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 3eos_1_A DATA FIRST_RESID 11 DATA SEQUENCE RPRFSFSIAA REGKARTGTI EMKRGVIRTP AFMPVGTAAT VKALKPETVR DATA SEQUENCE ATGADIILGN TYHLMLRPGA ERIAKLGGLH SFMGWDRPIL TDSGGYQVMS DATA SEQUENCE LXXXXKQSEE GVTFXXXXXX XXHMLSPERS IEIQHLLGSD IVMAFDECTP DATA SEQUENCE YPATPSRAAS SMERSMRWAK RSRDAFDSRK EQAENAALFG IQQGSVFENL DATA SEQUENCE RQQSADALAE IGFDGYAVGG LAVGEGQDEM FRVLDFSVPM LPDDKPHYLM DATA SEQUENCE GVGKPDDIVG AVERGIDMFD CVLPXXXXXN GQAFTWDGPI NIRNARFSED DATA SEQUENCE LKPLDSECHC AVCQKWSRAY IHHLIRAGEI LGAMLMTEHN IAFYQQLMQK DATA SEQUENCE IRDSISEGRF SQFAQDFRAR YFA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 11 R HA 0.000 nan 4.340 nan 0.000 0.208 11 R C 0.000 176.310 176.300 0.016 0.000 0.893 11 R CA 0.000 56.100 56.100 0.001 0.000 0.921 11 R CB 0.000 30.298 30.300 -0.004 0.000 0.687 12 P HA 0.158 nan 4.420 nan 0.000 0.276 12 P C -0.194 177.154 177.300 0.081 0.000 1.261 12 P CA -0.481 62.649 63.100 0.049 0.000 0.800 12 P CB 0.875 32.604 31.700 0.048 0.000 1.066 13 R N 0.059 120.630 120.500 0.118 0.000 2.083 13 R HA -0.085 4.306 4.340 0.086 0.000 0.237 13 R C -0.298 176.173 176.300 0.285 0.000 1.137 13 R CA 1.266 57.470 56.100 0.174 0.000 0.951 13 R CB -0.134 30.273 30.300 0.177 0.000 0.851 13 R HN 0.534 nan 8.270 nan 0.000 0.434 14 F N -0.567 119.437 119.950 0.090 0.000 2.670 14 F HA 0.288 4.866 4.527 0.085 0.000 0.332 14 F C -1.622 174.241 175.800 0.106 0.000 1.179 14 F CA -0.563 57.502 58.000 0.108 0.000 1.076 14 F CB 1.950 41.028 39.000 0.131 0.000 1.322 14 F HN -0.147 nan 8.300 nan 0.000 0.515 15 S N 6.611 122.087 115.700 -0.374 0.000 2.720 15 S HA 0.547 5.069 4.470 0.086 0.000 0.278 15 S C -1.991 172.436 174.600 -0.288 0.000 1.172 15 S CA -0.362 57.714 58.200 -0.207 0.000 1.019 15 S CB 0.543 63.699 63.200 -0.073 0.000 1.049 15 S HN 0.542 nan 8.310 nan 0.000 0.483 16 F N 4.676 124.421 119.950 -0.343 0.000 2.404 16 F HA 0.740 5.318 4.527 0.085 0.000 0.354 16 F C -0.072 175.665 175.800 -0.106 0.000 1.122 16 F CA -0.521 57.343 58.000 -0.227 0.000 1.080 16 F CB 1.519 40.457 39.000 -0.104 0.000 1.131 16 F HN 0.479 nan 8.300 nan 0.000 0.471 17 S N 6.622 122.022 115.700 -0.499 0.000 2.521 17 S HA 0.695 5.216 4.470 0.086 0.000 0.295 17 S C -0.803 173.387 174.600 -0.682 0.000 1.098 17 S CA -0.659 57.230 58.200 -0.518 0.000 0.999 17 S CB 0.782 63.833 63.200 -0.247 0.000 1.034 17 S HN 0.535 nan 8.310 nan 0.000 0.483 18 I N 4.273 124.489 120.570 -0.590 0.000 2.312 18 I HA 0.387 4.609 4.170 0.086 0.000 0.290 18 I C 1.007 176.985 176.117 -0.232 0.000 1.008 18 I CA -0.465 60.575 61.300 -0.433 0.000 1.226 18 I CB 1.613 39.389 38.000 -0.372 0.000 1.371 18 I HN 0.831 nan 8.210 nan 0.000 0.468 19 A N 5.290 128.006 122.820 -0.174 0.000 1.997 19 A HA 0.671 5.043 4.320 0.086 0.000 0.212 19 A C 0.920 178.452 177.584 -0.087 0.000 1.178 19 A CA 0.765 52.733 52.037 -0.115 0.000 0.698 19 A CB 0.217 19.160 19.000 -0.095 0.000 0.842 19 A HN 0.739 nan 8.150 nan 0.000 0.458 20 A N -0.731 122.039 122.820 -0.084 0.000 2.604 20 A HA 0.719 5.090 4.320 0.086 0.000 0.295 20 A C -0.845 176.709 177.584 -0.051 0.000 1.067 20 A CA -0.840 51.162 52.037 -0.058 0.000 0.683 20 A CB 1.038 20.009 19.000 -0.049 0.000 1.281 20 A HN 0.331 nan 8.150 nan 0.000 0.407 21 R N 0.378 120.862 120.500 -0.028 0.000 2.808 21 R HA 0.781 5.173 4.340 0.086 0.000 0.272 21 R C -1.230 175.081 176.300 0.019 0.000 0.995 21 R CA -0.795 55.300 56.100 -0.009 0.000 0.917 21 R CB 2.461 32.760 30.300 -0.002 0.000 1.217 21 R HN 0.750 nan 8.270 nan 0.000 0.471 22 E N 0.817 121.046 120.200 0.048 0.000 2.378 22 E HA 0.294 4.696 4.350 0.086 0.000 0.282 22 E C -0.021 176.648 176.600 0.116 0.000 0.910 22 E CA 0.182 56.637 56.400 0.092 0.000 0.816 22 E CB 1.116 30.905 29.700 0.149 0.000 1.359 22 E HN 0.823 nan 8.360 nan 0.000 0.397 23 G N 4.471 113.322 108.800 0.084 0.000 2.583 23 G HA2 -0.397 3.615 3.960 0.086 0.000 0.292 23 G HA3 -0.397 3.615 3.960 0.086 0.000 0.292 23 G C 0.625 175.572 174.900 0.078 0.000 1.203 23 G CA 0.528 45.676 45.100 0.080 0.000 0.987 23 G HN 0.562 nan 8.290 nan 0.000 0.554 24 K N 1.393 121.846 120.400 0.089 0.000 2.426 24 K HA 0.503 4.875 4.320 0.086 0.000 0.193 24 K C 1.374 178.029 176.600 0.092 0.000 1.028 24 K CA 0.518 56.857 56.287 0.085 0.000 1.047 24 K CB 0.163 32.709 32.500 0.076 0.000 0.821 24 K HN 0.759 nan 8.250 nan 0.000 0.513 25 A N 1.675 124.554 122.820 0.099 0.000 2.371 25 A HA 0.441 4.813 4.320 0.086 0.000 0.257 25 A C -0.387 177.191 177.584 -0.010 0.000 1.089 25 A CA -0.193 51.864 52.037 0.033 0.000 0.794 25 A CB 0.368 19.364 19.000 -0.006 0.000 1.029 25 A HN 0.166 nan 8.150 nan 0.000 0.488 26 R N -0.202 120.273 120.500 -0.041 0.000 2.698 26 R HA 0.719 5.111 4.340 0.086 0.000 0.275 26 R C -0.770 175.498 176.300 -0.054 0.000 1.001 26 R CA -0.413 55.668 56.100 -0.032 0.000 0.896 26 R CB 2.038 32.349 30.300 0.018 0.000 1.218 26 R HN 0.678 nan 8.270 nan 0.000 0.462 27 T N -0.011 114.505 114.554 -0.063 0.000 2.886 27 T HA 0.839 5.241 4.350 0.086 0.000 0.292 27 T C -0.589 174.073 174.700 -0.063 0.000 1.012 27 T CA -0.042 62.025 62.100 -0.054 0.000 0.982 27 T CB 1.423 70.238 68.868 -0.089 0.000 1.018 27 T HN 0.770 nan 8.240 nan 0.000 0.451 28 G N 1.768 110.552 108.800 -0.025 0.000 2.500 28 G HA2 0.649 4.660 3.960 0.086 0.000 0.299 28 G HA3 0.649 4.660 3.960 0.086 0.000 0.299 28 G C -0.938 173.968 174.900 0.010 0.000 1.242 28 G CA -0.015 45.040 45.100 -0.076 0.000 0.859 28 G HN 1.146 nan 8.290 nan 0.000 0.481 29 T N -1.680 112.870 114.554 -0.006 0.000 2.933 29 T HA 0.686 5.088 4.350 0.086 0.000 0.305 29 T C -0.922 173.847 174.700 0.115 0.000 1.092 29 T CA -0.527 61.600 62.100 0.046 0.000 1.008 29 T CB 1.728 70.585 68.868 -0.018 0.000 1.102 29 T HN 0.597 nan 8.240 nan 0.000 0.469 30 I N 2.206 122.828 120.570 0.086 0.000 2.330 30 I HA 0.334 4.555 4.170 0.086 0.000 0.289 30 I C 0.261 176.314 176.117 -0.107 0.000 1.001 30 I CA -0.673 60.592 61.300 -0.058 0.000 1.193 30 I CB 1.296 39.235 38.000 -0.102 0.000 1.345 30 I HN 0.632 nan 8.210 nan 0.000 0.461 31 E N 7.830 127.932 120.200 -0.162 0.000 2.174 31 E HA 0.572 4.974 4.350 0.086 0.000 0.282 31 E C -0.732 175.813 176.600 -0.092 0.000 0.992 31 E CA -0.388 55.953 56.400 -0.099 0.000 0.803 31 E CB 1.780 31.436 29.700 -0.074 0.000 1.090 31 E HN 0.499 nan 8.360 nan 0.000 0.396 32 M N 1.548 121.139 119.600 -0.015 0.000 2.658 32 M HA 0.288 4.820 4.480 0.086 0.000 0.295 32 M C 0.811 177.133 176.300 0.037 0.000 1.248 32 M CA -0.841 54.490 55.300 0.053 0.000 0.843 32 M CB 1.959 34.623 32.600 0.107 0.000 1.749 32 M HN 0.249 nan 8.290 nan 0.000 0.464 33 K N 0.398 120.828 120.400 0.050 0.000 2.103 33 K HA -0.111 4.261 4.320 0.086 0.000 0.207 33 K C 1.348 177.942 176.600 -0.011 0.000 1.048 33 K CA 1.515 57.812 56.287 0.017 0.000 0.930 33 K CB -0.040 32.471 32.500 0.017 0.000 0.716 33 K HN 0.482 nan 8.250 nan 0.000 0.444 34 R N 0.170 120.664 120.500 -0.010 0.000 2.310 34 R HA 0.107 4.499 4.340 0.086 0.000 0.202 34 R C 0.543 176.819 176.300 -0.040 0.000 0.933 34 R CA 0.199 56.272 56.100 -0.046 0.000 1.054 34 R CB 0.763 31.026 30.300 -0.062 0.000 0.985 34 R HN 0.226 nan 8.270 nan 0.000 0.489 35 G N -0.528 108.262 108.800 -0.016 0.000 2.359 35 G HA2 0.078 4.090 3.960 0.086 0.000 0.293 35 G HA3 0.078 4.090 3.960 0.086 0.000 0.293 35 G C -1.622 173.275 174.900 -0.004 0.000 1.300 35 G CA -1.002 44.084 45.100 -0.022 0.000 0.888 35 G HN -0.092 nan 8.290 nan 0.000 0.541 36 V N 0.250 120.159 119.914 -0.007 0.000 2.547 36 V HA 0.673 4.845 4.120 0.086 0.000 0.299 36 V C 0.049 176.153 176.094 0.017 0.000 1.040 36 V CA -0.559 61.739 62.300 -0.004 0.000 0.913 36 V CB 1.482 33.298 31.823 -0.012 0.000 0.992 36 V HN 0.618 nan 8.190 nan 0.000 0.449 37 I N 4.514 125.097 120.570 0.021 0.000 2.382 37 I HA 0.472 4.693 4.170 0.086 0.000 0.286 37 I C 0.268 176.411 176.117 0.043 0.000 1.002 37 I CA -0.403 60.920 61.300 0.038 0.000 1.135 37 I CB 1.250 39.271 38.000 0.034 0.000 1.288 37 I HN 0.490 nan 8.210 nan 0.000 0.448 38 R N 3.804 124.331 120.500 0.045 0.000 2.389 38 R HA 0.448 4.840 4.340 0.086 0.000 0.295 38 R C 0.008 176.345 176.300 0.061 0.000 1.075 38 R CA -0.293 55.833 56.100 0.044 0.000 1.005 38 R CB 0.880 31.198 30.300 0.029 0.000 0.987 38 R HN 0.666 nan 8.270 nan 0.000 0.452 39 T N 0.386 114.985 114.554 0.074 0.000 2.885 39 T HA 0.459 4.861 4.350 0.086 0.000 0.285 39 T C -2.646 172.086 174.700 0.053 0.000 1.019 39 T CA -2.870 59.285 62.100 0.091 0.000 1.010 39 T CB 2.140 71.104 68.868 0.159 0.000 1.022 39 T HN 0.199 nan 8.240 nan 0.000 0.466 40 P HA 0.409 nan 4.420 nan 0.000 0.268 40 P C -0.984 176.412 177.300 0.160 0.000 1.204 40 P CA -0.169 63.005 63.100 0.123 0.000 0.768 40 P CB 0.357 32.157 31.700 0.168 0.000 0.842 41 A N 3.619 126.556 122.820 0.195 0.000 2.337 41 A HA 0.659 5.030 4.320 0.086 0.000 0.329 41 A C -1.323 176.452 177.584 0.318 0.000 1.146 41 A CA -0.519 51.628 52.037 0.184 0.000 0.800 41 A CB 0.463 19.506 19.000 0.072 0.000 1.220 41 A HN 0.477 nan 8.150 nan 0.000 0.472 42 F N 2.570 122.611 119.950 0.152 0.000 2.427 42 F HA 0.662 5.238 4.527 0.082 0.000 0.346 42 F C -0.221 175.617 175.800 0.063 0.000 1.120 42 F CA -0.840 57.253 58.000 0.156 0.000 1.033 42 F CB 1.426 40.520 39.000 0.157 0.000 1.126 42 F HN 0.474 nan 8.300 nan 0.000 0.462 43 M N 8.668 127.766 119.600 -0.838 0.000 2.036 43 M HA 0.339 4.871 4.480 0.086 0.000 0.337 43 M C -2.558 173.260 176.300 -0.803 0.000 1.012 43 M CA -1.856 53.077 55.300 -0.612 0.000 0.962 43 M CB 1.090 33.422 32.600 -0.447 0.000 1.423 43 M HN 0.299 nan 8.290 nan 0.000 0.405 44 P HA 0.122 nan 4.420 nan 0.000 0.268 44 P C -0.703 176.417 177.300 -0.300 0.000 1.205 44 P CA -0.260 62.657 63.100 -0.304 0.000 0.771 44 P CB 0.646 32.268 31.700 -0.130 0.000 0.858 45 V N 2.869 122.657 119.914 -0.210 0.000 2.472 45 V HA 0.585 4.757 4.120 0.086 0.000 0.290 45 V C 1.023 177.029 176.094 -0.146 0.000 1.037 45 V CA -0.443 61.753 62.300 -0.173 0.000 0.908 45 V CB 1.263 33.017 31.823 -0.115 0.000 0.985 45 V HN 0.696 nan 8.190 nan 0.000 0.454 46 G N 2.089 110.796 108.800 -0.155 0.000 2.476 46 G HA2 0.468 4.480 3.960 0.086 0.000 0.286 46 G HA3 0.468 4.480 3.960 0.086 0.000 0.286 46 G C 0.798 175.632 174.900 -0.110 0.000 1.177 46 G CA 0.383 45.396 45.100 -0.144 0.000 0.870 46 G HN 0.806 nan 8.290 nan 0.000 0.528 47 T N -1.304 113.173 114.554 -0.128 0.000 2.898 47 T HA 0.410 4.812 4.350 0.086 0.000 0.241 47 T C 1.078 175.603 174.700 -0.291 0.000 1.024 47 T CA 0.962 62.968 62.100 -0.156 0.000 1.174 47 T CB 0.302 69.085 68.868 -0.141 0.000 0.873 47 T HN 1.332 nan 8.240 nan 0.000 0.422 48 A N 0.218 122.852 122.820 -0.311 0.000 3.307 48 A HA 0.777 5.149 4.320 0.086 0.000 0.289 48 A C 0.662 178.179 177.584 -0.113 0.000 1.138 48 A CA -0.037 51.778 52.037 -0.371 0.000 0.860 48 A CB -0.492 18.126 19.000 -0.637 0.000 1.318 48 A HN 1.617 nan 8.150 nan 0.000 0.551 49 A N -0.296 122.493 122.820 -0.052 0.000 2.872 49 A HA 0.020 4.391 4.320 0.086 0.000 0.273 49 A C 0.660 178.200 177.584 -0.072 0.000 1.442 49 A CA 1.890 53.931 52.037 0.007 0.000 0.801 49 A CB -2.128 16.983 19.000 0.185 0.000 1.031 49 A HN 2.493 nan 8.150 nan 0.000 0.582 50 T N -1.792 112.698 114.554 -0.108 0.000 2.942 50 T HA 0.523 4.924 4.350 0.086 0.000 0.327 50 T C -0.676 173.947 174.700 -0.129 0.000 1.360 50 T CA 0.225 62.257 62.100 -0.114 0.000 1.055 50 T CB 1.583 70.390 68.868 -0.102 0.000 1.261 50 T HN 1.166 nan 8.240 nan 0.000 0.485 51 V N 5.386 125.219 119.914 -0.135 0.000 2.408 51 V HA 0.364 4.535 4.120 0.086 0.000 0.267 51 V C 0.874 176.918 176.094 -0.084 0.000 1.047 51 V CA -0.683 61.539 62.300 -0.130 0.000 0.937 51 V CB 0.808 32.533 31.823 -0.164 0.000 0.999 51 V HN 0.945 nan 8.190 nan 0.000 0.472 52 K N 5.169 125.525 120.400 -0.074 0.000 2.441 52 K HA 0.064 4.435 4.320 0.086 0.000 0.273 52 K C 0.987 177.562 176.600 -0.043 0.000 1.090 52 K CA 0.897 57.151 56.287 -0.056 0.000 1.158 52 K CB -0.197 32.275 32.500 -0.046 0.000 0.847 52 K HN 1.299 nan 8.250 nan 0.000 0.483 53 A N 3.168 125.963 122.820 -0.041 0.000 2.899 53 A HA -0.171 4.200 4.320 0.086 0.000 0.257 53 A C -0.388 177.184 177.584 -0.020 0.000 1.335 53 A CA 1.194 53.211 52.037 -0.033 0.000 0.924 53 A CB -2.037 16.941 19.000 -0.036 0.000 1.105 53 A HN 0.604 nan 8.150 nan 0.000 0.765 54 L N -0.740 120.472 121.223 -0.018 0.000 2.410 54 L HA 0.428 4.820 4.340 0.086 0.000 0.270 54 L C 0.414 177.290 176.870 0.010 0.000 0.983 54 L CA -0.870 53.972 54.840 0.004 0.000 0.822 54 L CB 1.893 43.958 42.059 0.009 0.000 1.285 54 L HN 0.255 nan 8.230 nan 0.000 0.409 55 K N 2.814 123.233 120.400 0.032 0.000 2.355 55 K HA 0.109 4.481 4.320 0.086 0.000 0.270 55 K C -1.615 175.039 176.600 0.091 0.000 1.003 55 K CA -1.340 54.976 56.287 0.048 0.000 0.957 55 K CB 0.841 33.372 32.500 0.052 0.000 0.939 55 K HN 0.249 nan 8.250 nan 0.000 0.482 56 P HA -0.254 nan 4.420 nan 0.000 0.216 56 P C 1.311 178.783 177.300 0.286 0.000 1.153 56 P CA 1.913 65.184 63.100 0.286 0.000 0.858 56 P CB 0.138 32.045 31.700 0.346 0.000 0.789 57 E N -0.511 119.789 120.200 0.167 0.000 2.114 57 E HA -0.270 4.132 4.350 0.086 0.000 0.199 57 E C 1.949 178.630 176.600 0.135 0.000 1.008 57 E CA 2.432 58.905 56.400 0.121 0.000 0.810 57 E CB -2.243 27.504 29.700 0.078 0.000 0.739 57 E HN 0.309 nan 8.360 nan 0.000 0.456 58 T N 0.172 114.804 114.554 0.129 0.000 2.777 58 T HA -0.081 4.321 4.350 0.086 0.000 0.266 58 T C 2.232 177.018 174.700 0.143 0.000 1.040 58 T CA 1.388 63.561 62.100 0.122 0.000 1.141 58 T CB -0.337 68.590 68.868 0.099 0.000 0.868 58 T HN 0.298 nan 8.240 nan 0.000 0.444 59 V N 2.013 122.024 119.914 0.161 0.000 2.282 59 V HA -0.233 3.939 4.120 0.086 0.000 0.249 59 V C 2.673 178.925 176.094 0.264 0.000 1.057 59 V CA 1.924 64.326 62.300 0.170 0.000 1.032 59 V CB -0.629 31.256 31.823 0.102 0.000 0.645 59 V HN 0.269 nan 8.190 nan 0.000 0.447 60 R N 1.117 121.836 120.500 0.366 0.000 2.081 60 R HA -0.082 4.310 4.340 0.086 0.000 0.235 60 R C 2.121 178.521 176.300 0.167 0.000 1.131 60 R CA 1.921 58.191 56.100 0.283 0.000 0.960 60 R CB -1.094 29.291 30.300 0.143 0.000 0.856 60 R HN 0.458 nan 8.270 nan 0.000 0.436 61 A N -0.478 122.428 122.820 0.142 0.000 2.019 61 A HA -0.142 4.230 4.320 0.086 0.000 0.219 61 A C 2.064 179.720 177.584 0.121 0.000 1.164 61 A CA 1.959 54.064 52.037 0.114 0.000 0.644 61 A CB -1.114 17.951 19.000 0.108 0.000 0.805 61 A HN 0.633 nan 8.150 nan 0.000 0.449 62 T N -4.416 110.219 114.554 0.136 0.000 3.072 62 T HA 0.333 4.735 4.350 0.086 0.000 0.266 62 T C 1.409 176.187 174.700 0.129 0.000 1.127 62 T CA 1.345 63.524 62.100 0.132 0.000 1.107 62 T CB -0.040 68.906 68.868 0.130 0.000 0.910 62 T HN 1.644 nan 8.240 nan 0.000 0.513 63 G N 0.695 109.576 108.800 0.135 0.000 2.192 63 G HA2 0.089 4.101 3.960 0.086 0.000 0.193 63 G HA3 0.089 4.101 3.960 0.086 0.000 0.193 63 G C 0.264 175.255 174.900 0.151 0.000 0.999 63 G CA -0.194 44.980 45.100 0.123 0.000 0.659 63 G HN 1.086 nan 8.290 nan 0.000 0.503 64 A N 0.358 123.295 122.820 0.195 0.000 2.511 64 A HA 0.511 4.883 4.320 0.086 0.000 0.242 64 A C 1.036 178.796 177.584 0.293 0.000 1.069 64 A CA 1.108 53.279 52.037 0.224 0.000 0.763 64 A CB 0.285 19.403 19.000 0.197 0.000 1.001 64 A HN 0.171 nan 8.150 nan 0.000 0.498 65 D N 0.463 121.004 120.400 0.235 0.000 2.388 65 D HA 0.226 4.917 4.640 0.086 0.000 0.208 65 D C 0.175 176.672 176.300 0.329 0.000 1.035 65 D CA 0.814 54.944 54.000 0.217 0.000 0.875 65 D CB 0.453 41.324 40.800 0.118 0.000 0.984 65 D HN 0.561 nan 8.370 nan 0.000 0.508 66 I N 0.625 121.375 120.570 0.299 0.000 2.841 66 I HA 0.298 4.520 4.170 0.086 0.000 0.298 66 I C -1.664 174.418 176.117 -0.058 0.000 1.304 66 I CA -0.944 60.492 61.300 0.226 0.000 1.019 66 I CB 2.242 40.282 38.000 0.067 0.000 1.282 66 I HN -0.215 nan 8.210 nan 0.000 0.432 67 I N 3.197 123.609 120.570 -0.264 0.000 3.108 67 I HA 0.603 4.825 4.170 0.086 0.000 0.312 67 I C -1.864 174.049 176.117 -0.341 0.000 1.095 67 I CA -1.060 59.964 61.300 -0.462 0.000 1.000 67 I CB 2.047 39.539 38.000 -0.846 0.000 1.229 67 I HN 0.409 nan 8.210 nan 0.000 0.454 68 L N 2.322 123.357 121.223 -0.312 0.000 2.307 68 L HA 0.670 5.062 4.340 0.086 0.000 0.284 68 L C 0.559 177.314 176.870 -0.193 0.000 1.023 68 L CA 0.178 54.883 54.840 -0.225 0.000 0.810 68 L CB 1.558 43.506 42.059 -0.184 0.000 1.231 68 L HN 0.833 nan 8.230 nan 0.000 0.423 69 G N 1.054 109.767 108.800 -0.146 0.000 2.476 69 G HA2 0.139 4.151 3.960 0.086 0.000 0.269 69 G HA3 0.139 4.151 3.960 0.086 0.000 0.269 69 G C -0.163 174.714 174.900 -0.038 0.000 1.195 69 G CA -0.320 44.722 45.100 -0.097 0.000 0.843 69 G HN 0.556 nan 8.290 nan 0.000 0.545 70 N N 0.794 119.493 118.700 -0.003 0.000 3.044 70 N HA 0.121 4.912 4.740 0.086 0.000 0.254 70 N C 1.576 177.157 175.510 0.117 0.000 1.253 70 N CA -0.294 52.793 53.050 0.061 0.000 0.944 70 N CB 0.399 38.917 38.487 0.051 0.000 1.217 70 N HN 0.320 nan 8.380 nan 0.000 0.498 71 T N 0.961 115.581 114.554 0.110 0.000 2.620 71 T HA -0.252 4.150 4.350 0.086 0.000 0.267 71 T C 1.404 176.200 174.700 0.160 0.000 1.044 71 T CA 1.621 63.794 62.100 0.121 0.000 1.161 71 T CB -0.540 68.406 68.868 0.129 0.000 0.862 71 T HN 0.612 nan 8.240 nan 0.000 0.438 72 Y N 1.204 121.556 120.300 0.086 0.000 2.114 72 Y HA -0.269 4.332 4.550 0.085 0.000 0.282 72 Y C 2.680 178.647 175.900 0.111 0.000 1.165 72 Y CA 2.088 60.236 58.100 0.079 0.000 1.148 72 Y CB -0.505 37.978 38.460 0.039 0.000 0.972 72 Y HN 0.375 nan 8.280 nan 0.000 0.504 73 H N 0.145 119.261 119.070 0.076 0.000 2.357 73 H HA -0.107 4.502 4.556 0.089 0.000 0.301 73 H C 2.129 177.428 175.328 -0.049 0.000 1.082 73 H CA 2.089 58.129 56.048 -0.015 0.000 1.342 73 H CB -0.231 29.574 29.762 0.073 0.000 1.389 73 H HN 0.437 nan 8.280 nan 0.000 0.511 74 L N 0.802 122.130 121.223 0.176 0.000 2.217 74 L HA -0.158 4.234 4.340 0.086 0.000 0.211 74 L C 2.929 179.809 176.870 0.016 0.000 1.107 74 L CA 1.039 55.950 54.840 0.117 0.000 0.783 74 L CB -0.366 41.744 42.059 0.086 0.000 0.919 74 L HN 0.326 nan 8.230 nan 0.000 0.442 75 M N -1.547 118.042 119.600 -0.017 0.000 2.374 75 M HA -0.121 4.411 4.480 0.086 0.000 0.264 75 M C 1.826 178.075 176.300 -0.084 0.000 1.067 75 M CA 1.733 57.009 55.300 -0.039 0.000 1.103 75 M CB -0.324 32.271 32.600 -0.010 0.000 1.402 75 M HN 0.150 nan 8.290 nan 0.000 0.444 76 L N 0.535 121.669 121.223 -0.148 0.000 2.130 76 L HA 0.196 4.588 4.340 0.086 0.000 0.200 76 L C 1.470 178.253 176.870 -0.146 0.000 1.075 76 L CA 0.827 55.549 54.840 -0.197 0.000 0.768 76 L CB -0.301 41.555 42.059 -0.338 0.000 0.933 76 L HN 0.457 nan 8.230 nan 0.000 0.451 77 R N 0.067 120.490 120.500 -0.129 0.000 2.510 77 R HA 0.397 4.789 4.340 0.086 0.000 0.287 77 R C -2.630 173.740 176.300 0.116 0.000 1.084 77 R CA -1.294 54.791 56.100 -0.024 0.000 0.934 77 R CB -0.255 30.016 30.300 -0.048 0.000 1.201 77 R HN -0.122 nan 8.270 nan 0.000 0.431 78 P HA 0.188 nan 4.420 nan 0.000 0.245 78 P C 0.394 177.673 177.300 -0.036 0.000 1.206 78 P CA 0.988 64.102 63.100 0.024 0.000 0.781 78 P CB 0.679 32.377 31.700 -0.003 0.000 0.994 79 G N -0.280 108.492 108.800 -0.047 0.000 3.069 79 G HA2 0.093 4.104 3.960 0.086 0.000 0.686 79 G HA3 0.093 4.104 3.960 0.086 0.000 0.686 79 G C 0.692 175.543 174.900 -0.081 0.000 1.161 79 G CA -0.433 44.630 45.100 -0.062 0.000 0.804 79 G HN 0.159 nan 8.290 nan 0.000 0.608 80 A N 1.390 124.172 122.820 -0.063 0.000 1.898 80 A HA 0.120 4.491 4.320 0.086 0.000 0.216 80 A C 2.075 179.607 177.584 -0.087 0.000 1.181 80 A CA 2.390 54.386 52.037 -0.068 0.000 0.620 80 A CB -0.341 18.637 19.000 -0.037 0.000 0.819 80 A HN 0.894 nan 8.150 nan 0.000 0.442 81 E N -0.559 119.600 120.200 -0.069 0.000 2.077 81 E HA -0.184 4.218 4.350 0.086 0.000 0.193 81 E C 2.190 178.736 176.600 -0.090 0.000 0.989 81 E CA 1.473 57.833 56.400 -0.066 0.000 0.800 81 E CB -0.202 29.470 29.700 -0.048 0.000 0.746 81 E HN 0.629 nan 8.360 nan 0.000 0.452 82 R N 0.383 120.820 120.500 -0.105 0.000 2.081 82 R HA -0.096 4.296 4.340 0.086 0.000 0.235 82 R C 2.178 178.349 176.300 -0.215 0.000 1.131 82 R CA 1.292 57.313 56.100 -0.131 0.000 0.960 82 R CB -0.282 29.947 30.300 -0.119 0.000 0.856 82 R HN 0.175 nan 8.270 nan 0.000 0.436 83 I N 0.866 121.264 120.570 -0.287 0.000 2.226 83 I HA -0.250 3.972 4.170 0.086 0.000 0.245 83 I C 2.538 178.507 176.117 -0.245 0.000 1.100 83 I CA 1.283 62.329 61.300 -0.423 0.000 1.374 83 I CB -0.333 37.421 38.000 -0.410 0.000 1.057 83 I HN 0.337 nan 8.210 nan 0.000 0.413 84 A N 0.636 123.359 122.820 -0.162 0.000 1.902 84 A HA -0.285 4.087 4.320 0.086 0.000 0.217 84 A C 2.359 179.890 177.584 -0.089 0.000 1.181 84 A CA 2.035 54.002 52.037 -0.117 0.000 0.623 84 A CB -0.564 18.374 19.000 -0.104 0.000 0.818 84 A HN 0.365 nan 8.150 nan 0.000 0.443 85 K N -1.054 119.294 120.400 -0.087 0.000 2.103 85 K HA -0.116 4.256 4.320 0.086 0.000 0.207 85 K C 1.220 177.790 176.600 -0.050 0.000 1.048 85 K CA 1.279 57.531 56.287 -0.059 0.000 0.930 85 K CB -0.183 32.283 32.500 -0.057 0.000 0.716 85 K HN 0.305 nan 8.250 nan 0.000 0.444 86 L N -0.194 120.980 121.223 -0.081 0.000 2.599 86 L HA 0.166 4.558 4.340 0.086 0.000 0.230 86 L C 1.213 178.084 176.870 0.002 0.000 1.141 86 L CA 1.516 56.332 54.840 -0.041 0.000 0.877 86 L CB 0.228 42.227 42.059 -0.099 0.000 1.009 86 L HN 0.564 nan 8.230 nan 0.000 0.447 87 G N -2.018 106.771 108.800 -0.018 0.000 2.192 87 G HA2 0.101 4.113 3.960 0.086 0.000 0.193 87 G HA3 0.101 4.113 3.960 0.086 0.000 0.193 87 G C 0.692 175.607 174.900 0.025 0.000 0.999 87 G CA -0.214 44.894 45.100 0.014 0.000 0.659 87 G HN 0.899 nan 8.290 nan 0.000 0.503 88 G N -1.581 107.214 108.800 -0.009 0.000 2.662 88 G HA2 0.184 4.196 3.960 0.086 0.000 0.686 88 G HA3 0.184 4.196 3.960 0.086 0.000 0.686 88 G C 0.456 175.410 174.900 0.091 0.000 1.271 88 G CA -0.061 45.051 45.100 0.019 0.000 0.816 88 G HN 1.489 nan 8.290 nan 0.000 0.608 89 L N 0.481 121.755 121.223 0.084 0.000 2.042 89 L HA 0.039 4.430 4.340 0.086 0.000 0.210 89 L C 2.524 179.491 176.870 0.161 0.000 1.076 89 L CA 3.161 58.070 54.840 0.114 0.000 0.749 89 L CB -1.062 40.994 42.059 -0.005 0.000 0.893 89 L HN 0.762 nan 8.230 nan 0.000 0.432 90 H N -1.781 117.378 119.070 0.147 0.000 2.319 90 H HA -0.138 4.469 4.556 0.085 0.000 0.299 90 H C 2.546 177.966 175.328 0.153 0.000 1.092 90 H CA 1.972 58.122 56.048 0.169 0.000 1.302 90 H CB -0.343 29.492 29.762 0.122 0.000 1.373 90 H HN 0.402 nan 8.280 nan 0.000 0.497 91 S N -0.485 115.373 115.700 0.264 0.000 2.368 91 S HA -0.178 4.343 4.470 0.086 0.000 0.224 91 S C 2.024 176.751 174.600 0.212 0.000 1.029 91 S CA 1.002 59.315 58.200 0.189 0.000 0.988 91 S CB -0.469 62.820 63.200 0.148 0.000 0.838 91 S HN 0.349 nan 8.310 nan 0.000 0.462 92 F N 3.158 123.145 119.950 0.061 0.000 2.069 92 F HA -0.061 4.522 4.527 0.094 0.000 0.298 92 F C 2.184 178.009 175.800 0.041 0.000 1.113 92 F CA 2.189 60.213 58.000 0.039 0.000 1.214 92 F CB -0.537 38.477 39.000 0.024 0.000 0.978 92 F HN 0.392 nan 8.300 nan 0.000 0.474 93 M N -1.624 118.024 119.600 0.080 0.000 2.502 93 M HA 0.406 4.937 4.480 0.086 0.000 0.243 93 M C 1.288 177.611 176.300 0.038 0.000 1.130 93 M CA 0.972 56.242 55.300 -0.050 0.000 1.055 93 M CB 0.036 32.631 32.600 -0.008 0.000 1.457 93 M HN 0.209 nan 8.290 nan 0.000 0.488 94 G N 1.621 110.486 108.800 0.109 0.000 2.212 94 G HA2 -0.236 3.775 3.960 0.086 0.000 0.255 94 G HA3 -0.236 3.775 3.960 0.086 0.000 0.255 94 G C -0.802 174.225 174.900 0.212 0.000 1.062 94 G CA 0.145 45.320 45.100 0.124 0.000 0.815 94 G HN 0.757 nan 8.290 nan 0.000 0.497 95 W N 1.750 123.076 121.300 0.043 0.000 2.411 95 W HA 0.517 5.218 4.660 0.068 0.000 0.317 95 W C 0.046 176.662 176.519 0.162 0.000 1.030 95 W CA -0.182 57.198 57.345 0.057 0.000 1.239 95 W CB 1.349 30.813 29.460 0.006 0.000 1.304 95 W HN 0.283 nan 8.180 nan 0.000 0.437 96 D N 3.615 123.884 120.400 -0.218 0.000 2.363 96 D HA 0.103 4.795 4.640 0.086 0.000 0.214 96 D C 0.357 176.518 176.300 -0.232 0.000 1.093 96 D CA 0.061 53.993 54.000 -0.113 0.000 0.837 96 D CB 0.322 41.042 40.800 -0.133 0.000 0.948 96 D HN 0.197 nan 8.370 nan 0.000 0.507 97 R N 0.178 120.322 120.500 -0.594 0.000 2.606 97 R HA 0.489 4.880 4.340 0.086 0.000 0.249 97 R C -2.449 174.013 176.300 0.270 0.000 1.127 97 R CA -2.052 53.854 56.100 -0.325 0.000 1.133 97 R CB 0.298 30.180 30.300 -0.697 0.000 1.243 97 R HN -0.049 nan 8.270 nan 0.000 0.558 98 P HA -0.018 nan 4.420 nan 0.000 0.266 98 P C -0.815 176.754 177.300 0.449 0.000 1.193 98 P CA 0.793 64.107 63.100 0.357 0.000 0.770 98 P CB 0.432 32.250 31.700 0.197 0.000 0.836 99 I N 2.782 123.533 120.570 0.301 0.000 2.498 99 I HA 0.354 4.575 4.170 0.086 0.000 0.290 99 I C -0.202 175.910 176.117 -0.009 0.000 1.032 99 I CA -0.915 60.420 61.300 0.057 0.000 1.073 99 I CB 1.794 39.723 38.000 -0.118 0.000 1.251 99 I HN 0.185 nan 8.210 nan 0.000 0.426 100 L N 6.285 127.444 121.223 -0.108 0.000 2.309 100 L HA 0.590 4.982 4.340 0.086 0.000 0.282 100 L C -0.145 176.655 176.870 -0.116 0.000 1.036 100 L CA -0.047 54.697 54.840 -0.160 0.000 0.806 100 L CB 1.568 43.451 42.059 -0.294 0.000 1.220 100 L HN 0.702 nan 8.230 nan 0.000 0.429 101 T N -0.232 114.280 114.554 -0.070 0.000 2.824 101 T HA 0.367 4.769 4.350 0.086 0.000 0.282 101 T C -0.423 174.283 174.700 0.010 0.000 0.993 101 T CA -0.900 61.188 62.100 -0.019 0.000 0.967 101 T CB 1.629 70.508 68.868 0.018 0.000 0.960 101 T HN 0.493 nan 8.240 nan 0.000 0.441 102 D N 1.104 121.525 120.400 0.034 0.000 2.384 102 D HA 0.220 4.912 4.640 0.086 0.000 0.244 102 D C 1.387 177.749 176.300 0.104 0.000 1.251 102 D CA -0.398 53.640 54.000 0.063 0.000 0.961 102 D CB 1.208 42.041 40.800 0.055 0.000 1.116 102 D HN 0.597 nan 8.370 nan 0.000 0.484 103 S N -0.474 115.306 115.700 0.134 0.000 2.548 103 S HA 0.299 4.821 4.470 0.086 0.000 0.215 103 S C 1.514 176.304 174.600 0.316 0.000 0.976 103 S CA 0.508 58.845 58.200 0.229 0.000 0.908 103 S CB 0.461 63.827 63.200 0.277 0.000 0.781 103 S HN 0.838 nan 8.310 nan 0.000 0.519 104 G N 0.813 109.755 108.800 0.237 0.000 2.279 104 G HA2 -0.225 3.787 3.960 0.086 0.000 0.223 104 G HA3 -0.225 3.787 3.960 0.086 0.000 0.223 104 G C 1.071 176.076 174.900 0.175 0.000 1.015 104 G CA 0.048 45.298 45.100 0.251 0.000 0.621 104 G HN 0.870 nan 8.290 nan 0.000 0.506 105 G N -0.045 108.856 108.800 0.168 0.000 2.408 105 G HA2 0.013 4.024 3.960 0.086 0.000 0.217 105 G HA3 0.013 4.024 3.960 0.086 0.000 0.217 105 G C 1.379 176.230 174.900 -0.081 0.000 1.150 105 G CA 1.694 46.792 45.100 -0.003 0.000 0.776 105 G HN 0.788 nan 8.290 nan 0.000 0.542 106 Y N 1.307 121.525 120.300 -0.135 0.000 2.040 106 Y HA -0.283 4.318 4.550 0.086 0.000 0.275 106 Y C 3.033 178.814 175.900 -0.199 0.000 1.171 106 Y CA 2.583 60.601 58.100 -0.137 0.000 1.123 106 Y CB -0.123 38.274 38.460 -0.106 0.000 0.963 106 Y HN 0.251 nan 8.280 nan 0.000 0.493 107 Q N -0.772 118.895 119.800 -0.221 0.000 2.224 107 Q HA -0.133 4.258 4.340 0.086 0.000 0.203 107 Q C 2.379 177.850 176.000 -0.881 0.000 0.970 107 Q CA 1.458 56.941 55.803 -0.533 0.000 0.865 107 Q CB -0.226 28.234 28.738 -0.463 0.000 0.922 107 Q HN 0.453 nan 8.270 nan 0.000 0.445 108 V N 1.071 120.561 119.914 -0.707 0.000 2.237 108 V HA -0.269 3.902 4.120 0.086 0.000 0.245 108 V C 2.239 178.089 176.094 -0.407 0.000 1.046 108 V CA 1.539 63.452 62.300 -0.645 0.000 1.007 108 V CB -0.398 31.117 31.823 -0.513 0.000 0.638 108 V HN 0.381 nan 8.190 nan 0.000 0.445 109 M N -0.463 118.947 119.600 -0.317 0.000 2.279 109 M HA -0.092 4.440 4.480 0.086 0.000 0.264 109 M C 2.261 178.389 176.300 -0.288 0.000 1.062 109 M CA 1.372 56.533 55.300 -0.232 0.000 1.099 109 M CB -1.569 30.923 32.600 -0.179 0.000 1.394 109 M HN 0.298 nan 8.290 nan 0.000 0.426 110 S N -0.332 115.106 115.700 -0.438 0.000 2.461 110 S HA 0.316 4.837 4.470 0.086 0.000 0.228 110 S C 1.286 175.713 174.600 -0.287 0.000 1.005 110 S CA 0.690 58.645 58.200 -0.409 0.000 0.942 110 S CB -0.533 62.319 63.200 -0.579 0.000 0.776 110 S HN 0.567 nan 8.310 nan 0.000 0.514 117 Q N 1.097 120.989 119.800 0.155 0.000 2.241 117 Q HA 0.797 5.189 4.340 0.086 0.000 0.254 117 Q C 0.154 176.263 176.000 0.183 0.000 0.917 117 Q CA -0.253 55.667 55.803 0.195 0.000 0.919 117 Q CB 1.808 30.647 28.738 0.168 0.000 1.237 117 Q HN 0.953 nan 8.270 nan 0.000 0.434 118 S N 0.030 115.880 115.700 0.251 0.000 2.615 118 S HA 0.182 4.703 4.470 0.086 0.000 0.269 118 S C 0.290 175.107 174.600 0.361 0.000 1.161 118 S CA -0.900 57.435 58.200 0.225 0.000 0.817 118 S CB 1.184 64.485 63.200 0.168 0.000 1.131 118 S HN 0.640 nan 8.310 nan 0.000 0.467 119 E N 0.697 121.070 120.200 0.289 0.000 2.273 119 E HA -0.087 4.315 4.350 0.086 0.000 0.198 119 E C 1.969 178.887 176.600 0.529 0.000 1.002 119 E CA 2.345 58.979 56.400 0.390 0.000 0.828 119 E CB -0.485 29.345 29.700 0.218 0.000 0.747 119 E HN 0.782 nan 8.360 nan 0.000 0.491 120 E N -0.362 120.026 120.200 0.313 0.000 2.158 120 E HA 0.272 4.674 4.350 0.086 0.000 0.191 120 E C 1.242 177.870 176.600 0.046 0.000 0.982 120 E CA 1.248 57.747 56.400 0.165 0.000 0.823 120 E CB -0.275 29.481 29.700 0.093 0.000 0.766 120 E HN 0.456 nan 8.360 nan 0.000 0.468 121 G N -2.134 106.762 108.800 0.161 0.000 2.491 121 G HA2 0.342 4.354 3.960 0.086 0.000 0.183 121 G HA3 0.342 4.354 3.960 0.086 0.000 0.183 121 G C -1.227 173.818 174.900 0.242 0.000 1.221 121 G CA 0.165 45.276 45.100 0.018 0.000 0.996 121 G HN 1.015 nan 8.290 nan 0.000 0.474 122 V N 1.097 121.138 119.914 0.211 0.000 2.709 122 V HA 0.805 4.977 4.120 0.086 0.000 0.308 122 V C -0.021 176.278 176.094 0.342 0.000 1.062 122 V CA 0.584 63.062 62.300 0.296 0.000 0.901 122 V CB 1.777 33.803 31.823 0.340 0.000 1.003 122 V HN 1.786 nan 8.190 nan 0.000 0.425 123 T N 4.148 118.889 114.554 0.312 0.000 2.888 123 T HA 0.885 5.286 4.350 0.086 0.000 0.284 123 T C -0.741 174.185 174.700 0.377 0.000 1.017 123 T CA -0.386 61.874 62.100 0.266 0.000 1.022 123 T CB 1.516 70.459 68.868 0.127 0.000 1.013 123 T HN 1.196 nan 8.240 nan 0.000 0.465 134 M N 1.250 120.675 119.600 -0.292 0.000 2.386 134 M HA 0.646 5.178 4.480 0.086 0.000 0.293 134 M C -2.095 174.284 176.300 0.132 0.000 1.120 134 M CA -0.741 54.565 55.300 0.010 0.000 0.909 134 M CB 2.363 34.952 32.600 -0.019 0.000 1.661 134 M HN 0.040 nan 8.290 nan 0.000 0.452 135 L N 2.876 124.191 121.223 0.153 0.000 2.470 135 L HA 0.929 5.321 4.340 0.086 0.000 0.268 135 L C 0.044 176.646 176.870 -0.448 0.000 0.964 135 L CA -0.540 54.244 54.840 -0.094 0.000 0.839 135 L CB 2.205 44.292 42.059 0.047 0.000 1.276 135 L HN 1.236 nan 8.230 nan 0.000 0.403 136 S N 3.157 118.432 115.700 -0.710 0.000 2.632 136 S HA 0.742 5.263 4.470 0.086 0.000 0.289 136 S C -2.443 171.511 174.600 -1.076 0.000 1.115 136 S CA -1.393 56.270 58.200 -0.895 0.000 0.889 136 S CB 1.872 64.812 63.200 -0.434 0.000 1.116 136 S HN 0.348 nan 8.310 nan 0.000 0.486 137 P HA -0.180 nan 4.420 nan 0.000 0.217 137 P C 0.972 178.141 177.300 -0.218 0.000 1.158 137 P CA 1.674 64.566 63.100 -0.347 0.000 0.887 137 P CB -0.011 31.601 31.700 -0.147 0.000 0.792 138 E N -1.356 118.724 120.200 -0.200 0.000 2.047 138 E HA -0.183 4.219 4.350 0.086 0.000 0.191 138 E C 2.173 178.705 176.600 -0.114 0.000 0.987 138 E CA 1.039 57.374 56.400 -0.108 0.000 0.799 138 E CB -0.560 29.089 29.700 -0.086 0.000 0.752 138 E HN -0.004 nan 8.360 nan 0.000 0.449 139 R N 0.334 120.729 120.500 -0.175 0.000 2.090 139 R HA 0.039 4.431 4.340 0.086 0.000 0.228 139 R C 2.292 178.523 176.300 -0.115 0.000 1.110 139 R CA 1.565 57.583 56.100 -0.136 0.000 0.973 139 R CB -0.935 29.271 30.300 -0.156 0.000 0.869 139 R HN 0.143 nan 8.270 nan 0.000 0.440 140 S N -0.157 115.419 115.700 -0.207 0.000 2.356 140 S HA -0.057 4.465 4.470 0.086 0.000 0.223 140 S C 1.815 176.428 174.600 0.021 0.000 1.032 140 S CA 1.296 59.434 58.200 -0.103 0.000 1.005 140 S CB -0.222 62.874 63.200 -0.174 0.000 0.867 140 S HN 0.288 nan 8.310 nan 0.000 0.449 141 I N 1.869 122.457 120.570 0.029 0.000 2.286 141 I HA -0.094 4.128 4.170 0.086 0.000 0.248 141 I C 2.539 178.717 176.117 0.102 0.000 1.115 141 I CA 1.404 62.771 61.300 0.111 0.000 1.392 141 I CB -1.547 36.534 38.000 0.136 0.000 1.065 141 I HN 0.538 nan 8.210 nan 0.000 0.418 142 E N 1.225 121.455 120.200 0.049 0.000 2.072 142 E HA -0.198 4.204 4.350 0.086 0.000 0.191 142 E C 2.418 179.073 176.600 0.092 0.000 0.985 142 E CA 1.099 57.540 56.400 0.067 0.000 0.801 142 E CB -0.004 29.706 29.700 0.018 0.000 0.750 142 E HN 0.426 nan 8.360 nan 0.000 0.452 143 I N 0.980 121.579 120.570 0.048 0.000 2.208 143 I HA -0.312 3.909 4.170 0.086 0.000 0.245 143 I C 2.593 178.743 176.117 0.055 0.000 1.097 143 I CA 1.336 62.660 61.300 0.039 0.000 1.363 143 I CB -0.254 37.763 38.000 0.028 0.000 1.051 143 I HN 0.200 nan 8.210 nan 0.000 0.413 144 Q N -0.587 119.265 119.800 0.088 0.000 2.167 144 Q HA -0.267 4.125 4.340 0.086 0.000 0.202 144 Q C 2.095 178.159 176.000 0.107 0.000 0.970 144 Q CA 1.620 57.481 55.803 0.097 0.000 0.855 144 Q CB -0.280 28.534 28.738 0.127 0.000 0.911 144 Q HN 0.583 nan 8.270 nan 0.000 0.438 145 H N 0.754 119.845 119.070 0.036 0.000 2.357 145 H HA -0.055 4.553 4.556 0.087 0.000 0.301 145 H C 1.786 177.119 175.328 0.007 0.000 1.082 145 H CA 1.375 57.430 56.048 0.011 0.000 1.342 145 H CB -0.140 29.607 29.762 -0.024 0.000 1.389 145 H HN 0.110 nan 8.280 nan 0.000 0.511 146 L N -0.105 121.037 121.223 -0.135 0.000 2.079 146 L HA -0.179 4.212 4.340 0.086 0.000 0.210 146 L C 2.371 179.149 176.870 -0.153 0.000 1.081 146 L CA 1.065 55.799 54.840 -0.176 0.000 0.752 146 L CB -0.350 41.675 42.059 -0.057 0.000 0.896 146 L HN 0.344 nan 8.230 nan 0.000 0.433 147 L N -0.613 120.560 121.223 -0.084 0.000 2.217 147 L HA 0.017 4.409 4.340 0.086 0.000 0.211 147 L C 1.455 178.314 176.870 -0.017 0.000 1.107 147 L CA 0.746 55.556 54.840 -0.049 0.000 0.783 147 L CB -0.596 41.453 42.059 -0.016 0.000 0.919 147 L HN 0.508 nan 8.230 nan 0.000 0.442 148 G N 0.356 109.135 108.800 -0.035 0.000 2.165 148 G HA2 -0.270 3.741 3.960 0.086 0.000 0.226 148 G HA3 -0.270 3.741 3.960 0.086 0.000 0.226 148 G C 0.307 175.314 174.900 0.178 0.000 1.035 148 G CA 0.333 45.457 45.100 0.040 0.000 0.744 148 G HN 0.299 nan 8.290 nan 0.000 0.501 149 S N -0.504 115.271 115.700 0.124 0.000 2.558 149 S HA 0.262 4.784 4.470 0.086 0.000 0.288 149 S C 1.464 176.175 174.600 0.185 0.000 1.318 149 S CA 0.719 59.005 58.200 0.143 0.000 1.056 149 S CB 0.419 63.673 63.200 0.090 0.000 0.853 149 S HN 0.314 nan 8.310 nan 0.000 0.505 150 D N 2.986 123.504 120.400 0.196 0.000 2.201 150 D HA 0.107 4.799 4.640 0.086 0.000 0.209 150 D C 0.232 176.609 176.300 0.128 0.000 0.961 150 D CA 0.999 55.104 54.000 0.175 0.000 0.861 150 D CB 0.192 41.104 40.800 0.188 0.000 0.997 150 D HN 0.505 nan 8.370 nan 0.000 0.486 151 I N 2.263 122.850 120.570 0.028 0.000 2.390 151 I HA 0.154 4.376 4.170 0.086 0.000 0.283 151 I C -0.609 175.438 176.117 -0.118 0.000 1.016 151 I CA -0.559 60.662 61.300 -0.132 0.000 1.151 151 I CB 2.293 40.060 38.000 -0.390 0.000 1.293 151 I HN -0.347 nan 8.210 nan 0.000 0.458 152 V N 6.722 126.622 119.914 -0.025 0.000 2.407 152 V HA 0.351 4.523 4.120 0.086 0.000 0.278 152 V C 0.473 176.558 176.094 -0.015 0.000 1.037 152 V CA -0.503 61.828 62.300 0.052 0.000 0.900 152 V CB 1.384 33.354 31.823 0.245 0.000 0.983 152 V HN 0.574 nan 8.190 nan 0.000 0.459 153 M N 3.736 123.345 119.600 0.014 0.000 2.233 153 M HA 0.485 5.017 4.480 0.086 0.000 0.355 153 M C 0.474 176.815 176.300 0.068 0.000 1.191 153 M CA -0.446 54.871 55.300 0.027 0.000 1.101 153 M CB 1.034 33.660 32.600 0.044 0.000 1.592 153 M HN 0.724 nan 8.290 nan 0.000 0.461 154 A N 3.041 125.875 122.820 0.023 0.000 2.555 154 A HA 0.113 4.485 4.320 0.086 0.000 0.233 154 A C -0.382 177.298 177.584 0.159 0.000 1.060 154 A CA -0.099 51.988 52.037 0.083 0.000 0.759 154 A CB -0.164 18.813 19.000 -0.038 0.000 0.995 154 A HN 0.743 nan 8.150 nan 0.000 0.506 155 F N 2.857 122.851 119.950 0.074 0.000 2.471 155 F HA 0.342 4.920 4.527 0.085 0.000 0.365 155 F C 0.349 176.295 175.800 0.242 0.000 1.095 155 F CA -0.098 57.950 58.000 0.081 0.000 1.174 155 F CB 0.406 39.376 39.000 -0.049 0.000 1.105 155 F HN 0.748 nan 8.300 nan 0.000 0.535 156 D N 3.878 124.135 120.400 -0.237 0.000 2.497 156 D HA 0.219 4.911 4.640 0.086 0.000 0.243 156 D C -1.406 174.817 176.300 -0.128 0.000 1.039 156 D CA -0.828 53.143 54.000 -0.049 0.000 1.052 156 D CB 1.333 42.101 40.800 -0.054 0.000 1.344 156 D HN 0.568 nan 8.370 nan 0.000 0.553 157 E N -0.306 119.859 120.200 -0.058 0.000 2.092 157 E HA 0.327 4.729 4.350 0.086 0.000 0.271 157 E C -0.995 175.573 176.600 -0.052 0.000 0.919 157 E CA -0.801 55.553 56.400 -0.076 0.000 0.760 157 E CB 0.895 30.493 29.700 -0.171 0.000 1.106 157 E HN 0.493 nan 8.360 nan 0.000 0.408 158 C N 5.318 124.610 119.300 -0.012 0.000 2.520 158 C HA 0.246 4.757 4.460 0.086 0.000 0.369 158 C C 0.330 175.337 174.990 0.028 0.000 1.244 158 C CA -0.281 58.759 59.018 0.037 0.000 1.677 158 C CB -1.217 26.622 27.740 0.165 0.000 2.324 158 C HN 0.675 nan 8.230 nan 0.000 0.557 159 T N 9.690 124.260 114.554 0.026 0.000 2.799 159 T HA 0.221 4.623 4.350 0.086 0.000 0.296 159 T C -2.024 172.717 174.700 0.068 0.000 0.947 159 T CA -0.116 62.006 62.100 0.036 0.000 1.141 159 T CB 0.474 69.372 68.868 0.050 0.000 0.891 159 T HN 0.631 nan 8.240 nan 0.000 0.533 160 P HA 0.085 nan 4.420 nan 0.000 0.267 160 P C -1.175 176.204 177.300 0.131 0.000 1.201 160 P CA -0.255 62.890 63.100 0.074 0.000 0.775 160 P CB 0.301 32.019 31.700 0.031 0.000 0.854 161 Y N 2.891 123.196 120.300 0.009 0.000 2.364 161 Y HA 0.506 5.108 4.550 0.086 0.000 0.340 161 Y C -2.236 173.668 175.900 0.007 0.000 0.975 161 Y CA -2.392 55.712 58.100 0.006 0.000 1.089 161 Y CB 0.845 39.300 38.460 -0.007 0.000 1.192 161 Y HN 0.341 nan 8.280 nan 0.000 0.454 162 P HA 0.663 nan 4.420 nan 0.000 0.278 162 P C -1.751 175.430 177.300 -0.198 0.000 1.258 162 P CA -0.610 62.003 63.100 -0.812 0.000 0.811 162 P CB 1.587 32.828 31.700 -0.765 0.000 1.063 163 A N 0.448 123.257 122.820 -0.018 0.000 2.393 163 A HA 0.626 4.997 4.320 0.086 0.000 0.306 163 A C 0.176 177.878 177.584 0.198 0.000 1.050 163 A CA -0.516 51.584 52.037 0.104 0.000 0.724 163 A CB 0.934 20.036 19.000 0.170 0.000 1.248 163 A HN 0.676 nan 8.150 nan 0.000 0.424 164 T N 0.277 114.883 114.554 0.088 0.000 2.860 164 T HA 0.393 4.795 4.350 0.086 0.000 0.299 164 T C -1.832 172.833 174.700 -0.059 0.000 1.045 164 T CA -1.005 61.120 62.100 0.042 0.000 1.071 164 T CB 0.611 69.468 68.868 -0.018 0.000 0.985 164 T HN 0.265 nan 8.240 nan 0.000 0.537 165 P HA -0.104 nan 4.420 nan 0.000 0.216 165 P C 1.930 179.055 177.300 -0.291 0.000 1.150 165 P CA 1.050 63.763 63.100 -0.645 0.000 0.837 165 P CB -0.077 31.195 31.700 -0.714 0.000 0.786 166 S N -0.659 114.936 115.700 -0.176 0.000 2.348 166 S HA -0.246 4.276 4.470 0.086 0.000 0.221 166 S C 2.325 176.880 174.600 -0.076 0.000 1.033 166 S CA 1.960 60.094 58.200 -0.110 0.000 1.010 166 S CB -0.798 62.354 63.200 -0.081 0.000 0.891 166 S HN 0.021 nan 8.310 nan 0.000 0.442 167 R N 0.758 121.227 120.500 -0.052 0.000 2.075 167 R HA 0.312 4.704 4.340 0.086 0.000 0.232 167 R C 2.619 178.915 176.300 -0.008 0.000 1.126 167 R CA 1.892 57.977 56.100 -0.025 0.000 0.963 167 R CB -1.780 28.515 30.300 -0.007 0.000 0.858 167 R HN 0.695 nan 8.270 nan 0.000 0.435 168 A N 0.803 123.637 122.820 0.023 0.000 1.898 168 A HA 0.254 4.626 4.320 0.086 0.000 0.216 168 A C 2.822 180.420 177.584 0.023 0.000 1.181 168 A CA 1.909 53.995 52.037 0.081 0.000 0.620 168 A CB -0.852 18.303 19.000 0.259 0.000 0.819 168 A HN 0.926 nan 8.150 nan 0.000 0.442 169 A N -0.513 122.289 122.820 -0.030 0.000 1.902 169 A HA -0.073 4.299 4.320 0.086 0.000 0.217 169 A C 2.446 179.999 177.584 -0.051 0.000 1.181 169 A CA 2.081 54.092 52.037 -0.043 0.000 0.623 169 A CB -0.923 18.033 19.000 -0.074 0.000 0.818 169 A HN 0.449 nan 8.150 nan 0.000 0.443 170 S N -0.407 115.258 115.700 -0.058 0.000 2.370 170 S HA -0.167 4.355 4.470 0.086 0.000 0.226 170 S C 2.345 176.884 174.600 -0.102 0.000 1.033 170 S CA 1.592 59.749 58.200 -0.072 0.000 1.011 170 S CB -0.396 62.767 63.200 -0.062 0.000 0.852 170 S HN 0.711 nan 8.310 nan 0.000 0.457 171 S N 1.037 116.683 115.700 -0.091 0.000 2.368 171 S HA -0.045 4.476 4.470 0.086 0.000 0.224 171 S C 1.965 176.479 174.600 -0.143 0.000 1.029 171 S CA 1.090 59.213 58.200 -0.128 0.000 0.988 171 S CB -0.375 62.780 63.200 -0.075 0.000 0.838 171 S HN 0.424 nan 8.310 nan 0.000 0.462 172 M N 1.261 120.814 119.600 -0.078 0.000 2.117 172 M HA -0.106 4.426 4.480 0.086 0.000 0.262 172 M C 1.788 178.038 176.300 -0.084 0.000 1.065 172 M CA 1.887 57.151 55.300 -0.060 0.000 1.114 172 M CB -0.979 31.614 32.600 -0.012 0.000 1.361 172 M HN 0.409 nan 8.290 nan 0.000 0.408 173 E N -0.302 119.845 120.200 -0.088 0.000 2.077 173 E HA -0.247 4.155 4.350 0.086 0.000 0.193 173 E C 2.122 178.635 176.600 -0.146 0.000 0.989 173 E CA 1.569 57.917 56.400 -0.086 0.000 0.800 173 E CB -0.295 29.362 29.700 -0.071 0.000 0.746 173 E HN 0.519 nan 8.360 nan 0.000 0.452 174 R N 0.684 121.032 120.500 -0.254 0.000 2.081 174 R HA -0.128 4.264 4.340 0.086 0.000 0.235 174 R C 2.299 178.256 176.300 -0.570 0.000 1.131 174 R CA 1.755 57.563 56.100 -0.488 0.000 0.960 174 R CB -0.144 29.746 30.300 -0.683 0.000 0.856 174 R HN -0.018 nan 8.270 nan 0.000 0.436 175 S N 0.296 115.764 115.700 -0.386 0.000 2.383 175 S HA -0.122 4.399 4.470 0.086 0.000 0.229 175 S C 1.831 176.440 174.600 0.016 0.000 1.030 175 S CA 1.425 59.529 58.200 -0.160 0.000 1.002 175 S CB -0.076 63.067 63.200 -0.096 0.000 0.829 175 S HN 0.311 nan 8.310 nan 0.000 0.467 176 M N 0.958 120.553 119.600 -0.009 0.000 2.175 176 M HA 0.044 4.576 4.480 0.086 0.000 0.264 176 M C 2.028 178.402 176.300 0.123 0.000 1.063 176 M CA 1.205 56.546 55.300 0.069 0.000 1.119 176 M CB -1.152 31.477 32.600 0.048 0.000 1.377 176 M HN 0.251 nan 8.290 nan 0.000 0.415 177 R N -1.011 119.539 120.500 0.082 0.000 2.081 177 R HA -0.182 4.210 4.340 0.086 0.000 0.235 177 R C 2.102 178.606 176.300 0.339 0.000 1.131 177 R CA 1.359 57.554 56.100 0.159 0.000 0.960 177 R CB -0.272 30.086 30.300 0.096 0.000 0.856 177 R HN 0.369 nan 8.270 nan 0.000 0.436 178 W N 0.572 121.942 121.300 0.115 0.000 2.374 178 W HA 0.001 4.712 4.660 0.086 0.000 0.288 178 W C 2.368 178.990 176.519 0.171 0.000 1.218 178 W CA 0.671 58.112 57.345 0.161 0.000 1.245 178 W CB -0.842 28.725 29.460 0.180 0.000 1.126 178 W HN 0.178 nan 8.180 nan 0.000 0.545 179 A N 0.222 123.268 122.820 0.377 0.000 1.898 179 A HA -0.212 4.160 4.320 0.086 0.000 0.216 179 A C 2.034 179.843 177.584 0.376 0.000 1.181 179 A CA 2.243 54.481 52.037 0.335 0.000 0.620 179 A CB -0.648 18.509 19.000 0.263 0.000 0.819 179 A HN 0.119 nan 8.150 nan 0.000 0.442 180 K N 0.241 120.812 120.400 0.285 0.000 2.057 180 K HA -0.078 4.293 4.320 0.086 0.000 0.207 180 K C 2.036 178.741 176.600 0.175 0.000 1.049 180 K CA 1.729 58.135 56.287 0.198 0.000 0.931 180 K CB -0.386 32.205 32.500 0.151 0.000 0.714 180 K HN 0.429 nan 8.250 nan 0.000 0.440 181 R N -0.052 120.569 120.500 0.202 0.000 2.096 181 R HA -0.033 4.359 4.340 0.086 0.000 0.235 181 R C 2.392 178.782 176.300 0.150 0.000 1.127 181 R CA 1.600 57.794 56.100 0.157 0.000 0.968 181 R CB -0.283 30.112 30.300 0.159 0.000 0.861 181 R HN 0.171 nan 8.270 nan 0.000 0.440 182 S N 0.451 116.274 115.700 0.204 0.000 2.356 182 S HA -0.183 4.339 4.470 0.086 0.000 0.223 182 S C 1.804 176.532 174.600 0.213 0.000 1.032 182 S CA 1.484 59.811 58.200 0.211 0.000 1.005 182 S CB -0.227 63.129 63.200 0.260 0.000 0.867 182 S HN 0.241 nan 8.310 nan 0.000 0.449 183 R N 1.795 122.414 120.500 0.199 0.000 2.083 183 R HA -0.124 4.268 4.340 0.086 0.000 0.237 183 R C 1.490 177.854 176.300 0.106 0.000 1.137 183 R CA 2.004 58.151 56.100 0.080 0.000 0.951 183 R CB -0.709 29.538 30.300 -0.088 0.000 0.851 183 R HN 0.227 nan 8.270 nan 0.000 0.434 184 D N -0.085 120.370 120.400 0.092 0.000 2.117 184 D HA -0.070 4.622 4.640 0.086 0.000 0.198 184 D C 1.739 178.089 176.300 0.083 0.000 0.982 184 D CA 1.628 55.672 54.000 0.073 0.000 0.828 184 D CB -0.420 40.414 40.800 0.057 0.000 0.967 184 D HN 0.405 nan 8.370 nan 0.000 0.464 185 A N 0.404 123.284 122.820 0.100 0.000 1.877 185 A HA -0.178 4.193 4.320 0.086 0.000 0.216 185 A C 2.140 179.778 177.584 0.090 0.000 1.186 185 A CA 1.082 53.164 52.037 0.074 0.000 0.620 185 A CB -1.052 17.990 19.000 0.071 0.000 0.822 185 A HN 0.256 nan 8.150 nan 0.000 0.443 186 F N 1.264 121.216 119.950 0.002 0.000 2.102 186 F HA -0.193 4.385 4.527 0.085 0.000 0.298 186 F C 1.756 177.541 175.800 -0.025 0.000 1.105 186 F CA 2.205 60.203 58.000 -0.003 0.000 1.239 186 F CB -0.155 38.865 39.000 0.033 0.000 0.991 186 F HN 0.240 nan 8.300 nan 0.000 0.474 187 D N -0.335 120.199 120.400 0.223 0.000 2.178 187 D HA -0.159 4.533 4.640 0.086 0.000 0.201 187 D C 2.497 178.788 176.300 -0.015 0.000 0.980 187 D CA 1.475 55.535 54.000 0.100 0.000 0.842 187 D CB -0.618 40.242 40.800 0.100 0.000 0.948 187 D HN 0.414 nan 8.370 nan 0.000 0.472 188 S N -0.210 115.477 115.700 -0.021 0.000 2.474 188 S HA -0.149 4.372 4.470 0.086 0.000 0.235 188 S C 1.174 175.712 174.600 -0.102 0.000 0.997 188 S CA 0.161 58.332 58.200 -0.048 0.000 0.949 188 S CB 0.006 63.186 63.200 -0.033 0.000 0.766 188 S HN 0.089 nan 8.310 nan 0.000 0.517 189 R N 0.743 121.139 120.500 -0.173 0.000 2.272 189 R HA 0.485 4.877 4.340 0.086 0.000 0.323 189 R C 1.311 177.457 176.300 -0.255 0.000 1.002 189 R CA 0.322 56.270 56.100 -0.252 0.000 0.900 189 R CB 0.535 30.602 30.300 -0.388 0.000 1.151 189 R HN 0.239 nan 8.270 nan 0.000 0.507 190 K N 2.596 122.896 120.400 -0.167 0.000 2.044 190 K HA -0.233 4.139 4.320 0.086 0.000 0.210 190 K C 1.974 178.498 176.600 -0.126 0.000 1.049 190 K CA 2.306 58.521 56.287 -0.120 0.000 0.927 190 K CB -1.168 31.288 32.500 -0.073 0.000 0.713 190 K HN 0.789 nan 8.250 nan 0.000 0.443 191 E N 0.473 120.599 120.200 -0.123 0.000 2.106 191 E HA -0.210 4.192 4.350 0.086 0.000 0.192 191 E C 2.057 178.601 176.600 -0.094 0.000 0.984 191 E CA 1.516 57.878 56.400 -0.063 0.000 0.806 191 E CB -0.537 29.172 29.700 0.015 0.000 0.750 191 E HN 0.842 nan 8.360 nan 0.000 0.458 192 Q N -0.714 118.944 119.800 -0.236 0.000 2.046 192 Q HA 0.016 4.408 4.340 0.086 0.000 0.200 192 Q C 2.511 178.193 176.000 -0.529 0.000 0.975 192 Q CA 1.453 57.047 55.803 -0.347 0.000 0.836 192 Q CB -0.283 28.110 28.738 -0.576 0.000 0.896 192 Q HN 0.537 nan 8.270 nan 0.000 0.428 193 A N 0.618 123.094 122.820 -0.573 0.000 1.972 193 A HA -0.212 4.160 4.320 0.086 0.000 0.219 193 A C 1.664 179.224 177.584 -0.040 0.000 1.169 193 A CA 1.704 53.540 52.037 -0.335 0.000 0.635 193 A CB -0.400 18.502 19.000 -0.164 0.000 0.810 193 A HN 0.527 nan 8.150 nan 0.000 0.446 194 E N -0.895 119.275 120.200 -0.050 0.000 2.318 194 E HA -0.008 4.393 4.350 0.086 0.000 0.193 194 E C 0.883 177.511 176.600 0.047 0.000 0.998 194 E CA 0.507 56.916 56.400 0.015 0.000 0.859 194 E CB 0.081 29.780 29.700 -0.002 0.000 0.812 194 E HN 0.573 nan 8.360 nan 0.000 0.492 195 N N -0.471 118.253 118.700 0.040 0.000 2.257 195 N HA 0.138 4.930 4.740 0.086 0.000 0.200 195 N C -0.064 175.519 175.510 0.122 0.000 1.163 195 N CA 0.164 53.255 53.050 0.069 0.000 0.891 195 N CB 1.274 39.785 38.487 0.040 0.000 1.067 195 N HN -0.044 nan 8.380 nan 0.000 0.497 196 A N 0.477 123.392 122.820 0.159 0.000 2.309 196 A HA 0.878 5.250 4.320 0.086 0.000 0.317 196 A C -0.712 177.123 177.584 0.419 0.000 1.134 196 A CA -0.466 51.733 52.037 0.271 0.000 0.866 196 A CB 1.286 20.457 19.000 0.285 0.000 1.329 196 A HN 0.097 nan 8.150 nan 0.000 0.477 197 A N -0.538 122.469 122.820 0.311 0.000 2.356 197 A HA 0.733 5.104 4.320 0.086 0.000 0.323 197 A C -1.250 176.264 177.584 -0.118 0.000 1.119 197 A CA -0.442 51.632 52.037 0.060 0.000 0.790 197 A CB 1.153 20.063 19.000 -0.151 0.000 1.273 197 A HN 1.472 nan 8.150 nan 0.000 0.452 198 L N 1.336 122.326 121.223 -0.388 0.000 2.356 198 L HA 0.768 5.159 4.340 0.086 0.000 0.277 198 L C -1.841 175.065 176.870 0.061 0.000 0.996 198 L CA -0.299 54.292 54.840 -0.414 0.000 0.822 198 L CB 1.095 42.552 42.059 -1.002 0.000 1.256 198 L HN 0.523 nan 8.230 nan 0.000 0.413 199 F N 2.716 122.505 119.950 -0.269 0.000 2.443 199 F HA 0.743 5.322 4.527 0.088 0.000 0.335 199 F C 0.985 176.410 175.800 -0.624 0.000 1.104 199 F CA -1.007 56.775 58.000 -0.364 0.000 1.013 199 F CB 1.835 40.698 39.000 -0.229 0.000 1.136 199 F HN 0.564 nan 8.300 nan 0.000 0.470 200 G N 2.843 111.006 108.800 -1.061 0.000 2.451 200 G HA2 0.626 4.637 3.960 0.086 0.000 0.303 200 G HA3 0.626 4.637 3.960 0.086 0.000 0.303 200 G C -0.961 173.652 174.900 -0.480 0.000 1.166 200 G CA -0.559 43.759 45.100 -1.303 0.000 0.884 200 G HN 0.536 nan 8.290 nan 0.000 0.514 201 I N 0.702 121.087 120.570 -0.310 0.000 2.410 201 I HA 0.220 4.442 4.170 0.086 0.000 0.286 201 I C 0.229 176.288 176.117 -0.097 0.000 1.009 201 I CA -0.528 60.679 61.300 -0.155 0.000 1.111 201 I CB 1.987 39.909 38.000 -0.130 0.000 1.262 201 I HN 0.422 nan 8.210 nan 0.000 0.443 202 Q N 5.824 125.588 119.800 -0.060 0.000 2.332 202 Q HA 0.218 4.609 4.340 0.086 0.000 0.263 202 Q C -0.877 175.101 176.000 -0.036 0.000 0.979 202 Q CA -0.075 55.709 55.803 -0.032 0.000 0.885 202 Q CB 1.052 29.776 28.738 -0.023 0.000 1.218 202 Q HN 0.520 nan 8.270 nan 0.000 0.405 203 Q N 0.987 120.778 119.800 -0.015 0.000 3.017 203 Q HA 0.550 4.941 4.340 0.086 0.000 0.299 203 Q C -0.005 176.016 176.000 0.036 0.000 1.046 203 Q CA -0.001 55.801 55.803 -0.002 0.000 0.821 203 Q CB 1.691 30.419 28.738 -0.016 0.000 1.481 203 Q HN 0.952 nan 8.270 nan 0.000 0.494 204 G N -0.209 108.630 108.800 0.066 0.000 2.164 204 G HA2 -0.203 3.809 3.960 0.086 0.000 0.154 204 G HA3 -0.203 3.809 3.960 0.086 0.000 0.154 204 G C 0.388 175.404 174.900 0.192 0.000 1.014 204 G CA 0.999 46.178 45.100 0.132 0.000 0.683 204 G HN 0.788 nan 8.290 nan 0.000 0.500 205 S N -2.104 113.670 115.700 0.124 0.000 4.050 205 S HA -0.386 4.136 4.470 0.086 0.000 0.602 205 S C 1.844 176.408 174.600 -0.059 0.000 2.030 205 S CA 3.625 61.862 58.200 0.063 0.000 4.208 205 S CB -1.179 62.112 63.200 0.151 0.000 0.290 205 S HN 2.023 nan 8.310 nan 0.000 0.615 206 V N -0.453 119.252 119.914 -0.348 0.000 3.376 206 V HA 0.568 4.740 4.120 0.086 0.000 0.313 206 V C 0.126 176.057 176.094 -0.272 0.000 1.393 206 V CA 0.036 62.154 62.300 -0.303 0.000 1.125 206 V CB -0.567 31.061 31.823 -0.325 0.000 1.037 206 V HN 0.450 nan 8.190 nan 0.000 0.440 207 F N 1.198 121.248 119.950 0.167 0.000 2.405 207 F HA 0.507 5.085 4.527 0.086 0.000 0.355 207 F C 1.563 177.349 175.800 -0.023 0.000 1.121 207 F CA -0.791 57.248 58.000 0.065 0.000 1.112 207 F CB 1.531 40.546 39.000 0.025 0.000 1.126 207 F HN 0.107 nan 8.300 nan 0.000 0.481 208 E N 2.660 122.768 120.200 -0.155 0.000 2.106 208 E HA -0.232 4.170 4.350 0.086 0.000 0.192 208 E C 1.785 178.273 176.600 -0.185 0.000 0.984 208 E CA 1.602 57.673 56.400 -0.549 0.000 0.806 208 E CB 0.103 29.143 29.700 -1.100 0.000 0.750 208 E HN 0.739 nan 8.360 nan 0.000 0.458 209 N N 0.693 119.341 118.700 -0.087 0.000 2.244 209 N HA -0.169 4.623 4.740 0.086 0.000 0.183 209 N C 1.816 177.323 175.510 -0.005 0.000 1.016 209 N CA 0.772 53.791 53.050 -0.052 0.000 0.866 209 N CB -0.421 38.037 38.487 -0.047 0.000 0.980 209 N HN 0.172 nan 8.380 nan 0.000 0.430 210 L N 1.264 122.516 121.223 0.048 0.000 2.056 210 L HA 0.061 4.453 4.340 0.086 0.000 0.207 210 L C 2.618 179.528 176.870 0.067 0.000 1.078 210 L CA 1.171 56.051 54.840 0.066 0.000 0.749 210 L CB -0.776 41.363 42.059 0.133 0.000 0.901 210 L HN 0.110 nan 8.230 nan 0.000 0.433 211 R N -0.677 119.881 120.500 0.096 0.000 2.091 211 R HA -0.216 4.176 4.340 0.086 0.000 0.238 211 R C 2.169 178.499 176.300 0.049 0.000 1.136 211 R CA 1.393 57.552 56.100 0.098 0.000 0.959 211 R CB -0.558 29.863 30.300 0.201 0.000 0.856 211 R HN 0.384 nan 8.270 nan 0.000 0.437 212 Q N 1.164 120.979 119.800 0.024 0.000 2.079 212 Q HA -0.137 4.255 4.340 0.086 0.000 0.200 212 Q C 1.979 177.979 176.000 -0.001 0.000 0.974 212 Q CA 1.695 57.498 55.803 -0.000 0.000 0.840 212 Q CB -0.084 28.640 28.738 -0.023 0.000 0.898 212 Q HN 0.373 nan 8.270 nan 0.000 0.430 213 Q N -0.836 118.965 119.800 0.003 0.000 2.124 213 Q HA -0.135 4.257 4.340 0.086 0.000 0.202 213 Q C 2.168 178.176 176.000 0.014 0.000 0.977 213 Q CA 1.425 57.230 55.803 0.005 0.000 0.850 213 Q CB -0.197 28.542 28.738 0.002 0.000 0.901 213 Q HN 0.345 nan 8.270 nan 0.000 0.429 214 S N 0.073 115.785 115.700 0.018 0.000 2.357 214 S HA -0.112 4.410 4.470 0.086 0.000 0.221 214 S C 2.024 176.639 174.600 0.024 0.000 1.031 214 S CA 0.941 59.155 58.200 0.023 0.000 0.982 214 S CB -0.206 63.007 63.200 0.021 0.000 0.853 214 S HN 0.456 nan 8.310 nan 0.000 0.458 215 A N 1.681 124.503 122.820 0.003 0.000 1.917 215 A HA -0.183 4.189 4.320 0.086 0.000 0.219 215 A C 1.860 179.430 177.584 -0.023 0.000 1.182 215 A CA 2.181 54.198 52.037 -0.033 0.000 0.633 215 A CB -0.998 17.966 19.000 -0.061 0.000 0.819 215 A HN 0.576 nan 8.150 nan 0.000 0.448 216 D N -0.142 120.255 120.400 -0.005 0.000 2.117 216 D HA -0.009 4.682 4.640 0.086 0.000 0.198 216 D C 2.263 178.587 176.300 0.040 0.000 0.982 216 D CA 1.462 55.465 54.000 0.005 0.000 0.828 216 D CB -0.537 40.265 40.800 0.003 0.000 0.967 216 D HN 0.434 nan 8.370 nan 0.000 0.464 217 A N 0.762 123.615 122.820 0.055 0.000 1.908 217 A HA -0.137 4.235 4.320 0.086 0.000 0.218 217 A C 2.385 180.063 177.584 0.157 0.000 1.181 217 A CA 1.020 53.109 52.037 0.087 0.000 0.627 217 A CB -0.753 18.294 19.000 0.079 0.000 0.818 217 A HN 0.205 nan 8.150 nan 0.000 0.445 218 L N -1.059 120.278 121.223 0.191 0.000 2.072 218 L HA -0.113 4.279 4.340 0.086 0.000 0.205 218 L C 3.075 180.209 176.870 0.440 0.000 1.079 218 L CA 0.926 55.998 54.840 0.387 0.000 0.752 218 L CB -0.559 41.712 42.059 0.353 0.000 0.906 218 L HN 0.414 nan 8.230 nan 0.000 0.436 219 A N 0.348 123.295 122.820 0.211 0.000 1.972 219 A HA -0.222 4.149 4.320 0.086 0.000 0.219 219 A C 2.399 180.057 177.584 0.123 0.000 1.169 219 A CA 1.971 54.091 52.037 0.139 0.000 0.635 219 A CB -0.765 18.220 19.000 -0.025 0.000 0.810 219 A HN 0.449 nan 8.150 nan 0.000 0.446 220 E N 0.136 120.394 120.200 0.097 0.000 2.077 220 E HA -0.116 4.285 4.350 0.086 0.000 0.193 220 E C 1.817 178.442 176.600 0.042 0.000 0.989 220 E CA 1.409 57.845 56.400 0.060 0.000 0.800 220 E CB -0.803 28.928 29.700 0.052 0.000 0.746 220 E HN 0.718 nan 8.360 nan 0.000 0.452 221 I N -0.486 120.122 120.570 0.063 0.000 2.202 221 I HA 0.192 4.414 4.170 0.086 0.000 0.242 221 I C 1.518 177.504 176.117 -0.219 0.000 1.091 221 I CA 1.097 62.361 61.300 -0.062 0.000 1.368 221 I CB -0.268 37.716 38.000 -0.026 0.000 1.058 221 I HN 0.511 nan 8.210 nan 0.000 0.410 222 G N 0.771 109.486 108.800 -0.142 0.000 3.172 222 G HA2 -0.168 3.844 3.960 0.086 0.000 0.686 222 G HA3 -0.168 3.844 3.960 0.086 0.000 0.686 222 G C -0.819 173.742 174.900 -0.565 0.000 1.009 222 G CA -0.837 44.182 45.100 -0.135 0.000 0.787 222 G HN 0.074 nan 8.290 nan 0.000 0.559 223 F N 0.400 120.275 119.950 -0.125 0.000 2.650 223 F HA 0.536 5.115 4.527 0.086 0.000 0.320 223 F C 0.995 176.510 175.800 -0.475 0.000 1.091 223 F CA -0.956 56.798 58.000 -0.410 0.000 0.962 223 F CB 1.567 40.141 39.000 -0.710 0.000 1.363 223 F HN 0.348 nan 8.300 nan 0.000 0.482 224 D N 0.314 120.500 120.400 -0.357 0.000 2.277 224 D HA 0.204 4.896 4.640 0.086 0.000 0.208 224 D C 0.598 176.445 176.300 -0.755 0.000 0.962 224 D CA 0.865 54.537 54.000 -0.548 0.000 0.865 224 D CB 0.461 40.727 40.800 -0.890 0.000 0.939 224 D HN 0.599 nan 8.370 nan 0.000 0.510 225 G N -0.746 107.321 108.800 -1.221 0.000 2.646 225 G HA2 0.472 4.484 3.960 0.086 0.000 0.291 225 G HA3 0.472 4.484 3.960 0.086 0.000 0.291 225 G C -2.068 171.879 174.900 -1.588 0.000 1.445 225 G CA -0.742 43.267 45.100 -1.819 0.000 0.814 225 G HN -0.056 nan 8.290 nan 0.000 0.495 226 Y N 0.008 119.958 120.300 -0.582 0.000 2.346 226 Y HA 0.662 5.264 4.550 0.086 0.000 0.332 226 Y C 0.525 176.374 175.900 -0.085 0.000 0.985 226 Y CA -0.582 57.373 58.100 -0.241 0.000 1.112 226 Y CB 2.356 40.741 38.460 -0.125 0.000 1.170 226 Y HN 0.822 nan 8.280 nan 0.000 0.447 227 A N 2.386 125.233 122.820 0.047 0.000 2.303 227 A HA 0.761 5.133 4.320 0.086 0.000 0.317 227 A C -0.954 176.572 177.584 -0.096 0.000 1.149 227 A CA -0.695 51.328 52.037 -0.025 0.000 0.822 227 A CB 0.758 19.669 19.000 -0.148 0.000 1.131 227 A HN 0.526 nan 8.150 nan 0.000 0.493 228 V N 2.594 122.415 119.914 -0.155 0.000 2.318 228 V HA 0.515 4.686 4.120 0.086 0.000 0.271 228 V C 1.016 177.001 176.094 -0.181 0.000 1.030 228 V CA 0.173 62.392 62.300 -0.135 0.000 0.844 228 V CB 0.607 32.363 31.823 -0.111 0.000 1.015 228 V HN 1.105 nan 8.190 nan 0.000 0.460 229 G N 2.686 111.398 108.800 -0.147 0.000 2.535 229 G HA2 0.536 4.548 3.960 0.086 0.000 0.303 229 G HA3 0.536 4.548 3.960 0.086 0.000 0.303 229 G C 0.911 175.754 174.900 -0.095 0.000 1.237 229 G CA -0.051 44.960 45.100 -0.148 0.000 0.986 229 G HN 1.531 nan 8.290 nan 0.000 0.494 230 G N -1.773 106.984 108.800 -0.071 0.000 2.203 230 G HA2 -0.228 3.784 3.960 0.086 0.000 0.263 230 G HA3 -0.228 3.784 3.960 0.086 0.000 0.263 230 G C 0.225 175.096 174.900 -0.049 0.000 1.012 230 G CA 0.896 45.981 45.100 -0.026 0.000 0.749 230 G HN 0.566 nan 8.290 nan 0.000 0.512 231 L N -1.923 119.250 121.223 -0.083 0.000 2.260 231 L HA 0.728 5.120 4.340 0.086 0.000 0.265 231 L C 1.572 178.391 176.870 -0.084 0.000 1.015 231 L CA -0.652 54.128 54.840 -0.101 0.000 0.826 231 L CB 1.569 43.570 42.059 -0.097 0.000 1.373 231 L HN 1.146 nan 8.230 nan 0.000 0.450 232 A N 0.409 123.174 122.820 -0.091 0.000 2.869 232 A HA -0.129 4.243 4.320 0.086 0.000 0.280 232 A C 0.287 177.862 177.584 -0.016 0.000 1.458 232 A CA 0.837 52.845 52.037 -0.049 0.000 0.776 232 A CB -2.299 16.686 19.000 -0.023 0.000 1.028 232 A HN 0.978 nan 8.150 nan 0.000 0.547 233 V N -4.902 114.987 119.914 -0.041 0.000 2.991 233 V HA 0.703 4.874 4.120 0.086 0.000 0.355 233 V C 1.294 177.413 176.094 0.042 0.000 1.384 233 V CA 0.634 62.957 62.300 0.039 0.000 1.171 233 V CB -0.223 31.653 31.823 0.089 0.000 1.190 233 V HN 2.362 nan 8.190 nan 0.000 0.540 234 G N 1.487 110.271 108.800 -0.027 0.000 2.229 234 G HA2 -0.216 3.795 3.960 0.086 0.000 0.189 234 G HA3 -0.216 3.795 3.960 0.086 0.000 0.189 234 G C 0.821 175.671 174.900 -0.083 0.000 1.000 234 G CA 0.309 45.428 45.100 0.030 0.000 0.663 234 G HN 0.677 nan 8.290 nan 0.000 0.493 235 E N 1.631 121.543 120.200 -0.480 0.000 2.358 235 E HA 0.369 4.771 4.350 0.086 0.000 0.195 235 E C 1.239 177.676 176.600 -0.270 0.000 1.010 235 E CA 1.416 57.390 56.400 -0.710 0.000 0.856 235 E CB -0.267 28.758 29.700 -1.125 0.000 0.795 235 E HN 2.015 nan 8.360 nan 0.000 0.504 236 G N 1.532 110.215 108.800 -0.195 0.000 2.705 236 G HA2 -0.300 3.711 3.960 0.086 0.000 0.686 236 G HA3 -0.300 3.711 3.960 0.086 0.000 0.686 236 G C 0.131 174.901 174.900 -0.217 0.000 1.285 236 G CA 0.074 45.083 45.100 -0.151 0.000 0.800 236 G HN 0.210 nan 8.290 nan 0.000 0.611 237 Q N -0.271 119.372 119.800 -0.262 0.000 2.084 237 Q HA -0.161 4.231 4.340 0.086 0.000 0.202 237 Q C 2.073 177.752 176.000 -0.534 0.000 0.978 237 Q CA 2.304 57.807 55.803 -0.498 0.000 0.844 237 Q CB -0.110 28.297 28.738 -0.552 0.000 0.898 237 Q HN 0.682 nan 8.270 nan 0.000 0.426 238 D N 0.261 120.483 120.400 -0.296 0.000 2.104 238 D HA -0.197 4.494 4.640 0.086 0.000 0.194 238 D C 1.727 177.970 176.300 -0.096 0.000 0.994 238 D CA 1.535 55.442 54.000 -0.156 0.000 0.830 238 D CB -0.213 40.540 40.800 -0.079 0.000 0.959 238 D HN 0.313 nan 8.370 nan 0.000 0.452 239 E N 0.015 120.143 120.200 -0.120 0.000 2.152 239 E HA -0.080 4.322 4.350 0.086 0.000 0.192 239 E C 2.039 178.560 176.600 -0.133 0.000 0.983 239 E CA 0.515 56.851 56.400 -0.107 0.000 0.818 239 E CB -0.168 29.457 29.700 -0.125 0.000 0.758 239 E HN 0.213 nan 8.360 nan 0.000 0.467 240 M N -0.713 118.788 119.600 -0.166 0.000 2.117 240 M HA -0.133 4.399 4.480 0.086 0.000 0.262 240 M C 1.193 177.530 176.300 0.062 0.000 1.065 240 M CA 1.350 56.589 55.300 -0.103 0.000 1.114 240 M CB -0.096 32.437 32.600 -0.112 0.000 1.361 240 M HN 0.137 nan 8.290 nan 0.000 0.408 241 F N 0.406 120.297 119.950 -0.098 0.000 2.171 241 F HA -0.137 4.441 4.527 0.085 0.000 0.300 241 F C 2.647 178.358 175.800 -0.149 0.000 1.090 241 F CA 1.372 59.319 58.000 -0.089 0.000 1.293 241 F CB -1.342 37.633 39.000 -0.042 0.000 1.013 241 F HN 0.279 nan 8.300 nan 0.000 0.486 242 R N 0.396 120.919 120.500 0.038 0.000 2.073 242 R HA -0.129 4.263 4.340 0.086 0.000 0.234 242 R C 2.080 178.123 176.300 -0.427 0.000 1.134 242 R CA 1.692 57.736 56.100 -0.093 0.000 0.952 242 R CB -0.414 29.870 30.300 -0.027 0.000 0.850 242 R HN 0.134 nan 8.270 nan 0.000 0.433 243 V N 1.437 121.066 119.914 -0.475 0.000 2.358 243 V HA -0.216 3.956 4.120 0.086 0.000 0.246 243 V C 2.386 177.988 176.094 -0.820 0.000 1.047 243 V CA 1.509 63.259 62.300 -0.916 0.000 1.035 243 V CB -0.395 31.199 31.823 -0.382 0.000 0.658 243 V HN 0.337 nan 8.190 nan 0.000 0.452 244 L N -0.172 120.834 121.223 -0.362 0.000 2.079 244 L HA -0.200 4.191 4.340 0.086 0.000 0.210 244 L C 2.406 179.127 176.870 -0.248 0.000 1.081 244 L CA 1.462 56.166 54.840 -0.227 0.000 0.752 244 L CB -0.818 41.198 42.059 -0.071 0.000 0.896 244 L HN 0.348 nan 8.230 nan 0.000 0.433 245 D N 0.389 120.626 120.400 -0.273 0.000 2.133 245 D HA -0.216 4.476 4.640 0.086 0.000 0.195 245 D C 1.873 178.134 176.300 -0.064 0.000 0.997 245 D CA 1.763 55.675 54.000 -0.146 0.000 0.840 245 D CB -0.125 40.622 40.800 -0.089 0.000 0.947 245 D HN 0.502 nan 8.370 nan 0.000 0.452 246 F N -0.674 119.274 119.950 -0.004 0.000 2.656 246 F HA 0.368 4.947 4.527 0.087 0.000 0.291 246 F C 2.142 177.924 175.800 -0.029 0.000 1.122 246 F CA -0.182 57.811 58.000 -0.011 0.000 1.427 246 F CB -0.486 38.513 39.000 -0.002 0.000 1.125 246 F HN -0.252 nan 8.300 nan 0.000 0.583 247 S N 1.030 116.766 115.700 0.060 0.000 2.371 247 S HA -0.038 4.484 4.470 0.086 0.000 0.221 247 S C 2.169 176.744 174.600 -0.041 0.000 1.036 247 S CA 1.113 59.363 58.200 0.083 0.000 0.965 247 S CB -0.480 62.710 63.200 -0.016 0.000 0.845 247 S HN 0.236 nan 8.310 nan 0.000 0.475 248 V N 2.852 122.706 119.914 -0.101 0.000 2.343 248 V HA -0.082 4.089 4.120 0.086 0.000 0.247 248 V C -0.977 175.005 176.094 -0.187 0.000 1.051 248 V CA 1.568 63.755 62.300 -0.188 0.000 1.036 248 V CB -1.870 29.867 31.823 -0.142 0.000 0.654 248 V HN 0.326 nan 8.190 nan 0.000 0.451 249 P HA -0.095 nan 4.420 nan 0.000 0.228 249 P C 1.700 178.967 177.300 -0.056 0.000 1.151 249 P CA 1.256 64.331 63.100 -0.041 0.000 0.770 249 P CB -0.126 31.580 31.700 0.010 0.000 0.786 250 M N -1.786 117.774 119.600 -0.066 0.000 2.394 250 M HA -0.030 4.502 4.480 0.086 0.000 0.264 250 M C 0.678 176.889 176.300 -0.148 0.000 1.073 250 M CA 0.906 56.163 55.300 -0.072 0.000 1.111 250 M CB -0.460 32.119 32.600 -0.035 0.000 1.401 250 M HN -0.091 nan 8.290 nan 0.000 0.448 251 L N 0.326 121.409 121.223 -0.234 0.000 2.418 251 L HA 0.276 4.668 4.340 0.086 0.000 0.265 251 L C -2.075 174.646 176.870 -0.248 0.000 1.143 251 L CA -2.271 52.353 54.840 -0.361 0.000 0.809 251 L CB -0.432 41.340 42.059 -0.478 0.000 1.124 251 L HN -0.230 nan 8.230 nan 0.000 0.456 252 P HA -0.062 nan 4.420 nan 0.000 0.261 252 P C -0.088 177.307 177.300 0.159 0.000 1.183 252 P CA 0.305 63.355 63.100 -0.084 0.000 0.761 252 P CB 0.505 32.130 31.700 -0.125 0.000 0.785 253 D N 2.899 123.386 120.400 0.146 0.000 2.144 253 D HA -0.196 4.496 4.640 0.086 0.000 0.199 253 D C 1.119 177.530 176.300 0.185 0.000 0.984 253 D CA 1.248 55.370 54.000 0.204 0.000 0.834 253 D CB -0.049 40.820 40.800 0.115 0.000 0.955 253 D HN 0.387 nan 8.370 nan 0.000 0.465 254 D N -0.591 119.908 120.400 0.166 0.000 2.349 254 D HA -0.032 4.660 4.640 0.086 0.000 0.224 254 D C -0.074 176.424 176.300 0.330 0.000 1.029 254 D CA 0.305 54.414 54.000 0.181 0.000 0.879 254 D CB -0.089 40.785 40.800 0.124 0.000 0.906 254 D HN 0.192 nan 8.370 nan 0.000 0.528 255 K N 0.277 120.861 120.400 0.307 0.000 2.340 255 K HA 0.483 4.854 4.320 0.086 0.000 0.244 255 K C -2.852 173.654 176.600 -0.157 0.000 0.973 255 K CA -2.284 54.152 56.287 0.249 0.000 0.828 255 K CB 1.796 34.468 32.500 0.287 0.000 1.226 255 K HN -0.158 nan 8.250 nan 0.000 0.437 256 P HA 0.020 nan 4.420 nan 0.000 0.269 256 P C -1.139 176.019 177.300 -0.237 0.000 1.215 256 P CA 0.136 62.769 63.100 -0.779 0.000 0.780 256 P CB 0.380 31.692 31.700 -0.647 0.000 0.898 257 H N 1.455 120.451 119.070 -0.124 0.000 2.539 257 H HA 0.321 4.928 4.556 0.086 0.000 0.332 257 H C -0.992 174.336 175.328 0.000 0.000 1.031 257 H CA -0.409 55.620 56.048 -0.032 0.000 1.206 257 H CB 0.480 30.224 29.762 -0.030 0.000 1.446 257 H HN 0.383 nan 8.280 nan 0.000 0.496 258 Y N 4.152 124.464 120.300 0.020 0.000 2.328 258 Y HA 0.363 4.965 4.550 0.087 0.000 0.336 258 Y C -1.510 174.324 175.900 -0.111 0.000 0.960 258 Y CA -1.671 56.387 58.100 -0.071 0.000 1.134 258 Y CB 0.909 39.413 38.460 0.073 0.000 1.166 258 Y HN 0.487 nan 8.280 nan 0.000 0.464 259 L N 7.769 128.897 121.223 -0.158 0.000 2.259 259 L HA 0.447 4.839 4.340 0.086 0.000 0.288 259 L C -0.689 176.032 176.870 -0.248 0.000 1.051 259 L CA -0.365 54.351 54.840 -0.208 0.000 0.824 259 L CB 0.216 42.236 42.059 -0.066 0.000 1.206 259 L HN 0.710 nan 8.230 nan 0.000 0.429 260 M N 5.173 124.462 119.600 -0.518 0.000 2.217 260 M HA 0.276 4.808 4.480 0.086 0.000 0.352 260 M C 1.365 177.532 176.300 -0.222 0.000 1.376 260 M CA 0.705 55.687 55.300 -0.530 0.000 1.107 260 M CB 0.382 32.602 32.600 -0.634 0.000 1.723 260 M HN 0.879 nan 8.290 nan 0.000 0.461 261 G N 2.486 111.228 108.800 -0.098 0.000 2.179 261 G HA2 -0.185 3.827 3.960 0.086 0.000 0.260 261 G HA3 -0.185 3.827 3.960 0.086 0.000 0.260 261 G C -0.174 174.772 174.900 0.076 0.000 0.977 261 G CA -0.210 44.856 45.100 -0.056 0.000 0.641 261 G HN 0.572 nan 8.290 nan 0.000 0.533 262 V N 0.277 120.305 119.914 0.189 0.000 2.483 262 V HA 0.921 5.093 4.120 0.086 0.000 0.295 262 V C 0.829 177.167 176.094 0.407 0.000 1.035 262 V CA 0.677 63.144 62.300 0.278 0.000 0.896 262 V CB 1.242 33.264 31.823 0.330 0.000 0.986 262 V HN 1.566 nan 8.190 nan 0.000 0.447 263 G N 2.489 111.470 108.800 0.302 0.000 2.360 263 G HA2 0.531 4.542 3.960 0.086 0.000 0.276 263 G HA3 0.531 4.542 3.960 0.086 0.000 0.276 263 G C -0.498 174.496 174.900 0.157 0.000 1.256 263 G CA -0.150 45.069 45.100 0.198 0.000 0.890 263 G HN 0.838 nan 8.290 nan 0.000 0.486 264 K N 0.259 120.736 120.400 0.128 0.000 2.336 264 K HA 0.566 4.937 4.320 0.086 0.000 0.262 264 K C -1.004 175.546 176.600 -0.083 0.000 0.992 264 K CA 0.196 56.538 56.287 0.092 0.000 0.927 264 K CB -0.726 31.889 32.500 0.192 0.000 0.956 264 K HN 0.289 nan 8.250 nan 0.000 0.495 265 P HA -0.261 nan 4.420 nan 0.000 0.216 265 P C 0.772 177.932 177.300 -0.233 0.000 1.157 265 P CA 1.714 64.537 63.100 -0.462 0.000 0.880 265 P CB 0.191 31.597 31.700 -0.491 0.000 0.791 266 D N -1.084 119.328 120.400 0.020 0.000 2.178 266 D HA -0.168 4.523 4.640 0.086 0.000 0.202 266 D C 1.268 177.725 176.300 0.262 0.000 0.974 266 D CA 1.061 55.225 54.000 0.274 0.000 0.841 266 D CB -1.071 40.037 40.800 0.515 0.000 0.953 266 D HN 0.129 nan 8.370 nan 0.000 0.478 267 D N 1.136 121.651 120.400 0.192 0.000 2.097 267 D HA -0.078 4.614 4.640 0.086 0.000 0.195 267 D C 2.402 178.821 176.300 0.198 0.000 0.989 267 D CA 0.520 54.674 54.000 0.257 0.000 0.827 267 D CB -0.293 40.597 40.800 0.150 0.000 0.966 267 D HN 0.317 nan 8.370 nan 0.000 0.456 268 I N 0.428 120.937 120.570 -0.100 0.000 2.163 268 I HA -0.251 3.970 4.170 0.086 0.000 0.243 268 I C 2.425 178.438 176.117 -0.173 0.000 1.085 268 I CA 0.708 61.723 61.300 -0.475 0.000 1.347 268 I CB -0.236 37.310 38.000 -0.757 0.000 1.044 268 I HN -0.090 nan 8.210 nan 0.000 0.408 269 V N 1.048 120.915 119.914 -0.078 0.000 2.261 269 V HA -0.237 3.935 4.120 0.086 0.000 0.246 269 V C 2.616 178.797 176.094 0.144 0.000 1.047 269 V CA 2.283 64.626 62.300 0.071 0.000 1.015 269 V CB -1.464 30.340 31.823 -0.031 0.000 0.642 269 V HN 0.585 nan 8.190 nan 0.000 0.446 270 G N -0.608 108.244 108.800 0.085 0.000 2.442 270 G HA2 -0.204 3.808 3.960 0.086 0.000 0.219 270 G HA3 -0.204 3.808 3.960 0.086 0.000 0.219 270 G C 1.701 176.416 174.900 -0.309 0.000 1.141 270 G CA 1.088 46.026 45.100 -0.269 0.000 0.763 270 G HN 0.627 nan 8.290 nan 0.000 0.554 271 A N -0.035 122.802 122.820 0.028 0.000 1.929 271 A HA 0.209 4.580 4.320 0.086 0.000 0.216 271 A C 2.552 180.287 177.584 0.252 0.000 1.176 271 A CA 1.453 53.600 52.037 0.185 0.000 0.628 271 A CB -0.393 18.912 19.000 0.507 0.000 0.816 271 A HN 0.222 nan 8.150 nan 0.000 0.444 272 V N 0.437 120.555 119.914 0.339 0.000 2.407 272 V HA -0.259 3.913 4.120 0.086 0.000 0.248 272 V C 2.249 178.486 176.094 0.238 0.000 1.055 272 V CA 2.177 64.637 62.300 0.267 0.000 1.049 272 V CB -0.845 31.076 31.823 0.163 0.000 0.662 272 V HN 0.636 nan 8.190 nan 0.000 0.455 273 E N -0.187 120.204 120.200 0.320 0.000 2.331 273 E HA -0.184 4.218 4.350 0.086 0.000 0.199 273 E C 1.944 178.605 176.600 0.101 0.000 1.008 273 E CA 0.773 57.340 56.400 0.277 0.000 0.843 273 E CB -0.089 29.662 29.700 0.086 0.000 0.761 273 E HN 0.537 nan 8.360 nan 0.000 0.507 274 R N -0.933 119.592 120.500 0.041 0.000 2.468 274 R HA 0.146 4.537 4.340 0.086 0.000 0.280 274 R C 0.653 176.983 176.300 0.050 0.000 0.963 274 R CA 0.418 56.519 56.100 0.001 0.000 1.083 274 R CB 1.144 31.393 30.300 -0.085 0.000 1.200 274 R HN 0.180 nan 8.270 nan 0.000 0.541 275 G N 0.864 109.726 108.800 0.103 0.000 2.144 275 G HA2 -0.180 3.832 3.960 0.086 0.000 0.218 275 G HA3 -0.180 3.832 3.960 0.086 0.000 0.218 275 G C -0.036 174.991 174.900 0.212 0.000 0.988 275 G CA -0.627 44.571 45.100 0.162 0.000 0.659 275 G HN 0.084 nan 8.290 nan 0.000 0.522 276 I N 1.391 122.039 120.570 0.130 0.000 2.428 276 I HA 0.352 4.573 4.170 0.086 0.000 0.289 276 I C 0.461 176.557 176.117 -0.035 0.000 1.019 276 I CA -0.446 60.870 61.300 0.025 0.000 1.351 276 I CB 1.296 39.238 38.000 -0.097 0.000 1.412 276 I HN 0.053 nan 8.210 nan 0.000 0.513 277 D N 4.879 125.208 120.400 -0.120 0.000 2.454 277 D HA 0.212 4.904 4.640 0.086 0.000 0.214 277 D C 0.208 176.429 176.300 -0.132 0.000 1.088 277 D CA 0.686 54.638 54.000 -0.079 0.000 0.855 277 D CB 1.134 41.868 40.800 -0.109 0.000 1.025 277 D HN 0.396 nan 8.370 nan 0.000 0.502 278 M N 0.220 119.623 119.600 -0.329 0.000 2.433 278 M HA 0.424 4.955 4.480 0.086 0.000 0.290 278 M C -1.608 174.423 176.300 -0.448 0.000 1.173 278 M CA -0.524 54.622 55.300 -0.257 0.000 0.905 278 M CB 3.074 35.556 32.600 -0.197 0.000 1.692 278 M HN -0.297 nan 8.290 nan 0.000 0.462 279 F N 0.829 120.856 119.950 0.129 0.000 2.578 279 F HA 0.541 5.119 4.527 0.085 0.000 0.311 279 F C -0.671 175.095 175.800 -0.056 0.000 1.094 279 F CA -0.802 57.310 58.000 0.187 0.000 0.923 279 F CB 1.860 41.045 39.000 0.309 0.000 1.230 279 F HN 0.526 nan 8.300 nan 0.000 0.450 280 D N 1.259 121.783 120.400 0.207 0.000 2.732 280 D HA 0.637 5.328 4.640 0.086 0.000 0.229 280 D C -1.319 175.025 176.300 0.073 0.000 1.152 280 D CA -0.511 53.418 54.000 -0.118 0.000 0.854 280 D CB 2.311 43.063 40.800 -0.079 0.000 1.590 280 D HN 0.749 nan 8.370 nan 0.000 0.468 281 C N -0.437 118.902 119.300 0.065 0.000 3.284 281 C HA 0.490 5.001 4.460 0.086 0.000 0.338 281 C C 0.768 175.815 174.990 0.094 0.000 1.237 281 C CA -0.692 58.411 59.018 0.142 0.000 1.276 281 C CB 0.791 28.669 27.740 0.230 0.000 1.601 281 C HN 0.453 nan 8.230 nan 0.000 0.494 282 V N 2.013 121.965 119.914 0.062 0.000 3.541 282 V HA 0.050 4.222 4.120 0.086 0.000 0.267 282 V C 2.774 178.893 176.094 0.042 0.000 1.213 282 V CA 1.924 64.247 62.300 0.038 0.000 1.149 282 V CB -0.743 31.103 31.823 0.037 0.000 0.822 282 V HN 1.233 nan 8.190 nan 0.000 0.462 283 L N 0.744 122.003 121.223 0.059 0.000 1.963 283 L HA -0.036 4.356 4.340 0.086 0.000 0.220 283 L C 0.461 177.368 176.870 0.062 0.000 1.076 283 L CA 2.482 57.375 54.840 0.089 0.000 0.772 283 L CB -2.933 39.208 42.059 0.136 0.000 0.892 283 L HN 0.483 nan 8.230 nan 0.000 0.435 291 G N -1.031 107.719 108.800 -0.082 0.000 3.337 291 G HA2 0.254 4.265 3.960 0.086 0.000 0.246 291 G HA3 0.254 4.265 3.960 0.086 0.000 0.246 291 G C 0.360 175.177 174.900 -0.139 0.000 1.131 291 G CA 0.415 45.454 45.100 -0.102 0.000 0.773 291 G HN 0.846 nan 8.290 nan 0.000 0.544 292 Q N 1.102 120.808 119.800 -0.158 0.000 2.293 292 Q HA 0.542 4.934 4.340 0.086 0.000 0.263 292 Q C -0.483 175.316 176.000 -0.334 0.000 1.002 292 Q CA -0.393 55.248 55.803 -0.269 0.000 0.910 292 Q CB 0.853 29.415 28.738 -0.294 0.000 1.185 292 Q HN 0.152 nan 8.270 nan 0.000 0.401 293 A N 4.720 127.307 122.820 -0.388 0.000 2.318 293 A HA 0.580 4.951 4.320 0.086 0.000 0.324 293 A C -1.241 176.035 177.584 -0.514 0.000 1.170 293 A CA -0.636 51.213 52.037 -0.313 0.000 0.810 293 A CB 0.537 19.375 19.000 -0.269 0.000 1.198 293 A HN 0.743 nan 8.150 nan 0.000 0.484 294 F N 1.579 121.388 119.950 -0.234 0.000 2.399 294 F HA 0.528 5.104 4.527 0.083 0.000 0.342 294 F C 1.358 176.627 175.800 -0.885 0.000 1.106 294 F CA 0.699 58.325 58.000 -0.623 0.000 1.196 294 F CB 1.795 40.262 39.000 -0.888 0.000 1.163 294 F HN 0.652 nan 8.300 nan 0.000 0.547 295 T N -1.811 112.350 114.554 -0.655 0.000 2.883 295 T HA 0.259 4.661 4.350 0.086 0.000 0.296 295 T C 0.076 174.706 174.700 -0.116 0.000 1.117 295 T CA -0.924 60.927 62.100 -0.415 0.000 1.006 295 T CB 0.820 69.591 68.868 -0.162 0.000 1.191 295 T HN 0.603 nan 8.240 nan 0.000 0.508 296 W N 0.286 121.807 121.300 0.368 0.000 2.525 296 W HA 0.126 4.837 4.660 0.085 0.000 0.259 296 W C 1.168 177.780 176.519 0.156 0.000 1.253 296 W CA 0.076 57.681 57.345 0.433 0.000 1.262 296 W CB 0.113 29.781 29.460 0.347 0.000 1.122 296 W HN 0.663 nan 8.180 nan 0.000 0.607 297 D N 0.035 120.538 120.400 0.173 0.000 2.352 297 D HA 0.235 4.927 4.640 0.086 0.000 0.236 297 D C 1.151 177.253 176.300 -0.330 0.000 1.148 297 D CA 1.024 54.994 54.000 -0.051 0.000 0.844 297 D CB -0.156 40.641 40.800 -0.005 0.000 0.933 297 D HN 0.128 nan 8.370 nan 0.000 0.507 298 G N 2.313 110.709 108.800 -0.674 0.000 2.712 298 G HA2 -0.172 3.840 3.960 0.086 0.000 0.683 298 G HA3 -0.172 3.840 3.960 0.086 0.000 0.683 298 G C -2.944 171.580 174.900 -0.626 0.000 1.320 298 G CA -1.102 43.268 45.100 -1.217 0.000 0.847 298 G HN -0.062 nan 8.290 nan 0.000 0.553 299 P HA 0.591 nan 4.420 nan 0.000 0.274 299 P C 0.084 177.195 177.300 -0.315 0.000 1.237 299 P CA -0.164 62.676 63.100 -0.432 0.000 0.793 299 P CB 0.943 32.386 31.700 -0.427 0.000 0.977 300 I N -2.085 118.300 120.570 -0.309 0.000 2.828 300 I HA 0.547 4.769 4.170 0.086 0.000 0.302 300 I C -0.674 175.329 176.117 -0.189 0.000 1.101 300 I CA -1.106 60.085 61.300 -0.183 0.000 1.031 300 I CB 2.462 40.326 38.000 -0.226 0.000 1.231 300 I HN 0.107 nan 8.210 nan 0.000 0.427 301 N N 3.518 122.194 118.700 -0.041 0.000 2.469 301 N HA 0.256 5.048 4.740 0.086 0.000 0.253 301 N C 0.264 175.795 175.510 0.034 0.000 0.970 301 N CA -0.385 52.641 53.050 -0.041 0.000 0.940 301 N CB 1.775 40.262 38.487 0.000 0.000 1.128 301 N HN 0.835 nan 8.380 nan 0.000 0.503 302 I N 4.318 124.819 120.570 -0.115 0.000 2.850 302 I HA -0.073 4.149 4.170 0.086 0.000 0.266 302 I C 1.974 178.227 176.117 0.227 0.000 1.257 302 I CA 0.872 62.107 61.300 -0.108 0.000 1.465 302 I CB 0.002 37.876 38.000 -0.209 0.000 1.091 302 I HN 0.490 nan 8.210 nan 0.000 0.467 303 R N 0.172 120.764 120.500 0.153 0.000 2.235 303 R HA -0.048 4.344 4.340 0.086 0.000 0.213 303 R C 0.991 177.483 176.300 0.321 0.000 1.059 303 R CA 0.055 56.244 56.100 0.149 0.000 0.997 303 R CB -0.623 29.685 30.300 0.014 0.000 0.884 303 R HN 0.363 nan 8.270 nan 0.000 0.462 304 N N 1.218 120.120 118.700 0.337 0.000 2.454 304 N HA -0.048 4.743 4.740 0.086 0.000 0.260 304 N C 0.808 176.404 175.510 0.142 0.000 1.218 304 N CA 0.325 53.498 53.050 0.204 0.000 0.904 304 N CB 1.206 39.766 38.487 0.122 0.000 1.065 304 N HN 0.088 nan 8.380 nan 0.000 0.462 305 A N 4.982 127.839 122.820 0.062 0.000 2.032 305 A HA -0.226 4.145 4.320 0.086 0.000 0.221 305 A C 1.993 179.440 177.584 -0.228 0.000 1.165 305 A CA 1.701 53.721 52.037 -0.028 0.000 0.645 305 A CB -0.435 18.557 19.000 -0.013 0.000 0.807 305 A HN 0.911 nan 8.150 nan 0.000 0.453 306 R N -1.886 118.402 120.500 -0.353 0.000 2.328 306 R HA -0.018 4.374 4.340 0.086 0.000 0.207 306 R C 0.502 176.419 176.300 -0.638 0.000 1.056 306 R CA 1.344 57.136 56.100 -0.514 0.000 1.016 306 R CB -0.464 29.454 30.300 -0.637 0.000 0.872 306 R HN 0.412 nan 8.270 nan 0.000 0.471 307 F N 1.361 121.149 119.950 -0.271 0.000 2.695 307 F HA 0.188 4.769 4.527 0.090 0.000 0.303 307 F C 2.109 177.640 175.800 -0.450 0.000 1.091 307 F CA 0.085 57.910 58.000 -0.292 0.000 1.300 307 F CB 0.522 39.403 39.000 -0.199 0.000 1.071 307 F HN 0.100 nan 8.300 nan 0.000 0.578 308 S N -0.165 115.234 115.700 -0.502 0.000 2.419 308 S HA -0.168 4.354 4.470 0.086 0.000 0.235 308 S C 1.156 175.717 174.600 -0.066 0.000 1.019 308 S CA 1.412 59.383 58.200 -0.382 0.000 0.982 308 S CB -0.312 62.789 63.200 -0.164 0.000 0.789 308 S HN 0.553 nan 8.310 nan 0.000 0.490 309 E N 0.414 120.585 120.200 -0.050 0.000 2.876 309 E HA 0.186 4.588 4.350 0.086 0.000 0.208 309 E C -1.124 175.490 176.600 0.024 0.000 0.981 309 E CA -0.254 56.149 56.400 0.005 0.000 1.174 309 E CB 0.440 30.135 29.700 -0.008 0.000 1.047 309 E HN 0.311 nan 8.360 nan 0.000 0.477 310 D N 1.237 121.666 120.400 0.050 0.000 2.339 310 D HA 0.096 4.788 4.640 0.086 0.000 0.241 310 D C 0.734 177.088 176.300 0.090 0.000 1.183 310 D CA -0.071 53.981 54.000 0.086 0.000 0.859 310 D CB 0.985 41.895 40.800 0.184 0.000 1.067 310 D HN 0.152 nan 8.370 nan 0.000 0.484 311 L N 3.037 124.300 121.223 0.067 0.000 2.554 311 L HA 0.071 4.463 4.340 0.086 0.000 0.226 311 L C 1.299 178.205 176.870 0.061 0.000 1.137 311 L CA 0.244 55.123 54.840 0.064 0.000 0.863 311 L CB -0.094 41.991 42.059 0.043 0.000 0.985 311 L HN 0.150 nan 8.230 nan 0.000 0.451 312 K N 1.330 121.766 120.400 0.060 0.000 2.276 312 K HA 0.143 4.515 4.320 0.086 0.000 0.259 312 K C -2.143 174.483 176.600 0.043 0.000 1.001 312 K CA -1.591 54.726 56.287 0.050 0.000 0.927 312 K CB -0.002 32.530 32.500 0.052 0.000 0.969 312 K HN -0.152 nan 8.250 nan 0.000 0.490 313 P HA 0.011 nan 4.420 nan 0.000 0.274 313 P C 0.761 178.029 177.300 -0.053 0.000 1.256 313 P CA -0.165 62.947 63.100 0.020 0.000 0.795 313 P CB 0.525 32.251 31.700 0.043 0.000 1.038 314 L N -1.190 119.942 121.223 -0.152 0.000 2.021 314 L HA -0.131 4.261 4.340 0.086 0.000 0.215 314 L C 1.446 178.193 176.870 -0.205 0.000 1.074 314 L CA 1.769 56.420 54.840 -0.315 0.000 0.760 314 L CB -0.503 41.153 42.059 -0.671 0.000 0.889 314 L HN 0.514 nan 8.230 nan 0.000 0.433 315 D N -1.662 118.693 120.400 -0.075 0.000 2.819 315 D HA 0.112 4.804 4.640 0.086 0.000 0.232 315 D C 0.612 176.991 176.300 0.131 0.000 1.160 315 D CA 0.224 54.272 54.000 0.079 0.000 0.858 315 D CB 2.027 42.958 40.800 0.217 0.000 1.610 315 D HN -0.032 nan 8.370 nan 0.000 0.481 316 S N 2.277 118.066 115.700 0.149 0.000 2.447 316 S HA -0.082 4.440 4.470 0.086 0.000 0.233 316 S C 1.098 175.767 174.600 0.115 0.000 1.006 316 S CA 0.826 59.097 58.200 0.118 0.000 0.957 316 S CB 0.070 63.337 63.200 0.110 0.000 0.773 316 S HN 0.607 nan 8.310 nan 0.000 0.507 317 E N -0.370 119.932 120.200 0.169 0.000 2.434 317 E HA 0.207 4.609 4.350 0.086 0.000 0.207 317 E C 0.389 176.947 176.600 -0.070 0.000 0.929 317 E CA -0.288 56.155 56.400 0.072 0.000 1.001 317 E CB 0.611 30.380 29.700 0.114 0.000 1.016 317 E HN 0.480 nan 8.360 nan 0.000 0.502 318 C N 1.637 121.026 119.300 0.150 0.000 2.563 318 C HA -0.032 4.480 4.460 0.086 0.000 0.411 318 C C 1.223 176.210 174.990 -0.006 0.000 1.386 318 C CA 0.228 59.336 59.018 0.150 0.000 1.703 318 C CB -0.451 27.513 27.740 0.374 0.000 2.596 318 C HN 0.453 nan 8.230 nan 0.000 0.605 319 H N 3.134 122.340 119.070 0.227 0.000 2.539 319 H HA 0.145 4.751 4.556 0.083 0.000 0.269 319 H C 1.373 176.796 175.328 0.158 0.000 0.980 319 H CA 0.197 56.341 56.048 0.160 0.000 1.152 319 H CB -0.086 29.750 29.762 0.124 0.000 1.407 319 H HN 0.890 nan 8.280 nan 0.000 0.564 320 C N 0.083 119.546 119.300 0.272 0.000 2.700 320 C HA 0.487 4.998 4.460 0.086 0.000 0.397 320 C C 2.256 177.383 174.990 0.229 0.000 1.301 320 C CA -0.021 59.145 59.018 0.247 0.000 2.219 320 C CB 0.415 28.314 27.740 0.266 0.000 2.699 320 C HN 0.513 nan 8.230 nan 0.000 0.669 321 A N 2.211 125.160 122.820 0.215 0.000 2.019 321 A HA -0.002 4.370 4.320 0.086 0.000 0.219 321 A C 2.073 179.815 177.584 0.263 0.000 1.164 321 A CA 2.012 54.167 52.037 0.196 0.000 0.644 321 A CB -0.814 18.305 19.000 0.199 0.000 0.805 321 A HN 1.035 nan 8.150 nan 0.000 0.449 322 V N -1.140 118.989 119.914 0.357 0.000 2.358 322 V HA -0.292 3.880 4.120 0.086 0.000 0.246 322 V C 2.481 178.789 176.094 0.358 0.000 1.047 322 V CA 2.043 64.642 62.300 0.499 0.000 1.035 322 V CB -0.963 31.084 31.823 0.374 0.000 0.658 322 V HN 0.691 nan 8.190 nan 0.000 0.452 323 C N -0.244 119.206 119.300 0.251 0.000 2.481 323 C HA -0.007 4.505 4.460 0.086 0.000 0.275 323 C C 3.236 178.293 174.990 0.111 0.000 1.419 323 C CA 0.844 59.962 59.018 0.165 0.000 1.773 323 C CB -1.272 26.570 27.740 0.170 0.000 1.862 323 C HN 0.725 nan 8.230 nan 0.000 0.530 324 Q N 0.801 120.660 119.800 0.097 0.000 2.167 324 Q HA -0.143 4.249 4.340 0.086 0.000 0.202 324 Q C 1.788 177.732 176.000 -0.093 0.000 0.970 324 Q CA 1.891 57.706 55.803 0.019 0.000 0.855 324 Q CB -0.410 28.340 28.738 0.020 0.000 0.911 324 Q HN 0.829 nan 8.270 nan 0.000 0.438 325 K N -2.855 117.430 120.400 -0.192 0.000 2.474 325 K HA 0.209 4.581 4.320 0.086 0.000 0.204 325 K C -0.250 175.999 176.600 -0.585 0.000 1.220 325 K CA -0.357 55.594 56.287 -0.559 0.000 0.966 325 K CB 1.104 32.904 32.500 -1.166 0.000 1.049 325 K HN 0.445 nan 8.250 nan 0.000 0.554 326 W N 1.726 123.056 121.300 0.051 0.000 2.864 326 W HA 0.343 5.028 4.660 0.041 0.000 0.343 326 W C 0.107 176.671 176.519 0.075 0.000 1.109 326 W CA -1.035 56.354 57.345 0.073 0.000 1.192 326 W CB 1.631 31.203 29.460 0.186 0.000 1.426 326 W HN -0.136 nan 8.180 nan 0.000 0.529 327 S N 0.806 116.707 115.700 0.335 0.000 2.652 327 S HA 0.395 4.916 4.470 0.086 0.000 0.270 327 S C 1.044 175.762 174.600 0.198 0.000 1.243 327 S CA -0.497 57.829 58.200 0.209 0.000 0.999 327 S CB 2.026 65.325 63.200 0.166 0.000 0.973 327 S HN 0.500 nan 8.310 nan 0.000 0.544 328 R N 0.783 121.339 120.500 0.093 0.000 2.103 328 R HA -0.156 4.235 4.340 0.086 0.000 0.242 328 R C 2.570 178.944 176.300 0.124 0.000 1.142 328 R CA 1.676 57.791 56.100 0.025 0.000 0.960 328 R CB -1.114 29.172 30.300 -0.022 0.000 0.858 328 R HN 0.845 nan 8.270 nan 0.000 0.439 329 A N 0.234 123.154 122.820 0.166 0.000 1.908 329 A HA -0.230 4.142 4.320 0.086 0.000 0.218 329 A C 1.988 179.751 177.584 0.297 0.000 1.181 329 A CA 1.343 53.500 52.037 0.199 0.000 0.627 329 A CB -0.691 18.401 19.000 0.154 0.000 0.818 329 A HN 0.462 nan 8.150 nan 0.000 0.445 330 Y N 0.381 120.777 120.300 0.159 0.000 2.163 330 Y HA -0.108 4.488 4.550 0.077 0.000 0.288 330 Y C 1.969 177.957 175.900 0.145 0.000 1.136 330 Y CA 1.500 59.703 58.100 0.172 0.000 1.147 330 Y CB -0.314 38.260 38.460 0.190 0.000 0.987 330 Y HN 0.260 nan 8.280 nan 0.000 0.509 331 I N -0.565 120.021 120.570 0.026 0.000 2.315 331 I HA -0.292 3.929 4.170 0.086 0.000 0.248 331 I C 2.414 178.469 176.117 -0.103 0.000 1.117 331 I CA 1.637 62.842 61.300 -0.157 0.000 1.404 331 I CB -0.582 37.365 38.000 -0.088 0.000 1.071 331 I HN 0.298 nan 8.210 nan 0.000 0.419 332 H N 0.535 119.565 119.070 -0.066 0.000 2.319 332 H HA -0.322 4.285 4.556 0.085 0.000 0.297 332 H C 2.368 177.678 175.328 -0.030 0.000 1.097 332 H CA 2.547 58.582 56.048 -0.021 0.000 1.285 332 H CB -0.259 29.550 29.762 0.078 0.000 1.368 332 H HN 0.429 nan 8.280 nan 0.000 0.495 333 H N -0.505 118.520 119.070 -0.076 0.000 2.290 333 H HA -0.117 4.490 4.556 0.084 0.000 0.298 333 H C 2.024 177.207 175.328 -0.241 0.000 1.087 333 H CA 1.944 57.902 56.048 -0.150 0.000 1.291 333 H CB -0.471 29.280 29.762 -0.019 0.000 1.369 333 H HN 0.343 nan 8.280 nan 0.000 0.492 334 L N 0.359 121.250 121.223 -0.553 0.000 2.012 334 L HA -0.174 4.217 4.340 0.086 0.000 0.210 334 L C 2.430 179.047 176.870 -0.421 0.000 1.073 334 L CA 1.312 55.803 54.840 -0.581 0.000 0.748 334 L CB -0.918 40.810 42.059 -0.552 0.000 0.891 334 L HN 0.467 nan 8.230 nan 0.000 0.431 335 I N -0.919 119.452 120.570 -0.332 0.000 2.252 335 I HA -0.229 3.993 4.170 0.086 0.000 0.245 335 I C 2.591 178.555 176.117 -0.256 0.000 1.102 335 I CA 1.057 62.206 61.300 -0.251 0.000 1.385 335 I CB -0.925 36.957 38.000 -0.197 0.000 1.064 335 I HN 0.339 nan 8.210 nan 0.000 0.414 336 R N 0.723 121.031 120.500 -0.321 0.000 2.120 336 R HA -0.087 4.305 4.340 0.086 0.000 0.234 336 R C 2.020 178.176 176.300 -0.239 0.000 1.123 336 R CA 1.434 57.365 56.100 -0.283 0.000 0.975 336 R CB -0.252 29.831 30.300 -0.362 0.000 0.866 336 R HN 0.321 nan 8.270 nan 0.000 0.446 337 A N -0.048 122.579 122.820 -0.322 0.000 2.208 337 A HA 0.187 4.559 4.320 0.086 0.000 0.209 337 A C 1.328 178.787 177.584 -0.208 0.000 1.161 337 A CA 0.769 52.636 52.037 -0.284 0.000 0.782 337 A CB -0.008 18.717 19.000 -0.458 0.000 0.816 337 A HN 0.435 nan 8.150 nan 0.000 0.477 338 G N -0.371 108.309 108.800 -0.201 0.000 2.176 338 G HA2 -0.212 3.799 3.960 0.086 0.000 0.252 338 G HA3 -0.212 3.799 3.960 0.086 0.000 0.252 338 G C -0.200 174.613 174.900 -0.146 0.000 1.024 338 G CA 0.315 45.326 45.100 -0.148 0.000 0.755 338 G HN 0.469 nan 8.290 nan 0.000 0.507 339 E N -0.676 119.410 120.200 -0.190 0.000 2.331 339 E HA 0.391 4.793 4.350 0.086 0.000 0.272 339 E C 1.836 178.349 176.600 -0.145 0.000 1.036 339 E CA -0.658 55.643 56.400 -0.166 0.000 0.864 339 E CB 0.784 30.358 29.700 -0.210 0.000 1.035 339 E HN 0.267 nan 8.360 nan 0.000 0.408 340 I N 2.074 122.579 120.570 -0.107 0.000 2.208 340 I HA -0.300 3.921 4.170 0.086 0.000 0.245 340 I C 2.217 178.265 176.117 -0.114 0.000 1.097 340 I CA 0.707 61.951 61.300 -0.094 0.000 1.363 340 I CB -0.176 37.784 38.000 -0.066 0.000 1.051 340 I HN 0.406 nan 8.210 nan 0.000 0.413 341 L N 1.159 122.304 121.223 -0.130 0.000 2.127 341 L HA -0.135 4.256 4.340 0.086 0.000 0.211 341 L C 2.283 179.019 176.870 -0.223 0.000 1.089 341 L CA 2.063 56.803 54.840 -0.167 0.000 0.757 341 L CB -1.117 40.840 42.059 -0.169 0.000 0.899 341 L HN 0.210 nan 8.230 nan 0.000 0.434 342 G N -1.245 107.412 108.800 -0.238 0.000 2.421 342 G HA2 -0.256 3.756 3.960 0.086 0.000 0.216 342 G HA3 -0.256 3.756 3.960 0.086 0.000 0.216 342 G C 1.629 176.428 174.900 -0.168 0.000 1.171 342 G CA 0.769 45.722 45.100 -0.245 0.000 0.775 342 G HN 0.608 nan 8.290 nan 0.000 0.543 343 A N 0.620 123.360 122.820 -0.132 0.000 1.908 343 A HA -0.041 4.330 4.320 0.086 0.000 0.218 343 A C 2.477 180.017 177.584 -0.073 0.000 1.181 343 A CA 1.980 53.963 52.037 -0.091 0.000 0.627 343 A CB -0.397 18.557 19.000 -0.076 0.000 0.818 343 A HN 0.395 nan 8.150 nan 0.000 0.445 344 M N -1.318 118.230 119.600 -0.086 0.000 2.080 344 M HA -0.155 4.376 4.480 0.086 0.000 0.260 344 M C 1.989 178.256 176.300 -0.054 0.000 1.068 344 M CA 1.338 56.599 55.300 -0.065 0.000 1.109 344 M CB -0.391 32.161 32.600 -0.079 0.000 1.342 344 M HN 0.335 nan 8.290 nan 0.000 0.405 345 L N -0.444 120.714 121.223 -0.109 0.000 2.072 345 L HA -0.105 4.287 4.340 0.086 0.000 0.205 345 L C 2.403 179.276 176.870 0.006 0.000 1.079 345 L CA 1.684 56.473 54.840 -0.086 0.000 0.752 345 L CB -0.869 41.059 42.059 -0.217 0.000 0.906 345 L HN 0.339 nan 8.230 nan 0.000 0.436 346 M N -1.298 118.285 119.600 -0.028 0.000 2.117 346 M HA -0.142 4.389 4.480 0.086 0.000 0.262 346 M C 2.146 178.493 176.300 0.078 0.000 1.065 346 M CA 1.560 56.872 55.300 0.020 0.000 1.114 346 M CB -1.364 31.216 32.600 -0.033 0.000 1.361 346 M HN 0.236 nan 8.290 nan 0.000 0.408 347 T N -0.106 114.471 114.554 0.038 0.000 2.777 347 T HA -0.160 4.242 4.350 0.086 0.000 0.266 347 T C 1.752 176.494 174.700 0.069 0.000 1.040 347 T CA 1.484 63.610 62.100 0.043 0.000 1.141 347 T CB -0.175 68.700 68.868 0.011 0.000 0.868 347 T HN 0.467 nan 8.240 nan 0.000 0.444 348 E N 0.232 120.483 120.200 0.084 0.000 2.051 348 E HA -0.257 4.145 4.350 0.086 0.000 0.192 348 E C 2.093 178.783 176.600 0.150 0.000 0.991 348 E CA 1.382 57.850 56.400 0.113 0.000 0.799 348 E CB -0.118 29.658 29.700 0.127 0.000 0.748 348 E HN 0.666 nan 8.360 nan 0.000 0.449 349 H N 0.593 119.726 119.070 0.104 0.000 2.290 349 H HA -0.089 4.516 4.556 0.081 0.000 0.298 349 H C 1.902 177.331 175.328 0.168 0.000 1.087 349 H CA 2.388 58.514 56.048 0.130 0.000 1.291 349 H CB -0.151 29.665 29.762 0.089 0.000 1.369 349 H HN 0.128 nan 8.280 nan 0.000 0.492 350 N N 0.284 118.994 118.700 0.017 0.000 2.120 350 N HA -0.116 4.676 4.740 0.086 0.000 0.188 350 N C 2.164 177.714 175.510 0.067 0.000 1.024 350 N CA 1.490 54.575 53.050 0.058 0.000 0.852 350 N CB -0.205 38.418 38.487 0.227 0.000 1.003 350 N HN 0.469 nan 8.380 nan 0.000 0.424 351 I N 0.842 121.432 120.570 0.032 0.000 2.315 351 I HA -0.194 4.028 4.170 0.086 0.000 0.248 351 I C 2.190 178.355 176.117 0.081 0.000 1.117 351 I CA 0.776 62.099 61.300 0.039 0.000 1.404 351 I CB -0.236 37.802 38.000 0.062 0.000 1.071 351 I HN 0.056 nan 8.210 nan 0.000 0.419 352 A N 0.556 123.416 122.820 0.065 0.000 1.930 352 A HA -0.241 4.131 4.320 0.086 0.000 0.217 352 A C 2.210 179.818 177.584 0.039 0.000 1.175 352 A CA 1.216 53.298 52.037 0.075 0.000 0.627 352 A CB -0.876 18.186 19.000 0.103 0.000 0.815 352 A HN 0.451 nan 8.150 nan 0.000 0.443 353 F N -0.812 119.014 119.950 -0.207 0.000 2.102 353 F HA -0.185 4.391 4.527 0.082 0.000 0.298 353 F C 2.092 177.740 175.800 -0.253 0.000 1.105 353 F CA 1.780 59.606 58.000 -0.290 0.000 1.239 353 F CB -0.346 38.372 39.000 -0.470 0.000 0.991 353 F HN 0.293 nan 8.300 nan 0.000 0.474 354 Y N 0.810 120.967 120.300 -0.238 0.000 2.165 354 Y HA -0.275 4.327 4.550 0.085 0.000 0.286 354 Y C 2.632 178.361 175.900 -0.286 0.000 1.155 354 Y CA 1.876 59.714 58.100 -0.437 0.000 1.164 354 Y CB -0.809 37.194 38.460 -0.761 0.000 0.978 354 Y HN 0.117 nan 8.280 nan 0.000 0.513 355 Q N 0.055 119.871 119.800 0.026 0.000 2.124 355 Q HA -0.224 4.168 4.340 0.086 0.000 0.202 355 Q C 2.120 178.116 176.000 -0.006 0.000 0.977 355 Q CA 1.489 57.327 55.803 0.058 0.000 0.850 355 Q CB -0.472 28.331 28.738 0.109 0.000 0.901 355 Q HN 0.637 nan 8.270 nan 0.000 0.429 356 Q N 0.093 119.865 119.800 -0.047 0.000 2.119 356 Q HA -0.123 4.269 4.340 0.086 0.000 0.201 356 Q C 2.110 178.095 176.000 -0.024 0.000 0.972 356 Q CA 0.800 56.604 55.803 0.002 0.000 0.847 356 Q CB -0.126 28.663 28.738 0.086 0.000 0.903 356 Q HN 0.202 nan 8.270 nan 0.000 0.433 357 L N 0.089 121.192 121.223 -0.201 0.000 2.017 357 L HA -0.196 4.195 4.340 0.086 0.000 0.208 357 L C 1.962 178.745 176.870 -0.144 0.000 1.073 357 L CA 1.742 56.488 54.840 -0.157 0.000 0.745 357 L CB -0.328 41.430 42.059 -0.501 0.000 0.894 357 L HN 0.219 nan 8.230 nan 0.000 0.432 358 M N -1.004 118.520 119.600 -0.127 0.000 2.159 358 M HA -0.170 4.362 4.480 0.086 0.000 0.263 358 M C 2.331 178.577 176.300 -0.090 0.000 1.063 358 M CA 1.541 56.799 55.300 -0.070 0.000 1.110 358 M CB -1.458 31.163 32.600 0.036 0.000 1.374 358 M HN 0.403 nan 8.290 nan 0.000 0.411 359 Q N 0.984 120.739 119.800 -0.074 0.000 2.084 359 Q HA -0.099 4.293 4.340 0.086 0.000 0.202 359 Q C 1.891 177.789 176.000 -0.169 0.000 0.978 359 Q CA 1.774 57.528 55.803 -0.083 0.000 0.844 359 Q CB -0.087 28.630 28.738 -0.036 0.000 0.898 359 Q HN 0.464 nan 8.270 nan 0.000 0.426 360 K N -0.282 119.975 120.400 -0.240 0.000 2.097 360 K HA -0.095 4.277 4.320 0.086 0.000 0.206 360 K C 2.072 178.256 176.600 -0.692 0.000 1.049 360 K CA 1.399 57.394 56.287 -0.487 0.000 0.933 360 K CB -0.181 31.961 32.500 -0.597 0.000 0.717 360 K HN 0.282 nan 8.250 nan 0.000 0.442 361 I N 0.830 121.095 120.570 -0.508 0.000 2.142 361 I HA -0.290 3.932 4.170 0.086 0.000 0.240 361 I C 2.452 178.377 176.117 -0.319 0.000 1.078 361 I CA 1.299 62.376 61.300 -0.372 0.000 1.343 361 I CB -0.271 37.608 38.000 -0.201 0.000 1.046 361 I HN 0.144 nan 8.210 nan 0.000 0.405 362 R N 0.661 121.024 120.500 -0.228 0.000 2.083 362 R HA -0.189 4.203 4.340 0.086 0.000 0.237 362 R C 1.970 178.177 176.300 -0.154 0.000 1.137 362 R CA 1.816 57.816 56.100 -0.167 0.000 0.951 362 R CB -0.486 29.753 30.300 -0.102 0.000 0.851 362 R HN 0.380 nan 8.270 nan 0.000 0.434 363 D N 0.171 120.473 120.400 -0.163 0.000 2.097 363 D HA -0.135 4.557 4.640 0.086 0.000 0.195 363 D C 2.095 178.326 176.300 -0.115 0.000 0.989 363 D CA 1.899 55.821 54.000 -0.130 0.000 0.827 363 D CB -0.321 40.396 40.800 -0.138 0.000 0.966 363 D HN 0.219 nan 8.370 nan 0.000 0.456 364 S N 0.321 115.929 115.700 -0.154 0.000 2.368 364 S HA -0.123 4.399 4.470 0.086 0.000 0.225 364 S C 2.278 176.902 174.600 0.039 0.000 1.030 364 S CA 0.650 58.830 58.200 -0.034 0.000 0.999 364 S CB -0.668 62.530 63.200 -0.004 0.000 0.844 364 S HN 0.255 nan 8.310 nan 0.000 0.459 365 I N 1.912 122.461 120.570 -0.035 0.000 2.202 365 I HA -0.140 4.082 4.170 0.086 0.000 0.242 365 I C 2.790 178.889 176.117 -0.030 0.000 1.091 365 I CA 1.290 62.566 61.300 -0.040 0.000 1.368 365 I CB -0.666 37.217 38.000 -0.196 0.000 1.058 365 I HN 0.289 nan 8.210 nan 0.000 0.410 366 S N 0.233 115.899 115.700 -0.056 0.000 2.402 366 S HA -0.223 4.299 4.470 0.086 0.000 0.233 366 S C 1.673 176.259 174.600 -0.022 0.000 1.030 366 S CA 1.468 59.642 58.200 -0.044 0.000 1.003 366 S CB -0.322 62.846 63.200 -0.053 0.000 0.813 366 S HN 0.501 nan 8.310 nan 0.000 0.477 367 E N -0.271 119.921 120.200 -0.012 0.000 2.474 367 E HA 0.254 4.655 4.350 0.086 0.000 0.195 367 E C 0.979 177.593 176.600 0.022 0.000 1.039 367 E CA 0.158 56.558 56.400 0.001 0.000 0.881 367 E CB 0.264 29.962 29.700 -0.004 0.000 0.970 367 E HN 0.486 nan 8.360 nan 0.000 0.486 368 G N 2.973 111.796 108.800 0.038 0.000 2.221 368 G HA2 -0.336 3.676 3.960 0.086 0.000 0.265 368 G HA3 -0.336 3.676 3.960 0.086 0.000 0.265 368 G C 0.466 175.413 174.900 0.079 0.000 1.041 368 G CA 0.690 45.825 45.100 0.059 0.000 0.807 368 G HN 0.413 nan 8.290 nan 0.000 0.502 369 R N -1.588 118.976 120.500 0.106 0.000 2.668 369 R HA 0.452 4.844 4.340 0.086 0.000 0.435 369 R C 1.200 177.617 176.300 0.195 0.000 1.059 369 R CA -0.259 55.911 56.100 0.116 0.000 1.073 369 R CB -0.196 30.156 30.300 0.086 0.000 1.401 369 R HN 0.255 nan 8.270 nan 0.000 0.590 370 F N 1.982 121.974 119.950 0.070 0.000 2.206 370 F HA 0.102 4.680 4.527 0.086 0.000 0.298 370 F C 2.385 178.274 175.800 0.148 0.000 1.090 370 F CA 1.741 59.813 58.000 0.120 0.000 1.323 370 F CB -0.201 38.842 39.000 0.071 0.000 1.028 370 F HN 0.296 nan 8.300 nan 0.000 0.492 371 S N -0.064 115.576 115.700 -0.100 0.000 2.382 371 S HA -0.254 4.268 4.470 0.086 0.000 0.228 371 S C 1.988 176.504 174.600 -0.139 0.000 1.027 371 S CA 1.548 59.614 58.200 -0.224 0.000 0.991 371 S CB -0.761 62.387 63.200 -0.087 0.000 0.823 371 S HN 0.461 nan 8.310 nan 0.000 0.469 372 Q N 0.104 119.888 119.800 -0.027 0.000 2.084 372 Q HA -0.053 4.339 4.340 0.086 0.000 0.202 372 Q C 1.642 177.654 176.000 0.019 0.000 0.978 372 Q CA 1.721 57.526 55.803 0.002 0.000 0.844 372 Q CB -0.667 28.096 28.738 0.041 0.000 0.898 372 Q HN 0.680 nan 8.270 nan 0.000 0.426 373 F N 0.332 120.252 119.950 -0.049 0.000 2.126 373 F HA -0.174 4.404 4.527 0.086 0.000 0.299 373 F C 1.872 177.662 175.800 -0.017 0.000 1.096 373 F CA 1.796 59.787 58.000 -0.014 0.000 1.255 373 F CB -0.748 38.280 39.000 0.048 0.000 0.997 373 F HN 0.132 nan 8.300 nan 0.000 0.479 374 A N 0.122 122.748 122.820 -0.324 0.000 1.902 374 A HA -0.189 4.183 4.320 0.086 0.000 0.217 374 A C 2.250 179.734 177.584 -0.166 0.000 1.181 374 A CA 2.540 54.369 52.037 -0.347 0.000 0.623 374 A CB -1.618 17.123 19.000 -0.432 0.000 0.818 374 A HN 0.567 nan 8.150 nan 0.000 0.443 375 Q N -0.231 119.487 119.800 -0.138 0.000 2.079 375 Q HA -0.226 4.166 4.340 0.086 0.000 0.200 375 Q C 1.739 177.704 176.000 -0.058 0.000 0.974 375 Q CA 1.909 57.674 55.803 -0.064 0.000 0.840 375 Q CB -0.935 27.773 28.738 -0.050 0.000 0.898 375 Q HN 0.726 nan 8.270 nan 0.000 0.430 376 D N -0.562 119.781 120.400 -0.096 0.000 2.097 376 D HA -0.084 4.608 4.640 0.086 0.000 0.195 376 D C 1.591 177.828 176.300 -0.106 0.000 0.989 376 D CA 1.332 55.281 54.000 -0.086 0.000 0.827 376 D CB -0.522 40.232 40.800 -0.076 0.000 0.966 376 D HN 0.562 nan 8.370 nan 0.000 0.456 377 F N 1.806 121.521 119.950 -0.391 0.000 2.069 377 F HA -0.149 4.429 4.527 0.085 0.000 0.298 377 F C 2.320 178.082 175.800 -0.064 0.000 1.113 377 F CA 1.512 59.311 58.000 -0.335 0.000 1.214 377 F CB -0.097 38.501 39.000 -0.670 0.000 0.978 377 F HN -0.221 nan 8.300 nan 0.000 0.474 378 R N 0.165 120.583 120.500 -0.136 0.000 2.092 378 R HA -0.076 4.316 4.340 0.086 0.000 0.231 378 R C 2.516 178.886 176.300 0.116 0.000 1.119 378 R CA 1.148 57.262 56.100 0.024 0.000 0.970 378 R CB -0.817 29.631 30.300 0.246 0.000 0.864 378 R HN 0.429 nan 8.270 nan 0.000 0.440 379 A N 0.885 123.727 122.820 0.037 0.000 1.940 379 A HA -0.184 4.187 4.320 0.086 0.000 0.219 379 A C 2.113 179.708 177.584 0.019 0.000 1.176 379 A CA 1.258 53.321 52.037 0.043 0.000 0.631 379 A CB -0.372 18.635 19.000 0.011 0.000 0.814 379 A HN 0.141 nan 8.150 nan 0.000 0.446 380 R N -2.438 118.036 120.500 -0.043 0.000 2.090 380 R HA -0.031 4.360 4.340 0.086 0.000 0.219 380 R C 2.006 178.254 176.300 -0.088 0.000 1.100 380 R CA 1.235 57.314 56.100 -0.036 0.000 0.991 380 R CB -0.430 29.869 30.300 -0.003 0.000 0.893 380 R HN 0.606 nan 8.270 nan 0.000 0.443 381 Y N -0.131 119.908 120.300 -0.436 0.000 2.274 381 Y HA -0.155 4.446 4.550 0.085 0.000 0.290 381 Y C 0.894 176.418 175.900 -0.626 0.000 1.145 381 Y CA 1.581 59.291 58.100 -0.649 0.000 1.203 381 Y CB 0.052 37.746 38.460 -1.278 0.000 0.984 381 Y HN -0.039 nan 8.280 nan 0.000 0.533 382 F N -0.515 119.400 119.950 -0.058 0.000 2.639 382 F HA 0.432 5.012 4.527 0.088 0.000 0.302 382 F C 1.360 177.126 175.800 -0.058 0.000 1.097 382 F CA -0.240 57.726 58.000 -0.056 0.000 1.294 382 F CB -0.941 38.057 39.000 -0.004 0.000 1.027 382 F HN -0.023 nan 8.300 nan 0.000 0.550 383 A N 0.000 122.854 122.820 0.057 0.000 2.254 383 A HA 0.000 4.372 4.320 0.086 0.000 0.244 383 A CA 0.000 52.057 52.037 0.034 0.000 0.836 383 A CB 0.000 19.003 19.000 0.004 0.000 0.831 383 A HN 0.000 nan 8.150 nan 0.000 0.486