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 1w4w_1_A DATA FIRST_RESID 1 DATA SEQUENCE QLTPTFYDNS cPNVSNIVRD TIVNELRSDP RIAASILRLH FHDcFVNGcD DATA SEQUENCE ASILLDNTTS FRTEKDAFGN ANSARGFPVI DRMKAAVESA cPRTVScADL DATA SEQUENCE LTIAAQQSVT LAGGPSWRVP LGRRDSLQAF LDLANANLPA PFFTLPQLKD DATA SEQUENCE SFRNVGLNRS SDLVALSGGH TFGKNQcRFI MDRLYNFSNT GLPDPTLNTT DATA SEQUENCE YLQTLRGLcP LNGNLSALVD FDLRTPTIFD NKYYVNLEEQ KGLIQSDQEL DATA SEQUENCE FSSPNATDTI PLVRSFANST QTFFNAFVEA MDRMGNITPL TGTQGQIRLN DATA SEQUENCE cRVVNS 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 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 175.985 176.000 -0.025 0.000 1.003 1 Q CA 0.000 55.794 55.803 -0.014 0.000 1.022 1 Q CB 0.000 28.738 28.738 0.000 0.000 1.108 2 L N 1.325 122.521 121.223 -0.045 0.000 2.439 2 L HA 0.534 5.347 4.340 0.787 0.000 0.269 2 L C 0.742 177.598 176.870 -0.024 0.000 1.179 2 L CA 0.292 55.088 54.840 -0.074 0.000 0.828 2 L CB 0.787 42.802 42.059 -0.074 0.000 1.106 2 L HN 0.554 nan 8.230 nan 0.000 0.467 3 T N 1.747 116.294 114.554 -0.012 0.000 2.952 3 T HA 0.380 5.202 4.350 0.787 0.000 0.305 3 T C -2.244 172.479 174.700 0.039 0.000 1.064 3 T CA -1.511 60.608 62.100 0.032 0.000 1.008 3 T CB 2.038 70.943 68.868 0.062 0.000 1.078 3 T HN 0.232 nan 8.240 nan 0.000 0.459 4 P HA -0.012 nan 4.420 nan 0.000 0.222 4 P C 1.178 178.508 177.300 0.050 0.000 1.147 4 P CA 1.034 64.158 63.100 0.040 0.000 0.790 4 P CB 0.035 31.760 31.700 0.042 0.000 0.780 5 T N -5.682 108.899 114.554 0.046 0.000 3.144 5 T HA 0.082 4.904 4.350 0.787 0.000 0.249 5 T C 1.346 176.051 174.700 0.007 0.000 1.089 5 T CA -0.360 61.758 62.100 0.031 0.000 0.989 5 T CB -1.290 67.584 68.868 0.010 0.000 0.992 5 T HN -0.111 nan 8.240 nan 0.000 0.540 6 F N 2.050 121.896 119.950 -0.173 0.000 2.147 6 F HA -0.145 4.855 4.527 0.789 0.000 0.301 6 F C 1.002 176.575 175.800 -0.378 0.000 1.084 6 F CA 1.325 59.121 58.000 -0.340 0.000 1.268 6 F CB -0.183 38.477 39.000 -0.568 0.000 1.009 6 F HN 0.269 nan 8.300 nan 0.000 0.486 7 Y N -0.744 119.596 120.300 0.066 0.000 2.555 7 Y HA 0.146 5.168 4.550 0.787 0.000 0.259 7 Y C 1.548 177.424 175.900 -0.040 0.000 1.179 7 Y CA -0.563 57.528 58.100 -0.014 0.000 1.230 7 Y CB -0.727 37.776 38.460 0.073 0.000 1.146 7 Y HN -0.043 nan 8.280 nan 0.000 0.526 8 D N 0.053 120.490 120.400 0.061 0.000 2.265 8 D HA -0.148 4.965 4.640 0.787 0.000 0.208 8 D C 1.322 177.627 176.300 0.008 0.000 0.977 8 D CA 1.177 55.197 54.000 0.032 0.000 0.871 8 D CB 0.160 40.965 40.800 0.008 0.000 0.925 8 D HN 0.327 nan 8.370 nan 0.000 0.485 9 N N -1.006 117.685 118.700 -0.016 0.000 2.545 9 N HA -0.029 5.183 4.740 0.787 0.000 0.190 9 N C 1.702 177.206 175.510 -0.009 0.000 1.043 9 N CA 0.722 53.758 53.050 -0.024 0.000 0.879 9 N CB 0.095 38.550 38.487 -0.054 0.000 1.210 9 N HN 0.085 nan 8.380 nan 0.000 0.437 10 S N -1.329 114.373 115.700 0.003 0.000 2.436 10 S HA 0.074 5.016 4.470 0.787 0.000 0.228 10 S C 1.148 175.776 174.600 0.045 0.000 1.014 10 S CA 0.052 58.270 58.200 0.030 0.000 0.950 10 S CB -0.017 63.215 63.200 0.053 0.000 0.784 10 S HN 0.264 nan 8.310 nan 0.000 0.504 11 c N 2.862 121.504 118.600 0.070 0.000 3.253 11 c HA 0.425 5.468 4.570 0.787 0.000 0.230 11 c C -1.895 172.212 174.090 0.028 0.000 1.124 11 c CA -1.252 55.083 56.329 0.011 0.000 1.143 11 c CB 0.866 43.323 42.510 -0.089 0.000 1.794 11 c HN 0.335 nan 8.230 nan 0.000 0.617 12 P HA -0.133 nan 4.420 nan 0.000 0.219 12 P C 0.877 178.180 177.300 0.005 0.000 1.146 12 P CA 1.616 64.729 63.100 0.022 0.000 0.808 12 P CB -0.003 31.703 31.700 0.010 0.000 0.779 13 N N -0.259 118.433 118.700 -0.012 0.000 2.276 13 N HA -0.015 5.197 4.740 0.787 0.000 0.212 13 N C 1.437 176.922 175.510 -0.041 0.000 1.127 13 N CA -0.159 52.876 53.050 -0.024 0.000 0.834 13 N CB -0.642 37.831 38.487 -0.024 0.000 1.014 13 N HN -0.010 nan 8.380 nan 0.000 0.491 14 V N 1.711 121.593 119.914 -0.053 0.000 2.295 14 V HA -0.278 4.314 4.120 0.787 0.000 0.246 14 V C 2.548 178.597 176.094 -0.075 0.000 1.049 14 V CA 2.761 65.007 62.300 -0.090 0.000 1.024 14 V CB -0.735 30.993 31.823 -0.159 0.000 0.648 14 V HN 0.583 nan 8.190 nan 0.000 0.447 15 S N 0.267 115.933 115.700 -0.057 0.000 2.382 15 S HA -0.224 4.719 4.470 0.787 0.000 0.228 15 S C 1.797 176.358 174.600 -0.066 0.000 1.027 15 S CA 1.662 59.820 58.200 -0.070 0.000 0.991 15 S CB -0.873 62.286 63.200 -0.069 0.000 0.823 15 S HN 0.729 nan 8.310 nan 0.000 0.469 16 N N 1.846 120.515 118.700 -0.051 0.000 2.188 16 N HA 0.096 5.308 4.740 0.787 0.000 0.184 16 N C 1.805 177.289 175.510 -0.043 0.000 1.018 16 N CA 1.405 54.429 53.050 -0.043 0.000 0.858 16 N CB -0.400 38.067 38.487 -0.032 0.000 0.989 16 N HN 0.492 nan 8.380 nan 0.000 0.426 17 I N 0.608 121.150 120.570 -0.047 0.000 2.252 17 I HA -0.175 4.467 4.170 0.787 0.000 0.245 17 I C 2.144 178.232 176.117 -0.048 0.000 1.102 17 I CA 0.655 61.928 61.300 -0.045 0.000 1.385 17 I CB -0.200 37.770 38.000 -0.050 0.000 1.064 17 I HN -0.121 nan 8.210 nan 0.000 0.414 18 V N 0.998 120.876 119.914 -0.060 0.000 2.295 18 V HA -0.290 4.303 4.120 0.787 0.000 0.246 18 V C 2.658 178.718 176.094 -0.058 0.000 1.049 18 V CA 2.010 64.272 62.300 -0.063 0.000 1.024 18 V CB -0.776 30.998 31.823 -0.081 0.000 0.648 18 V HN 0.422 nan 8.190 nan 0.000 0.447 19 R N 0.100 120.563 120.500 -0.060 0.000 2.083 19 R HA -0.212 4.600 4.340 0.787 0.000 0.237 19 R C 2.072 178.349 176.300 -0.037 0.000 1.137 19 R CA 2.266 58.334 56.100 -0.053 0.000 0.951 19 R CB -0.447 29.821 30.300 -0.054 0.000 0.851 19 R HN 0.481 nan 8.270 nan 0.000 0.434 20 D N -0.377 120.003 120.400 -0.033 0.000 2.123 20 D HA -0.141 4.972 4.640 0.787 0.000 0.196 20 D C 1.794 178.081 176.300 -0.022 0.000 0.992 20 D CA 1.958 55.944 54.000 -0.025 0.000 0.833 20 D CB -0.467 40.320 40.800 -0.023 0.000 0.954 20 D HN 0.302 nan 8.370 nan 0.000 0.455 21 T N 0.777 115.315 114.554 -0.027 0.000 2.708 21 T HA -0.085 4.738 4.350 0.787 0.000 0.266 21 T C 2.206 176.893 174.700 -0.023 0.000 1.037 21 T CA 0.694 62.779 62.100 -0.024 0.000 1.146 21 T CB -0.202 68.650 68.868 -0.027 0.000 0.865 21 T HN 0.182 nan 8.240 nan 0.000 0.435 22 I N 0.754 121.308 120.570 -0.028 0.000 2.252 22 I HA -0.127 4.515 4.170 0.787 0.000 0.245 22 I C 2.470 178.578 176.117 -0.015 0.000 1.102 22 I CA 0.749 62.035 61.300 -0.025 0.000 1.385 22 I CB -0.504 37.478 38.000 -0.030 0.000 1.064 22 I HN 0.085 nan 8.210 nan 0.000 0.414 23 V N 1.404 121.310 119.914 -0.014 0.000 2.287 23 V HA -0.325 4.267 4.120 0.787 0.000 0.248 23 V C 2.289 178.380 176.094 -0.004 0.000 1.053 23 V CA 2.526 64.823 62.300 -0.006 0.000 1.027 23 V CB -0.970 30.849 31.823 -0.007 0.000 0.646 23 V HN 0.509 nan 8.190 nan 0.000 0.447 24 N N 0.403 119.099 118.700 -0.007 0.000 2.043 24 N HA -0.239 4.973 4.740 0.787 0.000 0.193 24 N C 1.819 177.326 175.510 -0.005 0.000 1.037 24 N CA 1.949 54.996 53.050 -0.005 0.000 0.851 24 N CB -0.266 38.217 38.487 -0.007 0.000 1.027 24 N HN 0.449 nan 8.380 nan 0.000 0.422 25 E N 0.309 120.504 120.200 -0.008 0.000 2.110 25 E HA -0.076 4.746 4.350 0.787 0.000 0.193 25 E C 1.944 178.540 176.600 -0.008 0.000 0.988 25 E CA 0.949 57.343 56.400 -0.010 0.000 0.804 25 E CB -0.490 29.201 29.700 -0.016 0.000 0.745 25 E HN 0.505 nan 8.360 nan 0.000 0.458 26 L N 0.046 121.265 121.223 -0.005 0.000 2.261 26 L HA -0.156 4.657 4.340 0.787 0.000 0.216 26 L C 2.497 179.370 176.870 0.005 0.000 1.114 26 L CA 1.098 55.938 54.840 0.000 0.000 0.777 26 L CB -0.242 41.822 42.059 0.009 0.000 0.910 26 L HN 0.123 nan 8.230 nan 0.000 0.440 27 R N -0.634 119.869 120.500 0.004 0.000 2.115 27 R HA -0.104 4.708 4.340 0.787 0.000 0.230 27 R C 2.385 178.688 176.300 0.005 0.000 1.111 27 R CA 1.660 57.764 56.100 0.006 0.000 0.976 27 R CB -0.202 30.101 30.300 0.005 0.000 0.870 27 R HN 0.468 nan 8.270 nan 0.000 0.445 28 S N -0.784 114.918 115.700 0.002 0.000 2.492 28 S HA -0.001 4.942 4.470 0.787 0.000 0.218 28 S C 0.299 174.899 174.600 -0.000 0.000 1.016 28 S CA -0.118 58.084 58.200 0.002 0.000 0.916 28 S CB 0.493 63.694 63.200 0.001 0.000 0.791 28 S HN 0.056 nan 8.310 nan 0.000 0.513 29 D N 1.542 121.940 120.400 -0.004 0.000 2.346 29 D HA 0.444 5.556 4.640 0.787 0.000 0.255 29 D C -2.614 173.679 176.300 -0.012 0.000 1.276 29 D CA -2.197 51.797 54.000 -0.010 0.000 0.941 29 D CB 1.785 42.575 40.800 -0.017 0.000 1.199 29 D HN -0.101 nan 8.370 nan 0.000 0.537 30 P HA -0.019 nan 4.420 nan 0.000 0.228 30 P C 1.090 178.379 177.300 -0.019 0.000 1.151 30 P CA 0.535 63.636 63.100 0.002 0.000 0.770 30 P CB 0.243 31.953 31.700 0.015 0.000 0.786 31 R N -0.541 119.934 120.500 -0.041 0.000 2.280 31 R HA 0.067 4.879 4.340 0.787 0.000 0.195 31 R C 1.871 178.093 176.300 -0.130 0.000 0.935 31 R CA 0.094 56.142 56.100 -0.087 0.000 1.033 31 R CB -0.532 29.731 30.300 -0.062 0.000 0.964 31 R HN 0.036 nan 8.270 nan 0.000 0.489 32 I N 1.375 121.891 120.570 -0.090 0.000 2.248 32 I HA -0.239 4.404 4.170 0.787 0.000 0.248 32 I C 1.977 178.025 176.117 -0.114 0.000 1.107 32 I CA 1.537 62.780 61.300 -0.095 0.000 1.373 32 I CB -0.264 37.700 38.000 -0.060 0.000 1.055 32 I HN 0.237 nan 8.210 nan 0.000 0.418 33 A N 0.237 122.993 122.820 -0.105 0.000 1.877 33 A HA -0.088 4.705 4.320 0.787 0.000 0.216 33 A C 2.515 179.980 177.584 -0.198 0.000 1.186 33 A CA 1.868 53.868 52.037 -0.063 0.000 0.620 33 A CB -1.305 17.740 19.000 0.075 0.000 0.822 33 A HN 0.516 nan 8.150 nan 0.000 0.443 34 A N -0.457 122.000 122.820 -0.605 0.000 1.877 34 A HA -0.077 4.715 4.320 0.787 0.000 0.216 34 A C 2.445 179.829 177.584 -0.333 0.000 1.186 34 A CA 2.110 53.573 52.037 -0.956 0.000 0.620 34 A CB -0.965 17.341 19.000 -1.156 0.000 0.822 34 A HN 0.462 nan 8.150 nan 0.000 0.443 35 S N -0.089 115.464 115.700 -0.246 0.000 2.370 35 S HA -0.142 4.800 4.470 0.787 0.000 0.226 35 S C 1.797 176.307 174.600 -0.150 0.000 1.033 35 S CA 1.593 59.689 58.200 -0.174 0.000 1.011 35 S CB -0.506 62.594 63.200 -0.165 0.000 0.852 35 S HN 0.538 nan 8.310 nan 0.000 0.457 36 I N 0.897 121.397 120.570 -0.116 0.000 2.252 36 I HA -0.149 4.494 4.170 0.787 0.000 0.245 36 I C 2.304 178.429 176.117 0.014 0.000 1.102 36 I CA 0.695 61.952 61.300 -0.071 0.000 1.385 36 I CB -0.306 37.660 38.000 -0.055 0.000 1.064 36 I HN 0.241 nan 8.210 nan 0.000 0.414 37 L N 1.110 122.376 121.223 0.071 0.000 2.042 37 L HA -0.214 4.599 4.340 0.787 0.000 0.210 37 L C 2.590 179.580 176.870 0.201 0.000 1.076 37 L CA 1.835 56.794 54.840 0.199 0.000 0.749 37 L CB -0.712 41.555 42.059 0.347 0.000 0.893 37 L HN 0.095 nan 8.230 nan 0.000 0.432 38 R N -0.745 119.811 120.500 0.092 0.000 2.096 38 R HA -0.117 4.696 4.340 0.787 0.000 0.235 38 R C 2.282 178.543 176.300 -0.064 0.000 1.127 38 R CA 1.532 57.659 56.100 0.044 0.000 0.968 38 R CB -0.281 29.964 30.300 -0.091 0.000 0.861 38 R HN 0.468 nan 8.270 nan 0.000 0.440 39 L N -0.592 120.588 121.223 -0.071 0.000 2.046 39 L HA -0.217 4.595 4.340 0.787 0.000 0.208 39 L C 2.542 179.476 176.870 0.107 0.000 1.077 39 L CA 1.609 56.419 54.840 -0.049 0.000 0.747 39 L CB -0.638 41.361 42.059 -0.099 0.000 0.896 39 L HN 0.345 nan 8.230 nan 0.000 0.432 40 H N -0.158 118.950 119.070 0.063 0.000 2.353 40 H HA -0.257 4.773 4.556 0.789 0.000 0.300 40 H C 1.923 177.361 175.328 0.184 0.000 1.090 40 H CA 1.807 57.921 56.048 0.110 0.000 1.327 40 H CB -0.210 29.614 29.762 0.104 0.000 1.383 40 H HN 0.285 nan 8.280 nan 0.000 0.508 41 F N 0.660 120.596 119.950 -0.023 0.000 2.102 41 F HA -0.172 4.821 4.527 0.777 0.000 0.298 41 F C 2.161 177.978 175.800 0.029 0.000 1.105 41 F CA 2.117 60.068 58.000 -0.082 0.000 1.239 41 F CB -1.029 37.928 39.000 -0.073 0.000 0.991 41 F HN 0.345 nan 8.300 nan 0.000 0.474 42 H N -1.346 117.460 119.070 -0.440 0.000 2.491 42 H HA -0.131 4.896 4.556 0.784 0.000 0.290 42 H C 1.601 176.818 175.328 -0.186 0.000 1.050 42 H CA 0.818 56.584 56.048 -0.470 0.000 1.309 42 H CB -0.009 29.597 29.762 -0.260 0.000 1.392 42 H HN 0.354 nan 8.280 nan 0.000 0.554 43 D N 0.350 120.773 120.400 0.038 0.000 2.106 43 D HA -0.105 5.007 4.640 0.787 0.000 0.203 43 D C 2.191 178.490 176.300 -0.001 0.000 0.977 43 D CA 0.807 54.836 54.000 0.048 0.000 0.844 43 D CB -0.466 40.391 40.800 0.095 0.000 1.002 43 D HN 0.220 nan 8.370 nan 0.000 0.461 44 c N -0.049 118.524 118.600 -0.044 0.000 2.419 44 c HA -0.051 4.991 4.570 0.787 0.000 0.281 44 c C 2.258 176.364 174.090 0.026 0.000 1.336 44 c CA 0.075 56.386 56.329 -0.029 0.000 1.770 44 c CB -1.564 40.898 42.510 -0.080 0.000 1.929 44 c HN 0.264 nan 8.230 nan 0.000 0.509 45 F N 0.449 120.267 119.950 -0.220 0.000 2.811 45 F HA 0.172 5.172 4.527 0.789 0.000 0.301 45 F C 0.693 176.366 175.800 -0.211 0.000 1.151 45 F CA 0.589 58.447 58.000 -0.236 0.000 1.412 45 F CB 0.025 38.817 39.000 -0.347 0.000 1.113 45 F HN -0.046 nan 8.300 nan 0.000 0.579 46 V N 0.273 120.152 119.914 -0.058 0.000 2.385 46 V HA 0.228 4.821 4.120 0.787 0.000 0.277 46 V C 0.179 176.153 176.094 -0.199 0.000 1.012 46 V CA -1.011 61.223 62.300 -0.110 0.000 0.832 46 V CB 0.951 32.751 31.823 -0.038 0.000 1.028 46 V HN 0.280 nan 8.190 nan 0.000 0.436 47 N N 3.365 121.870 118.700 -0.326 0.000 2.800 47 N HA -0.151 5.061 4.740 0.787 0.000 0.250 47 N C 0.383 175.752 175.510 -0.235 0.000 1.078 47 N CA 2.004 54.797 53.050 -0.429 0.000 0.804 47 N CB -0.756 37.206 38.487 -0.875 0.000 1.135 47 N HN 1.878 nan 8.380 nan 0.000 0.565 48 G N -1.885 106.812 108.800 -0.171 0.000 2.757 48 G HA2 -0.233 4.199 3.960 0.787 0.000 0.638 48 G HA3 -0.233 4.199 3.960 0.787 0.000 0.638 48 G C 0.010 174.876 174.900 -0.057 0.000 1.344 48 G CA -0.391 44.641 45.100 -0.114 0.000 0.855 48 G HN 0.882 nan 8.290 nan 0.000 0.537 49 c N 1.293 119.875 118.600 -0.030 0.000 2.305 49 c HA 0.491 5.534 4.570 0.787 0.000 0.378 49 c C 0.901 175.014 174.090 0.039 0.000 1.047 49 c CA 0.135 56.477 56.329 0.021 0.000 1.385 49 c CB -1.243 41.307 42.510 0.066 0.000 1.825 49 c HN 0.792 nan 8.230 nan 0.000 0.508 50 D N 0.527 120.953 120.400 0.044 0.000 2.563 50 D HA 0.261 5.374 4.640 0.787 0.000 0.237 50 D C 1.091 177.434 176.300 0.072 0.000 1.282 50 D CA 0.235 54.265 54.000 0.051 0.000 0.816 50 D CB -0.226 40.604 40.800 0.049 0.000 1.066 50 D HN 0.589 nan 8.370 nan 0.000 0.501 51 A N 0.708 123.580 122.820 0.087 0.000 2.816 51 A HA -0.295 4.498 4.320 0.787 0.000 0.270 51 A C 1.904 179.541 177.584 0.088 0.000 1.413 51 A CA 1.452 53.547 52.037 0.096 0.000 0.866 51 A CB -2.598 16.451 19.000 0.083 0.000 1.032 51 A HN 0.798 nan 8.150 nan 0.000 0.642 52 S N -0.548 115.211 115.700 0.098 0.000 2.399 52 S HA -0.105 4.837 4.470 0.787 0.000 0.231 52 S C 1.742 176.381 174.600 0.066 0.000 1.022 52 S CA 1.278 59.528 58.200 0.083 0.000 0.983 52 S CB -0.521 62.813 63.200 0.224 0.000 0.803 52 S HN 1.311 nan 8.310 nan 0.000 0.480 53 I N 0.834 121.469 120.570 0.108 0.000 2.614 53 I HA -0.021 4.621 4.170 0.787 0.000 0.258 53 I C 1.710 177.894 176.117 0.112 0.000 1.189 53 I CA 1.000 62.377 61.300 0.127 0.000 1.462 53 I CB -0.068 38.050 38.000 0.197 0.000 1.092 53 I HN 0.319 nan 8.210 nan 0.000 0.442 54 L N 0.581 121.874 121.223 0.117 0.000 2.478 54 L HA 0.034 4.846 4.340 0.787 0.000 0.223 54 L C 0.811 177.673 176.870 -0.014 0.000 1.140 54 L CA 0.040 54.932 54.840 0.087 0.000 0.842 54 L CB -0.367 41.773 42.059 0.136 0.000 0.953 54 L HN 0.144 nan 8.230 nan 0.000 0.452 55 L N 0.501 121.728 121.223 0.008 0.000 2.416 55 L HA 0.081 4.894 4.340 0.787 0.000 0.272 55 L C 0.086 176.962 176.870 0.010 0.000 1.161 55 L CA -0.039 54.825 54.840 0.040 0.000 0.845 55 L CB 0.399 42.523 42.059 0.109 0.000 1.119 55 L HN 0.041 nan 8.230 nan 0.000 0.464 56 D N 1.290 121.688 120.400 -0.003 0.000 2.432 56 D HA 0.176 5.288 4.640 0.787 0.000 0.258 56 D C 0.044 176.321 176.300 -0.039 0.000 1.146 56 D CA -0.501 53.466 54.000 -0.056 0.000 1.015 56 D CB 0.597 41.346 40.800 -0.084 0.000 1.107 56 D HN 0.358 nan 8.370 nan 0.000 0.529 57 N N -0.142 118.503 118.700 -0.091 0.000 2.374 57 N HA 0.075 5.288 4.740 0.787 0.000 0.241 57 N C 0.008 175.340 175.510 -0.296 0.000 1.262 57 N CA 0.564 53.518 53.050 -0.160 0.000 0.880 57 N CB 0.477 38.890 38.487 -0.123 0.000 1.105 57 N HN 0.426 nan 8.380 nan 0.000 0.438 58 T N -3.785 110.478 114.554 -0.485 0.000 2.841 58 T HA 0.296 5.119 4.350 0.787 0.000 0.296 58 T C 1.060 175.530 174.700 -0.383 0.000 1.166 58 T CA -0.540 61.251 62.100 -0.517 0.000 1.007 58 T CB 0.914 69.252 68.868 -0.883 0.000 1.253 58 T HN 0.426 nan 8.240 nan 0.000 0.511 59 T N -1.240 113.154 114.554 -0.267 0.000 3.072 59 T HA 0.019 4.841 4.350 0.787 0.000 0.266 59 T C 1.780 176.386 174.700 -0.156 0.000 1.127 59 T CA 1.156 63.153 62.100 -0.172 0.000 1.107 59 T CB -0.635 68.163 68.868 -0.117 0.000 0.910 59 T HN 0.788 nan 8.240 nan 0.000 0.513 60 S N 0.579 116.145 115.700 -0.223 0.000 2.497 60 S HA 0.367 5.309 4.470 0.787 0.000 0.221 60 S C 0.218 174.808 174.600 -0.017 0.000 1.037 60 S CA -0.821 57.315 58.200 -0.107 0.000 0.920 60 S CB -0.416 62.750 63.200 -0.057 0.000 0.800 60 S HN 0.701 nan 8.310 nan 0.000 0.505 61 F N 0.324 120.227 119.950 -0.078 0.000 2.601 61 F HA 0.823 5.821 4.527 0.785 0.000 0.309 61 F C -0.675 175.067 175.800 -0.096 0.000 1.089 61 F CA -1.615 56.326 58.000 -0.099 0.000 0.940 61 F CB 0.937 39.846 39.000 -0.151 0.000 1.273 61 F HN -0.306 nan 8.300 nan 0.000 0.450 62 R N 1.158 121.776 120.500 0.197 0.000 2.500 62 R HA 0.371 5.184 4.340 0.787 0.000 0.275 62 R C -0.052 176.348 176.300 0.167 0.000 1.051 62 R CA -0.599 55.561 56.100 0.099 0.000 1.088 62 R CB 1.361 31.680 30.300 0.031 0.000 1.063 62 R HN 0.941 nan 8.270 nan 0.000 0.511 63 T N 0.147 114.748 114.554 0.078 0.000 2.913 63 T HA 0.056 4.879 4.350 0.787 0.000 0.297 63 T C 1.017 175.719 174.700 0.004 0.000 1.029 63 T CA -0.206 61.926 62.100 0.053 0.000 1.104 63 T CB 0.498 69.355 68.868 -0.018 0.000 0.964 63 T HN 0.480 nan 8.240 nan 0.000 0.532 64 E N 1.921 122.121 120.200 0.002 0.000 2.418 64 E HA -0.045 4.777 4.350 0.787 0.000 0.197 64 E C 1.840 178.442 176.600 0.004 0.000 1.026 64 E CA 0.578 56.982 56.400 0.007 0.000 0.862 64 E CB 0.157 29.881 29.700 0.039 0.000 0.799 64 E HN 0.636 nan 8.360 nan 0.000 0.518 65 K N 0.668 121.051 120.400 -0.028 0.000 2.360 65 K HA -0.108 4.685 4.320 0.787 0.000 0.201 65 K C 0.724 177.319 176.600 -0.009 0.000 1.046 65 K CA 0.759 57.031 56.287 -0.025 0.000 0.945 65 K CB 0.173 32.576 32.500 -0.162 0.000 0.750 65 K HN 0.046 nan 8.250 nan 0.000 0.464 66 D N 0.407 120.780 120.400 -0.045 0.000 2.342 66 D HA 0.097 5.209 4.640 0.787 0.000 0.221 66 D C 0.006 176.204 176.300 -0.169 0.000 1.101 66 D CA 0.079 54.030 54.000 -0.081 0.000 0.837 66 D CB 0.325 41.073 40.800 -0.087 0.000 0.938 66 D HN 0.126 nan 8.370 nan 0.000 0.508 67 A N -0.197 122.547 122.820 -0.127 0.000 2.366 67 A HA 0.202 4.994 4.320 0.787 0.000 0.249 67 A C 0.808 178.295 177.584 -0.161 0.000 1.084 67 A CA -0.310 51.609 52.037 -0.197 0.000 0.794 67 A CB 0.148 19.106 19.000 -0.069 0.000 1.034 67 A HN -0.017 nan 8.150 nan 0.000 0.491 68 F N 1.241 121.234 119.950 0.072 0.000 2.202 68 F HA -0.051 4.979 4.527 0.838 0.000 0.301 68 F C 2.404 178.266 175.800 0.104 0.000 1.082 68 F CA 1.929 59.989 58.000 0.101 0.000 1.313 68 F CB -0.619 38.449 39.000 0.113 0.000 1.024 68 F HN 0.615 nan 8.300 nan 0.000 0.495 69 G N -1.314 107.602 108.800 0.193 0.000 2.880 69 G HA2 -0.084 4.348 3.960 0.787 0.000 0.209 69 G HA3 -0.084 4.348 3.960 0.787 0.000 0.209 69 G C 1.451 176.472 174.900 0.202 0.000 1.157 69 G CA 0.301 45.470 45.100 0.115 0.000 0.779 69 G HN 0.236 nan 8.290 nan 0.000 0.539 70 N N 0.445 119.251 118.700 0.176 0.000 2.564 70 N HA 0.134 5.347 4.740 0.787 0.000 0.202 70 N C 1.254 176.880 175.510 0.193 0.000 1.052 70 N CA 0.319 53.505 53.050 0.227 0.000 0.872 70 N CB 0.027 38.640 38.487 0.210 0.000 1.303 70 N HN 0.171 nan 8.380 nan 0.000 0.440 71 A N 1.875 124.777 122.820 0.136 0.000 2.567 71 A HA 0.028 4.821 4.320 0.787 0.000 0.240 71 A C 0.763 178.438 177.584 0.153 0.000 1.053 71 A CA 0.249 52.356 52.037 0.117 0.000 0.755 71 A CB -0.532 18.509 19.000 0.068 0.000 0.978 71 A HN 0.509 nan 8.150 nan 0.000 0.507 72 N N 0.355 119.135 118.700 0.134 0.000 2.710 72 N HA -0.196 5.016 4.740 0.787 0.000 0.249 72 N C 0.347 175.951 175.510 0.157 0.000 1.059 72 N CA 1.697 54.823 53.050 0.127 0.000 0.720 72 N CB -0.955 37.598 38.487 0.109 0.000 0.983 72 N HN 0.826 nan 8.380 nan 0.000 0.544 73 S N -2.355 113.447 115.700 0.170 0.000 4.074 73 S HA 0.508 5.451 4.470 0.787 0.000 0.220 73 S C 0.073 174.745 174.600 0.120 0.000 1.164 73 S CA 0.458 58.764 58.200 0.177 0.000 1.020 73 S CB -0.479 62.863 63.200 0.237 0.000 1.299 73 S HN 0.682 nan 8.310 nan 0.000 0.509 74 A N 3.122 126.026 122.820 0.139 0.000 2.445 74 A HA 0.643 5.435 4.320 0.787 0.000 0.242 74 A C 0.290 177.873 177.584 -0.001 0.000 1.075 74 A CA -0.061 52.005 52.037 0.048 0.000 0.777 74 A CB -0.026 19.087 19.000 0.189 0.000 1.013 74 A HN 0.744 nan 8.150 nan 0.000 0.493 75 R N 0.149 120.503 120.500 -0.244 0.000 2.733 75 R HA 0.696 5.508 4.340 0.787 0.000 0.272 75 R C 0.356 176.381 176.300 -0.459 0.000 1.029 75 R CA -0.376 55.570 56.100 -0.257 0.000 0.888 75 R CB 0.582 30.831 30.300 -0.084 0.000 1.251 75 R HN 2.057 nan 8.270 nan 0.000 0.464 76 G N -0.209 108.413 108.800 -0.297 0.000 2.176 76 G HA2 -0.252 4.180 3.960 0.787 0.000 0.232 76 G HA3 -0.252 4.180 3.960 0.787 0.000 0.232 76 G C 0.169 174.943 174.900 -0.209 0.000 0.986 76 G CA 0.210 45.166 45.100 -0.240 0.000 0.643 76 G HN 0.441 nan 8.290 nan 0.000 0.522 77 F N 1.390 121.345 119.950 0.008 0.000 2.126 77 F HA 0.050 5.046 4.527 0.781 0.000 0.299 77 F C 0.654 176.459 175.800 0.007 0.000 1.096 77 F CA 1.972 59.979 58.000 0.011 0.000 1.255 77 F CB -1.506 37.504 39.000 0.016 0.000 0.997 77 F HN 0.242 nan 8.300 nan 0.000 0.479 78 P HA -0.108 nan 4.420 nan 0.000 0.218 78 P C 1.913 179.245 177.300 0.053 0.000 1.149 78 P CA 1.174 64.332 63.100 0.095 0.000 0.817 78 P CB 0.012 31.755 31.700 0.072 0.000 0.785 79 V N -0.207 119.723 119.914 0.028 0.000 2.427 79 V HA -0.196 4.396 4.120 0.787 0.000 0.248 79 V C 2.255 178.353 176.094 0.006 0.000 1.051 79 V CA 1.429 63.730 62.300 0.002 0.000 1.048 79 V CB -1.020 30.788 31.823 -0.025 0.000 0.666 79 V HN 0.059 nan 8.190 nan 0.000 0.456 80 I N 0.218 120.801 120.570 0.022 0.000 2.315 80 I HA -0.157 4.486 4.170 0.787 0.000 0.248 80 I C 2.250 178.390 176.117 0.039 0.000 1.117 80 I CA 1.423 62.742 61.300 0.031 0.000 1.404 80 I CB -1.235 36.805 38.000 0.067 0.000 1.071 80 I HN 0.338 nan 8.210 nan 0.000 0.419 81 D N 0.536 120.970 120.400 0.056 0.000 2.117 81 D HA -0.189 4.923 4.640 0.787 0.000 0.197 81 D C 2.275 178.587 176.300 0.021 0.000 0.987 81 D CA 0.962 54.987 54.000 0.043 0.000 0.829 81 D CB -0.192 40.638 40.800 0.049 0.000 0.961 81 D HN 0.283 nan 8.370 nan 0.000 0.460 82 R N 0.546 121.056 120.500 0.016 0.000 2.073 82 R HA -0.120 4.693 4.340 0.787 0.000 0.234 82 R C 2.539 178.835 176.300 -0.005 0.000 1.134 82 R CA 1.607 57.710 56.100 0.005 0.000 0.952 82 R CB -0.156 30.145 30.300 0.002 0.000 0.850 82 R HN 0.239 nan 8.270 nan 0.000 0.433 83 M N -0.313 119.282 119.600 -0.010 0.000 2.229 83 M HA -0.032 4.920 4.480 0.787 0.000 0.264 83 M C 1.999 178.284 176.300 -0.025 0.000 1.063 83 M CA 1.672 56.959 55.300 -0.022 0.000 1.114 83 M CB -0.271 32.311 32.600 -0.030 0.000 1.387 83 M HN -0.147 nan 8.290 nan 0.000 0.420 84 K N 1.590 121.982 120.400 -0.014 0.000 2.057 84 K HA 0.019 4.811 4.320 0.787 0.000 0.207 84 K C 2.024 178.613 176.600 -0.017 0.000 1.049 84 K CA 2.069 58.346 56.287 -0.016 0.000 0.931 84 K CB -0.748 31.753 32.500 0.002 0.000 0.714 84 K HN 0.436 nan 8.250 nan 0.000 0.440 85 A N 0.490 123.304 122.820 -0.009 0.000 1.902 85 A HA -0.005 4.788 4.320 0.787 0.000 0.217 85 A C 2.379 179.954 177.584 -0.016 0.000 1.181 85 A CA 1.977 54.009 52.037 -0.009 0.000 0.623 85 A CB -1.032 17.966 19.000 -0.004 0.000 0.818 85 A HN 0.437 nan 8.150 nan 0.000 0.443 86 A N -0.712 122.097 122.820 -0.020 0.000 1.930 86 A HA 0.051 4.844 4.320 0.787 0.000 0.217 86 A C 2.173 179.737 177.584 -0.034 0.000 1.175 86 A CA 1.690 53.713 52.037 -0.024 0.000 0.627 86 A CB -0.705 18.280 19.000 -0.025 0.000 0.815 86 A HN 0.369 nan 8.150 nan 0.000 0.443 87 V N -0.000 119.888 119.914 -0.044 0.000 2.453 87 V HA -0.133 4.460 4.120 0.787 0.000 0.247 87 V C 2.437 178.498 176.094 -0.055 0.000 1.048 87 V CA 1.749 64.011 62.300 -0.063 0.000 1.049 87 V CB -0.574 31.196 31.823 -0.088 0.000 0.672 87 V HN 0.463 nan 8.190 nan 0.000 0.457 88 E N 0.290 120.467 120.200 -0.039 0.000 2.153 88 E HA -0.130 4.693 4.350 0.787 0.000 0.194 88 E C 2.461 179.047 176.600 -0.023 0.000 0.988 88 E CA 1.350 57.733 56.400 -0.028 0.000 0.811 88 E CB -0.179 29.511 29.700 -0.017 0.000 0.746 88 E HN 0.553 nan 8.360 nan 0.000 0.466 89 S N 0.503 116.190 115.700 -0.022 0.000 2.387 89 S HA -0.030 4.913 4.470 0.787 0.000 0.226 89 S C 2.016 176.604 174.600 -0.021 0.000 1.026 89 S CA 0.853 59.042 58.200 -0.018 0.000 0.972 89 S CB 0.029 63.219 63.200 -0.016 0.000 0.814 89 S HN 0.376 nan 8.310 nan 0.000 0.477 90 A N 0.701 123.505 122.820 -0.028 0.000 1.897 90 A HA -0.003 4.790 4.320 0.787 0.000 0.215 90 A C 1.357 178.924 177.584 -0.029 0.000 1.181 90 A CA 1.116 53.136 52.037 -0.029 0.000 0.620 90 A CB -0.515 18.463 19.000 -0.037 0.000 0.821 90 A HN 0.756 nan 8.150 nan 0.000 0.443 91 c N -3.172 115.406 118.600 -0.037 0.000 3.123 91 c HA 0.601 5.643 4.570 0.787 0.000 0.284 91 c C -3.257 170.816 174.090 -0.027 0.000 1.076 91 c CA -2.815 53.495 56.329 -0.033 0.000 1.416 91 c CB 0.177 42.658 42.510 -0.048 0.000 1.841 91 c HN 0.155 nan 8.230 nan 0.000 0.501 92 P HA 0.149 nan 4.420 nan 0.000 0.264 92 P C 0.329 177.632 177.300 0.004 0.000 1.183 92 P CA 0.856 63.952 63.100 -0.006 0.000 0.763 92 P CB 0.281 31.980 31.700 -0.002 0.000 0.807 93 R N 0.576 121.081 120.500 0.008 0.000 3.405 93 R HA -0.188 4.625 4.340 0.787 0.000 0.258 93 R C 0.407 176.733 176.300 0.044 0.000 1.030 93 R CA 0.912 57.027 56.100 0.024 0.000 0.691 93 R CB -2.699 27.618 30.300 0.027 0.000 1.093 93 R HN 0.528 nan 8.270 nan 0.000 0.448 94 T N -1.510 113.063 114.554 0.032 0.000 3.138 94 T HA 0.128 4.950 4.350 0.787 0.000 0.245 94 T C 0.644 175.404 174.700 0.100 0.000 0.982 94 T CA 0.386 62.532 62.100 0.075 0.000 1.134 94 T CB 0.649 69.535 68.868 0.031 0.000 1.032 94 T HN 0.050 nan 8.240 nan 0.000 0.442 95 V N 4.339 124.193 119.914 -0.100 0.000 2.406 95 V HA 0.427 5.020 4.120 0.787 0.000 0.272 95 V C 0.490 176.570 176.094 -0.022 0.000 1.043 95 V CA -1.054 61.104 62.300 -0.238 0.000 0.915 95 V CB 0.858 32.389 31.823 -0.488 0.000 0.988 95 V HN 0.582 nan 8.190 nan 0.000 0.466 96 S N 3.490 119.255 115.700 0.107 0.000 2.584 96 S HA 0.043 4.986 4.470 0.787 0.000 0.270 96 S C 1.226 175.854 174.600 0.047 0.000 1.346 96 S CA -0.410 57.841 58.200 0.084 0.000 1.018 96 S CB 0.826 64.087 63.200 0.102 0.000 0.899 96 S HN 0.727 nan 8.310 nan 0.000 0.542 97 c N 1.625 120.252 118.600 0.044 0.000 2.435 97 c HA 0.046 5.088 4.570 0.787 0.000 0.279 97 c C 3.118 177.242 174.090 0.057 0.000 1.321 97 c CA 0.840 57.195 56.329 0.044 0.000 1.752 97 c CB -2.098 40.444 42.510 0.053 0.000 1.959 97 c HN 1.014 nan 8.230 nan 0.000 0.500 98 A N 0.898 123.756 122.820 0.064 0.000 1.883 98 A HA -0.217 4.575 4.320 0.787 0.000 0.217 98 A C 1.818 179.445 177.584 0.072 0.000 1.186 98 A CA 2.231 54.314 52.037 0.077 0.000 0.624 98 A CB -0.576 18.460 19.000 0.060 0.000 0.822 98 A HN 0.513 nan 8.150 nan 0.000 0.444 99 D N -0.669 119.770 120.400 0.066 0.000 2.149 99 D HA -0.085 5.028 4.640 0.787 0.000 0.201 99 D C 1.865 178.178 176.300 0.022 0.000 0.972 99 D CA 1.029 55.074 54.000 0.074 0.000 0.835 99 D CB -0.377 40.551 40.800 0.212 0.000 0.966 99 D HN 0.317 nan 8.370 nan 0.000 0.476 100 L N 0.584 121.809 121.223 0.003 0.000 2.012 100 L HA -0.153 4.659 4.340 0.787 0.000 0.210 100 L C 2.092 178.934 176.870 -0.047 0.000 1.073 100 L CA 1.306 56.123 54.840 -0.038 0.000 0.748 100 L CB -0.523 41.517 42.059 -0.033 0.000 0.891 100 L HN 0.023 nan 8.230 nan 0.000 0.431 101 L N -1.243 119.973 121.223 -0.012 0.000 2.141 101 L HA -0.144 4.669 4.340 0.787 0.000 0.209 101 L C 2.283 179.063 176.870 -0.149 0.000 1.094 101 L CA 2.251 57.084 54.840 -0.012 0.000 0.763 101 L CB -0.990 41.124 42.059 0.091 0.000 0.908 101 L HN 0.327 nan 8.230 nan 0.000 0.437 102 T N -0.215 114.216 114.554 -0.205 0.000 2.737 102 T HA -0.118 4.704 4.350 0.787 0.000 0.265 102 T C 1.980 176.444 174.700 -0.394 0.000 1.038 102 T CA 1.945 63.731 62.100 -0.524 0.000 1.144 102 T CB -0.265 68.475 68.868 -0.213 0.000 0.866 102 T HN 0.308 nan 8.240 nan 0.000 0.434 103 I N 1.409 121.841 120.570 -0.230 0.000 2.226 103 I HA -0.159 4.484 4.170 0.787 0.000 0.245 103 I C 2.931 178.914 176.117 -0.224 0.000 1.100 103 I CA 1.014 62.180 61.300 -0.223 0.000 1.374 103 I CB -0.487 37.430 38.000 -0.138 0.000 1.057 103 I HN 0.186 nan 8.210 nan 0.000 0.413 104 A N 0.824 123.541 122.820 -0.171 0.000 1.940 104 A HA -0.191 4.602 4.320 0.787 0.000 0.219 104 A C 2.540 180.043 177.584 -0.134 0.000 1.176 104 A CA 1.964 53.923 52.037 -0.129 0.000 0.631 104 A CB -0.780 18.169 19.000 -0.085 0.000 0.814 104 A HN 0.442 nan 8.150 nan 0.000 0.446 105 A N -1.062 121.653 122.820 -0.176 0.000 1.873 105 A HA -0.191 4.601 4.320 0.787 0.000 0.215 105 A C 2.223 179.731 177.584 -0.127 0.000 1.186 105 A CA 1.760 53.734 52.037 -0.104 0.000 0.616 105 A CB -0.520 18.396 19.000 -0.139 0.000 0.823 105 A HN 0.558 nan 8.150 nan 0.000 0.442 106 Q N -0.617 119.000 119.800 -0.305 0.000 2.050 106 Q HA -0.216 4.597 4.340 0.787 0.000 0.202 106 Q C 2.018 177.771 176.000 -0.412 0.000 0.980 106 Q CA 1.811 57.278 55.803 -0.559 0.000 0.840 106 Q CB -0.345 27.789 28.738 -1.007 0.000 0.898 106 Q HN 0.644 nan 8.270 nan 0.000 0.424 107 Q N 0.038 119.658 119.800 -0.300 0.000 2.124 107 Q HA -0.061 4.751 4.340 0.787 0.000 0.202 107 Q C 2.225 178.153 176.000 -0.119 0.000 0.977 107 Q CA 1.364 57.047 55.803 -0.199 0.000 0.850 107 Q CB -0.217 28.428 28.738 -0.154 0.000 0.901 107 Q HN 0.304 nan 8.270 nan 0.000 0.429 108 S N 0.312 115.964 115.700 -0.080 0.000 2.356 108 S HA -0.093 4.849 4.470 0.787 0.000 0.223 108 S C 2.191 176.815 174.600 0.039 0.000 1.032 108 S CA 1.056 59.262 58.200 0.010 0.000 1.005 108 S CB -0.191 63.039 63.200 0.051 0.000 0.867 108 S HN 0.139 nan 8.310 nan 0.000 0.449 109 V N 1.720 121.599 119.914 -0.058 0.000 2.295 109 V HA -0.195 4.397 4.120 0.787 0.000 0.246 109 V C 2.530 178.432 176.094 -0.320 0.000 1.049 109 V CA 2.163 64.272 62.300 -0.318 0.000 1.024 109 V CB -1.298 30.262 31.823 -0.438 0.000 0.648 109 V HN 0.514 nan 8.190 nan 0.000 0.447 110 T N 0.307 114.738 114.554 -0.205 0.000 2.708 110 T HA -0.134 4.689 4.350 0.787 0.000 0.266 110 T C 1.892 176.554 174.700 -0.063 0.000 1.037 110 T CA 1.489 63.506 62.100 -0.139 0.000 1.146 110 T CB -0.326 68.469 68.868 -0.122 0.000 0.865 110 T HN 0.287 nan 8.240 nan 0.000 0.435 111 L N 0.707 121.909 121.223 -0.036 0.000 2.191 111 L HA -0.050 4.762 4.340 0.787 0.000 0.212 111 L C 2.670 179.575 176.870 0.059 0.000 1.103 111 L CA 0.928 55.775 54.840 0.011 0.000 0.769 111 L CB -0.474 41.593 42.059 0.013 0.000 0.908 111 L HN 0.241 nan 8.230 nan 0.000 0.438 112 A N -0.791 122.084 122.820 0.091 0.000 2.238 112 A HA 0.308 5.101 4.320 0.787 0.000 0.208 112 A C 1.656 179.328 177.584 0.146 0.000 1.177 112 A CA 0.772 52.916 52.037 0.180 0.000 0.804 112 A CB -0.315 18.904 19.000 0.365 0.000 0.823 112 A HN 0.524 nan 8.150 nan 0.000 0.482 113 G N -2.316 106.535 108.800 0.085 0.000 2.179 113 G HA2 -0.008 4.425 3.960 0.787 0.000 0.220 113 G HA3 -0.008 4.425 3.960 0.787 0.000 0.220 113 G C 0.717 175.696 174.900 0.131 0.000 0.990 113 G CA 0.150 45.324 45.100 0.123 0.000 0.646 113 G HN 1.257 nan 8.290 nan 0.000 0.517 114 G N 0.233 108.970 108.800 -0.105 0.000 2.535 114 G HA2 0.700 5.133 3.960 0.787 0.000 0.282 114 G HA3 0.700 5.133 3.960 0.787 0.000 0.282 114 G C -1.652 172.934 174.900 -0.524 0.000 1.350 114 G CA -0.446 44.326 45.100 -0.547 0.000 1.039 114 G HN 0.277 nan 8.290 nan 0.000 0.509 115 P HA 0.171 nan 4.420 nan 0.000 0.272 115 P C -0.551 176.792 177.300 0.072 0.000 1.230 115 P CA -0.004 62.920 63.100 -0.293 0.000 0.788 115 P CB 1.430 32.881 31.700 -0.414 0.000 0.949 116 S N 1.778 117.578 115.700 0.166 0.000 2.473 116 S HA 0.745 5.688 4.470 0.787 0.000 0.307 116 S C -1.376 173.419 174.600 0.325 0.000 1.094 116 S CA -0.590 57.713 58.200 0.172 0.000 1.070 116 S CB 0.008 63.242 63.200 0.056 0.000 1.019 116 S HN 0.620 nan 8.310 nan 0.000 0.480 117 W N 3.548 124.800 121.300 -0.080 0.000 3.059 117 W HA 0.603 5.734 4.660 0.785 0.000 0.329 117 W C -1.784 174.705 176.519 -0.050 0.000 1.246 117 W CA -1.089 56.222 57.345 -0.058 0.000 1.190 117 W CB 0.589 30.009 29.460 -0.066 0.000 1.423 117 W HN 0.475 nan 8.180 nan 0.000 0.571 118 R N 2.711 123.200 120.500 -0.019 0.000 2.207 118 R HA 0.449 5.261 4.340 0.787 0.000 0.334 118 R C 0.088 176.336 176.300 -0.086 0.000 1.013 118 R CA -0.808 55.214 56.100 -0.130 0.000 0.858 118 R CB 1.398 31.690 30.300 -0.014 0.000 1.094 118 R HN 0.538 nan 8.270 nan 0.000 0.457 119 V N 1.430 121.193 119.914 -0.253 0.000 2.775 119 V HA 0.319 4.911 4.120 0.787 0.000 0.299 119 V C -2.223 173.875 176.094 0.007 0.000 1.062 119 V CA -2.168 60.089 62.300 -0.072 0.000 1.063 119 V CB 0.544 32.270 31.823 -0.162 0.000 0.994 119 V HN 0.535 nan 8.190 nan 0.000 0.483 120 P HA 0.428 nan 4.420 nan 0.000 0.269 120 P C -0.650 176.638 177.300 -0.020 0.000 1.209 120 P CA 0.108 63.221 63.100 0.022 0.000 0.776 120 P CB 0.535 32.252 31.700 0.028 0.000 0.876 121 L N 0.912 122.096 121.223 -0.066 0.000 2.277 121 L HA 0.762 5.574 4.340 0.787 0.000 0.254 121 L C 1.043 177.616 176.870 -0.495 0.000 1.044 121 L CA -0.580 54.158 54.840 -0.171 0.000 0.842 121 L CB 1.914 43.930 42.059 -0.071 0.000 1.422 121 L HN 0.623 nan 8.230 nan 0.000 0.422 122 G N 0.210 108.487 108.800 -0.871 0.000 2.198 122 G HA2 -0.133 4.299 3.960 0.787 0.000 0.156 122 G HA3 -0.133 4.299 3.960 0.787 0.000 0.156 122 G C 0.010 174.510 174.900 -0.667 0.000 1.012 122 G CA -0.666 43.528 45.100 -1.509 0.000 0.692 122 G HN 0.446 nan 8.290 nan 0.000 0.492 123 R N 0.150 120.444 120.500 -0.344 0.000 2.641 123 R HA 0.711 5.524 4.340 0.787 0.000 0.269 123 R C 0.563 176.806 176.300 -0.095 0.000 1.074 123 R CA 0.029 56.036 56.100 -0.156 0.000 1.133 123 R CB 0.664 30.929 30.300 -0.059 0.000 1.029 123 R HN 0.257 nan 8.270 nan 0.000 0.488 124 R N 0.244 120.717 120.500 -0.045 0.000 2.892 124 R HA 0.268 5.081 4.340 0.787 0.000 0.265 124 R C -1.009 175.304 176.300 0.021 0.000 1.025 124 R CA -0.984 55.117 56.100 0.001 0.000 0.982 124 R CB 1.347 31.649 30.300 0.004 0.000 1.185 124 R HN 0.525 nan 8.270 nan 0.000 0.484 125 D N 0.972 121.393 120.400 0.035 0.000 2.256 125 D HA 0.082 5.194 4.640 0.787 0.000 0.250 125 D C 0.126 176.448 176.300 0.037 0.000 1.093 125 D CA -0.035 53.989 54.000 0.040 0.000 0.882 125 D CB 1.525 42.352 40.800 0.044 0.000 1.185 125 D HN 0.493 nan 8.370 nan 0.000 0.437 126 S N 1.135 116.861 115.700 0.043 0.000 2.580 126 S HA 0.098 5.040 4.470 0.787 0.000 0.266 126 S C 0.983 175.580 174.600 -0.005 0.000 1.354 126 S CA -0.385 57.840 58.200 0.043 0.000 1.008 126 S CB 0.610 63.866 63.200 0.093 0.000 0.898 126 S HN 0.459 nan 8.310 nan 0.000 0.555 127 L N 0.855 122.059 121.223 -0.031 0.000 2.667 127 L HA 0.301 5.113 4.340 0.787 0.000 0.232 127 L C 0.771 177.535 176.870 -0.177 0.000 1.138 127 L CA -0.194 54.618 54.840 -0.047 0.000 0.921 127 L CB -0.634 41.419 42.059 -0.009 0.000 1.180 127 L HN 0.840 nan 8.230 nan 0.000 0.487 128 Q N -0.954 118.591 119.800 -0.425 0.000 2.687 128 Q HA 0.738 5.551 4.340 0.787 0.000 0.295 128 Q C -1.653 173.564 176.000 -1.304 0.000 0.920 128 Q CA -0.917 54.226 55.803 -1.100 0.000 0.766 128 Q CB 2.157 30.322 28.738 -0.955 0.000 1.467 128 Q HN -0.082 nan 8.270 nan 0.000 0.415 129 A N 0.662 122.427 122.820 -1.758 0.000 2.330 129 A HA 0.835 5.628 4.320 0.787 0.000 0.329 129 A C -1.372 175.562 177.584 -1.085 0.000 1.135 129 A CA -0.700 50.739 52.037 -0.997 0.000 0.817 129 A CB 0.709 19.441 19.000 -0.446 0.000 1.269 129 A HN 0.535 nan 8.150 nan 0.000 0.469 130 F N 2.029 121.881 119.950 -0.165 0.000 2.550 130 F HA 0.263 5.260 4.527 0.784 0.000 0.348 130 F C 0.846 176.613 175.800 -0.055 0.000 1.219 130 F CA -0.478 57.461 58.000 -0.101 0.000 1.203 130 F CB 1.100 40.045 39.000 -0.092 0.000 1.436 130 F HN 0.502 nan 8.300 nan 0.000 0.541 131 L N 1.040 122.298 121.223 0.058 0.000 2.017 131 L HA -0.141 4.671 4.340 0.787 0.000 0.208 131 L C 1.846 178.746 176.870 0.049 0.000 1.073 131 L CA 2.144 57.005 54.840 0.035 0.000 0.745 131 L CB -0.379 41.683 42.059 0.004 0.000 0.894 131 L HN 0.338 nan 8.230 nan 0.000 0.432 132 D N -0.539 119.904 120.400 0.071 0.000 2.123 132 D HA -0.201 4.911 4.640 0.787 0.000 0.196 132 D C 2.214 178.567 176.300 0.088 0.000 0.992 132 D CA 1.505 55.553 54.000 0.081 0.000 0.833 132 D CB -0.219 40.631 40.800 0.084 0.000 0.954 132 D HN 0.317 nan 8.370 nan 0.000 0.455 133 L N 0.831 122.114 121.223 0.100 0.000 2.131 133 L HA -0.054 4.759 4.340 0.787 0.000 0.210 133 L C 2.126 179.021 176.870 0.042 0.000 1.092 133 L CA 1.419 56.295 54.840 0.059 0.000 0.759 133 L CB -0.626 41.448 42.059 0.024 0.000 0.903 133 L HN -0.051 nan 8.230 nan 0.000 0.435 134 A N -0.674 122.175 122.820 0.049 0.000 1.898 134 A HA -0.185 4.607 4.320 0.787 0.000 0.216 134 A C 2.067 179.664 177.584 0.021 0.000 1.181 134 A CA 1.673 53.712 52.037 0.002 0.000 0.620 134 A CB -0.665 18.331 19.000 -0.007 0.000 0.819 134 A HN 0.553 nan 8.150 nan 0.000 0.442 135 N N 0.325 119.069 118.700 0.074 0.000 2.244 135 N HA -0.062 5.151 4.740 0.787 0.000 0.183 135 N C 1.730 177.349 175.510 0.182 0.000 1.016 135 N CA 1.423 54.580 53.050 0.177 0.000 0.866 135 N CB -0.387 38.246 38.487 0.243 0.000 0.980 135 N HN 0.492 nan 8.380 nan 0.000 0.430 136 A N 0.536 123.435 122.820 0.131 0.000 1.935 136 A HA 0.049 4.841 4.320 0.787 0.000 0.214 136 A C 1.850 179.513 177.584 0.131 0.000 1.178 136 A CA 0.887 53.003 52.037 0.132 0.000 0.640 136 A CB -0.057 19.001 19.000 0.096 0.000 0.825 136 A HN 0.161 nan 8.150 nan 0.000 0.447 137 N N -0.355 118.399 118.700 0.089 0.000 2.405 137 N HA 0.160 5.372 4.740 0.787 0.000 0.175 137 N C 0.110 175.703 175.510 0.137 0.000 1.051 137 N CA 0.195 53.308 53.050 0.105 0.000 0.899 137 N CB -0.147 38.364 38.487 0.041 0.000 1.000 137 N HN 0.376 nan 8.380 nan 0.000 0.451 138 L N 3.336 124.561 121.223 0.003 0.000 2.360 138 L HA 0.247 5.059 4.340 0.787 0.000 0.276 138 L C -1.840 174.961 176.870 -0.114 0.000 1.121 138 L CA -1.481 53.268 54.840 -0.150 0.000 0.845 138 L CB 0.407 42.246 42.059 -0.367 0.000 1.143 138 L HN -0.036 nan 8.230 nan 0.000 0.452 139 P HA 0.211 nan 4.420 nan 0.000 0.272 139 P C -0.975 175.840 177.300 -0.807 0.000 1.223 139 P CA -0.422 62.416 63.100 -0.436 0.000 0.784 139 P CB 1.398 33.106 31.700 0.013 0.000 0.923 140 A N 3.542 125.312 122.820 -1.750 0.000 2.320 140 A HA 0.563 5.355 4.320 0.787 0.000 0.334 140 A C -1.532 175.478 177.584 -0.957 0.000 1.147 140 A CA -1.731 49.530 52.037 -1.293 0.000 0.820 140 A CB 0.585 18.553 19.000 -1.719 0.000 1.218 140 A HN 0.367 nan 8.150 nan 0.000 0.482 141 P HA -0.141 nan 4.420 nan 0.000 0.221 141 P C 0.765 178.083 177.300 0.029 0.000 1.145 141 P CA 1.312 64.322 63.100 -0.151 0.000 0.795 141 P CB -0.147 31.528 31.700 -0.040 0.000 0.775 142 F N -3.500 116.557 119.950 0.177 0.000 2.797 142 F HA 0.352 4.949 4.527 0.117 0.000 0.302 142 F C 0.641 176.665 175.800 0.373 0.000 1.130 142 F CA -1.511 56.648 58.000 0.265 0.000 1.387 142 F CB -1.347 37.785 39.000 0.220 0.000 1.107 142 F HN -0.361 nan 8.300 nan 0.000 0.577 143 F N 2.764 122.685 119.950 -0.049 0.000 2.563 143 F HA 0.233 5.249 4.527 0.816 0.000 0.363 143 F C 1.403 177.279 175.800 0.127 0.000 1.123 143 F CA -1.195 56.835 58.000 0.049 0.000 1.307 143 F CB 0.467 39.454 39.000 -0.021 0.000 1.115 143 F HN 0.091 nan 8.300 nan 0.000 0.592 144 T N 1.067 115.762 114.554 0.235 0.000 2.816 144 T HA 0.241 5.063 4.350 0.787 0.000 0.282 144 T C 1.140 175.926 174.700 0.143 0.000 0.993 144 T CA -0.799 61.402 62.100 0.168 0.000 0.994 144 T CB 0.836 69.760 68.868 0.094 0.000 1.025 144 T HN 0.472 nan 8.240 nan 0.000 0.529 145 L N 1.433 122.723 121.223 0.112 0.000 2.046 145 L HA 0.157 4.970 4.340 0.787 0.000 0.208 145 L C -0.890 176.017 176.870 0.062 0.000 1.077 145 L CA 1.599 56.490 54.840 0.086 0.000 0.747 145 L CB -1.705 40.391 42.059 0.062 0.000 0.896 145 L HN 0.526 nan 8.230 nan 0.000 0.432 146 P HA -0.185 nan 4.420 nan 0.000 0.216 146 P C 1.498 178.805 177.300 0.011 0.000 1.150 146 P CA 1.498 64.610 63.100 0.021 0.000 0.837 146 P CB -0.022 31.682 31.700 0.007 0.000 0.786 147 Q N -0.992 118.792 119.800 -0.026 0.000 2.119 147 Q HA -0.088 4.724 4.340 0.787 0.000 0.201 147 Q C 2.158 178.205 176.000 0.080 0.000 0.972 147 Q CA 1.073 56.789 55.803 -0.145 0.000 0.847 147 Q CB -0.608 27.827 28.738 -0.505 0.000 0.903 147 Q HN 0.284 nan 8.270 nan 0.000 0.433 148 L N 0.573 121.926 121.223 0.216 0.000 2.017 148 L HA -0.215 4.598 4.340 0.787 0.000 0.208 148 L C 2.297 179.303 176.870 0.226 0.000 1.073 148 L CA 1.317 56.343 54.840 0.310 0.000 0.745 148 L CB -0.331 41.830 42.059 0.171 0.000 0.894 148 L HN 0.126 nan 8.230 nan 0.000 0.432 149 K N -0.148 120.319 120.400 0.112 0.000 2.063 149 K HA -0.187 4.606 4.320 0.787 0.000 0.208 149 K C 1.754 178.457 176.600 0.171 0.000 1.048 149 K CA 1.624 57.970 56.287 0.099 0.000 0.928 149 K CB -0.219 32.312 32.500 0.051 0.000 0.713 149 K HN 0.245 nan 8.250 nan 0.000 0.442 150 D N 0.189 120.671 120.400 0.136 0.000 2.117 150 D HA -0.138 4.974 4.640 0.787 0.000 0.197 150 D C 1.956 178.370 176.300 0.191 0.000 0.987 150 D CA 1.060 55.131 54.000 0.119 0.000 0.829 150 D CB -0.323 40.507 40.800 0.050 0.000 0.961 150 D HN 0.018 nan 8.370 nan 0.000 0.460 151 S N -0.871 115.015 115.700 0.311 0.000 2.382 151 S HA -0.138 4.805 4.470 0.787 0.000 0.228 151 S C 1.804 176.660 174.600 0.427 0.000 1.027 151 S CA 0.728 59.179 58.200 0.418 0.000 0.991 151 S CB -0.265 63.315 63.200 0.634 0.000 0.823 151 S HN 0.070 nan 8.310 nan 0.000 0.469 152 F N 1.722 121.818 119.950 0.243 0.000 2.163 152 F HA 0.208 5.201 4.527 0.777 0.000 0.297 152 F C 2.499 178.297 175.800 -0.002 0.000 1.094 152 F CA 0.879 58.983 58.000 0.174 0.000 1.290 152 F CB -0.535 38.602 39.000 0.229 0.000 1.017 152 F HN 0.118 nan 8.300 nan 0.000 0.483 153 R N -0.110 120.517 120.500 0.211 0.000 2.096 153 R HA -0.209 4.603 4.340 0.787 0.000 0.235 153 R C 1.899 178.201 176.300 0.003 0.000 1.127 153 R CA 1.499 57.650 56.100 0.085 0.000 0.968 153 R CB -0.758 29.591 30.300 0.081 0.000 0.861 153 R HN 0.242 nan 8.270 nan 0.000 0.440 154 N N 0.691 119.394 118.700 0.006 0.000 2.205 154 N HA -0.144 5.069 4.740 0.787 0.000 0.186 154 N C 1.470 176.897 175.510 -0.137 0.000 1.015 154 N CA 1.548 54.572 53.050 -0.042 0.000 0.862 154 N CB 0.151 38.637 38.487 -0.001 0.000 0.986 154 N HN 0.178 nan 8.380 nan 0.000 0.429 155 V N -4.616 115.138 119.914 -0.267 0.000 3.647 155 V HA 0.552 5.144 4.120 0.787 0.000 0.279 155 V C 1.206 177.119 176.094 -0.303 0.000 1.314 155 V CA 0.483 62.547 62.300 -0.394 0.000 1.125 155 V CB -0.119 31.209 31.823 -0.825 0.000 0.907 155 V HN 0.310 nan 8.190 nan 0.000 0.434 156 G N 0.643 109.327 108.800 -0.192 0.000 2.192 156 G HA2 -0.153 4.280 3.960 0.787 0.000 0.193 156 G HA3 -0.153 4.280 3.960 0.787 0.000 0.193 156 G C -0.175 174.683 174.900 -0.070 0.000 0.999 156 G CA -0.054 44.974 45.100 -0.120 0.000 0.659 156 G HN 0.485 nan 8.290 nan 0.000 0.503 157 L N 1.593 122.787 121.223 -0.048 0.000 2.321 157 L HA 0.408 5.221 4.340 0.787 0.000 0.272 157 L C 1.015 177.963 176.870 0.130 0.000 1.050 157 L CA -0.935 53.946 54.840 0.068 0.000 0.893 157 L CB 0.875 43.028 42.059 0.158 0.000 1.272 157 L HN -0.039 nan 8.230 nan 0.000 0.435 158 N N 1.611 120.359 118.700 0.079 0.000 2.354 158 N HA -0.003 5.210 4.740 0.787 0.000 0.179 158 N C 0.474 176.032 175.510 0.080 0.000 1.021 158 N CA 0.636 53.730 53.050 0.073 0.000 0.887 158 N CB 0.193 38.704 38.487 0.040 0.000 0.974 158 N HN 0.468 nan 8.380 nan 0.000 0.437 159 R N 0.332 120.884 120.500 0.086 0.000 2.438 159 R HA 0.227 5.040 4.340 0.787 0.000 0.287 159 R C 1.087 177.433 176.300 0.077 0.000 1.077 159 R CA -0.121 56.023 56.100 0.074 0.000 1.034 159 R CB 0.679 31.021 30.300 0.071 0.000 0.993 159 R HN -0.041 nan 8.270 nan 0.000 0.459 160 S N 0.818 116.547 115.700 0.048 0.000 2.423 160 S HA -0.159 4.784 4.470 0.787 0.000 0.231 160 S C 1.846 176.481 174.600 0.058 0.000 1.014 160 S CA 1.369 59.586 58.200 0.027 0.000 0.965 160 S CB -0.034 63.171 63.200 0.009 0.000 0.785 160 S HN 0.696 nan 8.310 nan 0.000 0.495 161 S N 1.377 117.131 115.700 0.090 0.000 2.402 161 S HA -0.144 4.798 4.470 0.787 0.000 0.229 161 S C 1.475 176.196 174.600 0.203 0.000 1.021 161 S CA 1.166 59.468 58.200 0.170 0.000 0.974 161 S CB -0.392 62.907 63.200 0.164 0.000 0.800 161 S HN 0.429 nan 8.310 nan 0.000 0.484 162 D N 1.166 121.661 120.400 0.158 0.000 2.084 162 D HA -0.101 5.012 4.640 0.787 0.000 0.194 162 D C 1.946 178.372 176.300 0.210 0.000 0.990 162 D CA 1.148 55.269 54.000 0.203 0.000 0.826 162 D CB -0.573 40.391 40.800 0.274 0.000 0.971 162 D HN 0.386 nan 8.370 nan 0.000 0.453 163 L N 0.897 122.132 121.223 0.020 0.000 1.994 163 L HA -0.146 4.666 4.340 0.787 0.000 0.208 163 L C 2.288 179.111 176.870 -0.079 0.000 1.071 163 L CA 1.421 56.034 54.840 -0.378 0.000 0.745 163 L CB -0.529 41.214 42.059 -0.526 0.000 0.892 163 L HN -0.134 nan 8.230 nan 0.000 0.431 164 V N 0.120 120.102 119.914 0.113 0.000 2.358 164 V HA -0.232 4.360 4.120 0.787 0.000 0.246 164 V C 2.778 179.205 176.094 0.555 0.000 1.047 164 V CA 1.541 64.035 62.300 0.323 0.000 1.035 164 V CB -1.428 30.569 31.823 0.291 0.000 0.658 164 V HN 0.610 nan 8.190 nan 0.000 0.452 165 A N -0.065 123.073 122.820 0.530 0.000 1.855 165 A HA -0.105 4.688 4.320 0.787 0.000 0.215 165 A C 2.190 180.076 177.584 0.502 0.000 1.191 165 A CA 1.619 53.954 52.037 0.496 0.000 0.613 165 A CB -0.561 18.586 19.000 0.245 0.000 0.829 165 A HN 0.481 nan 8.150 nan 0.000 0.442 166 L N -0.189 121.205 121.223 0.285 0.000 2.191 166 L HA -0.128 4.684 4.340 0.787 0.000 0.212 166 L C 2.595 179.478 176.870 0.022 0.000 1.103 166 L CA 1.164 56.120 54.840 0.193 0.000 0.769 166 L CB -0.349 41.803 42.059 0.155 0.000 0.908 166 L HN 0.288 nan 8.230 nan 0.000 0.438 167 S N 0.147 115.814 115.700 -0.055 0.000 2.469 167 S HA -0.103 4.839 4.470 0.787 0.000 0.238 167 S C 1.960 176.105 174.600 -0.757 0.000 0.998 167 S CA 0.973 58.946 58.200 -0.378 0.000 0.957 167 S CB -0.366 62.766 63.200 -0.113 0.000 0.764 167 S HN 0.627 nan 8.310 nan 0.000 0.514 168 G N 1.037 109.627 108.800 -0.351 0.000 2.586 168 G HA2 -0.007 4.425 3.960 0.787 0.000 0.215 168 G HA3 -0.007 4.425 3.960 0.787 0.000 0.215 168 G C 1.247 175.765 174.900 -0.637 0.000 1.128 168 G CA 0.604 45.328 45.100 -0.627 0.000 0.774 168 G HN 0.552 nan 8.290 nan 0.000 0.543 169 G N -0.474 108.110 108.800 -0.360 0.000 2.535 169 G HA2 -0.125 4.307 3.960 0.787 0.000 0.218 169 G HA3 -0.125 4.307 3.960 0.787 0.000 0.218 169 G C 1.080 175.878 174.900 -0.170 0.000 1.122 169 G CA 0.259 45.288 45.100 -0.117 0.000 0.769 169 G HN 0.684 nan 8.290 nan 0.000 0.549 170 H N -0.583 118.086 119.070 -0.668 0.000 2.592 170 H HA 0.146 5.172 4.556 0.783 0.000 0.291 170 H C 1.946 177.041 175.328 -0.388 0.000 1.052 170 H CA 0.173 55.791 56.048 -0.717 0.000 1.175 170 H CB 0.518 29.713 29.762 -0.946 0.000 1.378 170 H HN 0.239 nan 8.280 nan 0.000 0.576 171 T N 0.693 115.026 114.554 -0.368 0.000 3.113 171 T HA -0.008 4.815 4.350 0.787 0.000 0.256 171 T C -0.167 174.528 174.700 -0.008 0.000 1.131 171 T CA 0.171 62.085 62.100 -0.310 0.000 1.074 171 T CB -0.032 68.391 68.868 -0.742 0.000 0.944 171 T HN 0.339 nan 8.240 nan 0.000 0.516 172 F N -1.552 118.357 119.950 -0.069 0.000 2.789 172 F HA 0.715 5.714 4.527 0.786 0.000 0.319 172 F C 0.043 175.912 175.800 0.115 0.000 1.168 172 F CA -1.790 56.239 58.000 0.049 0.000 0.934 172 F CB 0.756 39.793 39.000 0.062 0.000 1.375 172 F HN 0.130 nan 8.300 nan 0.000 0.480 173 G N 1.315 110.190 108.800 0.125 0.000 2.710 173 G HA2 0.205 4.637 3.960 0.787 0.000 0.668 173 G HA3 0.205 4.637 3.960 0.787 0.000 0.668 173 G C -1.700 173.342 174.900 0.238 0.000 1.320 173 G CA -0.758 44.371 45.100 0.048 0.000 0.860 173 G HN 0.783 nan 8.290 nan 0.000 0.538 174 K N 0.005 120.519 120.400 0.190 0.000 2.281 174 K HA 0.683 5.475 4.320 0.787 0.000 0.242 174 K C -0.252 176.382 176.600 0.057 0.000 0.971 174 K CA -0.997 55.348 56.287 0.097 0.000 0.834 174 K CB 2.121 34.645 32.500 0.040 0.000 1.181 174 K HN 0.797 nan 8.250 nan 0.000 0.435 175 N N 0.628 119.218 118.700 -0.184 0.000 2.310 175 N HA 0.104 5.316 4.740 0.787 0.000 0.292 175 N C -1.370 174.110 175.510 -0.051 0.000 1.049 175 N CA -0.379 52.541 53.050 -0.216 0.000 0.849 175 N CB 1.472 39.458 38.487 -0.835 0.000 1.532 175 N HN 0.298 nan 8.380 nan 0.000 0.479 176 Q N 1.786 121.658 119.800 0.121 0.000 2.327 176 Q HA 0.180 4.992 4.340 0.787 0.000 0.254 176 Q C 0.664 176.616 176.000 -0.081 0.000 0.952 176 Q CA -0.505 55.292 55.803 -0.010 0.000 0.884 176 Q CB 1.010 29.688 28.738 -0.100 0.000 1.224 176 Q HN 0.749 nan 8.270 nan 0.000 0.422 177 c N 1.674 120.214 118.600 -0.100 0.000 2.403 177 c HA -0.212 4.830 4.570 0.787 0.000 0.277 177 c C 2.445 176.467 174.090 -0.114 0.000 1.248 177 c CA 1.310 57.588 56.329 -0.084 0.000 1.762 177 c CB -1.183 41.294 42.510 -0.056 0.000 2.014 177 c HN 0.956 nan 8.230 nan 0.000 0.486 178 R N 0.357 120.706 120.500 -0.250 0.000 2.133 178 R HA -0.184 4.628 4.340 0.787 0.000 0.247 178 R C 1.529 177.673 176.300 -0.260 0.000 1.151 178 R CA 2.122 58.027 56.100 -0.325 0.000 0.971 178 R CB -0.973 29.000 30.300 -0.544 0.000 0.866 178 R HN 0.415 nan 8.270 nan 0.000 0.447 179 F N 1.516 121.499 119.950 0.056 0.000 2.802 179 F HA 0.194 5.123 4.527 0.671 0.000 0.300 179 F C 1.838 177.687 175.800 0.081 0.000 1.168 179 F CA 0.018 58.070 58.000 0.087 0.000 1.433 179 F CB 0.009 39.051 39.000 0.070 0.000 1.115 179 F HN 0.152 nan 8.300 nan 0.000 0.582 180 I N -5.080 115.580 120.570 0.151 0.000 4.338 180 I HA 0.107 4.749 4.170 0.787 0.000 0.329 180 I C 1.541 177.692 176.117 0.056 0.000 1.378 180 I CA 0.022 61.376 61.300 0.090 0.000 1.170 180 I CB -0.055 37.937 38.000 -0.012 0.000 1.206 180 I HN -0.197 nan 8.210 nan 0.000 0.432 181 M N 2.657 122.310 119.600 0.088 0.000 2.144 181 M HA -0.172 4.781 4.480 0.787 0.000 0.260 181 M C 1.952 178.353 176.300 0.169 0.000 1.067 181 M CA 2.041 57.427 55.300 0.143 0.000 1.095 181 M CB -1.160 31.529 32.600 0.149 0.000 1.365 181 M HN 0.580 nan 8.290 nan 0.000 0.406 182 D N 0.014 120.522 120.400 0.181 0.000 2.117 182 D HA -0.185 4.927 4.640 0.787 0.000 0.198 182 D C 1.902 178.373 176.300 0.284 0.000 0.982 182 D CA 1.216 55.356 54.000 0.234 0.000 0.828 182 D CB -0.692 40.255 40.800 0.244 0.000 0.967 182 D HN 0.376 nan 8.370 nan 0.000 0.464 183 R N 0.058 120.686 120.500 0.214 0.000 2.120 183 R HA 0.059 4.871 4.340 0.787 0.000 0.234 183 R C 2.599 178.810 176.300 -0.149 0.000 1.123 183 R CA 0.763 56.852 56.100 -0.019 0.000 0.975 183 R CB -0.227 29.992 30.300 -0.135 0.000 0.866 183 R HN 0.304 nan 8.270 nan 0.000 0.446 184 L N -1.396 119.683 121.223 -0.240 0.000 2.209 184 L HA -0.040 4.773 4.340 0.787 0.000 0.207 184 L C 1.257 177.685 176.870 -0.737 0.000 1.094 184 L CA 1.091 55.575 54.840 -0.592 0.000 0.790 184 L CB -0.033 41.468 42.059 -0.930 0.000 0.932 184 L HN 0.163 nan 8.230 nan 0.000 0.447 185 Y N -2.334 117.990 120.300 0.038 0.000 2.494 185 Y HA 0.245 5.264 4.550 0.782 0.000 0.271 185 Y C 0.524 176.460 175.900 0.059 0.000 1.113 185 Y CA -0.787 57.335 58.100 0.037 0.000 1.240 185 Y CB 0.500 38.972 38.460 0.020 0.000 1.268 185 Y HN 0.049 nan 8.280 nan 0.000 0.510 186 N N 0.152 118.983 118.700 0.219 0.000 2.827 186 N HA 0.096 5.308 4.740 0.787 0.000 0.240 186 N C -2.046 173.580 175.510 0.193 0.000 1.352 186 N CA -0.276 52.877 53.050 0.172 0.000 0.760 186 N CB -0.073 38.490 38.487 0.127 0.000 1.426 186 N HN -0.004 nan 8.380 nan 0.000 0.561 187 F N 3.129 123.101 119.950 0.038 0.000 2.411 187 F HA 0.404 5.399 4.527 0.779 0.000 0.350 187 F C 1.294 177.115 175.800 0.035 0.000 1.114 187 F CA 0.046 58.068 58.000 0.037 0.000 1.135 187 F CB 1.091 40.109 39.000 0.032 0.000 1.120 187 F HN 0.531 nan 8.300 nan 0.000 0.495 188 S N 5.573 120.960 115.700 -0.521 0.000 3.614 188 S HA -0.297 4.646 4.470 0.787 0.000 0.360 188 S C 0.366 174.884 174.600 -0.137 0.000 1.023 188 S CA 0.936 58.911 58.200 -0.375 0.000 1.114 188 S CB -1.770 61.183 63.200 -0.411 0.000 0.907 188 S HN 0.997 nan 8.310 nan 0.000 0.470 189 N N -1.037 117.615 118.700 -0.081 0.000 2.721 189 N HA -0.201 5.011 4.740 0.787 0.000 0.249 189 N C 0.714 176.224 175.510 0.000 0.000 1.072 189 N CA 1.571 54.603 53.050 -0.030 0.000 0.710 189 N CB -2.056 36.405 38.487 -0.042 0.000 0.993 189 N HN 0.989 nan 8.380 nan 0.000 0.547 190 T N -4.915 109.656 114.554 0.029 0.000 3.037 190 T HA 0.357 5.180 4.350 0.787 0.000 0.251 190 T C 1.497 176.232 174.700 0.057 0.000 1.079 190 T CA 1.168 63.298 62.100 0.049 0.000 1.067 190 T CB 0.683 69.600 68.868 0.081 0.000 0.948 190 T HN 0.632 nan 8.240 nan 0.000 0.496 191 G N 1.254 110.096 108.800 0.069 0.000 2.179 191 G HA2 -0.190 4.242 3.960 0.787 0.000 0.260 191 G HA3 -0.190 4.242 3.960 0.787 0.000 0.260 191 G C -0.133 174.820 174.900 0.089 0.000 0.977 191 G CA 0.434 45.578 45.100 0.072 0.000 0.641 191 G HN 0.648 nan 8.290 nan 0.000 0.533 192 L N 0.923 122.206 121.223 0.100 0.000 2.301 192 L HA 0.624 5.436 4.340 0.787 0.000 0.264 192 L C -1.920 175.013 176.870 0.106 0.000 1.016 192 L CA -2.718 52.176 54.840 0.091 0.000 0.821 192 L CB 2.320 44.423 42.059 0.074 0.000 1.346 192 L HN -0.122 nan 8.230 nan 0.000 0.429 193 P HA -0.011 nan 4.420 nan 0.000 0.274 193 P C -1.095 176.180 177.300 -0.041 0.000 1.246 193 P CA -0.300 62.788 63.100 -0.019 0.000 0.795 193 P CB 0.626 32.271 31.700 -0.091 0.000 1.006 194 D N 1.940 122.198 120.400 -0.237 0.000 2.412 194 D HA -0.003 5.109 4.640 0.787 0.000 0.257 194 D C -1.034 175.118 176.300 -0.247 0.000 1.217 194 D CA -1.783 51.891 54.000 -0.544 0.000 0.897 194 D CB 0.323 40.489 40.800 -1.056 0.000 1.132 194 D HN 0.197 nan 8.370 nan 0.000 0.493 195 P HA -0.123 nan 4.420 nan 0.000 0.225 195 P C 0.862 178.129 177.300 -0.055 0.000 1.148 195 P CA 0.963 64.032 63.100 -0.051 0.000 0.779 195 P CB -0.078 31.624 31.700 0.003 0.000 0.780 196 T N -3.490 111.008 114.554 -0.093 0.000 3.169 196 T HA 0.171 4.993 4.350 0.787 0.000 0.250 196 T C 0.527 175.201 174.700 -0.045 0.000 1.111 196 T CA -0.386 61.687 62.100 -0.045 0.000 1.010 196 T CB -0.584 68.268 68.868 -0.026 0.000 0.984 196 T HN -0.090 nan 8.240 nan 0.000 0.537 197 L N 3.039 124.213 121.223 -0.081 0.000 2.272 197 L HA 0.438 5.250 4.340 0.787 0.000 0.289 197 L C -0.048 176.819 176.870 -0.006 0.000 1.032 197 L CA -0.941 53.871 54.840 -0.046 0.000 0.810 197 L CB 0.804 42.794 42.059 -0.115 0.000 1.205 197 L HN 0.156 nan 8.230 nan 0.000 0.422 198 N N 2.517 121.243 118.700 0.045 0.000 2.294 198 N HA -0.147 5.066 4.740 0.787 0.000 0.263 198 N C 0.983 176.521 175.510 0.046 0.000 1.281 198 N CA 0.966 54.043 53.050 0.045 0.000 0.846 198 N CB 1.036 39.553 38.487 0.051 0.000 1.061 198 N HN 0.895 nan 8.380 nan 0.000 0.478 199 T N 0.690 115.255 114.554 0.018 0.000 2.833 199 T HA -0.130 4.692 4.350 0.787 0.000 0.269 199 T C 1.671 176.383 174.700 0.020 0.000 1.054 199 T CA 1.740 63.844 62.100 0.007 0.000 1.135 199 T CB -0.324 68.545 68.868 0.001 0.000 0.869 199 T HN 0.516 nan 8.240 nan 0.000 0.466 200 T N 0.582 115.160 114.554 0.040 0.000 2.812 200 T HA 0.002 4.824 4.350 0.787 0.000 0.264 200 T C 1.471 176.234 174.700 0.104 0.000 1.042 200 T CA 1.012 63.142 62.100 0.050 0.000 1.140 200 T CB -0.540 68.350 68.868 0.037 0.000 0.870 200 T HN 0.428 nan 8.240 nan 0.000 0.445 201 Y N 1.835 122.107 120.300 -0.047 0.000 2.293 201 Y HA 0.025 5.048 4.550 0.788 0.000 0.291 201 Y C 2.045 177.908 175.900 -0.063 0.000 1.137 201 Y CA 0.018 58.087 58.100 -0.053 0.000 1.202 201 Y CB -0.734 37.690 38.460 -0.060 0.000 0.990 201 Y HN 0.105 nan 8.280 nan 0.000 0.537 202 L N 0.421 121.626 121.223 -0.030 0.000 2.042 202 L HA -0.251 4.561 4.340 0.787 0.000 0.210 202 L C 2.098 178.886 176.870 -0.136 0.000 1.076 202 L CA 1.946 56.698 54.840 -0.146 0.000 0.749 202 L CB -0.839 41.158 42.059 -0.103 0.000 0.893 202 L HN 0.153 nan 8.230 nan 0.000 0.432 203 Q N -0.701 119.064 119.800 -0.058 0.000 2.050 203 Q HA -0.151 4.662 4.340 0.787 0.000 0.202 203 Q C 2.218 178.194 176.000 -0.040 0.000 0.980 203 Q CA 2.243 58.025 55.803 -0.035 0.000 0.840 203 Q CB -1.290 27.447 28.738 -0.002 0.000 0.898 203 Q HN 0.538 nan 8.270 nan 0.000 0.424 204 T N 2.187 116.724 114.554 -0.029 0.000 2.684 204 T HA -0.088 4.734 4.350 0.787 0.000 0.267 204 T C 2.075 176.715 174.700 -0.099 0.000 1.036 204 T CA 1.047 63.133 62.100 -0.023 0.000 1.148 204 T CB -0.301 68.608 68.868 0.068 0.000 0.863 204 T HN 0.157 nan 8.240 nan 0.000 0.436 205 L N 0.206 121.289 121.223 -0.233 0.000 2.093 205 L HA -0.044 4.769 4.340 0.787 0.000 0.208 205 L C 2.862 179.637 176.870 -0.158 0.000 1.085 205 L CA 1.244 55.920 54.840 -0.274 0.000 0.755 205 L CB -0.464 41.320 42.059 -0.457 0.000 0.904 205 L HN 0.155 nan 8.230 nan 0.000 0.435 206 R N -0.151 120.269 120.500 -0.133 0.000 2.115 206 R HA -0.091 4.721 4.340 0.787 0.000 0.230 206 R C 2.331 178.661 176.300 0.051 0.000 1.111 206 R CA 1.111 57.199 56.100 -0.020 0.000 0.976 206 R CB -0.483 29.815 30.300 -0.004 0.000 0.870 206 R HN 0.417 nan 8.270 nan 0.000 0.445 207 G N 0.461 109.263 108.800 0.004 0.000 2.421 207 G HA2 -0.157 4.275 3.960 0.787 0.000 0.217 207 G HA3 -0.157 4.275 3.960 0.787 0.000 0.217 207 G C 1.346 176.250 174.900 0.006 0.000 1.143 207 G CA 0.219 45.327 45.100 0.013 0.000 0.784 207 G HN 0.135 nan 8.290 nan 0.000 0.541 208 L N -0.360 120.854 121.223 -0.015 0.000 2.209 208 L HA 0.167 4.979 4.340 0.787 0.000 0.207 208 L C 0.545 177.409 176.870 -0.010 0.000 1.094 208 L CA 0.168 54.996 54.840 -0.019 0.000 0.790 208 L CB 0.247 42.281 42.059 -0.043 0.000 0.932 208 L HN 0.111 nan 8.230 nan 0.000 0.447 209 c N 1.132 119.736 118.600 0.007 0.000 3.169 209 c HA 0.347 5.389 4.570 0.787 0.000 0.232 209 c C -2.105 172.073 174.090 0.146 0.000 1.316 209 c CA -1.584 54.771 56.329 0.044 0.000 1.545 209 c CB -0.275 42.246 42.510 0.019 0.000 1.785 209 c HN 0.105 nan 8.230 nan 0.000 0.454 210 P HA 0.104 nan 4.420 nan 0.000 0.272 210 P C -0.188 177.082 177.300 -0.051 0.000 1.223 210 P CA -0.128 63.015 63.100 0.072 0.000 0.784 210 P CB 1.001 32.706 31.700 0.008 0.000 0.923 211 L N 3.219 124.230 121.223 -0.353 0.000 2.490 211 L HA 0.035 4.847 4.340 0.787 0.000 0.274 211 L C 1.016 177.756 176.870 -0.218 0.000 1.201 211 L CA 0.875 55.424 54.840 -0.485 0.000 0.869 211 L CB -1.224 40.355 42.059 -0.798 0.000 1.123 211 L HN 0.585 nan 8.230 nan 0.000 0.484 212 N N 1.398 120.012 118.700 -0.145 0.000 2.850 212 N HA -0.176 5.036 4.740 0.787 0.000 0.249 212 N C 0.453 175.925 175.510 -0.063 0.000 1.060 212 N CA 0.417 53.413 53.050 -0.090 0.000 0.825 212 N CB -1.128 37.304 38.487 -0.091 0.000 1.132 212 N HN 0.857 nan 8.380 nan 0.000 0.564 213 G N 0.512 109.280 108.800 -0.054 0.000 2.531 213 G HA2 0.238 4.671 3.960 0.787 0.000 0.281 213 G HA3 0.238 4.671 3.960 0.787 0.000 0.281 213 G C -0.219 174.663 174.900 -0.029 0.000 1.382 213 G CA -0.415 44.665 45.100 -0.034 0.000 1.045 213 G HN 0.282 nan 8.290 nan 0.000 0.533 214 N N 0.165 118.850 118.700 -0.024 0.000 2.406 214 N HA 0.047 5.259 4.740 0.787 0.000 0.265 214 N C 1.367 176.856 175.510 -0.036 0.000 1.203 214 N CA -0.423 52.611 53.050 -0.027 0.000 0.945 214 N CB 0.240 38.715 38.487 -0.021 0.000 1.165 214 N HN 0.320 nan 8.380 nan 0.000 0.485 215 L N 2.331 123.525 121.223 -0.048 0.000 2.362 215 L HA -0.079 4.734 4.340 0.787 0.000 0.219 215 L C 1.803 178.612 176.870 -0.101 0.000 1.134 215 L CA 0.591 55.384 54.840 -0.078 0.000 0.807 215 L CB -0.105 41.899 42.059 -0.092 0.000 0.927 215 L HN 0.534 nan 8.230 nan 0.000 0.447 216 S N -0.182 115.478 115.700 -0.067 0.000 2.558 216 S HA 0.214 5.156 4.470 0.787 0.000 0.217 216 S C 1.093 175.671 174.600 -0.036 0.000 0.975 216 S CA -0.018 58.150 58.200 -0.053 0.000 0.912 216 S CB -0.056 63.129 63.200 -0.026 0.000 0.776 216 S HN 0.371 nan 8.310 nan 0.000 0.526 217 A N 1.658 124.456 122.820 -0.037 0.000 2.531 217 A HA 0.378 5.170 4.320 0.787 0.000 0.236 217 A C -0.018 177.548 177.584 -0.031 0.000 1.062 217 A CA 0.153 52.174 52.037 -0.027 0.000 0.760 217 A CB -0.036 18.949 19.000 -0.025 0.000 0.995 217 A HN 0.463 nan 8.150 nan 0.000 0.501 218 L N 2.558 123.768 121.223 -0.022 0.000 2.309 218 L HA 0.571 5.383 4.340 0.787 0.000 0.282 218 L C -0.417 176.429 176.870 -0.039 0.000 1.036 218 L CA -0.714 54.110 54.840 -0.026 0.000 0.806 218 L CB 1.495 43.550 42.059 -0.007 0.000 1.220 218 L HN 0.431 nan 8.230 nan 0.000 0.429 219 V N 0.874 120.745 119.914 -0.072 0.000 2.769 219 V HA 0.317 4.909 4.120 0.787 0.000 0.312 219 V C -0.565 175.471 176.094 -0.097 0.000 1.061 219 V CA -0.933 61.318 62.300 -0.082 0.000 0.931 219 V CB 2.391 34.142 31.823 -0.121 0.000 1.010 219 V HN 0.620 nan 8.190 nan 0.000 0.433 220 D N 1.708 122.092 120.400 -0.027 0.000 2.351 220 D HA 0.186 5.298 4.640 0.787 0.000 0.251 220 D C 0.547 176.868 176.300 0.036 0.000 1.137 220 D CA 0.069 54.090 54.000 0.034 0.000 0.879 220 D CB 1.307 42.157 40.800 0.082 0.000 1.181 220 D HN 0.403 nan 8.370 nan 0.000 0.448 221 F N 0.599 120.588 119.950 0.065 0.000 2.186 221 F HA -0.140 4.851 4.527 0.773 0.000 0.299 221 F C 1.352 177.224 175.800 0.120 0.000 1.090 221 F CA 0.967 59.011 58.000 0.074 0.000 1.307 221 F CB 0.253 39.279 39.000 0.043 0.000 1.019 221 F HN 0.201 nan 8.300 nan 0.000 0.489 222 D N 0.126 120.701 120.400 0.292 0.000 2.453 222 D HA 0.139 5.251 4.640 0.787 0.000 0.238 222 D C 0.955 177.311 176.300 0.092 0.000 1.088 222 D CA -0.233 53.867 54.000 0.167 0.000 0.854 222 D CB 0.960 41.839 40.800 0.132 0.000 1.076 222 D HN 0.241 nan 8.370 nan 0.000 0.533 223 L N 2.112 123.354 121.223 0.032 0.000 2.362 223 L HA 0.114 4.926 4.340 0.787 0.000 0.219 223 L C 1.739 178.592 176.870 -0.028 0.000 1.134 223 L CA 0.428 55.269 54.840 0.000 0.000 0.807 223 L CB 0.109 42.107 42.059 -0.102 0.000 0.927 223 L HN 0.134 nan 8.230 nan 0.000 0.447 224 R N 0.854 121.327 120.500 -0.046 0.000 2.052 224 R HA 0.044 4.857 4.340 0.787 0.000 0.226 224 R C 0.393 176.690 176.300 -0.004 0.000 1.145 224 R CA 1.560 57.635 56.100 -0.042 0.000 0.952 224 R CB -0.124 30.137 30.300 -0.065 0.000 0.847 224 R HN 0.550 nan 8.270 nan 0.000 0.431 225 T N -1.935 112.627 114.554 0.013 0.000 3.226 225 T HA 0.300 5.122 4.350 0.787 0.000 0.378 225 T C -2.473 172.274 174.700 0.078 0.000 1.380 225 T CA -1.779 60.345 62.100 0.040 0.000 1.396 225 T CB 1.635 70.523 68.868 0.033 0.000 1.044 225 T HN -0.154 nan 8.240 nan 0.000 0.586 226 P HA -0.177 nan 4.420 nan 0.000 0.218 226 P C 1.482 178.893 177.300 0.185 0.000 1.152 226 P CA 1.645 64.823 63.100 0.130 0.000 0.857 226 P CB 0.065 31.823 31.700 0.097 0.000 0.787 227 T N -6.228 108.432 114.554 0.177 0.000 3.043 227 T HA 0.292 5.114 4.350 0.787 0.000 0.272 227 T C 0.424 175.299 174.700 0.293 0.000 0.990 227 T CA -0.235 62.010 62.100 0.242 0.000 0.897 227 T CB -0.371 68.589 68.868 0.154 0.000 1.111 227 T HN -0.093 nan 8.240 nan 0.000 0.529 228 I N 1.983 122.672 120.570 0.198 0.000 2.353 228 I HA 0.429 5.072 4.170 0.787 0.000 0.293 228 I C -0.694 175.464 176.117 0.067 0.000 0.992 228 I CA -1.262 60.131 61.300 0.155 0.000 1.268 228 I CB 1.379 39.444 38.000 0.108 0.000 1.387 228 I HN 0.122 nan 8.210 nan 0.000 0.478 229 F N 7.564 127.446 119.950 -0.113 0.000 2.404 229 F HA 0.239 5.237 4.527 0.786 0.000 0.359 229 F C -0.113 175.686 175.800 -0.002 0.000 1.134 229 F CA -0.193 57.615 58.000 -0.320 0.000 1.160 229 F CB -0.194 38.476 39.000 -0.550 0.000 1.186 229 F HN 0.557 nan 8.300 nan 0.000 0.526 230 D N 2.403 122.743 120.400 -0.101 0.000 2.825 230 D HA 0.150 5.262 4.640 0.787 0.000 0.327 230 D C -0.225 176.120 176.300 0.074 0.000 1.277 230 D CA -0.722 53.408 54.000 0.217 0.000 0.950 230 D CB 0.166 41.039 40.800 0.123 0.000 1.438 230 D HN 0.221 nan 8.370 nan 0.000 0.526 231 N N -0.365 118.395 118.700 0.101 0.000 2.383 231 N HA -0.056 5.157 4.740 0.787 0.000 0.192 231 N C 0.516 175.987 175.510 -0.065 0.000 1.141 231 N CA -0.050 52.955 53.050 -0.075 0.000 0.851 231 N CB 0.009 38.519 38.487 0.037 0.000 0.976 231 N HN 0.202 nan 8.380 nan 0.000 0.465 232 K N 0.444 120.793 120.400 -0.085 0.000 2.211 232 K HA -0.175 4.618 4.320 0.787 0.000 0.204 232 K C 1.347 177.857 176.600 -0.150 0.000 1.047 232 K CA 0.625 56.856 56.287 -0.093 0.000 0.935 232 K CB -0.773 31.684 32.500 -0.071 0.000 0.728 232 K HN 0.400 nan 8.250 nan 0.000 0.452 233 Y N 0.887 120.962 120.300 -0.376 0.000 2.151 233 Y HA -0.324 4.696 4.550 0.783 0.000 0.284 233 Y C 1.804 177.384 175.900 -0.532 0.000 1.166 233 Y CA 1.666 59.468 58.100 -0.496 0.000 1.163 233 Y CB -0.440 37.566 38.460 -0.757 0.000 0.974 233 Y HN 0.019 nan 8.280 nan 0.000 0.511 234 Y N -1.326 118.795 120.300 -0.297 0.000 2.314 234 Y HA -0.118 4.905 4.550 0.789 0.000 0.293 234 Y C 2.527 178.217 175.900 -0.350 0.000 1.129 234 Y CA 1.247 59.141 58.100 -0.344 0.000 1.201 234 Y CB -0.852 37.506 38.460 -0.170 0.000 0.999 234 Y HN -0.034 nan 8.280 nan 0.000 0.541 235 V N 0.565 120.387 119.914 -0.154 0.000 2.407 235 V HA -0.291 4.301 4.120 0.787 0.000 0.248 235 V C 1.869 177.798 176.094 -0.275 0.000 1.055 235 V CA 1.876 64.064 62.300 -0.187 0.000 1.049 235 V CB -0.563 31.180 31.823 -0.135 0.000 0.662 235 V HN 0.465 nan 8.190 nan 0.000 0.455 236 N N 0.596 119.110 118.700 -0.310 0.000 2.069 236 N HA -0.123 5.089 4.740 0.787 0.000 0.191 236 N C 1.828 177.111 175.510 -0.377 0.000 1.031 236 N CA 1.439 54.288 53.050 -0.334 0.000 0.852 236 N CB -0.542 37.747 38.487 -0.329 0.000 1.018 236 N HN 0.393 nan 8.380 nan 0.000 0.423 237 L N 1.334 122.273 121.223 -0.473 0.000 2.042 237 L HA -0.150 4.663 4.340 0.787 0.000 0.210 237 L C 1.965 178.404 176.870 -0.719 0.000 1.076 237 L CA 1.281 55.838 54.840 -0.473 0.000 0.749 237 L CB -0.552 41.236 42.059 -0.451 0.000 0.893 237 L HN 0.224 nan 8.230 nan 0.000 0.432 238 E N 0.222 119.899 120.200 -0.872 0.000 2.265 238 E HA -0.185 4.638 4.350 0.787 0.000 0.196 238 E C 1.106 177.380 176.600 -0.544 0.000 0.996 238 E CA 0.834 56.545 56.400 -1.149 0.000 0.832 238 E CB 0.019 29.329 29.700 -0.651 0.000 0.756 238 E HN 0.600 nan 8.360 nan 0.000 0.491 239 E N 0.329 120.316 120.200 -0.354 0.000 2.499 239 E HA 0.043 4.866 4.350 0.787 0.000 0.199 239 E C -0.344 176.178 176.600 -0.130 0.000 1.016 239 E CA -0.119 56.167 56.400 -0.191 0.000 0.933 239 E CB 0.581 30.171 29.700 -0.183 0.000 1.050 239 E HN 0.086 nan 8.360 nan 0.000 0.462 240 Q N 0.036 119.763 119.800 -0.121 0.000 2.494 240 Q HA -0.216 4.596 4.340 0.787 0.000 0.272 240 Q C 0.005 175.989 176.000 -0.028 0.000 1.145 240 Q CA 0.901 56.687 55.803 -0.028 0.000 0.943 240 Q CB -1.650 27.101 28.738 0.022 0.000 1.338 240 Q HN 0.344 nan 8.270 nan 0.000 0.492 241 K N -0.109 120.223 120.400 -0.113 0.000 2.593 241 K HA 0.246 5.038 4.320 0.787 0.000 0.208 241 K C 0.796 177.374 176.600 -0.036 0.000 1.051 241 K CA 0.342 56.554 56.287 -0.125 0.000 1.111 241 K CB 0.913 33.136 32.500 -0.461 0.000 0.849 241 K HN 0.245 nan 8.250 nan 0.000 0.479 242 G N 1.014 109.799 108.800 -0.024 0.000 2.398 242 G HA2 0.052 4.484 3.960 0.787 0.000 0.246 242 G HA3 0.052 4.484 3.960 0.787 0.000 0.246 242 G C 0.712 175.708 174.900 0.159 0.000 1.289 242 G CA -0.438 44.664 45.100 0.004 0.000 0.869 242 G HN 0.133 nan 8.290 nan 0.000 0.543 243 L N 3.166 124.522 121.223 0.221 0.000 2.005 243 L HA 0.203 5.015 4.340 0.787 0.000 0.207 243 L C 1.557 178.474 176.870 0.079 0.000 1.072 243 L CA 1.326 56.254 54.840 0.147 0.000 0.744 243 L CB -0.453 41.635 42.059 0.049 0.000 0.895 243 L HN 0.656 nan 8.230 nan 0.000 0.433 244 I N -3.530 117.141 120.570 0.167 0.000 2.793 244 I HA 0.221 4.863 4.170 0.787 0.000 0.313 244 I C 1.270 177.492 176.117 0.176 0.000 0.998 244 I CA -0.613 60.786 61.300 0.165 0.000 1.140 244 I CB 0.965 39.094 38.000 0.215 0.000 1.327 244 I HN 0.259 nan 8.210 nan 0.000 0.491 245 Q N 2.152 122.064 119.800 0.186 0.000 2.077 245 Q HA -0.220 4.592 4.340 0.787 0.000 0.206 245 Q C 1.990 178.114 176.000 0.206 0.000 0.989 245 Q CA 3.239 59.164 55.803 0.203 0.000 0.853 245 Q CB -0.062 28.875 28.738 0.331 0.000 0.907 245 Q HN 0.957 nan 8.270 nan 0.000 0.418 246 S N 0.066 115.895 115.700 0.215 0.000 2.419 246 S HA -0.162 4.780 4.470 0.787 0.000 0.233 246 S C 1.234 175.961 174.600 0.212 0.000 1.016 246 S CA 1.238 59.559 58.200 0.203 0.000 0.974 246 S CB -0.209 63.096 63.200 0.174 0.000 0.786 246 S HN 0.399 nan 8.310 nan 0.000 0.492 247 D N 1.466 122.020 120.400 0.256 0.000 2.085 247 D HA -0.046 5.066 4.640 0.787 0.000 0.199 247 D C 2.153 178.540 176.300 0.145 0.000 0.981 247 D CA 1.273 55.438 54.000 0.275 0.000 0.834 247 D CB -0.638 40.364 40.800 0.336 0.000 0.992 247 D HN 0.350 nan 8.370 nan 0.000 0.457 248 Q N 1.132 121.002 119.800 0.118 0.000 2.170 248 Q HA -0.133 4.679 4.340 0.787 0.000 0.203 248 Q C 1.630 177.710 176.000 0.133 0.000 0.976 248 Q CA 1.281 57.141 55.803 0.095 0.000 0.858 248 Q CB -0.159 28.620 28.738 0.068 0.000 0.907 248 Q HN 0.354 nan 8.270 nan 0.000 0.433 249 E N -0.494 119.788 120.200 0.135 0.000 2.265 249 E HA -0.148 4.675 4.350 0.787 0.000 0.196 249 E C 1.728 178.396 176.600 0.115 0.000 0.996 249 E CA 0.780 57.255 56.400 0.125 0.000 0.832 249 E CB -0.131 29.653 29.700 0.140 0.000 0.756 249 E HN 0.400 nan 8.360 nan 0.000 0.491 250 L N -0.401 120.905 121.223 0.137 0.000 2.191 250 L HA -0.150 4.662 4.340 0.787 0.000 0.212 250 L C 2.083 179.055 176.870 0.170 0.000 1.103 250 L CA 0.872 55.795 54.840 0.138 0.000 0.769 250 L CB -0.167 41.997 42.059 0.176 0.000 0.908 250 L HN 0.154 nan 8.230 nan 0.000 0.438 251 F N -1.265 118.689 119.950 0.007 0.000 2.653 251 F HA 0.092 5.090 4.527 0.784 0.000 0.288 251 F C 2.124 177.918 175.800 -0.009 0.000 1.121 251 F CA 0.390 58.383 58.000 -0.012 0.000 1.384 251 F CB 0.394 39.374 39.000 -0.032 0.000 1.115 251 F HN -0.180 nan 8.300 nan 0.000 0.599 252 S N -1.005 114.713 115.700 0.031 0.000 2.512 252 S HA 0.110 5.052 4.470 0.787 0.000 0.216 252 S C 0.707 175.288 174.600 -0.032 0.000 1.006 252 S CA 0.074 58.246 58.200 -0.046 0.000 0.915 252 S CB -0.072 63.162 63.200 0.057 0.000 0.824 252 S HN 0.218 nan 8.310 nan 0.000 0.497 253 S N 2.538 118.239 115.700 0.002 0.000 2.568 253 S HA 0.147 5.090 4.470 0.787 0.000 0.282 253 S C -1.882 172.710 174.600 -0.014 0.000 1.338 253 S CA -1.106 57.105 58.200 0.019 0.000 1.045 253 S CB 0.709 63.935 63.200 0.042 0.000 0.873 253 S HN -0.011 nan 8.310 nan 0.000 0.516 254 P HA -0.019 nan 4.420 nan 0.000 0.225 254 P C 0.692 177.981 177.300 -0.017 0.000 1.148 254 P CA 0.762 63.854 63.100 -0.013 0.000 0.779 254 P CB -0.007 31.695 31.700 0.003 0.000 0.780 255 N N -0.535 118.161 118.700 -0.006 0.000 2.268 255 N HA 0.088 5.301 4.740 0.787 0.000 0.204 255 N C 0.705 176.206 175.510 -0.015 0.000 1.124 255 N CA -0.063 52.983 53.050 -0.006 0.000 0.838 255 N CB 0.144 38.636 38.487 0.008 0.000 0.994 255 N HN -0.059 nan 8.380 nan 0.000 0.489 256 A N -0.190 122.612 122.820 -0.031 0.000 2.327 256 A HA 0.113 4.905 4.320 0.787 0.000 0.228 256 A C 1.665 179.210 177.584 -0.064 0.000 1.275 256 A CA 0.054 52.066 52.037 -0.043 0.000 0.875 256 A CB -0.359 18.606 19.000 -0.060 0.000 0.925 256 A HN 0.197 nan 8.150 nan 0.000 0.493 257 T N 1.371 115.891 114.554 -0.057 0.000 2.737 257 T HA -0.175 4.647 4.350 0.787 0.000 0.269 257 T C 1.670 176.338 174.700 -0.053 0.000 1.040 257 T CA 1.880 63.944 62.100 -0.060 0.000 1.142 257 T CB -0.265 68.576 68.868 -0.045 0.000 0.861 257 T HN 0.878 nan 8.240 nan 0.000 0.456 258 D N 0.914 121.290 120.400 -0.040 0.000 2.271 258 D HA -0.051 5.062 4.640 0.787 0.000 0.206 258 D C 2.069 178.342 176.300 -0.045 0.000 0.967 258 D CA 1.328 55.306 54.000 -0.038 0.000 0.867 258 D CB -0.793 39.993 40.800 -0.024 0.000 0.960 258 D HN 0.531 nan 8.370 nan 0.000 0.509 259 T N -1.259 113.274 114.554 -0.035 0.000 3.035 259 T HA 0.143 4.965 4.350 0.787 0.000 0.259 259 T C 2.346 177.032 174.700 -0.023 0.000 1.078 259 T CA 0.001 62.086 62.100 -0.025 0.000 1.132 259 T CB -0.473 68.403 68.868 0.013 0.000 0.900 259 T HN 0.079 nan 8.240 nan 0.000 0.480 260 I N 2.722 123.274 120.570 -0.031 0.000 2.127 260 I HA -0.093 4.549 4.170 0.787 0.000 0.241 260 I C -0.180 175.932 176.117 -0.008 0.000 1.075 260 I CA 1.423 62.721 61.300 -0.004 0.000 1.334 260 I CB -0.988 36.931 38.000 -0.134 0.000 1.040 260 I HN 0.242 nan 8.210 nan 0.000 0.405 261 P HA -0.154 nan 4.420 nan 0.000 0.220 261 P C 1.908 179.087 177.300 -0.202 0.000 1.148 261 P CA 1.548 64.590 63.100 -0.096 0.000 0.803 261 P CB -0.000 31.647 31.700 -0.087 0.000 0.782 262 L N -0.855 120.205 121.223 -0.272 0.000 2.072 262 L HA -0.093 4.719 4.340 0.787 0.000 0.205 262 L C 2.781 179.179 176.870 -0.788 0.000 1.079 262 L CA 1.018 55.496 54.840 -0.603 0.000 0.752 262 L CB -1.006 40.769 42.059 -0.473 0.000 0.906 262 L HN -0.181 nan 8.230 nan 0.000 0.436 263 V N 0.013 119.737 119.914 -0.317 0.000 2.295 263 V HA -0.291 4.302 4.120 0.787 0.000 0.246 263 V C 2.638 178.636 176.094 -0.160 0.000 1.049 263 V CA 1.793 64.017 62.300 -0.126 0.000 1.024 263 V CB -0.598 31.323 31.823 0.163 0.000 0.648 263 V HN 0.413 nan 8.190 nan 0.000 0.447 264 R N 0.684 121.125 120.500 -0.098 0.000 2.081 264 R HA -0.145 4.667 4.340 0.787 0.000 0.235 264 R C 2.634 178.864 176.300 -0.117 0.000 1.131 264 R CA 1.740 57.799 56.100 -0.067 0.000 0.960 264 R CB -0.644 29.651 30.300 -0.007 0.000 0.856 264 R HN 0.704 nan 8.270 nan 0.000 0.436 265 S N 0.583 116.156 115.700 -0.210 0.000 2.382 265 S HA -0.130 4.812 4.470 0.787 0.000 0.228 265 S C 1.785 176.378 174.600 -0.011 0.000 1.027 265 S CA 1.057 59.166 58.200 -0.151 0.000 0.991 265 S CB -0.386 62.676 63.200 -0.230 0.000 0.823 265 S HN 0.145 nan 8.310 nan 0.000 0.469 266 F N 2.369 122.180 119.950 -0.232 0.000 2.293 266 F HA 0.418 5.416 4.527 0.785 0.000 0.297 266 F C 2.803 178.446 175.800 -0.262 0.000 1.089 266 F CA -0.428 57.362 58.000 -0.350 0.000 1.377 266 F CB -1.398 36.995 39.000 -1.012 0.000 1.051 266 F HN 0.356 nan 8.300 nan 0.000 0.511 267 A N 0.255 123.064 122.820 -0.017 0.000 1.968 267 A HA -0.148 4.644 4.320 0.787 0.000 0.217 267 A C 1.988 179.570 177.584 -0.003 0.000 1.169 267 A CA 1.511 53.560 52.037 0.019 0.000 0.638 267 A CB -0.979 18.015 19.000 -0.011 0.000 0.812 267 A HN 0.445 nan 8.150 nan 0.000 0.446 268 N N -0.984 117.712 118.700 -0.007 0.000 2.354 268 N HA 0.005 5.217 4.740 0.787 0.000 0.179 268 N C 0.162 175.673 175.510 0.000 0.000 1.021 268 N CA 0.724 53.768 53.050 -0.009 0.000 0.887 268 N CB 0.137 38.617 38.487 -0.013 0.000 0.974 268 N HN 0.314 nan 8.380 nan 0.000 0.437 269 S N -0.950 114.766 115.700 0.025 0.000 2.677 269 S HA 0.215 5.158 4.470 0.787 0.000 0.283 269 S C 0.557 175.165 174.600 0.013 0.000 1.159 269 S CA -0.739 57.469 58.200 0.014 0.000 1.001 269 S CB 1.498 64.714 63.200 0.027 0.000 1.032 269 S HN -0.043 nan 8.310 nan 0.000 0.487 270 T N 3.781 118.284 114.554 -0.085 0.000 2.746 270 T HA -0.140 4.682 4.350 0.787 0.000 0.267 270 T C 1.782 176.290 174.700 -0.320 0.000 1.039 270 T CA 1.759 63.707 62.100 -0.254 0.000 1.142 270 T CB -0.286 68.324 68.868 -0.430 0.000 0.866 270 T HN 0.762 nan 8.240 nan 0.000 0.444 271 Q N 0.288 119.977 119.800 -0.184 0.000 2.084 271 Q HA -0.142 4.670 4.340 0.787 0.000 0.202 271 Q C 2.230 178.233 176.000 0.005 0.000 0.978 271 Q CA 1.640 57.391 55.803 -0.087 0.000 0.844 271 Q CB -0.211 28.502 28.738 -0.040 0.000 0.898 271 Q HN 0.442 nan 8.270 nan 0.000 0.426 272 T N 0.793 115.379 114.554 0.052 0.000 2.746 272 T HA -0.154 4.669 4.350 0.787 0.000 0.267 272 T C 1.271 176.042 174.700 0.119 0.000 1.039 272 T CA 1.306 63.487 62.100 0.134 0.000 1.142 272 T CB -0.434 68.560 68.868 0.210 0.000 0.866 272 T HN 0.367 nan 8.240 nan 0.000 0.444 273 F N 1.711 121.601 119.950 -0.100 0.000 2.084 273 F HA -0.001 4.998 4.527 0.786 0.000 0.296 273 F C 1.770 177.522 175.800 -0.079 0.000 1.111 273 F CA 0.679 58.425 58.000 -0.424 0.000 1.224 273 F CB -0.828 38.044 39.000 -0.213 0.000 0.991 273 F HN 0.043 nan 8.300 nan 0.000 0.471 274 F N 1.459 121.122 119.950 -0.478 0.000 2.120 274 F HA -0.238 4.761 4.527 0.787 0.000 0.300 274 F C 2.382 177.958 175.800 -0.374 0.000 1.095 274 F CA 1.467 59.168 58.000 -0.498 0.000 1.249 274 F CB -1.671 37.189 39.000 -0.232 0.000 0.995 274 F HN 0.085 nan 8.300 nan 0.000 0.480 275 N N 0.187 118.857 118.700 -0.050 0.000 2.084 275 N HA -0.132 5.080 4.740 0.787 0.000 0.190 275 N C 2.057 177.469 175.510 -0.164 0.000 1.030 275 N CA 1.547 54.537 53.050 -0.100 0.000 0.849 275 N CB -0.784 37.686 38.487 -0.029 0.000 1.012 275 N HN 0.240 nan 8.380 nan 0.000 0.423 276 A N 0.099 122.822 122.820 -0.161 0.000 1.930 276 A HA -0.086 4.706 4.320 0.787 0.000 0.217 276 A C 2.098 179.556 177.584 -0.210 0.000 1.175 276 A CA 0.764 52.716 52.037 -0.141 0.000 0.627 276 A CB -0.830 18.084 19.000 -0.143 0.000 0.815 276 A HN 0.277 nan 8.150 nan 0.000 0.443 277 F N 0.585 120.242 119.950 -0.488 0.000 2.146 277 F HA -0.130 4.868 4.527 0.784 0.000 0.298 277 F C 2.242 177.734 175.800 -0.514 0.000 1.096 277 F CA 1.816 59.531 58.000 -0.476 0.000 1.275 277 F CB -0.227 38.336 39.000 -0.727 0.000 1.008 277 F HN 0.031 nan 8.300 nan 0.000 0.480 278 V N 0.230 119.744 119.914 -0.666 0.000 2.343 278 V HA -0.299 4.294 4.120 0.787 0.000 0.247 278 V C 2.362 178.062 176.094 -0.656 0.000 1.051 278 V CA 2.245 63.910 62.300 -1.057 0.000 1.036 278 V CB -0.724 30.456 31.823 -1.070 0.000 0.654 278 V HN 0.393 nan 8.190 nan 0.000 0.451 279 E N 0.152 120.112 120.200 -0.399 0.000 2.077 279 E HA -0.221 4.602 4.350 0.787 0.000 0.193 279 E C 2.222 178.709 176.600 -0.187 0.000 0.989 279 E CA 1.413 57.677 56.400 -0.227 0.000 0.800 279 E CB -0.239 29.383 29.700 -0.131 0.000 0.746 279 E HN 0.568 nan 8.360 nan 0.000 0.452 280 A N 0.717 123.407 122.820 -0.216 0.000 1.898 280 A HA -0.150 4.642 4.320 0.787 0.000 0.216 280 A C 2.169 179.638 177.584 -0.192 0.000 1.181 280 A CA 1.280 53.229 52.037 -0.147 0.000 0.620 280 A CB -0.357 18.580 19.000 -0.105 0.000 0.819 280 A HN 0.264 nan 8.150 nan 0.000 0.442 281 M N 0.077 119.443 119.600 -0.390 0.000 2.108 281 M HA -0.147 4.805 4.480 0.787 0.000 0.261 281 M C 1.364 177.655 176.300 -0.016 0.000 1.066 281 M CA 1.565 56.710 55.300 -0.258 0.000 1.107 281 M CB -1.356 31.022 32.600 -0.370 0.000 1.356 281 M HN 0.346 nan 8.290 nan 0.000 0.406 282 D N -0.492 119.885 120.400 -0.038 0.000 2.178 282 D HA -0.088 5.025 4.640 0.787 0.000 0.202 282 D C 2.172 178.488 176.300 0.026 0.000 0.974 282 D CA 0.910 54.944 54.000 0.056 0.000 0.841 282 D CB -0.187 40.637 40.800 0.039 0.000 0.953 282 D HN 0.336 nan 8.370 nan 0.000 0.478 283 R N -0.035 120.458 120.500 -0.012 0.000 2.075 283 R HA 0.004 4.817 4.340 0.787 0.000 0.232 283 R C 2.342 178.643 176.300 0.001 0.000 1.126 283 R CA 0.856 56.953 56.100 -0.005 0.000 0.963 283 R CB -0.234 30.063 30.300 -0.005 0.000 0.858 283 R HN 0.186 nan 8.270 nan 0.000 0.435 284 M N -0.099 119.509 119.600 0.014 0.000 2.175 284 M HA -0.056 4.896 4.480 0.787 0.000 0.264 284 M C 1.808 178.117 176.300 0.016 0.000 1.063 284 M CA 2.018 57.331 55.300 0.021 0.000 1.119 284 M CB -0.109 32.533 32.600 0.070 0.000 1.377 284 M HN 0.243 nan 8.290 nan 0.000 0.415 285 G N -0.119 108.730 108.800 0.081 0.000 2.679 285 G HA2 -0.180 4.252 3.960 0.787 0.000 0.212 285 G HA3 -0.180 4.252 3.960 0.787 0.000 0.212 285 G C 1.066 176.003 174.900 0.061 0.000 1.137 285 G CA 0.461 45.642 45.100 0.134 0.000 0.787 285 G HN 0.642 nan 8.290 nan 0.000 0.534 286 N N -0.067 118.645 118.700 0.021 0.000 2.230 286 N HA 0.161 5.373 4.740 0.787 0.000 0.202 286 N C 0.023 175.512 175.510 -0.034 0.000 1.119 286 N CA -0.340 52.706 53.050 -0.006 0.000 0.851 286 N CB 0.155 38.638 38.487 -0.007 0.000 0.990 286 N HN 0.171 nan 8.380 nan 0.000 0.497 287 I N 2.152 122.692 120.570 -0.050 0.000 2.517 287 I HA -0.070 4.572 4.170 0.787 0.000 0.285 287 I C 0.680 176.746 176.117 -0.085 0.000 1.106 287 I CA 0.021 61.268 61.300 -0.089 0.000 1.402 287 I CB 0.654 38.571 38.000 -0.138 0.000 1.399 287 I HN 0.205 nan 8.210 nan 0.000 0.535 288 T N 4.510 119.012 114.554 -0.088 0.000 3.107 288 T HA -0.127 4.696 4.350 0.787 0.000 0.431 288 T C -1.942 172.715 174.700 -0.070 0.000 0.773 288 T CA -0.704 61.345 62.100 -0.084 0.000 2.334 288 T CB -1.848 66.953 68.868 -0.111 0.000 1.592 288 T HN 0.474 nan 8.240 nan 0.000 0.542 289 P HA 0.487 nan 4.420 nan 0.000 0.277 289 P C 0.261 177.534 177.300 -0.045 0.000 1.240 289 P CA -0.885 62.187 63.100 -0.047 0.000 0.798 289 P CB 0.991 32.661 31.700 -0.051 0.000 0.979 290 L N 2.148 123.349 121.223 -0.036 0.000 2.312 290 L HA 0.450 5.263 4.340 0.787 0.000 0.281 290 L C 1.185 178.028 176.870 -0.043 0.000 1.070 290 L CA -0.015 54.809 54.840 -0.027 0.000 0.805 290 L CB 1.211 43.266 42.059 -0.008 0.000 1.174 290 L HN 0.565 nan 8.230 nan 0.000 0.434 291 T N -1.127 113.404 114.554 -0.039 0.000 2.838 291 T HA 0.761 5.583 4.350 0.787 0.000 0.292 291 T C 0.480 175.171 174.700 -0.016 0.000 1.113 291 T CA -0.061 62.006 62.100 -0.054 0.000 1.008 291 T CB 1.790 70.618 68.868 -0.066 0.000 1.259 291 T HN 0.870 nan 8.240 nan 0.000 0.520 292 G N 1.319 110.120 108.800 0.003 0.000 2.677 292 G HA2 -0.353 4.079 3.960 0.787 0.000 0.321 292 G HA3 -0.353 4.079 3.960 0.787 0.000 0.321 292 G C 0.966 175.894 174.900 0.046 0.000 1.181 292 G CA 1.865 46.989 45.100 0.039 0.000 0.965 292 G HN 2.102 nan 8.290 nan 0.000 0.548 293 T N -0.996 113.578 114.554 0.033 0.000 3.085 293 T HA 0.497 5.319 4.350 0.787 0.000 0.264 293 T C 0.767 175.482 174.700 0.026 0.000 1.019 293 T CA 0.937 63.058 62.100 0.034 0.000 0.910 293 T CB 0.346 69.232 68.868 0.030 0.000 1.059 293 T HN 0.729 nan 8.240 nan 0.000 0.542 294 Q N 1.454 121.266 119.800 0.019 0.000 2.327 294 Q HA 0.507 5.320 4.340 0.787 0.000 0.254 294 Q C 1.101 177.112 176.000 0.019 0.000 0.952 294 Q CA 0.373 56.185 55.803 0.015 0.000 0.884 294 Q CB 0.774 29.515 28.738 0.006 0.000 1.224 294 Q HN 0.592 nan 8.270 nan 0.000 0.422 295 G N 1.618 110.431 108.800 0.022 0.000 2.641 295 G HA2 -0.286 4.147 3.960 0.787 0.000 0.254 295 G HA3 -0.286 4.147 3.960 0.787 0.000 0.254 295 G C -0.672 174.247 174.900 0.032 0.000 1.315 295 G CA 0.002 45.118 45.100 0.026 0.000 0.907 295 G HN 0.676 nan 8.290 nan 0.000 0.572 296 Q N -1.605 118.216 119.800 0.036 0.000 2.882 296 Q HA 0.755 5.568 4.340 0.787 0.000 0.315 296 Q C -0.740 175.291 176.000 0.052 0.000 1.004 296 Q CA -1.192 54.636 55.803 0.043 0.000 0.777 296 Q CB 1.738 30.499 28.738 0.039 0.000 1.506 296 Q HN 0.473 nan 8.270 nan 0.000 0.489 297 I N 1.823 122.428 120.570 0.059 0.000 2.347 297 I HA 0.309 4.951 4.170 0.787 0.000 0.283 297 I C -0.087 176.060 176.117 0.049 0.000 1.058 297 I CA -0.340 61.000 61.300 0.067 0.000 1.202 297 I CB 0.545 38.596 38.000 0.085 0.000 1.386 297 I HN 0.572 nan 8.210 nan 0.000 0.475 298 R N 4.577 125.103 120.500 0.044 0.000 2.570 298 R HA 0.124 4.936 4.340 0.787 0.000 0.277 298 R C 0.972 177.290 176.300 0.029 0.000 1.039 298 R CA 0.021 56.143 56.100 0.036 0.000 1.065 298 R CB 0.909 31.232 30.300 0.039 0.000 0.964 298 R HN 0.579 nan 8.270 nan 0.000 0.428 299 L N 2.044 123.282 121.223 0.024 0.000 2.202 299 L HA 0.022 4.834 4.340 0.787 0.000 0.205 299 L C 0.718 177.597 176.870 0.015 0.000 1.083 299 L CA 0.572 55.422 54.840 0.017 0.000 0.790 299 L CB -0.204 41.864 42.059 0.014 0.000 0.942 299 L HN 0.582 nan 8.230 nan 0.000 0.452 300 N N -0.699 118.012 118.700 0.019 0.000 2.483 300 N HA 0.105 5.317 4.740 0.787 0.000 0.267 300 N C 0.495 176.021 175.510 0.027 0.000 0.998 300 N CA -0.381 52.680 53.050 0.019 0.000 0.918 300 N CB 1.458 39.953 38.487 0.013 0.000 1.215 300 N HN -0.038 nan 8.380 nan 0.000 0.500 301 c N 2.477 121.097 118.600 0.033 0.000 2.409 301 c HA -0.022 5.021 4.570 0.787 0.000 0.288 301 c C 2.111 176.226 174.090 0.041 0.000 1.395 301 c CA 0.512 56.868 56.329 0.045 0.000 1.792 301 c CB -0.917 41.630 42.510 0.061 0.000 1.847 301 c HN 0.685 nan 8.230 nan 0.000 0.534 302 R N 0.263 120.779 120.500 0.027 0.000 2.240 302 R HA 0.116 4.928 4.340 0.787 0.000 0.203 302 R C 0.497 176.810 176.300 0.021 0.000 1.011 302 R CA 0.616 56.721 56.100 0.009 0.000 1.007 302 R CB 0.086 30.379 30.300 -0.012 0.000 0.911 302 R HN 0.568 nan 8.270 nan 0.000 0.468 303 V N -3.572 116.360 119.914 0.030 0.000 3.007 303 V HA 0.468 5.061 4.120 0.787 0.000 0.311 303 V C -0.015 176.109 176.094 0.051 0.000 1.120 303 V CA -1.300 61.024 62.300 0.039 0.000 0.980 303 V CB 2.121 33.950 31.823 0.010 0.000 1.033 303 V HN -0.300 nan 8.190 nan 0.000 0.429 304 V N 2.669 122.625 119.914 0.071 0.000 2.775 304 V HA 0.260 4.853 4.120 0.787 0.000 0.299 304 V C 0.627 176.745 176.094 0.039 0.000 1.062 304 V CA -0.350 61.988 62.300 0.063 0.000 1.063 304 V CB 0.706 32.582 31.823 0.088 0.000 0.994 304 V HN 0.994 nan 8.190 nan 0.000 0.483 305 N N 2.368 121.088 118.700 0.034 0.000 2.454 305 N HA 0.208 5.421 4.740 0.787 0.000 0.254 305 N C 0.058 175.581 175.510 0.021 0.000 1.228 305 N CA 0.101 53.166 53.050 0.025 0.000 0.900 305 N CB 0.896 39.399 38.487 0.025 0.000 1.089 305 N HN 0.951 nan 8.380 nan 0.000 0.449 306 S N 0.000 115.708 115.700 0.014 0.000 2.498 306 S HA 0.000 4.942 4.470 0.787 0.000 0.327 306 S CA 0.000 58.206 58.200 0.010 0.000 1.107 306 S CB 0.000 63.202 63.200 0.003 0.000 0.593 306 S HN 0.000 nan 8.310 nan 0.000 0.517