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 2pwv_1_A DATA FIRST_RESID 11 DATA SEQUENCE RPRFSFSIAA REGKARTGTI EMKRGVIRTP AFMPVGTAAT VKALKPETVR DATA SEQUENCE ATGADIILGN TYHLMLRPGA ERIAKLGGLH SFMGWDRPIL TDSGGYQVMS DATA SEQUENCE LXXXXKQSEE GVTFKXXXXX XXXMLSPERS IEIQHLLGSD IVMAFDECTP DATA SEQUENCE YPATPSRAAS SMERSMRWAK RSRDAFDSRK EQAENAALFG IQQGSVFENL DATA SEQUENCE RQQSADALAE IGFDGYAVGG LAVGQGQDEM FRVLDFSVPM LPDDKPHYLM DATA SEQUENCE GVGKPDDIVG AVERGIDMFD CVLPTRSGRN GQAFTWDGPI NIRNARFSED DATA SEQUENCE LKPLDSECHC AVCQKWSRAY IHHLIRAGEI LGAMLMTEHN IAFYQQLMQK DATA SEQUENCE IRDSISEGRF SQFAQDFRAR YFA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 11 R HA 0.000 nan 4.340 nan 0.000 0.208 11 R C 0.000 176.309 176.300 0.015 0.000 0.893 11 R CA 0.000 56.100 56.100 -0.001 0.000 0.921 11 R CB 0.000 30.297 30.300 -0.006 0.000 0.687 12 P HA 0.061 nan 4.420 nan 0.000 0.272 12 P C -0.021 177.327 177.300 0.079 0.000 1.240 12 P CA -0.337 62.792 63.100 0.050 0.000 0.791 12 P CB 0.833 32.563 31.700 0.051 0.000 0.978 13 R N 0.291 120.861 120.500 0.116 0.000 2.103 13 R HA -0.104 4.289 4.340 0.087 0.000 0.242 13 R C -0.204 176.265 176.300 0.281 0.000 1.142 13 R CA 1.315 57.517 56.100 0.169 0.000 0.960 13 R CB -0.134 30.271 30.300 0.175 0.000 0.858 13 R HN 0.544 nan 8.270 nan 0.000 0.439 14 F N -0.598 119.405 119.950 0.089 0.000 2.683 14 F HA 0.261 4.840 4.527 0.086 0.000 0.333 14 F C -1.657 174.210 175.800 0.112 0.000 1.160 14 F CA -0.573 57.493 58.000 0.111 0.000 1.099 14 F CB 1.849 40.931 39.000 0.137 0.000 1.344 14 F HN -0.141 nan 8.300 nan 0.000 0.534 15 S N 6.919 122.388 115.700 -0.384 0.000 2.750 15 S HA 0.524 5.046 4.470 0.087 0.000 0.276 15 S C -1.921 172.490 174.600 -0.314 0.000 1.165 15 S CA -0.364 57.700 58.200 -0.226 0.000 1.047 15 S CB 0.433 63.581 63.200 -0.086 0.000 1.056 15 S HN 0.570 nan 8.310 nan 0.000 0.481 16 F N 4.799 124.512 119.950 -0.396 0.000 2.415 16 F HA 0.747 5.326 4.527 0.086 0.000 0.348 16 F C -0.136 175.595 175.800 -0.114 0.000 1.119 16 F CA -0.455 57.391 58.000 -0.257 0.000 1.069 16 F CB 1.606 40.519 39.000 -0.145 0.000 1.124 16 F HN 0.476 nan 8.300 nan 0.000 0.472 17 S N 7.025 122.384 115.700 -0.567 0.000 2.594 17 S HA 0.662 5.184 4.470 0.087 0.000 0.296 17 S C -0.890 173.313 174.600 -0.662 0.000 1.124 17 S CA -0.639 57.242 58.200 -0.532 0.000 1.011 17 S CB 0.618 63.665 63.200 -0.254 0.000 1.016 17 S HN 0.563 nan 8.310 nan 0.000 0.485 18 I N 4.635 124.849 120.570 -0.593 0.000 2.315 18 I HA 0.395 4.617 4.170 0.087 0.000 0.291 18 I C 1.094 177.073 176.117 -0.229 0.000 1.006 18 I CA -0.376 60.670 61.300 -0.425 0.000 1.265 18 I CB 1.596 39.379 38.000 -0.361 0.000 1.387 18 I HN 0.848 nan 8.210 nan 0.000 0.475 19 A N 5.250 127.969 122.820 -0.169 0.000 2.044 19 A HA 0.693 5.065 4.320 0.087 0.000 0.213 19 A C 0.897 178.430 177.584 -0.085 0.000 1.169 19 A CA 0.774 52.743 52.037 -0.113 0.000 0.724 19 A CB 0.185 19.129 19.000 -0.095 0.000 0.840 19 A HN 0.745 nan 8.150 nan 0.000 0.463 20 A N -1.062 121.708 122.820 -0.083 0.000 2.608 20 A HA 0.743 5.115 4.320 0.087 0.000 0.292 20 A C -0.740 176.814 177.584 -0.049 0.000 1.066 20 A CA -0.673 51.330 52.037 -0.057 0.000 0.676 20 A CB 1.060 20.031 19.000 -0.048 0.000 1.277 20 A HN 0.237 nan 8.150 nan 0.000 0.413 21 R N 0.051 120.535 120.500 -0.025 0.000 2.771 21 R HA 0.711 5.103 4.340 0.087 0.000 0.274 21 R C -1.427 174.887 176.300 0.024 0.000 0.987 21 R CA -0.606 55.491 56.100 -0.005 0.000 0.908 21 R CB 2.497 32.798 30.300 0.001 0.000 1.213 21 R HN 0.804 nan 8.270 nan 0.000 0.468 22 E N 0.927 121.159 120.200 0.054 0.000 2.334 22 E HA 0.292 4.694 4.350 0.087 0.000 0.280 22 E C -0.087 176.583 176.600 0.117 0.000 0.899 22 E CA 0.174 56.631 56.400 0.095 0.000 0.813 22 E CB 1.193 30.982 29.700 0.149 0.000 1.318 22 E HN 0.803 nan 8.360 nan 0.000 0.399 23 G N 4.503 113.353 108.800 0.084 0.000 2.611 23 G HA2 -0.399 3.613 3.960 0.087 0.000 0.301 23 G HA3 -0.399 3.613 3.960 0.087 0.000 0.301 23 G C 0.631 175.578 174.900 0.078 0.000 1.233 23 G CA 0.556 45.703 45.100 0.078 0.000 0.993 23 G HN 0.584 nan 8.290 nan 0.000 0.553 24 K N 1.413 121.865 120.400 0.087 0.000 2.459 24 K HA 0.459 4.832 4.320 0.087 0.000 0.193 24 K C 1.362 178.018 176.600 0.093 0.000 1.030 24 K CA 0.525 56.862 56.287 0.083 0.000 1.026 24 K CB 0.106 32.648 32.500 0.071 0.000 0.809 24 K HN 0.748 nan 8.250 nan 0.000 0.504 25 A N 1.729 124.613 122.820 0.107 0.000 2.340 25 A HA 0.452 4.824 4.320 0.087 0.000 0.268 25 A C -0.397 177.189 177.584 0.003 0.000 1.100 25 A CA -0.289 51.780 52.037 0.054 0.000 0.803 25 A CB 0.399 19.426 19.000 0.045 0.000 1.043 25 A HN 0.162 nan 8.150 nan 0.000 0.488 26 R N -0.135 120.346 120.500 -0.031 0.000 2.725 26 R HA 0.710 5.102 4.340 0.087 0.000 0.277 26 R C -0.773 175.496 176.300 -0.051 0.000 0.987 26 R CA -0.384 55.702 56.100 -0.025 0.000 0.901 26 R CB 2.178 32.495 30.300 0.028 0.000 1.207 26 R HN 0.683 nan 8.270 nan 0.000 0.463 27 T N 0.146 114.663 114.554 -0.062 0.000 2.893 27 T HA 0.835 5.237 4.350 0.087 0.000 0.293 27 T C -0.565 174.096 174.700 -0.065 0.000 1.027 27 T CA -0.008 62.057 62.100 -0.059 0.000 0.988 27 T CB 1.448 70.258 68.868 -0.096 0.000 1.043 27 T HN 0.769 nan 8.240 nan 0.000 0.461 28 G N 1.923 110.703 108.800 -0.033 0.000 2.450 28 G HA2 0.615 4.627 3.960 0.087 0.000 0.273 28 G HA3 0.615 4.627 3.960 0.087 0.000 0.273 28 G C -0.888 174.013 174.900 0.001 0.000 1.221 28 G CA 0.038 45.092 45.100 -0.076 0.000 0.900 28 G HN 1.143 nan 8.290 nan 0.000 0.483 29 T N -1.732 112.814 114.554 -0.014 0.000 2.900 29 T HA 0.714 5.116 4.350 0.087 0.000 0.303 29 T C -0.964 173.800 174.700 0.107 0.000 1.142 29 T CA -0.573 61.550 62.100 0.039 0.000 1.007 29 T CB 1.938 70.793 68.868 -0.022 0.000 1.156 29 T HN 0.621 nan 8.240 nan 0.000 0.490 30 I N 1.824 122.440 120.570 0.076 0.000 2.355 30 I HA 0.338 4.561 4.170 0.087 0.000 0.288 30 I C 0.093 176.156 176.117 -0.090 0.000 0.999 30 I CA -0.690 60.581 61.300 -0.047 0.000 1.163 30 I CB 1.431 39.394 38.000 -0.063 0.000 1.316 30 I HN 0.642 nan 8.210 nan 0.000 0.454 31 E N 7.757 127.870 120.200 -0.145 0.000 2.197 31 E HA 0.613 5.015 4.350 0.087 0.000 0.281 31 E C -0.749 175.804 176.600 -0.078 0.000 0.995 31 E CA -0.430 55.917 56.400 -0.087 0.000 0.808 31 E CB 1.807 31.467 29.700 -0.067 0.000 1.093 31 E HN 0.484 nan 8.360 nan 0.000 0.394 32 M N 1.515 121.110 119.600 -0.008 0.000 2.631 32 M HA 0.296 4.828 4.480 0.087 0.000 0.288 32 M C 0.757 177.076 176.300 0.032 0.000 1.260 32 M CA -0.972 54.359 55.300 0.052 0.000 0.842 32 M CB 1.951 34.609 32.600 0.096 0.000 1.743 32 M HN 0.236 nan 8.290 nan 0.000 0.461 33 K N 0.514 120.938 120.400 0.041 0.000 2.103 33 K HA -0.070 4.302 4.320 0.087 0.000 0.207 33 K C 1.383 177.970 176.600 -0.021 0.000 1.048 33 K CA 1.426 57.719 56.287 0.009 0.000 0.930 33 K CB -0.033 32.474 32.500 0.010 0.000 0.716 33 K HN 0.535 nan 8.250 nan 0.000 0.444 34 R N 0.203 120.689 120.500 -0.024 0.000 2.310 34 R HA 0.055 4.447 4.340 0.087 0.000 0.202 34 R C 0.653 176.925 176.300 -0.047 0.000 0.933 34 R CA 0.324 56.388 56.100 -0.060 0.000 1.054 34 R CB 0.552 30.803 30.300 -0.082 0.000 0.985 34 R HN 0.255 nan 8.270 nan 0.000 0.489 35 G N -0.471 108.317 108.800 -0.021 0.000 2.369 35 G HA2 -0.046 3.966 3.960 0.087 0.000 0.307 35 G HA3 -0.046 3.966 3.960 0.087 0.000 0.307 35 G C -1.410 173.488 174.900 -0.004 0.000 1.327 35 G CA -1.049 44.037 45.100 -0.023 0.000 0.963 35 G HN -0.079 nan 8.290 nan 0.000 0.590 36 V N 0.344 120.254 119.914 -0.006 0.000 2.481 36 V HA 0.624 4.796 4.120 0.087 0.000 0.286 36 V C 0.393 176.499 176.094 0.020 0.000 1.042 36 V CA -0.457 61.843 62.300 -0.002 0.000 0.928 36 V CB 1.336 33.152 31.823 -0.011 0.000 0.986 36 V HN 0.610 nan 8.190 nan 0.000 0.462 37 I N 4.960 125.546 120.570 0.026 0.000 2.354 37 I HA 0.449 4.671 4.170 0.087 0.000 0.286 37 I C 0.369 176.513 176.117 0.045 0.000 1.007 37 I CA -0.419 60.907 61.300 0.044 0.000 1.167 37 I CB 1.048 39.074 38.000 0.043 0.000 1.320 37 I HN 0.529 nan 8.210 nan 0.000 0.458 38 R N 3.934 124.461 120.500 0.045 0.000 2.438 38 R HA 0.426 4.818 4.340 0.087 0.000 0.287 38 R C 0.056 176.391 176.300 0.058 0.000 1.077 38 R CA -0.273 55.851 56.100 0.040 0.000 1.034 38 R CB 0.845 31.159 30.300 0.024 0.000 0.993 38 R HN 0.652 nan 8.270 nan 0.000 0.459 39 T N 0.122 114.716 114.554 0.067 0.000 2.908 39 T HA 0.463 4.865 4.350 0.087 0.000 0.290 39 T C -2.667 172.059 174.700 0.044 0.000 1.034 39 T CA -2.870 59.282 62.100 0.085 0.000 1.010 39 T CB 2.146 71.101 68.868 0.145 0.000 1.068 39 T HN 0.198 nan 8.240 nan 0.000 0.481 40 P HA 0.404 nan 4.420 nan 0.000 0.265 40 P C -1.003 176.388 177.300 0.152 0.000 1.193 40 P CA -0.139 63.032 63.100 0.120 0.000 0.765 40 P CB 0.309 32.103 31.700 0.157 0.000 0.823 41 A N 3.548 126.492 122.820 0.206 0.000 2.350 41 A HA 0.657 5.030 4.320 0.087 0.000 0.324 41 A C -1.362 176.418 177.584 0.327 0.000 1.118 41 A CA -0.502 51.650 52.037 0.192 0.000 0.783 41 A CB 0.491 19.543 19.000 0.086 0.000 1.236 41 A HN 0.460 nan 8.150 nan 0.000 0.457 42 F N 2.685 122.722 119.950 0.146 0.000 2.426 42 F HA 0.642 5.219 4.527 0.083 0.000 0.348 42 F C -0.212 175.630 175.800 0.070 0.000 1.124 42 F CA -0.851 57.239 58.000 0.150 0.000 1.008 42 F CB 1.409 40.489 39.000 0.134 0.000 1.139 42 F HN 0.491 nan 8.300 nan 0.000 0.452 43 M N 8.526 127.621 119.600 -0.841 0.000 2.061 43 M HA 0.352 4.884 4.480 0.087 0.000 0.346 43 M C -2.501 173.329 176.300 -0.784 0.000 1.112 43 M CA -1.853 53.079 55.300 -0.614 0.000 1.021 43 M CB 1.048 33.382 32.600 -0.443 0.000 1.530 43 M HN 0.313 nan 8.290 nan 0.000 0.437 44 P HA 0.062 nan 4.420 nan 0.000 0.266 44 P C -0.703 176.440 177.300 -0.262 0.000 1.195 44 P CA -0.195 62.779 63.100 -0.209 0.000 0.768 44 P CB 0.566 32.191 31.700 -0.125 0.000 0.838 45 V N 3.235 123.043 119.914 -0.177 0.000 2.439 45 V HA 0.587 4.759 4.120 0.087 0.000 0.282 45 V C 0.924 176.925 176.094 -0.155 0.000 1.039 45 V CA -0.054 62.149 62.300 -0.161 0.000 0.913 45 V CB 1.242 33.005 31.823 -0.101 0.000 0.983 45 V HN 0.733 nan 8.190 nan 0.000 0.460 46 G N 1.550 110.247 108.800 -0.172 0.000 2.744 46 G HA2 0.433 4.445 3.960 0.087 0.000 0.309 46 G HA3 0.433 4.445 3.960 0.087 0.000 0.309 46 G C 0.584 175.402 174.900 -0.137 0.000 1.328 46 G CA 0.429 45.433 45.100 -0.160 0.000 1.034 46 G HN 0.785 nan 8.290 nan 0.000 0.518 47 T N 0.115 114.576 114.554 -0.155 0.000 2.939 47 T HA 0.247 4.649 4.350 0.087 0.000 0.254 47 T C 1.529 176.134 174.700 -0.158 0.000 1.041 47 T CA 1.301 63.261 62.100 -0.232 0.000 1.142 47 T CB 0.156 68.741 68.868 -0.472 0.000 0.874 47 T HN 0.756 nan 8.240 nan 0.000 0.452 48 A N 0.336 123.100 122.820 -0.095 0.000 3.232 48 A HA 0.815 5.187 4.320 0.087 0.000 0.312 48 A C 1.073 178.675 177.584 0.029 0.000 1.185 48 A CA 0.127 52.161 52.037 -0.005 0.000 1.011 48 A CB -1.147 17.859 19.000 0.011 0.000 1.096 48 A HN 1.579 nan 8.150 nan 0.000 0.543 49 A N -0.472 122.366 122.820 0.030 0.000 2.860 49 A HA -0.097 4.275 4.320 0.087 0.000 0.267 49 A C 0.628 178.201 177.584 -0.018 0.000 1.421 49 A CA 1.515 53.585 52.037 0.055 0.000 0.831 49 A CB -2.212 16.923 19.000 0.225 0.000 1.041 49 A HN 2.087 nan 8.150 nan 0.000 0.623 50 T N -1.301 113.220 114.554 -0.055 0.000 3.041 50 T HA 0.494 4.896 4.350 0.087 0.000 0.321 50 T C -0.532 174.110 174.700 -0.097 0.000 1.184 50 T CA 0.262 62.319 62.100 -0.073 0.000 1.050 50 T CB 1.385 70.217 68.868 -0.060 0.000 1.159 50 T HN 1.132 nan 8.240 nan 0.000 0.469 51 V N 6.402 126.248 119.914 -0.114 0.000 2.397 51 V HA 0.256 4.428 4.120 0.087 0.000 0.262 51 V C 0.908 176.959 176.094 -0.071 0.000 1.047 51 V CA -0.336 61.897 62.300 -0.112 0.000 1.003 51 V CB 0.002 31.741 31.823 -0.141 0.000 1.037 51 V HN 0.789 nan 8.190 nan 0.000 0.480 52 K N 4.343 124.705 120.400 -0.064 0.000 2.491 52 K HA 0.225 4.597 4.320 0.087 0.000 0.279 52 K C 1.169 177.746 176.600 -0.039 0.000 1.026 52 K CA 0.781 57.038 56.287 -0.049 0.000 1.070 52 K CB 0.198 32.670 32.500 -0.046 0.000 0.887 52 K HN 1.058 nan 8.250 nan 0.000 0.481 53 A N 2.383 125.182 122.820 -0.036 0.000 2.979 53 A HA -0.199 4.173 4.320 0.087 0.000 0.260 53 A C -0.197 177.375 177.584 -0.020 0.000 1.282 53 A CA 0.890 52.908 52.037 -0.032 0.000 0.971 53 A CB -2.073 16.904 19.000 -0.038 0.000 1.124 53 A HN 0.570 nan 8.150 nan 0.000 0.826 54 L N -0.737 120.476 121.223 -0.016 0.000 2.386 54 L HA 0.442 4.834 4.340 0.087 0.000 0.271 54 L C 0.400 177.277 176.870 0.012 0.000 0.993 54 L CA -0.885 53.958 54.840 0.004 0.000 0.819 54 L CB 1.843 43.908 42.059 0.011 0.000 1.294 54 L HN 0.220 nan 8.230 nan 0.000 0.414 55 K N 2.793 123.212 120.400 0.032 0.000 2.436 55 K HA 0.086 4.458 4.320 0.087 0.000 0.275 55 K C -1.594 175.061 176.600 0.092 0.000 0.999 55 K CA -1.362 54.955 56.287 0.049 0.000 0.980 55 K CB 0.851 33.382 32.500 0.051 0.000 0.919 55 K HN 0.245 nan 8.250 nan 0.000 0.484 56 P HA -0.295 nan 4.420 nan 0.000 0.216 56 P C 0.977 178.450 177.300 0.289 0.000 1.154 56 P CA 1.554 64.817 63.100 0.271 0.000 0.865 56 P CB 0.098 31.974 31.700 0.294 0.000 0.789 57 E N -1.390 118.910 120.200 0.168 0.000 2.106 57 E HA -0.136 4.266 4.350 0.087 0.000 0.192 57 E C 1.430 178.112 176.600 0.136 0.000 0.984 57 E CA 1.518 57.993 56.400 0.126 0.000 0.806 57 E CB -1.414 28.331 29.700 0.076 0.000 0.750 57 E HN 0.141 nan 8.360 nan 0.000 0.458 58 T N 1.368 115.999 114.554 0.128 0.000 2.737 58 T HA -0.094 4.308 4.350 0.087 0.000 0.265 58 T C 2.113 176.897 174.700 0.140 0.000 1.038 58 T CA 1.423 63.595 62.100 0.120 0.000 1.144 58 T CB -0.280 68.645 68.868 0.096 0.000 0.866 58 T HN 0.040 nan 8.240 nan 0.000 0.434 59 V N 1.956 121.964 119.914 0.158 0.000 2.282 59 V HA -0.238 3.935 4.120 0.087 0.000 0.249 59 V C 2.664 178.918 176.094 0.266 0.000 1.057 59 V CA 1.965 64.364 62.300 0.165 0.000 1.032 59 V CB -0.609 31.268 31.823 0.089 0.000 0.645 59 V HN 0.272 nan 8.190 nan 0.000 0.447 60 R N 1.023 121.749 120.500 0.376 0.000 2.096 60 R HA -0.059 4.334 4.340 0.087 0.000 0.235 60 R C 2.109 178.510 176.300 0.168 0.000 1.127 60 R CA 1.900 58.178 56.100 0.295 0.000 0.968 60 R CB -1.058 29.328 30.300 0.144 0.000 0.861 60 R HN 0.455 nan 8.270 nan 0.000 0.440 61 A N -0.415 122.489 122.820 0.141 0.000 1.972 61 A HA -0.134 4.238 4.320 0.087 0.000 0.219 61 A C 2.098 179.751 177.584 0.115 0.000 1.169 61 A CA 1.934 54.037 52.037 0.110 0.000 0.635 61 A CB -1.154 17.909 19.000 0.105 0.000 0.810 61 A HN 0.632 nan 8.150 nan 0.000 0.446 62 T N -4.179 110.452 114.554 0.128 0.000 3.007 62 T HA 0.285 4.687 4.350 0.087 0.000 0.270 62 T C 1.446 176.215 174.700 0.116 0.000 1.107 62 T CA 1.558 63.731 62.100 0.121 0.000 1.118 62 T CB -0.148 68.789 68.868 0.117 0.000 0.889 62 T HN 1.638 nan 8.240 nan 0.000 0.506 63 G N 0.560 109.436 108.800 0.126 0.000 2.205 63 G HA2 0.137 4.149 3.960 0.087 0.000 0.180 63 G HA3 0.137 4.149 3.960 0.087 0.000 0.180 63 G C 0.226 175.212 174.900 0.144 0.000 1.004 63 G CA -0.177 44.992 45.100 0.115 0.000 0.670 63 G HN 1.060 nan 8.290 nan 0.000 0.496 64 A N 0.463 123.396 122.820 0.189 0.000 2.488 64 A HA 0.539 4.911 4.320 0.087 0.000 0.249 64 A C 1.012 178.782 177.584 0.309 0.000 1.083 64 A CA 0.940 53.110 52.037 0.221 0.000 0.768 64 A CB 0.310 19.417 19.000 0.178 0.000 1.017 64 A HN 0.146 nan 8.150 nan 0.000 0.496 65 D N 0.562 121.109 120.400 0.245 0.000 2.355 65 D HA 0.208 4.900 4.640 0.087 0.000 0.206 65 D C 0.207 176.715 176.300 0.346 0.000 1.010 65 D CA 0.958 55.096 54.000 0.229 0.000 0.875 65 D CB 0.425 41.300 40.800 0.125 0.000 0.966 65 D HN 0.578 nan 8.370 nan 0.000 0.512 66 I N 0.422 121.175 120.570 0.306 0.000 2.842 66 I HA 0.272 4.494 4.170 0.087 0.000 0.297 66 I C -1.761 174.311 176.117 -0.075 0.000 1.380 66 I CA -0.922 60.509 61.300 0.218 0.000 1.018 66 I CB 2.169 40.218 38.000 0.080 0.000 1.311 66 I HN -0.208 nan 8.210 nan 0.000 0.439 67 I N 4.335 124.745 120.570 -0.267 0.000 2.957 67 I HA 0.620 4.843 4.170 0.087 0.000 0.310 67 I C -1.840 174.082 176.117 -0.325 0.000 1.063 67 I CA -0.952 60.073 61.300 -0.459 0.000 1.033 67 I CB 2.101 39.590 38.000 -0.851 0.000 1.230 67 I HN 0.650 nan 8.210 nan 0.000 0.447 68 L N 2.780 123.824 121.223 -0.298 0.000 2.317 68 L HA 0.883 5.275 4.340 0.087 0.000 0.281 68 L C -0.066 176.698 176.870 -0.176 0.000 1.024 68 L CA -0.075 54.639 54.840 -0.210 0.000 0.810 68 L CB 1.381 43.332 42.059 -0.181 0.000 1.240 68 L HN 0.921 nan 8.230 nan 0.000 0.427 69 G N 2.628 111.355 108.800 -0.122 0.000 2.511 69 G HA2 0.400 4.412 3.960 0.087 0.000 0.318 69 G HA3 0.400 4.412 3.960 0.087 0.000 0.318 69 G C -1.476 173.419 174.900 -0.008 0.000 1.210 69 G CA -0.763 44.289 45.100 -0.080 0.000 0.969 69 G HN 0.714 nan 8.290 nan 0.000 0.484 70 N N -0.180 118.547 118.700 0.044 0.000 2.417 70 N HA 0.331 5.124 4.740 0.087 0.000 0.274 70 N C 1.066 176.680 175.510 0.173 0.000 0.987 70 N CA -0.504 52.635 53.050 0.148 0.000 0.912 70 N CB 1.989 40.626 38.487 0.251 0.000 1.177 70 N HN 0.368 nan 8.380 nan 0.000 0.490 71 T N 0.813 115.469 114.554 0.169 0.000 2.674 71 T HA -0.228 4.174 4.350 0.087 0.000 0.265 71 T C 1.549 176.349 174.700 0.167 0.000 1.039 71 T CA 1.396 63.584 62.100 0.147 0.000 1.150 71 T CB -0.437 68.523 68.868 0.153 0.000 0.864 71 T HN 0.572 nan 8.240 nan 0.000 0.427 72 Y N 1.427 121.778 120.300 0.084 0.000 2.081 72 Y HA -0.295 4.307 4.550 0.086 0.000 0.280 72 Y C 2.346 178.243 175.900 -0.005 0.000 1.163 72 Y CA 1.993 60.096 58.100 0.005 0.000 1.135 72 Y CB -0.708 37.684 38.460 -0.113 0.000 0.970 72 Y HN 0.442 nan 8.280 nan 0.000 0.498 73 H N -0.539 118.507 119.070 -0.040 0.000 2.299 73 H HA -0.100 4.510 4.556 0.089 0.000 0.302 73 H C 2.275 177.542 175.328 -0.101 0.000 1.078 73 H CA 2.178 58.153 56.048 -0.121 0.000 1.323 73 H CB -0.472 29.312 29.762 0.037 0.000 1.381 73 H HN 0.318 nan 8.280 nan 0.000 0.498 74 L N 0.491 121.770 121.223 0.093 0.000 2.141 74 L HA -0.168 4.224 4.340 0.087 0.000 0.209 74 L C 2.501 179.358 176.870 -0.022 0.000 1.094 74 L CA 1.159 56.019 54.840 0.033 0.000 0.763 74 L CB -0.446 41.630 42.059 0.028 0.000 0.908 74 L HN 0.458 nan 8.230 nan 0.000 0.437 75 M N -1.150 118.432 119.600 -0.030 0.000 2.159 75 M HA -0.179 4.353 4.480 0.087 0.000 0.263 75 M C 2.009 178.268 176.300 -0.068 0.000 1.063 75 M CA 1.889 57.166 55.300 -0.039 0.000 1.110 75 M CB -0.485 32.116 32.600 0.001 0.000 1.374 75 M HN 0.143 nan 8.290 nan 0.000 0.411 76 L N -0.208 120.945 121.223 -0.117 0.000 2.049 76 L HA 0.098 4.490 4.340 0.087 0.000 0.203 76 L C 1.552 178.379 176.870 -0.071 0.000 1.074 76 L CA 0.848 55.614 54.840 -0.125 0.000 0.749 76 L CB -0.173 41.750 42.059 -0.227 0.000 0.907 76 L HN 0.361 nan 8.230 nan 0.000 0.439 77 R N 0.088 120.561 120.500 -0.044 0.000 2.510 77 R HA 0.230 4.622 4.340 0.087 0.000 0.294 77 R C -2.320 173.992 176.300 0.021 0.000 1.056 77 R CA -1.239 54.858 56.100 -0.005 0.000 0.918 77 R CB 2.022 32.331 30.300 0.015 0.000 1.187 77 R HN -0.216 nan 8.270 nan 0.000 0.437 78 P HA 0.208 nan 4.420 nan 0.000 0.261 78 P C -0.274 176.986 177.300 -0.068 0.000 1.268 78 P CA 0.299 63.388 63.100 -0.019 0.000 0.833 78 P CB 0.792 32.479 31.700 -0.022 0.000 1.231 79 G N -0.051 108.703 108.800 -0.077 0.000 2.906 79 G HA2 0.080 4.092 3.960 0.087 0.000 0.686 79 G HA3 0.080 4.092 3.960 0.087 0.000 0.686 79 G C 0.629 175.464 174.900 -0.109 0.000 1.170 79 G CA -0.437 44.613 45.100 -0.083 0.000 0.775 79 G HN 0.171 nan 8.290 nan 0.000 0.630 80 A N 1.357 124.126 122.820 -0.085 0.000 1.872 80 A HA 0.174 4.547 4.320 0.087 0.000 0.214 80 A C 2.075 179.599 177.584 -0.101 0.000 1.187 80 A CA 2.332 54.317 52.037 -0.087 0.000 0.614 80 A CB -0.371 18.597 19.000 -0.052 0.000 0.826 80 A HN 0.886 nan 8.150 nan 0.000 0.442 81 E N -0.428 119.723 120.200 -0.082 0.000 2.085 81 E HA -0.193 4.209 4.350 0.087 0.000 0.194 81 E C 2.158 178.698 176.600 -0.100 0.000 0.994 81 E CA 1.507 57.860 56.400 -0.078 0.000 0.801 81 E CB -0.233 29.432 29.700 -0.059 0.000 0.743 81 E HN 0.634 nan 8.360 nan 0.000 0.453 82 R N 0.497 120.927 120.500 -0.117 0.000 2.073 82 R HA -0.107 4.286 4.340 0.087 0.000 0.234 82 R C 2.194 178.362 176.300 -0.220 0.000 1.134 82 R CA 1.430 57.444 56.100 -0.143 0.000 0.952 82 R CB -0.334 29.883 30.300 -0.137 0.000 0.850 82 R HN 0.180 nan 8.270 nan 0.000 0.433 83 I N 0.891 121.282 120.570 -0.297 0.000 2.286 83 I HA -0.241 3.981 4.170 0.087 0.000 0.248 83 I C 2.537 178.518 176.117 -0.228 0.000 1.115 83 I CA 1.227 62.282 61.300 -0.408 0.000 1.392 83 I CB -0.372 37.379 38.000 -0.415 0.000 1.065 83 I HN 0.370 nan 8.210 nan 0.000 0.418 84 A N 0.398 123.122 122.820 -0.159 0.000 1.902 84 A HA -0.247 4.125 4.320 0.087 0.000 0.217 84 A C 2.381 179.911 177.584 -0.089 0.000 1.181 84 A CA 1.590 53.556 52.037 -0.118 0.000 0.623 84 A CB -0.482 18.450 19.000 -0.113 0.000 0.818 84 A HN 0.277 nan 8.150 nan 0.000 0.443 85 K N -0.481 119.867 120.400 -0.087 0.000 2.103 85 K HA -0.050 4.322 4.320 0.087 0.000 0.207 85 K C 1.419 177.992 176.600 -0.044 0.000 1.048 85 K CA 1.309 57.561 56.287 -0.059 0.000 0.930 85 K CB -0.277 32.188 32.500 -0.058 0.000 0.716 85 K HN 0.530 nan 8.250 nan 0.000 0.444 86 L N -0.754 120.429 121.223 -0.067 0.000 2.599 86 L HA 0.074 4.466 4.340 0.087 0.000 0.230 86 L C 1.157 178.039 176.870 0.019 0.000 1.141 86 L CA 0.525 55.356 54.840 -0.016 0.000 0.877 86 L CB 0.345 42.390 42.059 -0.023 0.000 1.009 86 L HN 0.486 nan 8.230 nan 0.000 0.447 87 G N -1.052 107.744 108.800 -0.006 0.000 2.229 87 G HA2 0.028 4.040 3.960 0.087 0.000 0.189 87 G HA3 0.028 4.040 3.960 0.087 0.000 0.189 87 G C 0.514 175.433 174.900 0.032 0.000 1.000 87 G CA -0.348 44.765 45.100 0.022 0.000 0.663 87 G HN 0.770 nan 8.290 nan 0.000 0.493 88 G N -1.438 107.363 108.800 0.001 0.000 2.663 88 G HA2 0.201 4.213 3.960 0.087 0.000 0.686 88 G HA3 0.201 4.213 3.960 0.087 0.000 0.686 88 G C 0.439 175.390 174.900 0.084 0.000 1.288 88 G CA -0.032 45.078 45.100 0.018 0.000 0.836 88 G HN 1.489 nan 8.290 nan 0.000 0.584 89 L N 0.260 121.522 121.223 0.066 0.000 2.083 89 L HA 0.088 4.480 4.340 0.087 0.000 0.209 89 L C 2.501 179.443 176.870 0.121 0.000 1.083 89 L CA 3.065 57.949 54.840 0.075 0.000 0.752 89 L CB -0.904 41.132 42.059 -0.038 0.000 0.899 89 L HN 0.747 nan 8.230 nan 0.000 0.433 90 H N -1.699 117.457 119.070 0.144 0.000 2.293 90 H HA -0.129 4.479 4.556 0.085 0.000 0.300 90 H C 2.533 177.947 175.328 0.143 0.000 1.082 90 H CA 1.960 58.104 56.048 0.160 0.000 1.308 90 H CB -0.398 29.431 29.762 0.111 0.000 1.375 90 H HN 0.445 nan 8.280 nan 0.000 0.495 91 S N -0.248 115.602 115.700 0.250 0.000 2.355 91 S HA -0.193 4.329 4.470 0.087 0.000 0.222 91 S C 2.082 176.802 174.600 0.199 0.000 1.031 91 S CA 0.994 59.300 58.200 0.177 0.000 0.993 91 S CB -0.559 62.723 63.200 0.136 0.000 0.859 91 S HN 0.332 nan 8.310 nan 0.000 0.453 92 F N 3.259 123.241 119.950 0.052 0.000 2.043 92 F HA -0.153 4.431 4.527 0.095 0.000 0.297 92 F C 2.302 178.124 175.800 0.038 0.000 1.118 92 F CA 2.421 60.440 58.000 0.033 0.000 1.202 92 F CB -0.599 38.410 39.000 0.017 0.000 0.965 92 F HN 0.440 nan 8.300 nan 0.000 0.482 93 M N -1.536 118.108 119.600 0.073 0.000 2.502 93 M HA 0.378 4.910 4.480 0.087 0.000 0.243 93 M C 1.379 177.706 176.300 0.045 0.000 1.130 93 M CA 1.071 56.354 55.300 -0.029 0.000 1.055 93 M CB -0.013 32.610 32.600 0.038 0.000 1.457 93 M HN 0.251 nan 8.290 nan 0.000 0.488 94 G N 1.185 110.045 108.800 0.100 0.000 2.137 94 G HA2 -0.243 3.769 3.960 0.087 0.000 0.237 94 G HA3 -0.243 3.769 3.960 0.087 0.000 0.237 94 G C -0.674 174.348 174.900 0.204 0.000 1.002 94 G CA 0.159 45.326 45.100 0.112 0.000 0.702 94 G HN 0.753 nan 8.290 nan 0.000 0.515 95 W N 2.056 123.383 121.300 0.046 0.000 2.318 95 W HA 0.511 5.213 4.660 0.069 0.000 0.315 95 W C 0.197 176.823 176.519 0.178 0.000 1.033 95 W CA -0.087 57.299 57.345 0.068 0.000 1.275 95 W CB 1.146 30.618 29.460 0.020 0.000 1.250 95 W HN 0.257 nan 8.180 nan 0.000 0.421 96 D N 3.720 123.980 120.400 -0.233 0.000 2.339 96 D HA 0.059 4.751 4.640 0.087 0.000 0.217 96 D C 0.384 176.520 176.300 -0.273 0.000 1.050 96 D CA 0.158 54.067 54.000 -0.152 0.000 0.856 96 D CB 0.312 41.017 40.800 -0.158 0.000 0.922 96 D HN 0.219 nan 8.370 nan 0.000 0.518 97 R N 0.095 120.240 120.500 -0.592 0.000 2.606 97 R HA 0.488 4.881 4.340 0.087 0.000 0.249 97 R C -2.428 174.020 176.300 0.247 0.000 1.127 97 R CA -2.015 53.886 56.100 -0.331 0.000 1.133 97 R CB 0.289 30.183 30.300 -0.677 0.000 1.243 97 R HN -0.037 nan 8.270 nan 0.000 0.558 98 P HA 0.020 nan 4.420 nan 0.000 0.268 98 P C -0.852 176.732 177.300 0.474 0.000 1.208 98 P CA 0.701 64.014 63.100 0.355 0.000 0.777 98 P CB 0.444 32.261 31.700 0.195 0.000 0.875 99 I N 2.187 122.951 120.570 0.323 0.000 2.499 99 I HA 0.332 4.554 4.170 0.087 0.000 0.288 99 I C -0.391 175.727 176.117 0.002 0.000 1.048 99 I CA -0.881 60.472 61.300 0.089 0.000 1.062 99 I CB 1.911 39.878 38.000 -0.055 0.000 1.238 99 I HN 0.164 nan 8.210 nan 0.000 0.426 100 L N 6.549 127.716 121.223 -0.094 0.000 2.275 100 L HA 0.534 4.926 4.340 0.087 0.000 0.288 100 L C 0.060 176.870 176.870 -0.101 0.000 1.046 100 L CA -0.032 54.718 54.840 -0.151 0.000 0.805 100 L CB 1.177 43.074 42.059 -0.270 0.000 1.193 100 L HN 0.714 nan 8.230 nan 0.000 0.426 101 T N 0.057 114.578 114.554 -0.056 0.000 2.794 101 T HA 0.339 4.742 4.350 0.087 0.000 0.280 101 T C -0.266 174.449 174.700 0.025 0.000 0.987 101 T CA -0.924 61.171 62.100 -0.009 0.000 0.993 101 T CB 1.569 70.449 68.868 0.020 0.000 0.939 101 T HN 0.477 nan 8.240 nan 0.000 0.449 102 D N 1.163 121.594 120.400 0.052 0.000 2.358 102 D HA 0.187 4.879 4.640 0.087 0.000 0.244 102 D C 1.434 177.809 176.300 0.125 0.000 1.163 102 D CA -0.364 53.685 54.000 0.082 0.000 0.945 102 D CB 1.431 42.276 40.800 0.076 0.000 1.152 102 D HN 0.626 nan 8.370 nan 0.000 0.451 103 S N 0.472 116.266 115.700 0.157 0.000 2.496 103 S HA 0.210 4.732 4.470 0.087 0.000 0.224 103 S C 1.532 176.334 174.600 0.337 0.000 0.996 103 S CA 0.734 59.085 58.200 0.251 0.000 0.927 103 S CB 0.341 63.735 63.200 0.323 0.000 0.774 103 S HN 0.831 nan 8.310 nan 0.000 0.524 104 G N 0.874 109.838 108.800 0.274 0.000 2.349 104 G HA2 -0.204 3.808 3.960 0.087 0.000 0.213 104 G HA3 -0.204 3.808 3.960 0.087 0.000 0.213 104 G C 1.077 176.087 174.900 0.184 0.000 1.044 104 G CA -0.037 45.229 45.100 0.276 0.000 0.633 104 G HN 1.018 nan 8.290 nan 0.000 0.506 105 G N -0.290 108.631 108.800 0.202 0.000 2.586 105 G HA2 0.094 4.106 3.960 0.087 0.000 0.215 105 G HA3 0.094 4.106 3.960 0.087 0.000 0.215 105 G C 1.224 176.071 174.900 -0.088 0.000 1.128 105 G CA 1.803 46.873 45.100 -0.051 0.000 0.774 105 G HN 0.729 nan 8.290 nan 0.000 0.543 106 Y N 0.681 120.898 120.300 -0.138 0.000 2.177 106 Y HA 0.028 4.630 4.550 0.087 0.000 0.291 106 Y C 2.916 178.697 175.900 -0.199 0.000 1.117 106 Y CA 1.654 59.673 58.100 -0.135 0.000 1.114 106 Y CB 0.022 38.435 38.460 -0.078 0.000 1.017 106 Y HN 0.218 nan 8.280 nan 0.000 0.505 107 Q N -0.200 119.493 119.800 -0.180 0.000 2.167 107 Q HA -0.110 4.283 4.340 0.087 0.000 0.202 107 Q C 2.323 177.764 176.000 -0.931 0.000 0.970 107 Q CA 1.632 57.148 55.803 -0.478 0.000 0.855 107 Q CB -0.551 27.984 28.738 -0.337 0.000 0.911 107 Q HN 0.390 nan 8.270 nan 0.000 0.438 108 V N 0.227 119.588 119.914 -0.922 0.000 2.287 108 V HA -0.364 3.808 4.120 0.087 0.000 0.248 108 V C 2.588 178.369 176.094 -0.521 0.000 1.053 108 V CA 2.403 64.160 62.300 -0.905 0.000 1.027 108 V CB -1.056 30.347 31.823 -0.700 0.000 0.646 108 V HN 0.619 nan 8.190 nan 0.000 0.447 109 M N -0.263 119.102 119.600 -0.390 0.000 2.358 109 M HA -0.135 4.397 4.480 0.087 0.000 0.264 109 M C 2.238 178.351 176.300 -0.311 0.000 1.064 109 M CA 2.704 57.831 55.300 -0.288 0.000 1.093 109 M CB -1.364 31.084 32.600 -0.254 0.000 1.401 109 M HN 0.673 nan 8.290 nan 0.000 0.440 110 S N -1.323 114.132 115.700 -0.410 0.000 2.545 110 S HA 0.470 4.992 4.470 0.087 0.000 0.232 110 S C 0.740 175.203 174.600 -0.227 0.000 1.070 110 S CA -0.161 57.848 58.200 -0.319 0.000 0.923 110 S CB -0.088 62.867 63.200 -0.407 0.000 0.806 110 S HN 0.526 nan 8.310 nan 0.000 0.506 117 Q N 1.663 121.543 119.800 0.134 0.000 2.340 117 Q HA 0.730 5.122 4.340 0.087 0.000 0.259 117 Q C 0.076 176.176 176.000 0.166 0.000 0.964 117 Q CA 0.151 56.056 55.803 0.170 0.000 0.900 117 Q CB 1.349 30.163 28.738 0.127 0.000 1.228 117 Q HN 0.985 nan 8.270 nan 0.000 0.449 118 S N 1.521 117.362 115.700 0.235 0.000 2.720 118 S HA 0.333 4.855 4.470 0.087 0.000 0.287 118 S C 0.454 175.274 174.600 0.367 0.000 1.168 118 S CA -0.747 57.586 58.200 0.220 0.000 0.832 118 S CB 1.195 64.493 63.200 0.164 0.000 1.166 118 S HN 0.588 nan 8.310 nan 0.000 0.493 119 E N 0.495 120.870 120.200 0.292 0.000 2.204 119 E HA -0.103 4.299 4.350 0.087 0.000 0.195 119 E C 1.491 178.412 176.600 0.536 0.000 0.990 119 E CA 1.553 58.179 56.400 0.377 0.000 0.821 119 E CB -0.157 29.669 29.700 0.211 0.000 0.750 119 E HN 0.561 nan 8.360 nan 0.000 0.477 120 E N -0.715 119.675 120.200 0.316 0.000 2.107 120 E HA 0.095 4.498 4.350 0.087 0.000 0.191 120 E C 1.091 177.703 176.600 0.020 0.000 0.982 120 E CA 1.121 57.618 56.400 0.161 0.000 0.809 120 E CB 0.187 29.943 29.700 0.093 0.000 0.756 120 E HN 0.316 nan 8.360 nan 0.000 0.459 121 G N -0.793 108.077 108.800 0.117 0.000 2.579 121 G HA2 0.160 4.173 3.960 0.087 0.000 0.080 121 G HA3 0.160 4.173 3.960 0.087 0.000 0.080 121 G C -1.433 173.609 174.900 0.237 0.000 1.040 121 G CA -0.034 45.051 45.100 -0.025 0.000 1.118 121 G HN 0.189 nan 8.290 nan 0.000 0.485 122 V N 1.104 121.139 119.914 0.201 0.000 2.851 122 V HA 0.753 4.926 4.120 0.087 0.000 0.307 122 V C -0.524 175.751 176.094 0.301 0.000 1.129 122 V CA 0.609 63.069 62.300 0.266 0.000 0.932 122 V CB 1.851 33.855 31.823 0.301 0.000 1.024 122 V HN 1.802 nan 8.190 nan 0.000 0.426 123 T N 4.207 118.913 114.554 0.252 0.000 2.824 123 T HA 0.861 5.263 4.350 0.087 0.000 0.280 123 T C -0.742 174.135 174.700 0.295 0.000 0.995 123 T CA -0.382 61.837 62.100 0.199 0.000 1.009 123 T CB 1.224 70.132 68.868 0.067 0.000 0.955 123 T HN 1.302 nan 8.240 nan 0.000 0.452 124 F N -1.287 118.697 119.950 0.057 0.000 2.664 124 F HA 0.955 5.534 4.527 0.087 0.000 0.317 124 F C -0.354 175.479 175.800 0.055 0.000 1.108 124 F CA -1.482 56.557 58.000 0.065 0.000 0.957 124 F CB 0.432 39.490 39.000 0.096 0.000 1.365 124 F HN 0.865 nan 8.300 nan 0.000 0.475 135 L N 3.862 125.187 121.223 0.170 0.000 2.438 135 L HA 0.710 5.102 4.340 0.087 0.000 0.270 135 L C -0.298 176.345 176.870 -0.378 0.000 0.972 135 L CA -0.245 54.539 54.840 -0.093 0.000 0.831 135 L CB 2.346 44.395 42.059 -0.017 0.000 1.273 135 L HN 0.890 nan 8.230 nan 0.000 0.405 136 S N 1.539 116.848 115.700 -0.652 0.000 2.671 136 S HA 0.651 5.173 4.470 0.087 0.000 0.299 136 S C -2.440 171.545 174.600 -1.024 0.000 1.116 136 S CA -1.516 56.223 58.200 -0.768 0.000 0.912 136 S CB 2.158 65.123 63.200 -0.392 0.000 1.130 136 S HN 0.250 nan 8.310 nan 0.000 0.501 137 P HA -0.128 nan 4.420 nan 0.000 0.216 137 P C 0.977 178.128 177.300 -0.248 0.000 1.157 137 P CA 1.542 64.435 63.100 -0.344 0.000 0.880 137 P CB -0.038 31.579 31.700 -0.138 0.000 0.791 138 E N -1.034 119.039 120.200 -0.213 0.000 2.051 138 E HA -0.203 4.199 4.350 0.087 0.000 0.192 138 E C 2.174 178.692 176.600 -0.137 0.000 0.991 138 E CA 1.147 57.472 56.400 -0.125 0.000 0.799 138 E CB -0.610 29.032 29.700 -0.096 0.000 0.748 138 E HN 0.011 nan 8.360 nan 0.000 0.449 139 R N 0.379 120.762 120.500 -0.195 0.000 2.073 139 R HA 0.030 4.422 4.340 0.087 0.000 0.229 139 R C 2.302 178.514 176.300 -0.147 0.000 1.120 139 R CA 1.639 57.646 56.100 -0.155 0.000 0.967 139 R CB -0.994 29.205 30.300 -0.167 0.000 0.862 139 R HN 0.137 nan 8.270 nan 0.000 0.436 140 S N -0.035 115.508 115.700 -0.261 0.000 2.359 140 S HA -0.101 4.422 4.470 0.087 0.000 0.223 140 S C 1.846 176.433 174.600 -0.021 0.000 1.039 140 S CA 1.529 59.628 58.200 -0.167 0.000 1.042 140 S CB -0.279 62.762 63.200 -0.265 0.000 0.915 140 S HN 0.322 nan 8.310 nan 0.000 0.439 141 I N 1.628 122.193 120.570 -0.007 0.000 2.286 141 I HA -0.115 4.107 4.170 0.087 0.000 0.248 141 I C 2.545 178.705 176.117 0.073 0.000 1.115 141 I CA 1.448 62.796 61.300 0.079 0.000 1.392 141 I CB -1.490 36.574 38.000 0.106 0.000 1.065 141 I HN 0.536 nan 8.210 nan 0.000 0.418 142 E N 1.233 121.449 120.200 0.027 0.000 2.072 142 E HA -0.183 4.219 4.350 0.087 0.000 0.191 142 E C 2.437 179.083 176.600 0.078 0.000 0.985 142 E CA 0.940 57.373 56.400 0.054 0.000 0.801 142 E CB 0.044 29.749 29.700 0.008 0.000 0.750 142 E HN 0.409 nan 8.360 nan 0.000 0.452 143 I N 1.009 121.599 120.570 0.032 0.000 2.163 143 I HA -0.335 3.888 4.170 0.087 0.000 0.243 143 I C 2.616 178.756 176.117 0.038 0.000 1.085 143 I CA 1.405 62.718 61.300 0.021 0.000 1.347 143 I CB -0.288 37.719 38.000 0.011 0.000 1.044 143 I HN 0.227 nan 8.210 nan 0.000 0.408 144 Q N -0.562 119.280 119.800 0.070 0.000 2.124 144 Q HA -0.280 4.112 4.340 0.087 0.000 0.202 144 Q C 2.160 178.219 176.000 0.098 0.000 0.977 144 Q CA 1.796 57.650 55.803 0.084 0.000 0.850 144 Q CB -0.310 28.495 28.738 0.112 0.000 0.901 144 Q HN 0.554 nan 8.270 nan 0.000 0.429 145 H N 0.793 119.875 119.070 0.020 0.000 2.319 145 H HA -0.105 4.504 4.556 0.088 0.000 0.299 145 H C 1.797 177.123 175.328 -0.003 0.000 1.092 145 H CA 1.625 57.671 56.048 -0.003 0.000 1.302 145 H CB -0.232 29.510 29.762 -0.033 0.000 1.373 145 H HN 0.118 nan 8.280 nan 0.000 0.497 146 L N -0.226 120.913 121.223 -0.140 0.000 2.046 146 L HA -0.175 4.217 4.340 0.087 0.000 0.208 146 L C 2.514 179.287 176.870 -0.161 0.000 1.077 146 L CA 1.077 55.800 54.840 -0.194 0.000 0.747 146 L CB -0.375 41.637 42.059 -0.079 0.000 0.896 146 L HN 0.325 nan 8.230 nan 0.000 0.432 147 L N -0.329 120.841 121.223 -0.089 0.000 2.265 147 L HA -0.066 4.326 4.340 0.087 0.000 0.215 147 L C 1.420 178.278 176.870 -0.021 0.000 1.117 147 L CA 0.764 55.570 54.840 -0.056 0.000 0.782 147 L CB -0.845 41.199 42.059 -0.025 0.000 0.914 147 L HN 0.564 nan 8.230 nan 0.000 0.441 148 G N 0.523 109.301 108.800 -0.036 0.000 2.182 148 G HA2 -0.290 3.722 3.960 0.087 0.000 0.248 148 G HA3 -0.290 3.722 3.960 0.087 0.000 0.248 148 G C 0.349 175.351 174.900 0.169 0.000 1.042 148 G CA 0.436 45.566 45.100 0.049 0.000 0.775 148 G HN 0.382 nan 8.290 nan 0.000 0.501 149 S N -0.783 114.989 115.700 0.119 0.000 2.568 149 S HA 0.299 4.822 4.470 0.087 0.000 0.282 149 S C 1.351 176.052 174.600 0.168 0.000 1.338 149 S CA 0.709 58.989 58.200 0.133 0.000 1.045 149 S CB 0.564 63.814 63.200 0.084 0.000 0.873 149 S HN 0.297 nan 8.310 nan 0.000 0.516 150 D N 2.431 122.931 120.400 0.166 0.000 2.259 150 D HA 0.160 4.852 4.640 0.087 0.000 0.216 150 D C 0.160 176.505 176.300 0.075 0.000 0.961 150 D CA 0.918 55.001 54.000 0.139 0.000 0.878 150 D CB 0.220 41.113 40.800 0.155 0.000 1.009 150 D HN 0.501 nan 8.370 nan 0.000 0.490 151 I N 2.206 122.760 120.570 -0.027 0.000 2.420 151 I HA 0.137 4.359 4.170 0.087 0.000 0.282 151 I C -0.522 175.503 176.117 -0.154 0.000 1.019 151 I CA -0.587 60.589 61.300 -0.206 0.000 1.130 151 I CB 2.461 40.153 38.000 -0.513 0.000 1.262 151 I HN -0.350 nan 8.210 nan 0.000 0.454 152 V N 6.816 126.699 119.914 -0.051 0.000 2.488 152 V HA 0.273 4.445 4.120 0.087 0.000 0.277 152 V C 0.511 176.585 176.094 -0.035 0.000 1.046 152 V CA -0.303 62.019 62.300 0.037 0.000 0.986 152 V CB 1.128 33.093 31.823 0.236 0.000 0.989 152 V HN 0.562 nan 8.190 nan 0.000 0.475 153 M N 3.972 123.581 119.600 0.014 0.000 2.188 153 M HA 0.469 5.001 4.480 0.087 0.000 0.357 153 M C 0.431 176.774 176.300 0.070 0.000 1.204 153 M CA -0.551 54.767 55.300 0.031 0.000 1.095 153 M CB 1.022 33.658 32.600 0.060 0.000 1.604 153 M HN 0.737 nan 8.290 nan 0.000 0.464 154 A N 3.391 126.223 122.820 0.020 0.000 2.555 154 A HA 0.131 4.503 4.320 0.087 0.000 0.233 154 A C -0.444 177.242 177.584 0.170 0.000 1.060 154 A CA -0.028 52.057 52.037 0.080 0.000 0.759 154 A CB -0.128 18.844 19.000 -0.048 0.000 0.995 154 A HN 0.739 nan 8.150 nan 0.000 0.506 155 F N 2.678 122.674 119.950 0.077 0.000 2.424 155 F HA 0.416 4.995 4.527 0.086 0.000 0.356 155 F C 0.135 176.086 175.800 0.252 0.000 1.110 155 F CA -0.342 57.715 58.000 0.095 0.000 1.161 155 F CB 0.628 39.619 39.000 -0.015 0.000 1.115 155 F HN 0.738 nan 8.300 nan 0.000 0.507 156 D N 3.679 123.941 120.400 -0.231 0.000 2.450 156 D HA 0.208 4.900 4.640 0.087 0.000 0.238 156 D C -1.393 174.807 176.300 -0.167 0.000 1.020 156 D CA -0.856 53.107 54.000 -0.060 0.000 1.010 156 D CB 1.287 42.050 40.800 -0.061 0.000 1.342 156 D HN 0.575 nan 8.370 nan 0.000 0.530 157 E N -0.009 120.139 120.200 -0.086 0.000 2.055 157 E HA 0.322 4.724 4.350 0.087 0.000 0.274 157 E C -0.733 175.813 176.600 -0.090 0.000 0.949 157 E CA -0.697 55.633 56.400 -0.118 0.000 0.775 157 E CB 0.766 30.308 29.700 -0.263 0.000 1.097 157 E HN 0.422 nan 8.360 nan 0.000 0.404 158 C N 3.395 122.660 119.300 -0.058 0.000 2.689 158 C HA 0.220 4.732 4.460 0.087 0.000 0.409 158 C C 0.311 175.289 174.990 -0.020 0.000 1.293 158 C CA 0.155 59.169 59.018 -0.007 0.000 2.136 158 C CB 0.072 27.852 27.740 0.067 0.000 2.719 158 C HN 0.668 nan 8.230 nan 0.000 0.644 159 T N 6.034 120.591 114.554 0.005 0.000 2.770 159 T HA 0.415 4.818 4.350 0.087 0.000 0.283 159 T C -2.398 172.326 174.700 0.040 0.000 0.988 159 T CA -0.338 61.770 62.100 0.013 0.000 0.957 159 T CB 1.379 70.263 68.868 0.027 0.000 0.930 159 T HN 0.571 nan 8.240 nan 0.000 0.443 160 P HA 0.191 nan 4.420 nan 0.000 0.270 160 P C -1.360 176.003 177.300 0.105 0.000 1.223 160 P CA -0.423 62.705 63.100 0.046 0.000 0.785 160 P CB 0.366 32.070 31.700 0.007 0.000 0.923 161 Y N 2.765 123.058 120.300 -0.012 0.000 2.364 161 Y HA 0.473 5.076 4.550 0.087 0.000 0.340 161 Y C -2.211 173.685 175.900 -0.007 0.000 0.975 161 Y CA -2.433 55.658 58.100 -0.014 0.000 1.089 161 Y CB 0.890 39.336 38.460 -0.023 0.000 1.192 161 Y HN 0.347 nan 8.280 nan 0.000 0.454 162 P HA 0.608 nan 4.420 nan 0.000 0.276 162 P C -1.706 175.491 177.300 -0.172 0.000 1.261 162 P CA -0.511 62.176 63.100 -0.689 0.000 0.800 162 P CB 1.540 32.863 31.700 -0.629 0.000 1.066 163 A N 0.376 123.184 122.820 -0.020 0.000 2.486 163 A HA 0.605 4.977 4.320 0.087 0.000 0.300 163 A C 0.090 177.783 177.584 0.182 0.000 1.048 163 A CA -0.530 51.556 52.037 0.082 0.000 0.696 163 A CB 1.021 20.096 19.000 0.125 0.000 1.278 163 A HN 0.663 nan 8.150 nan 0.000 0.405 164 T N 0.226 114.840 114.554 0.100 0.000 2.868 164 T HA 0.436 4.838 4.350 0.087 0.000 0.292 164 T C -1.838 172.887 174.700 0.042 0.000 1.028 164 T CA -1.157 60.986 62.100 0.072 0.000 1.059 164 T CB 0.706 69.573 68.868 -0.001 0.000 0.991 164 T HN 0.251 nan 8.240 nan 0.000 0.531 165 P HA -0.130 nan 4.420 nan 0.000 0.216 165 P C 1.879 179.080 177.300 -0.165 0.000 1.150 165 P CA 1.122 63.972 63.100 -0.416 0.000 0.843 165 P CB -0.046 31.293 31.700 -0.601 0.000 0.787 166 S N -0.871 114.763 115.700 -0.109 0.000 2.355 166 S HA -0.130 4.392 4.470 0.087 0.000 0.222 166 S C 2.021 176.598 174.600 -0.039 0.000 1.031 166 S CA 0.904 59.061 58.200 -0.072 0.000 0.993 166 S CB -0.507 62.657 63.200 -0.060 0.000 0.859 166 S HN -0.026 nan 8.310 nan 0.000 0.453 167 R N 0.763 121.251 120.500 -0.019 0.000 2.091 167 R HA -0.040 4.352 4.340 0.087 0.000 0.238 167 R C 2.649 178.957 176.300 0.013 0.000 1.136 167 R CA 1.352 57.449 56.100 -0.005 0.000 0.959 167 R CB -0.781 29.523 30.300 0.005 0.000 0.856 167 R HN 0.539 nan 8.270 nan 0.000 0.437 168 A N 1.328 124.186 122.820 0.063 0.000 1.902 168 A HA -0.108 4.265 4.320 0.087 0.000 0.217 168 A C 2.401 180.019 177.584 0.057 0.000 1.181 168 A CA 1.696 53.799 52.037 0.110 0.000 0.623 168 A CB -0.566 18.610 19.000 0.294 0.000 0.818 168 A HN 0.400 nan 8.150 nan 0.000 0.443 169 A N -0.506 122.327 122.820 0.021 0.000 1.877 169 A HA -0.080 4.292 4.320 0.087 0.000 0.216 169 A C 2.460 180.025 177.584 -0.031 0.000 1.186 169 A CA 2.117 54.149 52.037 -0.008 0.000 0.620 169 A CB -0.972 18.006 19.000 -0.037 0.000 0.822 169 A HN 0.456 nan 8.150 nan 0.000 0.443 170 S N -0.428 115.248 115.700 -0.041 0.000 2.359 170 S HA -0.169 4.353 4.470 0.087 0.000 0.224 170 S C 2.360 176.902 174.600 -0.097 0.000 1.035 170 S CA 1.635 59.797 58.200 -0.063 0.000 1.018 170 S CB -0.416 62.750 63.200 -0.057 0.000 0.876 170 S HN 0.708 nan 8.310 nan 0.000 0.448 171 S N 1.013 116.662 115.700 -0.085 0.000 2.368 171 S HA -0.037 4.485 4.470 0.087 0.000 0.224 171 S C 1.971 176.489 174.600 -0.137 0.000 1.029 171 S CA 1.059 59.183 58.200 -0.127 0.000 0.988 171 S CB -0.389 62.763 63.200 -0.080 0.000 0.838 171 S HN 0.413 nan 8.310 nan 0.000 0.462 172 M N 1.357 120.914 119.600 -0.070 0.000 2.080 172 M HA -0.128 4.404 4.480 0.087 0.000 0.260 172 M C 1.783 178.037 176.300 -0.075 0.000 1.068 172 M CA 1.950 57.218 55.300 -0.053 0.000 1.109 172 M CB -1.019 31.579 32.600 -0.004 0.000 1.342 172 M HN 0.419 nan 8.290 nan 0.000 0.405 173 E N -0.435 119.717 120.200 -0.079 0.000 2.110 173 E HA -0.238 4.165 4.350 0.087 0.000 0.193 173 E C 2.135 178.655 176.600 -0.133 0.000 0.988 173 E CA 1.419 57.773 56.400 -0.077 0.000 0.804 173 E CB -0.285 29.377 29.700 -0.063 0.000 0.745 173 E HN 0.519 nan 8.360 nan 0.000 0.458 174 R N 0.687 121.044 120.500 -0.239 0.000 2.073 174 R HA -0.130 4.262 4.340 0.087 0.000 0.234 174 R C 2.327 178.329 176.300 -0.497 0.000 1.134 174 R CA 1.714 57.539 56.100 -0.459 0.000 0.952 174 R CB -0.143 29.761 30.300 -0.661 0.000 0.850 174 R HN -0.011 nan 8.270 nan 0.000 0.433 175 S N 0.274 115.772 115.700 -0.337 0.000 2.383 175 S HA -0.138 4.384 4.470 0.087 0.000 0.229 175 S C 1.835 176.448 174.600 0.023 0.000 1.030 175 S CA 1.463 59.585 58.200 -0.130 0.000 1.002 175 S CB -0.081 63.061 63.200 -0.096 0.000 0.829 175 S HN 0.308 nan 8.310 nan 0.000 0.467 176 M N 0.939 120.539 119.600 0.000 0.000 2.200 176 M HA 0.046 4.579 4.480 0.087 0.000 0.265 176 M C 2.023 178.392 176.300 0.116 0.000 1.066 176 M CA 1.231 56.574 55.300 0.071 0.000 1.127 176 M CB -1.197 31.434 32.600 0.051 0.000 1.379 176 M HN 0.253 nan 8.290 nan 0.000 0.420 177 R N -0.986 119.559 120.500 0.076 0.000 2.081 177 R HA -0.176 4.216 4.340 0.087 0.000 0.235 177 R C 2.110 178.611 176.300 0.335 0.000 1.131 177 R CA 1.355 57.546 56.100 0.152 0.000 0.960 177 R CB -0.297 30.058 30.300 0.093 0.000 0.856 177 R HN 0.371 nan 8.270 nan 0.000 0.436 178 W N 0.665 122.026 121.300 0.102 0.000 2.402 178 W HA 0.029 4.742 4.660 0.087 0.000 0.286 178 W C 2.387 179.000 176.519 0.157 0.000 1.221 178 W CA 0.524 57.954 57.345 0.143 0.000 1.257 178 W CB -0.886 28.666 29.460 0.154 0.000 1.120 178 W HN 0.179 nan 8.180 nan 0.000 0.551 179 A N 0.390 123.426 122.820 0.360 0.000 1.902 179 A HA -0.241 4.131 4.320 0.087 0.000 0.217 179 A C 2.051 179.855 177.584 0.367 0.000 1.181 179 A CA 2.390 54.627 52.037 0.333 0.000 0.623 179 A CB -0.675 18.493 19.000 0.279 0.000 0.818 179 A HN 0.109 nan 8.150 nan 0.000 0.443 180 K N 0.186 120.749 120.400 0.272 0.000 2.057 180 K HA -0.063 4.309 4.320 0.087 0.000 0.207 180 K C 2.044 178.740 176.600 0.159 0.000 1.049 180 K CA 1.660 58.055 56.287 0.180 0.000 0.931 180 K CB -0.377 32.208 32.500 0.140 0.000 0.714 180 K HN 0.464 nan 8.250 nan 0.000 0.440 181 R N -0.156 120.459 120.500 0.193 0.000 2.092 181 R HA -0.007 4.385 4.340 0.087 0.000 0.231 181 R C 2.371 178.753 176.300 0.137 0.000 1.119 181 R CA 1.504 57.693 56.100 0.148 0.000 0.970 181 R CB -0.241 30.152 30.300 0.155 0.000 0.864 181 R HN 0.154 nan 8.270 nan 0.000 0.440 182 S N 0.583 116.396 115.700 0.189 0.000 2.356 182 S HA -0.181 4.342 4.470 0.087 0.000 0.223 182 S C 1.794 176.515 174.600 0.202 0.000 1.032 182 S CA 1.431 59.751 58.200 0.200 0.000 1.005 182 S CB -0.236 63.114 63.200 0.251 0.000 0.867 182 S HN 0.219 nan 8.310 nan 0.000 0.449 183 R N 1.917 122.528 120.500 0.185 0.000 2.094 183 R HA -0.136 4.256 4.340 0.087 0.000 0.239 183 R C 1.506 177.861 176.300 0.091 0.000 1.137 183 R CA 2.157 58.291 56.100 0.055 0.000 0.943 183 R CB -0.859 29.370 30.300 -0.119 0.000 0.850 183 R HN 0.258 nan 8.270 nan 0.000 0.433 184 D N -0.138 120.310 120.400 0.079 0.000 2.144 184 D HA -0.088 4.604 4.640 0.087 0.000 0.200 184 D C 1.711 178.060 176.300 0.081 0.000 0.978 184 D CA 1.594 55.635 54.000 0.069 0.000 0.833 184 D CB -0.398 40.432 40.800 0.051 0.000 0.961 184 D HN 0.430 nan 8.370 nan 0.000 0.470 185 A N 0.463 123.340 122.820 0.094 0.000 1.898 185 A HA -0.143 4.229 4.320 0.087 0.000 0.216 185 A C 2.099 179.733 177.584 0.083 0.000 1.181 185 A CA 0.857 52.932 52.037 0.063 0.000 0.620 185 A CB -1.010 18.019 19.000 0.050 0.000 0.819 185 A HN 0.217 nan 8.150 nan 0.000 0.442 186 F N 1.412 121.358 119.950 -0.007 0.000 2.065 186 F HA -0.251 4.327 4.527 0.086 0.000 0.298 186 F C 1.768 177.547 175.800 -0.035 0.000 1.112 186 F CA 2.389 60.381 58.000 -0.014 0.000 1.212 186 F CB -0.241 38.773 39.000 0.023 0.000 0.975 186 F HN 0.244 nan 8.300 nan 0.000 0.476 187 D N -0.461 120.078 120.400 0.231 0.000 2.221 187 D HA -0.137 4.555 4.640 0.087 0.000 0.204 187 D C 2.400 178.691 176.300 -0.015 0.000 0.982 187 D CA 1.362 55.429 54.000 0.112 0.000 0.857 187 D CB -0.321 40.543 40.800 0.107 0.000 0.934 187 D HN 0.257 nan 8.370 nan 0.000 0.475 188 S N -0.406 115.276 115.700 -0.030 0.000 2.461 188 S HA -0.034 4.489 4.470 0.087 0.000 0.228 188 S C 1.199 175.733 174.600 -0.110 0.000 1.005 188 S CA 0.034 58.201 58.200 -0.055 0.000 0.942 188 S CB 0.319 63.496 63.200 -0.039 0.000 0.776 188 S HN 0.135 nan 8.310 nan 0.000 0.514 189 R N 1.634 122.022 120.500 -0.186 0.000 2.287 189 R HA 0.319 4.711 4.340 0.087 0.000 0.327 189 R C 1.270 177.407 176.300 -0.272 0.000 1.109 189 R CA 0.034 55.972 56.100 -0.270 0.000 1.013 189 R CB 0.086 30.133 30.300 -0.422 0.000 1.126 189 R HN 0.213 nan 8.270 nan 0.000 0.503 190 K N 2.902 123.197 120.400 -0.175 0.000 2.063 190 K HA -0.241 4.131 4.320 0.087 0.000 0.208 190 K C 1.621 178.138 176.600 -0.137 0.000 1.048 190 K CA 2.045 58.254 56.287 -0.129 0.000 0.928 190 K CB -0.515 31.940 32.500 -0.076 0.000 0.713 190 K HN 0.732 nan 8.250 nan 0.000 0.442 191 E N 0.478 120.600 120.200 -0.130 0.000 2.058 191 E HA -0.255 4.147 4.350 0.087 0.000 0.194 191 E C 2.267 178.808 176.600 -0.099 0.000 0.997 191 E CA 2.149 58.508 56.400 -0.068 0.000 0.801 191 E CB -0.290 29.421 29.700 0.020 0.000 0.746 191 E HN 0.725 nan 8.360 nan 0.000 0.450 192 Q N -0.486 119.173 119.800 -0.235 0.000 2.050 192 Q HA -0.130 4.263 4.340 0.087 0.000 0.202 192 Q C 2.129 177.804 176.000 -0.540 0.000 0.980 192 Q CA 1.828 57.425 55.803 -0.344 0.000 0.840 192 Q CB -0.396 27.999 28.738 -0.571 0.000 0.898 192 Q HN 0.426 nan 8.270 nan 0.000 0.424 193 A N 0.336 122.800 122.820 -0.593 0.000 2.015 193 A HA -0.172 4.201 4.320 0.087 0.000 0.219 193 A C 1.562 179.110 177.584 -0.061 0.000 1.163 193 A CA 1.465 53.263 52.037 -0.399 0.000 0.646 193 A CB -0.277 18.609 19.000 -0.190 0.000 0.806 193 A HN 0.483 nan 8.150 nan 0.000 0.448 194 E N -0.874 119.286 120.200 -0.067 0.000 2.447 194 E HA 0.027 4.429 4.350 0.087 0.000 0.195 194 E C 0.806 177.427 176.600 0.036 0.000 1.028 194 E CA 0.209 56.612 56.400 0.006 0.000 0.876 194 E CB 0.145 29.840 29.700 -0.008 0.000 0.885 194 E HN 0.547 nan 8.360 nan 0.000 0.500 195 N N -0.546 118.170 118.700 0.026 0.000 2.297 195 N HA 0.135 4.927 4.740 0.087 0.000 0.208 195 N C -0.046 175.526 175.510 0.104 0.000 1.176 195 N CA 0.173 53.257 53.050 0.056 0.000 0.882 195 N CB 1.230 39.735 38.487 0.031 0.000 1.134 195 N HN -0.038 nan 8.380 nan 0.000 0.489 196 A N 0.535 123.437 122.820 0.136 0.000 2.309 196 A HA 0.887 5.259 4.320 0.087 0.000 0.317 196 A C -0.673 177.137 177.584 0.376 0.000 1.134 196 A CA -0.390 51.789 52.037 0.236 0.000 0.866 196 A CB 1.237 20.390 19.000 0.255 0.000 1.329 196 A HN 0.103 nan 8.150 nan 0.000 0.477 197 A N -0.856 122.129 122.820 0.275 0.000 2.386 197 A HA 0.757 5.130 4.320 0.087 0.000 0.308 197 A C -1.409 176.087 177.584 -0.147 0.000 1.128 197 A CA -0.457 51.602 52.037 0.035 0.000 0.789 197 A CB 1.320 20.195 19.000 -0.208 0.000 1.325 197 A HN 1.556 nan 8.150 nan 0.000 0.437 198 L N 0.975 121.968 121.223 -0.384 0.000 2.381 198 L HA 0.785 5.177 4.340 0.087 0.000 0.274 198 L C -1.955 174.952 176.870 0.061 0.000 0.988 198 L CA -0.333 54.264 54.840 -0.404 0.000 0.824 198 L CB 1.195 42.675 42.059 -0.966 0.000 1.263 198 L HN 0.514 nan 8.230 nan 0.000 0.410 199 F N 2.507 122.294 119.950 -0.273 0.000 2.480 199 F HA 0.795 5.375 4.527 0.088 0.000 0.329 199 F C 0.908 176.291 175.800 -0.695 0.000 1.091 199 F CA -1.163 56.599 58.000 -0.396 0.000 0.972 199 F CB 2.003 40.861 39.000 -0.238 0.000 1.150 199 F HN 0.560 nan 8.300 nan 0.000 0.467 200 G N 2.302 110.444 108.800 -1.097 0.000 2.437 200 G HA2 0.674 4.686 3.960 0.087 0.000 0.319 200 G HA3 0.674 4.686 3.960 0.087 0.000 0.319 200 G C -1.069 173.523 174.900 -0.514 0.000 1.158 200 G CA -0.621 43.680 45.100 -1.331 0.000 0.899 200 G HN 0.499 nan 8.290 nan 0.000 0.502 201 I N 0.406 120.786 120.570 -0.316 0.000 2.436 201 I HA 0.259 4.481 4.170 0.087 0.000 0.289 201 I C 0.099 176.154 176.117 -0.104 0.000 1.010 201 I CA -0.589 60.609 61.300 -0.169 0.000 1.098 201 I CB 2.113 40.030 38.000 -0.137 0.000 1.266 201 I HN 0.412 nan 8.210 nan 0.000 0.434 202 Q N 5.842 125.598 119.800 -0.075 0.000 2.288 202 Q HA 0.300 4.692 4.340 0.087 0.000 0.254 202 Q C -0.973 174.998 176.000 -0.048 0.000 0.932 202 Q CA -0.302 55.477 55.803 -0.041 0.000 0.902 202 Q CB 1.213 29.933 28.738 -0.030 0.000 1.203 202 Q HN 0.533 nan 8.270 nan 0.000 0.415 203 Q N 1.055 120.841 119.800 -0.024 0.000 3.146 203 Q HA 0.534 4.926 4.340 0.087 0.000 0.318 203 Q C -0.062 175.951 176.000 0.022 0.000 0.992 203 Q CA -0.040 55.755 55.803 -0.013 0.000 0.809 203 Q CB 1.621 30.344 28.738 -0.024 0.000 1.490 203 Q HN 0.961 nan 8.270 nan 0.000 0.493 204 G N -0.042 108.784 108.800 0.045 0.000 2.148 204 G HA2 -0.202 3.811 3.960 0.087 0.000 0.157 204 G HA3 -0.202 3.811 3.960 0.087 0.000 0.157 204 G C 0.345 175.320 174.900 0.124 0.000 1.012 204 G CA 1.068 46.231 45.100 0.105 0.000 0.677 204 G HN 0.857 nan 8.290 nan 0.000 0.506 205 S N -2.303 113.427 115.700 0.051 0.000 3.938 205 S HA -0.370 4.152 4.470 0.087 0.000 0.624 205 S C 1.775 176.290 174.600 -0.143 0.000 2.186 205 S CA 3.495 61.674 58.200 -0.034 0.000 4.144 205 S CB -1.217 61.974 63.200 -0.014 0.000 0.230 205 S HN 2.075 nan 8.310 nan 0.000 0.755 206 V N -0.137 119.520 119.914 -0.428 0.000 3.271 206 V HA 0.598 4.770 4.120 0.087 0.000 0.327 206 V C -0.003 175.941 176.094 -0.251 0.000 1.389 206 V CA 0.042 62.149 62.300 -0.322 0.000 1.156 206 V CB -0.550 31.090 31.823 -0.306 0.000 1.103 206 V HN 0.469 nan 8.190 nan 0.000 0.453 207 F N 1.160 121.220 119.950 0.184 0.000 2.391 207 F HA 0.514 5.093 4.527 0.088 0.000 0.359 207 F C 1.543 177.334 175.800 -0.015 0.000 1.122 207 F CA -0.991 57.056 58.000 0.077 0.000 1.120 207 F CB 1.548 40.566 39.000 0.030 0.000 1.142 207 F HN 0.175 nan 8.300 nan 0.000 0.483 208 E N 2.819 122.922 120.200 -0.161 0.000 2.085 208 E HA -0.277 4.125 4.350 0.087 0.000 0.194 208 E C 1.849 178.338 176.600 -0.185 0.000 0.994 208 E CA 1.929 57.973 56.400 -0.594 0.000 0.801 208 E CB 0.102 29.137 29.700 -1.109 0.000 0.743 208 E HN 0.732 nan 8.360 nan 0.000 0.453 209 N N 1.157 119.805 118.700 -0.087 0.000 2.106 209 N HA -0.211 4.581 4.740 0.087 0.000 0.188 209 N C 2.074 177.588 175.510 0.006 0.000 1.029 209 N CA 1.487 54.510 53.050 -0.045 0.000 0.848 209 N CB -0.837 37.623 38.487 -0.045 0.000 1.007 209 N HN 0.306 nan 8.380 nan 0.000 0.423 210 L N -0.088 121.173 121.223 0.063 0.000 2.083 210 L HA 0.006 4.398 4.340 0.087 0.000 0.209 210 L C 2.809 179.724 176.870 0.075 0.000 1.083 210 L CA 0.892 55.778 54.840 0.078 0.000 0.752 210 L CB -0.341 41.805 42.059 0.145 0.000 0.899 210 L HN 0.117 nan 8.230 nan 0.000 0.433 211 R N 0.070 120.633 120.500 0.105 0.000 2.096 211 R HA -0.193 4.200 4.340 0.087 0.000 0.235 211 R C 2.205 178.541 176.300 0.060 0.000 1.127 211 R CA 1.325 57.490 56.100 0.107 0.000 0.968 211 R CB -0.401 30.032 30.300 0.223 0.000 0.861 211 R HN 0.344 nan 8.270 nan 0.000 0.440 212 Q N 1.210 121.030 119.800 0.033 0.000 2.046 212 Q HA -0.146 4.246 4.340 0.087 0.000 0.200 212 Q C 1.974 177.979 176.000 0.007 0.000 0.975 212 Q CA 1.727 57.534 55.803 0.008 0.000 0.836 212 Q CB -0.067 28.660 28.738 -0.017 0.000 0.896 212 Q HN 0.359 nan 8.270 nan 0.000 0.428 213 Q N -0.758 119.048 119.800 0.010 0.000 2.096 213 Q HA -0.157 4.235 4.340 0.087 0.000 0.204 213 Q C 2.237 178.250 176.000 0.022 0.000 0.982 213 Q CA 1.531 57.341 55.803 0.012 0.000 0.850 213 Q CB -0.302 28.441 28.738 0.009 0.000 0.901 213 Q HN 0.365 nan 8.270 nan 0.000 0.422 214 S N 0.071 115.787 115.700 0.026 0.000 2.368 214 S HA -0.151 4.371 4.470 0.087 0.000 0.225 214 S C 2.001 176.623 174.600 0.037 0.000 1.030 214 S CA 1.060 59.280 58.200 0.032 0.000 0.999 214 S CB -0.212 63.004 63.200 0.026 0.000 0.844 214 S HN 0.459 nan 8.310 nan 0.000 0.459 215 A N 1.450 124.279 122.820 0.015 0.000 1.902 215 A HA -0.127 4.245 4.320 0.087 0.000 0.217 215 A C 1.887 179.470 177.584 -0.002 0.000 1.181 215 A CA 1.999 54.028 52.037 -0.014 0.000 0.623 215 A CB -0.960 18.006 19.000 -0.057 0.000 0.818 215 A HN 0.550 nan 8.150 nan 0.000 0.443 216 D N 0.105 120.508 120.400 0.005 0.000 2.097 216 D HA -0.070 4.622 4.640 0.087 0.000 0.195 216 D C 2.280 178.608 176.300 0.048 0.000 0.989 216 D CA 1.668 55.676 54.000 0.013 0.000 0.827 216 D CB -0.579 40.227 40.800 0.009 0.000 0.966 216 D HN 0.409 nan 8.370 nan 0.000 0.456 217 A N 0.584 123.439 122.820 0.060 0.000 1.940 217 A HA -0.153 4.219 4.320 0.087 0.000 0.219 217 A C 2.402 180.079 177.584 0.155 0.000 1.176 217 A CA 1.095 53.185 52.037 0.088 0.000 0.631 217 A CB -0.784 18.263 19.000 0.079 0.000 0.814 217 A HN 0.227 nan 8.150 nan 0.000 0.446 218 L N -1.165 120.177 121.223 0.199 0.000 2.109 218 L HA -0.112 4.280 4.340 0.087 0.000 0.207 218 L C 3.057 180.202 176.870 0.459 0.000 1.086 218 L CA 0.883 55.958 54.840 0.390 0.000 0.760 218 L CB -0.470 41.816 42.059 0.379 0.000 0.910 218 L HN 0.427 nan 8.230 nan 0.000 0.437 219 A N -0.582 122.389 122.820 0.251 0.000 1.969 219 A HA -0.219 4.153 4.320 0.087 0.000 0.218 219 A C 2.293 179.956 177.584 0.131 0.000 1.169 219 A CA 1.499 53.637 52.037 0.167 0.000 0.635 219 A CB -0.394 18.597 19.000 -0.015 0.000 0.810 219 A HN 0.415 nan 8.150 nan 0.000 0.445 220 E N 0.002 120.262 120.200 0.100 0.000 2.072 220 E HA -0.154 4.249 4.350 0.087 0.000 0.191 220 E C 1.901 178.524 176.600 0.039 0.000 0.985 220 E CA 1.247 57.683 56.400 0.060 0.000 0.801 220 E CB -0.185 29.545 29.700 0.050 0.000 0.750 220 E HN 0.666 nan 8.360 nan 0.000 0.452 221 I N 0.405 121.008 120.570 0.054 0.000 2.179 221 I HA -0.140 4.083 4.170 0.087 0.000 0.242 221 I C 1.164 177.155 176.117 -0.210 0.000 1.088 221 I CA 1.127 62.381 61.300 -0.076 0.000 1.357 221 I CB -0.342 37.615 38.000 -0.071 0.000 1.051 221 I HN 0.269 nan 8.210 nan 0.000 0.409 222 G N 0.538 109.258 108.800 -0.133 0.000 3.322 222 G HA2 -0.152 3.861 3.960 0.087 0.000 0.686 222 G HA3 -0.152 3.861 3.960 0.087 0.000 0.686 222 G C -0.779 173.833 174.900 -0.480 0.000 1.015 222 G CA -0.861 44.172 45.100 -0.111 0.000 0.826 222 G HN 0.070 nan 8.290 nan 0.000 0.538 223 F N 0.375 120.252 119.950 -0.123 0.000 2.664 223 F HA 0.566 5.145 4.527 0.087 0.000 0.329 223 F C 1.015 176.570 175.800 -0.408 0.000 1.090 223 F CA -0.953 56.812 58.000 -0.392 0.000 0.978 223 F CB 1.483 40.066 39.000 -0.695 0.000 1.378 223 F HN 0.329 nan 8.300 nan 0.000 0.495 224 D N 0.117 120.364 120.400 -0.255 0.000 2.323 224 D HA 0.228 4.920 4.640 0.087 0.000 0.209 224 D C 0.528 176.487 176.300 -0.569 0.000 0.973 224 D CA 0.780 54.511 54.000 -0.447 0.000 0.874 224 D CB 0.572 40.866 40.800 -0.843 0.000 0.930 224 D HN 0.588 nan 8.370 nan 0.000 0.521 225 G N -0.490 107.728 108.800 -0.970 0.000 2.673 225 G HA2 0.452 4.465 3.960 0.087 0.000 0.292 225 G HA3 0.452 4.465 3.960 0.087 0.000 0.292 225 G C -2.087 171.947 174.900 -1.443 0.000 1.450 225 G CA -0.749 43.346 45.100 -1.675 0.000 0.837 225 G HN -0.072 nan 8.290 nan 0.000 0.505 226 Y N 0.255 120.179 120.300 -0.628 0.000 2.326 226 Y HA 0.664 5.267 4.550 0.087 0.000 0.329 226 Y C 0.599 176.393 175.900 -0.176 0.000 0.973 226 Y CA -0.633 57.290 58.100 -0.295 0.000 1.162 226 Y CB 2.140 40.502 38.460 -0.163 0.000 1.147 226 Y HN 0.823 nan 8.280 nan 0.000 0.456 227 A N 2.310 125.105 122.820 -0.042 0.000 2.302 227 A HA 0.703 5.075 4.320 0.087 0.000 0.285 227 A C -0.721 176.780 177.584 -0.138 0.000 1.105 227 A CA -0.644 51.330 52.037 -0.105 0.000 0.816 227 A CB 0.609 19.468 19.000 -0.234 0.000 1.067 227 A HN 0.540 nan 8.150 nan 0.000 0.489 228 V N 2.644 122.445 119.914 -0.190 0.000 2.320 228 V HA 0.482 4.654 4.120 0.087 0.000 0.265 228 V C 1.033 177.010 176.094 -0.195 0.000 1.048 228 V CA 0.153 62.357 62.300 -0.160 0.000 0.865 228 V CB 0.437 32.178 31.823 -0.138 0.000 1.043 228 V HN 1.081 nan 8.190 nan 0.000 0.474 229 G N 2.618 111.322 108.800 -0.159 0.000 2.502 229 G HA2 0.535 4.547 3.960 0.087 0.000 0.305 229 G HA3 0.535 4.547 3.960 0.087 0.000 0.305 229 G C 0.911 175.749 174.900 -0.103 0.000 1.190 229 G CA 0.074 45.080 45.100 -0.157 0.000 0.933 229 G HN 1.509 nan 8.290 nan 0.000 0.503 230 G N -1.317 107.439 108.800 -0.073 0.000 2.148 230 G HA2 -0.237 3.775 3.960 0.087 0.000 0.254 230 G HA3 -0.237 3.775 3.960 0.087 0.000 0.254 230 G C 0.720 175.586 174.900 -0.056 0.000 0.981 230 G CA 0.542 45.625 45.100 -0.028 0.000 0.670 230 G HN 0.723 nan 8.290 nan 0.000 0.528 231 L N -0.463 120.709 121.223 -0.084 0.000 2.910 231 L HA 0.555 4.947 4.340 0.087 0.000 0.252 231 L C 1.617 178.433 176.870 -0.090 0.000 1.195 231 L CA 0.651 55.422 54.840 -0.115 0.000 1.003 231 L CB 0.569 42.562 42.059 -0.111 0.000 1.328 231 L HN 0.406 nan 8.230 nan 0.000 0.540 232 A N 0.296 123.091 122.820 -0.041 0.000 2.643 232 A HA 0.389 4.762 4.320 0.087 0.000 0.295 232 A C 0.675 178.296 177.584 0.062 0.000 1.065 232 A CA -0.040 51.998 52.037 0.002 0.000 0.986 232 A CB 0.072 19.076 19.000 0.005 0.000 1.212 232 A HN 0.085 nan 8.150 nan 0.000 0.516 233 V N -4.010 115.930 119.914 0.043 0.000 2.854 233 V HA 0.666 4.839 4.120 0.087 0.000 0.366 233 V C 0.838 176.998 176.094 0.110 0.000 1.322 233 V CA 0.257 62.617 62.300 0.099 0.000 1.243 233 V CB -0.652 31.244 31.823 0.121 0.000 1.337 233 V HN 1.208 nan 8.190 nan 0.000 0.585 234 G N 0.049 108.881 108.800 0.053 0.000 2.229 234 G HA2 -0.182 3.830 3.960 0.087 0.000 0.189 234 G HA3 -0.182 3.830 3.960 0.087 0.000 0.189 234 G C 0.039 174.924 174.900 -0.025 0.000 1.000 234 G CA -0.190 44.969 45.100 0.100 0.000 0.663 234 G HN 0.609 nan 8.290 nan 0.000 0.493 235 Q N 1.038 120.626 119.800 -0.354 0.000 2.337 235 Q HA 0.509 4.902 4.340 0.087 0.000 0.270 235 Q C 1.071 176.943 176.000 -0.215 0.000 1.002 235 Q CA 0.991 56.482 55.803 -0.520 0.000 0.888 235 Q CB 0.949 29.305 28.738 -0.635 0.000 1.222 235 Q HN 0.554 nan 8.270 nan 0.000 0.400 236 G N 0.825 109.536 108.800 -0.148 0.000 2.572 236 G HA2 -0.004 4.008 3.960 0.087 0.000 0.261 236 G HA3 -0.004 4.008 3.960 0.087 0.000 0.261 236 G C 0.255 175.038 174.900 -0.196 0.000 1.197 236 G CA -0.443 44.587 45.100 -0.117 0.000 0.870 236 G HN 0.804 nan 8.290 nan 0.000 0.548 237 Q N -0.585 119.068 119.800 -0.244 0.000 2.170 237 Q HA -0.149 4.244 4.340 0.087 0.000 0.203 237 Q C 1.556 177.215 176.000 -0.570 0.000 0.976 237 Q CA 1.937 57.446 55.803 -0.490 0.000 0.858 237 Q CB -0.028 28.381 28.738 -0.548 0.000 0.907 237 Q HN 0.659 nan 8.270 nan 0.000 0.433 238 D N 0.254 120.472 120.400 -0.303 0.000 2.084 238 D HA -0.191 4.501 4.640 0.087 0.000 0.194 238 D C 1.698 177.941 176.300 -0.094 0.000 0.990 238 D CA 1.544 55.447 54.000 -0.162 0.000 0.826 238 D CB -0.206 40.546 40.800 -0.080 0.000 0.971 238 D HN 0.299 nan 8.370 nan 0.000 0.453 239 E N 0.151 120.288 120.200 -0.104 0.000 2.085 239 E HA -0.185 4.217 4.350 0.087 0.000 0.194 239 E C 1.959 178.480 176.600 -0.130 0.000 0.994 239 E CA 0.952 57.293 56.400 -0.097 0.000 0.801 239 E CB -0.259 29.369 29.700 -0.120 0.000 0.743 239 E HN 0.153 nan 8.360 nan 0.000 0.453 240 M N -0.540 118.957 119.600 -0.172 0.000 2.108 240 M HA -0.152 4.380 4.480 0.087 0.000 0.261 240 M C 1.431 177.760 176.300 0.048 0.000 1.066 240 M CA 1.458 56.689 55.300 -0.116 0.000 1.107 240 M CB -0.320 32.204 32.600 -0.126 0.000 1.356 240 M HN 0.182 nan 8.290 nan 0.000 0.406 241 F N 0.623 120.517 119.950 -0.093 0.000 2.186 241 F HA -0.134 4.444 4.527 0.086 0.000 0.299 241 F C 2.707 178.427 175.800 -0.134 0.000 1.090 241 F CA 1.543 59.495 58.000 -0.081 0.000 1.307 241 F CB -1.377 37.604 39.000 -0.032 0.000 1.019 241 F HN 0.344 nan 8.300 nan 0.000 0.489 242 R N 0.392 120.928 120.500 0.061 0.000 2.096 242 R HA -0.100 4.292 4.340 0.087 0.000 0.235 242 R C 1.863 177.960 176.300 -0.338 0.000 1.127 242 R CA 1.594 57.668 56.100 -0.043 0.000 0.968 242 R CB -0.691 29.624 30.300 0.025 0.000 0.861 242 R HN 0.149 nan 8.270 nan 0.000 0.440 243 V N 1.657 121.306 119.914 -0.442 0.000 2.379 243 V HA -0.180 3.992 4.120 0.087 0.000 0.245 243 V C 2.462 178.036 176.094 -0.866 0.000 1.044 243 V CA 1.469 63.198 62.300 -0.951 0.000 1.036 243 V CB -0.359 31.189 31.823 -0.459 0.000 0.664 243 V HN 0.300 nan 8.190 nan 0.000 0.453 244 L N -0.247 120.747 121.223 -0.381 0.000 2.079 244 L HA -0.213 4.179 4.340 0.087 0.000 0.210 244 L C 2.398 179.121 176.870 -0.244 0.000 1.081 244 L CA 1.538 56.233 54.840 -0.241 0.000 0.752 244 L CB -0.829 41.180 42.059 -0.084 0.000 0.896 244 L HN 0.327 nan 8.230 nan 0.000 0.433 245 D N 0.259 120.517 120.400 -0.236 0.000 2.149 245 D HA -0.230 4.462 4.640 0.087 0.000 0.194 245 D C 1.876 178.154 176.300 -0.037 0.000 1.001 245 D CA 1.855 55.786 54.000 -0.115 0.000 0.849 245 D CB -0.136 40.631 40.800 -0.056 0.000 0.939 245 D HN 0.505 nan 8.370 nan 0.000 0.449 246 F N -0.896 119.051 119.950 -0.004 0.000 2.582 246 F HA 0.359 4.939 4.527 0.088 0.000 0.290 246 F C 2.203 177.983 175.800 -0.033 0.000 1.115 246 F CA -0.072 57.921 58.000 -0.013 0.000 1.445 246 F CB -0.545 38.454 39.000 -0.002 0.000 1.126 246 F HN -0.255 nan 8.300 nan 0.000 0.574 247 S N 1.076 116.777 115.700 0.002 0.000 2.377 247 S HA -0.047 4.475 4.470 0.087 0.000 0.223 247 S C 2.157 176.722 174.600 -0.058 0.000 1.030 247 S CA 1.228 59.455 58.200 0.045 0.000 0.970 247 S CB -0.435 62.709 63.200 -0.094 0.000 0.830 247 S HN 0.245 nan 8.310 nan 0.000 0.473 248 V N 2.664 122.509 119.914 -0.116 0.000 2.427 248 V HA -0.057 4.115 4.120 0.087 0.000 0.248 248 V C -1.074 174.906 176.094 -0.190 0.000 1.051 248 V CA 1.407 63.590 62.300 -0.196 0.000 1.048 248 V CB -1.826 29.904 31.823 -0.154 0.000 0.666 248 V HN 0.339 nan 8.190 nan 0.000 0.456 249 P HA -0.056 nan 4.420 nan 0.000 0.230 249 P C 1.568 178.827 177.300 -0.069 0.000 1.158 249 P CA 1.128 64.195 63.100 -0.054 0.000 0.769 249 P CB -0.147 31.554 31.700 0.000 0.000 0.807 250 M N -1.837 117.717 119.600 -0.076 0.000 2.492 250 M HA 0.016 4.548 4.480 0.087 0.000 0.262 250 M C 0.598 176.803 176.300 -0.159 0.000 1.090 250 M CA 0.761 56.014 55.300 -0.078 0.000 1.110 250 M CB -0.441 32.136 32.600 -0.037 0.000 1.407 250 M HN -0.102 nan 8.290 nan 0.000 0.470 251 L N 0.660 121.730 121.223 -0.256 0.000 2.399 251 L HA 0.326 4.718 4.340 0.087 0.000 0.266 251 L C -2.092 174.600 176.870 -0.297 0.000 1.114 251 L CA -2.258 52.343 54.840 -0.397 0.000 0.804 251 L CB -0.215 41.514 42.059 -0.551 0.000 1.146 251 L HN -0.236 nan 8.230 nan 0.000 0.451 252 P HA -0.054 nan 4.420 nan 0.000 0.262 252 P C -0.088 177.291 177.300 0.131 0.000 1.182 252 P CA 0.235 63.266 63.100 -0.114 0.000 0.761 252 P CB 0.544 32.156 31.700 -0.147 0.000 0.795 253 D N 2.445 122.929 120.400 0.139 0.000 2.178 253 D HA -0.179 4.513 4.640 0.087 0.000 0.202 253 D C 0.983 177.404 176.300 0.203 0.000 0.974 253 D CA 1.055 55.182 54.000 0.212 0.000 0.841 253 D CB -0.020 40.851 40.800 0.118 0.000 0.953 253 D HN 0.379 nan 8.370 nan 0.000 0.478 254 D N -0.737 119.772 120.400 0.182 0.000 2.325 254 D HA -0.004 4.688 4.640 0.087 0.000 0.225 254 D C -0.140 176.380 176.300 0.368 0.000 1.096 254 D CA 0.078 54.202 54.000 0.207 0.000 0.844 254 D CB 0.066 40.947 40.800 0.135 0.000 0.925 254 D HN 0.006 nan 8.370 nan 0.000 0.513 255 K N 0.746 121.337 120.400 0.318 0.000 2.328 255 K HA 0.476 4.848 4.320 0.087 0.000 0.246 255 K C -2.850 173.609 176.600 -0.235 0.000 0.955 255 K CA -2.336 54.087 56.287 0.227 0.000 0.817 255 K CB 1.602 34.296 32.500 0.323 0.000 1.208 255 K HN -0.107 nan 8.250 nan 0.000 0.432 256 P HA 0.122 nan 4.420 nan 0.000 0.269 256 P C -0.955 176.134 177.300 -0.352 0.000 1.209 256 P CA 0.105 62.668 63.100 -0.894 0.000 0.776 256 P CB 0.208 31.448 31.700 -0.766 0.000 0.876 257 H N 1.121 120.064 119.070 -0.211 0.000 2.551 257 H HA 0.350 4.958 4.556 0.087 0.000 0.321 257 H C -0.952 174.330 175.328 -0.076 0.000 1.028 257 H CA -0.674 55.308 56.048 -0.110 0.000 1.215 257 H CB 0.840 30.554 29.762 -0.081 0.000 1.414 257 H HN 0.404 nan 8.280 nan 0.000 0.480 258 Y N 4.213 124.472 120.300 -0.068 0.000 2.345 258 Y HA 0.263 4.865 4.550 0.088 0.000 0.331 258 Y C -1.528 174.286 175.900 -0.144 0.000 0.959 258 Y CA -1.860 56.166 58.100 -0.122 0.000 1.204 258 Y CB 0.681 39.160 38.460 0.030 0.000 1.135 258 Y HN 0.526 nan 8.280 nan 0.000 0.477 259 L N 7.753 128.857 121.223 -0.198 0.000 2.342 259 L HA 0.377 4.769 4.340 0.087 0.000 0.285 259 L C -0.534 176.175 176.870 -0.268 0.000 1.095 259 L CA 0.078 54.769 54.840 -0.250 0.000 0.843 259 L CB -0.056 41.916 42.059 -0.146 0.000 1.201 259 L HN 0.692 nan 8.230 nan 0.000 0.445 260 M N 4.819 124.115 119.600 -0.507 0.000 2.200 260 M HA 0.302 4.834 4.480 0.087 0.000 0.355 260 M C 1.375 177.554 176.300 -0.200 0.000 1.283 260 M CA 0.482 55.484 55.300 -0.497 0.000 1.124 260 M CB 0.632 32.864 32.600 -0.614 0.000 1.625 260 M HN 0.825 nan 8.290 nan 0.000 0.463 261 G N 2.263 111.009 108.800 -0.090 0.000 2.153 261 G HA2 -0.181 3.831 3.960 0.087 0.000 0.252 261 G HA3 -0.181 3.831 3.960 0.087 0.000 0.252 261 G C -0.265 174.690 174.900 0.093 0.000 0.994 261 G CA -0.132 44.949 45.100 -0.031 0.000 0.698 261 G HN 0.581 nan 8.290 nan 0.000 0.521 262 V N -0.160 119.869 119.914 0.192 0.000 2.459 262 V HA 0.938 5.110 4.120 0.087 0.000 0.295 262 V C 0.827 177.184 176.094 0.438 0.000 1.029 262 V CA 0.634 63.105 62.300 0.286 0.000 0.874 262 V CB 1.322 33.329 31.823 0.306 0.000 0.985 262 V HN 1.454 nan 8.190 nan 0.000 0.438 263 G N 4.256 113.264 108.800 0.347 0.000 2.452 263 G HA2 0.202 4.215 3.960 0.087 0.000 0.224 263 G HA3 0.202 4.215 3.960 0.087 0.000 0.224 263 G C -1.145 173.866 174.900 0.185 0.000 1.208 263 G CA -0.937 44.303 45.100 0.232 0.000 0.946 263 G HN 0.540 nan 8.290 nan 0.000 0.481 264 K N 1.201 121.688 120.400 0.145 0.000 2.276 264 K HA 0.293 4.665 4.320 0.087 0.000 0.259 264 K C -1.712 174.834 176.600 -0.090 0.000 1.001 264 K CA -0.952 55.403 56.287 0.112 0.000 0.927 264 K CB 1.182 33.807 32.500 0.208 0.000 0.969 264 K HN 0.026 nan 8.250 nan 0.000 0.490 265 P HA -0.254 nan 4.420 nan 0.000 0.216 265 P C 0.498 177.661 177.300 -0.229 0.000 1.157 265 P CA 1.531 64.346 63.100 -0.476 0.000 0.880 265 P CB 0.074 31.495 31.700 -0.465 0.000 0.791 266 D N -1.074 119.336 120.400 0.017 0.000 2.178 266 D HA -0.159 4.533 4.640 0.087 0.000 0.202 266 D C 1.215 177.688 176.300 0.288 0.000 0.974 266 D CA 1.030 55.205 54.000 0.291 0.000 0.841 266 D CB -1.083 40.052 40.800 0.557 0.000 0.953 266 D HN 0.167 nan 8.370 nan 0.000 0.478 267 D N 1.044 121.572 120.400 0.213 0.000 2.144 267 D HA -0.069 4.623 4.640 0.087 0.000 0.199 267 D C 2.408 178.858 176.300 0.249 0.000 0.984 267 D CA 0.439 54.619 54.000 0.301 0.000 0.834 267 D CB -0.106 40.812 40.800 0.198 0.000 0.955 267 D HN 0.336 nan 8.370 nan 0.000 0.465 268 I N 0.688 121.230 120.570 -0.048 0.000 2.179 268 I HA -0.227 3.996 4.170 0.087 0.000 0.242 268 I C 2.460 178.490 176.117 -0.145 0.000 1.088 268 I CA 0.620 61.683 61.300 -0.396 0.000 1.357 268 I CB -0.122 37.419 38.000 -0.765 0.000 1.051 268 I HN -0.119 nan 8.210 nan 0.000 0.409 269 V N 0.991 120.866 119.914 -0.064 0.000 2.261 269 V HA -0.244 3.928 4.120 0.087 0.000 0.246 269 V C 2.597 178.788 176.094 0.161 0.000 1.047 269 V CA 2.303 64.656 62.300 0.089 0.000 1.015 269 V CB -1.493 30.331 31.823 0.001 0.000 0.642 269 V HN 0.577 nan 8.190 nan 0.000 0.446 270 G N -0.635 108.229 108.800 0.106 0.000 2.422 270 G HA2 -0.191 3.821 3.960 0.087 0.000 0.218 270 G HA3 -0.191 3.821 3.960 0.087 0.000 0.218 270 G C 1.751 176.433 174.900 -0.364 0.000 1.146 270 G CA 1.062 46.001 45.100 -0.270 0.000 0.769 270 G HN 0.621 nan 8.290 nan 0.000 0.547 271 A N 0.172 122.993 122.820 0.001 0.000 1.902 271 A HA 0.070 4.443 4.320 0.087 0.000 0.217 271 A C 2.588 180.303 177.584 0.217 0.000 1.181 271 A CA 1.803 53.944 52.037 0.173 0.000 0.623 271 A CB -0.605 18.709 19.000 0.523 0.000 0.818 271 A HN 0.255 nan 8.150 nan 0.000 0.443 272 V N 0.279 120.384 119.914 0.319 0.000 2.427 272 V HA -0.246 3.927 4.120 0.087 0.000 0.248 272 V C 2.249 178.479 176.094 0.228 0.000 1.051 272 V CA 2.111 64.564 62.300 0.255 0.000 1.048 272 V CB -0.881 31.045 31.823 0.172 0.000 0.666 272 V HN 0.637 nan 8.190 nan 0.000 0.456 273 E N -0.118 120.265 120.200 0.306 0.000 2.331 273 E HA -0.191 4.211 4.350 0.087 0.000 0.199 273 E C 2.029 178.681 176.600 0.088 0.000 1.008 273 E CA 0.795 57.352 56.400 0.263 0.000 0.843 273 E CB -0.099 29.649 29.700 0.080 0.000 0.761 273 E HN 0.529 nan 8.360 nan 0.000 0.507 274 R N -1.044 119.470 120.500 0.023 0.000 2.393 274 R HA 0.125 4.517 4.340 0.087 0.000 0.244 274 R C 0.803 177.127 176.300 0.039 0.000 0.920 274 R CA 0.454 56.547 56.100 -0.012 0.000 1.076 274 R CB 1.100 31.341 30.300 -0.098 0.000 1.119 274 R HN 0.204 nan 8.270 nan 0.000 0.524 275 G N 0.491 109.345 108.800 0.091 0.000 2.168 275 G HA2 -0.172 3.840 3.960 0.087 0.000 0.197 275 G HA3 -0.172 3.840 3.960 0.087 0.000 0.197 275 G C 0.020 175.030 174.900 0.184 0.000 0.997 275 G CA -0.663 44.523 45.100 0.143 0.000 0.658 275 G HN 0.059 nan 8.290 nan 0.000 0.513 276 I N 1.504 122.135 120.570 0.101 0.000 2.472 276 I HA 0.356 4.578 4.170 0.087 0.000 0.290 276 I C 0.422 176.512 176.117 -0.046 0.000 1.016 276 I CA -0.211 61.084 61.300 -0.008 0.000 1.348 276 I CB 1.215 39.114 38.000 -0.169 0.000 1.417 276 I HN 0.017 nan 8.210 nan 0.000 0.521 277 D N 4.409 124.727 120.400 -0.136 0.000 2.479 277 D HA 0.228 4.920 4.640 0.087 0.000 0.221 277 D C 0.189 176.427 176.300 -0.104 0.000 1.104 277 D CA 0.689 54.637 54.000 -0.085 0.000 0.849 277 D CB 1.136 41.847 40.800 -0.149 0.000 1.072 277 D HN 0.402 nan 8.370 nan 0.000 0.502 278 M N 0.183 119.607 119.600 -0.293 0.000 2.433 278 M HA 0.440 4.973 4.480 0.087 0.000 0.290 278 M C -1.630 174.447 176.300 -0.372 0.000 1.173 278 M CA -0.577 54.606 55.300 -0.194 0.000 0.905 278 M CB 3.019 35.511 32.600 -0.179 0.000 1.692 278 M HN -0.311 nan 8.290 nan 0.000 0.462 279 F N 0.406 120.440 119.950 0.141 0.000 2.601 279 F HA 0.603 5.182 4.527 0.086 0.000 0.309 279 F C -0.652 175.100 175.800 -0.080 0.000 1.089 279 F CA -0.828 57.291 58.000 0.199 0.000 0.940 279 F CB 1.843 41.046 39.000 0.338 0.000 1.273 279 F HN 0.558 nan 8.300 nan 0.000 0.450 280 D N 0.579 121.102 120.400 0.204 0.000 2.661 280 D HA 0.664 5.356 4.640 0.087 0.000 0.228 280 D C -1.389 174.988 176.300 0.128 0.000 1.183 280 D CA -0.565 53.357 54.000 -0.131 0.000 0.844 280 D CB 2.467 43.203 40.800 -0.106 0.000 1.555 280 D HN 0.838 nan 8.370 nan 0.000 0.453 281 C N -0.561 118.810 119.300 0.119 0.000 3.289 281 C HA 0.442 4.954 4.460 0.087 0.000 0.354 281 C C 0.846 175.922 174.990 0.142 0.000 1.201 281 C CA -0.221 58.908 59.018 0.185 0.000 1.199 281 C CB 0.478 28.380 27.740 0.271 0.000 1.511 281 C HN 0.656 nan 8.230 nan 0.000 0.506 282 V N 0.877 120.840 119.914 0.081 0.000 3.623 282 V HA 0.121 4.294 4.120 0.087 0.000 0.271 282 V C 1.716 177.830 176.094 0.032 0.000 1.248 282 V CA 1.284 63.609 62.300 0.041 0.000 1.156 282 V CB -0.563 31.282 31.823 0.037 0.000 0.870 282 V HN 1.032 nan 8.190 nan 0.000 0.453 283 L N 2.329 123.579 121.223 0.044 0.000 1.990 283 L HA 0.003 4.395 4.340 0.087 0.000 0.213 283 L C 0.252 177.147 176.870 0.043 0.000 1.072 283 L CA 2.880 57.766 54.840 0.076 0.000 0.755 283 L CB -1.605 40.536 42.059 0.137 0.000 0.889 283 L HN 0.328 nan 8.230 nan 0.000 0.432 284 P HA -0.091 nan 4.420 nan 0.000 0.220 284 P C 1.504 178.786 177.300 -0.030 0.000 1.152 284 P CA 2.112 65.111 63.100 -0.169 0.000 0.812 284 P CB -0.322 30.928 31.700 -0.750 0.000 0.792 285 T N -1.546 112.980 114.554 -0.048 0.000 2.698 285 T HA -0.095 4.307 4.350 0.087 0.000 0.260 285 T C 2.155 176.854 174.700 -0.000 0.000 1.044 285 T CA 0.815 62.904 62.100 -0.018 0.000 1.149 285 T CB -0.905 67.945 68.868 -0.031 0.000 0.864 285 T HN -0.005 nan 8.240 nan 0.000 0.419 286 R N 1.520 122.024 120.500 0.007 0.000 2.097 286 R HA -0.145 4.247 4.340 0.087 0.000 0.236 286 R C 2.809 179.122 176.300 0.021 0.000 1.135 286 R CA 2.295 58.404 56.100 0.015 0.000 0.934 286 R CB -0.728 29.588 30.300 0.028 0.000 0.846 286 R HN 0.580 nan 8.270 nan 0.000 0.431 287 S N -0.789 114.941 115.700 0.050 0.000 2.423 287 S HA -0.022 4.500 4.470 0.087 0.000 0.231 287 S C 2.056 176.662 174.600 0.010 0.000 1.014 287 S CA 0.894 59.117 58.200 0.039 0.000 0.965 287 S CB -0.375 62.873 63.200 0.081 0.000 0.785 287 S HN 0.562 nan 8.310 nan 0.000 0.495 288 G N 2.246 111.068 108.800 0.038 0.000 2.421 288 G HA2 -0.165 3.848 3.960 0.087 0.000 0.216 288 G HA3 -0.165 3.848 3.960 0.087 0.000 0.216 288 G C 1.693 176.577 174.900 -0.026 0.000 1.171 288 G CA 0.485 45.593 45.100 0.014 0.000 0.775 288 G HN 0.615 nan 8.290 nan 0.000 0.543 289 R N 0.368 120.853 120.500 -0.025 0.000 2.285 289 R HA 0.040 4.432 4.340 0.087 0.000 0.213 289 R C 1.262 177.531 176.300 -0.052 0.000 1.068 289 R CA 0.737 56.810 56.100 -0.045 0.000 1.004 289 R CB -0.091 30.186 30.300 -0.038 0.000 0.873 289 R HN 0.226 nan 8.270 nan 0.000 0.467 290 N N -0.249 118.425 118.700 -0.043 0.000 2.336 290 N HA 0.045 4.837 4.740 0.087 0.000 0.189 290 N C 0.922 176.393 175.510 -0.065 0.000 1.113 290 N CA 0.894 53.916 53.050 -0.048 0.000 0.858 290 N CB 1.423 39.892 38.487 -0.029 0.000 0.970 290 N HN 0.448 nan 8.380 nan 0.000 0.471 291 G N 0.773 109.524 108.800 -0.081 0.000 2.201 291 G HA2 -0.254 3.758 3.960 0.087 0.000 0.212 291 G HA3 -0.254 3.758 3.960 0.087 0.000 0.212 291 G C 0.038 174.862 174.900 -0.128 0.000 0.994 291 G CA -0.143 44.897 45.100 -0.100 0.000 0.644 291 G HN 0.455 nan 8.290 nan 0.000 0.508 292 Q N 0.833 120.548 119.800 -0.142 0.000 2.294 292 Q HA 0.680 5.072 4.340 0.087 0.000 0.257 292 Q C 0.037 175.857 176.000 -0.299 0.000 0.955 292 Q CA 0.240 55.899 55.803 -0.241 0.000 0.936 292 Q CB 0.893 29.472 28.738 -0.265 0.000 1.188 292 Q HN 0.911 nan 8.270 nan 0.000 0.420 293 A N 4.605 127.209 122.820 -0.359 0.000 2.318 293 A HA 0.602 4.975 4.320 0.087 0.000 0.324 293 A C -1.272 176.030 177.584 -0.469 0.000 1.170 293 A CA -0.646 51.223 52.037 -0.281 0.000 0.810 293 A CB 0.539 19.379 19.000 -0.267 0.000 1.198 293 A HN 0.767 nan 8.150 nan 0.000 0.484 294 F N 1.551 121.370 119.950 -0.218 0.000 2.396 294 F HA 0.531 5.109 4.527 0.084 0.000 0.343 294 F C 1.314 176.576 175.800 -0.898 0.000 1.104 294 F CA 0.619 58.259 58.000 -0.600 0.000 1.161 294 F CB 1.910 40.432 39.000 -0.795 0.000 1.146 294 F HN 0.637 nan 8.300 nan 0.000 0.522 295 T N -1.553 112.586 114.554 -0.692 0.000 2.896 295 T HA 0.250 4.652 4.350 0.087 0.000 0.297 295 T C 0.114 174.703 174.700 -0.184 0.000 1.108 295 T CA -0.919 60.905 62.100 -0.460 0.000 1.004 295 T CB 0.821 69.577 68.868 -0.187 0.000 1.159 295 T HN 0.620 nan 8.240 nan 0.000 0.499 296 W N 0.406 121.922 121.300 0.359 0.000 2.525 296 W HA 0.102 4.813 4.660 0.086 0.000 0.259 296 W C 1.135 177.740 176.519 0.143 0.000 1.253 296 W CA 0.060 57.664 57.345 0.432 0.000 1.262 296 W CB 0.114 29.784 29.460 0.350 0.000 1.122 296 W HN 0.668 nan 8.180 nan 0.000 0.607 297 D N -0.255 120.247 120.400 0.172 0.000 2.325 297 D HA 0.246 4.938 4.640 0.087 0.000 0.225 297 D C 1.186 177.279 176.300 -0.345 0.000 1.096 297 D CA 1.021 54.988 54.000 -0.055 0.000 0.844 297 D CB 0.024 40.816 40.800 -0.012 0.000 0.925 297 D HN 0.119 nan 8.370 nan 0.000 0.513 298 G N 2.215 110.622 108.800 -0.656 0.000 2.661 298 G HA2 -0.157 3.855 3.960 0.087 0.000 0.685 298 G HA3 -0.157 3.855 3.960 0.087 0.000 0.685 298 G C -2.981 171.531 174.900 -0.647 0.000 1.298 298 G CA -1.116 43.243 45.100 -1.233 0.000 0.855 298 G HN -0.091 nan 8.290 nan 0.000 0.560 299 P HA 0.556 nan 4.420 nan 0.000 0.278 299 P C 0.076 177.174 177.300 -0.337 0.000 1.238 299 P CA -0.161 62.654 63.100 -0.475 0.000 0.794 299 P CB 0.953 32.373 31.700 -0.466 0.000 0.955 300 I N -1.179 119.196 120.570 -0.325 0.000 2.646 300 I HA 0.563 4.785 4.170 0.087 0.000 0.299 300 I C -0.457 175.550 176.117 -0.183 0.000 1.036 300 I CA -1.148 60.041 61.300 -0.185 0.000 1.074 300 I CB 2.244 40.123 38.000 -0.202 0.000 1.258 300 I HN 0.062 nan 8.210 nan 0.000 0.430 301 N N 3.973 122.658 118.700 -0.024 0.000 2.485 301 N HA 0.235 5.027 4.740 0.087 0.000 0.243 301 N C 0.234 175.786 175.510 0.069 0.000 0.987 301 N CA -0.371 52.668 53.050 -0.017 0.000 0.940 301 N CB 1.340 39.839 38.487 0.019 0.000 1.122 301 N HN 0.857 nan 8.380 nan 0.000 0.509 302 I N 4.032 124.530 120.570 -0.121 0.000 2.756 302 I HA -0.050 4.172 4.170 0.087 0.000 0.262 302 I C 1.835 178.070 176.117 0.198 0.000 1.225 302 I CA 0.913 62.120 61.300 -0.156 0.000 1.472 302 I CB 0.071 37.917 38.000 -0.257 0.000 1.094 302 I HN 0.476 nan 8.210 nan 0.000 0.454 303 R N 0.395 120.964 120.500 0.115 0.000 2.285 303 R HA -0.076 4.316 4.340 0.087 0.000 0.213 303 R C 0.957 177.419 176.300 0.270 0.000 1.068 303 R CA 0.089 56.237 56.100 0.080 0.000 1.004 303 R CB -0.706 29.582 30.300 -0.020 0.000 0.873 303 R HN 0.392 nan 8.270 nan 0.000 0.467 304 N N 0.909 119.823 118.700 0.356 0.000 2.492 304 N HA -0.027 4.766 4.740 0.087 0.000 0.260 304 N C 0.720 176.339 175.510 0.181 0.000 1.215 304 N CA 0.343 53.525 53.050 0.219 0.000 0.923 304 N CB 1.257 39.811 38.487 0.111 0.000 1.092 304 N HN 0.055 nan 8.380 nan 0.000 0.448 305 A N 4.648 127.504 122.820 0.061 0.000 2.019 305 A HA -0.199 4.173 4.320 0.087 0.000 0.219 305 A C 1.952 179.411 177.584 -0.208 0.000 1.164 305 A CA 1.470 53.502 52.037 -0.008 0.000 0.644 305 A CB -0.418 18.580 19.000 -0.003 0.000 0.805 305 A HN 0.907 nan 8.150 nan 0.000 0.449 306 R N -1.756 118.533 120.500 -0.352 0.000 2.303 306 R HA -0.074 4.318 4.340 0.087 0.000 0.225 306 R C 0.493 176.414 176.300 -0.631 0.000 1.114 306 R CA 1.609 57.395 56.100 -0.524 0.000 1.007 306 R CB -0.533 29.348 30.300 -0.698 0.000 0.861 306 R HN 0.425 nan 8.270 nan 0.000 0.471 307 F N 0.939 120.759 119.950 -0.217 0.000 2.678 307 F HA 0.207 4.788 4.527 0.091 0.000 0.305 307 F C 2.207 177.750 175.800 -0.428 0.000 1.090 307 F CA 0.060 57.911 58.000 -0.248 0.000 1.272 307 F CB 0.454 39.369 39.000 -0.143 0.000 1.060 307 F HN 0.113 nan 8.300 nan 0.000 0.576 308 S N 0.173 115.569 115.700 -0.508 0.000 2.419 308 S HA -0.186 4.336 4.470 0.087 0.000 0.235 308 S C 1.104 175.632 174.600 -0.120 0.000 1.019 308 S CA 1.551 59.462 58.200 -0.480 0.000 0.982 308 S CB -0.347 62.700 63.200 -0.255 0.000 0.789 308 S HN 0.558 nan 8.310 nan 0.000 0.490 309 E N 0.445 120.600 120.200 -0.074 0.000 2.968 309 E HA 0.199 4.601 4.350 0.087 0.000 0.202 309 E C -1.172 175.437 176.600 0.015 0.000 0.979 309 E CA -0.270 56.123 56.400 -0.011 0.000 1.192 309 E CB 0.435 30.125 29.700 -0.018 0.000 1.059 309 E HN 0.330 nan 8.360 nan 0.000 0.470 310 D N 1.311 121.736 120.400 0.043 0.000 2.365 310 D HA 0.093 4.785 4.640 0.087 0.000 0.237 310 D C 0.716 177.066 176.300 0.084 0.000 1.190 310 D CA -0.076 53.975 54.000 0.084 0.000 0.867 310 D CB 0.929 41.843 40.800 0.190 0.000 1.050 310 D HN 0.194 nan 8.370 nan 0.000 0.491 311 L N 2.950 124.211 121.223 0.062 0.000 2.599 311 L HA 0.073 4.466 4.340 0.087 0.000 0.230 311 L C 1.245 178.149 176.870 0.056 0.000 1.141 311 L CA 0.277 55.152 54.840 0.059 0.000 0.877 311 L CB -0.056 42.026 42.059 0.039 0.000 1.009 311 L HN 0.112 nan 8.230 nan 0.000 0.447 312 K N 1.220 121.655 120.400 0.057 0.000 2.258 312 K HA 0.188 4.560 4.320 0.087 0.000 0.264 312 K C -2.104 174.518 176.600 0.036 0.000 1.007 312 K CA -1.741 54.573 56.287 0.046 0.000 0.941 312 K CB 0.296 32.825 32.500 0.048 0.000 0.966 312 K HN -0.176 nan 8.250 nan 0.000 0.480 313 P HA -0.051 nan 4.420 nan 0.000 0.271 313 P C 0.681 177.947 177.300 -0.057 0.000 1.244 313 P CA 0.035 63.145 63.100 0.016 0.000 0.793 313 P CB 0.541 32.264 31.700 0.037 0.000 0.984 314 L N -1.083 120.048 121.223 -0.153 0.000 2.043 314 L HA -0.106 4.286 4.340 0.087 0.000 0.212 314 L C 1.435 178.167 176.870 -0.229 0.000 1.075 314 L CA 1.726 56.369 54.840 -0.328 0.000 0.752 314 L CB -0.429 41.222 42.059 -0.680 0.000 0.891 314 L HN 0.517 nan 8.230 nan 0.000 0.432 315 D N -1.700 118.646 120.400 -0.090 0.000 2.819 315 D HA 0.086 4.778 4.640 0.087 0.000 0.232 315 D C 0.699 177.075 176.300 0.127 0.000 1.160 315 D CA 0.257 54.296 54.000 0.066 0.000 0.858 315 D CB 2.005 42.920 40.800 0.192 0.000 1.610 315 D HN -0.037 nan 8.370 nan 0.000 0.481 316 S N 2.651 118.438 115.700 0.145 0.000 2.419 316 S HA -0.148 4.374 4.470 0.087 0.000 0.233 316 S C 1.093 175.764 174.600 0.119 0.000 1.016 316 S CA 1.092 59.364 58.200 0.121 0.000 0.974 316 S CB 0.030 63.303 63.200 0.121 0.000 0.786 316 S HN 0.603 nan 8.310 nan 0.000 0.492 317 E N -0.698 119.615 120.200 0.188 0.000 2.541 317 E HA 0.284 4.686 4.350 0.087 0.000 0.219 317 E C 0.135 176.704 176.600 -0.051 0.000 0.922 317 E CA -0.323 56.125 56.400 0.081 0.000 1.095 317 E CB 0.844 30.625 29.700 0.136 0.000 1.112 317 E HN 0.479 nan 8.360 nan 0.000 0.516 318 C N 1.580 120.975 119.300 0.159 0.000 2.538 318 C HA -0.053 4.459 4.460 0.087 0.000 0.408 318 C C 1.111 176.107 174.990 0.009 0.000 1.421 318 C CA 0.341 59.462 59.018 0.172 0.000 1.642 318 C CB -0.397 27.567 27.740 0.374 0.000 2.553 318 C HN 0.493 nan 8.230 nan 0.000 0.604 319 H N 3.187 122.390 119.070 0.221 0.000 2.529 319 H HA 0.164 4.771 4.556 0.084 0.000 0.277 319 H C 1.278 176.698 175.328 0.154 0.000 1.004 319 H CA 0.159 56.302 56.048 0.158 0.000 1.167 319 H CB -0.208 29.628 29.762 0.123 0.000 1.445 319 H HN 0.867 nan 8.280 nan 0.000 0.554 320 C N -0.149 119.311 119.300 0.266 0.000 2.656 320 C HA 0.540 5.052 4.460 0.087 0.000 0.391 320 C C 2.279 177.403 174.990 0.223 0.000 1.300 320 C CA -0.031 59.131 59.018 0.240 0.000 2.302 320 C CB 0.443 28.337 27.740 0.256 0.000 2.655 320 C HN 0.532 nan 8.230 nan 0.000 0.656 321 A N 2.339 125.286 122.820 0.211 0.000 1.940 321 A HA -0.043 4.329 4.320 0.087 0.000 0.219 321 A C 2.111 179.857 177.584 0.270 0.000 1.176 321 A CA 2.326 54.482 52.037 0.198 0.000 0.631 321 A CB -0.995 18.131 19.000 0.211 0.000 0.814 321 A HN 1.063 nan 8.150 nan 0.000 0.446 322 V N -0.896 119.239 119.914 0.369 0.000 2.261 322 V HA -0.325 3.847 4.120 0.087 0.000 0.246 322 V C 2.542 178.857 176.094 0.368 0.000 1.047 322 V CA 2.111 64.714 62.300 0.506 0.000 1.015 322 V CB -1.197 30.850 31.823 0.374 0.000 0.642 322 V HN 0.687 nan 8.190 nan 0.000 0.446 323 C N -0.072 119.385 119.300 0.262 0.000 2.437 323 C HA -0.035 4.477 4.460 0.087 0.000 0.283 323 C C 3.237 178.294 174.990 0.111 0.000 1.424 323 C CA 0.946 60.066 59.018 0.170 0.000 1.782 323 C CB -1.522 26.321 27.740 0.172 0.000 1.833 323 C HN 0.742 nan 8.230 nan 0.000 0.532 324 Q N 0.853 120.712 119.800 0.097 0.000 2.187 324 Q HA -0.110 4.282 4.340 0.087 0.000 0.199 324 Q C 1.840 177.784 176.000 -0.093 0.000 0.957 324 Q CA 1.677 57.491 55.803 0.018 0.000 0.857 324 Q CB -0.364 28.391 28.738 0.029 0.000 0.929 324 Q HN 0.835 nan 8.270 nan 0.000 0.453 325 K N -2.564 117.716 120.400 -0.200 0.000 2.367 325 K HA 0.201 4.573 4.320 0.087 0.000 0.198 325 K C 0.125 176.370 176.600 -0.592 0.000 1.132 325 K CA -0.189 55.730 56.287 -0.612 0.000 0.941 325 K CB 0.908 32.632 32.500 -1.294 0.000 1.052 325 K HN 0.451 nan 8.250 nan 0.000 0.507 326 W N 1.755 123.095 121.300 0.066 0.000 2.799 326 W HA 0.356 5.041 4.660 0.041 0.000 0.349 326 W C 0.101 176.670 176.519 0.084 0.000 1.100 326 W CA -0.941 56.461 57.345 0.095 0.000 1.174 326 W CB 1.520 31.110 29.460 0.217 0.000 1.427 326 W HN -0.107 nan 8.180 nan 0.000 0.547 327 S N 0.325 116.228 115.700 0.339 0.000 2.687 327 S HA 0.429 4.951 4.470 0.087 0.000 0.283 327 S C 0.948 175.662 174.600 0.190 0.000 1.170 327 S CA -0.614 57.708 58.200 0.205 0.000 1.008 327 S CB 2.229 65.525 63.200 0.159 0.000 1.026 327 S HN 0.482 nan 8.310 nan 0.000 0.541 328 R N 0.641 121.191 120.500 0.084 0.000 2.119 328 R HA -0.167 4.225 4.340 0.087 0.000 0.246 328 R C 2.508 178.878 176.300 0.117 0.000 1.146 328 R CA 1.758 57.868 56.100 0.016 0.000 0.962 328 R CB -1.053 29.221 30.300 -0.045 0.000 0.863 328 R HN 0.839 nan 8.270 nan 0.000 0.442 329 A N 0.064 122.979 122.820 0.158 0.000 1.902 329 A HA -0.212 4.161 4.320 0.087 0.000 0.217 329 A C 1.966 179.725 177.584 0.292 0.000 1.181 329 A CA 1.207 53.355 52.037 0.184 0.000 0.623 329 A CB -0.671 18.409 19.000 0.132 0.000 0.818 329 A HN 0.450 nan 8.150 nan 0.000 0.443 330 Y N 0.439 120.836 120.300 0.162 0.000 2.145 330 Y HA -0.135 4.462 4.550 0.078 0.000 0.286 330 Y C 1.929 177.924 175.900 0.157 0.000 1.145 330 Y CA 1.566 59.777 58.100 0.184 0.000 1.148 330 Y CB -0.360 38.221 38.460 0.202 0.000 0.981 330 Y HN 0.257 nan 8.280 nan 0.000 0.507 331 I N -0.675 119.906 120.570 0.020 0.000 2.439 331 I HA -0.266 3.956 4.170 0.087 0.000 0.251 331 I C 2.396 178.445 176.117 -0.114 0.000 1.139 331 I CA 1.499 62.695 61.300 -0.173 0.000 1.438 331 I CB -0.525 37.410 38.000 -0.109 0.000 1.085 331 I HN 0.286 nan 8.210 nan 0.000 0.427 332 H N 0.450 119.479 119.070 -0.069 0.000 2.289 332 H HA -0.324 4.284 4.556 0.086 0.000 0.296 332 H C 2.389 177.701 175.328 -0.027 0.000 1.091 332 H CA 2.554 58.591 56.048 -0.019 0.000 1.274 332 H CB -0.195 29.617 29.762 0.084 0.000 1.364 332 H HN 0.427 nan 8.280 nan 0.000 0.490 333 H N -0.011 119.061 119.070 0.003 0.000 2.321 333 H HA -0.101 4.506 4.556 0.085 0.000 0.300 333 H C 2.282 177.494 175.328 -0.194 0.000 1.087 333 H CA 2.143 58.146 56.048 -0.075 0.000 1.319 333 H CB -0.528 29.258 29.762 0.041 0.000 1.379 333 H HN 0.419 nan 8.280 nan 0.000 0.501 334 L N -0.106 120.757 121.223 -0.600 0.000 2.042 334 L HA -0.186 4.206 4.340 0.087 0.000 0.210 334 L C 2.400 179.011 176.870 -0.432 0.000 1.076 334 L CA 1.051 55.518 54.840 -0.621 0.000 0.749 334 L CB -0.421 41.295 42.059 -0.571 0.000 0.893 334 L HN 0.393 nan 8.230 nan 0.000 0.432 335 I N -0.337 120.027 120.570 -0.343 0.000 2.353 335 I HA -0.200 4.022 4.170 0.087 0.000 0.248 335 I C 2.647 178.608 176.117 -0.260 0.000 1.119 335 I CA 1.296 62.439 61.300 -0.262 0.000 1.417 335 I CB -0.878 36.995 38.000 -0.212 0.000 1.078 335 I HN 0.284 nan 8.210 nan 0.000 0.421 336 R N 0.716 121.023 120.500 -0.321 0.000 2.152 336 R HA -0.077 4.316 4.340 0.087 0.000 0.232 336 R C 1.972 178.141 176.300 -0.220 0.000 1.117 336 R CA 1.340 57.279 56.100 -0.270 0.000 0.981 336 R CB -0.177 29.933 30.300 -0.317 0.000 0.870 336 R HN 0.302 nan 8.270 nan 0.000 0.451 337 A N 0.036 122.678 122.820 -0.297 0.000 2.251 337 A HA 0.206 4.579 4.320 0.087 0.000 0.209 337 A C 1.236 178.706 177.584 -0.189 0.000 1.187 337 A CA 0.579 52.468 52.037 -0.245 0.000 0.823 337 A CB -0.045 18.734 19.000 -0.369 0.000 0.846 337 A HN 0.404 nan 8.150 nan 0.000 0.486 338 G N -0.001 108.688 108.800 -0.186 0.000 2.283 338 G HA2 -0.227 3.785 3.960 0.087 0.000 0.280 338 G HA3 -0.227 3.785 3.960 0.087 0.000 0.280 338 G C -0.196 174.618 174.900 -0.143 0.000 1.029 338 G CA 0.371 45.385 45.100 -0.143 0.000 0.840 338 G HN 0.511 nan 8.290 nan 0.000 0.505 339 E N -0.795 119.291 120.200 -0.191 0.000 2.313 339 E HA 0.347 4.749 4.350 0.087 0.000 0.276 339 E C 1.825 178.334 176.600 -0.152 0.000 1.031 339 E CA -0.681 55.618 56.400 -0.168 0.000 0.857 339 E CB 0.830 30.404 29.700 -0.210 0.000 1.040 339 E HN 0.277 nan 8.360 nan 0.000 0.408 340 I N 2.138 122.641 120.570 -0.112 0.000 2.208 340 I HA -0.311 3.911 4.170 0.087 0.000 0.245 340 I C 2.241 178.286 176.117 -0.121 0.000 1.097 340 I CA 0.767 62.008 61.300 -0.098 0.000 1.363 340 I CB -0.176 37.783 38.000 -0.069 0.000 1.051 340 I HN 0.421 nan 8.210 nan 0.000 0.413 341 L N 1.228 122.367 121.223 -0.140 0.000 2.127 341 L HA -0.142 4.250 4.340 0.087 0.000 0.211 341 L C 2.283 179.010 176.870 -0.239 0.000 1.089 341 L CA 2.126 56.855 54.840 -0.183 0.000 0.757 341 L CB -1.192 40.753 42.059 -0.190 0.000 0.899 341 L HN 0.207 nan 8.230 nan 0.000 0.434 342 G N -1.195 107.454 108.800 -0.252 0.000 2.421 342 G HA2 -0.263 3.749 3.960 0.087 0.000 0.216 342 G HA3 -0.263 3.749 3.960 0.087 0.000 0.216 342 G C 1.621 176.414 174.900 -0.178 0.000 1.171 342 G CA 0.838 45.785 45.100 -0.256 0.000 0.775 342 G HN 0.627 nan 8.290 nan 0.000 0.543 343 A N 0.700 123.436 122.820 -0.140 0.000 1.883 343 A HA -0.029 4.343 4.320 0.087 0.000 0.217 343 A C 2.490 180.025 177.584 -0.082 0.000 1.186 343 A CA 1.976 53.955 52.037 -0.097 0.000 0.624 343 A CB -0.411 18.541 19.000 -0.080 0.000 0.822 343 A HN 0.396 nan 8.150 nan 0.000 0.444 344 M N -0.563 118.981 119.600 -0.095 0.000 2.082 344 M HA -0.172 4.360 4.480 0.087 0.000 0.258 344 M C 2.169 178.428 176.300 -0.068 0.000 1.071 344 M CA 1.759 57.014 55.300 -0.076 0.000 1.103 344 M CB -0.635 31.911 32.600 -0.091 0.000 1.307 344 M HN 0.371 nan 8.290 nan 0.000 0.409 345 L N -0.833 120.314 121.223 -0.127 0.000 2.056 345 L HA -0.180 4.213 4.340 0.087 0.000 0.207 345 L C 2.742 179.609 176.870 -0.005 0.000 1.078 345 L CA 0.693 55.475 54.840 -0.097 0.000 0.749 345 L CB -0.649 41.270 42.059 -0.234 0.000 0.901 345 L HN 0.389 nan 8.230 nan 0.000 0.433 346 M N -0.369 119.208 119.600 -0.038 0.000 2.080 346 M HA -0.172 4.360 4.480 0.087 0.000 0.260 346 M C 2.345 178.686 176.300 0.068 0.000 1.068 346 M CA 1.964 57.268 55.300 0.007 0.000 1.109 346 M CB -1.346 31.226 32.600 -0.047 0.000 1.342 346 M HN 0.243 nan 8.290 nan 0.000 0.405 347 T N -0.327 114.244 114.554 0.028 0.000 2.821 347 T HA -0.150 4.252 4.350 0.087 0.000 0.267 347 T C 1.747 176.481 174.700 0.058 0.000 1.046 347 T CA 1.438 63.558 62.100 0.033 0.000 1.139 347 T CB -0.147 68.722 68.868 0.002 0.000 0.871 347 T HN 0.475 nan 8.240 nan 0.000 0.454 348 E N 0.260 120.505 120.200 0.074 0.000 2.072 348 E HA -0.225 4.178 4.350 0.087 0.000 0.191 348 E C 2.074 178.756 176.600 0.137 0.000 0.985 348 E CA 1.115 57.575 56.400 0.101 0.000 0.801 348 E CB -0.103 29.668 29.700 0.118 0.000 0.750 348 E HN 0.651 nan 8.360 nan 0.000 0.452 349 H N 0.583 119.712 119.070 0.097 0.000 2.290 349 H HA -0.090 4.515 4.556 0.082 0.000 0.298 349 H C 1.882 177.309 175.328 0.166 0.000 1.087 349 H CA 2.381 58.506 56.048 0.127 0.000 1.291 349 H CB -0.108 29.707 29.762 0.088 0.000 1.369 349 H HN 0.126 nan 8.280 nan 0.000 0.492 350 N N 0.190 118.915 118.700 0.043 0.000 2.120 350 N HA -0.115 4.678 4.740 0.087 0.000 0.188 350 N C 1.851 177.390 175.510 0.049 0.000 1.024 350 N CA 1.202 54.301 53.050 0.082 0.000 0.852 350 N CB -0.174 38.441 38.487 0.213 0.000 1.003 350 N HN 0.356 nan 8.380 nan 0.000 0.424 351 I N 1.109 121.685 120.570 0.009 0.000 2.394 351 I HA -0.111 4.111 4.170 0.087 0.000 0.251 351 I C 2.163 178.316 176.117 0.059 0.000 1.136 351 I CA 0.483 61.792 61.300 0.014 0.000 1.425 351 I CB -1.477 36.544 38.000 0.035 0.000 1.079 351 I HN 0.006 nan 8.210 nan 0.000 0.425 352 A N 0.349 123.193 122.820 0.040 0.000 1.898 352 A HA -0.236 4.136 4.320 0.087 0.000 0.216 352 A C 2.314 179.908 177.584 0.017 0.000 1.181 352 A CA 1.097 53.166 52.037 0.052 0.000 0.620 352 A CB -1.045 18.002 19.000 0.078 0.000 0.819 352 A HN 0.338 nan 8.150 nan 0.000 0.442 353 F N -0.601 119.220 119.950 -0.215 0.000 2.065 353 F HA -0.264 4.313 4.527 0.083 0.000 0.298 353 F C 2.168 177.839 175.800 -0.215 0.000 1.112 353 F CA 2.140 59.979 58.000 -0.269 0.000 1.212 353 F CB -0.528 38.218 39.000 -0.424 0.000 0.975 353 F HN 0.312 nan 8.300 nan 0.000 0.476 354 Y N 0.689 120.817 120.300 -0.286 0.000 2.114 354 Y HA -0.309 4.293 4.550 0.087 0.000 0.282 354 Y C 2.653 178.364 175.900 -0.315 0.000 1.165 354 Y CA 2.008 59.832 58.100 -0.460 0.000 1.148 354 Y CB -0.850 37.195 38.460 -0.691 0.000 0.972 354 Y HN 0.154 nan 8.280 nan 0.000 0.504 355 Q N 0.001 119.800 119.800 -0.001 0.000 2.124 355 Q HA -0.207 4.186 4.340 0.087 0.000 0.202 355 Q C 2.133 178.117 176.000 -0.026 0.000 0.977 355 Q CA 1.517 57.341 55.803 0.036 0.000 0.850 355 Q CB -0.451 28.340 28.738 0.088 0.000 0.901 355 Q HN 0.642 nan 8.270 nan 0.000 0.429 356 Q N -0.024 119.737 119.800 -0.065 0.000 2.123 356 Q HA -0.100 4.292 4.340 0.087 0.000 0.199 356 Q C 2.093 178.084 176.000 -0.015 0.000 0.966 356 Q CA 0.650 56.451 55.803 -0.004 0.000 0.845 356 Q CB -0.116 28.681 28.738 0.098 0.000 0.907 356 Q HN 0.191 nan 8.270 nan 0.000 0.439 357 L N 0.218 121.336 121.223 -0.174 0.000 2.042 357 L HA -0.203 4.189 4.340 0.087 0.000 0.210 357 L C 1.976 178.747 176.870 -0.165 0.000 1.076 357 L CA 1.744 56.509 54.840 -0.126 0.000 0.749 357 L CB -0.328 41.441 42.059 -0.485 0.000 0.893 357 L HN 0.208 nan 8.230 nan 0.000 0.432 358 M N -0.987 118.517 119.600 -0.160 0.000 2.159 358 M HA -0.174 4.358 4.480 0.087 0.000 0.263 358 M C 2.336 178.569 176.300 -0.111 0.000 1.063 358 M CA 1.578 56.815 55.300 -0.104 0.000 1.110 358 M CB -1.464 31.137 32.600 0.000 0.000 1.374 358 M HN 0.401 nan 8.290 nan 0.000 0.411 359 Q N 0.771 120.517 119.800 -0.091 0.000 2.119 359 Q HA -0.095 4.297 4.340 0.087 0.000 0.201 359 Q C 1.871 177.762 176.000 -0.181 0.000 0.972 359 Q CA 1.748 57.492 55.803 -0.099 0.000 0.847 359 Q CB -0.095 28.611 28.738 -0.054 0.000 0.903 359 Q HN 0.463 nan 8.270 nan 0.000 0.433 360 K N -0.424 119.827 120.400 -0.249 0.000 2.097 360 K HA -0.049 4.323 4.320 0.087 0.000 0.205 360 K C 2.024 178.212 176.600 -0.687 0.000 1.050 360 K CA 1.272 57.268 56.287 -0.484 0.000 0.938 360 K CB -0.106 32.054 32.500 -0.566 0.000 0.718 360 K HN 0.255 nan 8.250 nan 0.000 0.442 361 I N 0.761 121.019 120.570 -0.519 0.000 2.179 361 I HA -0.285 3.938 4.170 0.087 0.000 0.242 361 I C 2.408 178.301 176.117 -0.373 0.000 1.088 361 I CA 1.249 62.299 61.300 -0.416 0.000 1.357 361 I CB -0.171 37.663 38.000 -0.276 0.000 1.051 361 I HN 0.128 nan 8.210 nan 0.000 0.409 362 R N 0.598 120.940 120.500 -0.263 0.000 2.080 362 R HA -0.181 4.211 4.340 0.087 0.000 0.236 362 R C 1.977 178.177 176.300 -0.168 0.000 1.137 362 R CA 1.826 57.813 56.100 -0.188 0.000 0.943 362 R CB -0.470 29.758 30.300 -0.119 0.000 0.846 362 R HN 0.349 nan 8.270 nan 0.000 0.431 363 D N 0.131 120.427 120.400 -0.174 0.000 2.117 363 D HA -0.136 4.556 4.640 0.087 0.000 0.197 363 D C 2.080 178.308 176.300 -0.121 0.000 0.987 363 D CA 1.894 55.811 54.000 -0.138 0.000 0.829 363 D CB -0.304 40.409 40.800 -0.144 0.000 0.961 363 D HN 0.224 nan 8.370 nan 0.000 0.460 364 S N 0.219 115.820 115.700 -0.165 0.000 2.368 364 S HA -0.095 4.428 4.470 0.087 0.000 0.224 364 S C 2.264 176.882 174.600 0.029 0.000 1.029 364 S CA 0.517 58.687 58.200 -0.051 0.000 0.988 364 S CB -0.621 62.558 63.200 -0.035 0.000 0.838 364 S HN 0.236 nan 8.310 nan 0.000 0.462 365 I N 2.115 122.654 120.570 -0.051 0.000 2.226 365 I HA -0.137 4.085 4.170 0.087 0.000 0.245 365 I C 2.643 178.740 176.117 -0.033 0.000 1.100 365 I CA 1.293 62.566 61.300 -0.044 0.000 1.374 365 I CB -0.573 37.310 38.000 -0.194 0.000 1.057 365 I HN 0.289 nan 8.210 nan 0.000 0.413 366 S N 0.170 115.834 115.700 -0.061 0.000 2.440 366 S HA -0.180 4.343 4.470 0.087 0.000 0.238 366 S C 1.485 176.070 174.600 -0.025 0.000 1.010 366 S CA 1.231 59.403 58.200 -0.047 0.000 0.972 366 S CB -0.328 62.838 63.200 -0.057 0.000 0.774 366 S HN 0.517 nan 8.310 nan 0.000 0.501 367 E N -0.019 120.174 120.200 -0.012 0.000 2.501 367 E HA 0.289 4.691 4.350 0.087 0.000 0.201 367 E C 0.869 177.482 176.600 0.023 0.000 1.016 367 E CA 0.015 56.416 56.400 0.002 0.000 0.920 367 E CB 0.403 30.102 29.700 -0.002 0.000 1.023 367 E HN 0.429 nan 8.360 nan 0.000 0.474 368 G N 3.167 111.990 108.800 0.039 0.000 2.273 368 G HA2 -0.344 3.668 3.960 0.087 0.000 0.280 368 G HA3 -0.344 3.668 3.960 0.087 0.000 0.280 368 G C 0.554 175.500 174.900 0.076 0.000 1.047 368 G CA 0.873 46.008 45.100 0.058 0.000 0.869 368 G HN 0.438 nan 8.290 nan 0.000 0.502 369 R N -1.613 118.949 120.500 0.104 0.000 2.592 369 R HA 0.392 4.784 4.340 0.087 0.000 0.439 369 R C 1.308 177.722 176.300 0.189 0.000 0.995 369 R CA -0.078 56.090 56.100 0.112 0.000 1.141 369 R CB -0.204 30.147 30.300 0.085 0.000 1.495 369 R HN 0.275 nan 8.270 nan 0.000 0.579 370 F N 2.615 122.601 119.950 0.061 0.000 2.186 370 F HA -0.107 4.472 4.527 0.087 0.000 0.299 370 F C 2.313 178.201 175.800 0.147 0.000 1.090 370 F CA 1.720 59.785 58.000 0.108 0.000 1.307 370 F CB 0.025 39.057 39.000 0.054 0.000 1.019 370 F HN 0.181 nan 8.300 nan 0.000 0.489 371 S N -0.354 115.268 115.700 -0.129 0.000 2.383 371 S HA -0.261 4.262 4.470 0.087 0.000 0.227 371 S C 2.077 176.595 174.600 -0.136 0.000 1.026 371 S CA 1.284 59.347 58.200 -0.229 0.000 0.981 371 S CB -0.715 62.431 63.200 -0.090 0.000 0.818 371 S HN 0.534 nan 8.310 nan 0.000 0.472 372 Q N 0.690 120.473 119.800 -0.028 0.000 2.084 372 Q HA -0.035 4.357 4.340 0.087 0.000 0.202 372 Q C 1.767 177.778 176.000 0.019 0.000 0.978 372 Q CA 1.895 57.700 55.803 0.004 0.000 0.844 372 Q CB -0.987 27.776 28.738 0.041 0.000 0.898 372 Q HN 0.658 nan 8.270 nan 0.000 0.426 373 F N 0.351 120.268 119.950 -0.055 0.000 2.095 373 F HA -0.141 4.438 4.527 0.086 0.000 0.298 373 F C 1.919 177.700 175.800 -0.032 0.000 1.104 373 F CA 1.846 59.837 58.000 -0.016 0.000 1.232 373 F CB -0.714 38.321 39.000 0.059 0.000 0.987 373 F HN 0.140 nan 8.300 nan 0.000 0.475 374 A N -0.169 122.506 122.820 -0.243 0.000 1.933 374 A HA -0.253 4.119 4.320 0.087 0.000 0.218 374 A C 2.228 179.730 177.584 -0.136 0.000 1.175 374 A CA 1.742 53.611 52.037 -0.280 0.000 0.628 374 A CB -1.032 17.709 19.000 -0.433 0.000 0.814 374 A HN 0.650 nan 8.150 nan 0.000 0.444 375 Q N -0.318 119.406 119.800 -0.126 0.000 2.046 375 Q HA -0.221 4.171 4.340 0.087 0.000 0.200 375 Q C 1.317 177.287 176.000 -0.050 0.000 0.975 375 Q CA 1.868 57.637 55.803 -0.057 0.000 0.836 375 Q CB -0.167 28.542 28.738 -0.049 0.000 0.896 375 Q HN 0.580 nan 8.270 nan 0.000 0.428 376 D N 0.047 120.391 120.400 -0.093 0.000 2.117 376 D HA -0.170 4.522 4.640 0.087 0.000 0.197 376 D C 1.552 177.784 176.300 -0.114 0.000 0.987 376 D CA 0.984 54.929 54.000 -0.091 0.000 0.829 376 D CB -0.457 40.291 40.800 -0.088 0.000 0.961 376 D HN 0.306 nan 8.370 nan 0.000 0.460 377 F N 1.772 121.480 119.950 -0.404 0.000 2.095 377 F HA -0.162 4.417 4.527 0.086 0.000 0.298 377 F C 2.350 178.132 175.800 -0.030 0.000 1.104 377 F CA 1.496 59.298 58.000 -0.331 0.000 1.232 377 F CB -0.115 38.519 39.000 -0.610 0.000 0.987 377 F HN -0.222 nan 8.300 nan 0.000 0.475 378 R N 0.102 120.559 120.500 -0.072 0.000 2.073 378 R HA -0.111 4.281 4.340 0.087 0.000 0.234 378 R C 2.526 178.914 176.300 0.147 0.000 1.134 378 R CA 1.335 57.490 56.100 0.091 0.000 0.952 378 R CB -0.852 29.609 30.300 0.268 0.000 0.850 378 R HN 0.428 nan 8.270 nan 0.000 0.433 379 A N 0.680 123.534 122.820 0.055 0.000 1.933 379 A HA -0.198 4.174 4.320 0.087 0.000 0.218 379 A C 2.106 179.709 177.584 0.031 0.000 1.175 379 A CA 1.414 53.486 52.037 0.059 0.000 0.628 379 A CB -0.421 18.593 19.000 0.023 0.000 0.814 379 A HN 0.232 nan 8.150 nan 0.000 0.444 380 R N -2.452 118.028 120.500 -0.032 0.000 2.062 380 R HA -0.094 4.298 4.340 0.087 0.000 0.226 380 R C 2.083 178.327 176.300 -0.093 0.000 1.125 380 R CA 1.407 57.487 56.100 -0.033 0.000 0.966 380 R CB -0.429 29.870 30.300 -0.001 0.000 0.861 380 R HN 0.573 nan 8.270 nan 0.000 0.433 381 Y N -0.147 119.889 120.300 -0.440 0.000 2.256 381 Y HA -0.184 4.418 4.550 0.085 0.000 0.288 381 Y C 0.992 176.516 175.900 -0.627 0.000 1.155 381 Y CA 1.658 59.353 58.100 -0.676 0.000 1.203 381 Y CB 0.060 37.704 38.460 -1.361 0.000 0.980 381 Y HN 0.028 nan 8.280 nan 0.000 0.530 382 F N -0.684 119.229 119.950 -0.062 0.000 2.695 382 F HA 0.399 4.979 4.527 0.089 0.000 0.303 382 F C 1.435 177.196 175.800 -0.066 0.000 1.091 382 F CA -0.065 57.899 58.000 -0.060 0.000 1.300 382 F CB -0.828 38.173 39.000 0.001 0.000 1.071 382 F HN -0.020 nan 8.300 nan 0.000 0.578 383 A N 0.000 122.847 122.820 0.046 0.000 2.254 383 A HA 0.000 4.372 4.320 0.087 0.000 0.244 383 A CA 0.000 52.049 52.037 0.020 0.000 0.836 383 A CB 0.000 19.002 19.000 0.003 0.000 0.831 383 A HN 0.000 nan 8.150 nan 0.000 0.486