 4.640 0.086 0.000 0.242 102 D C 1.376 177.740 176.300 0.106 0.000 1.218 102 D CA -0.343 53.694 54.000 0.062 0.000 0.945 102 D CB 1.281 42.111 40.800 0.050 0.000 1.137 102 D HN 0.614 nan 8.370 nan 0.000 0.464 103 S N 0.011 115.793 115.700 0.136 0.000 2.524 103 S HA 0.253 4.774 4.470 0.086 0.000 0.216 103 S C 1.458 176.250 174.600 0.319 0.000 0.987 103 S CA 0.465 58.802 58.200 0.228 0.000 0.909 103 S CB 0.325 63.688 63.200 0.271 0.000 0.781 103 S HN 0.885 nan 8.310 nan 0.000 0.521 104 G N 0.489 109.434 108.800 0.242 0.000 2.131 104 G HA2 -0.125 3.886 3.960 0.086 0.000 0.223 104 G HA3 -0.125 3.886 3.960 0.086 0.000 0.223 104 G C 0.616 175.622 174.900 0.177 0.000 0.990 104 G CA -0.107 45.139 45.100 0.242 0.000 0.671 104 G HN 1.013 nan 8.290 nan 0.000 0.521 105 G N -1.340 107.485 108.800 0.041 0.000 3.233 105 G HA2 0.410 4.421 3.960 0.086 0.000 0.227 105 G HA3 0.410 4.421 3.960 0.086 0.000 0.227 105 G C 0.673 175.532 174.900 -0.069 0.000 1.175 105 G CA 1.279 46.251 45.100 -0.215 0.000 0.781 105 G HN 0.650 nan 8.290 nan 0.000 0.542 106 Y N -1.201 119.010 120.300 -0.149 0.000 3.012 106 Y HA 0.205 4.807 4.550 0.087 0.000 0.236 106 Y C 2.806 178.565 175.900 -0.235 0.000 1.017 106 Y CA 1.229 59.237 58.100 -0.153 0.000 1.364 106 Y CB 0.074 38.468 38.460 -0.110 0.000 1.491 106 Y HN 0.145 nan 8.280 nan 0.000 0.435 107 Q N 1.422 121.174 119.800 -0.081 0.000 2.167 107 Q HA 0.211 4.603 4.340 0.086 0.000 0.202 107 Q C 1.137 176.526 176.000 -1.018 0.000 0.970 107 Q CA 1.536 57.071 55.803 -0.446 0.000 0.855 107 Q CB -1.546 26.947 28.738 -0.408 0.000 0.911 107 Q HN 0.526 nan 8.270 nan 0.000 0.438 116 K N -0.729 119.753 120.400 0.137 0.000 2.487 116 K HA 0.733 5.105 4.320 0.086 0.000 0.307 116 K C -0.605 176.080 176.600 0.141 0.000 1.160 116 K CA 0.229 56.584 56.287 0.113 0.000 1.087 116 K CB 0.046 32.602 32.500 0.093 0.000 1.390 116 K HN 1.731 nan 8.250 nan 0.000 0.453 117 Q N 0.417 120.297 119.800 0.133 0.000 2.235 117 Q HA 0.896 5.287 4.340 0.086 0.000 0.250 117 Q C 0.492 176.594 176.000 0.170 0.000 0.909 117 Q CA -0.090 55.819 55.803 0.177 0.000 0.910 117 Q CB 0.980 29.808 28.738 0.150 0.000 1.223 117 Q HN 2.326 nan 8.270 nan 0.000 0.432 118 S N -1.246 114.596 115.700 0.237 0.000 2.688 118 S HA 0.445 4.967 4.470 0.086 0.000 0.275 118 S C 0.551 175.347 174.600 0.327 0.000 1.175 118 S CA 0.017 58.341 58.200 0.206 0.000 0.818 118 S CB 1.152 64.443 63.200 0.151 0.000 1.157 118 S HN 0.738 nan 8.310 nan 0.000 0.482 119 E N 0.507 120.864 120.200 0.262 0.000 2.268 119 E HA -0.084 4.317 4.350 0.086 0.000 0.195 119 E C 1.531 178.428 176.600 0.496 0.000 0.995 119 E CA 1.380 58.002 56.400 0.370 0.000 0.836 119 E CB -0.058 29.771 29.700 0.216 0.000 0.763 119 E HN 0.597 nan 8.360 nan 0.000 0.491 120 E N -0.378 119.992 120.200 0.283 0.000 2.208 120 E HA 0.015 4.417 4.350 0.086 0.000 0.193 120 E C 0.755 177.361 176.600 0.010 0.000 0.988 120 E CA 1.070 57.554 56.400 0.140 0.000 0.828 120 E CB 0.229 29.974 29.700 0.074 0.000 0.763 120 E HN 0.284 nan 8.360 nan 0.000 0.478 121 G N -0.562 108.301 108.800 0.105 0.000 2.334 121 G HA2 0.073 4.085 3.960 0.086 0.000 0.249 121 G HA3 0.073 4.085 3.960 0.086 0.000 0.249 121 G C -1.141 173.883 174.900 0.206 0.000 1.327 121 G CA -0.256 44.827 45.100 -0.028 0.000 0.979 121 G HN 0.388 nan 8.290 nan 0.000 0.471 122 V N -1.722 118.317 119.914 0.209 0.000 2.588 122 V HA 0.910 5.081 4.120 0.086 0.000 0.304 122 V C -0.152 176.124 176.094 0.303 0.000 1.042 122 V CA 0.142 62.615 62.300 0.288 0.000 0.877 122 V CB 1.151 33.180 31.823 0.344 0.000 0.996 122 V HN 1.372 nan 8.190 nan 0.000 0.425 123 T N 4.426 119.129 114.554 0.249 0.000 2.918 123 T HA 0.951 5.352 4.350 0.086 0.000 0.286 123 T C -0.560 174.325 174.700 0.309 0.000 1.026 123 T CA -0.352 61.850 62.100 0.170 0.000 1.031 123 T CB 1.681 70.567 68.868 0.031 0.000 1.046 123 T HN 1.402 nan 8.240 nan 0.000 0.479 135 L N 2.771 124.014 121.223 0.033 0.000 2.470 135 L HA 0.974 5.366 4.340 0.086 0.000 0.268 135 L C 0.083 176.705 176.870 -0.414 0.000 0.964 135 L CA -0.157 54.621 54.840 -0.103 0.000 0.839 135 L CB 2.192 44.341 42.059 0.150 0.000 1.276 135 L HN 1.744 nan 8.230 nan 0.000 0.403 136 S N 3.423 118.715 115.700 -0.680 0.000 2.667 136 S HA 0.751 5.273 4.470 0.086 0.000 0.292 136 S C -2.482 171.472 174.600 -1.077 0.000 1.126 136 S CA -1.361 56.361 58.200 -0.797 0.000 0.881 136 S CB 1.878 64.839 63.200 -0.399 0.000 1.132 136 S HN 0.385 nan 8.310 nan 0.000 0.492 137 P HA -0.104 nan 4.420 nan 0.000 0.216 137 P C 0.914 178.065 177.300 -0.247 0.000 1.153 137 P CA 1.477 64.338 63.100 -0.398 0.000 0.858 137 P CB 0.003 31.610 31.700 -0.154 0.000 0.789 138 E N -1.079 118.990 120.200 -0.219 0.000 2.072 138 E HA -0.177 4.224 4.350 0.086 0.000 0.191 138 E C 2.152 178.676 176.600 -0.128 0.000 0.985 138 E CA 1.015 57.343 56.400 -0.119 0.000 0.801 138 E CB -0.557 29.086 29.700 -0.095 0.000 0.750 138 E HN 0.019 nan 8.360 nan 0.000 0.452 139 R N 0.350 120.732 120.500 -0.195 0.000 2.090 139 R HA 0.032 4.423 4.340 0.086 0.000 0.228 139 R C 2.232 178.455 176.300 -0.129 0.000 1.110 139 R CA 1.555 57.565 56.100 -0.150 0.000 0.973 139 R CB -0.815 29.384 30.300 -0.169 0.000 0.869 139 R HN 0.137 nan 8.270 nan 0.000 0.440 140 S N -0.118 115.445 115.700 -0.229 0.000 2.356 140 S HA -0.060 4.462 4.470 0.086 0.000 0.223 140 S C 1.818 176.426 174.600 0.014 0.000 1.032 140 S CA 1.319 59.453 58.200 -0.110 0.000 1.005 140 S CB -0.225 62.861 63.200 -0.190 0.000 0.867 140 S HN 0.329 nan 8.310 nan 0.000 0.449 141 I N 1.866 122.450 120.570 0.023 0.000 2.286 141 I HA -0.088 4.134 4.170 0.086 0.000 0.248 141 I C 2.567 178.743 176.117 0.099 0.000 1.115 141 I CA 1.386 62.749 61.300 0.105 0.000 1.392 141 I CB -1.571 36.509 38.000 0.133 0.000 1.065 141 I HN 0.545 nan 8.210 nan 0.000 0.418 142 E N 1.283 121.509 120.200 0.044 0.000 2.077 142 E HA -0.196 4.205 4.350 0.086 0.000 0.193 142 E C 2.410 179.068 176.600 0.095 0.000 0.989 142 E CA 1.069 57.509 56.400 0.066 0.000 0.800 142 E CB 0.036 29.746 29.700 0.016 0.000 0.746 142 E HN 0.433 nan 8.360 nan 0.000 0.452 143 I N 0.977 121.579 120.570 0.053 0.000 2.179 143 I HA -0.313 3.908 4.170 0.086 0.000 0.242 143 I C 2.627 178.781 176.117 0.061 0.000 1.088 143 I CA 1.282 62.609 61.300 0.046 0.000 1.357 143 I CB -0.286 37.737 38.000 0.038 0.000 1.051 143 I HN 0.185 nan 8.210 nan 0.000 0.409 144 Q N -0.414 119.441 119.800 0.091 0.000 2.135 144 Q HA -0.296 4.095 4.340 0.086 0.000 0.204 144 Q C 2.154 178.224 176.000 0.116 0.000 0.981 144 Q CA 1.937 57.801 55.803 0.101 0.000 0.856 144 Q CB -0.403 28.413 28.738 0.129 0.000 0.902 144 Q HN 0.570 nan 8.270 nan 0.000 0.425 145 H N 0.928 120.024 119.070 0.042 0.000 2.319 145 H HA -0.101 4.507 4.556 0.087 0.000 0.299 145 H C 1.811 177.147 175.328 0.013 0.000 1.092 145 H CA 1.623 57.682 56.048 0.018 0.000 1.302 145 H CB -0.239 29.515 29.762 -0.013 0.000 1.373 145 H HN 0.123 nan 8.280 nan 0.000 0.497 146 L N -0.222 120.923 121.223 -0.130 0.000 2.083 146 L HA -0.167 4.224 4.340 0.086 0.000 0.209 146 L C 2.450 179.234 176.870 -0.144 0.000 1.083 146 L CA 0.996 55.726 54.840 -0.184 0.000 0.752 146 L CB -0.360 41.662 42.059 -0.061 0.000 0.899 146 L HN 0.330 nan 8.230 nan 0.000 0.433 147 L N -0.435 120.744 121.223 -0.073 0.000 2.291 147 L HA -0.005 4.386 4.340 0.086 0.000 0.214 147 L C 1.458 178.322 176.870 -0.010 0.000 1.120 147 L CA 0.765 55.579 54.840 -0.044 0.000 0.799 147 L CB -0.641 41.410 42.059 -0.014 0.000 0.925 147 L HN 0.523 nan 8.230 nan 0.000 0.446 148 G N 0.314 109.103 108.800 -0.019 0.000 2.149 148 G HA2 -0.276 3.735 3.960 0.086 0.000 0.235 148 G HA3 -0.276 3.735 3.960 0.086 0.000 0.235 148 G C 0.325 175.332 174.900 0.179 0.000 1.018 148 G CA 0.349 45.486 45.100 0.062 0.000 0.728 148 G HN 0.317 nan 8.290 nan 0.000 0.508 149 S N -0.484 115.290 115.700 0.124 0.000 2.558 149 S HA 0.253 4.774 4.470 0.086 0.000 0.288 149 S C 1.425 176.133 174.600 0.180 0.000 1.318 149 S CA 0.768 59.049 58.200 0.135 0.000 1.056 149 S CB 0.421 63.676 63.200 0.092 0.000 0.853 149 S HN 0.313 nan 8.310 nan 0.000 0.505 150 D N 3.025 123.537 120.400 0.186 0.000 2.216 150 D HA 0.126 4.817 4.640 0.086 0.000 0.208 150 D C 0.220 176.592 176.300 0.120 0.000 0.960 150 D CA 0.923 55.024 54.000 0.169 0.000 0.861 150 D CB 0.209 41.117 40.800 0.181 0.000 0.985 150 D HN 0.508 nan 8.370 nan 0.000 0.493 151 I N 2.215 122.794 120.570 0.015 0.000 2.382 151 I HA 0.157 4.378 4.170 0.086 0.000 0.285 151 I C -0.504 175.543 176.117 -0.118 0.000 1.007 151 I CA -0.588 60.627 61.300 -0.143 0.000 1.142 151 I CB 2.335 40.077 38.000 -0.430 0.000 1.289 151 I HN -0.354 nan 8.210 nan 0.000 0.453 152 V N 6.848 126.742 119.914 -0.034 0.000 2.439 152 V HA 0.369 4.540 4.120 0.086 0.000 0.282 152 V C 0.422 176.499 176.094 -0.029 0.000 1.039 152 V CA -0.510 61.813 62.300 0.039 0.000 0.913 152 V CB 1.487 33.440 31.823 0.218 0.000 0.983 152 V HN 0.575 nan 8.190 nan 0.000 0.460 153 M N 3.660 123.266 119.600 0.010 0.000 2.264 153 M HA 0.505 5.036 4.480 0.086 0.000 0.352 153 M C 0.399 176.738 176.300 0.065 0.000 1.173 153 M CA -0.506 54.808 55.300 0.024 0.000 1.075 153 M CB 1.155 33.782 32.600 0.045 0.000 1.621 153 M HN 0.729 nan 8.290 nan 0.000 0.457 154 A N 3.032 125.866 122.820 0.023 0.000 2.520 154 A HA 0.134 4.505 4.320 0.086 0.000 0.235 154 A C -0.417 177.263 177.584 0.160 0.000 1.065 154 A CA -0.087 52.002 52.037 0.086 0.000 0.764 154 A CB -0.147 18.834 19.000 -0.033 0.000 1.002 154 A HN 0.749 nan 8.150 nan 0.000 0.502 155 F N 2.889 122.886 119.950 0.078 0.000 2.444 155 F HA 0.373 4.951 4.527 0.085 0.000 0.360 155 F C 0.332 176.281 175.800 0.249 0.000 1.106 155 F CA -0.056 57.998 58.000 0.091 0.000 1.170 155 F CB 0.431 39.413 39.000 -0.031 0.000 1.113 155 F HN 0.771 nan 8.300 nan 0.000 0.521 156 D N 3.755 123.998 120.400 -0.262 0.000 2.687 156 D HA 0.263 4.954 4.640 0.086 0.000 0.264 156 D C -1.523 174.684 176.300 -0.155 0.000 1.091 156 D CA -0.803 53.164 54.000 -0.056 0.000 1.123 156 D CB 1.296 42.068 40.800 -0.048 0.000 1.407 156 D HN 0.565 nan 8.370 nan 0.000 0.591 157 E N -0.576 119.570 120.200 -0.090 0.000 2.185 157 E HA 0.401 4.802 4.350 0.086 0.000 0.261 157 E C -1.339 175.206 176.600 -0.093 0.000 0.879 157 E CA -0.851 55.483 56.400 -0.110 0.000 0.756 157 E CB 1.320 30.898 29.700 -0.203 0.000 1.152 157 E HN 0.529 nan 8.360 nan 0.000 0.416 158 C N 4.807 124.059 119.300 -0.080 0.000 2.303 158 C HA 0.401 4.913 4.460 0.086 0.000 0.341 158 C C 0.292 175.246 174.990 -0.059 0.000 1.244 158 C CA -0.275 58.722 59.018 -0.035 0.000 1.765 158 C CB -0.573 27.200 27.740 0.054 0.000 2.379 158 C HN 0.717 nan 8.230 nan 0.000 0.530 159 T N 9.519 124.059 114.554 -0.024 0.000 2.769 159 T HA 0.210 4.612 4.350 0.086 0.000 0.293 159 T C -2.085 172.625 174.700 0.017 0.000 0.931 159 T CA -0.053 62.043 62.100 -0.007 0.000 1.139 159 T CB 0.277 69.161 68.868 0.026 0.000 0.881 159 T HN 0.662 nan 8.240 nan 0.000 0.532 160 P HA 0.027 nan 4.420 nan 0.000 0.267 160 P C -1.092 176.259 177.300 0.085 0.000 1.195 160 P CA -0.179 62.930 63.100 0.016 0.000 0.773 160 P CB 0.288 31.977 31.700 -0.019 0.000 0.837 161 Y N 3.562 123.852 120.300 -0.017 0.000 2.341 161 Y HA 0.482 5.083 4.550 0.086 0.000 0.338 161 Y C -2.126 173.771 175.900 -0.006 0.000 0.965 161 Y CA -2.324 55.770 58.100 -0.011 0.000 1.108 161 Y CB 0.914 39.364 38.460 -0.016 0.000 1.180 161 Y HN 0.338 nan 8.280 nan 0.000 0.458 162 P HA 0.658 nan 4.420 nan 0.000 0.279 162 P C -1.762 175.394 177.300 -0.240 0.000 1.252 162 P CA -0.548 62.035 63.100 -0.862 0.000 0.811 162 P CB 1.878 33.106 31.700 -0.787 0.000 1.035 163 A N 0.777 123.559 122.820 -0.062 0.000 2.414 163 A HA 0.632 5.003 4.320 0.086 0.000 0.306 163 A C 0.243 177.929 177.584 0.170 0.000 1.054 163 A CA -0.537 51.538 52.037 0.063 0.000 0.724 163 A CB 0.969 20.035 19.000 0.111 0.000 1.267 163 A HN 0.674 nan 8.150 nan 0.000 0.418 164 T N 0.251 114.851 114.554 0.076 0.000 2.860 164 T HA 0.366 4.768 4.350 0.086 0.000 0.299 164 T C -1.818 172.863 174.700 -0.033 0.000 1.045 164 T CA -0.909 61.216 62.100 0.042 0.000 1.071 164 T CB 0.471 69.325 68.868 -0.022 0.000 0.985 164 T HN 0.281 nan 8.240 nan 0.000 0.537 165 P HA -0.142 nan 4.420 nan 0.000 0.216 165 P C 1.965 179.114 177.300 -0.251 0.000 1.153 165 P CA 1.265 64.025 63.100 -0.566 0.000 0.858 165 P CB -0.123 31.180 31.700 -0.661 0.000 0.789 166 S N -0.910 114.694 115.700 -0.160 0.000 2.368 166 S HA -0.183 4.338 4.470 0.086 0.000 0.225 166 S C 1.973 176.532 174.600 -0.069 0.000 1.030 166 S CA 1.272 59.410 58.200 -0.103 0.000 0.999 166 S CB -0.466 62.687 63.200 -0.079 0.000 0.844 166 S HN 0.017 nan 8.310 nan 0.000 0.459 167 R N 0.482 120.954 120.500 -0.046 0.000 2.075 167 R HA 0.176 4.568 4.340 0.086 0.000 0.226 167 R C 2.722 179.017 176.300 -0.008 0.000 1.114 167 R CA 1.065 57.149 56.100 -0.027 0.000 0.972 167 R CB -0.564 29.727 30.300 -0.015 0.000 0.869 167 R HN 0.478 nan 8.270 nan 0.000 0.437 168 A N 1.440 124.281 122.820 0.035 0.000 1.933 168 A HA -0.135 4.236 4.320 0.086 0.000 0.218 168 A C 2.349 179.953 177.584 0.034 0.000 1.175 168 A CA 1.766 53.857 52.037 0.089 0.000 0.628 168 A CB -0.608 18.559 19.000 0.279 0.000 0.814 168 A HN 0.392 nan 8.150 nan 0.000 0.444 169 A N -0.590 122.221 122.820 -0.015 0.000 1.855 169 A HA -0.053 4.319 4.320 0.086 0.000 0.215 169 A C 2.441 179.996 177.584 -0.049 0.000 1.191 169 A CA 1.992 54.009 52.037 -0.033 0.000 0.613 169 A CB -1.006 17.956 19.000 -0.063 0.000 0.829 169 A HN 0.450 nan 8.150 nan 0.000 0.442 170 S N -0.272 115.393 115.700 -0.059 0.000 2.374 170 S HA -0.194 4.327 4.470 0.086 0.000 0.227 170 S C 2.343 176.875 174.600 -0.114 0.000 1.037 170 S CA 1.733 59.886 58.200 -0.078 0.000 1.024 170 S CB -0.419 62.739 63.200 -0.070 0.000 0.861 170 S HN 0.713 nan 8.310 nan 0.000 0.456 171 S N 0.804 116.444 115.700 -0.100 0.000 2.371 171 S HA -0.018 4.503 4.470 0.086 0.000 0.224 171 S C 1.952 176.462 174.600 -0.150 0.000 1.029 171 S CA 1.038 59.154 58.200 -0.140 0.000 0.978 171 S CB -0.353 62.792 63.200 -0.091 0.000 0.833 171 S HN 0.422 nan 8.310 nan 0.000 0.466 172 M N 1.422 120.972 119.600 -0.083 0.000 2.086 172 M HA -0.085 4.447 4.480 0.086 0.000 0.261 172 M C 1.774 178.022 176.300 -0.087 0.000 1.067 172 M CA 1.903 57.165 55.300 -0.063 0.000 1.116 172 M CB -1.128 31.466 32.600 -0.010 0.000 1.348 172 M HN 0.390 nan 8.290 nan 0.000 0.407 173 E N -0.260 119.886 120.200 -0.089 0.000 2.085 173 E HA -0.249 4.152 4.350 0.086 0.000 0.194 173 E C 2.150 178.659 176.600 -0.151 0.000 0.994 173 E CA 1.620 57.967 56.400 -0.088 0.000 0.801 173 E CB -0.307 29.349 29.700 -0.074 0.000 0.743 173 E HN 0.517 nan 8.360 nan 0.000 0.453 174 R N 0.603 120.947 120.500 -0.260 0.000 2.081 174 R HA -0.121 4.271 4.340 0.086 0.000 0.235 174 R C 2.276 178.223 176.300 -0.588 0.000 1.131 174 R CA 1.715 57.515 56.100 -0.499 0.000 0.960 174 R CB -0.120 29.774 30.300 -0.676 0.000 0.856 174 R HN -0.007 nan 8.270 nan 0.000 0.436 175 S N 0.287 115.755 115.700 -0.387 0.000 2.399 175 S HA -0.112 4.410 4.470 0.086 0.000 0.231 175 S C 1.816 176.412 174.600 -0.007 0.000 1.022 175 S CA 1.294 59.387 58.200 -0.179 0.000 0.983 175 S CB -0.054 63.081 63.200 -0.109 0.000 0.803 175 S HN 0.303 nan 8.310 nan 0.000 0.480 176 M N 1.000 120.586 119.600 -0.023 0.000 2.200 176 M HA 0.062 4.593 4.480 0.086 0.000 0.265 176 M C 2.028 178.392 176.300 0.106 0.000 1.066 176 M CA 1.224 56.559 55.300 0.058 0.000 1.127 176 M CB -1.157 31.468 32.600 0.041 0.000 1.379 176 M HN 0.242 nan 8.290 nan 0.000 0.420 177 R N -1.001 119.536 120.500 0.062 0.000 2.096 177 R HA -0.180 4.211 4.340 0.086 0.000 0.235 177 R C 2.068 178.562 176.300 0.323 0.000 1.127 177 R CA 1.324 57.508 56.100 0.140 0.000 0.968 177 R CB -0.261 30.088 30.300 0.081 0.000 0.861 177 R HN 0.376 nan 8.270 nan 0.000 0.440 178 W N 0.471 121.836 121.300 0.109 0.000 2.425 178 W HA 0.057 4.769 4.660 0.086 0.000 0.277 178 W C 2.315 178.932 176.519 0.164 0.000 1.231 178 W CA 0.454 57.891 57.345 0.154 0.000 1.248 178 W CB -0.791 28.776 29.460 0.179 0.000 1.117 178 W HN 0.170 nan 8.180 nan 0.000 0.568 179 A N 0.249 123.287 122.820 0.364 0.000 1.930 179 A HA -0.193 4.179 4.320 0.086 0.000 0.217 179 A C 2.038 179.846 177.584 0.373 0.000 1.175 179 A CA 2.116 54.352 52.037 0.332 0.000 0.627 179 A CB -0.585 18.570 19.000 0.259 0.000 0.815 179 A HN 0.107 nan 8.150 nan 0.000 0.443 180 K N 0.240 120.808 120.400 0.279 0.000 2.057 180 K HA -0.062 4.309 4.320 0.086 0.000 0.206 180 K C 2.052 178.755 176.600 0.172 0.000 1.050 180 K CA 1.625 58.027 56.287 0.192 0.000 0.935 180 K CB -0.341 32.247 32.500 0.146 0.000 0.715 180 K HN 0.435 nan 8.250 nan 0.000 0.439 181 R N -0.142 120.479 120.500 0.201 0.000 2.096 181 R HA -0.028 4.363 4.340 0.086 0.000 0.235 181 R C 2.381 178.769 176.300 0.145 0.000 1.127 181 R CA 1.516 57.709 56.100 0.155 0.000 0.968 181 R CB -0.260 30.135 30.300 0.158 0.000 0.861 181 R HN 0.150 nan 8.270 nan 0.000 0.440 182 S N 0.495 116.314 115.700 0.199 0.000 2.348 182 S HA -0.175 4.346 4.470 0.086 0.000 0.221 182 S C 1.807 176.531 174.600 0.208 0.000 1.033 182 S CA 1.427 59.752 58.200 0.207 0.000 1.010 182 S CB -0.221 63.132 63.200 0.255 0.000 0.891 182 S HN 0.220 nan 8.310 nan 0.000 0.442 183 R N 1.783 122.401 120.500 0.198 0.000 2.096 183 R HA -0.129 4.262 4.340 0.086 0.000 0.240 183 R C 1.457 177.821 176.300 0.107 0.000 1.139 183 R CA 2.056 58.202 56.100 0.076 0.000 0.952 183 R CB -0.715 29.532 30.300 -0.088 0.000 0.854 183 R HN 0.251 nan 8.270 nan 0.000 0.436 184 D N -0.283 120.173 120.400 0.093 0.000 2.149 184 D HA -0.008 4.684 4.640 0.086 0.000 0.201 184 D C 1.722 178.071 176.300 0.082 0.000 0.972 184 D CA 1.454 55.499 54.000 0.075 0.000 0.835 184 D CB -0.379 40.455 40.800 0.056 0.000 0.966 184 D HN 0.381 nan 8.370 nan 0.000 0.476 185 A N 0.576 123.453 122.820 0.094 0.000 1.883 185 A HA -0.201 4.171 4.320 0.086 0.000 0.217 185 A C 2.127 179.769 177.584 0.098 0.000 1.186 185 A CA 1.139 53.219 52.037 0.072 0.000 0.624 185 A CB -1.094 17.944 19.000 0.062 0.000 0.822 185 A HN 0.263 nan 8.150 nan 0.000 0.444 186 F N 1.068 121.020 119.950 0.003 0.000 2.134 186 F HA -0.185 4.393 4.527 0.085 0.000 0.299 186 F C 1.708 177.495 175.800 -0.023 0.000 1.097 186 F CA 2.171 60.169 58.000 -0.002 0.000 1.264 186 F CB -0.106 38.914 39.000 0.034 0.000 1.001 186 F HN 0.231 nan 8.300 nan 0.000 0.479 187 D N -0.473 120.042 120.400 0.192 0.000 2.224 187 D HA -0.113 4.578 4.640 0.086 0.000 0.205 187 D C 2.450 178.736 176.300 -0.023 0.000 0.965 187 D CA 1.447 55.497 54.000 0.084 0.000 0.852 187 D CB -0.349 40.511 40.800 0.100 0.000 0.947 187 D HN 0.412 nan 8.370 nan 0.000 0.494 188 S N -0.297 115.387 115.700 -0.028 0.000 2.461 188 S HA -0.057 4.465 4.470 0.086 0.000 0.228 188 S C 1.299 175.837 174.600 -0.102 0.000 1.005 188 S CA -0.107 58.063 58.200 -0.051 0.000 0.942 188 S CB 0.086 63.266 63.200 -0.033 0.000 0.776 188 S HN 0.048 nan 8.310 nan 0.000 0.514 189 R N 1.781 122.181 120.500 -0.166 0.000 2.296 189 R HA 0.248 4.639 4.340 0.086 0.000 0.327 189 R C 0.608 176.756 176.300 -0.254 0.000 1.137 189 R CA -0.475 55.479 56.100 -0.242 0.000 1.020 189 R CB 0.268 30.356 30.300 -0.354 0.000 1.110 189 R HN 0.009 nan 8.270 nan 0.000 0.499 190 K N 2.428 122.727 120.400 -0.168 0.000 2.097 190 K HA -0.198 4.174 4.320 0.086 0.000 0.206 190 K C 1.494 178.013 176.600 -0.136 0.000 1.049 190 K CA 1.590 57.798 56.287 -0.133 0.000 0.933 190 K CB 0.120 32.574 32.500 -0.077 0.000 0.717 190 K HN 0.605 nan 8.250 nan 0.000 0.442 191 E N 1.632 121.758 120.200 -0.122 0.000 2.110 191 E HA -0.222 4.180 4.350 0.086 0.000 0.193 191 E C 2.066 178.614 176.600 -0.087 0.000 0.988 191 E CA 1.547 57.911 56.400 -0.059 0.000 0.804 191 E CB -0.165 29.550 29.700 0.025 0.000 0.745 191 E HN 0.371 nan 8.360 nan 0.000 0.458 192 Q N -0.255 119.421 119.800 -0.206 0.000 2.046 192 Q HA -0.096 4.295 4.340 0.086 0.000 0.200 192 Q C 2.167 177.856 176.000 -0.519 0.000 0.975 192 Q CA 1.628 57.251 55.803 -0.300 0.000 0.836 192 Q CB -0.393 28.082 28.738 -0.438 0.000 0.896 192 Q HN 0.403 nan 8.270 nan 0.000 0.428 193 A N 0.668 123.126 122.820 -0.603 0.000 1.978 193 A HA -0.221 4.150 4.320 0.086 0.000 0.220 193 A C 1.686 179.211 177.584 -0.099 0.000 1.170 193 A CA 1.767 53.529 52.037 -0.458 0.000 0.636 193 A CB -0.428 18.431 19.000 -0.234 0.000 0.810 193 A HN 0.543 nan 8.150 nan 0.000 0.448 194 E N -0.882 119.272 120.200 -0.077 0.000 2.299 194 E HA -0.011 4.390 4.350 0.086 0.000 0.193 194 E C 1.035 177.657 176.600 0.037 0.000 0.998 194 E CA 0.561 56.962 56.400 0.002 0.000 0.851 194 E CB 0.081 29.775 29.700 -0.009 0.000 0.795 194 E HN 0.574 nan 8.360 nan 0.000 0.492 195 N N -0.506 118.211 118.700 0.028 0.000 2.257 195 N HA 0.138 4.930 4.740 0.086 0.000 0.200 195 N C -0.082 175.498 175.510 0.118 0.000 1.163 195 N CA 0.167 53.255 53.050 0.064 0.000 0.891 195 N CB 1.220 39.730 38.487 0.038 0.000 1.067 195 N HN -0.041 nan 8.380 nan 0.000 0.497 196 A N 0.468 123.382 122.820 0.157 0.000 2.313 196 A HA 0.869 5.241 4.320 0.086 0.000 0.323 196 A C -0.715 177.118 177.584 0.413 0.000 1.133 196 A CA -0.469 51.728 52.037 0.266 0.000 0.847 196 A CB 1.351 20.519 19.000 0.280 0.000 1.308 196 A HN 0.099 nan 8.150 nan 0.000 0.475 197 A N -0.462 122.550 122.820 0.319 0.000 2.354 197 A HA 0.738 5.109 4.320 0.086 0.000 0.321 197 A C -1.251 176.280 177.584 -0.089 0.000 1.125 197 A CA -0.452 51.645 52.037 0.099 0.000 0.799 197 A CB 1.167 20.128 19.000 -0.064 0.000 1.293 197 A HN 1.490 nan 8.150 nan 0.000 0.452 198 L N 1.356 122.360 121.223 -0.366 0.000 2.349 198 L HA 0.764 5.155 4.340 0.086 0.000 0.278 198 L C -1.852 175.060 176.870 0.070 0.000 0.996 198 L CA -0.274 54.311 54.840 -0.425 0.000 0.825 198 L CB 1.024 42.462 42.059 -1.036 0.000 1.243 198 L HN 0.517 nan 8.230 nan 0.000 0.412 199 F N 2.705 122.499 119.950 -0.261 0.000 2.443 199 F HA 0.758 5.337 4.527 0.087 0.000 0.335 199 F C 0.964 176.401 175.800 -0.606 0.000 1.104 199 F CA -1.094 56.697 58.000 -0.349 0.000 1.013 199 F CB 1.852 40.726 39.000 -0.211 0.000 1.136 199 F HN 0.560 nan 8.300 nan 0.000 0.470 200 G N 2.529 110.705 108.800 -1.040 0.000 2.451 200 G HA2 0.643 4.654 3.960 0.086 0.000 0.303 200 G HA3 0.643 4.654 3.960 0.086 0.000 0.303 200 G C -0.994 173.597 174.900 -0.516 0.000 1.166 200 G CA -0.593 43.698 45.100 -1.349 0.000 0.884 200 G HN 0.525 nan 8.290 nan 0.000 0.514 201 I N 0.578 120.950 120.570 -0.329 0.000 2.410 201 I HA 0.216 4.437 4.170 0.086 0.000 0.286 201 I C 0.101 176.163 176.117 -0.092 0.000 1.009 201 I CA -0.526 60.681 61.300 -0.154 0.000 1.111 201 I CB 2.021 39.950 38.000 -0.117 0.000 1.262 201 I HN 0.422 nan 8.210 nan 0.000 0.443 202 Q N 6.157 125.926 119.800 -0.053 0.000 2.296 202 Q HA 0.199 4.590 4.340 0.086 0.000 0.262 202 Q C -0.762 175.222 176.000 -0.027 0.000 0.981 202 Q CA -0.224 55.567 55.803 -0.021 0.000 0.905 202 Q CB 1.070 29.802 28.738 -0.009 0.000 1.186 202 Q HN 0.519 nan 8.270 nan 0.000 0.399 203 Q N 1.476 121.270 119.800 -0.011 0.000 2.527 203 Q HA 0.540 4.931 4.340 0.086 0.000 0.220 203 Q C 0.301 176.323 176.000 0.037 0.000 1.014 203 Q CA 0.090 55.894 55.803 0.002 0.000 0.978 203 Q CB 1.470 30.199 28.738 -0.016 0.000 1.245 203 Q HN 0.980 nan 8.270 nan 0.000 0.513 204 G N -0.406 108.432 108.800 0.063 0.000 2.183 204 G HA2 -0.211 3.801 3.960 0.086 0.000 0.168 204 G HA3 -0.211 3.801 3.960 0.086 0.000 0.168 204 G C 0.371 175.374 174.900 0.172 0.000 1.008 204 G CA 0.970 46.147 45.100 0.128 0.000 0.677 204 G HN 0.801 nan 8.290 nan 0.000 0.498 205 S N -2.076 113.683 115.700 0.098 0.000 3.938 205 S HA -0.380 4.142 4.470 0.086 0.000 0.624 205 S C 1.906 176.454 174.600 -0.086 0.000 2.186 205 S CA 3.586 61.805 58.200 0.031 0.000 4.144 205 S CB -1.227 62.031 63.200 0.096 0.000 0.230 205 S HN 2.027 nan 8.310 nan 0.000 0.755 206 V N -0.295 119.385 119.914 -0.391 0.000 3.596 206 V HA 0.537 4.708 4.120 0.086 0.000 0.289 206 V C 0.340 176.265 176.094 -0.281 0.000 1.336 206 V CA 0.303 62.403 62.300 -0.333 0.000 1.137 206 V CB -0.728 30.898 31.823 -0.329 0.000 0.966 206 V HN 0.469 nan 8.190 nan 0.000 0.428 207 F N 1.451 121.510 119.950 0.181 0.000 2.404 207 F HA 0.482 5.061 4.527 0.086 0.000 0.358 207 F C 1.586 177.396 175.800 0.016 0.000 1.120 207 F CA -0.821 57.229 58.000 0.084 0.000 1.144 207 F CB 1.274 40.294 39.000 0.032 0.000 1.133 207 F HN 0.127 nan 8.300 nan 0.000 0.495 208 E N 2.858 122.977 120.200 -0.136 0.000 2.058 208 E HA -0.286 4.115 4.350 0.086 0.000 0.194 208 E C 1.902 178.403 176.600 -0.165 0.000 0.997 208 E CA 1.946 58.018 56.400 -0.545 0.000 0.801 208 E CB 0.074 29.096 29.700 -1.131 0.000 0.746 208 E HN 0.733 nan 8.360 nan 0.000 0.450 209 N N 1.004 119.655 118.700 -0.082 0.000 2.166 209 N HA -0.204 4.587 4.740 0.086 0.000 0.186 209 N C 2.002 177.517 175.510 0.007 0.000 1.019 209 N CA 1.319 54.344 53.050 -0.042 0.000 0.856 209 N CB -0.720 37.742 38.487 -0.042 0.000 0.993 209 N HN 0.315 nan 8.380 nan 0.000 0.426 210 L N -0.204 121.056 121.223 0.061 0.000 2.109 210 L HA 0.049 4.440 4.340 0.086 0.000 0.207 210 L C 2.759 179.677 176.870 0.079 0.000 1.086 210 L CA 0.703 55.589 54.840 0.077 0.000 0.760 210 L CB -0.288 41.853 42.059 0.136 0.000 0.910 210 L HN 0.076 nan 8.230 nan 0.000 0.437 211 R N 0.113 120.681 120.500 0.113 0.000 2.091 211 R HA -0.208 4.184 4.340 0.086 0.000 0.238 211 R C 2.197 178.538 176.300 0.069 0.000 1.136 211 R CA 1.444 57.614 56.100 0.116 0.000 0.959 211 R CB -0.462 29.978 30.300 0.233 0.000 0.856 211 R HN 0.341 nan 8.270 nan 0.000 0.437 212 Q N 1.134 120.960 119.800 0.044 0.000 2.046 212 Q HA -0.141 4.251 4.340 0.086 0.000 0.200 212 Q C 1.978 177.985 176.000 0.012 0.000 0.975 212 Q CA 1.687 57.500 55.803 0.016 0.000 0.836 212 Q CB -0.058 28.674 28.738 -0.009 0.000 0.896 212 Q HN 0.360 nan 8.270 nan 0.000 0.428 213 Q N -0.781 119.027 119.800 0.014 0.000 2.135 213 Q HA -0.159 4.233 4.340 0.086 0.000 0.204 213 Q C 2.175 178.189 176.000 0.024 0.000 0.981 213 Q CA 1.510 57.322 55.803 0.014 0.000 0.856 213 Q CB -0.243 28.501 28.738 0.009 0.000 0.902 213 Q HN 0.349 nan 8.270 nan 0.000 0.425 214 S N -0.002 115.715 115.700 0.029 0.000 2.357 214 S HA -0.109 4.412 4.470 0.086 0.000 0.221 214 S C 2.022 176.647 174.600 0.042 0.000 1.031 214 S CA 0.931 59.152 58.200 0.035 0.000 0.982 214 S CB -0.234 62.985 63.200 0.031 0.000 0.853 214 S HN 0.453 nan 8.310 nan 0.000 0.458 215 A N 1.708 124.541 122.820 0.021 0.000 1.892 215 A HA -0.177 4.194 4.320 0.086 0.000 0.218 215 A C 1.884 179.470 177.584 0.004 0.000 1.188 215 A CA 2.162 54.195 52.037 -0.008 0.000 0.631 215 A CB -1.048 17.925 19.000 -0.046 0.000 0.822 215 A HN 0.583 nan 8.150 nan 0.000 0.447 216 D N -0.163 120.244 120.400 0.012 0.000 2.144 216 D HA -0.019 4.673 4.640 0.086 0.000 0.200 216 D C 2.241 178.573 176.300 0.052 0.000 0.978 216 D CA 1.455 55.466 54.000 0.018 0.000 0.833 216 D CB -0.468 40.339 40.800 0.012 0.000 0.961 216 D HN 0.442 nan 8.370 nan 0.000 0.470 217 A N 0.706 123.566 122.820 0.067 0.000 1.902 217 A HA -0.110 4.261 4.320 0.086 0.000 0.217 217 A C 2.390 180.075 177.584 0.168 0.000 1.181 217 A CA 0.891 52.986 52.037 0.096 0.000 0.623 217 A CB -0.718 18.333 19.000 0.085 0.000 0.818 217 A HN 0.194 nan 8.150 nan 0.000 0.443 218 L N -0.910 120.441 121.223 0.212 0.000 2.056 218 L HA -0.142 4.250 4.340 0.086 0.000 0.207 218 L C 3.068 180.216 176.870 0.464 0.000 1.078 218 L CA 0.991 56.078 54.840 0.413 0.000 0.749 218 L CB -0.562 41.735 42.059 0.397 0.000 0.901 218 L HN 0.419 nan 8.230 nan 0.000 0.433 219 A N 0.060 123.026 122.820 0.244 0.000 1.972 219 A HA -0.249 4.122 4.320 0.086 0.000 0.219 219 A C 2.198 179.859 177.584 0.127 0.000 1.169 219 A CA 1.853 53.988 52.037 0.163 0.000 0.635 219 A CB -0.421 18.576 19.000 -0.005 0.000 0.810 219 A HN 0.440 nan 8.150 nan 0.000 0.446 220 E N 0.161 120.421 120.200 0.099 0.000 2.072 220 E HA -0.136 4.265 4.350 0.086 0.000 0.191 220 E C 1.689 178.311 176.600 0.037 0.000 0.985 220 E CA 1.421 57.856 56.400 0.058 0.000 0.801 220 E CB -0.322 29.409 29.700 0.051 0.000 0.750 220 E HN 0.642 nan 8.360 nan 0.000 0.452 221 I N 0.001 120.603 120.570 0.052 0.000 2.202 221 I HA -0.005 4.217 4.170 0.086 0.000 0.242 221 I C 1.003 176.984 176.117 -0.227 0.000 1.091 221 I CA 0.908 62.165 61.300 -0.071 0.000 1.368 221 I CB -0.359 37.619 38.000 -0.037 0.000 1.058 221 I HN 0.333 nan 8.210 nan 0.000 0.410 222 G N 0.720 109.417 108.800 -0.172 0.000 3.322 222 G HA2 -0.149 3.863 3.960 0.086 0.000 0.686 222 G HA3 -0.149 3.863 3.960 0.086 0.000 0.686 222 G C -0.828 173.746 174.900 -0.543 0.000 1.015 222 G CA -0.865 44.146 45.100 -0.147 0.000 0.826 222 G HN 0.060 nan 8.290 nan 0.000 0.538 223 F N 0.442 120.315 119.950 -0.128 0.000 2.640 223 F HA 0.557 5.135 4.527 0.086 0.000 0.324 223 F C 1.037 176.560 175.800 -0.461 0.000 1.077 223 F CA -0.946 56.805 58.000 -0.416 0.000 0.965 223 F CB 1.534 40.092 39.000 -0.736 0.000 1.351 223 F HN 0.335 nan 8.300 nan 0.000 0.487 224 D N 0.207 120.405 120.400 -0.337 0.000 2.289 224 D HA 0.204 4.896 4.640 0.086 0.000 0.207 224 D C 0.600 176.455 176.300 -0.742 0.000 0.966 224 D CA 0.840 54.506 54.000 -0.556 0.000 0.868 224 D CB 0.437 40.680 40.800 -0.928 0.000 0.943 224 D HN 0.590 nan 8.370 nan 0.000 0.514 225 G N -0.752 107.319 108.800 -1.216 0.000 2.623 225 G HA2 0.470 4.481 3.960 0.086 0.000 0.290 225 G HA3 0.470 4.481 3.960 0.086 0.000 0.290 225 G C -2.065 171.974 174.900 -1.435 0.000 1.437 225 G CA -0.739 43.333 45.100 -1.712 0.000 0.798 225 G HN -0.065 nan 8.290 nan 0.000 0.488 226 Y N 0.177 120.144 120.300 -0.554 0.000 2.329 226 Y HA 0.646 5.248 4.550 0.086 0.000 0.328 226 Y C 0.582 176.430 175.900 -0.087 0.000 0.992 226 Y CA -0.623 57.340 58.100 -0.229 0.000 1.151 226 Y CB 2.151 40.537 38.460 -0.123 0.000 1.150 226 Y HN 0.812 nan 8.280 nan 0.000 0.450 227 A N 2.420 125.268 122.820 0.046 0.000 2.316 227 A HA 0.657 5.029 4.320 0.086 0.000 0.284 227 A C -0.639 176.897 177.584 -0.080 0.000 1.115 227 A CA -0.617 51.404 52.037 -0.027 0.000 0.812 227 A CB 0.520 19.435 19.000 -0.141 0.000 1.064 227 A HN 0.543 nan 8.150 nan 0.000 0.489 228 V N 3.030 122.866 119.914 -0.130 0.000 2.339 228 V HA 0.465 4.637 4.120 0.086 0.000 0.261 228 V C 1.096 177.098 176.094 -0.154 0.000 1.058 228 V CA 0.313 62.542 62.300 -0.118 0.000 0.897 228 V CB 0.325 32.085 31.823 -0.104 0.000 1.052 228 V HN 1.081 nan 8.190 nan 0.000 0.480 229 G N 2.756 111.485 108.800 -0.118 0.000 2.535 229 G HA2 0.543 4.554 3.960 0.086 0.000 0.303 229 G HA3 0.543 4.554 3.960 0.086 0.000 0.303 229 G C 0.906 175.770 174.900 -0.059 0.000 1.237 229 G CA -0.022 45.014 45.100 -0.107 0.000 0.986 229 G HN 1.500 nan 8.290 nan 0.000 0.494 230 G N -1.882 106.905 108.800 -0.021 0.000 2.155 230 G HA2 -0.221 3.791 3.960 0.086 0.000 0.257 230 G HA3 -0.221 3.791 3.960 0.086 0.000 0.257 230 G C 0.265 175.156 174.900 -0.014 0.000 0.983 230 G CA 0.770 45.876 45.100 0.011 0.000 0.676 230 G HN 0.573 nan 8.290 nan 0.000 0.528 231 L N -1.568 119.629 121.223 -0.043 0.000 2.299 231 L HA 0.727 5.119 4.340 0.086 0.000 0.268 231 L C 1.701 178.539 176.870 -0.052 0.000 1.012 231 L CA -0.703 54.092 54.840 -0.075 0.000 0.816 231 L CB 1.332 43.341 42.059 -0.083 0.000 1.355 231 L HN 1.137 nan 8.230 nan 0.000 0.457 232 A N 0.326 123.106 122.820 -0.067 0.000 2.745 232 A HA -0.135 4.237 4.320 0.086 0.000 0.296 232 A C 0.396 177.988 177.584 0.014 0.000 1.500 232 A CA 0.911 52.928 52.037 -0.033 0.000 0.766 232 A CB -2.179 16.808 19.000 -0.021 0.000 1.030 232 A HN 0.906 nan 8.150 nan 0.000 0.489 233 V N -4.670 115.241 119.914 -0.005 0.000 3.159 233 V HA 0.688 4.859 4.120 0.086 0.000 0.333 233 V C 1.354 177.482 176.094 0.056 0.000 1.424 233 V CA 0.601 62.945 62.300 0.072 0.000 1.125 233 V CB -0.190 31.695 31.823 0.104 0.000 1.075 233 V HN 2.367 nan 8.190 nan 0.000 0.482 234 G N 0.627 109.414 108.800 -0.022 0.000 2.205 234 G HA2 -0.165 3.846 3.960 0.086 0.000 0.180 234 G HA3 -0.165 3.846 3.960 0.086 0.000 0.180 234 G C 0.071 174.901 174.900 -0.117 0.000 1.004 234 G CA 0.034 45.141 45.100 0.013 0.000 0.670 234 G HN 0.854 nan 8.290 nan 0.000 0.496 235 E N 1.646 121.592 120.200 -0.423 0.000 2.345 235 E HA 0.595 4.997 4.350 0.086 0.000 0.259 235 E C 0.817 177.260 176.600 -0.262 0.000 1.117 235 E CA 0.118 56.157 56.400 -0.602 0.000 0.913 235 E CB 0.669 29.785 29.700 -0.973 0.000 1.057 235 E HN 0.628 nan 8.360 nan 0.000 0.432 236 G N 0.045 108.733 108.800 -0.186 0.000 2.580 236 G HA2 -0.001 4.010 3.960 0.086 0.000 0.278 236 G HA3 -0.001 4.010 3.960 0.086 0.000 0.278 236 G C 0.542 175.316 174.900 -0.211 0.000 1.212 236 G CA -0.080 44.934 45.100 -0.144 0.000 0.939 236 G HN 0.702 nan 8.290 nan 0.000 0.513 237 Q N -0.964 118.687 119.800 -0.249 0.000 2.096 237 Q HA -0.159 4.232 4.340 0.086 0.000 0.204 237 Q C 1.718 177.410 176.000 -0.514 0.000 0.982 237 Q CA 1.962 57.480 55.803 -0.476 0.000 0.850 237 Q CB -0.084 28.343 28.738 -0.519 0.000 0.901 237 Q HN 0.614 nan 8.270 nan 0.000 0.422 238 D N 0.181 120.419 120.400 -0.270 0.000 2.123 238 D HA -0.195 4.497 4.640 0.086 0.000 0.196 238 D C 1.712 177.968 176.300 -0.074 0.000 0.992 238 D CA 1.543 55.467 54.000 -0.127 0.000 0.833 238 D CB -0.119 40.644 40.800 -0.061 0.000 0.954 238 D HN 0.322 nan 8.370 nan 0.000 0.455 239 E N -0.174 119.962 120.200 -0.107 0.000 2.072 239 E HA -0.093 4.309 4.350 0.086 0.000 0.190 239 E C 1.941 178.471 176.600 -0.117 0.000 0.982 239 E CA 0.608 56.953 56.400 -0.092 0.000 0.803 239 E CB -0.201 29.430 29.700 -0.116 0.000 0.755 239 E HN 0.088 nan 8.360 nan 0.000 0.453 240 M N -0.321 119.185 119.600 -0.157 0.000 2.080 240 M HA -0.150 4.382 4.480 0.086 0.000 0.260 240 M C 1.416 177.746 176.300 0.050 0.000 1.068 240 M CA 1.469 56.705 55.300 -0.106 0.000 1.109 240 M CB -0.404 32.117 32.600 -0.132 0.000 1.342 240 M HN 0.179 nan 8.290 nan 0.000 0.405 241 F N 0.341 120.240 119.950 -0.085 0.000 2.171 241 F HA -0.136 4.442 4.527 0.085 0.000 0.300 241 F C 2.722 178.446 175.800 -0.126 0.000 1.090 241 F CA 1.338 59.294 58.000 -0.073 0.000 1.293 241 F CB -1.385 37.598 39.000 -0.029 0.000 1.013 241 F HN 0.308 nan 8.300 nan 0.000 0.486 242 R N 0.373 120.911 120.500 0.063 0.000 2.081 242 R HA -0.117 4.275 4.340 0.086 0.000 0.235 242 R C 2.066 178.159 176.300 -0.344 0.000 1.131 242 R CA 1.520 57.589 56.100 -0.050 0.000 0.960 242 R CB -0.385 29.922 30.300 0.011 0.000 0.856 242 R HN 0.129 nan 8.270 nan 0.000 0.436 243 V N 1.438 121.106 119.914 -0.410 0.000 2.427 243 V HA -0.221 3.951 4.120 0.086 0.000 0.248 243 V C 2.373 177.997 176.094 -0.782 0.000 1.051 243 V CA 1.522 63.321 62.300 -0.835 0.000 1.048 243 V CB -0.382 31.212 31.823 -0.381 0.000 0.666 243 V HN 0.333 nan 8.190 nan 0.000 0.456 244 L N -0.239 120.777 121.223 -0.345 0.000 2.083 244 L HA -0.198 4.194 4.340 0.086 0.000 0.209 244 L C 2.415 179.144 176.870 -0.236 0.000 1.083 244 L CA 1.488 56.192 54.840 -0.226 0.000 0.752 244 L CB -0.811 41.210 42.059 -0.063 0.000 0.899 244 L HN 0.331 nan 8.230 nan 0.000 0.433 245 D N 0.394 120.656 120.400 -0.231 0.000 2.133 245 D HA -0.228 4.463 4.640 0.086 0.000 0.192 245 D C 1.877 178.148 176.300 -0.048 0.000 1.001 245 D CA 1.843 55.773 54.000 -0.115 0.000 0.844 245 D CB -0.187 40.578 40.800 -0.058 0.000 0.944 245 D HN 0.502 nan 8.370 nan 0.000 0.447 246 F N -0.783 119.168 119.950 0.002 0.000 2.698 246 F HA 0.363 4.941 4.527 0.086 0.000 0.295 246 F C 2.159 177.944 175.800 -0.025 0.000 1.124 246 F CA -0.112 57.884 58.000 -0.007 0.000 1.426 246 F CB -0.451 38.550 39.000 0.002 0.000 1.120 246 F HN -0.252 nan 8.300 nan 0.000 0.583 247 S N 0.940 116.615 115.700 -0.041 0.000 2.388 247 S HA -0.030 4.492 4.470 0.086 0.000 0.223 247 S C 2.147 176.714 174.600 -0.055 0.000 1.034 247 S CA 1.086 59.306 58.200 0.034 0.000 0.963 247 S CB -0.396 62.752 63.200 -0.086 0.000 0.827 247 S HN 0.239 nan 8.310 nan 0.000 0.481 248 V N 2.836 122.683 119.914 -0.112 0.000 2.407 248 V HA -0.065 4.106 4.120 0.086 0.000 0.248 248 V C -1.050 174.930 176.094 -0.190 0.000 1.055 248 V CA 1.446 63.629 62.300 -0.194 0.000 1.049 248 V CB -1.878 29.855 31.823 -0.149 0.000 0.662 248 V HN 0.330 nan 8.190 nan 0.000 0.455 249 P HA -0.087 nan 4.420 nan 0.000 0.228 249 P C 1.632 178.896 177.300 -0.060 0.000 1.151 249 P CA 1.242 64.314 63.100 -0.046 0.000 0.770 249 P CB -0.157 31.548 31.700 0.008 0.000 0.786 250 M N -1.840 117.719 119.600 -0.069 0.000 2.492 250 M HA -0.003 4.528 4.480 0.086 0.000 0.262 250 M C 0.696 176.906 176.300 -0.149 0.000 1.090 250 M CA 0.811 56.068 55.300 -0.072 0.000 1.110 250 M CB -0.457 32.125 32.600 -0.030 0.000 1.407 250 M HN -0.094 nan 8.290 nan 0.000 0.470 251 L N 0.490 121.568 121.223 -0.242 0.000 2.418 251 L HA 0.310 4.702 4.340 0.086 0.000 0.265 251 L C -2.087 174.618 176.870 -0.275 0.000 1.143 251 L CA -2.267 52.346 54.840 -0.377 0.000 0.809 251 L CB -0.316 41.444 42.059 -0.498 0.000 1.124 251 L HN -0.239 nan 8.230 nan 0.000 0.456 252 P HA -0.059 nan 4.420 nan 0.000 0.262 252 P C -0.115 177.257 177.300 0.121 0.000 1.182 252 P CA 0.278 63.303 63.100 -0.124 0.000 0.761 252 P CB 0.538 32.133 31.700 -0.176 0.000 0.795 253 D N 2.508 122.983 120.400 0.126 0.000 2.178 253 D HA -0.176 4.515 4.640 0.086 0.000 0.202 253 D C 1.017 177.432 176.300 0.191 0.000 0.974 253 D CA 1.123 55.240 54.000 0.195 0.000 0.841 253 D CB -0.036 40.833 40.800 0.115 0.000 0.953 253 D HN 0.380 nan 8.370 nan 0.000 0.478 254 D N -0.779 119.726 120.400 0.174 0.000 2.319 254 D HA -0.012 4.679 4.640 0.086 0.000 0.230 254 D C -0.120 176.401 176.300 0.368 0.000 1.094 254 D CA 0.117 54.242 54.000 0.209 0.000 0.856 254 D CB 0.058 40.941 40.800 0.138 0.000 0.915 254 D HN 0.014 nan 8.370 nan 0.000 0.517 255 K N 0.738 121.318 120.400 0.301 0.000 2.328 255 K HA 0.480 4.852 4.320 0.086 0.000 0.246 255 K C -2.830 173.625 176.600 -0.243 0.000 0.955 255 K CA -2.330 54.071 56.287 0.191 0.000 0.817 255 K CB 1.528 34.189 32.500 0.268 0.000 1.208 255 K HN -0.110 nan 8.250 nan 0.000 0.432 256 P HA 0.089 nan 4.420 nan 0.000 0.269 256 P C -0.828 176.298 177.300 -0.290 0.000 1.209 256 P CA 0.109 62.716 63.100 -0.822 0.000 0.776 256 P CB 0.325 31.618 31.700 -0.678 0.000 0.876 257 H N 1.551 120.534 119.070 -0.145 0.000 2.551 257 H HA 0.291 4.898 4.556 0.086 0.000 0.321 257 H C -0.877 174.445 175.328 -0.009 0.000 1.028 257 H CA -0.384 55.634 56.048 -0.050 0.000 1.215 257 H CB 0.273 30.008 29.762 -0.045 0.000 1.414 257 H HN 0.381 nan 8.280 nan 0.000 0.480 258 Y N 4.210 124.517 120.300 0.012 0.000 2.328 258 Y HA 0.345 4.946 4.550 0.087 0.000 0.337 258 Y C -1.376 174.458 175.900 -0.109 0.000 0.966 258 Y CA -1.704 56.358 58.100 -0.064 0.000 1.136 258 Y CB 0.859 39.377 38.460 0.097 0.000 1.170 258 Y HN 0.483 nan 8.280 nan 0.000 0.470 259 L N 7.835 128.955 121.223 -0.171 0.000 2.259 259 L HA 0.452 4.843 4.340 0.086 0.000 0.288 259 L C -0.720 175.977 176.870 -0.289 0.000 1.051 259 L CA -0.344 54.357 54.840 -0.232 0.000 0.824 259 L CB 0.224 42.219 42.059 -0.106 0.000 1.206 259 L HN 0.706 nan 8.230 nan 0.000 0.429 260 M N 5.001 124.284 119.600 -0.528 0.000 2.219 260 M HA 0.290 4.821 4.480 0.086 0.000 0.353 260 M C 1.372 177.551 176.300 -0.201 0.000 1.304 260 M CA 0.694 55.683 55.300 -0.520 0.000 1.115 260 M CB 0.512 32.781 32.600 -0.552 0.000 1.664 260 M HN 0.870 nan 8.290 nan 0.000 0.459 261 G N 2.370 111.112 108.800 -0.097 0.000 2.159 261 G HA2 -0.184 3.828 3.960 0.086 0.000 0.256 261 G HA3 -0.184 3.828 3.960 0.086 0.000 0.256 261 G C -0.206 174.728 174.900 0.056 0.000 0.977 261 G CA -0.181 44.879 45.100 -0.066 0.000 0.652 261 G HN 0.575 nan 8.290 nan 0.000 0.531 262 V N 0.134 120.150 119.914 0.169 0.000 2.483 262 V HA 0.928 5.100 4.120 0.086 0.000 0.295 262 V C 0.815 177.164 176.094 0.424 0.000 1.035 262 V CA 0.614 63.077 62.300 0.272 0.000 0.896 262 V CB 1.311 33.323 31.823 0.316 0.000 0.986 262 V HN 1.447 nan 8.190 nan 0.000 0.447 263 G N 3.891 112.890 108.800 0.332 0.000 2.356 263 G HA2 0.254 4.266 3.960 0.086 0.000 0.281 263 G HA3 0.254 4.266 3.960 0.086 0.000 0.281 263 G C -1.236 173.760 174.900 0.161 0.000 1.246 263 G CA -1.010 44.215 45.100 0.208 0.000 0.889 263 G HN 0.543 nan 8.290 nan 0.000 0.486 264 K N 1.062 121.526 120.400 0.106 0.000 2.380 264 K HA 0.230 4.601 4.320 0.086 0.000 0.267 264 K C -1.673 174.838 176.600 -0.148 0.000 0.990 264 K CA -0.791 55.526 56.287 0.050 0.000 0.946 264 K CB 1.048 33.639 32.500 0.152 0.000 0.937 264 K HN 0.031 nan 8.250 nan 0.000 0.491 265 P HA -0.264 nan 4.420 nan 0.000 0.216 265 P C 0.521 177.611 177.300 -0.349 0.000 1.154 265 P CA 1.567 64.327 63.100 -0.566 0.000 0.865 265 P CB 0.074 31.429 31.700 -0.574 0.000 0.789 266 D N -1.459 118.893 120.400 -0.079 0.000 2.224 266 D HA -0.142 4.550 4.640 0.086 0.000 0.205 266 D C 1.180 177.622 176.300 0.236 0.000 0.965 266 D CA 0.905 55.023 54.000 0.197 0.000 0.852 266 D CB -0.938 40.152 40.800 0.483 0.000 0.947 266 D HN 0.147 nan 8.370 nan 0.000 0.494 267 D N 1.096 121.592 120.400 0.160 0.000 2.117 267 D HA -0.056 4.635 4.640 0.086 0.000 0.197 267 D C 2.402 178.821 176.300 0.198 0.000 0.987 267 D CA 0.461 54.607 54.000 0.243 0.000 0.829 267 D CB -0.062 40.823 40.800 0.142 0.000 0.961 267 D HN 0.335 nan 8.370 nan 0.000 0.460 268 I N 0.607 121.115 120.570 -0.104 0.000 2.142 268 I HA -0.232 3.989 4.170 0.086 0.000 0.240 268 I C 2.491 178.487 176.117 -0.201 0.000 1.078 268 I CA 0.650 61.664 61.300 -0.476 0.000 1.343 268 I CB -0.203 37.319 38.000 -0.797 0.000 1.046 268 I HN -0.126 nan 8.210 nan 0.000 0.405 269 V N 1.052 120.884 119.914 -0.137 0.000 2.287 269 V HA -0.258 3.913 4.120 0.086 0.000 0.248 269 V C 2.539 178.711 176.094 0.130 0.000 1.053 269 V CA 2.310 64.626 62.300 0.027 0.000 1.027 269 V CB -1.456 30.298 31.823 -0.115 0.000 0.646 269 V HN 0.604 nan 8.190 nan 0.000 0.447 270 G N -0.859 107.992 108.800 0.085 0.000 2.422 270 G HA2 -0.104 3.907 3.960 0.086 0.000 0.218 270 G HA3 -0.104 3.907 3.960 0.086 0.000 0.218 270 G C 1.707 176.440 174.900 -0.277 0.000 1.140 270 G CA 0.897 45.853 45.100 -0.240 0.000 0.775 270 G HN 0.612 nan 8.290 nan 0.000 0.545 271 A N 0.228 123.092 122.820 0.073 0.000 1.930 271 A HA 0.145 4.516 4.320 0.086 0.000 0.217 271 A C 2.541 180.285 177.584 0.266 0.000 1.175 271 A CA 1.526 53.697 52.037 0.223 0.000 0.627 271 A CB -0.441 18.886 19.000 0.545 0.000 0.815 271 A HN 0.218 nan 8.150 nan 0.000 0.443 272 V N 0.338 120.458 119.914 0.343 0.000 2.407 272 V HA -0.259 3.912 4.120 0.086 0.000 0.248 272 V C 2.233 178.468 176.094 0.236 0.000 1.055 272 V CA 2.176 64.636 62.300 0.265 0.000 1.049 272 V CB -0.866 31.056 31.823 0.165 0.000 0.662 272 V HN 0.642 nan 8.190 nan 0.000 0.455 273 E N -0.176 120.214 120.200 0.317 0.000 2.333 273 E HA -0.165 4.236 4.350 0.086 0.000 0.198 273 E C 1.969 178.631 176.600 0.103 0.000 1.007 273 E CA 0.721 57.288 56.400 0.279 0.000 0.845 273 E CB -0.079 29.672 29.700 0.085 0.000 0.766 273 E HN 0.542 nan 8.360 nan 0.000 0.507 274 R N -0.932 119.595 120.500 0.046 0.000 2.432 274 R HA 0.155 4.546 4.340 0.086 0.000 0.260 274 R C 0.647 176.981 176.300 0.057 0.000 0.935 274 R CA 0.425 56.531 56.100 0.010 0.000 1.080 274 R CB 1.174 31.430 30.300 -0.073 0.000 1.155 274 R HN 0.174 nan 8.270 nan 0.000 0.531 275 G N 0.884 109.750 108.800 0.109 0.000 2.138 275 G HA2 -0.172 3.839 3.960 0.086 0.000 0.193 275 G HA3 -0.172 3.839 3.960 0.086 0.000 0.193 275 G C -0.048 174.982 174.900 0.216 0.000 0.998 275 G CA -0.656 44.542 45.100 0.164 0.000 0.668 275 G HN 0.076 nan 8.290 nan 0.000 0.516 276 I N 1.328 121.980 120.570 0.137 0.000 2.440 276 I HA 0.349 4.570 4.170 0.086 0.000 0.294 276 I C 0.441 176.545 176.117 -0.021 0.000 0.995 276 I CA -0.370 60.949 61.300 0.032 0.000 1.306 276 I CB 1.312 39.244 38.000 -0.112 0.000 1.407 276 I HN 0.033 nan 8.210 nan 0.000 0.501 277 D N 4.819 125.155 120.400 -0.107 0.000 2.423 277 D HA 0.209 4.901 4.640 0.086 0.000 0.212 277 D C 0.236 176.479 176.300 -0.096 0.000 1.060 277 D CA 0.750 54.711 54.000 -0.064 0.000 0.872 277 D CB 1.073 41.803 40.800 -0.115 0.000 1.012 277 D HN 0.402 nan 8.370 nan 0.000 0.503 278 M N 0.133 119.555 119.600 -0.296 0.000 2.433 278 M HA 0.434 4.965 4.480 0.086 0.000 0.290 278 M C -1.569 174.486 176.300 -0.409 0.000 1.173 278 M CA -0.551 54.620 55.300 -0.214 0.000 0.905 278 M CB 3.046 35.541 32.600 -0.176 0.000 1.692 278 M HN -0.305 nan 8.290 nan 0.000 0.462 279 F N 0.294 120.318 119.950 0.123 0.000 2.601 279 F HA 0.580 5.158 4.527 0.085 0.000 0.309 279 F C -0.842 174.892 175.800 -0.110 0.000 1.089 279 F CA -0.720 57.384 58.000 0.173 0.000 0.940 279 F CB 2.093 41.276 39.000 0.305 0.000 1.273 279 F HN 0.629 nan 8.300 nan 0.000 0.450 280 D N 0.124 120.630 120.400 0.176 0.000 2.756 280 D HA 0.630 5.321 4.640 0.086 0.000 0.226 280 D C -1.676 174.655 176.300 0.051 0.000 1.186 280 D CA -0.488 53.401 54.000 -0.185 0.000 0.845 280 D CB 2.148 42.889 40.800 -0.100 0.000 1.610 280 D HN 0.746 nan 8.370 nan 0.000 0.465 281 C N 2.214 121.528 119.300 0.023 0.000 3.006 281 C HA 0.433 4.945 4.460 0.086 0.000 0.359 281 C C 0.474 175.515 174.990 0.085 0.000 1.103 281 C CA -0.654 58.460 59.018 0.160 0.000 1.286 281 C CB 1.302 29.242 27.740 0.335 0.000 1.694 281 C HN 0.729 nan 8.230 nan 0.000 0.511 282 V N 6.422 126.354 119.914 0.031 0.000 3.623 282 V HA 0.078 4.250 4.120 0.086 0.000 0.271 282 V C 1.584 177.694 176.094 0.027 0.000 1.248 282 V CA 1.286 63.591 62.300 0.009 0.000 1.156 282 V CB -0.737 31.084 31.823 -0.004 0.000 0.870 282 V HN 0.898 nan 8.190 nan 0.000 0.453 283 L N 1.458 122.711 121.223 0.051 0.000 1.990 283 L HA -0.085 4.306 4.340 0.086 0.000 0.213 283 L C 0.132 177.064 176.870 0.104 0.000 1.072 283 L CA 2.368 57.269 54.840 0.102 0.000 0.755 283 L CB -1.353 40.804 42.059 0.163 0.000 0.889 283 L HN 0.367 nan 8.230 nan 0.000 0.432 284 P HA -0.133 nan 4.420 nan 0.000 0.220 284 P C 1.313 178.628 177.300 0.026 0.000 1.148 284 P CA 1.911 64.982 63.100 -0.050 0.000 0.803 284 P CB -0.170 31.200 31.700 -0.551 0.000 0.782 285 T N -1.638 112.909 114.554 -0.010 0.000 2.781 285 T HA -0.023 4.379 4.350 0.086 0.000 0.252 285 T C 2.115 176.820 174.700 0.008 0.000 1.039 285 T CA 0.561 62.658 62.100 -0.004 0.000 1.147 285 T CB -0.826 68.027 68.868 -0.025 0.000 0.865 285 T HN 0.014 nan 8.240 nan 0.000 0.423 286 R N 1.897 122.406 120.500 0.014 0.000 2.103 286 R HA -0.168 4.223 4.340 0.086 0.000 0.234 286 R C 2.723 179.037 176.300 0.023 0.000 1.132 286 R CA 2.516 58.627 56.100 0.019 0.000 0.925 286 R CB -0.820 29.498 30.300 0.030 0.000 0.842 286 R HN 0.541 nan 8.270 nan 0.000 0.430 287 S N -0.698 115.034 115.700 0.054 0.000 2.402 287 S HA -0.027 4.494 4.470 0.086 0.000 0.229 287 S C 2.150 176.744 174.600 -0.009 0.000 1.021 287 S CA 0.885 59.103 58.200 0.031 0.000 0.974 287 S CB -0.696 62.548 63.200 0.074 0.000 0.800 287 S HN 0.596 nan 8.310 nan 0.000 0.484 288 G N 2.149 110.959 108.800 0.017 0.000 2.469 288 G HA2 -0.208 3.803 3.960 0.086 0.000 0.219 288 G HA3 -0.208 3.803 3.960 0.086 0.000 0.219 288 G C 1.726 176.603 174.900 -0.039 0.000 1.150 288 G CA 0.655 45.749 45.100 -0.009 0.000 0.763 288 G HN 0.581 nan 8.290 nan 0.000 0.561 289 R N 0.202 120.684 120.500 -0.030 0.000 2.189 289 R HA -0.045 4.346 4.340 0.086 0.000 0.223 289 R C 2.072 178.339 176.300 -0.054 0.000 1.092 289 R CA 1.139 57.212 56.100 -0.045 0.000 0.989 289 R CB -0.226 30.054 30.300 -0.035 0.000 0.876 289 R HN 0.499 nan 8.270 nan 0.000 0.457 290 N N -0.236 118.437 118.700 -0.046 0.000 2.398 290 N HA -0.029 4.763 4.740 0.086 0.000 0.188 290 N C 0.844 176.315 175.510 -0.066 0.000 1.122 290 N CA 0.999 54.020 53.050 -0.048 0.000 0.866 290 N CB 0.713 39.182 38.487 -0.030 0.000 0.970 290 N HN 0.223 nan 8.380 nan 0.000 0.462 291 G N -0.452 108.298 108.800 -0.084 0.000 2.179 291 G HA2 -0.279 3.732 3.960 0.086 0.000 0.220 291 G HA3 -0.279 3.732 3.960 0.086 0.000 0.220 291 G C -0.235 174.583 174.900 -0.137 0.000 0.990 291 G CA 0.119 45.158 45.100 -0.102 0.000 0.646 291 G HN 0.618 nan 8.290 nan 0.000 0.517 292 Q N 0.737 120.442 119.800 -0.159 0.000 2.294 292 Q HA 0.670 5.061 4.340 0.086 0.000 0.257 292 Q C 0.089 175.874 176.000 -0.358 0.000 0.955 292 Q CA 0.261 55.900 55.803 -0.275 0.000 0.936 292 Q CB 0.860 29.414 28.738 -0.307 0.000 1.188 292 Q HN 0.887 nan 8.270 nan 0.000 0.420 293 A N 4.444 127.020 122.820 -0.408 0.000 2.318 293 A HA 0.594 4.965 4.320 0.086 0.000 0.324 293 A C -1.296 175.970 177.584 -0.531 0.000 1.170 293 A CA -0.629 51.207 52.037 -0.335 0.000 0.810 293 A CB 0.547 19.377 19.000 -0.283 0.000 1.198 293 A HN 0.746 nan 8.150 nan 0.000 0.484 294 F N 1.663 121.477 119.950 -0.226 0.000 2.412 294 F HA 0.524 5.101 4.527 0.082 0.000 0.348 294 F C 1.343 176.613 175.800 -0.884 0.000 1.102 294 F CA 0.673 58.303 58.000 -0.616 0.000 1.196 294 F CB 1.781 40.295 39.000 -0.811 0.000 1.144 294 F HN 0.659 nan 8.300 nan 0.000 0.541 295 T N -1.789 112.361 114.554 -0.673 0.000 2.883 295 T HA 0.256 4.657 4.350 0.086 0.000 0.296 295 T C 0.172 174.753 174.700 -0.197 0.000 1.117 295 T CA -0.929 60.901 62.100 -0.450 0.000 1.006 295 T CB 0.787 69.552 68.868 -0.172 0.000 1.191 295 T HN 0.597 nan 8.240 nan 0.000 0.508 296 W N 0.298 121.802 121.300 0.340 0.000 2.525 296 W HA 0.100 4.811 4.660 0.085 0.000 0.259 296 W C 1.208 177.800 176.519 0.121 0.000 1.253 296 W CA 0.178 57.757 57.345 0.390 0.000 1.262 296 W CB 0.082 29.727 29.460 0.309 0.000 1.122 296 W HN 0.665 nan 8.180 nan 0.000 0.607 297 D N -0.216 120.274 120.400 0.149 0.000 2.336 297 D HA 0.242 4.934 4.640 0.086 0.000 0.228 297 D C 1.147 177.246 176.300 -0.335 0.000 1.120 297 D CA 1.045 55.005 54.000 -0.066 0.000 0.839 297 D CB -0.001 40.791 40.800 -0.014 0.000 0.932 297 D HN 0.126 nan 8.370 nan 0.000 0.509 298 G N 2.036 110.446 108.800 -0.651 0.000 2.603 298 G HA2 -0.157 3.855 3.960 0.086 0.000 0.686 298 G HA3 -0.157 3.855 3.960 0.086 0.000 0.686 298 G C -3.028 171.525 174.900 -0.578 0.000 1.286 298 G CA -1.179 43.257 45.100 -1.108 0.000 0.871 298 G HN -0.112 nan 8.290 nan 0.000 0.568 299 P HA 0.549 nan 4.420 nan 0.000 0.275 299 P C 0.209 177.327 177.300 -0.303 0.000 1.227 299 P CA -0.211 62.642 63.100 -0.411 0.000 0.781 299 P CB 0.777 32.245 31.700 -0.386 0.000 0.906 300 I N -0.981 119.407 120.570 -0.304 0.000 2.797 300 I HA 0.577 4.799 4.170 0.086 0.000 0.307 300 I C -0.422 175.586 176.117 -0.181 0.000 1.033 300 I CA -1.032 60.163 61.300 -0.175 0.000 1.071 300 I CB 2.244 40.123 38.000 -0.202 0.000 1.255 300 I HN 0.088 nan 8.210 nan 0.000 0.445 301 N N 3.546 122.236 118.700 -0.017 0.000 2.469 301 N HA 0.237 5.029 4.740 0.086 0.000 0.253 301 N C 0.294 175.850 175.510 0.078 0.000 0.970 301 N CA -0.398 52.639 53.050 -0.021 0.000 0.940 301 N CB 1.745 40.238 38.487 0.009 0.000 1.128 301 N HN 0.832 nan 8.380 nan 0.000 0.503 302 I N 4.303 124.815 120.570 -0.096 0.000 2.700 302 I HA -0.067 4.154 4.170 0.086 0.000 0.261 302 I C 1.977 178.239 176.117 0.242 0.000 1.219 302 I CA 0.957 62.203 61.300 -0.090 0.000 1.463 302 I CB 0.005 37.881 38.000 -0.206 0.000 1.092 302 I HN 0.491 nan 8.210 nan 0.000 0.452 303 R N 0.303 120.890 120.500 0.145 0.000 2.235 303 R HA -0.061 4.331 4.340 0.086 0.000 0.213 303 R C 0.966 177.450 176.300 0.306 0.000 1.059 303 R CA 0.046 56.226 56.100 0.134 0.000 0.997 303 R CB -0.575 29.732 30.300 0.012 0.000 0.884 303 R HN 0.381 nan 8.270 nan 0.000 0.462 304 N N 1.060 119.963 118.700 0.339 0.000 2.458 304 N HA -0.066 4.725 4.740 0.086 0.000 0.258 304 N C 0.781 176.377 175.510 0.144 0.000 1.219 304 N CA 0.383 53.544 53.050 0.186 0.000 0.902 304 N CB 1.175 39.712 38.487 0.083 0.000 1.076 304 N HN 0.086 nan 8.380 nan 0.000 0.455 305 A N 5.014 127.870 122.820 0.059 0.000 2.032 305 A HA -0.222 4.150 4.320 0.086 0.000 0.221 305 A C 2.005 179.454 177.584 -0.224 0.000 1.165 305 A CA 1.657 53.679 52.037 -0.025 0.000 0.645 305 A CB -0.429 18.564 19.000 -0.012 0.000 0.807 305 A HN 0.915 nan 8.150 nan 0.000 0.453 306 R N -1.920 118.374 120.500 -0.344 0.000 2.293 306 R HA -0.050 4.342 4.340 0.086 0.000 0.219 306 R C 0.667 176.628 176.300 -0.566 0.000 1.091 306 R CA 1.500 57.315 56.100 -0.475 0.000 1.004 306 R CB -0.511 29.426 30.300 -0.604 0.000 0.865 306 R HN 0.418 nan 8.270 nan 0.000 0.469 307 F N 1.498 121.298 119.950 -0.250 0.000 2.727 307 F HA 0.168 4.749 4.527 0.090 0.000 0.302 307 F C 2.249 177.793 175.800 -0.427 0.000 1.097 307 F CA 0.214 58.055 58.000 -0.265 0.000 1.330 307 F CB 0.406 39.311 39.000 -0.159 0.000 1.084 307 F HN 0.115 nan 8.300 nan 0.000 0.578 308 S N -0.066 115.324 115.700 -0.518 0.000 2.419 308 S HA -0.167 4.354 4.470 0.086 0.000 0.233 308 S C 1.195 175.741 174.600 -0.089 0.000 1.016 308 S CA 1.423 59.360 58.200 -0.437 0.000 0.974 308 S CB -0.338 62.717 63.200 -0.241 0.000 0.786 308 S HN 0.556 nan 8.310 nan 0.000 0.492 309 E N 0.434 120.597 120.200 -0.062 0.000 2.758 309 E HA 0.187 4.588 4.350 0.086 0.000 0.215 309 E C -1.007 175.604 176.600 0.020 0.000 0.985 309 E CA -0.256 56.142 56.400 -0.004 0.000 1.102 309 E CB 0.368 30.060 29.700 -0.013 0.000 1.042 309 E HN 0.342 nan 8.360 nan 0.000 0.480 310 D N 1.316 121.743 120.400 0.045 0.000 2.336 310 D HA 0.072 4.764 4.640 0.086 0.000 0.249 310 D C 0.758 177.110 176.300 0.086 0.000 1.213 310 D CA -0.022 54.027 54.000 0.082 0.000 0.870 310 D CB 0.918 41.823 40.800 0.175 0.000 1.076 310 D HN 0.144 nan 8.370 nan 0.000 0.483 311 L N 3.066 124.328 121.223 0.064 0.000 2.554 311 L HA 0.046 4.437 4.340 0.086 0.000 0.226 311 L C 1.313 178.217 176.870 0.058 0.000 1.137 311 L CA 0.318 55.195 54.840 0.061 0.000 0.863 311 L CB -0.126 41.957 42.059 0.041 0.000 0.985 311 L HN 0.148 nan 8.230 nan 0.000 0.451 312 K N 1.359 121.793 120.400 0.057 0.000 2.319 312 K HA 0.153 4.524 4.320 0.086 0.000 0.265 312 K C -2.121 174.501 176.600 0.037 0.000 1.000 312 K CA -1.649 54.665 56.287 0.046 0.000 0.943 312 K CB 0.064 32.593 32.500 0.048 0.000 0.950 312 K HN -0.155 nan 8.250 nan 0.000 0.485 313 P HA -0.021 nan 4.420 nan 0.000 0.273 313 P C 0.744 178.007 177.300 -0.061 0.000 1.250 313 P CA -0.056 63.052 63.100 0.013 0.000 0.793 313 P CB 0.545 32.265 31.700 0.033 0.000 1.011 314 L N -0.637 120.491 121.223 -0.158 0.000 2.021 314 L HA -0.161 4.230 4.340 0.086 0.000 0.215 314 L C 1.228 177.959 176.870 -0.233 0.000 1.074 314 L CA 1.919 56.563 54.840 -0.326 0.000 0.760 314 L CB -0.617 41.046 42.059 -0.659 0.000 0.889 314 L HN 0.515 nan 8.230 nan 0.000 0.433 315 D N -2.274 118.062 120.400 -0.107 0.000 2.780 315 D HA 0.132 4.824 4.640 0.086 0.000 0.242 315 D C 0.792 177.162 176.300 0.117 0.000 1.135 315 D CA 0.001 54.036 54.000 0.059 0.000 0.859 315 D CB 1.504 42.427 40.800 0.206 0.000 1.530 315 D HN -0.019 nan 8.370 nan 0.000 0.493 316 S N 2.373 118.155 115.700 0.136 0.000 2.481 316 S HA -0.066 4.456 4.470 0.086 0.000 0.231 316 S C 0.959 175.626 174.600 0.111 0.000 0.996 316 S CA 0.723 58.989 58.200 0.110 0.000 0.942 316 S CB -0.074 63.186 63.200 0.101 0.000 0.768 316 S HN 0.630 nan 8.310 nan 0.000 0.520 317 E N -0.397 119.906 120.200 0.172 0.000 2.434 317 E HA 0.205 4.606 4.350 0.086 0.000 0.207 317 E C 0.418 176.950 176.600 -0.112 0.000 0.929 317 E CA -0.275 56.163 56.400 0.063 0.000 1.001 317 E CB 0.536 30.303 29.700 0.111 0.000 1.016 317 E HN 0.494 nan 8.360 nan 0.000 0.502 318 C N 1.892 121.266 119.300 0.124 0.000 2.465 318 C HA -0.066 4.445 4.460 0.086 0.000 0.402 318 C C 1.226 176.181 174.990 -0.058 0.000 1.448 318 C CA 0.276 59.365 59.018 0.119 0.000 1.589 318 C CB -0.491 27.468 27.740 0.364 0.000 2.535 318 C HN 0.451 nan 8.230 nan 0.000 0.600 319 H N 3.256 122.456 119.070 0.217 0.000 2.539 319 H HA 0.146 4.751 4.556 0.082 0.000 0.269 319 H C 1.359 176.776 175.328 0.149 0.000 0.980 319 H CA 0.246 56.385 56.048 0.152 0.000 1.152 319 H CB -0.161 29.672 29.762 0.119 0.000 1.407 319 H HN 0.881 nan 8.280 nan 0.000 0.564 320 C N 0.052 119.508 119.300 0.260 0.000 2.656 320 C HA 0.516 5.027 4.460 0.086 0.000 0.391 320 C C 2.226 177.347 174.990 0.218 0.000 1.300 320 C CA -0.029 59.131 59.018 0.237 0.000 2.302 320 C CB 0.423 28.320 27.740 0.260 0.000 2.655 320 C HN 0.508 nan 8.230 nan 0.000 0.656 321 A N 2.102 125.046 122.820 0.207 0.000 2.015 321 A HA 0.028 4.400 4.320 0.086 0.000 0.219 321 A C 2.034 179.769 177.584 0.252 0.000 1.163 321 A CA 1.888 54.037 52.037 0.187 0.000 0.646 321 A CB -0.761 18.353 19.000 0.190 0.000 0.806 321 A HN 1.025 nan 8.150 nan 0.000 0.448 322 V N -1.114 119.013 119.914 0.355 0.000 2.358 322 V HA -0.286 3.886 4.120 0.086 0.000 0.246 322 V C 2.458 178.762 176.094 0.350 0.000 1.047 322 V CA 2.034 64.634 62.300 0.500 0.000 1.035 322 V CB -1.015 31.038 31.823 0.383 0.000 0.658 322 V HN 0.687 nan 8.190 nan 0.000 0.452 323 C N -0.252 119.190 119.300 0.236 0.000 2.468 323 C HA 0.015 4.526 4.460 0.086 0.000 0.277 323 C C 3.252 178.295 174.990 0.090 0.000 1.400 323 C CA 0.801 59.908 59.018 0.148 0.000 1.770 323 C CB -1.203 26.629 27.740 0.152 0.000 1.905 323 C HN 0.716 nan 8.230 nan 0.000 0.519 324 Q N 0.818 120.662 119.800 0.073 0.000 2.172 324 Q HA -0.121 4.271 4.340 0.086 0.000 0.200 324 Q C 1.830 177.758 176.000 -0.120 0.000 0.964 324 Q CA 1.715 57.515 55.803 -0.004 0.000 0.855 324 Q CB -0.402 28.338 28.738 0.004 0.000 0.918 324 Q HN 0.809 nan 8.270 nan 0.000 0.444 325 K N -2.678 117.577 120.400 -0.241 0.000 2.387 325 K HA 0.184 4.556 4.320 0.086 0.000 0.197 325 K C -0.191 175.992 176.600 -0.694 0.000 1.127 325 K CA -0.211 55.675 56.287 -0.667 0.000 0.950 325 K CB 0.944 32.630 32.500 -1.356 0.000 1.017 325 K HN 0.479 nan 8.250 nan 0.000 0.519 326 W N 1.564 122.897 121.300 0.056 0.000 2.950 326 W HA 0.300 4.984 4.660 0.040 0.000 0.340 326 W C 0.022 176.589 176.519 0.079 0.000 1.139 326 W CA -0.996 56.399 57.345 0.083 0.000 1.188 326 W CB 1.453 31.036 29.460 0.204 0.000 1.426 326 W HN -0.133 nan 8.180 nan 0.000 0.531 327 S N 0.713 116.615 115.700 0.336 0.000 2.646 327 S HA 0.392 4.914 4.470 0.086 0.000 0.276 327 S C 1.031 175.747 174.600 0.193 0.000 1.222 327 S CA -0.498 57.827 58.200 0.208 0.000 1.014 327 S CB 2.083 65.383 63.200 0.168 0.000 0.991 327 S HN 0.498 nan 8.310 nan 0.000 0.533 328 R N 0.931 121.485 120.500 0.090 0.000 2.119 328 R HA -0.174 4.218 4.340 0.086 0.000 0.246 328 R C 2.571 178.949 176.300 0.130 0.000 1.146 328 R CA 1.739 57.855 56.100 0.027 0.000 0.962 328 R CB -1.135 29.149 30.300 -0.026 0.000 0.863 328 R HN 0.854 nan 8.270 nan 0.000 0.442 329 A N 0.219 123.140 122.820 0.169 0.000 1.908 329 A HA -0.236 4.136 4.320 0.086 0.000 0.218 329 A C 2.001 179.765 177.584 0.301 0.000 1.181 329 A CA 1.420 53.577 52.037 0.200 0.000 0.627 329 A CB -0.717 18.375 19.000 0.154 0.000 0.818 329 A HN 0.481 nan 8.150 nan 0.000 0.445 330 Y N 0.382 120.781 120.300 0.165 0.000 2.200 330 Y HA -0.101 4.495 4.550 0.077 0.000 0.290 330 Y C 1.967 177.958 175.900 0.152 0.000 1.137 330 Y CA 1.449 59.658 58.100 0.181 0.000 1.163 330 Y CB -0.286 38.289 38.460 0.192 0.000 0.988 330 Y HN 0.264 nan 8.280 nan 0.000 0.518 331 I N -0.558 120.015 120.570 0.005 0.000 2.315 331 I HA -0.303 3.919 4.170 0.086 0.000 0.248 331 I C 2.421 178.471 176.117 -0.112 0.000 1.117 331 I CA 1.674 62.875 61.300 -0.164 0.000 1.404 331 I CB -0.618 37.327 38.000 -0.092 0.000 1.071 331 I HN 0.298 nan 8.210 nan 0.000 0.419 332 H N 0.639 119.669 119.070 -0.067 0.000 2.289 332 H HA -0.335 4.272 4.556 0.085 0.000 0.296 332 H C 2.385 177.694 175.328 -0.032 0.000 1.091 332 H CA 2.604 58.641 56.048 -0.018 0.000 1.274 332 H CB -0.286 29.527 29.762 0.084 0.000 1.364 332 H HN 0.431 nan 8.280 nan 0.000 0.490 333 H N -0.131 118.905 119.070 -0.057 0.000 2.319 333 H HA -0.110 4.497 4.556 0.084 0.000 0.299 333 H C 2.262 177.455 175.328 -0.225 0.000 1.092 333 H CA 2.232 58.212 56.048 -0.114 0.000 1.302 333 H CB -0.481 29.289 29.762 0.013 0.000 1.373 333 H HN 0.427 nan 8.280 nan 0.000 0.497 334 L N -0.189 120.695 121.223 -0.566 0.000 2.046 334 L HA -0.159 4.232 4.340 0.086 0.000 0.208 334 L C 2.394 179.007 176.870 -0.428 0.000 1.077 334 L CA 0.846 55.324 54.840 -0.603 0.000 0.747 334 L CB -0.371 41.356 42.059 -0.553 0.000 0.896 334 L HN 0.371 nan 8.230 nan 0.000 0.432 335 I N -0.248 120.118 120.570 -0.340 0.000 2.252 335 I HA -0.210 4.011 4.170 0.086 0.000 0.245 335 I C 2.698 178.658 176.117 -0.262 0.000 1.102 335 I CA 1.362 62.507 61.300 -0.259 0.000 1.385 335 I CB -1.020 36.857 38.000 -0.205 0.000 1.064 335 I HN 0.294 nan 8.210 nan 0.000 0.414 336 R N 0.775 121.076 120.500 -0.332 0.000 2.105 336 R HA -0.118 4.273 4.340 0.086 0.000 0.239 336 R C 2.033 178.191 176.300 -0.237 0.000 1.135 336 R CA 1.529 57.457 56.100 -0.286 0.000 0.967 336 R CB -0.284 29.800 30.300 -0.360 0.000 0.861 336 R HN 0.332 nan 8.270 nan 0.000 0.442 337 A N -0.060 122.571 122.820 -0.315 0.000 2.238 337 A HA 0.185 4.556 4.320 0.086 0.000 0.208 337 A C 1.341 178.807 177.584 -0.197 0.000 1.177 337 A CA 0.744 52.622 52.037 -0.264 0.000 0.804 337 A CB -0.041 18.715 19.000 -0.407 0.000 0.823 337 A HN 0.451 nan 8.150 nan 0.000 0.482 338 G N -0.353 108.332 108.800 -0.192 0.000 2.176 338 G HA2 -0.219 3.792 3.960 0.086 0.000 0.252 338 G HA3 -0.219 3.792 3.960 0.086 0.000 0.252 338 G C -0.192 174.622 174.900 -0.142 0.000 1.024 338 G CA 0.299 45.314 45.100 -0.143 0.000 0.755 338 G HN 0.515 nan 8.290 nan 0.000 0.507 339 E N -0.542 119.545 120.200 -0.189 0.000 2.338 339 E HA 0.330 4.731 4.350 0.086 0.000 0.272 339 E C 1.786 178.296 176.600 -0.150 0.000 1.029 339 E CA -0.571 55.728 56.400 -0.168 0.000 0.872 339 E CB 0.786 30.358 29.700 -0.213 0.000 1.015 339 E HN 0.300 nan 8.360 nan 0.000 0.417 340 I N 2.350 122.854 120.570 -0.110 0.000 2.264 340 I HA -0.311 3.911 4.170 0.086 0.000 0.248 340 I C 2.245 178.293 176.117 -0.115 0.000 1.111 340 I CA 0.770 62.013 61.300 -0.095 0.000 1.382 340 I CB -0.163 37.797 38.000 -0.067 0.000 1.060 340 I HN 0.430 nan 8.210 nan 0.000 0.418 341 L N 1.170 122.312 121.223 -0.135 0.000 2.127 341 L HA -0.108 4.283 4.340 0.086 0.000 0.211 341 L C 2.287 179.021 176.870 -0.227 0.000 1.089 341 L CA 2.032 56.768 54.840 -0.174 0.000 0.757 341 L CB -1.092 40.860 42.059 -0.178 0.000 0.899 341 L HN 0.186 nan 8.230 nan 0.000 0.434 342 G N -1.019 107.635 108.800 -0.244 0.000 2.446 342 G HA2 -0.288 3.723 3.960 0.086 0.000 0.217 342 G HA3 -0.288 3.723 3.960 0.086 0.000 0.217 342 G C 1.621 176.419 174.900 -0.170 0.000 1.168 342 G CA 0.835 45.788 45.100 -0.246 0.000 0.771 342 G HN 0.620 nan 8.290 nan 0.000 0.551 343 A N 0.575 123.314 122.820 -0.134 0.000 1.902 343 A HA -0.012 4.359 4.320 0.086 0.000 0.217 343 A C 2.486 180.025 177.584 -0.075 0.000 1.181 343 A CA 1.960 53.942 52.037 -0.092 0.000 0.623 343 A CB -0.388 18.566 19.000 -0.077 0.000 0.818 343 A HN 0.394 nan 8.150 nan 0.000 0.443 344 M N -0.612 118.936 119.600 -0.087 0.000 2.080 344 M HA -0.139 4.393 4.480 0.086 0.000 0.260 344 M C 2.108 178.374 176.300 -0.057 0.000 1.068 344 M CA 1.580 56.840 55.300 -0.067 0.000 1.109 344 M CB -0.505 32.047 32.600 -0.080 0.000 1.342 344 M HN 0.367 nan 8.290 nan 0.000 0.405 345 L N -0.891 120.266 121.223 -0.110 0.000 2.072 345 L HA -0.159 4.232 4.340 0.086 0.000 0.205 345 L C 2.661 179.537 176.870 0.009 0.000 1.079 345 L CA 0.681 55.475 54.840 -0.077 0.000 0.752 345 L CB -0.567 41.367 42.059 -0.208 0.000 0.906 345 L HN 0.382 nan 8.230 nan 0.000 0.436 346 M N -0.584 118.999 119.600 -0.028 0.000 2.117 346 M HA -0.145 4.386 4.480 0.086 0.000 0.262 346 M C 2.312 178.657 176.300 0.075 0.000 1.065 346 M CA 1.783 57.093 55.300 0.017 0.000 1.114 346 M CB -1.267 31.310 32.600 -0.039 0.000 1.361 346 M HN 0.234 nan 8.290 nan 0.000 0.408 347 T N -0.138 114.437 114.554 0.035 0.000 2.777 347 T HA -0.154 4.247 4.350 0.086 0.000 0.266 347 T C 1.746 176.484 174.700 0.063 0.000 1.040 347 T CA 1.483 63.606 62.100 0.039 0.000 1.141 347 T CB -0.159 68.713 68.868 0.007 0.000 0.868 347 T HN 0.469 nan 8.240 nan 0.000 0.444 348 E N 0.318 120.565 120.200 0.078 0.000 2.058 348 E HA -0.276 4.126 4.350 0.086 0.000 0.194 348 E C 2.082 178.766 176.600 0.140 0.000 0.997 348 E CA 1.529 57.992 56.400 0.106 0.000 0.801 348 E CB -0.149 29.625 29.700 0.124 0.000 0.746 348 E HN 0.668 nan 8.360 nan 0.000 0.450 349 H N 0.520 119.652 119.070 0.103 0.000 2.290 349 H HA -0.104 4.501 4.556 0.081 0.000 0.298 349 H C 1.914 177.344 175.328 0.169 0.000 1.087 349 H CA 2.402 58.529 56.048 0.131 0.000 1.291 349 H CB -0.157 29.661 29.762 0.093 0.000 1.369 349 H HN 0.140 nan 8.280 nan 0.000 0.492 350 N N 0.245 118.956 118.700 0.019 0.000 2.120 350 N HA -0.118 4.673 4.740 0.086 0.000 0.188 350 N C 1.883 177.427 175.510 0.056 0.000 1.024 350 N CA 1.272 54.361 53.050 0.066 0.000 0.852 350 N CB -0.140 38.478 38.487 0.218 0.000 1.003 350 N HN 0.388 nan 8.380 nan 0.000 0.424 351 I N 0.974 121.553 120.570 0.014 0.000 2.394 351 I HA -0.089 4.133 4.170 0.086 0.000 0.251 351 I C 2.157 178.308 176.117 0.057 0.000 1.136 351 I CA 0.478 61.784 61.300 0.011 0.000 1.425 351 I CB -1.356 36.665 38.000 0.035 0.000 1.079 351 I HN -0.003 nan 8.210 nan 0.000 0.425 352 A N 0.521 123.368 122.820 0.046 0.000 1.930 352 A HA -0.241 4.130 4.320 0.086 0.000 0.217 352 A C 2.290 179.887 177.584 0.022 0.000 1.175 352 A CA 1.114 53.186 52.037 0.059 0.000 0.627 352 A CB -0.976 18.078 19.000 0.089 0.000 0.815 352 A HN 0.359 nan 8.150 nan 0.000 0.443 353 F N -0.677 119.151 119.950 -0.204 0.000 2.069 353 F HA -0.224 4.352 4.527 0.081 0.000 0.298 353 F C 2.146 177.826 175.800 -0.201 0.000 1.113 353 F CA 2.004 59.845 58.000 -0.265 0.000 1.214 353 F CB -0.459 38.279 39.000 -0.436 0.000 0.978 353 F HN 0.293 nan 8.300 nan 0.000 0.474 354 Y N 0.814 120.965 120.300 -0.249 0.000 2.165 354 Y HA -0.276 4.325 4.550 0.085 0.000 0.286 354 Y C 2.629 178.348 175.900 -0.303 0.000 1.155 354 Y CA 1.873 59.708 58.100 -0.442 0.000 1.164 354 Y CB -0.803 37.197 38.460 -0.765 0.000 0.978 354 Y HN 0.164 nan 8.280 nan 0.000 0.513 355 Q N 0.036 119.839 119.800 0.006 0.000 2.119 355 Q HA -0.209 4.182 4.340 0.086 0.000 0.201 355 Q C 2.121 178.115 176.000 -0.010 0.000 0.972 355 Q CA 1.452 57.281 55.803 0.043 0.000 0.847 355 Q CB -0.482 28.313 28.738 0.095 0.000 0.903 355 Q HN 0.636 nan 8.270 nan 0.000 0.433 356 Q N 0.214 119.991 119.800 -0.039 0.000 2.124 356 Q HA -0.141 4.250 4.340 0.086 0.000 0.202 356 Q C 2.131 178.127 176.000 -0.007 0.000 0.977 356 Q CA 0.909 56.721 55.803 0.014 0.000 0.850 356 Q CB -0.176 28.625 28.738 0.105 0.000 0.901 356 Q HN 0.190 nan 8.270 nan 0.000 0.429 357 L N 0.143 121.274 121.223 -0.152 0.000 2.017 357 L HA -0.198 4.193 4.340 0.086 0.000 0.208 357 L C 2.002 178.791 176.870 -0.134 0.000 1.073 357 L CA 1.752 56.532 54.840 -0.101 0.000 0.745 357 L CB -0.328 41.483 42.059 -0.412 0.000 0.894 357 L HN 0.222 nan 8.230 nan 0.000 0.432 358 M N -1.077 118.449 119.600 -0.124 0.000 2.159 358 M HA -0.164 4.368 4.480 0.086 0.000 0.263 358 M C 2.317 178.562 176.300 -0.092 0.000 1.063 358 M CA 1.491 56.746 55.300 -0.075 0.000 1.110 358 M CB -1.456 31.161 32.600 0.028 0.000 1.374 358 M HN 0.393 nan 8.290 nan 0.000 0.411 359 Q N 1.003 120.757 119.800 -0.076 0.000 2.084 359 Q HA -0.100 4.292 4.340 0.086 0.000 0.202 359 Q C 1.879 177.775 176.000 -0.173 0.000 0.978 359 Q CA 1.779 57.529 55.803 -0.088 0.000 0.844 359 Q CB -0.105 28.606 28.738 -0.045 0.000 0.898 359 Q HN 0.462 nan 8.270 nan 0.000 0.426 360 K N -0.311 119.945 120.400 -0.239 0.000 2.097 360 K HA -0.101 4.270 4.320 0.086 0.000 0.206 360 K C 2.076 178.261 176.600 -0.692 0.000 1.049 360 K CA 1.452 57.451 56.287 -0.480 0.000 0.933 360 K CB -0.203 31.951 32.500 -0.577 0.000 0.717 360 K HN 0.266 nan 8.250 nan 0.000 0.442 361 I N 0.821 121.077 120.570 -0.523 0.000 2.179 361 I HA -0.300 3.922 4.170 0.086 0.000 0.242 361 I C 2.448 178.365 176.117 -0.334 0.000 1.088 361 I CA 1.318 62.379 61.300 -0.399 0.000 1.357 361 I CB -0.209 37.655 38.000 -0.228 0.000 1.051 361 I HN 0.139 nan 8.210 nan 0.000 0.409 362 R N 0.545 120.903 120.500 -0.237 0.000 2.073 362 R HA -0.176 4.215 4.340 0.086 0.000 0.234 362 R C 1.941 178.146 176.300 -0.158 0.000 1.134 362 R CA 1.735 57.731 56.100 -0.173 0.000 0.952 362 R CB -0.441 29.794 30.300 -0.107 0.000 0.850 362 R HN 0.361 nan 8.270 nan 0.000 0.433 363 D N 0.069 120.369 120.400 -0.167 0.000 2.144 363 D HA -0.116 4.575 4.640 0.086 0.000 0.200 363 D C 2.067 178.300 176.300 -0.112 0.000 0.978 363 D CA 1.746 55.669 54.000 -0.128 0.000 0.833 363 D CB -0.195 40.527 40.800 -0.130 0.000 0.961 363 D HN 0.222 nan 8.370 nan 0.000 0.470 364 S N 0.286 115.894 115.700 -0.152 0.000 2.383 364 S HA -0.086 4.436 4.470 0.086 0.000 0.227 364 S C 2.253 176.868 174.600 0.026 0.000 1.026 364 S CA 0.459 58.633 58.200 -0.044 0.000 0.981 364 S CB -0.608 62.581 63.200 -0.019 0.000 0.818 364 S HN 0.232 nan 8.310 nan 0.000 0.472 365 I N 2.072 122.610 120.570 -0.054 0.000 2.226 365 I HA -0.136 4.085 4.170 0.086 0.000 0.245 365 I C 2.684 178.781 176.117 -0.032 0.000 1.100 365 I CA 1.234 62.505 61.300 -0.049 0.000 1.374 365 I CB -0.602 37.281 38.000 -0.197 0.000 1.057 365 I HN 0.287 nan 8.210 nan 0.000 0.413 366 S N 0.202 115.868 115.700 -0.057 0.000 2.400 366 S HA -0.185 4.337 4.470 0.086 0.000 0.232 366 S C 1.620 176.206 174.600 -0.023 0.000 1.025 366 S CA 1.294 59.467 58.200 -0.045 0.000 0.993 366 S CB -0.283 62.884 63.200 -0.055 0.000 0.808 366 S HN 0.501 nan 8.310 nan 0.000 0.478 367 E N -0.068 120.125 120.200 -0.013 0.000 2.463 367 E HA 0.255 4.656 4.350 0.086 0.000 0.193 367 E C 0.958 177.572 176.600 0.022 0.000 1.041 367 E CA 0.094 56.494 56.400 0.001 0.000 0.879 367 E CB 0.242 29.940 29.700 -0.003 0.000 0.997 367 E HN 0.474 nan 8.360 nan 0.000 0.478 368 G N 2.962 111.784 108.800 0.037 0.000 2.221 368 G HA2 -0.344 3.667 3.960 0.086 0.000 0.265 368 G HA3 -0.344 3.667 3.960 0.086 0.000 0.265 368 G C 0.505 175.453 174.900 0.080 0.000 1.041 368 G CA 0.758 45.893 45.100 0.058 0.000 0.807 368 G HN 0.428 nan 8.290 nan 0.000 0.502 369 R N -1.617 118.947 120.500 0.108 0.000 2.642 369 R HA 0.462 4.854 4.340 0.086 0.000 0.435 369 R C 1.258 177.674 176.300 0.194 0.000 1.046 369 R CA -0.193 55.977 56.100 0.117 0.000 1.103 369 R CB -0.191 30.161 30.300 0.087 0.000 1.425 369 R HN 0.268 nan 8.270 nan 0.000 0.586 370 F N 1.810 121.802 119.950 0.070 0.000 2.206 370 F HA -0.020 4.558 4.527 0.085 0.000 0.298 370 F C 2.265 178.157 175.800 0.154 0.000 1.090 370 F CA 1.565 59.638 58.000 0.121 0.000 1.323 370 F CB 0.059 39.098 39.000 0.066 0.000 1.028 370 F HN 0.169 nan 8.300 nan 0.000 0.492 371 S N -0.397 115.236 115.700 -0.110 0.000 2.402 371 S HA -0.238 4.283 4.470 0.086 0.000 0.229 371 S C 2.083 176.597 174.600 -0.143 0.000 1.021 371 S CA 1.405 59.460 58.200 -0.242 0.000 0.974 371 S CB -0.544 62.600 63.200 -0.094 0.000 0.800 371 S HN 0.567 nan 8.310 nan 0.000 0.484 372 Q N 0.421 120.203 119.800 -0.028 0.000 2.079 372 Q HA -0.013 4.379 4.340 0.086 0.000 0.200 372 Q C 1.719 177.723 176.000 0.007 0.000 0.974 372 Q CA 1.814 57.616 55.803 -0.002 0.000 0.840 372 Q CB -0.890 27.870 28.738 0.037 0.000 0.898 372 Q HN 0.665 nan 8.270 nan 0.000 0.430 373 F N 0.368 120.282 119.950 -0.060 0.000 2.126 373 F HA -0.150 4.428 4.527 0.085 0.000 0.299 373 F C 1.860 177.642 175.800 -0.030 0.000 1.096 373 F CA 1.717 59.704 58.000 -0.022 0.000 1.255 373 F CB -0.691 38.339 39.000 0.050 0.000 0.997 373 F HN 0.136 nan 8.300 nan 0.000 0.479 374 A N -0.183 122.453 122.820 -0.308 0.000 1.902 374 A HA -0.210 4.162 4.320 0.086 0.000 0.217 374 A C 2.037 179.524 177.584 -0.162 0.000 1.181 374 A CA 1.743 53.576 52.037 -0.340 0.000 0.623 374 A CB -0.805 17.901 19.000 -0.490 0.000 0.818 374 A HN 0.486 nan 8.150 nan 0.000 0.443 375 Q N 0.470 120.187 119.800 -0.138 0.000 2.020 375 Q HA -0.137 4.254 4.340 0.086 0.000 0.202 375 Q C 1.665 177.626 176.000 -0.066 0.000 0.982 375 Q CA 1.882 57.647 55.803 -0.064 0.000 0.838 375 Q CB -0.464 28.242 28.738 -0.052 0.000 0.899 375 Q HN 0.668 nan 8.270 nan 0.000 0.423 376 D N -0.397 119.940 120.400 -0.106 0.000 2.104 376 D HA -0.169 4.522 4.640 0.086 0.000 0.194 376 D C 1.642 177.860 176.300 -0.137 0.000 0.994 376 D CA 0.873 54.812 54.000 -0.101 0.000 0.830 376 D CB -0.482 40.265 40.800 -0.088 0.000 0.959 376 D HN 0.220 nan 8.370 nan 0.000 0.452 377 F N 2.038 121.743 119.950 -0.410 0.000 2.065 377 F HA -0.204 4.374 4.527 0.085 0.000 0.298 377 F C 2.341 178.086 175.800 -0.093 0.000 1.112 377 F CA 1.657 59.442 58.000 -0.359 0.000 1.212 377 F CB -0.119 38.481 39.000 -0.667 0.000 0.975 377 F HN -0.209 nan 8.300 nan 0.000 0.476 378 R N 0.189 120.598 120.500 -0.152 0.000 2.096 378 R HA -0.087 4.305 4.340 0.086 0.000 0.235 378 R C 2.451 178.784 176.300 0.054 0.000 1.127 378 R CA 1.130 57.219 56.100 -0.019 0.000 0.968 378 R CB -0.855 29.615 30.300 0.283 0.000 0.861 378 R HN 0.442 nan 8.270 nan 0.000 0.440 379 A N 0.924 123.749 122.820 0.009 0.000 1.972 379 A HA -0.170 4.201 4.320 0.086 0.000 0.219 379 A C 2.105 179.691 177.584 0.003 0.000 1.169 379 A CA 1.251 53.309 52.037 0.035 0.000 0.635 379 A CB -0.321 18.685 19.000 0.010 0.000 0.810 379 A HN 0.215 nan 8.150 nan 0.000 0.446 380 R N -2.605 117.854 120.500 -0.069 0.000 2.090 380 R HA -0.024 4.367 4.340 0.086 0.000 0.219 380 R C 2.016 178.241 176.300 -0.126 0.000 1.100 380 R CA 1.000 57.061 56.100 -0.064 0.000 0.991 380 R CB -0.396 29.883 30.300 -0.035 0.000 0.893 380 R HN 0.513 nan 8.270 nan 0.000 0.443 381 Y N 0.132 120.136 120.300 -0.493 0.000 2.274 381 Y HA -0.093 4.507 4.550 0.084 0.000 0.290 381 Y C -0.124 175.394 175.900 -0.637 0.000 1.145 381 Y CA 1.149 58.829 58.100 -0.701 0.000 1.203 381 Y CB 0.095 37.729 38.460 -1.377 0.000 0.984 381 Y HN -0.093 nan 8.280 nan 0.000 0.533 382 F N 0.000 119.917 119.950 -0.055 0.000 2.286 382 F HA 0.000 4.579 4.527 0.087 0.000 0.279 382 F CA 0.000 57.967 58.000 -0.055 0.000 1.383 382 F CB 0.000 39.004 39.000 0.006 0.000 1.145 382 F HN 0.000 nan 8.300 nan 0.000 0.574