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 3cpg_1_A DATA FIRST_RESID 10 DATA SEQUENCE KNLANEVIDD ARAREITDGV HRVLDRIAAA EEQAGREAGS VRLLAATKTR DATA SEQUENCE DIGEIXAAID AGVRXIGENR PQEVTAKAEG LARRCAERGF SLGVXXXXXX DATA SEQUENCE AAAEHIPFHL IGQLQSNKIG KVLPVVDTIE SVDSIDLAEK ISRRAVARGI DATA SEQUENCE TVGVLLEVNE SGEESKSGCD PAHAIRIAQK IGTLDGIELQ GLXTIGAHVH DATA SEQUENCE DETVIRRGFS HLRKTRDLIL ASGEPGTDRC RELSXGXTGD XELAIAEGST DATA SEQUENCE IVRVGTAIF 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 10 K HA 0.000 nan 4.320 nan 0.000 0.191 10 K C 0.000 176.589 176.600 -0.019 0.000 0.988 10 K CA 0.000 56.276 56.287 -0.019 0.000 0.838 10 K CB 0.000 32.484 32.500 -0.027 0.000 1.064 11 N N 5.505 124.195 118.700 -0.017 0.000 2.415 11 N HA 0.139 4.879 4.740 -0.000 0.000 0.250 11 N C 0.668 176.166 175.510 -0.020 0.000 1.127 11 N CA -0.150 52.892 53.050 -0.014 0.000 0.945 11 N CB 0.401 38.882 38.487 -0.010 0.000 1.196 11 N HN 0.653 nan 8.380 nan 0.000 0.499 12 L N 2.024 123.235 121.223 -0.021 0.000 2.456 12 L HA -0.038 4.302 4.340 -0.000 0.000 0.224 12 L C 1.871 178.728 176.870 -0.021 0.000 1.148 12 L CA 0.640 55.463 54.840 -0.029 0.000 0.825 12 L CB -0.190 41.853 42.059 -0.027 0.000 0.937 12 L HN 0.502 nan 8.230 nan 0.000 0.450 13 A N -0.406 122.408 122.820 -0.010 0.000 2.251 13 A HA -0.051 4.269 4.320 -0.000 0.000 0.209 13 A C 0.904 178.484 177.584 -0.005 0.000 1.187 13 A CA -0.099 51.936 52.037 -0.003 0.000 0.823 13 A CB -0.609 18.392 19.000 0.003 0.000 0.846 13 A HN 0.424 nan 8.150 nan 0.000 0.486 14 N N 0.887 119.581 118.700 -0.011 0.000 2.412 14 N HA -0.011 4.729 4.740 -0.000 0.000 0.258 14 N C 0.500 176.005 175.510 -0.009 0.000 1.236 14 N CA 0.609 53.653 53.050 -0.009 0.000 0.882 14 N CB 0.395 38.874 38.487 -0.013 0.000 1.066 14 N HN 0.379 nan 8.380 nan 0.000 0.465 15 E N 1.377 121.575 120.200 -0.003 0.000 2.498 15 E HA 0.122 4.472 4.350 -0.000 0.000 0.203 15 E C -0.543 176.059 176.600 0.002 0.000 1.013 15 E CA 0.035 56.435 56.400 -0.000 0.000 0.927 15 E CB 0.799 30.502 29.700 0.005 0.000 1.012 15 E HN 0.269 nan 8.360 nan 0.000 0.482 16 V N 3.045 122.959 119.914 0.001 0.000 2.531 16 V HA 0.406 4.526 4.120 -0.000 0.000 0.301 16 V C -0.126 175.969 176.094 0.002 0.000 1.034 16 V CA -0.841 61.460 62.300 0.003 0.000 0.865 16 V CB 1.676 33.501 31.823 0.003 0.000 0.995 16 V HN 0.113 nan 8.190 nan 0.000 0.424 17 I N 0.779 121.352 120.570 0.005 0.000 2.957 17 I HA 0.812 4.982 4.170 -0.000 0.000 0.310 17 I C -0.365 175.755 176.117 0.006 0.000 1.063 17 I CA -0.995 60.309 61.300 0.006 0.000 1.033 17 I CB 2.130 40.136 38.000 0.011 0.000 1.230 17 I HN 0.671 nan 8.210 nan 0.000 0.447 18 D N 1.297 121.700 120.400 0.005 0.000 2.358 18 D HA 0.108 4.747 4.640 -0.000 0.000 0.244 18 D C 0.316 176.618 176.300 0.004 0.000 1.163 18 D CA -0.261 53.741 54.000 0.004 0.000 0.945 18 D CB 0.692 41.494 40.800 0.004 0.000 1.152 18 D HN 0.509 nan 8.370 nan 0.000 0.451 19 D N 0.467 120.869 120.400 0.003 0.000 2.116 19 D HA -0.217 4.423 4.640 -0.000 0.000 0.193 19 D C 2.062 178.362 176.300 -0.000 0.000 0.998 19 D CA 2.178 56.179 54.000 0.002 0.000 0.836 19 D CB -0.696 40.105 40.800 0.002 0.000 0.951 19 D HN 0.578 nan 8.370 nan 0.000 0.449 20 A N 0.729 123.549 122.820 0.001 0.000 1.902 20 A HA -0.207 4.112 4.320 -0.000 0.000 0.217 20 A C 2.201 179.785 177.584 -0.000 0.000 1.181 20 A CA 1.958 53.995 52.037 -0.000 0.000 0.623 20 A CB -0.446 18.555 19.000 0.001 0.000 0.818 20 A HN 0.091 nan 8.150 nan 0.000 0.443 21 R N 0.107 120.610 120.500 0.005 0.000 2.081 21 R HA 0.000 4.340 4.340 -0.000 0.000 0.235 21 R C 2.153 178.458 176.300 0.008 0.000 1.131 21 R CA 1.867 57.974 56.100 0.012 0.000 0.960 21 R CB -0.843 29.468 30.300 0.019 0.000 0.856 21 R HN 0.387 nan 8.270 nan 0.000 0.436 22 A N 0.605 123.427 122.820 0.003 0.000 1.933 22 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 22 A C 2.155 179.720 177.584 -0.031 0.000 1.175 22 A CA 1.551 53.583 52.037 -0.007 0.000 0.628 22 A CB -0.448 18.549 19.000 -0.005 0.000 0.814 22 A HN 0.359 nan 8.150 nan 0.000 0.444 23 R N -0.371 120.113 120.500 -0.026 0.000 2.075 23 R HA -0.115 4.225 4.340 -0.000 0.000 0.232 23 R C 2.104 178.371 176.300 -0.055 0.000 1.126 23 R CA 1.495 57.572 56.100 -0.039 0.000 0.963 23 R CB -0.356 29.932 30.300 -0.020 0.000 0.858 23 R HN 0.697 nan 8.270 nan 0.000 0.435 24 E N 0.688 120.866 120.200 -0.038 0.000 2.058 24 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 24 E C 2.056 178.609 176.600 -0.079 0.000 0.997 24 E CA 1.243 57.618 56.400 -0.041 0.000 0.801 24 E CB -0.167 29.525 29.700 -0.013 0.000 0.746 24 E HN 0.339 nan 8.360 nan 0.000 0.450 25 I N 1.013 121.537 120.570 -0.076 0.000 2.315 25 I HA -0.221 3.949 4.170 -0.000 0.000 0.248 25 I C 2.381 178.365 176.117 -0.222 0.000 1.117 25 I CA 1.036 62.252 61.300 -0.141 0.000 1.404 25 I CB -0.375 37.591 38.000 -0.056 0.000 1.071 25 I HN 0.103 nan 8.210 nan 0.000 0.419 26 T N 0.115 114.541 114.554 -0.214 0.000 2.746 26 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 26 T C 1.502 175.902 174.700 -0.501 0.000 1.039 26 T CA 1.472 63.349 62.100 -0.371 0.000 1.142 26 T CB -0.258 68.440 68.868 -0.284 0.000 0.866 26 T HN 0.298 nan 8.240 nan 0.000 0.444 27 D N 0.794 121.039 120.400 -0.258 0.000 2.144 27 D HA -0.004 4.636 4.640 -0.000 0.000 0.200 27 D C 2.352 178.578 176.300 -0.125 0.000 0.978 27 D CA 1.049 54.963 54.000 -0.143 0.000 0.833 27 D CB -0.711 40.052 40.800 -0.060 0.000 0.961 27 D HN 0.469 nan 8.370 nan 0.000 0.470 28 G N 0.836 109.540 108.800 -0.161 0.000 2.421 28 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 28 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 28 G C 1.872 176.671 174.900 -0.169 0.000 1.171 28 G CA 0.731 45.736 45.100 -0.158 0.000 0.775 28 G HN 0.230 nan 8.290 nan 0.000 0.543 29 V N 0.455 120.231 119.914 -0.230 0.000 2.343 29 V HA -0.207 3.913 4.120 -0.000 0.000 0.247 29 V C 2.420 178.499 176.094 -0.025 0.000 1.051 29 V CA 2.189 64.383 62.300 -0.177 0.000 1.036 29 V CB -0.866 30.830 31.823 -0.213 0.000 0.654 29 V HN 0.554 nan 8.190 nan 0.000 0.451 30 H N -0.477 118.544 119.070 -0.081 0.000 2.353 30 H HA -0.101 4.455 4.556 -0.000 0.000 0.300 30 H C 2.652 177.948 175.328 -0.055 0.000 1.090 30 H CA 1.295 57.308 56.048 -0.059 0.000 1.327 30 H CB 0.050 29.785 29.762 -0.046 0.000 1.383 30 H HN 0.287 nan 8.280 nan 0.000 0.508 31 R N 0.326 120.866 120.500 0.066 0.000 2.081 31 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 31 R C 2.395 178.692 176.300 -0.005 0.000 1.131 31 R CA 1.180 57.290 56.100 0.017 0.000 0.960 31 R CB -0.232 30.064 30.300 -0.007 0.000 0.856 31 R HN 0.147 nan 8.270 nan 0.000 0.436 32 V N 1.531 121.430 119.914 -0.025 0.000 2.358 32 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 32 V C 2.330 178.407 176.094 -0.028 0.000 1.047 32 V CA 1.531 63.808 62.300 -0.038 0.000 1.035 32 V CB -0.371 31.410 31.823 -0.069 0.000 0.658 32 V HN 0.291 nan 8.190 nan 0.000 0.452 33 L N -0.265 120.949 121.223 -0.014 0.000 2.083 33 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 33 L C 2.367 179.227 176.870 -0.018 0.000 1.083 33 L CA 1.521 56.353 54.840 -0.014 0.000 0.752 33 L CB -0.704 41.356 42.059 0.003 0.000 0.899 33 L HN 0.351 nan 8.230 nan 0.000 0.433 34 D N -0.093 120.300 120.400 -0.012 0.000 2.117 34 D HA -0.138 4.502 4.640 -0.000 0.000 0.198 34 D C 2.341 178.631 176.300 -0.016 0.000 0.982 34 D CA 1.030 55.021 54.000 -0.016 0.000 0.828 34 D CB -0.082 40.711 40.800 -0.012 0.000 0.967 34 D HN 0.235 nan 8.370 nan 0.000 0.464 35 R N 0.196 120.687 120.500 -0.016 0.000 2.081 35 R HA -0.024 4.316 4.340 -0.000 0.000 0.235 35 R C 2.549 178.836 176.300 -0.020 0.000 1.131 35 R CA 0.668 56.758 56.100 -0.016 0.000 0.960 35 R CB -0.238 30.052 30.300 -0.017 0.000 0.856 35 R HN 0.235 nan 8.270 nan 0.000 0.436 36 I N 0.516 121.070 120.570 -0.025 0.000 2.179 36 I HA -0.286 3.884 4.170 -0.000 0.000 0.242 36 I C 2.625 178.727 176.117 -0.026 0.000 1.088 36 I CA 1.342 62.623 61.300 -0.030 0.000 1.357 36 I CB -0.469 37.510 38.000 -0.035 0.000 1.051 36 I HN 0.210 nan 8.210 nan 0.000 0.409 37 A N 0.779 123.585 122.820 -0.024 0.000 1.908 37 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 37 A C 2.539 180.113 177.584 -0.018 0.000 1.181 37 A CA 1.999 54.023 52.037 -0.021 0.000 0.627 37 A CB -0.881 18.106 19.000 -0.022 0.000 0.818 37 A HN 0.450 nan 8.150 nan 0.000 0.445 38 A N -0.311 122.499 122.820 -0.016 0.000 1.933 38 A HA 0.179 4.499 4.320 -0.000 0.000 0.218 38 A C 2.475 180.052 177.584 -0.011 0.000 1.175 38 A CA 2.028 54.058 52.037 -0.012 0.000 0.628 38 A CB -0.910 18.084 19.000 -0.010 0.000 0.814 38 A HN 1.044 nan 8.150 nan 0.000 0.444 39 A N -0.107 122.705 122.820 -0.014 0.000 1.898 39 A HA -0.135 4.184 4.320 -0.000 0.000 0.216 39 A C 1.900 179.475 177.584 -0.015 0.000 1.181 39 A CA 1.533 53.562 52.037 -0.014 0.000 0.620 39 A CB -0.479 18.509 19.000 -0.020 0.000 0.819 39 A HN 0.633 nan 8.150 nan 0.000 0.442 40 E N -0.630 119.559 120.200 -0.018 0.000 2.077 40 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 40 E C 2.032 178.625 176.600 -0.012 0.000 0.989 40 E CA 1.296 57.685 56.400 -0.017 0.000 0.800 40 E CB -0.125 29.564 29.700 -0.019 0.000 0.746 40 E HN 0.711 nan 8.360 nan 0.000 0.452 41 E N 1.283 121.476 120.200 -0.011 0.000 2.058 41 E HA -0.273 4.077 4.350 -0.000 0.000 0.194 41 E C 2.065 178.662 176.600 -0.005 0.000 0.997 41 E CA 1.567 57.962 56.400 -0.008 0.000 0.801 41 E CB -0.095 29.599 29.700 -0.008 0.000 0.746 41 E HN 0.049 nan 8.360 nan 0.000 0.450 42 Q N -0.039 119.758 119.800 -0.004 0.000 2.124 42 Q HA 0.019 4.359 4.340 -0.000 0.000 0.202 42 Q C 1.651 177.652 176.000 0.000 0.000 0.977 42 Q CA 1.926 57.728 55.803 -0.001 0.000 0.850 42 Q CB -0.499 28.239 28.738 0.001 0.000 0.901 42 Q HN 0.320 nan 8.270 nan 0.000 0.429 43 A N -0.940 121.878 122.820 -0.002 0.000 2.251 43 A HA 0.430 4.750 4.320 -0.000 0.000 0.209 43 A C 1.300 178.883 177.584 -0.002 0.000 1.187 43 A CA 0.548 52.584 52.037 -0.001 0.000 0.823 43 A CB -0.730 18.267 19.000 -0.004 0.000 0.846 43 A HN 0.607 nan 8.150 nan 0.000 0.486 44 G N -0.073 108.725 108.800 -0.003 0.000 2.273 44 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.280 44 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.280 44 G C 0.103 175.000 174.900 -0.005 0.000 1.047 44 G CA 0.462 45.560 45.100 -0.003 0.000 0.869 44 G HN 0.664 nan 8.290 nan 0.000 0.502 45 R N -0.101 120.395 120.500 -0.007 0.000 2.532 45 R HA 0.428 4.768 4.340 -0.000 0.000 0.295 45 R C 0.335 176.629 176.300 -0.009 0.000 0.968 45 R CA -0.839 55.255 56.100 -0.009 0.000 0.916 45 R CB 1.378 31.671 30.300 -0.013 0.000 1.124 45 R HN 0.442 nan 8.270 nan 0.000 0.463 46 E N 1.233 121.428 120.200 -0.008 0.000 2.442 46 E HA 0.038 4.388 4.350 -0.000 0.000 0.262 46 E C -0.201 176.393 176.600 -0.010 0.000 1.004 46 E CA -0.135 56.261 56.400 -0.008 0.000 0.928 46 E CB 0.697 30.394 29.700 -0.006 0.000 0.937 46 E HN 0.545 nan 8.360 nan 0.000 0.446 47 A N 1.905 124.719 122.820 -0.010 0.000 2.511 47 A HA 0.371 4.691 4.320 -0.000 0.000 0.242 47 A C 1.251 178.828 177.584 -0.011 0.000 1.069 47 A CA 0.643 52.672 52.037 -0.012 0.000 0.763 47 A CB -0.189 18.803 19.000 -0.012 0.000 1.001 47 A HN 0.835 nan 8.150 nan 0.000 0.498 48 G N 1.269 110.061 108.800 -0.014 0.000 2.175 48 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.244 48 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.244 48 G C 1.187 176.079 174.900 -0.013 0.000 0.982 48 G CA 0.799 45.891 45.100 -0.013 0.000 0.641 48 G HN 1.046 nan 8.290 nan 0.000 0.527 49 S N -0.957 114.734 115.700 -0.015 0.000 2.423 49 S HA 0.197 4.667 4.470 -0.000 0.000 0.231 49 S C 1.069 175.657 174.600 -0.021 0.000 1.014 49 S CA 1.231 59.422 58.200 -0.015 0.000 0.965 49 S CB 0.255 63.446 63.200 -0.016 0.000 0.785 49 S HN 0.640 nan 8.310 nan 0.000 0.495 50 V N 2.377 122.274 119.914 -0.027 0.000 2.459 50 V HA 0.409 4.529 4.120 -0.000 0.000 0.295 50 V C 0.030 176.101 176.094 -0.037 0.000 1.029 50 V CA -0.773 61.505 62.300 -0.037 0.000 0.874 50 V CB 1.585 33.380 31.823 -0.046 0.000 0.985 50 V HN 0.167 nan 8.190 nan 0.000 0.438 51 R N 2.933 123.409 120.500 -0.040 0.000 2.474 51 R HA 0.596 4.936 4.340 -0.000 0.000 0.295 51 R C -1.028 175.235 176.300 -0.062 0.000 0.980 51 R CA -0.934 55.137 56.100 -0.048 0.000 0.934 51 R CB 1.967 32.240 30.300 -0.044 0.000 1.101 51 R HN 0.532 nan 8.270 nan 0.000 0.469 52 L N 4.167 125.347 121.223 -0.071 0.000 2.264 52 L HA 0.392 4.732 4.340 -0.000 0.000 0.289 52 L C -1.067 175.743 176.870 -0.100 0.000 1.044 52 L CA -0.090 54.703 54.840 -0.079 0.000 0.807 52 L CB 0.987 43.000 42.059 -0.077 0.000 1.192 52 L HN 0.540 nan 8.230 nan 0.000 0.425 53 L N 5.724 126.891 121.223 -0.094 0.000 2.305 53 L HA 0.813 5.153 4.340 -0.000 0.000 0.284 53 L C -0.273 176.556 176.870 -0.068 0.000 1.013 53 L CA -0.500 54.274 54.840 -0.111 0.000 0.819 53 L CB 1.376 43.363 42.059 -0.119 0.000 1.227 53 L HN 0.846 nan 8.230 nan 0.000 0.417 54 A N 4.647 127.430 122.820 -0.062 0.000 2.320 54 A HA 0.680 5.000 4.320 -0.000 0.000 0.287 54 A C 0.215 177.846 177.584 0.077 0.000 1.181 54 A CA -0.177 51.866 52.037 0.010 0.000 0.831 54 A CB 0.693 19.706 19.000 0.023 0.000 1.102 54 A HN 0.932 nan 8.150 nan 0.000 0.513 55 A N 3.019 125.914 122.820 0.125 0.000 2.376 55 A HA 0.476 4.796 4.320 -0.000 0.000 0.298 55 A C 1.154 178.827 177.584 0.148 0.000 1.271 55 A CA 0.279 52.383 52.037 0.111 0.000 0.926 55 A CB -0.519 18.539 19.000 0.097 0.000 1.141 55 A HN 1.299 nan 8.150 nan 0.000 0.539 56 T N -0.064 114.516 114.554 0.042 0.000 3.163 56 T HA 0.134 4.484 4.350 -0.000 0.000 0.252 56 T C 0.532 175.130 174.700 -0.172 0.000 1.056 56 T CA -0.294 61.734 62.100 -0.121 0.000 0.947 56 T CB -0.740 68.051 68.868 -0.127 0.000 1.016 56 T HN 0.766 nan 8.240 nan 0.000 0.554 57 K N 2.088 122.442 120.400 -0.076 0.000 2.489 57 K HA 0.170 4.490 4.320 -0.000 0.000 0.278 57 K C 0.946 177.474 176.600 -0.120 0.000 1.000 57 K CA 0.683 56.932 56.287 -0.063 0.000 1.012 57 K CB -0.331 32.160 32.500 -0.016 0.000 0.903 57 K HN 0.315 nan 8.250 nan 0.000 0.485 58 T N -1.170 113.323 114.554 -0.101 0.000 7.578 58 T HA -0.201 4.149 4.350 -0.000 0.000 0.299 58 T C -0.267 174.331 174.700 -0.169 0.000 2.097 58 T CA 1.045 63.081 62.100 -0.107 0.000 3.248 58 T CB -1.280 67.539 68.868 -0.081 0.000 2.014 58 T HN 0.772 nan 8.240 nan 0.000 1.198 59 R N 2.567 122.908 120.500 -0.266 0.000 2.486 59 R HA 0.662 5.002 4.340 -0.000 0.000 0.286 59 R C 0.303 176.469 176.300 -0.224 0.000 0.999 59 R CA -0.227 55.657 56.100 -0.359 0.000 0.993 59 R CB 0.822 30.652 30.300 -0.784 0.000 1.084 59 R HN 0.776 nan 8.270 nan 0.000 0.487 60 D N 0.184 120.485 120.400 -0.165 0.000 2.423 60 D HA 0.142 4.782 4.640 -0.000 0.000 0.255 60 D C 1.321 177.570 176.300 -0.085 0.000 1.174 60 D CA -0.660 53.282 54.000 -0.097 0.000 1.008 60 D CB 0.689 41.452 40.800 -0.060 0.000 1.101 60 D HN 0.396 nan 8.370 nan 0.000 0.516 61 I N -0.007 120.533 120.570 -0.050 0.000 2.208 61 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 61 I C 2.362 178.465 176.117 -0.023 0.000 1.097 61 I CA 1.773 63.052 61.300 -0.035 0.000 1.363 61 I CB -0.618 37.373 38.000 -0.015 0.000 1.051 61 I HN 0.675 nan 8.210 nan 0.000 0.413 62 G N 0.319 109.110 108.800 -0.016 0.000 2.418 62 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.217 62 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.217 62 G C 1.520 176.428 174.900 0.014 0.000 1.158 62 G CA 0.605 45.705 45.100 -0.001 0.000 0.771 62 G HN 0.420 nan 8.290 nan 0.000 0.545 63 E N -0.004 120.199 120.200 0.005 0.000 2.051 63 E HA -0.010 4.340 4.350 -0.000 0.000 0.192 63 E C 1.248 177.937 176.600 0.150 0.000 0.991 63 E CA 0.097 56.535 56.400 0.063 0.000 0.799 63 E CB -0.077 29.600 29.700 -0.038 0.000 0.748 63 E HN 0.421 nan 8.360 nan 0.000 0.449 67 A N 0.576 123.397 122.820 0.002 0.000 1.898 67 A HA 0.101 4.421 4.320 -0.000 0.000 0.216 67 A C 1.925 179.458 177.584 -0.085 0.000 1.181 67 A CA 1.699 53.689 52.037 -0.080 0.000 0.620 67 A CB -0.649 18.316 19.000 -0.058 0.000 0.819 67 A HN 0.567 nan 8.150 nan 0.000 0.442 68 I N -0.094 120.436 120.570 -0.067 0.000 2.252 68 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 68 I C 1.637 177.723 176.117 -0.051 0.000 1.102 68 I CA 1.361 62.591 61.300 -0.116 0.000 1.385 68 I CB -0.348 37.562 38.000 -0.150 0.000 1.064 68 I HN 0.241 nan 8.210 nan 0.000 0.414 69 D N 0.955 121.359 120.400 0.006 0.000 2.218 69 D HA -0.108 4.532 4.640 -0.000 0.000 0.204 69 D C 2.031 178.355 176.300 0.039 0.000 0.976 69 D CA 1.263 55.295 54.000 0.054 0.000 0.853 69 D CB 0.030 40.858 40.800 0.047 0.000 0.939 69 D HN 0.355 nan 8.370 nan 0.000 0.481 70 A N -0.612 122.200 122.820 -0.013 0.000 2.208 70 A HA 0.415 4.735 4.320 -0.000 0.000 0.209 70 A C 1.738 179.361 177.584 0.064 0.000 1.161 70 A CA 1.215 53.243 52.037 -0.015 0.000 0.782 70 A CB 0.262 19.142 19.000 -0.199 0.000 0.816 70 A HN 0.279 nan 8.150 nan 0.000 0.477 71 G N -2.184 106.624 108.800 0.013 0.000 2.485 71 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.181 71 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.181 71 G C 0.080 174.940 174.900 -0.067 0.000 0.999 71 G CA -0.053 45.050 45.100 0.006 0.000 0.721 71 G HN 0.492 nan 8.290 nan 0.000 0.486 72 V N 3.186 123.034 119.914 -0.109 0.000 2.585 72 V HA 0.541 4.661 4.120 -0.000 0.000 0.296 72 V C 0.729 176.685 176.094 -0.230 0.000 1.035 72 V CA 0.111 62.321 62.300 -0.151 0.000 1.084 72 V CB 1.077 32.810 31.823 -0.150 0.000 0.953 72 V HN 0.362 nan 8.190 nan 0.000 0.483 76 G N 2.574 111.372 108.800 -0.003 0.000 2.732 76 G HA2 0.616 4.576 3.960 -0.000 0.000 0.295 76 G HA3 0.616 4.576 3.960 -0.000 0.000 0.295 76 G C -1.522 173.464 174.900 0.144 0.000 1.456 76 G CA -0.347 44.836 45.100 0.138 0.000 1.050 76 G HN 0.592 nan 8.290 nan 0.000 0.525 77 E N 0.952 121.296 120.200 0.241 0.000 2.222 77 E HA 0.271 4.621 4.350 -0.000 0.000 0.272 77 E C 0.456 177.128 176.600 0.121 0.000 0.982 77 E CA -0.777 55.729 56.400 0.177 0.000 0.842 77 E CB 2.353 32.210 29.700 0.261 0.000 1.144 77 E HN 0.543 nan 8.360 nan 0.000 0.397 78 N N 0.861 119.607 118.700 0.077 0.000 2.305 78 N HA 0.010 4.749 4.740 -0.000 0.000 0.179 78 N C -0.084 175.453 175.510 0.045 0.000 1.019 78 N CA 0.566 53.651 53.050 0.058 0.000 0.869 78 N CB 0.546 39.058 38.487 0.042 0.000 1.000 78 N HN 0.159 nan 8.380 nan 0.000 0.431 79 R N 0.803 121.326 120.500 0.038 0.000 2.393 79 R HA 0.250 4.590 4.340 -0.000 0.000 0.310 79 R C -1.897 174.416 176.300 0.021 0.000 0.968 79 R CA -1.676 54.438 56.100 0.024 0.000 0.867 79 R CB 1.565 31.875 30.300 0.016 0.000 1.124 79 R HN -0.039 nan 8.270 nan 0.000 0.450 80 P HA -0.184 nan 4.420 nan 0.000 0.218 80 P C 0.537 177.835 177.300 -0.004 0.000 1.148 80 P CA 1.272 64.366 63.100 -0.009 0.000 0.822 80 P CB 0.372 32.062 31.700 -0.016 0.000 0.784 81 Q N -0.392 119.410 119.800 0.003 0.000 2.170 81 Q HA -0.153 4.186 4.340 -0.000 0.000 0.203 81 Q C 1.964 177.972 176.000 0.013 0.000 0.976 81 Q CA 1.307 57.113 55.803 0.004 0.000 0.858 81 Q CB -0.737 28.003 28.738 0.003 0.000 0.907 81 Q HN 0.424 nan 8.270 nan 0.000 0.433 82 E N -0.168 120.046 120.200 0.023 0.000 2.158 82 E HA -0.084 4.266 4.350 -0.000 0.000 0.191 82 E C 1.935 178.579 176.600 0.073 0.000 0.982 82 E CA 0.804 57.226 56.400 0.037 0.000 0.823 82 E CB 0.143 29.863 29.700 0.033 0.000 0.766 82 E HN 0.145 nan 8.360 nan 0.000 0.468 83 V N 1.645 121.600 119.914 0.068 0.000 2.295 83 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 83 V C 2.803 178.923 176.094 0.043 0.000 1.049 83 V CA 2.334 64.677 62.300 0.071 0.000 1.024 83 V CB -0.973 30.802 31.823 -0.080 0.000 0.648 83 V HN 0.497 nan 8.190 nan 0.000 0.447 84 T N -0.980 113.580 114.554 0.009 0.000 2.788 84 T HA -0.128 4.222 4.350 -0.000 0.000 0.268 84 T C 1.880 176.596 174.700 0.027 0.000 1.044 84 T CA 1.515 63.619 62.100 0.008 0.000 1.139 84 T CB -0.457 68.409 68.868 -0.003 0.000 0.867 84 T HN 0.456 nan 8.240 nan 0.000 0.454 85 A N 1.839 124.678 122.820 0.031 0.000 1.969 85 A HA 0.073 4.392 4.320 -0.000 0.000 0.218 85 A C 2.336 179.945 177.584 0.041 0.000 1.169 85 A CA 1.296 53.351 52.037 0.029 0.000 0.635 85 A CB -0.338 18.674 19.000 0.019 0.000 0.810 85 A HN 0.599 nan 8.150 nan 0.000 0.445 86 K N -1.018 119.424 120.400 0.070 0.000 2.367 86 K HA 0.354 4.674 4.320 -0.000 0.000 0.195 86 K C 2.075 178.752 176.600 0.129 0.000 1.060 86 K CA 0.498 56.834 56.287 0.081 0.000 1.022 86 K CB 0.099 32.641 32.500 0.070 0.000 0.894 86 K HN 0.342 nan 8.250 nan 0.000 0.540 87 A N 2.204 125.129 122.820 0.175 0.000 1.884 87 A HA -0.310 4.010 4.320 -0.000 0.000 0.219 87 A C 2.097 179.769 177.584 0.146 0.000 1.197 87 A CA 2.092 54.263 52.037 0.222 0.000 0.637 87 A CB -0.544 18.527 19.000 0.117 0.000 0.827 87 A HN 0.411 nan 8.150 nan 0.000 0.450 88 E N -0.987 119.266 120.200 0.088 0.000 2.038 88 E HA -0.129 4.221 4.350 -0.000 0.000 0.195 88 E C 2.134 178.771 176.600 0.062 0.000 1.000 88 E CA 1.207 57.647 56.400 0.066 0.000 0.803 88 E CB -0.491 29.235 29.700 0.044 0.000 0.750 88 E HN 0.519 nan 8.360 nan 0.000 0.448 89 G N 0.997 109.828 108.800 0.052 0.000 2.418 89 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 89 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 89 G C 1.597 176.521 174.900 0.041 0.000 1.158 89 G CA 0.714 45.837 45.100 0.039 0.000 0.771 89 G HN 0.204 nan 8.290 nan 0.000 0.545 90 L N 0.657 121.908 121.223 0.047 0.000 2.046 90 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 90 L C 3.429 180.328 176.870 0.048 0.000 1.077 90 L CA 1.103 55.957 54.840 0.024 0.000 0.747 90 L CB -0.391 41.663 42.059 -0.009 0.000 0.896 90 L HN 0.317 nan 8.230 nan 0.000 0.432 91 A N -0.220 122.653 122.820 0.088 0.000 1.902 91 A HA -0.245 4.074 4.320 -0.000 0.000 0.217 91 A C 2.445 180.074 177.584 0.076 0.000 1.181 91 A CA 1.730 53.825 52.037 0.097 0.000 0.623 91 A CB -0.573 18.493 19.000 0.110 0.000 0.818 91 A HN 0.327 nan 8.150 nan 0.000 0.443 92 R N -0.881 119.656 120.500 0.061 0.000 2.073 92 R HA -0.128 4.212 4.340 -0.000 0.000 0.234 92 R C 2.379 178.708 176.300 0.049 0.000 1.134 92 R CA 1.284 57.414 56.100 0.049 0.000 0.952 92 R CB -0.232 30.091 30.300 0.038 0.000 0.850 92 R HN 0.337 nan 8.270 nan 0.000 0.433 93 R N 0.143 120.671 120.500 0.047 0.000 2.091 93 R HA -0.130 4.210 4.340 -0.000 0.000 0.238 93 R C 2.346 178.693 176.300 0.079 0.000 1.136 93 R CA 1.397 57.526 56.100 0.049 0.000 0.959 93 R CB -1.087 29.236 30.300 0.037 0.000 0.856 93 R HN 0.381 nan 8.270 nan 0.000 0.437 94 C N 0.124 119.482 119.300 0.097 0.000 2.440 94 C HA 0.005 4.465 4.460 -0.000 0.000 0.278 94 C C 2.894 177.984 174.990 0.168 0.000 1.295 94 C CA 0.571 59.698 59.018 0.181 0.000 1.738 94 C CB -1.024 26.803 27.740 0.145 0.000 1.987 94 C HN 0.548 nan 8.230 nan 0.000 0.492 95 A N 0.685 123.566 122.820 0.100 0.000 1.902 95 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 95 A C 1.962 179.555 177.584 0.015 0.000 1.181 95 A CA 1.765 53.838 52.037 0.061 0.000 0.623 95 A CB -0.585 18.447 19.000 0.053 0.000 0.818 95 A HN 0.701 nan 8.150 nan 0.000 0.443 96 E N -0.734 119.479 120.200 0.020 0.000 2.153 96 E HA -0.133 4.217 4.350 -0.000 0.000 0.194 96 E C 1.688 178.267 176.600 -0.036 0.000 0.988 96 E CA 0.680 57.078 56.400 -0.003 0.000 0.811 96 E CB -0.053 29.654 29.700 0.011 0.000 0.746 96 E HN 0.263 nan 8.360 nan 0.000 0.466 97 R N -0.335 120.149 120.500 -0.027 0.000 2.320 97 R HA 0.062 4.402 4.340 -0.000 0.000 0.211 97 R C 0.873 176.908 176.300 -0.441 0.000 0.931 97 R CA 0.692 56.726 56.100 -0.111 0.000 1.071 97 R CB 0.313 30.672 30.300 0.098 0.000 1.025 97 R HN 0.306 nan 8.270 nan 0.000 0.495 98 G N 0.813 109.421 108.800 -0.319 0.000 2.137 98 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.237 98 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.237 98 G C -0.276 174.341 174.900 -0.472 0.000 1.002 98 G CA -0.132 44.732 45.100 -0.394 0.000 0.702 98 G HN 0.217 nan 8.290 nan 0.000 0.515 99 F N 1.027 120.985 119.950 0.014 0.000 2.546 99 F HA 0.731 5.258 4.527 -0.000 0.000 0.320 99 F C 0.741 176.559 175.800 0.030 0.000 1.076 99 F CA -0.794 57.214 58.000 0.014 0.000 0.928 99 F CB 2.072 41.062 39.000 -0.015 0.000 1.189 99 F HN 0.264 nan 8.300 nan 0.000 0.465 100 S N 2.194 118.058 115.700 0.273 0.000 2.578 100 S HA 0.797 5.267 4.470 -0.000 0.000 0.283 100 S C -1.160 173.529 174.600 0.149 0.000 1.195 100 S CA -0.651 57.685 58.200 0.228 0.000 1.050 100 S CB 1.766 65.147 63.200 0.301 0.000 1.012 100 S HN 0.618 nan 8.310 nan 0.000 0.511 101 L N 2.749 124.056 121.223 0.139 0.000 2.381 101 L HA 0.722 5.062 4.340 -0.000 0.000 0.274 101 L C 0.678 177.673 176.870 0.208 0.000 0.988 101 L CA 1.132 56.014 54.840 0.070 0.000 0.824 101 L CB 0.828 42.940 42.059 0.087 0.000 1.263 101 L HN 1.234 nan 8.230 nan 0.000 0.410 102 G N 3.447 112.380 108.800 0.222 0.000 2.614 102 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.303 102 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.303 102 G C -0.009 175.094 174.900 0.338 0.000 1.270 102 G CA 0.780 46.088 45.100 0.346 0.000 0.988 102 G HN 1.615 nan 8.290 nan 0.000 0.551 111 A N 0.406 123.238 122.820 0.020 0.000 2.307 111 A HA 0.682 5.002 4.320 -0.000 0.000 0.218 111 A C 1.109 178.713 177.584 0.032 0.000 1.228 111 A CA 0.907 52.958 52.037 0.023 0.000 0.857 111 A CB -0.771 18.236 19.000 0.012 0.000 0.897 111 A HN 1.671 nan 8.150 nan 0.000 0.495 112 A N 0.515 123.357 122.820 0.038 0.000 2.477 112 A HA 0.344 4.663 4.320 -0.000 0.000 0.246 112 A C 0.381 178.040 177.584 0.124 0.000 1.078 112 A CA -0.183 51.883 52.037 0.047 0.000 0.770 112 A CB -0.066 18.962 19.000 0.046 0.000 1.011 112 A HN 0.588 nan 8.150 nan 0.000 0.494 113 E N 1.440 121.742 120.200 0.170 0.000 2.392 113 E HA 0.019 4.369 4.350 -0.000 0.000 0.264 113 E C -0.228 176.568 176.600 0.327 0.000 1.024 113 E CA -0.134 56.421 56.400 0.259 0.000 0.903 113 E CB 0.311 30.220 29.700 0.348 0.000 0.963 113 E HN 0.771 nan 8.360 nan 0.000 0.432 114 H N 5.252 124.410 119.070 0.147 0.000 2.489 114 H HA 0.290 4.846 4.556 -0.000 0.000 0.322 114 H C -0.717 174.647 175.328 0.059 0.000 1.091 114 H CA -0.636 55.481 56.048 0.115 0.000 1.291 114 H CB 0.676 30.490 29.762 0.087 0.000 1.436 114 H HN 0.465 nan 8.280 nan 0.000 0.480 115 I N 8.032 128.282 120.570 -0.534 0.000 2.328 115 I HA 0.196 4.366 4.170 -0.000 0.000 0.287 115 I C -2.304 173.470 176.117 -0.572 0.000 1.012 115 I CA -2.073 58.947 61.300 -0.467 0.000 1.195 115 I CB 1.701 39.463 38.000 -0.396 0.000 1.350 115 I HN 0.399 nan 8.210 nan 0.000 0.464 116 P HA 0.027 nan 4.420 nan 0.000 0.268 116 P C -0.963 176.386 177.300 0.082 0.000 1.205 116 P CA 0.241 63.332 63.100 -0.015 0.000 0.771 116 P CB 0.351 32.127 31.700 0.126 0.000 0.858 117 F N 3.631 123.652 119.950 0.118 0.000 2.430 117 F HA 0.321 4.848 4.527 -0.000 0.000 0.362 117 F C 0.117 176.074 175.800 0.261 0.000 1.103 117 F CA -0.642 57.418 58.000 0.100 0.000 1.045 117 F CB 0.563 39.594 39.000 0.052 0.000 1.276 117 F HN 0.382 nan 8.300 nan 0.000 0.444 118 H N 4.554 123.852 119.070 0.381 0.000 2.525 118 H HA 0.408 4.964 4.556 0.000 0.000 0.340 118 H C -1.151 174.284 175.328 0.178 0.000 1.168 118 H CA -1.271 54.893 56.048 0.194 0.000 1.247 118 H CB 2.884 32.719 29.762 0.121 0.000 1.568 118 H HN 0.461 nan 8.280 nan 0.000 0.536 119 L N 3.221 124.558 121.223 0.189 0.000 2.287 119 L HA 0.214 4.554 4.340 -0.000 0.000 0.287 119 L C 0.341 177.283 176.870 0.119 0.000 1.022 119 L CA -0.062 54.845 54.840 0.113 0.000 0.814 119 L CB 0.512 42.585 42.059 0.023 0.000 1.217 119 L HN 0.685 nan 8.230 nan 0.000 0.420 120 I N 1.407 122.049 120.570 0.121 0.000 4.154 120 I HA 0.532 4.702 4.170 -0.000 0.000 0.334 120 I C 0.679 176.842 176.117 0.076 0.000 1.371 120 I CA -0.235 61.128 61.300 0.105 0.000 1.110 120 I CB 0.299 38.367 38.000 0.114 0.000 1.085 120 I HN 0.597 nan 8.210 nan 0.000 0.398 121 G N 1.118 109.956 108.800 0.065 0.000 2.488 121 G HA2 0.408 4.368 3.960 -0.000 0.000 0.318 121 G HA3 0.408 4.368 3.960 -0.000 0.000 0.318 121 G C -0.597 174.325 174.900 0.038 0.000 1.188 121 G CA -0.408 44.722 45.100 0.050 0.000 0.944 121 G HN 0.090 nan 8.290 nan 0.000 0.495 122 Q N -0.672 119.147 119.800 0.031 0.000 2.330 122 Q HA 0.100 4.440 4.340 -0.000 0.000 0.279 122 Q C -0.491 175.518 176.000 0.015 0.000 1.024 122 Q CA -0.223 55.593 55.803 0.022 0.000 0.900 122 Q CB 1.645 30.395 28.738 0.020 0.000 1.221 122 Q HN 0.321 nan 8.270 nan 0.000 0.396 123 L N 3.003 124.231 121.223 0.009 0.000 2.277 123 L HA 0.220 4.560 4.340 -0.000 0.000 0.284 123 L C -0.110 176.759 176.870 -0.001 0.000 1.028 123 L CA -0.072 54.769 54.840 0.001 0.000 0.835 123 L CB 1.250 43.307 42.059 -0.004 0.000 1.215 123 L HN 0.570 nan 8.230 nan 0.000 0.425 124 Q N 2.388 122.187 119.800 -0.002 0.000 2.337 124 Q HA 0.097 4.437 4.340 -0.000 0.000 0.270 124 Q C 0.953 176.949 176.000 -0.006 0.000 1.002 124 Q CA 0.372 56.174 55.803 -0.003 0.000 0.888 124 Q CB 1.184 29.921 28.738 -0.002 0.000 1.222 124 Q HN 0.905 nan 8.270 nan 0.000 0.400 125 S N 2.795 118.492 115.700 -0.006 0.000 2.374 125 S HA -0.204 4.266 4.470 -0.000 0.000 0.227 125 S C 1.241 175.836 174.600 -0.009 0.000 1.037 125 S CA 1.654 59.849 58.200 -0.007 0.000 1.024 125 S CB -0.269 62.927 63.200 -0.006 0.000 0.861 125 S HN 0.871 nan 8.310 nan 0.000 0.456 126 N N 0.694 119.389 118.700 -0.008 0.000 2.515 126 N HA -0.028 4.712 4.740 -0.000 0.000 0.191 126 N C 0.619 176.123 175.510 -0.010 0.000 1.182 126 N CA 0.417 53.462 53.050 -0.008 0.000 0.879 126 N CB -0.049 38.434 38.487 -0.007 0.000 0.984 126 N HN 0.229 nan 8.380 nan 0.000 0.453 127 K N 0.193 120.586 120.400 -0.012 0.000 2.374 127 K HA 0.302 4.622 4.320 -0.000 0.000 0.202 127 K C 1.603 178.190 176.600 -0.022 0.000 1.040 127 K CA -0.257 56.021 56.287 -0.015 0.000 1.085 127 K CB 0.509 33.001 32.500 -0.013 0.000 0.873 127 K HN 0.211 nan 8.250 nan 0.000 0.539 128 I N 0.738 121.296 120.570 -0.020 0.000 2.163 128 I HA -0.229 3.941 4.170 -0.000 0.000 0.243 128 I C 2.270 178.369 176.117 -0.030 0.000 1.085 128 I CA 1.775 63.060 61.300 -0.025 0.000 1.347 128 I CB -0.615 37.372 38.000 -0.021 0.000 1.044 128 I HN 0.182 nan 8.210 nan 0.000 0.408 129 G N 0.816 109.602 108.800 -0.024 0.000 2.479 129 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.220 129 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.220 129 G C 1.703 176.584 174.900 -0.030 0.000 1.115 129 G CA 0.476 45.562 45.100 -0.025 0.000 0.757 129 G HN 0.218 nan 8.290 nan 0.000 0.560 130 K N 0.322 120.703 120.400 -0.032 0.000 2.155 130 K HA 0.012 4.332 4.320 -0.000 0.000 0.203 130 K C 2.565 179.129 176.600 -0.060 0.000 1.052 130 K CA 1.296 57.561 56.287 -0.037 0.000 0.948 130 K CB -0.249 32.232 32.500 -0.031 0.000 0.728 130 K HN 0.487 nan 8.250 nan 0.000 0.448 131 V N -2.319 117.553 119.914 -0.069 0.000 3.307 131 V HA 0.085 4.205 4.120 -0.000 0.000 0.253 131 V C 1.984 178.013 176.094 -0.109 0.000 1.149 131 V CA 0.338 62.572 62.300 -0.109 0.000 1.112 131 V CB -0.578 31.180 31.823 -0.108 0.000 0.777 131 V HN 0.001 nan 8.190 nan 0.000 0.464 132 L N 0.390 121.570 121.223 -0.072 0.000 2.127 132 L HA -0.027 4.313 4.340 -0.000 0.000 0.211 132 L C -0.138 176.698 176.870 -0.057 0.000 1.089 132 L CA 1.674 56.478 54.840 -0.059 0.000 0.757 132 L CB -1.567 40.468 42.059 -0.040 0.000 0.899 132 L HN 0.410 nan 8.230 nan 0.000 0.434 133 P HA -0.019 nan 4.420 nan 0.000 0.241 133 P C 1.262 178.529 177.300 -0.054 0.000 1.191 133 P CA 0.659 63.733 63.100 -0.042 0.000 0.771 133 P CB 0.443 32.124 31.700 -0.032 0.000 0.929 134 V N -1.832 118.014 119.914 -0.113 0.000 3.054 134 V HA 0.052 4.172 4.120 -0.000 0.000 0.227 134 V C 0.998 176.947 176.094 -0.241 0.000 1.252 134 V CA 0.182 62.373 62.300 -0.182 0.000 1.279 134 V CB -0.089 31.541 31.823 -0.321 0.000 1.118 134 V HN -0.154 nan 8.190 nan 0.000 0.504 135 V N 1.015 120.742 119.914 -0.313 0.000 2.614 135 V HA 0.293 4.412 4.120 -0.000 0.000 0.291 135 V C 0.716 176.775 176.094 -0.058 0.000 1.049 135 V CA 0.252 62.417 62.300 -0.226 0.000 1.038 135 V CB 0.872 32.559 31.823 -0.227 0.000 0.980 135 V HN 0.644 nan 8.190 nan 0.000 0.481 136 D N 2.175 122.602 120.400 0.044 0.000 2.346 136 D HA 0.147 4.787 4.640 -0.000 0.000 0.206 136 D C 0.539 176.801 176.300 -0.064 0.000 1.001 136 D CA 0.424 54.450 54.000 0.042 0.000 0.871 136 D CB 0.064 40.963 40.800 0.166 0.000 0.943 136 D HN 0.655 nan 8.370 nan 0.000 0.518 137 T N 0.255 114.698 114.554 -0.184 0.000 2.971 137 T HA 0.466 4.816 4.350 -0.000 0.000 0.304 137 T C -0.612 173.923 174.700 -0.276 0.000 1.038 137 T CA -0.566 61.311 62.100 -0.371 0.000 1.007 137 T CB 1.891 70.206 68.868 -0.922 0.000 1.055 137 T HN -0.029 nan 8.240 nan 0.000 0.451 138 I N 2.919 123.394 120.570 -0.158 0.000 2.330 138 I HA 0.266 4.436 4.170 -0.000 0.000 0.286 138 I C 1.257 177.343 176.117 -0.052 0.000 1.025 138 I CA -0.370 60.885 61.300 -0.075 0.000 1.197 138 I CB 1.244 39.215 38.000 -0.050 0.000 1.358 138 I HN 0.744 nan 8.210 nan 0.000 0.467 139 E N 2.688 122.882 120.200 -0.009 0.000 2.482 139 E HA -0.072 4.278 4.350 -0.000 0.000 0.196 139 E C 1.135 177.756 176.600 0.036 0.000 1.047 139 E CA 0.510 56.928 56.400 0.031 0.000 0.869 139 E CB 0.237 29.998 29.700 0.101 0.000 0.836 139 E HN 0.660 nan 8.360 nan 0.000 0.520 140 S N 0.142 115.859 115.700 0.028 0.000 2.573 140 S HA 0.156 4.625 4.470 -0.000 0.000 0.244 140 S C 0.404 175.015 174.600 0.017 0.000 0.984 140 S CA -0.549 57.668 58.200 0.028 0.000 1.001 140 S CB 0.102 63.320 63.200 0.031 0.000 0.788 140 S HN -0.132 nan 8.310 nan 0.000 0.456 141 V N 4.043 123.964 119.914 0.012 0.000 2.397 141 V HA 0.161 4.280 4.120 -0.000 0.000 0.262 141 V C 0.797 176.900 176.094 0.014 0.000 1.047 141 V CA -0.113 62.192 62.300 0.008 0.000 1.003 141 V CB 0.152 31.976 31.823 0.002 0.000 1.037 141 V HN 0.635 nan 8.190 nan 0.000 0.480 142 D N 2.430 122.837 120.400 0.012 0.000 2.395 142 D HA 0.100 4.740 4.640 -0.000 0.000 0.213 142 D C 0.429 176.734 176.300 0.008 0.000 1.110 142 D CA 0.237 54.245 54.000 0.013 0.000 0.835 142 D CB 0.694 41.500 40.800 0.011 0.000 0.965 142 D HN 0.604 nan 8.370 nan 0.000 0.505 143 S N -1.344 114.360 115.700 0.007 0.000 2.567 143 S HA 0.385 4.855 4.470 -0.000 0.000 0.270 143 S C 0.619 175.223 174.600 0.006 0.000 1.152 143 S CA -0.857 57.345 58.200 0.003 0.000 0.835 143 S CB 0.528 63.725 63.200 -0.005 0.000 1.115 143 S HN -0.083 nan 8.310 nan 0.000 0.459 144 I N 0.837 121.411 120.570 0.007 0.000 2.286 144 I HA -0.127 4.042 4.170 -0.000 0.000 0.248 144 I C 2.389 178.508 176.117 0.003 0.000 1.115 144 I CA 1.839 63.144 61.300 0.008 0.000 1.392 144 I CB -0.371 37.637 38.000 0.012 0.000 1.065 144 I HN 0.875 nan 8.210 nan 0.000 0.418 145 D N 1.106 121.506 120.400 0.000 0.000 2.092 145 D HA -0.228 4.412 4.640 -0.000 0.000 0.193 145 D C 2.032 178.330 176.300 -0.003 0.000 0.994 145 D CA 1.322 55.321 54.000 -0.002 0.000 0.828 145 D CB -0.033 40.764 40.800 -0.005 0.000 0.963 145 D HN 0.128 nan 8.370 nan 0.000 0.450 146 L N 0.452 121.673 121.223 -0.003 0.000 2.046 146 L HA 0.053 4.392 4.340 -0.000 0.000 0.208 146 L C 2.193 179.061 176.870 -0.004 0.000 1.077 146 L CA 2.113 56.951 54.840 -0.004 0.000 0.747 146 L CB -1.144 40.914 42.059 -0.002 0.000 0.896 146 L HN 0.095 nan 8.230 nan 0.000 0.432 147 A N -0.759 122.060 122.820 -0.002 0.000 1.940 147 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 147 A C 2.155 179.737 177.584 -0.004 0.000 1.176 147 A CA 1.937 53.972 52.037 -0.003 0.000 0.631 147 A CB -0.621 18.379 19.000 0.000 0.000 0.814 147 A HN 0.634 nan 8.150 nan 0.000 0.446 148 E N -0.230 119.969 120.200 -0.003 0.000 2.072 148 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 148 E C 2.050 178.647 176.600 -0.005 0.000 0.985 148 E CA 1.321 57.719 56.400 -0.003 0.000 0.801 148 E CB -0.155 29.544 29.700 -0.002 0.000 0.750 148 E HN 0.608 nan 8.360 nan 0.000 0.452 149 K N 0.542 120.938 120.400 -0.006 0.000 2.097 149 K HA -0.104 4.216 4.320 -0.000 0.000 0.206 149 K C 2.127 178.721 176.600 -0.010 0.000 1.049 149 K CA 1.014 57.297 56.287 -0.007 0.000 0.933 149 K CB -0.071 32.424 32.500 -0.007 0.000 0.717 149 K HN 0.133 nan 8.250 nan 0.000 0.442 150 I N 0.454 121.018 120.570 -0.011 0.000 2.252 150 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 150 I C 2.642 178.750 176.117 -0.014 0.000 1.102 150 I CA 0.820 62.112 61.300 -0.014 0.000 1.385 150 I CB -0.298 37.692 38.000 -0.017 0.000 1.064 150 I HN 0.160 nan 8.210 nan 0.000 0.414 151 S N 1.144 116.838 115.700 -0.011 0.000 2.359 151 S HA -0.216 4.254 4.470 -0.000 0.000 0.224 151 S C 2.217 176.812 174.600 -0.009 0.000 1.035 151 S CA 1.480 59.674 58.200 -0.010 0.000 1.018 151 S CB -0.183 63.013 63.200 -0.007 0.000 0.876 151 S HN 0.318 nan 8.310 nan 0.000 0.448 152 R N 0.377 120.873 120.500 -0.008 0.000 2.091 152 R HA -0.046 4.294 4.340 -0.000 0.000 0.238 152 R C 2.730 179.025 176.300 -0.009 0.000 1.136 152 R CA 1.836 57.931 56.100 -0.007 0.000 0.959 152 R CB -0.336 29.960 30.300 -0.006 0.000 0.856 152 R HN 0.427 nan 8.270 nan 0.000 0.437 153 R N 0.111 120.605 120.500 -0.010 0.000 2.090 153 R HA 0.017 4.357 4.340 -0.000 0.000 0.228 153 R C 2.338 178.630 176.300 -0.013 0.000 1.110 153 R CA 1.104 57.197 56.100 -0.012 0.000 0.973 153 R CB -0.220 30.071 30.300 -0.014 0.000 0.869 153 R HN 0.209 nan 8.270 nan 0.000 0.440 154 A N 0.680 123.492 122.820 -0.014 0.000 1.898 154 A HA -0.083 4.236 4.320 -0.000 0.000 0.216 154 A C 2.311 179.888 177.584 -0.012 0.000 1.181 154 A CA 1.143 53.171 52.037 -0.015 0.000 0.620 154 A CB -0.504 18.486 19.000 -0.016 0.000 0.819 154 A HN 0.090 nan 8.150 nan 0.000 0.442 155 V N 0.027 119.935 119.914 -0.010 0.000 2.287 155 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 155 V C 3.059 179.149 176.094 -0.007 0.000 1.053 155 V CA 2.024 64.319 62.300 -0.008 0.000 1.027 155 V CB -1.221 30.598 31.823 -0.007 0.000 0.646 155 V HN 0.609 nan 8.190 nan 0.000 0.447 156 A N -0.341 122.474 122.820 -0.008 0.000 1.972 156 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 156 A C 2.392 179.972 177.584 -0.007 0.000 1.169 156 A CA 1.954 53.987 52.037 -0.007 0.000 0.635 156 A CB -0.542 18.453 19.000 -0.007 0.000 0.810 156 A HN 0.488 nan 8.150 nan 0.000 0.446 157 R N -1.146 119.349 120.500 -0.009 0.000 2.240 157 R HA 0.121 4.461 4.340 -0.000 0.000 0.203 157 R C 1.160 177.456 176.300 -0.008 0.000 1.011 157 R CA 0.854 56.949 56.100 -0.009 0.000 1.007 157 R CB -0.204 30.089 30.300 -0.012 0.000 0.911 157 R HN 0.730 nan 8.270 nan 0.000 0.468 158 G N 1.197 109.992 108.800 -0.008 0.000 2.137 158 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.237 158 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.237 158 G C 0.025 174.920 174.900 -0.008 0.000 1.002 158 G CA 0.545 45.641 45.100 -0.007 0.000 0.702 158 G HN 0.487 nan 8.290 nan 0.000 0.515 159 I N -3.899 116.665 120.570 -0.010 0.000 3.294 159 I HA 0.949 5.119 4.170 -0.000 0.000 0.311 159 I C -0.277 175.832 176.117 -0.013 0.000 1.111 159 I CA -1.281 60.012 61.300 -0.011 0.000 0.976 159 I CB 2.177 40.170 38.000 -0.012 0.000 1.260 159 I HN -0.054 nan 8.210 nan 0.000 0.474 160 T N 2.001 116.546 114.554 -0.014 0.000 2.848 160 T HA 0.530 4.880 4.350 -0.000 0.000 0.285 160 T C -0.998 173.690 174.700 -0.020 0.000 0.995 160 T CA -0.441 61.649 62.100 -0.016 0.000 0.970 160 T CB 1.896 70.755 68.868 -0.015 0.000 0.976 160 T HN 0.531 nan 8.240 nan 0.000 0.441 161 V N 2.761 122.661 119.914 -0.025 0.000 2.628 161 V HA 0.873 4.993 4.120 -0.000 0.000 0.306 161 V C 0.457 176.527 176.094 -0.040 0.000 1.045 161 V CA -0.341 61.939 62.300 -0.033 0.000 0.905 161 V CB 1.674 33.473 31.823 -0.039 0.000 0.997 161 V HN 0.993 nan 8.190 nan 0.000 0.436 162 G N 4.185 112.952 108.800 -0.055 0.000 2.503 162 G HA2 0.561 4.520 3.960 -0.000 0.000 0.257 162 G HA3 0.561 4.520 3.960 -0.000 0.000 0.257 162 G C -0.591 174.260 174.900 -0.083 0.000 1.214 162 G CA 0.276 45.336 45.100 -0.065 0.000 0.839 162 G HN 1.568 nan 8.290 nan 0.000 0.559 163 V N -0.367 119.510 119.914 -0.062 0.000 2.971 163 V HA 0.767 4.887 4.120 -0.000 0.000 0.309 163 V C -0.627 175.447 176.094 -0.033 0.000 1.130 163 V CA -1.234 61.035 62.300 -0.052 0.000 0.964 163 V CB 1.726 33.531 31.823 -0.029 0.000 1.029 163 V HN 0.631 nan 8.190 nan 0.000 0.427 164 L N 3.525 124.735 121.223 -0.021 0.000 2.346 164 L HA 0.585 4.925 4.340 -0.000 0.000 0.276 164 L C -0.728 176.151 176.870 0.015 0.000 1.006 164 L CA -0.858 53.985 54.840 0.006 0.000 0.817 164 L CB 1.959 44.032 42.059 0.024 0.000 1.272 164 L HN 0.711 nan 8.230 nan 0.000 0.421 165 L N 3.175 124.412 121.223 0.024 0.000 2.315 165 L HA 0.236 4.576 4.340 -0.000 0.000 0.283 165 L C 0.221 177.116 176.870 0.041 0.000 1.089 165 L CA 0.346 55.204 54.840 0.030 0.000 0.833 165 L CB 0.720 42.799 42.059 0.033 0.000 1.170 165 L HN 0.573 nan 8.230 nan 0.000 0.442 166 E N 4.418 124.641 120.200 0.038 0.000 2.194 166 E HA 0.387 4.737 4.350 -0.000 0.000 0.284 166 E C -1.392 175.235 176.600 0.046 0.000 1.035 166 E CA -0.527 55.899 56.400 0.044 0.000 0.836 166 E CB 0.915 30.638 29.700 0.038 0.000 1.070 166 E HN 0.577 nan 8.360 nan 0.000 0.401 167 V N 4.572 124.521 119.914 0.057 0.000 2.581 167 V HA 0.161 4.281 4.120 -0.000 0.000 0.303 167 V C 0.145 176.258 176.094 0.032 0.000 1.041 167 V CA -1.095 61.240 62.300 0.058 0.000 0.907 167 V CB 1.679 33.561 31.823 0.099 0.000 0.994 167 V HN 0.652 nan 8.190 nan 0.000 0.442 168 N N 3.498 122.201 118.700 0.005 0.000 2.402 168 N HA 0.142 4.882 4.740 -0.000 0.000 0.252 168 N C 0.342 175.812 175.510 -0.066 0.000 1.118 168 N CA -0.009 53.025 53.050 -0.027 0.000 0.945 168 N CB 0.846 39.315 38.487 -0.030 0.000 1.147 168 N HN 0.637 nan 8.380 nan 0.000 0.495 169 E N 1.336 121.490 120.200 -0.078 0.000 2.558 169 E HA 0.020 4.370 4.350 -0.000 0.000 0.205 169 E C 0.864 177.373 176.600 -0.152 0.000 1.006 169 E CA 0.073 56.396 56.400 -0.128 0.000 0.961 169 E CB 0.147 29.795 29.700 -0.087 0.000 1.044 169 E HN 0.707 nan 8.360 nan 0.000 0.465 170 S N -0.455 115.166 115.700 -0.131 0.000 2.470 170 S HA 0.082 4.552 4.470 -0.000 0.000 0.225 170 S C 1.746 176.282 174.600 -0.106 0.000 1.006 170 S CA 0.831 58.950 58.200 -0.136 0.000 0.934 170 S CB 0.076 63.203 63.200 -0.122 0.000 0.778 170 S HN 0.290 nan 8.310 nan 0.000 0.517 171 G N 0.583 109.325 108.800 -0.096 0.000 2.176 171 G HA2 -0.190 3.769 3.960 -0.000 0.000 0.253 171 G HA3 -0.190 3.769 3.960 -0.000 0.000 0.253 171 G C -0.233 174.636 174.900 -0.052 0.000 0.979 171 G CA 0.233 45.288 45.100 -0.076 0.000 0.641 171 G HN 0.550 nan 8.290 nan 0.000 0.530 172 E N 0.354 120.525 120.200 -0.049 0.000 2.114 172 E HA 0.337 4.687 4.350 -0.000 0.000 0.266 172 E C 0.801 177.385 176.600 -0.028 0.000 0.896 172 E CA -0.522 55.859 56.400 -0.030 0.000 0.750 172 E CB 1.185 30.872 29.700 -0.021 0.000 1.121 172 E HN 0.524 nan 8.360 nan 0.000 0.413 173 E N 0.906 121.092 120.200 -0.024 0.000 2.219 173 E HA -0.205 4.145 4.350 -0.000 0.000 0.198 173 E C 1.693 178.283 176.600 -0.017 0.000 0.998 173 E CA 1.613 58.000 56.400 -0.022 0.000 0.818 173 E CB 0.126 29.814 29.700 -0.020 0.000 0.741 173 E HN 0.402 nan 8.360 nan 0.000 0.477 174 S N 0.361 116.054 115.700 -0.011 0.000 2.481 174 S HA -0.038 4.432 4.470 -0.000 0.000 0.231 174 S C 0.923 175.523 174.600 0.000 0.000 0.996 174 S CA 0.293 58.490 58.200 -0.004 0.000 0.942 174 S CB 0.081 63.282 63.200 0.001 0.000 0.768 174 S HN -0.067 nan 8.310 nan 0.000 0.520 175 K N 2.184 122.582 120.400 -0.003 0.000 2.149 175 K HA 0.408 4.728 4.320 -0.000 0.000 0.245 175 K C 0.458 177.059 176.600 0.001 0.000 1.024 175 K CA -0.135 56.154 56.287 0.003 0.000 0.899 175 K CB 0.299 32.792 32.500 -0.012 0.000 1.038 175 K HN 0.177 nan 8.250 nan 0.000 0.496 176 S N -0.544 115.162 115.700 0.010 0.000 2.608 176 S HA 0.538 5.008 4.470 -0.000 0.000 0.261 176 S C 0.316 174.920 174.600 0.006 0.000 1.314 176 S CA 0.259 58.466 58.200 0.011 0.000 0.992 176 S CB 0.664 63.879 63.200 0.024 0.000 0.935 176 S HN 0.799 nan 8.310 nan 0.000 0.564 177 G N -0.515 108.290 108.800 0.009 0.000 2.629 177 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.686 177 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.686 177 G C -0.102 174.801 174.900 0.005 0.000 1.232 177 G CA -0.714 44.393 45.100 0.012 0.000 0.803 177 G HN 1.474 nan 8.290 nan 0.000 0.638 178 C N 0.587 119.896 119.300 0.015 0.000 2.580 178 C HA 0.699 5.159 4.460 -0.000 0.000 0.371 178 C C 0.894 175.892 174.990 0.014 0.000 1.308 178 C CA -0.505 58.519 59.018 0.011 0.000 2.428 178 C CB 1.253 29.012 27.740 0.032 0.000 2.529 178 C HN 0.968 nan 8.230 nan 0.000 0.657 179 D N 3.263 123.663 120.400 0.001 0.000 2.450 179 D HA 0.075 4.715 4.640 -0.000 0.000 0.247 179 D C -0.837 175.523 176.300 0.100 0.000 1.162 179 D CA -1.115 52.901 54.000 0.026 0.000 0.879 179 D CB 1.117 41.909 40.800 -0.014 0.000 1.163 179 D HN 0.484 nan 8.370 nan 0.000 0.472 180 P HA -0.187 nan 4.420 nan 0.000 0.216 180 P C 0.966 178.385 177.300 0.197 0.000 1.150 180 P CA 1.238 64.382 63.100 0.073 0.000 0.843 180 P CB 0.125 31.686 31.700 -0.232 0.000 0.787 181 A N -0.568 122.356 122.820 0.173 0.000 2.014 181 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 181 A C 1.642 179.245 177.584 0.032 0.000 1.163 181 A CA 1.276 53.385 52.037 0.120 0.000 0.652 181 A CB -1.488 17.553 19.000 0.069 0.000 0.808 181 A HN 0.252 nan 8.150 nan 0.000 0.449 182 H N -1.034 118.064 119.070 0.047 0.000 2.539 182 H HA 0.444 5.000 4.556 -0.000 0.000 0.269 182 H C 2.094 177.445 175.328 0.038 0.000 0.980 182 H CA 0.321 56.389 56.048 0.035 0.000 1.152 182 H CB -0.022 29.754 29.762 0.023 0.000 1.407 182 H HN 0.475 nan 8.280 nan 0.000 0.564 183 A N 1.049 123.961 122.820 0.154 0.000 1.892 183 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 183 A C 2.181 179.805 177.584 0.067 0.000 1.188 183 A CA 1.736 53.839 52.037 0.110 0.000 0.631 183 A CB -0.724 18.351 19.000 0.126 0.000 0.822 183 A HN 0.390 nan 8.150 nan 0.000 0.447 184 I N -1.178 119.417 120.570 0.042 0.000 2.179 184 I HA -0.270 3.900 4.170 -0.000 0.000 0.242 184 I C 2.745 178.874 176.117 0.020 0.000 1.088 184 I CA 1.795 63.105 61.300 0.017 0.000 1.357 184 I CB -0.429 37.568 38.000 -0.005 0.000 1.051 184 I HN 0.402 nan 8.210 nan 0.000 0.409 185 R N 1.568 122.082 120.500 0.024 0.000 2.083 185 R HA -0.181 4.159 4.340 -0.000 0.000 0.237 185 R C 2.328 178.653 176.300 0.042 0.000 1.137 185 R CA 1.755 57.872 56.100 0.028 0.000 0.951 185 R CB -0.292 30.028 30.300 0.034 0.000 0.851 185 R HN 0.318 nan 8.270 nan 0.000 0.434 186 I N 0.816 121.422 120.570 0.061 0.000 2.226 186 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 186 I C 2.644 178.782 176.117 0.034 0.000 1.100 186 I CA 1.236 62.567 61.300 0.052 0.000 1.374 186 I CB -0.418 37.618 38.000 0.061 0.000 1.057 186 I HN 0.293 nan 8.210 nan 0.000 0.413 187 A N 0.396 123.236 122.820 0.033 0.000 1.908 187 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 187 A C 2.263 179.856 177.584 0.016 0.000 1.181 187 A CA 1.675 53.726 52.037 0.023 0.000 0.627 187 A CB -0.656 18.356 19.000 0.021 0.000 0.818 187 A HN 0.485 nan 8.150 nan 0.000 0.445 188 Q N -0.904 118.905 119.800 0.015 0.000 2.124 188 Q HA -0.209 4.131 4.340 -0.000 0.000 0.202 188 Q C 2.157 178.163 176.000 0.010 0.000 0.977 188 Q CA 1.663 57.472 55.803 0.010 0.000 0.850 188 Q CB -0.187 28.556 28.738 0.008 0.000 0.901 188 Q HN 0.560 nan 8.270 nan 0.000 0.429 189 K N 1.520 121.928 120.400 0.014 0.000 2.057 189 K HA -0.095 4.225 4.320 -0.000 0.000 0.206 189 K C 1.672 178.278 176.600 0.010 0.000 1.050 189 K CA 1.218 57.513 56.287 0.013 0.000 0.935 189 K CB -0.310 32.200 32.500 0.017 0.000 0.715 189 K HN 0.162 nan 8.250 nan 0.000 0.439 190 I N 0.289 120.866 120.570 0.011 0.000 2.264 190 I HA -0.189 3.981 4.170 -0.000 0.000 0.248 190 I C 2.192 178.311 176.117 0.004 0.000 1.111 190 I CA 1.432 62.736 61.300 0.007 0.000 1.382 190 I CB -0.638 37.367 38.000 0.008 0.000 1.060 190 I HN 0.401 nan 8.210 nan 0.000 0.418 191 G N 0.319 109.122 108.800 0.005 0.000 2.470 191 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.220 191 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.220 191 G C 1.640 176.541 174.900 0.001 0.000 1.121 191 G CA 1.361 46.463 45.100 0.002 0.000 0.766 191 G HN 0.491 nan 8.290 nan 0.000 0.553 192 T N -1.345 113.210 114.554 0.002 0.000 3.081 192 T HA 0.344 4.694 4.350 -0.000 0.000 0.255 192 T C 0.972 175.672 174.700 0.000 0.000 1.113 192 T CA -0.307 61.794 62.100 0.001 0.000 1.082 192 T CB -0.089 68.780 68.868 0.003 0.000 0.939 192 T HN 0.072 nan 8.240 nan 0.000 0.506 193 L N 2.587 123.809 121.223 -0.000 0.000 2.349 193 L HA 0.381 4.721 4.340 -0.000 0.000 0.275 193 L C 0.099 176.967 176.870 -0.004 0.000 1.115 193 L CA -0.791 54.048 54.840 -0.002 0.000 0.820 193 L CB 0.523 42.581 42.059 -0.002 0.000 1.135 193 L HN 0.164 nan 8.230 nan 0.000 0.445 194 D N 1.747 122.145 120.400 -0.004 0.000 2.358 194 D HA 0.235 4.875 4.640 -0.000 0.000 0.244 194 D C 1.107 177.403 176.300 -0.007 0.000 1.163 194 D CA 0.817 54.814 54.000 -0.005 0.000 0.945 194 D CB 1.483 42.280 40.800 -0.005 0.000 1.152 194 D HN 0.800 nan 8.370 nan 0.000 0.451 195 G N 0.069 108.863 108.800 -0.009 0.000 2.184 195 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.264 195 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.264 195 G C 0.422 175.314 174.900 -0.014 0.000 0.975 195 G CA 0.792 45.885 45.100 -0.011 0.000 0.642 195 G HN 0.618 nan 8.290 nan 0.000 0.536 196 I N -3.228 117.334 120.570 -0.013 0.000 2.730 196 I HA 0.863 5.033 4.170 -0.000 0.000 0.298 196 I C -0.801 175.308 176.117 -0.013 0.000 1.089 196 I CA -1.343 59.948 61.300 -0.015 0.000 1.041 196 I CB 2.419 40.410 38.000 -0.015 0.000 1.235 196 I HN 0.032 nan 8.210 nan 0.000 0.423 197 E N 4.445 124.635 120.200 -0.016 0.000 2.220 197 E HA 0.334 4.684 4.350 -0.000 0.000 0.256 197 E C -1.624 174.969 176.600 -0.013 0.000 0.881 197 E CA -0.962 55.430 56.400 -0.013 0.000 0.766 197 E CB 2.083 31.776 29.700 -0.013 0.000 1.187 197 E HN 0.703 nan 8.360 nan 0.000 0.419 198 L N 4.842 126.061 121.223 -0.007 0.000 2.456 198 L HA 0.092 4.432 4.340 -0.000 0.000 0.277 198 L C 0.244 177.113 176.870 -0.001 0.000 1.124 198 L CA 0.944 55.782 54.840 -0.004 0.000 0.880 198 L CB 0.536 42.596 42.059 0.001 0.000 1.192 198 L HN 0.665 nan 8.230 nan 0.000 0.463 199 Q N 4.141 123.941 119.800 -0.001 0.000 2.247 199 Q HA 0.480 4.820 4.340 -0.000 0.000 0.211 199 Q C 0.555 176.565 176.000 0.018 0.000 0.861 199 Q CA 0.212 56.020 55.803 0.008 0.000 0.949 199 Q CB 0.802 29.543 28.738 0.006 0.000 1.115 199 Q HN 0.991 nan 8.270 nan 0.000 0.507 200 G N -0.065 108.745 108.800 0.017 0.000 2.339 200 G HA2 0.140 4.100 3.960 -0.000 0.000 0.275 200 G HA3 0.140 4.100 3.960 -0.000 0.000 0.275 200 G C -1.767 173.149 174.900 0.028 0.000 1.323 200 G CA -1.060 44.054 45.100 0.023 0.000 0.927 200 G HN 0.020 nan 8.290 nan 0.000 0.486 204 I N 2.593 123.203 120.570 0.067 0.000 3.226 204 I HA 0.306 4.476 4.170 -0.000 0.000 0.277 204 I C 1.762 177.871 176.117 -0.013 0.000 1.243 204 I CA 0.889 62.218 61.300 0.049 0.000 1.459 204 I CB -0.697 37.318 38.000 0.025 0.000 1.093 204 I HN 1.045 nan 8.210 nan 0.000 0.453 205 G N 1.410 110.195 108.800 -0.024 0.000 2.525 205 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.248 205 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.248 205 G C -0.306 174.415 174.900 -0.300 0.000 1.238 205 G CA -0.211 44.800 45.100 -0.147 0.000 0.926 205 G HN 0.625 nan 8.290 nan 0.000 0.574 206 A N -0.766 121.848 122.820 -0.343 0.000 2.343 206 A HA 0.694 5.014 4.320 -0.000 0.000 0.308 206 A C -0.266 177.164 177.584 -0.257 0.000 1.092 206 A CA -0.346 51.504 52.037 -0.312 0.000 0.751 206 A CB 0.893 19.761 19.000 -0.220 0.000 1.203 206 A HN 0.950 nan 8.150 nan 0.000 0.452 207 H N 2.640 121.685 119.070 -0.041 0.000 2.998 207 H HA 0.343 4.899 4.556 0.000 0.000 0.241 207 H C 0.271 175.585 175.328 -0.023 0.000 1.852 207 H CA 0.486 56.513 56.048 -0.035 0.000 1.419 207 H CB -0.650 29.107 29.762 -0.008 0.000 1.793 207 H HN 0.595 nan 8.280 nan 0.000 0.553 208 V N -1.306 118.625 119.914 0.028 0.000 3.141 208 V HA 0.332 4.452 4.120 -0.000 0.000 0.312 208 V C 0.293 176.379 176.094 -0.014 0.000 1.157 208 V CA -1.017 61.323 62.300 0.067 0.000 1.041 208 V CB 2.433 34.276 31.823 0.034 0.000 1.071 208 V HN 0.272 nan 8.190 nan 0.000 0.441 209 H N -0.668 118.408 119.070 0.011 0.000 2.549 209 H HA 0.387 4.943 4.556 -0.000 0.000 0.279 209 H C -0.046 175.283 175.328 0.001 0.000 1.018 209 H CA 0.221 56.276 56.048 0.011 0.000 1.175 209 H CB 0.128 29.898 29.762 0.012 0.000 1.485 209 H HN 0.742 nan 8.280 nan 0.000 0.543 210 D N 1.057 121.504 120.400 0.078 0.000 2.365 210 D HA 0.003 4.643 4.640 -0.000 0.000 0.237 210 D C 0.652 176.950 176.300 -0.004 0.000 1.190 210 D CA 0.069 54.090 54.000 0.034 0.000 0.867 210 D CB 0.672 41.482 40.800 0.016 0.000 1.050 210 D HN 0.370 nan 8.370 nan 0.000 0.491 211 E N 1.107 121.311 120.200 0.006 0.000 2.204 211 E HA -0.155 4.194 4.350 -0.000 0.000 0.195 211 E C 1.734 178.323 176.600 -0.019 0.000 0.990 211 E CA 1.223 57.620 56.400 -0.005 0.000 0.821 211 E CB 0.288 29.998 29.700 0.017 0.000 0.750 211 E HN 0.621 nan 8.360 nan 0.000 0.477 212 T N -1.824 112.721 114.554 -0.015 0.000 2.904 212 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 212 T C 2.028 176.700 174.700 -0.046 0.000 1.059 212 T CA 0.748 62.837 62.100 -0.019 0.000 1.137 212 T CB -0.286 68.576 68.868 -0.009 0.000 0.879 212 T HN -0.053 nan 8.240 nan 0.000 0.467 213 V N 1.322 121.199 119.914 -0.062 0.000 2.379 213 V HA 0.016 4.136 4.120 -0.000 0.000 0.245 213 V C 2.672 178.661 176.094 -0.175 0.000 1.044 213 V CA 1.210 63.453 62.300 -0.095 0.000 1.036 213 V CB -0.580 31.194 31.823 -0.081 0.000 0.664 213 V HN 0.472 nan 8.190 nan 0.000 0.453 214 I N -0.220 120.228 120.570 -0.203 0.000 2.179 214 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 214 I C 2.783 178.617 176.117 -0.471 0.000 1.088 214 I CA 1.681 62.745 61.300 -0.393 0.000 1.357 214 I CB -0.443 37.401 38.000 -0.261 0.000 1.051 214 I HN 0.215 nan 8.210 nan 0.000 0.409 215 R N 0.262 120.660 120.500 -0.170 0.000 2.081 215 R HA -0.182 4.158 4.340 -0.000 0.000 0.235 215 R C 2.443 178.728 176.300 -0.025 0.000 1.131 215 R CA 1.297 57.385 56.100 -0.021 0.000 0.960 215 R CB -0.427 29.895 30.300 0.035 0.000 0.856 215 R HN 0.313 nan 8.270 nan 0.000 0.436 216 R N 0.439 120.903 120.500 -0.061 0.000 2.091 216 R HA -0.123 4.217 4.340 -0.000 0.000 0.238 216 R C 2.238 178.530 176.300 -0.014 0.000 1.136 216 R CA 1.762 57.849 56.100 -0.022 0.000 0.959 216 R CB -0.455 29.824 30.300 -0.035 0.000 0.856 216 R HN 0.329 nan 8.270 nan 0.000 0.437 217 G N -0.138 108.583 108.800 -0.133 0.000 2.402 217 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.216 217 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.216 217 G C 1.033 175.962 174.900 0.049 0.000 1.162 217 G CA 0.375 45.402 45.100 -0.122 0.000 0.777 217 G HN 0.242 nan 8.290 nan 0.000 0.539 218 F N 1.357 121.329 119.950 0.037 0.000 2.186 218 F HA 0.031 4.557 4.527 -0.001 0.000 0.299 218 F C 2.998 178.828 175.800 0.049 0.000 1.090 218 F CA 0.785 58.808 58.000 0.038 0.000 1.307 218 F CB -0.944 38.068 39.000 0.019 0.000 1.019 218 F HN 0.216 nan 8.300 nan 0.000 0.489 219 S N -1.068 114.773 115.700 0.236 0.000 2.368 219 S HA -0.244 4.226 4.470 -0.000 0.000 0.225 219 S C 2.327 177.004 174.600 0.127 0.000 1.030 219 S CA 1.411 59.698 58.200 0.145 0.000 0.999 219 S CB -0.641 62.622 63.200 0.104 0.000 0.844 219 S HN 0.508 nan 8.310 nan 0.000 0.459 220 H N 0.391 119.495 119.070 0.056 0.000 2.353 220 H HA -0.047 4.509 4.556 -0.000 0.000 0.300 220 H C 2.210 177.568 175.328 0.051 0.000 1.090 220 H CA 1.753 57.825 56.048 0.039 0.000 1.327 220 H CB -0.520 29.255 29.762 0.021 0.000 1.383 220 H HN 0.415 nan 8.280 nan 0.000 0.508 221 L N 1.390 122.749 121.223 0.227 0.000 2.046 221 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 221 L C 3.016 179.918 176.870 0.053 0.000 1.077 221 L CA 1.673 56.609 54.840 0.160 0.000 0.747 221 L CB -0.645 41.532 42.059 0.197 0.000 0.896 221 L HN 0.156 nan 8.230 nan 0.000 0.432 222 R N -0.456 120.078 120.500 0.056 0.000 2.073 222 R HA -0.188 4.152 4.340 -0.000 0.000 0.234 222 R C 2.283 178.572 176.300 -0.019 0.000 1.134 222 R CA 1.739 57.851 56.100 0.020 0.000 0.952 222 R CB -0.128 30.191 30.300 0.031 0.000 0.850 222 R HN 0.336 nan 8.270 nan 0.000 0.433 223 K N -0.671 119.699 120.400 -0.049 0.000 2.057 223 K HA -0.084 4.236 4.320 -0.000 0.000 0.207 223 K C 2.057 178.590 176.600 -0.112 0.000 1.049 223 K CA 1.952 58.190 56.287 -0.082 0.000 0.931 223 K CB -0.109 32.325 32.500 -0.109 0.000 0.714 223 K HN 0.219 nan 8.250 nan 0.000 0.440 224 T N 1.029 115.482 114.554 -0.169 0.000 2.746 224 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 224 T C 1.823 176.489 174.700 -0.056 0.000 1.039 224 T CA 0.994 63.010 62.100 -0.139 0.000 1.142 224 T CB -0.104 68.678 68.868 -0.144 0.000 0.866 224 T HN 0.178 nan 8.240 nan 0.000 0.444 225 R N 1.427 121.908 120.500 -0.031 0.000 2.083 225 R HA -0.139 4.201 4.340 -0.000 0.000 0.237 225 R C 1.680 177.970 176.300 -0.015 0.000 1.137 225 R CA 1.819 57.913 56.100 -0.010 0.000 0.951 225 R CB -0.810 29.491 30.300 0.002 0.000 0.851 225 R HN 0.348 nan 8.270 nan 0.000 0.434 226 D N 0.750 121.137 120.400 -0.022 0.000 2.117 226 D HA -0.148 4.492 4.640 -0.000 0.000 0.197 226 D C 2.108 178.396 176.300 -0.021 0.000 0.987 226 D CA 1.038 55.027 54.000 -0.019 0.000 0.829 226 D CB -0.259 40.529 40.800 -0.021 0.000 0.961 226 D HN 0.260 nan 8.370 nan 0.000 0.460 227 L N 0.378 121.583 121.223 -0.031 0.000 2.056 227 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 227 L C 2.522 179.380 176.870 -0.019 0.000 1.078 227 L CA 0.645 55.468 54.840 -0.028 0.000 0.749 227 L CB -0.288 41.746 42.059 -0.040 0.000 0.901 227 L HN 0.018 nan 8.230 nan 0.000 0.433 228 I N -0.328 120.233 120.570 -0.016 0.000 2.226 228 I HA -0.327 3.842 4.170 -0.000 0.000 0.245 228 I C 2.451 178.565 176.117 -0.006 0.000 1.100 228 I CA 1.372 62.667 61.300 -0.008 0.000 1.374 228 I CB -0.247 37.752 38.000 -0.002 0.000 1.057 228 I HN 0.223 nan 8.210 nan 0.000 0.413 229 L N 0.463 121.682 121.223 -0.006 0.000 2.083 229 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 229 L C 2.789 179.656 176.870 -0.005 0.000 1.083 229 L CA 1.299 56.136 54.840 -0.004 0.000 0.752 229 L CB -0.615 41.442 42.059 -0.003 0.000 0.899 229 L HN 0.254 nan 8.230 nan 0.000 0.433 230 A N -0.189 122.626 122.820 -0.008 0.000 2.015 230 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 230 A C 2.496 180.075 177.584 -0.007 0.000 1.163 230 A CA 1.557 53.590 52.037 -0.008 0.000 0.646 230 A CB -0.531 18.463 19.000 -0.010 0.000 0.806 230 A HN 0.531 nan 8.150 nan 0.000 0.448 231 S N -0.863 114.833 115.700 -0.007 0.000 2.383 231 S HA 0.147 4.617 4.470 -0.000 0.000 0.229 231 S C 1.736 176.333 174.600 -0.004 0.000 1.030 231 S CA 1.527 59.723 58.200 -0.006 0.000 1.002 231 S CB -1.013 62.184 63.200 -0.006 0.000 0.829 231 S HN 1.989 nan 8.310 nan 0.000 0.467 232 G N 1.286 110.084 108.800 -0.003 0.000 2.168 232 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.257 232 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.257 232 G C -0.162 174.737 174.900 -0.002 0.000 0.997 232 G CA 0.482 45.581 45.100 -0.002 0.000 0.708 232 G HN 0.686 nan 8.290 nan 0.000 0.520 233 E N 0.535 120.734 120.200 -0.001 0.000 2.374 233 E HA 0.283 4.633 4.350 -0.000 0.000 0.260 233 E C -2.268 174.332 176.600 -0.000 0.000 1.101 233 E CA -1.846 54.553 56.400 -0.001 0.000 0.907 233 E CB 0.423 30.123 29.700 -0.000 0.000 1.014 233 E HN 0.101 nan 8.360 nan 0.000 0.427 234 P HA -0.072 nan 4.420 nan 0.000 0.260 234 P C 0.342 177.642 177.300 0.000 0.000 1.172 234 P CA 1.121 64.221 63.100 0.000 0.000 0.760 234 P CB 0.169 31.870 31.700 0.000 0.000 0.773 235 G N 2.607 111.407 108.800 -0.000 0.000 2.198 235 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.260 235 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.260 235 G C 0.660 175.561 174.900 0.001 0.000 1.025 235 G CA 0.645 45.745 45.100 -0.000 0.000 0.769 235 G HN 0.655 nan 8.290 nan 0.000 0.507 236 T N -2.883 111.672 114.554 0.001 0.000 3.003 236 T HA 0.183 4.533 4.350 -0.000 0.000 0.261 236 T C 1.634 176.335 174.700 0.002 0.000 1.003 236 T CA 1.029 63.130 62.100 0.002 0.000 0.917 236 T CB 0.172 69.041 68.868 0.001 0.000 1.084 236 T HN 0.394 nan 8.240 nan 0.000 0.522 237 D N 1.892 122.292 120.400 0.001 0.000 2.350 237 D HA -0.128 4.512 4.640 -0.000 0.000 0.216 237 D C 1.571 177.872 176.300 0.003 0.000 0.968 237 D CA 0.377 54.378 54.000 0.001 0.000 0.894 237 D CB -0.176 40.624 40.800 0.001 0.000 0.909 237 D HN 0.390 nan 8.370 nan 0.000 0.520 238 R N -0.537 119.965 120.500 0.004 0.000 2.468 238 R HA 0.155 4.495 4.340 -0.000 0.000 0.280 238 R C 0.179 176.484 176.300 0.008 0.000 0.963 238 R CA -0.288 55.815 56.100 0.006 0.000 1.083 238 R CB 0.249 30.552 30.300 0.005 0.000 1.200 238 R HN 0.083 nan 8.270 nan 0.000 0.541 239 C N 1.894 121.198 119.300 0.007 0.000 2.645 239 C HA 0.242 4.701 4.460 -0.000 0.000 0.451 239 C C 1.299 176.295 174.990 0.010 0.000 1.018 239 C CA -0.188 58.835 59.018 0.009 0.000 1.180 239 C CB -1.109 26.635 27.740 0.007 0.000 1.563 239 C HN 0.468 nan 8.230 nan 0.000 0.551 240 R N 0.764 121.272 120.500 0.013 0.000 2.316 240 R HA 0.158 4.498 4.340 -0.000 0.000 0.201 240 R C 0.519 176.828 176.300 0.015 0.000 0.888 240 R CA -0.069 56.038 56.100 0.012 0.000 1.041 240 R CB 0.228 30.535 30.300 0.012 0.000 1.115 240 R HN 0.596 nan 8.270 nan 0.000 0.559 241 E N 1.431 121.645 120.200 0.023 0.000 2.373 241 E HA 0.181 4.531 4.350 -0.000 0.000 0.263 241 E C -0.442 176.171 176.600 0.022 0.000 1.073 241 E CA 0.052 56.468 56.400 0.026 0.000 0.894 241 E CB 1.411 31.139 29.700 0.047 0.000 1.008 241 E HN 0.094 nan 8.360 nan 0.000 0.420 242 L N 1.954 123.183 121.223 0.011 0.000 2.442 242 L HA 0.199 4.539 4.340 -0.000 0.000 0.261 242 L C 0.197 177.060 176.870 -0.011 0.000 1.000 242 L CA -0.389 54.453 54.840 0.004 0.000 0.882 242 L CB 1.615 43.667 42.059 -0.012 0.000 1.207 242 L HN 0.370 nan 8.230 nan 0.000 0.443 248 G N 2.090 110.910 108.800 0.033 0.000 2.623 248 G HA2 0.287 4.247 3.960 -0.000 0.000 0.214 248 G HA3 0.287 4.247 3.960 -0.000 0.000 0.214 248 G C 0.164 175.087 174.900 0.039 0.000 1.138 248 G CA 0.947 46.062 45.100 0.024 0.000 0.794 248 G HN 0.658 nan 8.290 nan 0.000 0.535 252 L N 0.952 122.216 121.223 0.068 0.000 2.056 252 L HA 0.004 4.344 4.340 -0.000 0.000 0.207 252 L C 2.365 179.293 176.870 0.097 0.000 1.078 252 L CA 1.576 56.498 54.840 0.136 0.000 0.749 252 L CB -0.435 41.772 42.059 0.245 0.000 0.901 252 L HN 0.222 nan 8.230 nan 0.000 0.433 253 A N 0.478 123.226 122.820 -0.119 0.000 1.902 253 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 253 A C 2.217 179.626 177.584 -0.292 0.000 1.181 253 A CA 1.576 53.235 52.037 -0.631 0.000 0.623 253 A CB -0.666 17.814 19.000 -0.867 0.000 0.818 253 A HN 0.357 nan 8.150 nan 0.000 0.443 254 I N -0.292 120.181 120.570 -0.163 0.000 2.315 254 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 254 I C 2.883 178.968 176.117 -0.053 0.000 1.117 254 I CA 0.917 62.158 61.300 -0.099 0.000 1.404 254 I CB -0.294 37.665 38.000 -0.068 0.000 1.071 254 I HN 0.356 nan 8.210 nan 0.000 0.419 255 A N 0.131 122.937 122.820 -0.023 0.000 2.019 255 A HA -0.148 4.171 4.320 -0.000 0.000 0.219 255 A C 1.946 179.539 177.584 0.016 0.000 1.164 255 A CA 1.384 53.425 52.037 0.007 0.000 0.644 255 A CB -0.248 18.770 19.000 0.030 0.000 0.805 255 A HN 0.307 nan 8.150 nan 0.000 0.449 256 E N -1.241 118.970 120.200 0.019 0.000 2.437 256 E HA 0.252 4.602 4.350 -0.000 0.000 0.189 256 E C 1.014 177.617 176.600 0.005 0.000 1.054 256 E CA 0.590 57.017 56.400 0.045 0.000 0.874 256 E CB -0.025 29.761 29.700 0.144 0.000 1.011 256 E HN 0.764 nan 8.360 nan 0.000 0.474 257 G N 1.452 110.234 108.800 -0.030 0.000 2.163 257 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.213 257 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.213 257 G C 0.477 175.341 174.900 -0.061 0.000 0.991 257 G CA 0.384 45.464 45.100 -0.034 0.000 0.653 257 G HN 0.275 nan 8.290 nan 0.000 0.518 258 S N 0.261 115.892 115.700 -0.115 0.000 2.558 258 S HA 0.408 4.878 4.470 -0.000 0.000 0.291 258 S C 1.769 176.320 174.600 -0.081 0.000 1.306 258 S CA 1.708 59.828 58.200 -0.134 0.000 1.056 258 S CB 0.757 63.824 63.200 -0.223 0.000 0.836 258 S HN 1.373 nan 8.310 nan 0.000 0.504 259 T N 2.290 116.809 114.554 -0.058 0.000 2.985 259 T HA 0.415 4.765 4.350 -0.000 0.000 0.254 259 T C 0.308 174.988 174.700 -0.035 0.000 1.021 259 T CA -0.169 61.909 62.100 -0.036 0.000 0.957 259 T CB -0.239 68.620 68.868 -0.014 0.000 1.047 259 T HN 0.527 nan 8.240 nan 0.000 0.511 260 I N 2.587 123.130 120.570 -0.045 0.000 2.548 260 I HA 0.458 4.628 4.170 -0.000 0.000 0.287 260 I C -1.034 175.047 176.117 -0.060 0.000 1.103 260 I CA -1.521 59.754 61.300 -0.042 0.000 1.049 260 I CB 2.653 40.645 38.000 -0.012 0.000 1.232 260 I HN 0.035 nan 8.210 nan 0.000 0.429 261 V N 3.087 122.961 119.914 -0.066 0.000 2.483 261 V HA 0.638 4.758 4.120 -0.000 0.000 0.295 261 V C -0.214 175.853 176.094 -0.044 0.000 1.035 261 V CA -0.753 61.507 62.300 -0.068 0.000 0.896 261 V CB 1.636 33.414 31.823 -0.074 0.000 0.986 261 V HN 0.693 nan 8.190 nan 0.000 0.447 262 R N 3.207 123.694 120.500 -0.021 0.000 2.239 262 R HA 0.699 5.039 4.340 -0.000 0.000 0.332 262 R C -1.329 174.978 176.300 0.011 0.000 0.988 262 R CA -0.494 55.606 56.100 0.001 0.000 0.859 262 R CB 1.760 32.077 30.300 0.029 0.000 1.148 262 R HN 0.690 nan 8.270 nan 0.000 0.482 263 V N 2.218 122.133 119.914 0.001 0.000 2.448 263 V HA 0.452 4.572 4.120 -0.000 0.000 0.295 263 V C 0.605 176.721 176.094 0.037 0.000 1.025 263 V CA -0.398 61.904 62.300 0.002 0.000 0.859 263 V CB 1.606 33.404 31.823 -0.040 0.000 0.988 263 V HN 1.010 nan 8.190 nan 0.000 0.431 264 G N 2.200 111.043 108.800 0.071 0.000 2.621 264 G HA2 0.026 3.986 3.960 -0.000 0.000 0.209 264 G HA3 0.026 3.986 3.960 -0.000 0.000 0.209 264 G C 1.243 176.236 174.900 0.155 0.000 1.379 264 G CA 1.001 46.205 45.100 0.173 0.000 0.766 264 G HN 0.544 nan 8.290 nan 0.000 0.599 265 T N 2.372 116.983 114.554 0.095 0.000 2.699 265 T HA -0.099 4.251 4.350 -0.000 0.000 0.268 265 T C 2.652 177.361 174.700 0.015 0.000 1.036 265 T CA 1.879 64.019 62.100 0.067 0.000 1.147 265 T CB -0.439 68.454 68.868 0.042 0.000 0.862 265 T HN 0.376 nan 8.240 nan 0.000 0.446 266 A N 0.248 123.057 122.820 -0.017 0.000 2.070 266 A HA 0.039 4.359 4.320 -0.000 0.000 0.220 266 A C 2.176 179.690 177.584 -0.117 0.000 1.159 266 A CA 1.042 53.049 52.037 -0.051 0.000 0.656 266 A CB -0.599 18.373 19.000 -0.047 0.000 0.800 266 A HN 0.569 nan 8.150 nan 0.000 0.453 267 I N -2.568 117.881 120.570 -0.201 0.000 2.685 267 I HA 0.126 4.296 4.170 -0.000 0.000 0.251 267 I C 0.592 176.418 176.117 -0.485 0.000 1.102 267 I CA 0.074 61.109 61.300 -0.441 0.000 1.442 267 I CB -0.049 37.486 38.000 -0.775 0.000 1.194 267 I HN 0.182 nan 8.210 nan 0.000 0.448 268 F N 0.000 119.928 119.950 -0.037 0.000 2.286 268 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 268 F CA 0.000 57.980 58.000 -0.034 0.000 1.383 268 F CB 0.000 38.980 39.000 -0.033 0.000 1.145 268 F HN 0.000 nan 8.300 nan 0.000 0.574