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 1h80_1_B DATA FIRST_RESID 28 DATA SEQUENCE VSPKTYKDAD FYVAPTQQDV NYDLVDDFGA NGNDTSDDSN ALQRAINAIS DATA SEQUENCE RKPNGGTLLI PNGTYHFLGI QMKSNVHIRV ESDVIIKPTW NGDGKNHRLF DATA SEQUENCE EVGVNNIVRN FSFQGLGNGF LVDFKDSRDK NLAVFKLGDV RNYKISNFTI DATA SEQUENCE DDNKTIFASI LVDVTERNGR LHWSRNGIIE RIKQNNALFG YGLIQTYGAD DATA SEQUENCE NILFRNLHSE GGIALRMETD NLLMKNYKQG GIRNIFADNI RcSKGLAAVM DATA SEQUENCE FGPHFMKNGD VQVTNVSSVS cGSAVRSDSG FVELFXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXGcA QTXXXXXXXX XXXXARVTQK DAcLDKAKLE YGIEPGSFGT DATA SEQUENCE VKVFDVTARF GYNADLKQDQ LDYFSTSNPM cKRVCLPTKE QWSKQGQIYI DATA SEQUENCE GPSLAAVIDT TPETSKYDYD VKTFNVKRIN FPVNSHKTID TNTESSRVcN DATA SEQUENCE YYGMSECSSS RWER 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 28 V HA 0.000 nan 4.120 nan 0.000 0.244 28 V C 0.000 176.051 176.094 -0.072 0.000 1.182 28 V CA 0.000 62.247 62.300 -0.089 0.000 1.235 28 V CB 0.000 31.736 31.823 -0.146 0.000 1.184 29 S N 2.617 118.254 115.700 -0.105 0.000 2.502 29 S HA 0.749 5.219 4.470 -0.000 0.000 0.304 29 S C -2.714 171.630 174.600 -0.427 0.000 1.097 29 S CA -1.341 56.702 58.200 -0.261 0.000 1.045 29 S CB 1.933 65.039 63.200 -0.156 0.000 1.019 29 S HN 0.678 nan 8.310 nan 0.000 0.481 30 P HA 0.126 nan 4.420 nan 0.000 0.269 30 P C -0.816 176.348 177.300 -0.227 0.000 1.209 30 P CA -0.248 62.383 63.100 -0.780 0.000 0.776 30 P CB 0.392 31.466 31.700 -1.043 0.000 0.876 31 K N 1.108 121.519 120.400 0.018 0.000 2.355 31 K HA 0.188 4.508 4.320 -0.000 0.000 0.270 31 K C 0.966 177.645 176.600 0.133 0.000 1.003 31 K CA 0.105 56.479 56.287 0.144 0.000 0.957 31 K CB 0.132 32.841 32.500 0.348 0.000 0.939 31 K HN 0.551 nan 8.250 nan 0.000 0.482 32 T N -0.519 114.054 114.554 0.032 0.000 2.927 32 T HA 0.565 4.914 4.350 -0.000 0.000 0.281 32 T C -0.573 174.085 174.700 -0.071 0.000 0.998 32 T CA -0.680 61.341 62.100 -0.131 0.000 1.019 32 T CB 0.584 69.364 68.868 -0.147 0.000 1.061 32 T HN 0.627 nan 8.240 nan 0.000 0.518 33 Y N -1.921 118.336 120.300 -0.071 0.000 2.713 33 Y HA 0.694 5.243 4.550 -0.000 0.000 0.335 33 Y C -1.342 174.522 175.900 -0.060 0.000 1.222 33 Y CA -1.684 56.334 58.100 -0.137 0.000 1.061 33 Y CB 0.967 39.274 38.460 -0.254 0.000 1.314 33 Y HN 1.001 nan 8.280 nan 0.000 0.453 34 K N -0.452 120.059 120.400 0.184 0.000 2.385 34 K HA 0.530 4.850 4.320 -0.000 0.000 0.248 34 K C -1.046 175.708 176.600 0.256 0.000 0.955 34 K CA -0.713 55.663 56.287 0.149 0.000 0.816 34 K CB 2.479 34.993 32.500 0.023 0.000 1.250 34 K HN 0.471 nan 8.250 nan 0.000 0.434 35 D N 1.233 121.779 120.400 0.243 0.000 2.158 35 D HA -0.167 4.473 4.640 -0.000 0.000 0.197 35 D C 1.663 178.087 176.300 0.207 0.000 0.995 35 D CA 1.985 56.150 54.000 0.276 0.000 0.846 35 D CB -0.290 40.615 40.800 0.175 0.000 0.941 35 D HN 0.693 nan 8.370 nan 0.000 0.456 36 A N 0.551 123.416 122.820 0.075 0.000 2.172 36 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 36 A C 1.404 178.932 177.584 -0.092 0.000 1.154 36 A CA 1.056 53.087 52.037 -0.010 0.000 0.701 36 A CB -0.140 18.836 19.000 -0.040 0.000 0.789 36 A HN 0.030 nan 8.150 nan 0.000 0.465 37 D N -1.363 118.922 120.400 -0.193 0.000 2.317 37 D HA 0.013 4.653 4.640 -0.000 0.000 0.211 37 D C 0.873 176.788 176.300 -0.641 0.000 0.966 37 D CA 0.932 54.650 54.000 -0.472 0.000 0.876 37 D CB -0.062 40.300 40.800 -0.731 0.000 0.927 37 D HN 0.579 nan 8.370 nan 0.000 0.519 38 F N -1.468 118.431 119.950 -0.085 0.000 2.549 38 F HA 0.171 4.698 4.527 -0.000 0.000 0.275 38 F C 0.423 176.216 175.800 -0.011 0.000 0.990 38 F CA -0.410 57.536 58.000 -0.091 0.000 1.274 38 F CB 0.298 39.200 39.000 -0.163 0.000 1.064 38 F HN -0.241 nan 8.300 nan 0.000 0.715 39 Y N 0.464 120.808 120.300 0.074 0.000 2.406 39 Y HA 0.680 5.230 4.550 -0.000 0.000 0.340 39 Y C -1.449 174.456 175.900 0.008 0.000 0.975 39 Y CA -1.944 56.163 58.100 0.013 0.000 1.056 39 Y CB 1.707 40.156 38.460 -0.019 0.000 1.210 39 Y HN -0.276 nan 8.280 nan 0.000 0.448 40 V N 6.394 125.866 119.914 -0.738 0.000 2.376 40 V HA 0.713 4.833 4.120 -0.000 0.000 0.287 40 V C 0.128 175.679 176.094 -0.904 0.000 1.015 40 V CA -0.647 61.294 62.300 -0.597 0.000 0.834 40 V CB 0.854 32.500 31.823 -0.296 0.000 1.001 40 V HN 1.003 nan 8.190 nan 0.000 0.428 41 A N 7.928 130.326 122.820 -0.703 0.000 2.366 41 A HA 0.712 5.032 4.320 -0.000 0.000 0.249 41 A C -1.904 175.510 177.584 -0.283 0.000 1.084 41 A CA -0.976 50.797 52.037 -0.440 0.000 0.794 41 A CB -0.071 18.851 19.000 -0.129 0.000 1.034 41 A HN 0.671 nan 8.150 nan 0.000 0.491 42 P HA 0.178 nan 4.420 nan 0.000 0.275 42 P C 0.343 177.548 177.300 -0.160 0.000 1.228 42 P CA 0.105 63.084 63.100 -0.203 0.000 0.786 42 P CB 0.971 32.517 31.700 -0.258 0.000 0.927 43 T N -1.915 112.571 114.554 -0.112 0.000 3.040 43 T HA 0.113 4.463 4.350 -0.000 0.000 0.250 43 T C 0.560 175.216 174.700 -0.073 0.000 1.058 43 T CA -0.034 62.014 62.100 -0.087 0.000 0.988 43 T CB -0.086 68.739 68.868 -0.071 0.000 0.993 43 T HN 0.663 nan 8.240 nan 0.000 0.519 44 Q N -0.064 119.692 119.800 -0.073 0.000 2.353 44 Q HA 0.624 4.963 4.340 -0.000 0.000 0.275 44 Q C -1.865 174.100 176.000 -0.058 0.000 1.029 44 Q CA -1.081 54.687 55.803 -0.058 0.000 0.848 44 Q CB 1.730 30.442 28.738 -0.043 0.000 1.390 44 Q HN 0.224 nan 8.270 nan 0.000 0.401 45 Q N 0.765 120.531 119.800 -0.056 0.000 2.495 45 Q HA 0.317 4.657 4.340 -0.000 0.000 0.287 45 Q C -0.715 175.253 176.000 -0.053 0.000 1.078 45 Q CA -0.818 54.955 55.803 -0.052 0.000 0.793 45 Q CB 2.029 30.728 28.738 -0.065 0.000 1.459 45 Q HN 0.681 nan 8.270 nan 0.000 0.422 46 D N -0.259 120.107 120.400 -0.056 0.000 2.262 46 D HA 0.065 4.705 4.640 -0.000 0.000 0.212 46 D C 0.524 176.758 176.300 -0.110 0.000 0.964 46 D CA 0.965 54.928 54.000 -0.062 0.000 0.875 46 D CB 0.868 41.645 40.800 -0.039 0.000 0.996 46 D HN 0.333 nan 8.370 nan 0.000 0.497 47 V N -2.273 117.529 119.914 -0.186 0.000 3.159 47 V HA 0.584 4.704 4.120 -0.000 0.000 0.308 47 V C -1.276 174.602 176.094 -0.359 0.000 1.190 47 V CA -1.014 61.076 62.300 -0.350 0.000 1.037 47 V CB 2.519 33.912 31.823 -0.716 0.000 1.060 47 V HN -0.117 nan 8.190 nan 0.000 0.437 48 N N 1.235 119.712 118.700 -0.370 0.000 2.549 48 N HA 0.589 5.329 4.740 -0.000 0.000 0.281 48 N C -2.088 173.369 175.510 -0.089 0.000 1.084 48 N CA -0.371 52.564 53.050 -0.191 0.000 0.862 48 N CB 1.682 40.122 38.487 -0.078 0.000 1.333 48 N HN 0.701 nan 8.380 nan 0.000 0.523 49 Y N 0.222 120.561 120.300 0.066 0.000 2.567 49 Y HA 0.366 4.915 4.550 -0.000 0.000 0.333 49 Y C 0.138 176.092 175.900 0.089 0.000 1.106 49 Y CA -1.173 56.998 58.100 0.119 0.000 1.157 49 Y CB 1.100 39.736 38.460 0.294 0.000 1.277 49 Y HN 0.341 nan 8.280 nan 0.000 0.490 50 D N 1.534 122.108 120.400 0.290 0.000 2.391 50 D HA 0.113 4.752 4.640 -0.000 0.000 0.245 50 D C 0.627 177.048 176.300 0.202 0.000 1.069 50 D CA -0.357 53.742 54.000 0.164 0.000 0.831 50 D CB 2.014 42.879 40.800 0.108 0.000 1.204 50 D HN 0.551 nan 8.370 nan 0.000 0.503 51 L N 4.750 126.053 121.223 0.134 0.000 2.043 51 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 51 L C 1.747 178.727 176.870 0.183 0.000 1.075 51 L CA 1.824 56.750 54.840 0.144 0.000 0.752 51 L CB -0.277 41.765 42.059 -0.028 0.000 0.891 51 L HN 0.426 nan 8.230 nan 0.000 0.432 52 V N -0.600 119.401 119.914 0.145 0.000 2.273 52 V HA -0.180 3.939 4.120 -0.000 0.000 0.242 52 V C 2.158 178.306 176.094 0.090 0.000 1.035 52 V CA 1.811 64.202 62.300 0.151 0.000 1.013 52 V CB -0.697 31.226 31.823 0.168 0.000 0.652 52 V HN 0.391 nan 8.190 nan 0.000 0.452 53 D N 0.022 120.460 120.400 0.064 0.000 2.178 53 D HA -0.122 4.518 4.640 -0.000 0.000 0.202 53 D C 1.646 177.907 176.300 -0.065 0.000 0.974 53 D CA 1.203 55.210 54.000 0.012 0.000 0.841 53 D CB -0.112 40.700 40.800 0.020 0.000 0.953 53 D HN 0.449 nan 8.370 nan 0.000 0.478 54 D N -1.168 119.173 120.400 -0.099 0.000 2.388 54 D HA 0.046 4.685 4.640 -0.000 0.000 0.208 54 D C 0.877 176.709 176.300 -0.781 0.000 1.035 54 D CA 0.246 53.995 54.000 -0.418 0.000 0.875 54 D CB 0.261 40.782 40.800 -0.466 0.000 0.984 54 D HN 0.217 nan 8.370 nan 0.000 0.508 55 F N -0.378 119.530 119.950 -0.071 0.000 2.729 55 F HA 0.296 4.823 4.527 -0.000 0.000 0.315 55 F C 1.505 177.303 175.800 -0.003 0.000 1.102 55 F CA -0.151 57.816 58.000 -0.054 0.000 1.204 55 F CB 1.062 40.027 39.000 -0.058 0.000 1.052 55 F HN -0.070 nan 8.300 nan 0.000 0.551 56 G N 1.196 110.054 108.800 0.097 0.000 2.168 56 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.257 56 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.257 56 G C 0.496 175.479 174.900 0.139 0.000 0.997 56 G CA 0.050 45.206 45.100 0.093 0.000 0.708 56 G HN 0.662 nan 8.290 nan 0.000 0.520 57 A N -0.438 122.499 122.820 0.194 0.000 2.406 57 A HA 0.570 4.889 4.320 -0.000 0.000 0.243 57 A C 0.562 178.287 177.584 0.236 0.000 1.082 57 A CA 0.369 52.554 52.037 0.246 0.000 0.786 57 A CB 0.409 19.600 19.000 0.317 0.000 1.029 57 A HN 0.653 nan 8.150 nan 0.000 0.495 58 N N 0.625 119.453 118.700 0.212 0.000 2.491 58 N HA 0.331 5.071 4.740 -0.000 0.000 0.274 58 N C 0.264 175.769 175.510 -0.007 0.000 1.023 58 N CA 0.249 53.363 53.050 0.107 0.000 0.902 58 N CB 1.602 40.121 38.487 0.053 0.000 1.267 58 N HN 0.655 nan 8.380 nan 0.000 0.503 59 G N 2.264 110.979 108.800 -0.141 0.000 3.314 59 G HA2 0.036 3.996 3.960 -0.000 0.000 0.238 59 G HA3 0.036 3.996 3.960 -0.000 0.000 0.238 59 G C 0.500 175.220 174.900 -0.301 0.000 1.184 59 G CA -0.227 44.517 45.100 -0.593 0.000 0.806 59 G HN 0.648 nan 8.290 nan 0.000 0.536 60 N N -0.023 118.593 118.700 -0.140 0.000 2.184 60 N HA 0.157 4.897 4.740 -0.000 0.000 0.206 60 N C -0.373 175.103 175.510 -0.057 0.000 1.151 60 N CA -0.147 52.854 53.050 -0.082 0.000 0.878 60 N CB 0.781 39.243 38.487 -0.043 0.000 1.014 60 N HN 0.458 nan 8.380 nan 0.000 0.512 61 D N -1.434 118.931 120.400 -0.058 0.000 2.758 61 D HA 0.186 4.825 4.640 -0.000 0.000 0.262 61 D C 0.466 176.740 176.300 -0.042 0.000 1.113 61 D CA -0.576 53.398 54.000 -0.044 0.000 1.114 61 D CB 0.211 40.986 40.800 -0.042 0.000 1.363 61 D HN -0.072 nan 8.370 nan 0.000 0.617 62 T N -3.181 111.310 114.554 -0.105 0.000 3.182 62 T HA 0.366 4.716 4.350 -0.000 0.000 0.277 62 T C -0.034 174.363 174.700 -0.505 0.000 1.013 62 T CA -0.481 61.448 62.100 -0.284 0.000 0.900 62 T CB -0.593 68.156 68.868 -0.198 0.000 1.098 62 T HN 0.217 nan 8.240 nan 0.000 0.543 63 S N 2.086 117.638 115.700 -0.247 0.000 2.616 63 S HA 0.423 4.893 4.470 -0.000 0.000 0.277 63 S C -0.197 174.345 174.600 -0.097 0.000 1.234 63 S CA -0.654 57.446 58.200 -0.167 0.000 1.028 63 S CB 1.025 64.185 63.200 -0.066 0.000 0.988 63 S HN 0.531 nan 8.310 nan 0.000 0.522 64 D N 0.759 121.136 120.400 -0.038 0.000 2.493 64 D HA 0.002 4.642 4.640 -0.000 0.000 0.240 64 D C -0.079 176.286 176.300 0.108 0.000 1.142 64 D CA 0.541 54.575 54.000 0.055 0.000 0.872 64 D CB 0.407 41.236 40.800 0.048 0.000 1.173 64 D HN 0.392 nan 8.370 nan 0.000 0.467 65 D N 2.000 122.504 120.400 0.173 0.000 2.469 65 D HA 0.034 4.673 4.640 -0.000 0.000 0.215 65 D C 1.221 177.781 176.300 0.434 0.000 1.154 65 D CA 0.006 54.172 54.000 0.276 0.000 0.832 65 D CB 0.501 41.471 40.800 0.283 0.000 1.008 65 D HN 0.241 nan 8.370 nan 0.000 0.506 66 S N 0.910 116.833 115.700 0.372 0.000 2.370 66 S HA -0.164 4.305 4.470 -0.000 0.000 0.226 66 S C 1.764 176.450 174.600 0.144 0.000 1.033 66 S CA 0.768 59.147 58.200 0.298 0.000 1.011 66 S CB -0.085 63.223 63.200 0.180 0.000 0.852 66 S HN 0.408 nan 8.310 nan 0.000 0.457 67 N N 1.350 120.119 118.700 0.116 0.000 2.120 67 N HA -0.120 4.620 4.740 -0.000 0.000 0.188 67 N C 1.879 177.431 175.510 0.069 0.000 1.024 67 N CA 1.241 54.333 53.050 0.070 0.000 0.852 67 N CB -0.227 38.298 38.487 0.064 0.000 1.003 67 N HN 0.393 nan 8.380 nan 0.000 0.424 68 A N 1.413 124.304 122.820 0.119 0.000 1.877 68 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 68 A C 2.164 179.753 177.584 0.010 0.000 1.186 68 A CA 0.980 53.095 52.037 0.130 0.000 0.620 68 A CB -0.801 18.318 19.000 0.197 0.000 0.822 68 A HN 0.365 nan 8.150 nan 0.000 0.443 69 L N -0.612 120.620 121.223 0.015 0.000 2.046 69 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 69 L C 2.443 179.188 176.870 -0.209 0.000 1.077 69 L CA 2.661 57.403 54.840 -0.164 0.000 0.747 69 L CB -0.787 41.068 42.059 -0.339 0.000 0.896 69 L HN 0.468 nan 8.230 nan 0.000 0.432 70 Q N -0.259 119.468 119.800 -0.121 0.000 2.084 70 Q HA -0.176 4.163 4.340 -0.000 0.000 0.202 70 Q C 2.379 178.288 176.000 -0.151 0.000 0.978 70 Q CA 1.752 57.486 55.803 -0.114 0.000 0.844 70 Q CB -0.129 28.575 28.738 -0.056 0.000 0.898 70 Q HN 0.444 nan 8.270 nan 0.000 0.426 71 R N -0.703 119.708 120.500 -0.150 0.000 2.096 71 R HA -0.052 4.287 4.340 -0.000 0.000 0.235 71 R C 2.181 178.178 176.300 -0.505 0.000 1.127 71 R CA 1.057 57.060 56.100 -0.161 0.000 0.968 71 R CB -0.389 29.924 30.300 0.023 0.000 0.861 71 R HN 0.323 nan 8.270 nan 0.000 0.440 72 A N 1.274 123.533 122.820 -0.936 0.000 1.873 72 A HA -0.123 4.197 4.320 -0.000 0.000 0.215 72 A C 2.138 179.384 177.584 -0.564 0.000 1.186 72 A CA 1.080 52.212 52.037 -1.509 0.000 0.616 72 A CB -0.441 17.855 19.000 -1.175 0.000 0.823 72 A HN 0.151 nan 8.150 nan 0.000 0.442 73 I N 0.228 120.590 120.570 -0.346 0.000 2.163 73 I HA -0.299 3.871 4.170 -0.000 0.000 0.243 73 I C 2.106 178.158 176.117 -0.109 0.000 1.085 73 I CA 1.458 62.656 61.300 -0.171 0.000 1.347 73 I CB -0.466 37.455 38.000 -0.132 0.000 1.044 73 I HN 0.306 nan 8.210 nan 0.000 0.408 74 N N 1.054 119.685 118.700 -0.116 0.000 2.188 74 N HA -0.117 4.623 4.740 -0.000 0.000 0.184 74 N C 1.859 177.366 175.510 -0.005 0.000 1.018 74 N CA 1.536 54.555 53.050 -0.052 0.000 0.858 74 N CB -0.475 37.986 38.487 -0.044 0.000 0.989 74 N HN 0.361 nan 8.380 nan 0.000 0.426 75 A N 1.013 123.831 122.820 -0.003 0.000 1.902 75 A HA -0.063 4.257 4.320 -0.000 0.000 0.217 75 A C 2.288 179.987 177.584 0.192 0.000 1.181 75 A CA 0.945 53.064 52.037 0.137 0.000 0.623 75 A CB -0.626 18.533 19.000 0.264 0.000 0.818 75 A HN 0.222 nan 8.150 nan 0.000 0.443 76 I N -1.117 119.543 120.570 0.150 0.000 2.252 76 I HA -0.171 3.999 4.170 -0.000 0.000 0.245 76 I C 2.724 178.873 176.117 0.053 0.000 1.102 76 I CA 1.440 62.805 61.300 0.107 0.000 1.385 76 I CB -0.267 37.763 38.000 0.050 0.000 1.064 76 I HN 0.353 nan 8.210 nan 0.000 0.414 77 S N 0.554 116.273 115.700 0.032 0.000 2.442 77 S HA -0.117 4.353 4.470 -0.000 0.000 0.236 77 S C 2.044 176.661 174.600 0.028 0.000 1.007 77 S CA 1.165 59.379 58.200 0.023 0.000 0.965 77 S CB -0.220 62.982 63.200 0.005 0.000 0.773 77 S HN 0.316 nan 8.310 nan 0.000 0.504 78 R N 0.517 121.041 120.500 0.040 0.000 2.189 78 R HA 0.095 4.435 4.340 -0.000 0.000 0.218 78 R C 0.189 176.514 176.300 0.042 0.000 1.074 78 R CA 0.617 56.741 56.100 0.040 0.000 0.991 78 R CB 0.092 30.424 30.300 0.052 0.000 0.883 78 R HN 0.149 nan 8.270 nan 0.000 0.457 79 K N 0.802 121.230 120.400 0.047 0.000 2.322 79 K HA 0.088 4.408 4.320 -0.000 0.000 0.283 79 K C -1.915 174.699 176.600 0.024 0.000 1.042 79 K CA -1.960 54.347 56.287 0.035 0.000 0.958 79 K CB 0.734 33.249 32.500 0.025 0.000 0.984 79 K HN -0.193 nan 8.250 nan 0.000 0.473 80 P HA -0.163 nan 4.420 nan 0.000 0.216 80 P C 0.281 177.590 177.300 0.015 0.000 1.154 80 P CA 1.430 64.539 63.100 0.014 0.000 0.865 80 P CB 0.308 32.014 31.700 0.009 0.000 0.789 81 N N -1.397 117.309 118.700 0.010 0.000 2.235 81 N HA 0.141 4.881 4.740 -0.000 0.000 0.209 81 N C 1.128 176.653 175.510 0.024 0.000 1.122 81 N CA 0.807 53.863 53.050 0.011 0.000 0.845 81 N CB 0.417 38.900 38.487 -0.006 0.000 1.004 81 N HN 0.100 nan 8.380 nan 0.000 0.499 82 G N 0.530 109.347 108.800 0.029 0.000 2.574 82 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.282 82 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.282 82 G C 0.125 175.031 174.900 0.010 0.000 1.257 82 G CA -0.080 45.045 45.100 0.041 0.000 0.956 82 G HN 0.693 nan 8.290 nan 0.000 0.560 83 G N -3.758 105.070 108.800 0.046 0.000 2.321 83 G HA2 0.665 4.625 3.960 -0.000 0.000 0.296 83 G HA3 0.665 4.625 3.960 -0.000 0.000 0.296 83 G C -0.869 174.046 174.900 0.024 0.000 1.287 83 G CA 0.693 45.782 45.100 -0.018 0.000 0.846 83 G HN 1.470 nan 8.290 nan 0.000 0.508 84 T N 0.185 114.712 114.554 -0.046 0.000 2.888 84 T HA 0.628 4.977 4.350 -0.000 0.000 0.284 84 T C -1.003 173.666 174.700 -0.051 0.000 1.017 84 T CA -0.263 61.819 62.100 -0.030 0.000 1.022 84 T CB 1.674 70.518 68.868 -0.039 0.000 1.013 84 T HN 0.756 nan 8.240 nan 0.000 0.465 85 L N 3.705 124.886 121.223 -0.070 0.000 2.356 85 L HA 0.718 5.057 4.340 -0.000 0.000 0.277 85 L C -1.396 175.405 176.870 -0.115 0.000 0.996 85 L CA -0.910 53.896 54.840 -0.057 0.000 0.822 85 L CB 1.361 43.352 42.059 -0.113 0.000 1.256 85 L HN 0.537 nan 8.230 nan 0.000 0.413 86 L N 6.263 127.452 121.223 -0.057 0.000 2.289 86 L HA 0.575 4.915 4.340 -0.000 0.000 0.285 86 L C -0.820 175.983 176.870 -0.111 0.000 1.049 86 L CA 0.077 54.865 54.840 -0.086 0.000 0.804 86 L CB 1.054 43.098 42.059 -0.026 0.000 1.195 86 L HN 0.569 nan 8.230 nan 0.000 0.428 87 I N 8.269 128.726 120.570 -0.190 0.000 2.337 87 I HA 0.332 4.502 4.170 -0.000 0.000 0.285 87 I C -2.028 174.028 176.117 -0.102 0.000 1.041 87 I CA -1.777 59.380 61.300 -0.237 0.000 1.199 87 I CB 1.189 38.966 38.000 -0.371 0.000 1.370 87 I HN 0.522 nan 8.210 nan 0.000 0.470 88 P HA 0.071 nan 4.420 nan 0.000 0.274 88 P C -0.701 176.729 177.300 0.217 0.000 1.246 88 P CA -0.526 62.636 63.100 0.105 0.000 0.795 88 P CB 0.584 32.352 31.700 0.113 0.000 1.006 89 N N 0.001 118.793 118.700 0.154 0.000 2.293 89 N HA 0.247 4.986 4.740 -0.000 0.000 0.253 89 N C 0.920 176.513 175.510 0.139 0.000 1.248 89 N CA 1.450 54.589 53.050 0.149 0.000 0.845 89 N CB -0.287 38.255 38.487 0.093 0.000 1.073 89 N HN 0.785 nan 8.380 nan 0.000 0.464 90 G N 0.187 109.029 108.800 0.070 0.000 2.359 90 G HA2 0.126 4.086 3.960 -0.000 0.000 0.293 90 G HA3 0.126 4.086 3.960 -0.000 0.000 0.293 90 G C -1.524 173.168 174.900 -0.348 0.000 1.300 90 G CA -0.800 44.189 45.100 -0.185 0.000 0.888 90 G HN 0.396 nan 8.290 nan 0.000 0.541 91 T N 0.975 115.205 114.554 -0.539 0.000 2.770 91 T HA 0.674 5.024 4.350 -0.000 0.000 0.283 91 T C -1.206 173.079 174.700 -0.692 0.000 0.988 91 T CA 0.024 61.873 62.100 -0.418 0.000 0.957 91 T CB 0.720 69.473 68.868 -0.192 0.000 0.930 91 T HN 0.403 nan 8.240 nan 0.000 0.443 92 Y N 1.037 121.197 120.300 -0.233 0.000 2.524 92 Y HA 0.534 5.084 4.550 -0.000 0.000 0.344 92 Y C 0.181 175.672 175.900 -0.682 0.000 1.012 92 Y CA -1.171 56.661 58.100 -0.445 0.000 1.068 92 Y CB 1.390 39.408 38.460 -0.736 0.000 1.249 92 Y HN 0.629 nan 8.280 nan 0.000 0.468 93 H N 1.822 120.632 119.070 -0.432 0.000 2.587 93 H HA 0.540 5.096 4.556 -0.000 0.000 0.325 93 H C -1.446 173.690 175.328 -0.320 0.000 1.012 93 H CA -0.700 55.176 56.048 -0.286 0.000 1.213 93 H CB 0.594 30.294 29.762 -0.103 0.000 1.431 93 H HN 0.362 nan 8.280 nan 0.000 0.492 94 F N 2.322 122.332 119.950 0.100 0.000 2.593 94 F HA 0.634 5.161 4.527 -0.000 0.000 0.320 94 F C -0.888 174.846 175.800 -0.110 0.000 1.060 94 F CA -1.148 56.863 58.000 0.018 0.000 0.940 94 F CB 1.684 40.698 39.000 0.024 0.000 1.268 94 F HN 0.297 nan 8.300 nan 0.000 0.475 95 L N 0.470 121.742 121.223 0.082 0.000 2.643 95 L HA 0.581 4.920 4.340 -0.000 0.000 0.257 95 L C 0.050 176.856 176.870 -0.106 0.000 0.922 95 L CA 0.132 54.913 54.840 -0.100 0.000 0.909 95 L CB 2.145 44.113 42.059 -0.152 0.000 1.424 95 L HN 0.826 nan 8.230 nan 0.000 0.422 96 G N 3.995 112.706 108.800 -0.149 0.000 2.225 96 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.267 96 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.267 96 G C 0.238 175.099 174.900 -0.065 0.000 1.024 96 G CA 0.296 45.332 45.100 -0.108 0.000 0.784 96 G HN 0.453 nan 8.290 nan 0.000 0.507 97 I N 0.376 120.921 120.570 -0.042 0.000 2.556 97 I HA 0.149 4.318 4.170 -0.000 0.000 0.284 97 I C 0.466 176.583 176.117 -0.001 0.000 1.114 97 I CA 0.078 61.383 61.300 0.008 0.000 1.418 97 I CB 0.867 38.935 38.000 0.113 0.000 1.394 97 I HN 0.140 nan 8.210 nan 0.000 0.552 98 Q N 6.233 126.011 119.800 -0.037 0.000 2.398 98 Q HA 0.391 4.730 4.340 -0.000 0.000 0.251 98 Q C -0.103 175.841 176.000 -0.094 0.000 0.999 98 Q CA -0.658 55.106 55.803 -0.065 0.000 0.874 98 Q CB 1.702 30.401 28.738 -0.065 0.000 1.215 98 Q HN 0.438 nan 8.270 nan 0.000 0.470 99 M N 1.732 121.239 119.600 -0.156 0.000 2.226 99 M HA 0.288 4.768 4.480 -0.000 0.000 0.324 99 M C 0.346 176.513 176.300 -0.222 0.000 1.112 99 M CA 0.298 55.447 55.300 -0.252 0.000 1.176 99 M CB 0.203 32.396 32.600 -0.678 0.000 1.430 99 M HN 0.208 nan 8.290 nan 0.000 0.462 100 K N 0.368 120.680 120.400 -0.146 0.000 2.480 100 K HA 0.469 4.788 4.320 -0.000 0.000 0.258 100 K C -0.721 175.871 176.600 -0.014 0.000 0.990 100 K CA -0.694 55.544 56.287 -0.081 0.000 0.857 100 K CB 1.413 33.885 32.500 -0.046 0.000 1.384 100 K HN 0.571 nan 8.250 nan 0.000 0.446 101 S N 1.988 117.684 115.700 -0.007 0.000 2.563 101 S HA 0.015 4.485 4.470 -0.000 0.000 0.284 101 S C 0.444 175.073 174.600 0.048 0.000 1.331 101 S CA -0.100 58.122 58.200 0.037 0.000 1.047 101 S CB -0.091 63.123 63.200 0.023 0.000 0.859 101 S HN 0.626 nan 8.310 nan 0.000 0.514 102 N N -0.933 117.806 118.700 0.065 0.000 2.714 102 N HA -0.149 4.591 4.740 -0.000 0.000 0.250 102 N C -0.973 174.531 175.510 -0.010 0.000 1.117 102 N CA 0.506 53.603 53.050 0.079 0.000 0.719 102 N CB -1.475 37.072 38.487 0.100 0.000 1.081 102 N HN 0.325 nan 8.380 nan 0.000 0.557 103 V N 1.497 121.322 119.914 -0.148 0.000 2.398 103 V HA 0.289 4.409 4.120 -0.000 0.000 0.286 103 V C 0.192 175.953 176.094 -0.555 0.000 1.026 103 V CA -0.523 61.687 62.300 -0.151 0.000 0.868 103 V CB 1.854 33.699 31.823 0.036 0.000 0.982 103 V HN 0.171 nan 8.190 nan 0.000 0.443 104 H N 5.475 124.473 119.070 -0.119 0.000 2.860 104 H HA 0.486 5.042 4.556 -0.000 0.000 0.312 104 H C -0.612 174.553 175.328 -0.272 0.000 0.995 104 H CA -0.332 55.580 56.048 -0.227 0.000 1.311 104 H CB 1.732 31.418 29.762 -0.127 0.000 1.478 104 H HN 0.479 nan 8.280 nan 0.000 0.508 105 I N 3.804 124.141 120.570 -0.387 0.000 2.365 105 I HA 0.240 4.410 4.170 -0.000 0.000 0.291 105 I C 0.271 176.102 176.117 -0.475 0.000 1.004 105 I CA -0.532 60.459 61.300 -0.514 0.000 1.311 105 I CB 0.694 38.140 38.000 -0.923 0.000 1.401 105 I HN 0.204 nan 8.210 nan 0.000 0.491 106 R N 5.420 125.707 120.500 -0.355 0.000 2.534 106 R HA 0.621 4.961 4.340 -0.000 0.000 0.301 106 R C -1.253 174.880 176.300 -0.278 0.000 0.961 106 R CA -0.889 55.069 56.100 -0.236 0.000 0.871 106 R CB 2.163 32.393 30.300 -0.117 0.000 1.170 106 R HN 0.310 nan 8.270 nan 0.000 0.446 107 V N 2.794 122.560 119.914 -0.246 0.000 2.448 107 V HA 0.283 4.402 4.120 -0.000 0.000 0.295 107 V C 0.552 176.596 176.094 -0.084 0.000 1.025 107 V CA -0.921 61.191 62.300 -0.313 0.000 0.859 107 V CB 1.885 33.218 31.823 -0.817 0.000 0.988 107 V HN 0.599 nan 8.190 nan 0.000 0.431 108 E N 1.738 121.915 120.200 -0.039 0.000 2.418 108 E HA 0.023 4.372 4.350 -0.000 0.000 0.261 108 E C 0.988 177.667 176.600 0.131 0.000 1.070 108 E CA 0.121 56.553 56.400 0.054 0.000 0.931 108 E CB 0.701 30.436 29.700 0.058 0.000 0.954 108 E HN 0.687 nan 8.360 nan 0.000 0.439 109 S N 1.246 117.033 115.700 0.146 0.000 2.469 109 S HA -0.124 4.345 4.470 -0.000 0.000 0.238 109 S C 0.643 175.353 174.600 0.183 0.000 0.998 109 S CA 1.080 59.390 58.200 0.183 0.000 0.957 109 S CB 0.069 63.348 63.200 0.132 0.000 0.764 109 S HN 0.375 nan 8.310 nan 0.000 0.514 110 D N 0.796 121.287 120.400 0.151 0.000 2.402 110 D HA 0.210 4.849 4.640 -0.000 0.000 0.216 110 D C -0.148 176.244 176.300 0.154 0.000 1.128 110 D CA -0.004 54.078 54.000 0.135 0.000 0.833 110 D CB 0.648 41.503 40.800 0.093 0.000 0.971 110 D HN 0.177 nan 8.370 nan 0.000 0.503 111 V N 1.616 121.651 119.914 0.202 0.000 2.715 111 V HA 0.121 4.241 4.120 -0.000 0.000 0.299 111 V C 0.605 176.857 176.094 0.262 0.000 1.054 111 V CA 0.118 62.550 62.300 0.221 0.000 1.077 111 V CB 1.337 33.260 31.823 0.165 0.000 0.972 111 V HN 0.002 nan 8.190 nan 0.000 0.484 112 I N 5.525 126.213 120.570 0.196 0.000 2.466 112 I HA 0.487 4.656 4.170 -0.000 0.000 0.289 112 I C -0.596 175.607 176.117 0.144 0.000 1.026 112 I CA -0.279 61.120 61.300 0.166 0.000 1.078 112 I CB 1.846 39.884 38.000 0.063 0.000 1.249 112 I HN 0.402 nan 8.210 nan 0.000 0.429 113 I N 6.565 127.255 120.570 0.200 0.000 2.378 113 I HA 0.404 4.574 4.170 -0.000 0.000 0.291 113 I C -0.380 175.765 176.117 0.047 0.000 0.992 113 I CA -0.578 60.811 61.300 0.148 0.000 1.154 113 I CB 1.550 39.776 38.000 0.378 0.000 1.315 113 I HN 0.474 nan 8.210 nan 0.000 0.448 114 K N 7.076 127.386 120.400 -0.149 0.000 2.328 114 K HA 0.548 4.868 4.320 -0.000 0.000 0.246 114 K C -2.671 173.884 176.600 -0.074 0.000 0.955 114 K CA -1.752 54.464 56.287 -0.118 0.000 0.817 114 K CB 2.231 34.520 32.500 -0.351 0.000 1.208 114 K HN 0.252 nan 8.250 nan 0.000 0.432 115 P HA 0.051 nan 4.420 nan 0.000 0.280 115 P C -0.704 176.669 177.300 0.121 0.000 1.244 115 P CA -0.256 62.861 63.100 0.029 0.000 0.784 115 P CB 0.730 32.388 31.700 -0.069 0.000 0.913 116 T N 3.928 118.545 114.554 0.105 0.000 2.901 116 T HA 0.020 4.370 4.350 -0.000 0.000 0.301 116 T C 0.069 174.839 174.700 0.117 0.000 1.012 116 T CA -0.166 62.025 62.100 0.153 0.000 1.135 116 T CB 0.275 69.187 68.868 0.073 0.000 0.936 116 T HN 0.435 nan 8.240 nan 0.000 0.539 117 W N 4.584 125.873 121.300 -0.017 0.000 2.251 117 W HA 0.161 4.821 4.660 -0.001 0.000 0.327 117 W C -0.249 176.224 176.519 -0.078 0.000 1.361 117 W CA -0.332 56.990 57.345 -0.038 0.000 1.234 117 W CB 0.296 29.743 29.460 -0.022 0.000 1.212 117 W HN 0.477 nan 8.180 nan 0.000 0.557 118 N N 4.040 122.093 118.700 -1.079 0.000 2.500 118 N HA 0.196 4.936 4.740 -0.000 0.000 0.291 118 N C 0.001 174.704 175.510 -1.344 0.000 1.092 118 N CA -0.255 52.172 53.050 -1.039 0.000 0.890 118 N CB 1.633 39.610 38.487 -0.850 0.000 1.466 118 N HN 0.614 nan 8.380 nan 0.000 0.507 119 G N 1.351 109.464 108.800 -1.146 0.000 3.448 119 G HA2 -0.034 3.925 3.960 -0.000 0.000 0.261 119 G HA3 -0.034 3.925 3.960 -0.000 0.000 0.261 119 G C 0.590 175.353 174.900 -0.229 0.000 1.173 119 G CA -0.143 44.550 45.100 -0.679 0.000 0.835 119 G HN 0.686 nan 8.290 nan 0.000 0.534 120 D N -0.609 119.689 120.400 -0.170 0.000 2.363 120 D HA 0.106 4.746 4.640 -0.000 0.000 0.226 120 D C 1.861 178.133 176.300 -0.048 0.000 1.020 120 D CA 0.413 54.375 54.000 -0.064 0.000 0.892 120 D CB -0.475 40.307 40.800 -0.028 0.000 0.900 120 D HN 0.308 nan 8.370 nan 0.000 0.531 121 G N 0.011 108.769 108.800 -0.071 0.000 2.175 121 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.265 121 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.265 121 G C 0.308 175.107 174.900 -0.168 0.000 0.979 121 G CA 0.663 45.713 45.100 -0.084 0.000 0.663 121 G HN 0.511 nan 8.290 nan 0.000 0.533 122 K N 0.014 120.260 120.400 -0.257 0.000 2.117 122 K HA 0.332 4.652 4.320 -0.000 0.000 0.240 122 K C 0.153 176.374 176.600 -0.632 0.000 1.031 122 K CA -0.795 55.309 56.287 -0.304 0.000 0.909 122 K CB 0.280 32.691 32.500 -0.148 0.000 1.097 122 K HN 0.092 nan 8.250 nan 0.000 0.492 123 N N 1.962 120.439 118.700 -0.373 0.000 2.442 123 N HA 0.090 4.830 4.740 -0.000 0.000 0.265 123 N C -0.715 174.542 175.510 -0.423 0.000 1.138 123 N CA 0.153 52.972 53.050 -0.386 0.000 0.956 123 N CB 0.377 38.674 38.487 -0.316 0.000 1.067 123 N HN 0.423 nan 8.380 nan 0.000 0.474 124 H N 0.916 119.849 119.070 -0.228 0.000 2.616 124 H HA 0.615 5.171 4.556 -0.000 0.000 0.353 124 H C -0.189 174.981 175.328 -0.263 0.000 1.170 124 H CA -0.843 55.068 56.048 -0.228 0.000 1.212 124 H CB 1.562 31.202 29.762 -0.202 0.000 1.653 124 H HN 0.233 nan 8.280 nan 0.000 0.537 125 R N 0.847 121.292 120.500 -0.092 0.000 2.725 125 R HA 0.195 4.535 4.340 -0.000 0.000 0.277 125 R C -0.324 175.820 176.300 -0.260 0.000 0.987 125 R CA -0.655 55.342 56.100 -0.172 0.000 0.901 125 R CB 1.307 31.516 30.300 -0.152 0.000 1.207 125 R HN 0.397 nan 8.270 nan 0.000 0.463 126 L N 1.212 122.177 121.223 -0.429 0.000 2.044 126 L HA 0.232 4.571 4.340 -0.000 0.000 0.205 126 L C -0.071 176.233 176.870 -0.944 0.000 1.075 126 L CA 1.625 55.987 54.840 -0.797 0.000 0.747 126 L CB -0.112 41.191 42.059 -1.259 0.000 0.903 126 L HN 0.442 nan 8.230 nan 0.000 0.435 127 F N -1.325 118.417 119.950 -0.346 0.000 2.547 127 F HA 0.484 5.011 4.527 -0.000 0.000 0.316 127 F C -0.038 175.640 175.800 -0.203 0.000 1.121 127 F CA -1.409 56.377 58.000 -0.357 0.000 0.911 127 F CB 1.146 39.719 39.000 -0.711 0.000 1.179 127 F HN -0.174 nan 8.300 nan 0.000 0.443 128 E N 2.134 122.358 120.200 0.040 0.000 2.176 128 E HA 0.634 4.984 4.350 -0.000 0.000 0.267 128 E C -1.382 175.183 176.600 -0.058 0.000 0.893 128 E CA -0.877 55.521 56.400 -0.003 0.000 0.761 128 E CB 2.925 32.599 29.700 -0.043 0.000 1.133 128 E HN 0.346 nan 8.360 nan 0.000 0.409 129 V N 2.031 121.896 119.914 -0.083 0.000 2.340 129 V HA 0.450 4.570 4.120 -0.000 0.000 0.277 129 V C 0.824 176.801 176.094 -0.196 0.000 1.017 129 V CA -0.162 61.991 62.300 -0.244 0.000 0.820 129 V CB 0.835 32.440 31.823 -0.364 0.000 1.028 129 V HN 1.037 nan 8.190 nan 0.000 0.436 130 G N 3.425 112.122 108.800 -0.173 0.000 2.136 130 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.242 130 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.242 130 G C 0.458 175.311 174.900 -0.079 0.000 0.989 130 G CA 0.337 45.362 45.100 -0.126 0.000 0.682 130 G HN 0.619 nan 8.290 nan 0.000 0.522 131 V N 0.191 120.063 119.914 -0.069 0.000 2.446 131 V HA -0.002 4.118 4.120 -0.000 0.000 0.244 131 V C 1.982 178.049 176.094 -0.045 0.000 1.039 131 V CA 2.046 64.319 62.300 -0.044 0.000 1.045 131 V CB -0.181 31.616 31.823 -0.043 0.000 0.681 131 V HN 0.503 nan 8.190 nan 0.000 0.459 132 N N 0.784 119.450 118.700 -0.056 0.000 2.187 132 N HA 0.115 4.855 4.740 -0.000 0.000 0.212 132 N C -0.101 175.373 175.510 -0.060 0.000 1.152 132 N CA 0.138 53.157 53.050 -0.051 0.000 0.872 132 N CB 0.538 38.997 38.487 -0.047 0.000 1.025 132 N HN 0.704 nan 8.380 nan 0.000 0.514 133 N N -0.142 118.513 118.700 -0.076 0.000 3.364 133 N HA 0.266 5.006 4.740 -0.000 0.000 0.294 133 N C -1.422 174.024 175.510 -0.106 0.000 1.562 133 N CA -0.534 52.465 53.050 -0.085 0.000 0.862 133 N CB 0.809 39.250 38.487 -0.076 0.000 1.691 133 N HN -0.214 nan 8.380 nan 0.000 0.572 134 I N 0.577 121.083 120.570 -0.107 0.000 2.336 134 I HA 0.456 4.626 4.170 -0.000 0.000 0.292 134 I C -0.563 175.500 176.117 -0.090 0.000 0.991 134 I CA -1.081 60.150 61.300 -0.115 0.000 1.227 134 I CB 1.714 39.642 38.000 -0.121 0.000 1.366 134 I HN 0.190 nan 8.210 nan 0.000 0.466 135 V N 6.837 126.698 119.914 -0.089 0.000 2.540 135 V HA 0.592 4.711 4.120 -0.000 0.000 0.302 135 V C -0.215 175.877 176.094 -0.004 0.000 1.035 135 V CA -0.730 61.528 62.300 -0.071 0.000 0.873 135 V CB 1.911 33.641 31.823 -0.156 0.000 0.992 135 V HN 0.623 nan 8.190 nan 0.000 0.428 136 R N 3.620 124.146 120.500 0.042 0.000 2.628 136 R HA 0.480 4.820 4.340 -0.000 0.000 0.288 136 R C -0.831 175.560 176.300 0.152 0.000 0.980 136 R CA -0.834 55.323 56.100 0.095 0.000 0.891 136 R CB 1.693 32.027 30.300 0.056 0.000 1.188 136 R HN 0.871 nan 8.270 nan 0.000 0.450 137 N N 1.426 120.262 118.700 0.227 0.000 2.573 137 N HA -0.246 4.494 4.740 -0.000 0.000 0.275 137 N C -1.077 174.591 175.510 0.265 0.000 1.208 137 N CA 0.777 54.000 53.050 0.289 0.000 0.688 137 N CB -1.020 37.601 38.487 0.224 0.000 0.882 137 N HN 0.536 nan 8.380 nan 0.000 0.548 138 F N 0.746 120.787 119.950 0.151 0.000 2.578 138 F HA 0.706 5.232 4.527 -0.000 0.000 0.311 138 F C -0.546 175.283 175.800 0.049 0.000 1.094 138 F CA -0.474 57.482 58.000 -0.073 0.000 0.923 138 F CB 1.755 40.742 39.000 -0.022 0.000 1.230 138 F HN 0.240 nan 8.300 nan 0.000 0.450 139 S N 4.552 119.556 115.700 -1.159 0.000 2.556 139 S HA 0.773 5.243 4.470 -0.000 0.000 0.271 139 S C -1.842 172.237 174.600 -0.868 0.000 1.135 139 S CA -0.626 57.133 58.200 -0.735 0.000 0.858 139 S CB 1.993 65.116 63.200 -0.129 0.000 1.114 139 S HN 0.743 nan 8.310 nan 0.000 0.468 140 F N 1.783 121.399 119.950 -0.556 0.000 2.745 140 F HA 0.482 5.009 4.527 -0.000 0.000 0.343 140 F C -1.094 174.688 175.800 -0.030 0.000 1.196 140 F CA -0.228 57.611 58.000 -0.268 0.000 1.021 140 F CB 1.558 40.519 39.000 -0.064 0.000 1.297 140 F HN 0.806 nan 8.300 nan 0.000 0.486 141 Q N 3.830 123.714 119.800 0.141 0.000 2.331 141 Q HA 0.622 4.962 4.340 -0.000 0.000 0.272 141 Q C -0.264 175.915 176.000 0.298 0.000 1.062 141 Q CA -1.362 54.594 55.803 0.256 0.000 0.806 141 Q CB 2.554 31.348 28.738 0.093 0.000 1.312 141 Q HN 0.785 nan 8.270 nan 0.000 0.431 142 G N 2.062 111.175 108.800 0.523 0.000 2.415 142 G HA2 0.486 4.446 3.960 -0.000 0.000 0.269 142 G HA3 0.486 4.446 3.960 -0.000 0.000 0.269 142 G C -0.341 174.728 174.900 0.282 0.000 1.209 142 G CA -0.498 44.942 45.100 0.566 0.000 0.835 142 G HN 0.434 nan 8.290 nan 0.000 0.534 143 L N 1.547 122.894 121.223 0.206 0.000 2.456 143 L HA 0.525 4.865 4.340 -0.000 0.000 0.257 143 L C 1.639 178.589 176.870 0.134 0.000 1.162 143 L CA 0.642 55.558 54.840 0.126 0.000 0.808 143 L CB 0.717 42.825 42.059 0.080 0.000 1.136 143 L HN 0.968 nan 8.230 nan 0.000 0.466 144 G N 2.026 110.882 108.800 0.093 0.000 2.611 144 G HA2 -0.430 3.530 3.960 -0.000 0.000 0.301 144 G HA3 -0.430 3.530 3.960 -0.000 0.000 0.301 144 G C 0.448 175.400 174.900 0.087 0.000 1.233 144 G CA 0.723 45.872 45.100 0.082 0.000 0.993 144 G HN 0.989 nan 8.290 nan 0.000 0.553 145 N N 2.288 121.039 118.700 0.085 0.000 2.370 145 N HA 0.469 5.208 4.740 -0.000 0.000 0.198 145 N C 1.093 176.656 175.510 0.087 0.000 1.156 145 N CA 1.647 54.740 53.050 0.072 0.000 0.839 145 N CB 0.061 38.581 38.487 0.056 0.000 0.989 145 N HN 2.384 nan 8.380 nan 0.000 0.468 146 G N -0.663 108.224 108.800 0.145 0.000 2.707 146 G HA2 0.014 3.974 3.960 -0.000 0.000 0.686 146 G HA3 0.014 3.974 3.960 -0.000 0.000 0.686 146 G C -0.564 174.487 174.900 0.252 0.000 1.315 146 G CA -0.458 44.754 45.100 0.187 0.000 0.832 146 G HN 0.497 nan 8.290 nan 0.000 0.573 147 F N -1.472 118.605 119.950 0.211 0.000 2.697 147 F HA 0.943 5.470 4.527 -0.000 0.000 0.386 147 F C -0.227 175.693 175.800 0.199 0.000 1.154 147 F CA -1.879 56.232 58.000 0.186 0.000 1.108 147 F CB 1.190 40.305 39.000 0.191 0.000 1.429 147 F HN 0.786 nan 8.300 nan 0.000 0.509 148 L N 1.237 122.653 121.223 0.323 0.000 2.362 148 L HA 0.741 5.081 4.340 -0.000 0.000 0.275 148 L C -1.479 175.531 176.870 0.233 0.000 0.998 148 L CA -0.741 54.194 54.840 0.158 0.000 0.820 148 L CB 1.929 44.060 42.059 0.120 0.000 1.270 148 L HN 0.557 nan 8.230 nan 0.000 0.415 149 V N 4.066 124.032 119.914 0.087 0.000 2.347 149 V HA 0.408 4.528 4.120 -0.000 0.000 0.280 149 V C -0.901 175.133 176.094 -0.100 0.000 1.021 149 V CA -0.468 61.855 62.300 0.038 0.000 0.847 149 V CB 1.357 33.140 31.823 -0.067 0.000 0.990 149 V HN 0.742 nan 8.190 nan 0.000 0.444 150 D N 3.872 124.272 120.400 0.001 0.000 2.381 150 D HA 0.416 5.055 4.640 -0.000 0.000 0.235 150 D C -0.014 176.433 176.300 0.245 0.000 1.068 150 D CA -0.400 53.622 54.000 0.037 0.000 0.832 150 D CB 1.207 42.041 40.800 0.057 0.000 1.101 150 D HN 0.267 nan 8.370 nan 0.000 0.515 151 F N 2.199 122.172 119.950 0.039 0.000 2.678 151 F HA 0.225 4.752 4.527 -0.000 0.000 0.305 151 F C 1.934 177.761 175.800 0.045 0.000 1.090 151 F CA -0.171 57.855 58.000 0.044 0.000 1.272 151 F CB -0.024 39.007 39.000 0.051 0.000 1.060 151 F HN 0.341 nan 8.300 nan 0.000 0.576 152 K N 0.142 120.669 120.400 0.212 0.000 2.211 152 K HA -0.151 4.168 4.320 -0.000 0.000 0.204 152 K C 0.592 177.254 176.600 0.102 0.000 1.047 152 K CA 1.481 57.847 56.287 0.132 0.000 0.935 152 K CB -0.034 32.517 32.500 0.084 0.000 0.728 152 K HN 0.139 nan 8.250 nan 0.000 0.452 153 D N 0.152 120.614 120.400 0.102 0.000 2.349 153 D HA 0.001 4.641 4.640 -0.000 0.000 0.214 153 D C 0.261 176.595 176.300 0.056 0.000 1.063 153 D CA 0.243 54.283 54.000 0.067 0.000 0.847 153 D CB 0.444 41.284 40.800 0.066 0.000 0.933 153 D HN -0.069 nan 8.370 nan 0.000 0.513 154 S N 0.275 116.026 115.700 0.084 0.000 2.565 154 S HA 0.204 4.674 4.470 -0.000 0.000 0.274 154 S C 1.042 175.663 174.600 0.035 0.000 1.309 154 S CA -0.434 57.807 58.200 0.069 0.000 1.043 154 S CB 0.980 64.213 63.200 0.055 0.000 0.939 154 S HN 0.015 nan 8.310 nan 0.000 0.504 155 R N 1.713 122.209 120.500 -0.006 0.000 2.393 155 R HA 0.198 4.538 4.340 -0.000 0.000 0.244 155 R C -0.540 175.868 176.300 0.180 0.000 0.920 155 R CA -0.200 55.867 56.100 -0.056 0.000 1.076 155 R CB 0.176 30.241 30.300 -0.391 0.000 1.119 155 R HN 0.514 nan 8.270 nan 0.000 0.524 156 D N 1.164 121.741 120.400 0.294 0.000 2.274 156 D HA 0.103 4.742 4.640 -0.000 0.000 0.239 156 D C 0.321 176.684 176.300 0.105 0.000 1.104 156 D CA -0.052 54.135 54.000 0.311 0.000 0.840 156 D CB 1.293 42.265 40.800 0.286 0.000 1.100 156 D HN -0.089 nan 8.370 nan 0.000 0.477 157 K N 2.090 122.549 120.400 0.099 0.000 2.356 157 K HA 0.120 4.440 4.320 -0.000 0.000 0.195 157 K C 0.063 176.687 176.600 0.040 0.000 1.037 157 K CA 0.051 56.375 56.287 0.062 0.000 1.014 157 K CB 0.441 32.989 32.500 0.081 0.000 0.815 157 K HN 0.260 nan 8.250 nan 0.000 0.507 158 N N 1.921 120.648 118.700 0.045 0.000 2.949 158 N HA 0.210 4.949 4.740 -0.000 0.000 0.243 158 N C -1.056 174.475 175.510 0.034 0.000 1.113 158 N CA 0.165 53.298 53.050 0.139 0.000 0.980 158 N CB 0.710 39.259 38.487 0.103 0.000 1.256 158 N HN 0.042 nan 8.380 nan 0.000 0.508 159 L N 0.729 121.967 121.223 0.026 0.000 2.408 159 L HA 0.788 5.128 4.340 -0.000 0.000 0.268 159 L C -0.402 176.466 176.870 -0.004 0.000 0.986 159 L CA -0.885 53.865 54.840 -0.149 0.000 0.820 159 L CB 2.065 43.783 42.059 -0.568 0.000 1.303 159 L HN 0.222 nan 8.230 nan 0.000 0.411 160 A N 2.227 125.029 122.820 -0.028 0.000 2.401 160 A HA 0.712 5.031 4.320 -0.000 0.000 0.310 160 A C 0.321 177.978 177.584 0.122 0.000 1.075 160 A CA -0.482 51.615 52.037 0.099 0.000 0.746 160 A CB 1.827 20.815 19.000 -0.021 0.000 1.277 160 A HN 0.434 nan 8.150 nan 0.000 0.425 161 V N 0.157 120.205 119.914 0.224 0.000 2.331 161 V HA 0.100 4.219 4.120 -0.000 0.000 0.242 161 V C 0.094 176.097 176.094 -0.151 0.000 1.034 161 V CA 1.452 63.798 62.300 0.077 0.000 1.027 161 V CB -0.620 31.343 31.823 0.232 0.000 0.667 161 V HN 0.650 nan 8.190 nan 0.000 0.457 162 F N -0.265 119.778 119.950 0.154 0.000 2.540 162 F HA 0.582 5.108 4.527 -0.000 0.000 0.317 162 F C -0.087 175.763 175.800 0.083 0.000 1.104 162 F CA -0.798 57.285 58.000 0.138 0.000 0.913 162 F CB 1.820 40.917 39.000 0.162 0.000 1.170 162 F HN -0.207 nan 8.300 nan 0.000 0.450 163 K N 4.991 125.525 120.400 0.223 0.000 2.450 163 K HA 0.629 4.948 4.320 -0.000 0.000 0.257 163 K C -1.694 174.971 176.600 0.108 0.000 0.953 163 K CA -0.407 55.956 56.287 0.126 0.000 0.844 163 K CB 0.935 33.445 32.500 0.018 0.000 1.103 163 K HN 0.676 nan 8.250 nan 0.000 0.429 164 L N 3.384 124.670 121.223 0.104 0.000 2.322 164 L HA 0.580 4.920 4.340 -0.000 0.000 0.279 164 L C 0.701 177.597 176.870 0.042 0.000 1.036 164 L CA -0.585 54.264 54.840 0.015 0.000 0.807 164 L CB 1.708 43.745 42.059 -0.037 0.000 1.226 164 L HN 0.922 nan 8.230 nan 0.000 0.433 165 G N 0.302 109.099 108.800 -0.004 0.000 3.259 165 G HA2 0.039 3.998 3.960 -0.000 0.000 0.193 165 G HA3 0.039 3.998 3.960 -0.000 0.000 0.193 165 G C -0.811 174.112 174.900 0.040 0.000 1.457 165 G CA -0.082 45.046 45.100 0.047 0.000 0.771 165 G HN 0.486 nan 8.290 nan 0.000 0.765 166 D N 1.127 121.523 120.400 -0.007 0.000 2.551 166 D HA 0.353 4.993 4.640 -0.000 0.000 0.223 166 D C -0.683 175.573 176.300 -0.074 0.000 1.144 166 D CA 0.083 54.056 54.000 -0.044 0.000 1.025 166 D CB 0.238 40.965 40.800 -0.122 0.000 1.085 166 D HN 0.131 nan 8.370 nan 0.000 0.506 167 V N 3.938 123.818 119.914 -0.057 0.000 2.709 167 V HA 0.622 4.742 4.120 -0.000 0.000 0.308 167 V C -1.135 175.017 176.094 0.097 0.000 1.062 167 V CA -0.736 61.525 62.300 -0.064 0.000 0.901 167 V CB 1.865 33.530 31.823 -0.263 0.000 1.003 167 V HN 0.330 nan 8.190 nan 0.000 0.425 168 R N 4.248 124.857 120.500 0.181 0.000 2.744 168 R HA 0.515 4.855 4.340 -0.000 0.000 0.279 168 R C -0.635 175.868 176.300 0.338 0.000 0.977 168 R CA -0.865 55.403 56.100 0.279 0.000 0.906 168 R CB 1.429 31.815 30.300 0.142 0.000 1.197 168 R HN 0.890 nan 8.270 nan 0.000 0.463 169 N N 1.397 120.305 118.700 0.348 0.000 2.621 169 N HA -0.221 4.519 4.740 -0.000 0.000 0.269 169 N C -1.824 174.031 175.510 0.575 0.000 1.154 169 N CA 0.833 54.086 53.050 0.337 0.000 0.696 169 N CB -0.783 37.819 38.487 0.192 0.000 0.878 169 N HN 0.569 nan 8.380 nan 0.000 0.550 170 Y N -0.852 119.676 120.300 0.380 0.000 2.609 170 Y HA 0.801 5.351 4.550 -0.000 0.000 0.342 170 Y C -0.432 175.345 175.900 -0.205 0.000 1.058 170 Y CA -1.313 56.910 58.100 0.205 0.000 1.055 170 Y CB 1.418 40.016 38.460 0.230 0.000 1.292 170 Y HN 0.230 nan 8.280 nan 0.000 0.476 171 K N 2.639 122.838 120.400 -0.334 0.000 2.553 171 K HA 0.634 4.954 4.320 -0.000 0.000 0.250 171 K C -2.273 174.208 176.600 -0.197 0.000 0.953 171 K CA -0.513 55.460 56.287 -0.523 0.000 0.800 171 K CB 1.632 33.486 32.500 -1.077 0.000 1.243 171 K HN 0.898 nan 8.250 nan 0.000 0.435 172 I N 2.595 123.108 120.570 -0.095 0.000 2.418 172 I HA 0.335 4.505 4.170 -0.000 0.000 0.287 172 I C -0.645 175.491 176.117 0.032 0.000 1.008 172 I CA -0.556 60.735 61.300 -0.014 0.000 1.104 172 I CB 2.028 39.922 38.000 -0.176 0.000 1.264 172 I HN 0.592 nan 8.210 nan 0.000 0.438 173 S N 4.805 120.620 115.700 0.192 0.000 2.565 173 S HA 0.486 4.956 4.470 -0.000 0.000 0.269 173 S C -0.677 174.062 174.600 0.232 0.000 1.153 173 S CA -0.524 57.737 58.200 0.102 0.000 0.835 173 S CB 1.423 64.640 63.200 0.028 0.000 1.122 173 S HN 0.699 nan 8.310 nan 0.000 0.462 174 N N 0.854 119.559 118.700 0.009 0.000 2.648 174 N HA -0.131 4.609 4.740 -0.000 0.000 0.265 174 N C -0.958 174.581 175.510 0.048 0.000 1.100 174 N CA 1.684 54.753 53.050 0.032 0.000 0.715 174 N CB -1.882 36.689 38.487 0.139 0.000 0.881 174 N HN 0.852 nan 8.380 nan 0.000 0.548 175 F N -2.684 117.108 119.950 -0.262 0.000 2.741 175 F HA 0.663 5.190 4.527 -0.000 0.000 0.311 175 F C -0.368 175.235 175.800 -0.328 0.000 1.149 175 F CA -0.996 56.663 58.000 -0.568 0.000 0.930 175 F CB 0.855 39.056 39.000 -1.331 0.000 1.312 175 F HN -0.094 nan 8.300 nan 0.000 0.450 176 T N 2.431 116.932 114.554 -0.089 0.000 2.855 176 T HA 0.692 5.042 4.350 -0.000 0.000 0.281 176 T C -0.603 174.093 174.700 -0.006 0.000 1.007 176 T CA -0.473 61.579 62.100 -0.080 0.000 1.009 176 T CB 1.453 70.279 68.868 -0.070 0.000 0.983 176 T HN 0.554 nan 8.240 nan 0.000 0.455 177 I N 2.590 123.126 120.570 -0.057 0.000 2.382 177 I HA 0.276 4.446 4.170 -0.000 0.000 0.285 177 I C -0.565 175.452 176.117 -0.167 0.000 1.007 177 I CA -0.769 60.453 61.300 -0.130 0.000 1.142 177 I CB 1.406 39.327 38.000 -0.133 0.000 1.289 177 I HN 0.448 nan 8.210 nan 0.000 0.453 178 D N 5.592 125.888 120.400 -0.173 0.000 2.468 178 D HA 0.148 4.788 4.640 -0.000 0.000 0.218 178 D C -0.097 176.147 176.300 -0.093 0.000 1.155 178 D CA 0.047 53.987 54.000 -0.099 0.000 0.924 178 D CB 0.531 41.306 40.800 -0.041 0.000 1.029 178 D HN 0.358 nan 8.370 nan 0.000 0.515 179 D N 0.637 121.003 120.400 -0.058 0.000 2.411 179 D HA 0.131 4.771 4.640 -0.000 0.000 0.251 179 D C 0.018 176.392 176.300 0.124 0.000 1.201 179 D CA -0.313 53.737 54.000 0.083 0.000 0.996 179 D CB 0.798 41.643 40.800 0.076 0.000 1.101 179 D HN 0.092 nan 8.370 nan 0.000 0.504 180 N N 0.551 119.363 118.700 0.187 0.000 2.646 180 N HA 0.064 4.804 4.740 -0.000 0.000 0.296 180 N C -1.151 174.438 175.510 0.132 0.000 1.886 180 N CA -0.305 52.826 53.050 0.134 0.000 0.855 180 N CB -0.299 38.280 38.487 0.153 0.000 1.336 180 N HN 0.358 nan 8.380 nan 0.000 0.496 181 K N -0.093 120.366 120.400 0.097 0.000 3.148 181 K HA -0.175 4.145 4.320 -0.000 0.000 0.267 181 K C -0.276 176.409 176.600 0.142 0.000 0.996 181 K CA 1.156 57.500 56.287 0.096 0.000 0.737 181 K CB -2.259 30.301 32.500 0.100 0.000 1.308 181 K HN 0.682 nan 8.250 nan 0.000 0.470 182 T N -2.075 112.561 114.554 0.137 0.000 2.828 182 T HA 0.420 4.769 4.350 -0.000 0.000 0.290 182 T C 0.893 175.571 174.700 -0.037 0.000 1.019 182 T CA -1.060 61.093 62.100 0.089 0.000 1.031 182 T CB 1.111 70.038 68.868 0.098 0.000 1.001 182 T HN 0.089 nan 8.240 nan 0.000 0.531 183 I N 1.522 121.999 120.570 -0.155 0.000 2.720 183 I HA 0.356 4.526 4.170 -0.000 0.000 0.287 183 I C 0.123 175.794 176.117 -0.743 0.000 1.090 183 I CA -0.233 60.675 61.300 -0.654 0.000 1.384 183 I CB -0.778 36.876 38.000 -0.576 0.000 1.420 183 I HN 0.820 nan 8.210 nan 0.000 0.575 184 F N 0.672 119.701 119.950 -1.535 0.000 2.149 184 F HA -0.074 4.453 4.527 -0.001 0.000 0.497 184 F C 0.469 176.132 175.800 -0.227 0.000 1.282 184 F CA -0.030 57.554 58.000 -0.693 0.000 1.585 184 F CB -1.266 37.583 39.000 -0.252 0.000 2.847 184 F HN 0.670 nan 8.300 nan 0.000 0.683 185 A N 2.454 125.461 122.820 0.311 0.000 2.406 185 A HA 0.525 4.844 4.320 -0.000 0.000 0.243 185 A C 1.160 178.898 177.584 0.257 0.000 1.082 185 A CA 0.338 52.546 52.037 0.285 0.000 0.786 185 A CB 0.345 19.499 19.000 0.256 0.000 1.029 185 A HN 0.937 nan 8.150 nan 0.000 0.495 186 S N 0.037 115.875 115.700 0.230 0.000 2.383 186 S HA 0.025 4.495 4.470 -0.000 0.000 0.227 186 S C 0.585 175.363 174.600 0.296 0.000 1.026 186 S CA 1.036 59.393 58.200 0.262 0.000 0.981 186 S CB -0.278 63.056 63.200 0.223 0.000 0.818 186 S HN 0.557 nan 8.310 nan 0.000 0.472 187 I N 2.057 122.789 120.570 0.270 0.000 2.411 187 I HA 0.304 4.474 4.170 -0.000 0.000 0.284 187 I C -1.233 175.038 176.117 0.255 0.000 1.012 187 I CA -0.356 61.125 61.300 0.302 0.000 1.119 187 I CB 1.602 39.774 38.000 0.287 0.000 1.261 187 I HN -0.011 nan 8.210 nan 0.000 0.448 188 L N 7.126 128.510 121.223 0.268 0.000 2.259 188 L HA 0.351 4.691 4.340 -0.000 0.000 0.288 188 L C -0.035 177.006 176.870 0.285 0.000 1.051 188 L CA -0.704 54.314 54.840 0.296 0.000 0.824 188 L CB 1.211 43.436 42.059 0.277 0.000 1.206 188 L HN 0.334 nan 8.230 nan 0.000 0.429 189 V N 2.357 122.444 119.914 0.289 0.000 2.153 189 V HA 0.128 4.247 4.120 -0.000 0.000 0.250 189 V C 0.285 176.588 176.094 0.348 0.000 1.334 189 V CA -0.058 62.416 62.300 0.291 0.000 1.249 189 V CB 0.018 32.033 31.823 0.321 0.000 1.371 189 V HN 0.646 nan 8.190 nan 0.000 0.498 190 D N 1.562 122.155 120.400 0.321 0.000 2.529 190 D HA 0.596 5.236 4.640 -0.000 0.000 0.273 190 D C -0.203 176.233 176.300 0.227 0.000 1.197 190 D CA -0.126 54.045 54.000 0.285 0.000 1.070 190 D CB 2.471 43.348 40.800 0.129 0.000 1.134 190 D HN 0.349 nan 8.370 nan 0.000 0.590 191 V N -2.202 117.794 119.914 0.137 0.000 2.881 191 V HA 0.823 4.942 4.120 -0.000 0.000 0.316 191 V C -0.176 175.967 176.094 0.081 0.000 1.070 191 V CA -0.445 61.967 62.300 0.185 0.000 0.976 191 V CB 1.612 33.514 31.823 0.133 0.000 1.038 191 V HN 0.506 nan 8.190 nan 0.000 0.446 192 T N 1.327 115.936 114.554 0.093 0.000 2.916 192 T HA 0.398 4.747 4.350 -0.000 0.000 0.305 192 T C -1.038 173.662 174.700 0.000 0.000 1.119 192 T CA -0.416 61.701 62.100 0.028 0.000 1.008 192 T CB 1.764 70.654 68.868 0.038 0.000 1.129 192 T HN 1.129 nan 8.240 nan 0.000 0.480 193 E N 2.778 122.946 120.200 -0.053 0.000 2.227 193 E HA 0.543 4.893 4.350 -0.000 0.000 0.282 193 E C -0.566 176.049 176.600 0.025 0.000 1.015 193 E CA -0.619 55.725 56.400 -0.092 0.000 0.823 193 E CB 0.744 30.371 29.700 -0.121 0.000 1.081 193 E HN 0.516 nan 8.360 nan 0.000 0.396 194 R N 3.806 124.360 120.500 0.090 0.000 2.522 194 R HA 0.144 4.484 4.340 -0.000 0.000 0.273 194 R C -0.949 175.437 176.300 0.142 0.000 1.133 194 R CA -0.223 55.946 56.100 0.116 0.000 0.969 194 R CB 0.571 30.932 30.300 0.101 0.000 1.235 194 R HN 0.936 nan 8.270 nan 0.000 0.433 195 N N 2.505 121.258 118.700 0.089 0.000 2.740 195 N HA -0.247 4.492 4.740 -0.000 0.000 0.248 195 N C 0.475 176.043 175.510 0.097 0.000 1.062 195 N CA 0.733 53.834 53.050 0.085 0.000 0.704 195 N CB -0.610 37.928 38.487 0.084 0.000 0.968 195 N HN 1.066 nan 8.380 nan 0.000 0.547 196 G N -0.393 108.475 108.800 0.114 0.000 2.176 196 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.253 196 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.253 196 G C 0.096 175.134 174.900 0.231 0.000 0.979 196 G CA 0.881 46.080 45.100 0.165 0.000 0.641 196 G HN 0.838 nan 8.290 nan 0.000 0.530 197 R N -1.155 119.389 120.500 0.074 0.000 2.831 197 R HA 0.852 5.192 4.340 -0.000 0.000 0.266 197 R C -0.560 175.519 176.300 -0.369 0.000 1.051 197 R CA -1.249 54.807 56.100 -0.073 0.000 0.943 197 R CB 0.909 31.141 30.300 -0.114 0.000 1.228 197 R HN 0.148 nan 8.270 nan 0.000 0.467 198 L N 1.242 122.217 121.223 -0.413 0.000 2.343 198 L HA 0.527 4.867 4.340 -0.000 0.000 0.275 198 L C -0.172 176.443 176.870 -0.426 0.000 1.056 198 L CA -0.881 53.775 54.840 -0.307 0.000 0.804 198 L CB 1.227 43.237 42.059 -0.082 0.000 1.203 198 L HN 0.556 nan 8.230 nan 0.000 0.440 199 H N 0.746 119.826 119.070 0.016 0.000 2.821 199 H HA 0.456 5.011 4.556 -0.000 0.000 0.373 199 H C -1.279 174.107 175.328 0.096 0.000 1.165 199 H CA -0.582 55.359 56.048 -0.179 0.000 1.154 199 H CB 2.349 32.010 29.762 -0.169 0.000 1.765 199 H HN 0.697 nan 8.280 nan 0.000 0.549 200 W N -0.031 121.348 121.300 0.131 0.000 2.961 200 W HA 0.530 5.190 4.660 -0.000 0.000 0.368 200 W C -0.760 175.828 176.519 0.116 0.000 1.213 200 W CA -1.100 56.306 57.345 0.103 0.000 1.173 200 W CB 0.021 29.541 29.460 0.100 0.000 1.487 200 W HN 0.532 nan 8.180 nan 0.000 0.585 201 S N 1.452 117.401 115.700 0.414 0.000 2.617 201 S HA 0.731 5.200 4.470 -0.000 0.000 0.269 201 S C -0.372 174.470 174.600 0.403 0.000 1.292 201 S CA -0.668 57.728 58.200 0.328 0.000 1.010 201 S CB 1.632 65.014 63.200 0.304 0.000 0.944 201 S HN 0.795 nan 8.310 nan 0.000 0.536 202 R N 1.129 121.839 120.500 0.351 0.000 2.604 202 R HA 0.296 4.636 4.340 -0.000 0.000 0.270 202 R C -1.458 174.989 176.300 0.245 0.000 1.052 202 R CA -0.471 55.795 56.100 0.276 0.000 0.902 202 R CB 0.698 31.099 30.300 0.167 0.000 1.233 202 R HN 0.881 nan 8.270 nan 0.000 0.455 203 N N 0.663 119.465 118.700 0.169 0.000 2.522 203 N HA -0.136 4.604 4.740 -0.000 0.000 0.281 203 N C -1.061 174.413 175.510 -0.061 0.000 1.267 203 N CA 1.505 54.619 53.050 0.108 0.000 0.675 203 N CB -0.778 37.770 38.487 0.101 0.000 0.890 203 N HN 0.896 nan 8.380 nan 0.000 0.542 204 G N -0.253 108.374 108.800 -0.288 0.000 2.677 204 G HA2 0.772 4.732 3.960 -0.000 0.000 0.291 204 G HA3 0.772 4.732 3.960 -0.000 0.000 0.291 204 G C -0.949 173.546 174.900 -0.674 0.000 1.435 204 G CA -0.784 43.760 45.100 -0.927 0.000 0.826 204 G HN 0.228 nan 8.290 nan 0.000 0.491 205 I N 0.588 120.757 120.570 -0.668 0.000 2.499 205 I HA 0.447 4.617 4.170 -0.000 0.000 0.288 205 I C -0.849 175.018 176.117 -0.417 0.000 1.048 205 I CA -0.649 60.338 61.300 -0.522 0.000 1.062 205 I CB 2.286 40.080 38.000 -0.342 0.000 1.238 205 I HN 0.196 nan 8.210 nan 0.000 0.426 206 I N 6.521 126.863 120.570 -0.379 0.000 2.411 206 I HA 0.355 4.525 4.170 -0.000 0.000 0.284 206 I C -0.558 175.487 176.117 -0.120 0.000 1.012 206 I CA -0.234 60.962 61.300 -0.173 0.000 1.119 206 I CB 1.542 39.511 38.000 -0.051 0.000 1.261 206 I HN 0.676 nan 8.210 nan 0.000 0.448 207 E N 5.158 125.289 120.200 -0.115 0.000 2.449 207 E HA 0.618 4.968 4.350 -0.000 0.000 0.278 207 E C -0.909 175.612 176.600 -0.132 0.000 0.992 207 E CA -1.217 55.123 56.400 -0.100 0.000 0.807 207 E CB 1.245 30.889 29.700 -0.094 0.000 1.350 207 E HN 0.371 nan 8.360 nan 0.000 0.462 208 R N 0.271 120.705 120.500 -0.110 0.000 3.146 208 R HA -0.154 4.186 4.340 -0.000 0.000 0.250 208 R C -0.894 175.252 176.300 -0.257 0.000 0.912 208 R CA 0.739 56.763 56.100 -0.128 0.000 0.633 208 R CB -1.983 28.268 30.300 -0.082 0.000 1.180 208 R HN 0.498 nan 8.270 nan 0.000 0.464 209 I N 0.335 120.739 120.570 -0.277 0.000 2.582 209 I HA 0.354 4.523 4.170 -0.000 0.000 0.292 209 I C -0.281 175.694 176.117 -0.236 0.000 1.066 209 I CA -1.099 59.939 61.300 -0.437 0.000 1.053 209 I CB 2.224 39.874 38.000 -0.583 0.000 1.241 209 I HN -0.042 nan 8.210 nan 0.000 0.421 210 K N 5.323 125.584 120.400 -0.232 0.000 2.345 210 K HA 0.479 4.798 4.320 -0.000 0.000 0.255 210 K C -1.253 175.241 176.600 -0.177 0.000 0.934 210 K CA -0.491 55.692 56.287 -0.174 0.000 0.801 210 K CB 1.822 34.224 32.500 -0.164 0.000 1.137 210 K HN 0.581 nan 8.250 nan 0.000 0.424 211 Q N 3.510 123.208 119.800 -0.171 0.000 2.331 211 Q HA 0.441 4.780 4.340 -0.000 0.000 0.267 211 Q C -1.088 174.818 176.000 -0.157 0.000 1.006 211 Q CA -0.760 54.964 55.803 -0.132 0.000 0.818 211 Q CB 1.115 29.809 28.738 -0.073 0.000 1.276 211 Q HN 0.662 nan 8.270 nan 0.000 0.450 212 N N 2.866 121.488 118.700 -0.129 0.000 2.417 212 N HA 0.200 4.940 4.740 -0.000 0.000 0.300 212 N C -0.781 174.682 175.510 -0.080 0.000 1.102 212 N CA -0.393 52.586 53.050 -0.119 0.000 0.886 212 N CB 1.251 39.676 38.487 -0.103 0.000 1.203 212 N HN 0.792 nan 8.380 nan 0.000 0.496 213 N N -0.045 118.604 118.700 -0.084 0.000 2.696 213 N HA -0.219 4.521 4.740 -0.000 0.000 0.256 213 N C -1.211 174.265 175.510 -0.058 0.000 1.031 213 N CA 0.465 53.466 53.050 -0.082 0.000 0.730 213 N CB -0.794 37.655 38.487 -0.063 0.000 0.894 213 N HN 0.680 nan 8.380 nan 0.000 0.544 214 A N 0.478 123.265 122.820 -0.055 0.000 2.302 214 A HA 0.584 4.904 4.320 -0.000 0.000 0.285 214 A C 0.345 177.901 177.584 -0.046 0.000 1.105 214 A CA -0.592 51.437 52.037 -0.014 0.000 0.816 214 A CB 0.658 19.661 19.000 0.004 0.000 1.067 214 A HN 0.521 nan 8.150 nan 0.000 0.489 215 L N 2.494 123.712 121.223 -0.007 0.000 2.397 215 L HA 0.353 4.693 4.340 -0.000 0.000 0.271 215 L C 1.079 177.857 176.870 -0.154 0.000 1.148 215 L CA -0.052 54.742 54.840 -0.077 0.000 0.825 215 L CB 0.116 42.164 42.059 -0.019 0.000 1.117 215 L HN 0.791 nan 8.230 nan 0.000 0.456 216 F N 2.206 122.029 119.950 -0.212 0.000 2.154 216 F HA -0.011 4.515 4.527 -0.001 0.000 0.301 216 F C 1.642 177.298 175.800 -0.239 0.000 1.087 216 F CA 1.262 59.136 58.000 -0.211 0.000 1.274 216 F CB -1.358 37.503 39.000 -0.232 0.000 1.009 216 F HN 0.500 nan 8.300 nan 0.000 0.485 217 G N -1.901 106.145 108.800 -1.257 0.000 2.848 217 G HA2 0.103 4.063 3.960 -0.000 0.000 0.208 217 G HA3 0.103 4.063 3.960 -0.000 0.000 0.208 217 G C 0.082 174.268 174.900 -1.190 0.000 1.152 217 G CA 0.665 45.081 45.100 -1.139 0.000 0.789 217 G HN 0.494 nan 8.290 nan 0.000 0.531 218 Y N -1.154 119.006 120.300 -0.234 0.000 3.171 218 Y HA 0.651 5.201 4.550 -0.001 0.000 0.271 218 Y C 1.133 176.994 175.900 -0.065 0.000 1.865 218 Y CA -0.061 57.975 58.100 -0.107 0.000 0.855 218 Y CB 0.316 38.733 38.460 -0.072 0.000 1.298 218 Y HN 0.283 nan 8.280 nan 0.000 0.635 219 G N -0.501 108.404 108.800 0.175 0.000 2.260 219 G HA2 0.009 3.969 3.960 -0.000 0.000 0.250 219 G HA3 0.009 3.969 3.960 -0.000 0.000 0.250 219 G C -0.635 174.316 174.900 0.085 0.000 1.340 219 G CA -0.211 44.934 45.100 0.075 0.000 1.056 219 G HN 0.486 nan 8.290 nan 0.000 0.471 220 L N 0.101 121.345 121.223 0.036 0.000 2.034 220 L HA 0.508 4.848 4.340 -0.000 0.000 0.203 220 L C 1.008 177.912 176.870 0.055 0.000 1.074 220 L CA 1.404 56.268 54.840 0.040 0.000 0.748 220 L CB -0.338 41.720 42.059 -0.002 0.000 0.905 220 L HN 0.520 nan 8.230 nan 0.000 0.439 221 I N 0.287 120.848 120.570 -0.015 0.000 2.569 221 I HA 0.389 4.558 4.170 -0.000 0.000 0.296 221 I C -0.544 175.513 176.117 -0.100 0.000 1.028 221 I CA -0.333 60.941 61.300 -0.042 0.000 1.082 221 I CB 1.384 39.267 38.000 -0.196 0.000 1.264 221 I HN 0.251 nan 8.210 nan 0.000 0.429 222 Q N 3.736 123.494 119.800 -0.070 0.000 2.304 222 Q HA 0.523 4.863 4.340 -0.000 0.000 0.270 222 Q C -0.977 174.825 176.000 -0.331 0.000 1.035 222 Q CA -0.535 55.139 55.803 -0.214 0.000 0.781 222 Q CB 2.084 30.739 28.738 -0.138 0.000 1.261 222 Q HN 0.815 nan 8.270 nan 0.000 0.444 223 T N 0.946 115.236 114.554 -0.440 0.000 2.794 223 T HA 0.464 4.813 4.350 -0.000 0.000 0.280 223 T C -0.355 174.042 174.700 -0.505 0.000 0.987 223 T CA -0.225 61.690 62.100 -0.310 0.000 0.993 223 T CB 0.748 69.535 68.868 -0.134 0.000 0.939 223 T HN 0.629 nan 8.240 nan 0.000 0.449 224 Y N 2.220 122.509 120.300 -0.019 0.000 2.678 224 Y HA 0.551 5.101 4.550 -0.000 0.000 0.274 224 Y C 1.564 177.337 175.900 -0.210 0.000 1.114 224 Y CA -0.145 57.898 58.100 -0.096 0.000 1.274 224 Y CB 0.348 38.779 38.460 -0.049 0.000 1.438 224 Y HN 0.933 nan 8.280 nan 0.000 0.493 225 G N 0.055 108.834 108.800 -0.036 0.000 2.666 225 G HA2 0.703 4.662 3.960 -0.000 0.000 0.303 225 G HA3 0.703 4.662 3.960 -0.000 0.000 0.303 225 G C -1.519 173.292 174.900 -0.150 0.000 1.412 225 G CA -0.186 44.624 45.100 -0.484 0.000 0.979 225 G HN 0.334 nan 8.290 nan 0.000 0.507 226 A N 2.335 125.082 122.820 -0.122 0.000 2.594 226 A HA 0.752 5.072 4.320 -0.000 0.000 0.296 226 A C -1.923 175.863 177.584 0.336 0.000 1.056 226 A CA -0.731 51.485 52.037 0.299 0.000 0.693 226 A CB 1.804 20.974 19.000 0.282 0.000 1.278 226 A HN 0.504 nan 8.150 nan 0.000 0.408 227 D N 1.321 121.970 120.400 0.415 0.000 2.863 227 D HA 0.400 5.040 4.640 -0.000 0.000 0.245 227 D C -0.636 175.835 176.300 0.285 0.000 1.211 227 D CA 0.018 54.223 54.000 0.341 0.000 0.888 227 D CB 1.719 42.739 40.800 0.367 0.000 1.483 227 D HN 0.739 nan 8.370 nan 0.000 0.533 228 N N 2.122 120.997 118.700 0.292 0.000 2.641 228 N HA -0.164 4.576 4.740 -0.000 0.000 0.267 228 N C -1.410 174.313 175.510 0.356 0.000 1.087 228 N CA 0.510 53.766 53.050 0.344 0.000 0.731 228 N CB -0.732 37.879 38.487 0.207 0.000 0.886 228 N HN 0.351 nan 8.380 nan 0.000 0.547 229 I N 0.891 121.594 120.570 0.222 0.000 2.569 229 I HA 0.449 4.619 4.170 -0.000 0.000 0.296 229 I C 0.042 175.851 176.117 -0.512 0.000 1.028 229 I CA -0.974 60.215 61.300 -0.184 0.000 1.082 229 I CB 1.460 39.279 38.000 -0.301 0.000 1.264 229 I HN 0.230 nan 8.210 nan 0.000 0.429 230 L N 6.471 127.078 121.223 -1.027 0.000 2.305 230 L HA 0.591 4.931 4.340 -0.000 0.000 0.284 230 L C -1.484 174.891 176.870 -0.825 0.000 1.013 230 L CA 0.087 54.264 54.840 -1.104 0.000 0.819 230 L CB 0.879 41.883 42.059 -1.758 0.000 1.227 230 L HN 0.225 nan 8.230 nan 0.000 0.417 231 F N 5.102 124.902 119.950 -0.250 0.000 2.411 231 F HA 0.679 5.206 4.527 -0.000 0.000 0.352 231 F C 0.262 175.988 175.800 -0.122 0.000 1.123 231 F CA -0.410 57.498 58.000 -0.153 0.000 1.044 231 F CB 1.394 40.334 39.000 -0.100 0.000 1.135 231 F HN 0.454 nan 8.300 nan 0.000 0.461 232 R N 2.558 123.079 120.500 0.036 0.000 2.604 232 R HA 0.352 4.692 4.340 -0.000 0.000 0.281 232 R C -0.752 175.551 176.300 0.006 0.000 1.020 232 R CA -0.715 55.396 56.100 0.019 0.000 0.899 232 R CB 1.163 31.453 30.300 -0.017 0.000 1.205 232 R HN 0.642 nan 8.270 nan 0.000 0.450 233 N N 3.016 121.725 118.700 0.014 0.000 2.671 233 N HA -0.173 4.566 4.740 -0.000 0.000 0.261 233 N C -1.859 173.644 175.510 -0.011 0.000 1.053 233 N CA 0.830 53.879 53.050 -0.001 0.000 0.732 233 N CB -0.592 37.890 38.487 -0.009 0.000 0.887 233 N HN 0.522 nan 8.380 nan 0.000 0.546 234 L N 1.557 122.782 121.223 0.003 0.000 2.341 234 L HA 0.474 4.814 4.340 -0.000 0.000 0.278 234 L C 0.202 177.106 176.870 0.055 0.000 1.005 234 L CA -0.798 54.044 54.840 0.002 0.000 0.818 234 L CB 2.038 44.096 42.059 -0.001 0.000 1.259 234 L HN 0.365 nan 8.230 nan 0.000 0.418 235 H N 1.760 120.786 119.070 -0.072 0.000 2.782 235 H HA 0.435 4.990 4.556 -0.000 0.000 0.347 235 H C -1.534 173.757 175.328 -0.063 0.000 1.038 235 H CA -0.373 55.639 56.048 -0.060 0.000 1.255 235 H CB 2.116 31.846 29.762 -0.053 0.000 1.623 235 H HN 0.551 nan 8.280 nan 0.000 0.525 236 S N 3.808 119.645 115.700 0.228 0.000 2.502 236 S HA 0.129 4.599 4.470 -0.000 0.000 0.304 236 S C -0.867 173.760 174.600 0.043 0.000 1.097 236 S CA -0.832 57.388 58.200 0.033 0.000 1.045 236 S CB 1.539 64.749 63.200 0.018 0.000 1.019 236 S HN 0.789 nan 8.310 nan 0.000 0.481 237 E N 3.421 123.567 120.200 -0.090 0.000 2.046 237 E HA 0.523 4.873 4.350 -0.000 0.000 0.279 237 E C 0.122 176.690 176.600 -0.053 0.000 0.989 237 E CA 0.003 56.363 56.400 -0.066 0.000 0.798 237 E CB 0.223 29.845 29.700 -0.130 0.000 1.086 237 E HN 1.079 nan 8.360 nan 0.000 0.399 238 G N 2.758 111.539 108.800 -0.032 0.000 2.675 238 G HA2 0.189 4.149 3.960 -0.000 0.000 0.686 238 G HA3 0.189 4.149 3.960 -0.000 0.000 0.686 238 G C 0.458 175.346 174.900 -0.019 0.000 1.215 238 G CA -0.647 44.427 45.100 -0.043 0.000 0.777 238 G HN 1.200 nan 8.290 nan 0.000 0.638 239 G N -0.141 108.654 108.800 -0.007 0.000 2.566 239 G HA2 0.035 3.995 3.960 -0.000 0.000 0.280 239 G HA3 0.035 3.995 3.960 -0.000 0.000 0.280 239 G C 0.217 175.106 174.900 -0.019 0.000 1.225 239 G CA 0.648 45.740 45.100 -0.013 0.000 0.966 239 G HN 1.812 nan 8.290 nan 0.000 0.560 240 I N 1.128 121.678 120.570 -0.034 0.000 2.498 240 I HA 0.548 4.718 4.170 -0.000 0.000 0.290 240 I C 1.288 177.370 176.117 -0.059 0.000 1.032 240 I CA -0.292 60.976 61.300 -0.054 0.000 1.073 240 I CB 1.856 39.807 38.000 -0.083 0.000 1.251 240 I HN 0.854 nan 8.210 nan 0.000 0.426 241 A N 5.834 128.617 122.820 -0.062 0.000 1.855 241 A HA -0.007 4.312 4.320 -0.000 0.000 0.215 241 A C 0.774 178.276 177.584 -0.136 0.000 1.191 241 A CA 1.418 53.417 52.037 -0.064 0.000 0.613 241 A CB -0.021 18.955 19.000 -0.041 0.000 0.829 241 A HN 0.500 nan 8.150 nan 0.000 0.442 242 L N 0.003 121.103 121.223 -0.205 0.000 2.384 242 L HA 0.420 4.760 4.340 -0.000 0.000 0.261 242 L C -0.003 176.655 176.870 -0.353 0.000 1.024 242 L CA -0.383 54.252 54.840 -0.343 0.000 0.899 242 L CB 0.815 42.630 42.059 -0.408 0.000 1.243 242 L HN 0.301 nan 8.230 nan 0.000 0.449 243 R N 5.161 125.482 120.500 -0.299 0.000 2.287 243 R HA 0.368 4.708 4.340 -0.000 0.000 0.327 243 R C -0.591 175.529 176.300 -0.300 0.000 1.109 243 R CA -0.268 55.676 56.100 -0.260 0.000 1.013 243 R CB 0.346 30.544 30.300 -0.170 0.000 1.126 243 R HN 0.675 nan 8.270 nan 0.000 0.503 244 M N 3.740 123.138 119.600 -0.337 0.000 3.561 244 M HA 0.109 4.588 4.480 -0.000 0.000 0.230 244 M C -0.309 175.966 176.300 -0.041 0.000 1.387 244 M CA 0.363 55.526 55.300 -0.229 0.000 1.570 244 M CB 0.432 32.853 32.600 -0.299 0.000 1.057 244 M HN 0.405 nan 8.290 nan 0.000 0.607 245 E N 1.820 121.948 120.200 -0.120 0.000 2.173 245 E HA 0.137 4.487 4.350 -0.000 0.000 0.249 245 E C -0.213 176.270 176.600 -0.195 0.000 0.923 245 E CA -0.349 56.032 56.400 -0.033 0.000 0.754 245 E CB 0.809 30.509 29.700 -0.000 0.000 1.177 245 E HN 0.386 nan 8.360 nan 0.000 0.430 246 T N 1.627 116.077 114.554 -0.173 0.000 3.781 246 T HA 0.123 4.472 4.350 -0.000 0.000 0.286 246 T C -0.075 174.374 174.700 -0.418 0.000 1.277 246 T CA -0.709 61.240 62.100 -0.252 0.000 1.136 246 T CB -0.092 68.594 68.868 -0.302 0.000 1.202 246 T HN 0.391 nan 8.240 nan 0.000 0.884 247 D N 0.031 120.271 120.400 -0.267 0.000 2.571 247 D HA 0.073 4.713 4.640 -0.000 0.000 0.239 247 D C 0.130 176.498 176.300 0.113 0.000 1.267 247 D CA -0.669 53.115 54.000 -0.359 0.000 0.823 247 D CB -0.224 40.036 40.800 -0.901 0.000 1.056 247 D HN 0.369 nan 8.370 nan 0.000 0.494 248 N N 1.474 120.290 118.700 0.193 0.000 2.468 248 N HA -0.043 4.697 4.740 -0.000 0.000 0.265 248 N C 1.033 176.643 175.510 0.166 0.000 1.199 248 N CA -0.301 52.767 53.050 0.031 0.000 0.928 248 N CB 1.087 39.426 38.487 -0.247 0.000 1.059 248 N HN 0.129 nan 8.380 nan 0.000 0.467 249 L N 5.597 126.872 121.223 0.086 0.000 2.127 249 L HA -0.117 4.223 4.340 -0.000 0.000 0.211 249 L C 1.971 178.836 176.870 -0.008 0.000 1.089 249 L CA 1.559 56.407 54.840 0.014 0.000 0.757 249 L CB -0.364 41.697 42.059 0.004 0.000 0.899 249 L HN 0.692 nan 8.230 nan 0.000 0.434 250 L N -1.449 119.796 121.223 0.037 0.000 2.079 250 L HA -0.264 4.076 4.340 -0.000 0.000 0.210 250 L C 2.507 179.467 176.870 0.151 0.000 1.081 250 L CA 1.661 56.562 54.840 0.103 0.000 0.752 250 L CB -0.396 41.675 42.059 0.020 0.000 0.896 250 L HN 0.364 nan 8.230 nan 0.000 0.433 251 M N -0.861 118.808 119.600 0.115 0.000 2.229 251 M HA -0.208 4.272 4.480 -0.000 0.000 0.264 251 M C 2.284 178.649 176.300 0.110 0.000 1.063 251 M CA 1.467 56.861 55.300 0.156 0.000 1.114 251 M CB -0.331 32.389 32.600 0.200 0.000 1.387 251 M HN 0.149 nan 8.290 nan 0.000 0.420 252 K N 0.586 120.890 120.400 -0.160 0.000 2.062 252 K HA -0.114 4.205 4.320 -0.000 0.000 0.205 252 K C 1.596 178.001 176.600 -0.324 0.000 1.051 252 K CA 1.221 57.118 56.287 -0.650 0.000 0.941 252 K CB 0.122 31.853 32.500 -1.281 0.000 0.719 252 K HN 0.233 nan 8.250 nan 0.000 0.440 253 N N -0.080 118.504 118.700 -0.192 0.000 2.188 253 N HA -0.136 4.604 4.740 -0.000 0.000 0.184 253 N C 1.346 176.760 175.510 -0.159 0.000 1.018 253 N CA 1.232 54.178 53.050 -0.174 0.000 0.858 253 N CB -0.241 38.161 38.487 -0.140 0.000 0.989 253 N HN 0.269 nan 8.380 nan 0.000 0.426 254 Y N 0.557 120.814 120.300 -0.072 0.000 2.523 254 Y HA 0.185 4.734 4.550 -0.000 0.000 0.279 254 Y C 0.351 176.243 175.900 -0.014 0.000 1.139 254 Y CA 0.062 58.145 58.100 -0.028 0.000 1.296 254 Y CB 0.168 38.630 38.460 0.003 0.000 1.045 254 Y HN -0.131 nan 8.280 nan 0.000 0.538 255 K N 1.157 121.618 120.400 0.102 0.000 3.150 255 K HA -0.255 4.065 4.320 -0.000 0.000 0.267 255 K C -0.728 175.940 176.600 0.113 0.000 1.028 255 K CA 0.540 56.870 56.287 0.072 0.000 0.753 255 K CB -1.617 30.904 32.500 0.034 0.000 1.288 255 K HN 0.465 nan 8.250 nan 0.000 0.473 256 Q N -1.162 118.718 119.800 0.133 0.000 2.416 256 Q HA 0.696 5.036 4.340 -0.000 0.000 0.281 256 Q C 0.275 176.240 176.000 -0.058 0.000 1.067 256 Q CA -0.447 55.433 55.803 0.129 0.000 0.809 256 Q CB 2.717 31.604 28.738 0.248 0.000 1.418 256 Q HN 0.324 nan 8.270 nan 0.000 0.411 257 G N -0.042 108.514 108.800 -0.407 0.000 2.341 257 G HA2 0.353 4.313 3.960 -0.000 0.000 0.196 257 G HA3 0.353 4.313 3.960 -0.000 0.000 0.196 257 G C -0.097 174.344 174.900 -0.764 0.000 1.231 257 G CA -0.182 44.305 45.100 -1.022 0.000 1.155 257 G HN 1.501 nan 8.290 nan 0.000 0.529 258 G N -1.203 107.258 108.800 -0.564 0.000 2.746 258 G HA2 0.437 4.396 3.960 -0.000 0.000 0.685 258 G HA3 0.437 4.396 3.960 -0.000 0.000 0.685 258 G C -0.107 174.579 174.900 -0.357 0.000 1.350 258 G CA 0.242 45.108 45.100 -0.390 0.000 0.837 258 G HN 2.380 nan 8.290 nan 0.000 0.564 259 I N -2.337 118.115 120.570 -0.197 0.000 2.569 259 I HA 0.969 5.138 4.170 -0.000 0.000 0.296 259 I C -0.109 176.032 176.117 0.040 0.000 1.028 259 I CA -1.323 59.956 61.300 -0.035 0.000 1.082 259 I CB 2.175 40.214 38.000 0.065 0.000 1.264 259 I HN 0.744 nan 8.210 nan 0.000 0.429 260 R N 3.304 123.875 120.500 0.118 0.000 2.698 260 R HA 0.442 4.782 4.340 -0.000 0.000 0.275 260 R C -0.899 175.512 176.300 0.185 0.000 1.001 260 R CA -0.995 55.187 56.100 0.138 0.000 0.896 260 R CB 1.750 32.129 30.300 0.131 0.000 1.218 260 R HN 0.901 nan 8.270 nan 0.000 0.462 261 N N 1.189 119.986 118.700 0.162 0.000 2.696 261 N HA -0.180 4.560 4.740 -0.000 0.000 0.256 261 N C -0.910 174.768 175.510 0.281 0.000 1.031 261 N CA 0.245 53.419 53.050 0.207 0.000 0.730 261 N CB -0.595 38.063 38.487 0.285 0.000 0.894 261 N HN 0.284 nan 8.380 nan 0.000 0.544 262 I N 0.886 121.530 120.570 0.123 0.000 2.392 262 I HA 0.453 4.623 4.170 -0.000 0.000 0.295 262 I C 0.343 176.436 176.117 -0.040 0.000 0.985 262 I CA -0.166 61.252 61.300 0.198 0.000 1.221 262 I CB 0.600 38.746 38.000 0.244 0.000 1.366 262 I HN -0.001 nan 8.210 nan 0.000 0.467 263 F N 3.501 123.499 119.950 0.081 0.000 2.551 263 F HA 0.753 5.279 4.527 -0.000 0.000 0.316 263 F C 0.197 175.997 175.800 -0.001 0.000 1.089 263 F CA -0.687 57.315 58.000 0.003 0.000 0.915 263 F CB 2.114 40.976 39.000 -0.231 0.000 1.186 263 F HN 0.499 nan 8.300 nan 0.000 0.456 264 A N 1.970 124.926 122.820 0.227 0.000 2.486 264 A HA 0.703 5.023 4.320 -0.000 0.000 0.300 264 A C -2.012 175.687 177.584 0.191 0.000 1.048 264 A CA -0.553 51.600 52.037 0.193 0.000 0.696 264 A CB 1.868 20.958 19.000 0.150 0.000 1.278 264 A HN 0.679 nan 8.150 nan 0.000 0.405 265 D N 0.850 121.341 120.400 0.151 0.000 2.990 265 D HA 0.455 5.095 4.640 -0.000 0.000 0.227 265 D C -0.457 175.895 176.300 0.087 0.000 1.249 265 D CA 0.204 54.292 54.000 0.146 0.000 0.891 265 D CB 0.958 41.876 40.800 0.196 0.000 1.647 265 D HN 0.653 nan 8.370 nan 0.000 0.530 266 N N 3.367 122.107 118.700 0.066 0.000 2.663 266 N HA -0.134 4.606 4.740 -0.000 0.000 0.263 266 N C -1.497 174.018 175.510 0.008 0.000 1.109 266 N CA 0.398 53.465 53.050 0.029 0.000 0.701 266 N CB -0.814 37.687 38.487 0.024 0.000 0.879 266 N HN 0.407 nan 8.380 nan 0.000 0.550 267 I N 2.104 122.673 120.570 -0.002 0.000 2.354 267 I HA 0.411 4.581 4.170 -0.000 0.000 0.292 267 I C 0.809 176.888 176.117 -0.064 0.000 0.989 267 I CA -0.213 61.071 61.300 -0.028 0.000 1.188 267 I CB 1.433 39.411 38.000 -0.037 0.000 1.342 267 I HN 0.225 nan 8.210 nan 0.000 0.457 268 R N 4.565 125.006 120.500 -0.098 0.000 2.750 268 R HA 0.750 5.090 4.340 -0.000 0.000 0.281 268 R C -0.926 175.290 176.300 -0.140 0.000 0.972 268 R CA -0.637 55.340 56.100 -0.205 0.000 0.912 268 R CB 2.505 32.525 30.300 -0.466 0.000 1.187 268 R HN 0.812 nan 8.270 nan 0.000 0.464 269 c N -0.234 118.292 118.600 -0.123 0.000 2.634 269 c HA 0.887 5.457 4.570 -0.000 0.000 0.313 269 c C -0.299 173.808 174.090 0.028 0.000 1.198 269 c CA -0.817 55.517 56.329 0.008 0.000 1.605 269 c CB 1.476 43.981 42.510 -0.009 0.000 2.196 269 c HN 0.891 nan 8.230 nan 0.000 0.486 270 S N 1.579 117.358 115.700 0.133 0.000 2.575 270 S HA 0.612 5.082 4.470 -0.000 0.000 0.278 270 S C -0.627 173.996 174.600 0.038 0.000 1.139 270 S CA -0.703 57.564 58.200 0.111 0.000 0.954 270 S CB 1.016 64.370 63.200 0.257 0.000 1.054 270 S HN 1.121 nan 8.310 nan 0.000 0.483 271 K N 0.795 121.192 120.400 -0.006 0.000 3.071 271 K HA -0.184 4.135 4.320 -0.000 0.000 0.262 271 K C 0.597 177.180 176.600 -0.029 0.000 0.977 271 K CA 0.972 57.241 56.287 -0.031 0.000 0.721 271 K CB -1.998 30.479 32.500 -0.038 0.000 1.293 271 K HN 1.006 nan 8.250 nan 0.000 0.475 272 G N -0.622 108.169 108.800 -0.016 0.000 3.243 272 G HA2 0.567 4.527 3.960 -0.000 0.000 0.248 272 G HA3 0.567 4.527 3.960 -0.000 0.000 0.248 272 G C 0.587 175.485 174.900 -0.002 0.000 1.267 272 G CA -0.860 44.236 45.100 -0.008 0.000 0.906 272 G HN 0.034 nan 8.290 nan 0.000 0.592 273 L N -0.117 121.108 121.223 0.004 0.000 2.084 273 L HA 0.478 4.818 4.340 -0.000 0.000 0.202 273 L C 1.259 178.123 176.870 -0.009 0.000 1.074 273 L CA 1.402 56.245 54.840 0.004 0.000 0.757 273 L CB -0.160 41.907 42.059 0.013 0.000 0.918 273 L HN 0.656 nan 8.230 nan 0.000 0.444 274 A N -2.177 120.631 122.820 -0.020 0.000 2.586 274 A HA 0.659 4.979 4.320 -0.000 0.000 0.291 274 A C 0.012 177.569 177.584 -0.046 0.000 1.062 274 A CA 0.036 52.054 52.037 -0.031 0.000 0.666 274 A CB 0.581 19.558 19.000 -0.040 0.000 1.281 274 A HN 0.014 nan 8.150 nan 0.000 0.421 275 A N -0.159 122.631 122.820 -0.051 0.000 1.903 275 A HA 0.491 4.810 4.320 -0.000 0.000 0.213 275 A C 0.583 178.101 177.584 -0.110 0.000 1.185 275 A CA 1.706 53.704 52.037 -0.065 0.000 0.628 275 A CB -0.181 18.785 19.000 -0.057 0.000 0.830 275 A HN 1.399 nan 8.150 nan 0.000 0.446 276 V N 0.225 120.064 119.914 -0.124 0.000 2.638 276 V HA 0.550 4.670 4.120 -0.000 0.000 0.306 276 V C -0.537 175.409 176.094 -0.247 0.000 1.052 276 V CA -0.237 61.927 62.300 -0.227 0.000 0.885 276 V CB 1.533 33.241 31.823 -0.192 0.000 0.999 276 V HN 0.572 nan 8.190 nan 0.000 0.424 277 M N 5.127 124.496 119.600 -0.386 0.000 2.386 277 M HA 0.692 5.172 4.480 -0.000 0.000 0.293 277 M C -2.311 173.708 176.300 -0.469 0.000 1.120 277 M CA -0.354 54.781 55.300 -0.276 0.000 0.909 277 M CB 2.162 34.681 32.600 -0.135 0.000 1.661 277 M HN 0.522 nan 8.290 nan 0.000 0.452 278 F N 2.267 122.152 119.950 -0.108 0.000 2.449 278 F HA 0.718 5.245 4.527 -0.000 0.000 0.342 278 F C 0.603 176.475 175.800 0.119 0.000 1.127 278 F CA -0.602 57.303 58.000 -0.157 0.000 0.975 278 F CB 2.284 41.046 39.000 -0.397 0.000 1.146 278 F HN 0.674 nan 8.300 nan 0.000 0.444 279 G N 4.326 113.368 108.800 0.402 0.000 3.025 279 G HA2 0.280 4.240 3.960 -0.000 0.000 0.305 279 G HA3 0.280 4.240 3.960 -0.000 0.000 0.305 279 G C -2.340 172.813 174.900 0.422 0.000 1.568 279 G CA -1.068 44.270 45.100 0.397 0.000 0.916 279 G HN 0.345 nan 8.290 nan 0.000 0.502 280 P HA -0.157 nan 4.420 nan 0.000 0.223 280 P C 1.034 178.256 177.300 -0.131 0.000 1.151 280 P CA 0.886 63.938 63.100 -0.079 0.000 0.787 280 P CB 0.469 31.952 31.700 -0.363 0.000 0.788 281 H N -0.546 118.412 119.070 -0.188 0.000 1.452 281 H HA -0.258 4.297 4.556 -0.000 0.000 0.090 281 H C 1.192 176.207 175.328 -0.521 0.000 0.620 281 H CA 2.118 57.865 56.048 -0.502 0.000 1.901 281 H CB -2.164 27.243 29.762 -0.591 0.000 2.257 281 H HN 0.297 nan 8.280 nan 0.000 0.961 282 F N 0.625 120.468 119.950 -0.179 0.000 2.721 282 F HA 0.420 4.947 4.527 -0.000 0.000 0.301 282 F C 0.885 176.607 175.800 -0.130 0.000 1.096 282 F CA -0.190 57.703 58.000 -0.177 0.000 1.308 282 F CB 0.246 39.140 39.000 -0.177 0.000 1.086 282 F HN 0.082 nan 8.300 nan 0.000 0.587 283 M N 2.724 122.033 119.600 -0.486 0.000 2.216 283 M HA 0.265 4.745 4.480 -0.000 0.000 0.356 283 M C -0.214 175.905 176.300 -0.302 0.000 1.205 283 M CA -0.641 54.471 55.300 -0.314 0.000 1.122 283 M CB 0.896 33.200 32.600 -0.494 0.000 1.571 283 M HN 0.134 nan 8.290 nan 0.000 0.464 284 K N 4.773 125.055 120.400 -0.198 0.000 2.263 284 K HA 0.252 4.572 4.320 -0.000 0.000 0.282 284 K C -0.961 175.471 176.600 -0.279 0.000 1.089 284 K CA -0.299 55.862 56.287 -0.210 0.000 0.907 284 K CB 0.136 32.584 32.500 -0.088 0.000 1.148 284 K HN 0.763 nan 8.250 nan 0.000 0.470 285 N N 1.817 120.233 118.700 -0.473 0.000 2.476 285 N HA 0.264 5.004 4.740 -0.000 0.000 0.276 285 N C 0.264 175.645 175.510 -0.216 0.000 1.204 285 N CA -0.410 52.364 53.050 -0.460 0.000 0.974 285 N CB 1.630 39.529 38.487 -0.981 0.000 1.204 285 N HN 0.685 nan 8.380 nan 0.000 0.543 286 G N -0.441 108.321 108.800 -0.062 0.000 2.773 286 G HA2 0.153 4.113 3.960 -0.000 0.000 0.186 286 G HA3 0.153 4.113 3.960 -0.000 0.000 0.186 286 G C -0.586 174.392 174.900 0.131 0.000 1.411 286 G CA -0.191 44.935 45.100 0.043 0.000 1.054 286 G HN 0.425 nan 8.290 nan 0.000 0.579 287 D N -0.327 120.139 120.400 0.110 0.000 2.304 287 D HA 0.492 5.131 4.640 -0.000 0.000 0.247 287 D C -0.289 176.054 176.300 0.071 0.000 1.089 287 D CA 0.140 54.193 54.000 0.088 0.000 0.910 287 D CB 1.918 42.745 40.800 0.045 0.000 1.199 287 D HN 0.049 nan 8.370 nan 0.000 0.426 288 V N 1.574 121.516 119.914 0.047 0.000 2.733 288 V HA 0.329 4.449 4.120 -0.000 0.000 0.306 288 V C -0.538 175.539 176.094 -0.029 0.000 1.084 288 V CA -0.857 61.461 62.300 0.031 0.000 0.905 288 V CB 2.090 34.058 31.823 0.241 0.000 1.010 288 V HN 0.445 nan 8.190 nan 0.000 0.424 289 Q N 3.000 122.720 119.800 -0.133 0.000 2.321 289 Q HA 0.795 5.135 4.340 -0.000 0.000 0.270 289 Q C -2.110 173.970 176.000 0.135 0.000 1.032 289 Q CA -0.443 55.366 55.803 0.010 0.000 0.784 289 Q CB 2.439 31.146 28.738 -0.051 0.000 1.264 289 Q HN 0.600 nan 8.270 nan 0.000 0.448 290 V N 2.768 122.824 119.914 0.236 0.000 2.656 290 V HA 0.627 4.747 4.120 -0.000 0.000 0.307 290 V C -0.352 175.927 176.094 0.308 0.000 1.051 290 V CA -0.597 61.843 62.300 0.233 0.000 0.893 290 V CB 1.920 33.850 31.823 0.180 0.000 0.999 290 V HN 0.948 nan 8.190 nan 0.000 0.426 291 T N 0.377 115.087 114.554 0.261 0.000 2.876 291 T HA 0.627 4.976 4.350 -0.000 0.000 0.289 291 T C -0.258 174.539 174.700 0.161 0.000 1.014 291 T CA -0.709 61.541 62.100 0.249 0.000 0.986 291 T CB 1.465 70.448 68.868 0.192 0.000 1.021 291 T HN 0.904 nan 8.240 nan 0.000 0.458 292 N N 0.884 119.669 118.700 0.141 0.000 2.522 292 N HA -0.143 4.597 4.740 -0.000 0.000 0.281 292 N C -1.124 174.421 175.510 0.059 0.000 1.267 292 N CA 0.399 53.500 53.050 0.086 0.000 0.675 292 N CB -1.235 37.291 38.487 0.065 0.000 0.890 292 N HN 0.733 nan 8.380 nan 0.000 0.542 293 V N 1.953 121.899 119.914 0.053 0.000 2.459 293 V HA 0.800 4.920 4.120 -0.000 0.000 0.295 293 V C 0.316 176.412 176.094 0.002 0.000 1.029 293 V CA -0.087 62.225 62.300 0.020 0.000 0.874 293 V CB 1.843 33.682 31.823 0.027 0.000 0.985 293 V HN 0.734 nan 8.190 nan 0.000 0.438 294 S N 2.592 118.275 115.700 -0.029 0.000 2.546 294 S HA 0.890 5.360 4.470 -0.000 0.000 0.274 294 S C -0.652 173.912 174.600 -0.060 0.000 1.121 294 S CA -0.562 57.616 58.200 -0.036 0.000 0.887 294 S CB 2.131 65.302 63.200 -0.048 0.000 1.094 294 S HN 1.093 nan 8.310 nan 0.000 0.474 295 S N 0.508 116.191 115.700 -0.028 0.000 2.549 295 S HA 0.820 5.290 4.470 -0.000 0.000 0.280 295 S C -1.293 173.300 174.600 -0.011 0.000 1.109 295 S CA -0.810 57.374 58.200 -0.027 0.000 0.905 295 S CB 1.468 64.669 63.200 0.003 0.000 1.081 295 S HN 1.032 nan 8.310 nan 0.000 0.477 296 V N 2.181 122.079 119.914 -0.026 0.000 2.482 296 V HA 0.676 4.796 4.120 -0.000 0.000 0.295 296 V C 0.484 176.543 176.094 -0.059 0.000 1.026 296 V CA -0.086 62.195 62.300 -0.030 0.000 0.856 296 V CB 0.799 32.610 31.823 -0.019 0.000 1.001 296 V HN 1.431 nan 8.190 nan 0.000 0.424 297 S N 2.605 118.228 115.700 -0.128 0.000 3.706 297 S HA -0.175 4.295 4.470 -0.000 0.000 0.363 297 S C 0.086 174.613 174.600 -0.122 0.000 0.999 297 S CA 0.771 58.849 58.200 -0.203 0.000 1.143 297 S CB -1.054 62.041 63.200 -0.176 0.000 0.902 297 S HN 0.897 nan 8.310 nan 0.000 0.476 298 c N -0.195 118.362 118.600 -0.072 0.000 2.505 298 c HA 0.766 5.336 4.570 -0.000 0.000 0.358 298 c C 2.346 176.431 174.090 -0.009 0.000 1.226 298 c CA -0.322 55.989 56.329 -0.030 0.000 1.900 298 c CB 0.798 43.303 42.510 -0.009 0.000 2.306 298 c HN 0.714 nan 8.230 nan 0.000 0.512 299 G N 0.864 109.665 108.800 0.003 0.000 2.476 299 G HA2 0.114 4.074 3.960 -0.000 0.000 0.218 299 G HA3 0.114 4.074 3.960 -0.000 0.000 0.218 299 G C 0.446 175.368 174.900 0.037 0.000 1.164 299 G CA 1.687 46.796 45.100 0.015 0.000 0.768 299 G HN 1.120 nan 8.290 nan 0.000 0.560 300 S N -3.143 112.572 115.700 0.025 0.000 2.615 300 S HA 0.671 5.141 4.470 -0.000 0.000 0.269 300 S C 0.528 175.136 174.600 0.014 0.000 1.161 300 S CA 0.299 58.516 58.200 0.029 0.000 0.817 300 S CB 1.253 64.440 63.200 -0.021 0.000 1.131 300 S HN 0.765 nan 8.310 nan 0.000 0.467 301 A N 0.474 123.299 122.820 0.009 0.000 1.903 301 A HA 0.566 4.886 4.320 -0.000 0.000 0.213 301 A C 0.602 178.176 177.584 -0.017 0.000 1.185 301 A CA 1.102 53.138 52.037 -0.002 0.000 0.628 301 A CB -0.470 18.531 19.000 0.002 0.000 0.830 301 A HN 1.039 nan 8.150 nan 0.000 0.446 302 V N -0.272 119.632 119.914 -0.017 0.000 2.680 302 V HA 0.592 4.712 4.120 -0.000 0.000 0.309 302 V C -0.255 175.835 176.094 -0.007 0.000 1.052 302 V CA -0.799 61.500 62.300 -0.001 0.000 0.908 302 V CB 1.690 33.526 31.823 0.022 0.000 1.001 302 V HN 0.531 nan 8.190 nan 0.000 0.431 303 R N 2.117 122.630 120.500 0.022 0.000 2.564 303 R HA 0.706 5.046 4.340 -0.000 0.000 0.284 303 R C -1.466 174.894 176.300 0.100 0.000 1.031 303 R CA -0.209 55.901 56.100 0.017 0.000 0.904 303 R CB 2.169 32.464 30.300 -0.008 0.000 1.199 303 R HN 0.747 nan 8.270 nan 0.000 0.443 304 S N 2.647 118.387 115.700 0.067 0.000 2.594 304 S HA 0.350 4.820 4.470 -0.000 0.000 0.296 304 S C -1.482 173.168 174.600 0.084 0.000 1.124 304 S CA -0.895 57.385 58.200 0.134 0.000 1.011 304 S CB 1.695 64.895 63.200 0.000 0.000 1.016 304 S HN 0.537 nan 8.310 nan 0.000 0.485 305 D N 1.512 122.028 120.400 0.192 0.000 2.217 305 D HA 0.404 5.043 4.640 -0.000 0.000 0.248 305 D C 0.099 176.547 176.300 0.246 0.000 1.008 305 D CA -0.272 53.817 54.000 0.149 0.000 0.914 305 D CB 1.568 42.448 40.800 0.135 0.000 1.182 305 D HN 0.392 nan 8.370 nan 0.000 0.451 306 S N -0.138 115.658 115.700 0.161 0.000 2.576 306 S HA 0.497 4.967 4.470 -0.000 0.000 0.276 306 S C 0.543 175.354 174.600 0.350 0.000 1.339 306 S CA -0.591 57.748 58.200 0.231 0.000 1.039 306 S CB 0.461 63.734 63.200 0.121 0.000 0.902 306 S HN 0.421 nan 8.310 nan 0.000 0.516 307 G N 2.126 111.160 108.800 0.390 0.000 2.539 307 G HA2 0.549 4.509 3.960 -0.000 0.000 0.258 307 G HA3 0.549 4.509 3.960 -0.000 0.000 0.258 307 G C -0.811 174.301 174.900 0.352 0.000 1.202 307 G CA -0.524 44.752 45.100 0.293 0.000 0.851 307 G HN 0.797 nan 8.290 nan 0.000 0.556 308 F N -1.086 118.889 119.950 0.041 0.000 2.631 308 F HA 0.673 5.199 4.527 -0.001 0.000 0.308 308 F C -0.857 174.990 175.800 0.079 0.000 1.097 308 F CA -1.733 56.291 58.000 0.039 0.000 0.952 308 F CB 1.034 40.039 39.000 0.008 0.000 1.307 308 F HN 0.413 nan 8.300 nan 0.000 0.450 309 V N 1.220 121.218 119.914 0.141 0.000 2.617 309 V HA 0.470 4.590 4.120 -0.000 0.000 0.298 309 V C -0.617 175.554 176.094 0.128 0.000 1.048 309 V CA -0.477 61.854 62.300 0.051 0.000 0.964 309 V CB 1.558 33.382 31.823 0.001 0.000 1.004 309 V HN 0.860 nan 8.190 nan 0.000 0.466 310 E N 3.156 123.408 120.200 0.087 0.000 2.265 310 E HA 0.437 4.786 4.350 -0.000 0.000 0.262 310 E C -1.427 175.258 176.600 0.142 0.000 0.889 310 E CA -0.539 55.971 56.400 0.182 0.000 0.789 310 E CB 1.637 31.553 29.700 0.359 0.000 1.221 310 E HN 0.554 nan 8.360 nan 0.000 0.414 311 L N 4.503 125.732 121.223 0.010 0.000 2.331 311 L HA 0.372 4.711 4.340 -0.000 0.000 0.278 311 L C -0.318 176.603 176.870 0.085 0.000 1.106 311 L CA -0.052 54.719 54.840 -0.115 0.000 0.824 311 L CB 0.125 42.051 42.059 -0.221 0.000 1.142 311 L HN 0.430 nan 8.230 nan 0.000 0.443 336 c N 1.431 120.039 118.600 0.014 0.000 3.097 336 c HA 0.731 5.301 4.570 -0.000 0.000 0.335 336 c C 1.434 175.530 174.090 0.011 0.000 1.283 336 c CA 0.671 57.008 56.329 0.013 0.000 1.778 336 c CB -0.166 42.355 42.510 0.017 0.000 2.365 336 c HN 0.894 nan 8.230 nan 0.000 0.627 337 A N 1.517 124.344 122.820 0.011 0.000 2.331 337 A HA 0.571 4.890 4.320 -0.000 0.000 0.283 337 A C -0.053 177.534 177.584 0.005 0.000 1.142 337 A CA 0.127 52.169 52.037 0.008 0.000 0.812 337 A CB 0.367 19.372 19.000 0.008 0.000 1.074 337 A HN 0.426 nan 8.150 nan 0.000 0.497 338 Q N 0.443 120.245 119.800 0.004 0.000 2.237 338 Q HA 0.408 4.748 4.340 -0.000 0.000 0.219 338 Q C 0.892 176.890 176.000 -0.002 0.000 0.999 338 Q CA 0.090 55.893 55.803 0.001 0.000 0.959 338 Q CB 0.931 29.669 28.738 0.000 0.000 1.173 338 Q HN 0.915 nan 8.270 nan 0.000 0.527 353 R N 2.052 122.581 120.500 0.047 0.000 2.491 353 R HA 0.491 4.830 4.340 -0.000 0.000 0.283 353 R C -0.481 175.858 176.300 0.065 0.000 1.072 353 R CA -0.130 56.037 56.100 0.112 0.000 1.048 353 R CB 0.611 30.971 30.300 0.100 0.000 0.983 353 R HN 0.501 nan 8.270 nan 0.000 0.450 354 V N 4.503 124.466 119.914 0.081 0.000 2.530 354 V HA 0.073 4.192 4.120 -0.000 0.000 0.282 354 V C 0.320 176.436 176.094 0.036 0.000 1.048 354 V CA -0.328 61.994 62.300 0.037 0.000 0.997 354 V CB 1.427 33.257 31.823 0.012 0.000 0.987 354 V HN 0.897 nan 8.190 nan 0.000 0.477 355 T N 4.250 118.814 114.554 0.017 0.000 2.934 355 T HA -0.013 4.337 4.350 -0.000 0.000 0.306 355 T C 0.467 175.174 174.700 0.011 0.000 1.042 355 T CA 0.113 62.220 62.100 0.011 0.000 1.145 355 T CB 0.227 69.100 68.868 0.008 0.000 0.982 355 T HN 0.721 nan 8.240 nan 0.000 0.544 356 Q N 3.188 122.997 119.800 0.014 0.000 2.613 356 Q HA 0.139 4.479 4.340 -0.000 0.000 0.228 356 Q C -0.731 175.282 176.000 0.021 0.000 1.318 356 Q CA 0.647 56.463 55.803 0.022 0.000 0.907 356 Q CB -0.496 28.258 28.738 0.027 0.000 1.593 356 Q HN 0.477 nan 8.270 nan 0.000 0.559 357 K N 2.548 122.956 120.400 0.013 0.000 2.553 357 K HA 0.183 4.502 4.320 -0.000 0.000 0.250 357 K C -0.685 175.930 176.600 0.024 0.000 0.953 357 K CA -0.741 55.561 56.287 0.025 0.000 0.800 357 K CB 1.500 34.012 32.500 0.019 0.000 1.243 357 K HN 0.144 nan 8.250 nan 0.000 0.435 358 D N 1.488 121.931 120.400 0.071 0.000 2.351 358 D HA -0.120 4.519 4.640 -0.000 0.000 0.216 358 D C 1.420 177.778 176.300 0.095 0.000 0.968 358 D CA 0.956 55.032 54.000 0.128 0.000 0.899 358 D CB 0.193 41.114 40.800 0.202 0.000 0.907 358 D HN 0.632 nan 8.370 nan 0.000 0.514 359 A N -0.507 122.347 122.820 0.056 0.000 1.943 359 A HA -0.053 4.267 4.320 -0.000 0.000 0.213 359 A C 2.295 179.896 177.584 0.029 0.000 1.181 359 A CA 0.442 52.507 52.037 0.048 0.000 0.653 359 A CB -0.513 18.510 19.000 0.039 0.000 0.833 359 A HN 0.333 nan 8.150 nan 0.000 0.451 360 c N -0.622 117.984 118.600 0.011 0.000 2.466 360 c HA 0.067 4.637 4.570 -0.000 0.000 0.278 360 c C 2.599 176.669 174.090 -0.034 0.000 1.288 360 c CA 0.785 57.113 56.329 -0.001 0.000 1.722 360 c CB -1.327 41.181 42.510 -0.003 0.000 2.017 360 c HN 0.605 nan 8.230 nan 0.000 0.488 361 L N 0.535 121.698 121.223 -0.100 0.000 2.093 361 L HA -0.116 4.223 4.340 -0.000 0.000 0.208 361 L C 2.219 178.972 176.870 -0.196 0.000 1.085 361 L CA 1.297 55.986 54.840 -0.252 0.000 0.755 361 L CB -0.726 40.985 42.059 -0.579 0.000 0.904 361 L HN 0.311 nan 8.230 nan 0.000 0.435 362 D N 0.232 120.603 120.400 -0.048 0.000 2.178 362 D HA -0.212 4.428 4.640 -0.000 0.000 0.201 362 D C 2.097 178.431 176.300 0.056 0.000 0.980 362 D CA 1.152 55.200 54.000 0.080 0.000 0.842 362 D CB 0.044 40.919 40.800 0.125 0.000 0.948 362 D HN 0.273 nan 8.370 nan 0.000 0.472 363 K N 0.519 120.941 120.400 0.036 0.000 2.167 363 K HA 0.004 4.324 4.320 -0.000 0.000 0.203 363 K C 1.966 178.610 176.600 0.074 0.000 1.052 363 K CA 0.847 57.165 56.287 0.052 0.000 0.956 363 K CB 0.118 32.648 32.500 0.049 0.000 0.735 363 K HN -0.023 nan 8.250 nan 0.000 0.451 364 A N 1.798 124.647 122.820 0.048 0.000 1.877 364 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 364 A C 2.046 179.697 177.584 0.111 0.000 1.186 364 A CA 1.740 53.826 52.037 0.081 0.000 0.620 364 A CB -0.484 18.506 19.000 -0.016 0.000 0.822 364 A HN 0.347 nan 8.150 nan 0.000 0.443 365 K N -0.950 119.486 120.400 0.060 0.000 2.211 365 K HA -0.094 4.226 4.320 -0.000 0.000 0.203 365 K C 1.812 178.466 176.600 0.089 0.000 1.050 365 K CA 1.263 57.603 56.287 0.088 0.000 0.945 365 K CB -0.190 32.380 32.500 0.117 0.000 0.732 365 K HN 0.364 nan 8.250 nan 0.000 0.451 366 L N 1.192 122.463 121.223 0.079 0.000 2.095 366 L HA -0.043 4.297 4.340 -0.000 0.000 0.204 366 L C 2.121 179.011 176.870 0.033 0.000 1.080 366 L CA 1.706 56.579 54.840 0.055 0.000 0.759 366 L CB -0.289 41.800 42.059 0.049 0.000 0.914 366 L HN 0.199 nan 8.230 nan 0.000 0.439 367 E N -1.780 118.449 120.200 0.049 0.000 2.060 367 E HA -0.185 4.165 4.350 -0.000 0.000 0.189 367 E C 1.590 178.100 176.600 -0.151 0.000 0.974 367 E CA 1.093 57.466 56.400 -0.045 0.000 0.808 367 E CB -0.137 29.561 29.700 -0.004 0.000 0.768 367 E HN 0.594 nan 8.360 nan 0.000 0.453 368 Y N -1.136 119.167 120.300 0.006 0.000 2.458 368 Y HA 0.300 4.850 4.550 -0.001 0.000 0.254 368 Y C 1.539 177.436 175.900 -0.005 0.000 1.120 368 Y CA 0.466 58.565 58.100 -0.001 0.000 1.282 368 Y CB 1.297 39.757 38.460 0.000 0.000 1.109 368 Y HN 0.296 nan 8.280 nan 0.000 0.526 369 G N 1.415 110.296 108.800 0.134 0.000 2.212 369 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.266 369 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.266 369 G C 0.520 175.472 174.900 0.087 0.000 0.978 369 G CA 0.521 45.673 45.100 0.087 0.000 0.632 369 G HN 0.476 nan 8.290 nan 0.000 0.537 370 I N -1.011 119.621 120.570 0.103 0.000 2.886 370 I HA 0.831 5.001 4.170 -0.000 0.000 0.299 370 I C 0.081 176.230 176.117 0.052 0.000 1.044 370 I CA -0.292 61.044 61.300 0.060 0.000 1.310 370 I CB 1.398 39.412 38.000 0.023 0.000 1.441 370 I HN 0.488 nan 8.210 nan 0.000 0.578 371 E N 3.311 123.541 120.200 0.050 0.000 2.423 371 E HA 0.574 4.924 4.350 -0.000 0.000 0.280 371 E C -3.036 173.596 176.600 0.053 0.000 1.030 371 E CA -2.132 54.293 56.400 0.042 0.000 0.812 371 E CB 1.669 31.451 29.700 0.137 0.000 1.313 371 E HN 0.341 nan 8.360 nan 0.000 0.456 372 P HA 0.142 nan 4.420 nan 0.000 0.265 372 P C -0.015 177.333 177.300 0.079 0.000 1.193 372 P CA 0.325 63.473 63.100 0.079 0.000 0.765 372 P CB 0.730 32.508 31.700 0.130 0.000 0.823 373 G N 1.762 110.564 108.800 0.004 0.000 2.684 373 G HA2 0.482 4.442 3.960 -0.000 0.000 0.255 373 G HA3 0.482 4.442 3.960 -0.000 0.000 0.255 373 G C -0.358 174.489 174.900 -0.089 0.000 1.219 373 G CA 0.029 45.075 45.100 -0.090 0.000 0.901 373 G HN 0.664 nan 8.290 nan 0.000 0.548 374 S N -1.847 113.683 115.700 -0.283 0.000 2.683 374 S HA 0.726 5.196 4.470 -0.000 0.000 0.269 374 S C -1.447 172.741 174.600 -0.686 0.000 1.165 374 S CA -0.939 57.026 58.200 -0.392 0.000 0.840 374 S CB 1.190 64.356 63.200 -0.056 0.000 1.169 374 S HN 0.489 nan 8.310 nan 0.000 0.490 375 F N -0.226 119.378 119.950 -0.576 0.000 2.603 375 F HA 0.791 5.318 4.527 -0.000 0.000 0.317 375 F C 1.200 176.931 175.800 -0.114 0.000 1.066 375 F CA 0.010 57.816 58.000 -0.324 0.000 0.941 375 F CB 2.002 40.777 39.000 -0.375 0.000 1.291 375 F HN 0.990 nan 8.300 nan 0.000 0.472 376 G N -0.241 108.641 108.800 0.137 0.000 3.229 376 G HA2 0.206 4.166 3.960 -0.000 0.000 0.165 376 G HA3 0.206 4.166 3.960 -0.000 0.000 0.165 376 G C -0.540 174.419 174.900 0.099 0.000 1.753 376 G CA -0.253 44.904 45.100 0.095 0.000 1.054 376 G HN 0.457 nan 8.290 nan 0.000 0.544 377 T N 0.836 115.434 114.554 0.073 0.000 2.738 377 T HA 0.432 4.782 4.350 -0.000 0.000 0.293 377 T C -0.477 174.240 174.700 0.029 0.000 0.913 377 T CA 0.086 62.218 62.100 0.053 0.000 1.103 377 T CB 0.833 69.735 68.868 0.057 0.000 0.880 377 T HN 0.185 nan 8.240 nan 0.000 0.526 378 V N 5.618 125.520 119.914 -0.019 0.000 2.444 378 V HA 0.468 4.588 4.120 -0.000 0.000 0.294 378 V C -0.104 175.932 176.094 -0.097 0.000 1.022 378 V CA -0.847 61.383 62.300 -0.116 0.000 0.850 378 V CB 1.668 33.270 31.823 -0.368 0.000 0.992 378 V HN 0.731 nan 8.190 nan 0.000 0.426 379 K N 3.685 124.068 120.400 -0.028 0.000 2.443 379 K HA 0.783 5.103 4.320 -0.000 0.000 0.252 379 K C -1.555 175.022 176.600 -0.039 0.000 0.933 379 K CA -0.746 55.521 56.287 -0.032 0.000 0.792 379 K CB 2.899 35.405 32.500 0.009 0.000 1.185 379 K HN 0.402 nan 8.250 nan 0.000 0.425 380 V N 4.179 124.021 119.914 -0.120 0.000 2.407 380 V HA 0.437 4.556 4.120 -0.000 0.000 0.291 380 V C -1.073 174.990 176.094 -0.051 0.000 1.018 380 V CA -0.821 61.483 62.300 0.007 0.000 0.842 380 V CB 0.469 32.314 31.823 0.036 0.000 0.996 380 V HN 0.563 nan 8.190 nan 0.000 0.426 381 F N 2.468 122.522 119.950 0.174 0.000 2.443 381 F HA 0.559 5.086 4.527 -0.000 0.000 0.335 381 F C 0.519 176.382 175.800 0.104 0.000 1.104 381 F CA -0.786 57.307 58.000 0.154 0.000 1.013 381 F CB 1.171 40.204 39.000 0.055 0.000 1.136 381 F HN 0.561 nan 8.300 nan 0.000 0.470 382 D N 1.619 122.178 120.400 0.266 0.000 4.044 382 D HA -0.118 4.522 4.640 -0.000 0.000 0.242 382 D C -1.187 175.175 176.300 0.102 0.000 1.076 382 D CA 0.275 54.370 54.000 0.158 0.000 1.171 382 D CB -0.777 40.108 40.800 0.142 0.000 0.866 382 D HN 0.168 nan 8.370 nan 0.000 0.413 383 V N 2.094 122.048 119.914 0.066 0.000 2.417 383 V HA 0.539 4.658 4.120 -0.000 0.000 0.291 383 V C 0.594 176.700 176.094 0.019 0.000 1.024 383 V CA -0.205 62.114 62.300 0.033 0.000 0.861 383 V CB 2.299 34.125 31.823 0.007 0.000 0.985 383 V HN 0.386 nan 8.190 nan 0.000 0.436 384 T N 4.186 118.752 114.554 0.021 0.000 2.840 384 T HA 0.707 5.057 4.350 -0.000 0.000 0.287 384 T C -0.240 174.486 174.700 0.042 0.000 0.991 384 T CA -0.335 61.782 62.100 0.027 0.000 0.964 384 T CB 1.572 70.458 68.868 0.029 0.000 0.954 384 T HN 0.879 nan 8.240 nan 0.000 0.438 385 A N 3.525 126.391 122.820 0.075 0.000 2.291 385 A HA 0.730 5.050 4.320 -0.000 0.000 0.311 385 A C -0.061 177.704 177.584 0.301 0.000 1.224 385 A CA -0.814 51.319 52.037 0.161 0.000 0.821 385 A CB 0.767 19.867 19.000 0.167 0.000 1.172 385 A HN 0.773 nan 8.150 nan 0.000 0.494 386 R N 2.944 123.565 120.500 0.202 0.000 2.294 386 R HA 0.444 4.784 4.340 -0.000 0.000 0.319 386 R C -0.953 175.381 176.300 0.058 0.000 0.984 386 R CA -0.546 55.654 56.100 0.168 0.000 0.861 386 R CB 0.541 30.883 30.300 0.070 0.000 1.104 386 R HN 0.643 nan 8.270 nan 0.000 0.451 387 F N 3.033 122.821 119.950 -0.270 0.000 2.563 387 F HA 0.376 4.903 4.527 -0.000 0.000 0.363 387 F C 0.334 175.871 175.800 -0.438 0.000 1.123 387 F CA 1.428 59.002 58.000 -0.710 0.000 1.307 387 F CB 0.861 39.258 39.000 -1.005 0.000 1.115 387 F HN 0.638 nan 8.300 nan 0.000 0.592 388 G N 3.988 111.979 108.800 -1.348 0.000 2.684 388 G HA2 0.324 4.284 3.960 -0.000 0.000 0.290 388 G HA3 0.324 4.284 3.960 -0.000 0.000 0.290 388 G C -1.557 172.618 174.900 -1.209 0.000 1.425 388 G CA -0.597 43.935 45.100 -0.946 0.000 0.822 388 G HN 0.564 nan 8.290 nan 0.000 0.482 389 Y N -0.217 119.816 120.300 -0.446 0.000 2.458 389 Y HA 0.283 4.832 4.550 -0.000 0.000 0.256 389 Y C 1.451 177.253 175.900 -0.164 0.000 1.159 389 Y CA -0.374 57.552 58.100 -0.289 0.000 1.261 389 Y CB 0.780 39.157 38.460 -0.139 0.000 1.119 389 Y HN 0.309 nan 8.280 nan 0.000 0.524 390 N N 0.700 119.366 118.700 -0.056 0.000 2.541 390 N HA 0.325 5.065 4.740 -0.000 0.000 0.297 390 N C -0.236 175.250 175.510 -0.040 0.000 1.503 390 N CA 0.034 53.074 53.050 -0.017 0.000 0.919 390 N CB 0.675 39.158 38.487 -0.005 0.000 1.305 390 N HN 0.062 nan 8.380 nan 0.000 0.501 391 A N 0.237 123.024 122.820 -0.054 0.000 2.322 391 A HA 0.307 4.627 4.320 -0.000 0.000 0.269 391 A C 0.020 177.611 177.584 0.010 0.000 1.094 391 A CA -0.280 51.736 52.037 -0.035 0.000 0.807 391 A CB 0.677 19.649 19.000 -0.046 0.000 1.047 391 A HN 0.066 nan 8.150 nan 0.000 0.487 392 D N 0.807 121.210 120.400 0.005 0.000 2.308 392 D HA 0.512 5.152 4.640 -0.000 0.000 0.251 392 D C -0.500 175.815 176.300 0.025 0.000 1.127 392 D CA 0.620 54.626 54.000 0.008 0.000 0.876 392 D CB 0.956 41.764 40.800 0.014 0.000 1.176 392 D HN 0.374 nan 8.370 nan 0.000 0.446 393 L N 2.127 123.376 121.223 0.043 0.000 2.388 393 L HA 0.408 4.748 4.340 -0.000 0.000 0.264 393 L C 0.209 177.112 176.870 0.055 0.000 0.998 393 L CA -1.096 53.781 54.840 0.062 0.000 0.817 393 L CB 1.943 44.079 42.059 0.128 0.000 1.338 393 L HN -0.058 nan 8.230 nan 0.000 0.414 394 K N 1.308 121.718 120.400 0.016 0.000 2.098 394 K HA 0.214 4.534 4.320 -0.000 0.000 0.258 394 K C 0.418 176.976 176.600 -0.069 0.000 0.973 394 K CA -0.447 55.844 56.287 0.007 0.000 0.898 394 K CB 1.799 34.298 32.500 -0.002 0.000 1.057 394 K HN 0.589 nan 8.250 nan 0.000 0.447 395 Q N 1.188 120.938 119.800 -0.083 0.000 2.096 395 Q HA -0.208 4.132 4.340 -0.000 0.000 0.204 395 Q C 0.443 176.198 176.000 -0.407 0.000 0.982 395 Q CA 2.180 57.745 55.803 -0.396 0.000 0.850 395 Q CB 0.141 28.689 28.738 -0.316 0.000 0.901 395 Q HN 0.610 nan 8.270 nan 0.000 0.422 396 D N -0.934 119.346 120.400 -0.199 0.000 2.358 396 D HA -0.128 4.512 4.640 -0.000 0.000 0.241 396 D C 0.802 177.044 176.300 -0.098 0.000 1.094 396 D CA 0.584 54.501 54.000 -0.138 0.000 0.907 396 D CB -0.002 40.758 40.800 -0.066 0.000 0.893 396 D HN 0.413 nan 8.370 nan 0.000 0.528 397 Q N -0.577 119.164 119.800 -0.099 0.000 2.316 397 Q HA 0.276 4.616 4.340 -0.000 0.000 0.235 397 Q C 1.991 177.943 176.000 -0.080 0.000 0.863 397 Q CA -0.197 55.624 55.803 0.030 0.000 0.939 397 Q CB 0.502 29.255 28.738 0.025 0.000 1.108 397 Q HN 0.249 nan 8.270 nan 0.000 0.522 398 L N 1.109 122.236 121.223 -0.159 0.000 2.127 398 L HA -0.198 4.142 4.340 -0.000 0.000 0.211 398 L C 1.131 178.028 176.870 0.044 0.000 1.089 398 L CA 0.956 55.781 54.840 -0.026 0.000 0.757 398 L CB -0.318 41.644 42.059 -0.162 0.000 0.899 398 L HN 0.177 nan 8.230 nan 0.000 0.434 399 D N -0.870 119.454 120.400 -0.126 0.000 2.350 399 D HA -0.159 4.481 4.640 -0.000 0.000 0.216 399 D C 1.656 177.831 176.300 -0.208 0.000 0.968 399 D CA 0.984 54.890 54.000 -0.158 0.000 0.894 399 D CB -0.101 40.538 40.800 -0.269 0.000 0.909 399 D HN 0.329 nan 8.370 nan 0.000 0.520 400 Y N -0.942 119.321 120.300 -0.063 0.000 2.578 400 Y HA 0.037 4.587 4.550 -0.000 0.000 0.297 400 Y C 1.326 177.245 175.900 0.031 0.000 1.176 400 Y CA -0.003 58.058 58.100 -0.064 0.000 1.315 400 Y CB -0.446 37.878 38.460 -0.226 0.000 1.031 400 Y HN -0.056 nan 8.280 nan 0.000 0.524 401 F N -0.782 119.290 119.950 0.205 0.000 2.789 401 F HA -0.063 4.464 4.527 -0.000 0.000 0.300 401 F C 2.435 178.302 175.800 0.112 0.000 1.132 401 F CA 0.469 58.563 58.000 0.158 0.000 1.404 401 F CB -0.629 38.431 39.000 0.100 0.000 1.114 401 F HN 0.040 nan 8.300 nan 0.000 0.584 402 S N -0.692 115.163 115.700 0.257 0.000 2.420 402 S HA -0.249 4.220 4.470 -0.000 0.000 0.237 402 S C 2.070 176.748 174.600 0.131 0.000 1.023 402 S CA 1.885 60.181 58.200 0.159 0.000 0.991 402 S CB -1.223 62.039 63.200 0.103 0.000 0.792 402 S HN 0.495 nan 8.310 nan 0.000 0.488 403 T N -0.557 114.080 114.554 0.138 0.000 2.976 403 T HA 0.101 4.451 4.350 -0.000 0.000 0.257 403 T C 1.996 176.710 174.700 0.023 0.000 1.051 403 T CA 1.000 63.129 62.100 0.048 0.000 1.141 403 T CB -0.537 68.305 68.868 -0.043 0.000 0.881 403 T HN 0.645 nan 8.240 nan 0.000 0.461 404 S N 0.284 116.020 115.700 0.060 0.000 2.505 404 S HA 0.274 4.744 4.470 -0.000 0.000 0.216 404 S C 0.793 175.461 174.600 0.112 0.000 1.018 404 S CA -0.281 57.958 58.200 0.064 0.000 0.911 404 S CB -0.202 63.036 63.200 0.063 0.000 0.818 404 S HN 0.403 nan 8.310 nan 0.000 0.497 405 N N 1.882 120.687 118.700 0.174 0.000 2.687 405 N HA 0.362 5.102 4.740 -0.000 0.000 0.275 405 N C -2.302 173.260 175.510 0.087 0.000 1.789 405 N CA -1.906 51.213 53.050 0.115 0.000 0.806 405 N CB 1.316 39.863 38.487 0.100 0.000 1.256 405 N HN 0.043 nan 8.380 nan 0.000 0.500 406 P HA -0.115 nan 4.420 nan 0.000 0.223 406 P C 0.769 178.083 177.300 0.022 0.000 1.144 406 P CA 1.066 64.198 63.100 0.053 0.000 0.783 406 P CB 0.258 31.981 31.700 0.038 0.000 0.771 407 M N -1.863 117.738 119.600 0.002 0.000 2.431 407 M HA 0.137 4.617 4.480 -0.000 0.000 0.237 407 M C 0.292 176.565 176.300 -0.045 0.000 1.130 407 M CA -0.107 55.183 55.300 -0.016 0.000 1.002 407 M CB -0.467 32.123 32.600 -0.016 0.000 1.524 407 M HN -0.162 nan 8.290 nan 0.000 0.482 408 c N 2.944 121.498 118.600 -0.077 0.000 4.114 408 c HA -0.169 4.401 4.570 -0.000 0.000 0.300 408 c C 0.618 174.596 174.090 -0.186 0.000 1.423 408 c CA 0.642 56.862 56.329 -0.183 0.000 2.034 408 c CB -2.668 39.780 42.510 -0.102 0.000 1.299 408 c HN 0.486 nan 8.230 nan 0.000 0.727 409 K N 0.368 120.680 120.400 -0.147 0.000 2.382 409 K HA 0.304 4.623 4.320 -0.000 0.000 0.275 409 K C 1.065 177.600 176.600 -0.107 0.000 1.009 409 K CA -0.123 56.106 56.287 -0.097 0.000 0.970 409 K CB 0.270 32.739 32.500 -0.050 0.000 0.934 409 K HN 0.326 nan 8.250 nan 0.000 0.479 410 R N -1.511 118.943 120.500 -0.075 0.000 3.954 410 R HA -0.150 4.190 4.340 -0.000 0.000 0.422 410 R C -0.683 175.598 176.300 -0.031 0.000 1.091 410 R CA 0.528 56.599 56.100 -0.048 0.000 1.168 410 R CB -2.627 27.676 30.300 0.006 0.000 1.752 410 R HN 0.394 nan 8.270 nan 0.000 0.547 411 V N 2.309 122.175 119.914 -0.079 0.000 2.406 411 V HA 0.314 4.434 4.120 -0.000 0.000 0.272 411 V C 1.213 177.334 176.094 0.046 0.000 1.043 411 V CA -0.407 61.872 62.300 -0.034 0.000 0.915 411 V CB 1.489 33.232 31.823 -0.132 0.000 0.988 411 V HN 0.399 nan 8.190 nan 0.000 0.466 412 C N 5.596 124.955 119.300 0.099 0.000 2.493 412 C HA 0.880 5.340 4.460 -0.000 0.000 0.326 412 C C -0.529 174.533 174.990 0.120 0.000 1.200 412 C CA -1.123 57.952 59.018 0.095 0.000 1.739 412 C CB 1.020 28.802 27.740 0.070 0.000 2.300 412 C HN 0.795 nan 8.230 nan 0.000 0.500 413 L N 3.763 125.016 121.223 0.050 0.000 2.280 413 L HA 0.662 5.001 4.340 -0.000 0.000 0.287 413 L C -2.529 174.258 176.870 -0.138 0.000 1.023 413 L CA -2.203 52.570 54.840 -0.112 0.000 0.819 413 L CB 0.704 42.725 42.059 -0.062 0.000 1.212 413 L HN 0.560 nan 8.230 nan 0.000 0.420 414 P HA 0.124 nan 4.420 nan 0.000 0.267 414 P C -0.570 176.575 177.300 -0.260 0.000 1.200 414 P CA -0.056 62.871 63.100 -0.288 0.000 0.772 414 P CB 0.338 31.718 31.700 -0.532 0.000 0.855 415 T N -0.021 114.379 114.554 -0.257 0.000 2.766 415 T HA 0.140 4.490 4.350 -0.000 0.000 0.295 415 T C 1.141 175.726 174.700 -0.191 0.000 1.024 415 T CA -0.259 61.736 62.100 -0.176 0.000 1.018 415 T CB 0.473 69.257 68.868 -0.140 0.000 1.002 415 T HN 0.110 nan 8.240 nan 0.000 0.532 416 K N 0.541 120.864 120.400 -0.129 0.000 2.147 416 K HA -0.046 4.273 4.320 -0.000 0.000 0.205 416 K C 2.294 178.808 176.600 -0.143 0.000 1.049 416 K CA 1.554 57.765 56.287 -0.127 0.000 0.936 416 K CB -0.323 32.120 32.500 -0.095 0.000 0.722 416 K HN 0.762 nan 8.250 nan 0.000 0.446 417 E N 0.427 120.550 120.200 -0.128 0.000 2.106 417 E HA -0.187 4.162 4.350 -0.000 0.000 0.192 417 E C 2.062 178.586 176.600 -0.128 0.000 0.984 417 E CA 1.014 57.352 56.400 -0.102 0.000 0.806 417 E CB -0.022 29.637 29.700 -0.070 0.000 0.750 417 E HN 0.391 nan 8.360 nan 0.000 0.458 418 Q N -0.851 118.778 119.800 -0.284 0.000 2.049 418 Q HA -0.046 4.294 4.340 -0.000 0.000 0.198 418 Q C 0.399 176.216 176.000 -0.305 0.000 0.971 418 Q CA 0.748 56.194 55.803 -0.595 0.000 0.833 418 Q CB 0.352 28.269 28.738 -1.369 0.000 0.896 418 Q HN 0.277 nan 8.270 nan 0.000 0.434 419 W N 0.552 121.570 121.300 -0.470 0.000 2.957 419 W HA 0.137 4.797 4.660 0.000 0.000 0.327 419 W C 0.383 176.827 176.519 -0.126 0.000 1.039 419 W CA -0.205 57.026 57.345 -0.190 0.000 1.257 419 W CB 1.212 30.571 29.460 -0.169 0.000 1.238 419 W HN 0.108 nan 8.180 nan 0.000 0.406 420 S N 3.145 118.533 115.700 -0.521 0.000 2.402 420 S HA -0.186 4.284 4.470 -0.000 0.000 0.233 420 S C 0.613 175.030 174.600 -0.304 0.000 1.030 420 S CA 1.091 59.064 58.200 -0.377 0.000 1.003 420 S CB -0.081 62.899 63.200 -0.366 0.000 0.813 420 S HN 0.498 nan 8.310 nan 0.000 0.477 421 K N 2.601 122.744 120.400 -0.428 0.000 2.222 421 K HA 0.224 4.543 4.320 -0.000 0.000 0.243 421 K C -0.398 176.285 176.600 0.138 0.000 1.160 421 K CA -0.074 56.163 56.287 -0.083 0.000 1.090 421 K CB 0.298 32.811 32.500 0.022 0.000 1.694 421 K HN 0.507 nan 8.250 nan 0.000 0.361 422 Q N 0.084 119.931 119.800 0.077 0.000 2.286 422 Q HA -0.009 4.331 4.340 -0.000 0.000 0.290 422 Q C 1.058 177.173 176.000 0.191 0.000 1.049 422 Q CA 1.004 56.866 55.803 0.099 0.000 0.923 422 Q CB 0.623 29.424 28.738 0.104 0.000 1.183 422 Q HN 0.907 nan 8.270 nan 0.000 0.383 423 G N 1.946 110.739 108.800 -0.011 0.000 2.238 423 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.217 423 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.217 423 G C 0.734 175.656 174.900 0.037 0.000 0.996 423 G CA 0.059 45.181 45.100 0.037 0.000 0.632 423 G HN 0.615 nan 8.290 nan 0.000 0.503 424 Q N -0.740 119.084 119.800 0.040 0.000 2.331 424 Q HA 0.400 4.740 4.340 -0.000 0.000 0.203 424 Q C 0.479 176.288 176.000 -0.319 0.000 0.944 424 Q CA 1.102 56.930 55.803 0.042 0.000 0.892 424 Q CB 0.594 29.539 28.738 0.346 0.000 0.983 424 Q HN 0.622 nan 8.270 nan 0.000 0.482 425 I N -0.930 119.321 120.570 -0.532 0.000 2.775 425 I HA 0.299 4.469 4.170 -0.000 0.000 0.295 425 I C -1.912 173.867 176.117 -0.563 0.000 1.287 425 I CA -0.951 59.928 61.300 -0.702 0.000 1.029 425 I CB 1.573 38.679 38.000 -1.491 0.000 1.282 425 I HN -0.173 nan 8.210 nan 0.000 0.426 426 Y N 5.915 126.093 120.300 -0.203 0.000 2.576 426 Y HA 0.710 5.259 4.550 -0.000 0.000 0.346 426 Y C -0.546 175.340 175.900 -0.024 0.000 1.018 426 Y CA -0.799 57.253 58.100 -0.080 0.000 1.050 426 Y CB 1.997 40.420 38.460 -0.060 0.000 1.280 426 Y HN 0.307 nan 8.280 nan 0.000 0.474 427 I N 1.506 122.184 120.570 0.179 0.000 2.433 427 I HA 0.820 4.990 4.170 -0.000 0.000 0.292 427 I C 0.223 176.420 176.117 0.133 0.000 1.001 427 I CA -0.315 61.064 61.300 0.132 0.000 1.119 427 I CB 1.767 39.845 38.000 0.129 0.000 1.289 427 I HN 0.795 nan 8.210 nan 0.000 0.438 428 G N 5.774 114.643 108.800 0.116 0.000 2.427 428 G HA2 0.401 4.361 3.960 -0.000 0.000 0.306 428 G HA3 0.401 4.361 3.960 -0.000 0.000 0.306 428 G C -3.322 171.635 174.900 0.096 0.000 1.280 428 G CA -0.792 44.373 45.100 0.109 0.000 0.837 428 G HN 0.234 nan 8.290 nan 0.000 0.482 429 P HA 0.289 nan 4.420 nan 0.000 0.269 429 P C 0.128 177.467 177.300 0.065 0.000 1.209 429 P CA 0.041 63.119 63.100 -0.036 0.000 0.776 429 P CB 0.738 32.589 31.700 0.251 0.000 0.876 430 S N 1.548 117.047 115.700 -0.335 0.000 2.568 430 S HA 0.065 4.534 4.470 -0.000 0.000 0.282 430 S C 1.369 176.101 174.600 0.219 0.000 1.338 430 S CA -0.101 58.042 58.200 -0.096 0.000 1.045 430 S CB -0.056 62.983 63.200 -0.268 0.000 0.873 430 S HN 0.385 nan 8.310 nan 0.000 0.516 431 L N 0.982 122.325 121.223 0.199 0.000 2.425 431 L HA 0.425 4.764 4.340 -0.000 0.000 0.215 431 L C 0.792 177.818 176.870 0.260 0.000 1.065 431 L CA 0.362 55.286 54.840 0.140 0.000 0.842 431 L CB 0.036 42.019 42.059 -0.127 0.000 1.033 431 L HN 0.781 nan 8.230 nan 0.000 0.474 432 A N -1.771 121.195 122.820 0.242 0.000 2.511 432 A HA 0.674 4.994 4.320 -0.000 0.000 0.293 432 A C -0.062 177.487 177.584 -0.059 0.000 1.098 432 A CA 0.127 52.164 52.037 0.000 0.000 0.643 432 A CB 0.193 19.138 19.000 -0.092 0.000 1.302 432 A HN -0.095 nan 8.150 nan 0.000 0.446 433 A N -0.783 121.904 122.820 -0.222 0.000 1.911 433 A HA 0.525 4.845 4.320 -0.000 0.000 0.212 433 A C 0.533 178.059 177.584 -0.097 0.000 1.189 433 A CA 1.694 53.640 52.037 -0.151 0.000 0.639 433 A CB -0.228 18.647 19.000 -0.208 0.000 0.839 433 A HN 1.439 nan 8.150 nan 0.000 0.449 434 V N 0.337 120.173 119.914 -0.129 0.000 2.709 434 V HA 0.462 4.581 4.120 -0.000 0.000 0.308 434 V C -1.078 174.924 176.094 -0.153 0.000 1.062 434 V CA -0.363 61.864 62.300 -0.121 0.000 0.901 434 V CB 1.813 33.556 31.823 -0.134 0.000 1.003 434 V HN 0.339 nan 8.190 nan 0.000 0.425 435 I N 3.566 124.053 120.570 -0.137 0.000 2.418 435 I HA 0.475 4.645 4.170 -0.000 0.000 0.287 435 I C -1.164 174.864 176.117 -0.148 0.000 1.008 435 I CA -0.195 60.998 61.300 -0.177 0.000 1.104 435 I CB 1.895 39.799 38.000 -0.160 0.000 1.264 435 I HN 0.559 nan 8.210 nan 0.000 0.438 436 D N 4.923 125.214 120.400 -0.181 0.000 2.421 436 D HA 0.176 4.816 4.640 -0.000 0.000 0.254 436 D C 0.465 176.667 176.300 -0.164 0.000 1.238 436 D CA -0.275 53.622 54.000 -0.172 0.000 0.919 436 D CB 1.602 42.281 40.800 -0.201 0.000 1.152 436 D HN 0.605 nan 8.370 nan 0.000 0.552 437 T N -0.430 114.049 114.554 -0.124 0.000 3.206 437 T HA 0.123 4.472 4.350 -0.000 0.000 0.253 437 T C 0.884 175.531 174.700 -0.088 0.000 1.042 437 T CA -0.404 61.641 62.100 -0.091 0.000 0.931 437 T CB -0.457 68.380 68.868 -0.051 0.000 1.029 437 T HN 0.345 nan 8.240 nan 0.000 0.564 438 T N 1.542 116.001 114.554 -0.157 0.000 2.901 438 T HA 0.309 4.659 4.350 -0.000 0.000 0.301 438 T C -2.555 172.077 174.700 -0.113 0.000 1.012 438 T CA -1.798 60.194 62.100 -0.181 0.000 1.135 438 T CB 0.729 69.334 68.868 -0.438 0.000 0.936 438 T HN 0.034 nan 8.240 nan 0.000 0.539 439 P HA 0.130 nan 4.420 nan 0.000 0.263 439 P C 0.571 177.853 177.300 -0.029 0.000 1.345 439 P CA -0.034 63.057 63.100 -0.015 0.000 1.119 439 P CB 0.332 32.054 31.700 0.038 0.000 1.363 440 E N 1.943 122.112 120.200 -0.052 0.000 2.049 440 E HA -0.153 4.197 4.350 -0.000 0.000 0.198 440 E C 1.094 177.677 176.600 -0.030 0.000 1.007 440 E CA 1.826 58.192 56.400 -0.057 0.000 0.809 440 E CB -0.467 29.195 29.700 -0.065 0.000 0.749 440 E HN 0.517 nan 8.360 nan 0.000 0.450 441 T N -0.911 113.634 114.554 -0.014 0.000 3.624 441 T HA 0.222 4.572 4.350 -0.000 0.000 0.231 441 T C -0.065 174.648 174.700 0.023 0.000 0.865 441 T CA -0.386 61.714 62.100 -0.000 0.000 0.926 441 T CB 0.231 69.100 68.868 0.001 0.000 1.189 441 T HN -0.063 nan 8.240 nan 0.000 0.640 442 S N -0.303 115.415 115.700 0.031 0.000 2.570 442 S HA 0.458 4.928 4.470 -0.000 0.000 0.286 442 S C 0.736 175.365 174.600 0.048 0.000 1.099 442 S CA -0.964 57.282 58.200 0.077 0.000 0.913 442 S CB 1.659 64.932 63.200 0.122 0.000 1.085 442 S HN 0.396 nan 8.310 nan 0.000 0.480 443 K N 1.498 121.923 120.400 0.042 0.000 2.296 443 K HA 0.050 4.370 4.320 -0.000 0.000 0.200 443 K C -0.565 175.853 176.600 -0.303 0.000 1.048 443 K CA 0.952 57.143 56.287 -0.160 0.000 0.966 443 K CB -0.021 32.316 32.500 -0.272 0.000 0.754 443 K HN 0.592 nan 8.250 nan 0.000 0.466 444 Y N 1.284 121.612 120.300 0.048 0.000 2.841 444 Y HA 0.286 4.836 4.550 -0.000 0.000 0.329 444 Y C -0.698 175.253 175.900 0.085 0.000 1.062 444 Y CA -1.311 56.830 58.100 0.069 0.000 1.281 444 Y CB 0.452 38.955 38.460 0.072 0.000 1.147 444 Y HN -0.043 nan 8.280 nan 0.000 0.521 445 D N 1.308 121.805 120.400 0.162 0.000 2.654 445 D HA 0.393 5.033 4.640 -0.000 0.000 0.231 445 D C -1.496 174.904 176.300 0.166 0.000 1.239 445 D CA -0.642 53.439 54.000 0.136 0.000 0.790 445 D CB 1.465 42.285 40.800 0.033 0.000 1.480 445 D HN 0.156 nan 8.370 nan 0.000 0.442 446 Y N -0.463 119.857 120.300 0.033 0.000 2.602 446 Y HA 0.779 5.329 4.550 -0.000 0.000 0.342 446 Y C -1.334 174.544 175.900 -0.036 0.000 1.029 446 Y CA -0.974 57.136 58.100 0.016 0.000 1.080 446 Y CB 1.537 40.041 38.460 0.073 0.000 1.284 446 Y HN 0.070 nan 8.280 nan 0.000 0.485 447 D N 1.321 121.699 120.400 -0.037 0.000 2.498 447 D HA 0.418 5.058 4.640 -0.000 0.000 0.247 447 D C -1.213 174.974 176.300 -0.188 0.000 1.070 447 D CA -0.476 53.409 54.000 -0.191 0.000 0.842 447 D CB 2.859 43.581 40.800 -0.130 0.000 1.361 447 D HN 0.470 nan 8.370 nan 0.000 0.484 448 V N 3.030 122.754 119.914 -0.316 0.000 2.257 448 V HA 0.141 4.260 4.120 -0.000 0.000 0.269 448 V C 0.389 176.299 176.094 -0.306 0.000 1.040 448 V CA -0.696 61.378 62.300 -0.377 0.000 0.813 448 V CB 0.516 32.047 31.823 -0.488 0.000 1.065 448 V HN 0.229 nan 8.190 nan 0.000 0.457 449 K N 3.237 123.481 120.400 -0.260 0.000 2.379 449 K HA 0.370 4.689 4.320 -0.000 0.000 0.284 449 K C 0.525 176.866 176.600 -0.433 0.000 1.044 449 K CA -0.025 56.055 56.287 -0.345 0.000 0.974 449 K CB 0.781 33.155 32.500 -0.210 0.000 0.962 449 K HN 0.770 nan 8.250 nan 0.000 0.474 450 T N -0.015 114.177 114.554 -0.603 0.000 2.855 450 T HA 0.645 4.995 4.350 -0.000 0.000 0.281 450 T C -0.514 173.727 174.700 -0.765 0.000 1.007 450 T CA -0.820 60.997 62.100 -0.471 0.000 1.009 450 T CB 0.544 69.245 68.868 -0.279 0.000 0.983 450 T HN 0.238 nan 8.240 nan 0.000 0.455 451 F N 1.048 120.852 119.950 -0.243 0.000 2.565 451 F HA 0.563 5.090 4.527 -0.000 0.000 0.313 451 F C 0.573 176.349 175.800 -0.041 0.000 1.091 451 F CA -1.060 56.853 58.000 -0.146 0.000 0.915 451 F CB 1.603 40.500 39.000 -0.172 0.000 1.208 451 F HN 0.769 nan 8.300 nan 0.000 0.453 452 N N 1.237 120.023 118.700 0.144 0.000 2.671 452 N HA -0.161 4.579 4.740 -0.000 0.000 0.261 452 N C -1.670 173.868 175.510 0.047 0.000 1.053 452 N CA 0.161 53.270 53.050 0.098 0.000 0.732 452 N CB -0.762 37.811 38.487 0.143 0.000 0.887 452 N HN 0.367 nan 8.380 nan 0.000 0.546 453 V N 2.067 121.976 119.914 -0.009 0.000 2.432 453 V HA 0.412 4.532 4.120 -0.000 0.000 0.275 453 V C 0.702 176.771 176.094 -0.043 0.000 1.043 453 V CA -0.097 62.181 62.300 -0.038 0.000 0.925 453 V CB 1.512 33.283 31.823 -0.086 0.000 0.985 453 V HN 0.274 nan 8.190 nan 0.000 0.466 454 K N 4.696 125.075 120.400 -0.034 0.000 2.426 454 K HA 0.707 5.027 4.320 -0.000 0.000 0.251 454 K C -0.911 175.663 176.600 -0.043 0.000 0.941 454 K CA -0.933 55.334 56.287 -0.033 0.000 0.808 454 K CB 2.998 35.498 32.500 0.000 0.000 1.265 454 K HN 0.525 nan 8.250 nan 0.000 0.432 455 R N 1.628 122.093 120.500 -0.058 0.000 2.711 455 R HA 0.598 4.938 4.340 -0.000 0.000 0.284 455 R C -0.666 175.707 176.300 0.121 0.000 0.968 455 R CA -0.796 55.283 56.100 -0.035 0.000 0.924 455 R CB 1.494 31.587 30.300 -0.345 0.000 1.162 455 R HN 0.492 nan 8.270 nan 0.000 0.465 456 I N 2.394 123.140 120.570 0.292 0.000 2.499 456 I HA 0.191 4.361 4.170 -0.000 0.000 0.288 456 I C -0.396 175.880 176.117 0.264 0.000 1.048 456 I CA -0.724 60.706 61.300 0.217 0.000 1.062 456 I CB 1.960 40.044 38.000 0.140 0.000 1.238 456 I HN 0.673 nan 8.210 nan 0.000 0.426 457 N N 2.877 121.668 118.700 0.152 0.000 2.782 457 N HA -0.211 4.528 4.740 -0.000 0.000 0.251 457 N C -0.628 174.796 175.510 -0.143 0.000 1.101 457 N CA 0.958 54.034 53.050 0.044 0.000 0.764 457 N CB -1.404 37.122 38.487 0.066 0.000 1.122 457 N HN 0.388 nan 8.380 nan 0.000 0.561 458 F N 1.533 121.364 119.950 -0.199 0.000 2.418 458 F HA 0.352 4.878 4.527 -0.000 0.000 0.341 458 F C -0.940 174.588 175.800 -0.453 0.000 1.120 458 F CA -1.331 56.414 58.000 -0.425 0.000 1.232 458 F CB 0.256 39.159 39.000 -0.161 0.000 1.175 458 F HN -0.081 nan 8.300 nan 0.000 0.569 459 P HA 0.100 nan 4.420 nan 0.000 0.274 459 P C -0.493 176.747 177.300 -0.101 0.000 1.246 459 P CA -0.296 62.646 63.100 -0.263 0.000 0.795 459 P CB 1.349 32.876 31.700 -0.289 0.000 1.006 460 V N 2.198 122.068 119.914 -0.075 0.000 2.872 460 V HA -0.036 4.084 4.120 -0.000 0.000 0.307 460 V C 0.918 176.980 176.094 -0.053 0.000 1.072 460 V CA 0.551 62.821 62.300 -0.051 0.000 1.148 460 V CB -0.852 30.948 31.823 -0.039 0.000 0.954 460 V HN 0.777 nan 8.190 nan 0.000 0.490 461 N N 2.229 120.891 118.700 -0.063 0.000 2.741 461 N HA -0.150 4.589 4.740 -0.000 0.000 0.251 461 N C 0.202 175.615 175.510 -0.163 0.000 1.112 461 N CA 1.209 54.205 53.050 -0.091 0.000 0.750 461 N CB -1.431 37.020 38.487 -0.059 0.000 1.119 461 N HN 1.031 nan 8.380 nan 0.000 0.561 462 S N -0.528 115.091 115.700 -0.135 0.000 2.707 462 S HA 0.467 4.936 4.470 -0.000 0.000 0.276 462 S C -0.002 174.424 174.600 -0.290 0.000 1.179 462 S CA -0.659 57.448 58.200 -0.155 0.000 0.992 462 S CB 1.654 64.924 63.200 0.117 0.000 1.030 462 S HN 0.192 nan 8.310 nan 0.000 0.554 463 H N 0.400 119.462 119.070 -0.014 0.000 2.473 463 H HA 0.381 4.937 4.556 -0.000 0.000 0.327 463 H C 0.678 175.867 175.328 -0.233 0.000 1.105 463 H CA -0.545 55.435 56.048 -0.113 0.000 1.280 463 H CB 1.686 31.369 29.762 -0.132 0.000 1.450 463 H HN 0.794 nan 8.280 nan 0.000 0.492 464 K N 1.691 122.022 120.400 -0.115 0.000 2.121 464 K HA 0.054 4.373 4.320 -0.000 0.000 0.203 464 K C -0.151 176.336 176.600 -0.189 0.000 1.041 464 K CA 0.829 56.978 56.287 -0.230 0.000 0.969 464 K CB 0.569 32.959 32.500 -0.184 0.000 0.799 464 K HN 0.399 nan 8.250 nan 0.000 0.456 465 T N 1.143 115.609 114.554 -0.146 0.000 2.848 465 T HA 0.454 4.804 4.350 -0.000 0.000 0.285 465 T C -0.679 173.889 174.700 -0.219 0.000 0.995 465 T CA -0.589 61.406 62.100 -0.175 0.000 0.970 465 T CB 1.564 70.332 68.868 -0.167 0.000 0.976 465 T HN 0.066 nan 8.240 nan 0.000 0.441 466 I N 4.245 124.629 120.570 -0.310 0.000 2.339 466 I HA 0.402 4.571 4.170 -0.000 0.000 0.290 466 I C -0.246 175.643 176.117 -0.379 0.000 0.994 466 I CA -0.628 60.377 61.300 -0.492 0.000 1.191 466 I CB 1.265 38.795 38.000 -0.784 0.000 1.343 466 I HN 0.724 nan 8.210 nan 0.000 0.458 467 D N 1.766 121.981 120.400 -0.308 0.000 2.727 467 D HA 0.235 4.875 4.640 -0.000 0.000 0.264 467 D C 0.981 177.190 176.300 -0.151 0.000 1.101 467 D CA -0.449 53.425 54.000 -0.210 0.000 1.122 467 D CB 0.408 41.108 40.800 -0.167 0.000 1.390 467 D HN 0.453 nan 8.370 nan 0.000 0.606 468 T N -3.053 111.441 114.554 -0.100 0.000 3.007 468 T HA -0.081 4.268 4.350 -0.000 0.000 0.270 468 T C 0.789 175.472 174.700 -0.029 0.000 1.107 468 T CA 0.750 62.821 62.100 -0.048 0.000 1.118 468 T CB -0.466 68.376 68.868 -0.044 0.000 0.889 468 T HN 0.315 nan 8.240 nan 0.000 0.506 469 N N 0.878 119.549 118.700 -0.047 0.000 2.373 469 N HA 0.060 4.800 4.740 -0.000 0.000 0.181 469 N C 0.059 175.559 175.510 -0.016 0.000 1.082 469 N CA 0.233 53.266 53.050 -0.028 0.000 0.885 469 N CB 0.121 38.585 38.487 -0.037 0.000 0.977 469 N HN 0.394 nan 8.380 nan 0.000 0.462 470 T N 2.267 116.797 114.554 -0.039 0.000 2.867 470 T HA 0.025 4.375 4.350 -0.000 0.000 0.297 470 T C 0.529 175.281 174.700 0.086 0.000 0.989 470 T CA 0.320 62.402 62.100 -0.031 0.000 1.159 470 T CB 0.829 69.559 68.868 -0.230 0.000 0.928 470 T HN 0.104 nan 8.240 nan 0.000 0.538 471 E N 1.793 122.048 120.200 0.091 0.000 2.373 471 E HA 0.437 4.787 4.350 -0.000 0.000 0.263 471 E C 0.128 176.798 176.600 0.117 0.000 1.073 471 E CA -0.454 56.000 56.400 0.090 0.000 0.894 471 E CB 0.697 30.443 29.700 0.076 0.000 1.008 471 E HN 0.727 nan 8.360 nan 0.000 0.420 472 S N 0.279 115.991 115.700 0.020 0.000 2.565 472 S HA 0.665 5.135 4.470 -0.000 0.000 0.269 472 S C -1.026 173.533 174.600 -0.068 0.000 1.153 472 S CA -0.944 57.212 58.200 -0.074 0.000 0.835 472 S CB 1.713 64.666 63.200 -0.412 0.000 1.122 472 S HN 0.529 nan 8.310 nan 0.000 0.462 473 S N 0.494 116.157 115.700 -0.061 0.000 2.547 473 S HA 0.635 5.105 4.470 -0.000 0.000 0.270 473 S C -0.962 173.617 174.600 -0.035 0.000 1.150 473 S CA -1.048 57.127 58.200 -0.041 0.000 0.850 473 S CB 1.583 64.776 63.200 -0.011 0.000 1.118 473 S HN 1.063 nan 8.310 nan 0.000 0.461 474 R N 1.319 121.790 120.500 -0.049 0.000 2.351 474 R HA 0.448 4.788 4.340 -0.000 0.000 0.318 474 R C 0.688 176.964 176.300 -0.039 0.000 1.055 474 R CA 0.190 56.255 56.100 -0.058 0.000 0.968 474 R CB 0.262 30.466 30.300 -0.159 0.000 0.974 474 R HN 0.828 nan 8.270 nan 0.000 0.439 475 V N 0.609 120.529 119.914 0.010 0.000 3.502 475 V HA 0.285 4.405 4.120 -0.000 0.000 0.288 475 V C 0.164 176.266 176.094 0.014 0.000 1.461 475 V CA -0.399 61.912 62.300 0.018 0.000 1.029 475 V CB -0.105 31.754 31.823 0.060 0.000 0.843 475 V HN 0.561 nan 8.190 nan 0.000 0.438 476 c N 2.030 120.652 118.600 0.037 0.000 2.391 476 c HA 0.570 5.140 4.570 -0.000 0.000 0.339 476 c C 0.354 174.452 174.090 0.012 0.000 1.205 476 c CA -0.374 55.984 56.329 0.048 0.000 1.937 476 c CB 0.811 43.380 42.510 0.099 0.000 2.341 476 c HN 0.528 nan 8.230 nan 0.000 0.516 477 N N 1.258 119.976 118.700 0.031 0.000 2.602 477 N HA 0.119 4.858 4.740 -0.000 0.000 0.238 477 N C 0.718 176.304 175.510 0.126 0.000 1.084 477 N CA -0.082 52.982 53.050 0.024 0.000 0.952 477 N CB -0.009 38.499 38.487 0.036 0.000 1.244 477 N HN 0.582 nan 8.380 nan 0.000 0.512 478 Y N 2.248 122.470 120.300 -0.130 0.000 2.139 478 Y HA -0.252 4.298 4.550 -0.001 0.000 0.282 478 Y C 0.865 176.553 175.900 -0.354 0.000 1.179 478 Y CA 1.513 59.430 58.100 -0.305 0.000 1.161 478 Y CB -0.506 37.630 38.460 -0.538 0.000 0.970 478 Y HN 0.587 nan 8.280 nan 0.000 0.511 479 Y N -2.533 117.939 120.300 0.286 0.000 2.445 479 Y HA 0.373 4.923 4.550 -0.000 0.000 0.247 479 Y C 2.127 178.092 175.900 0.108 0.000 1.129 479 Y CA 0.207 58.412 58.100 0.176 0.000 1.251 479 Y CB 0.179 38.717 38.460 0.130 0.000 1.176 479 Y HN -0.012 nan 8.280 nan 0.000 0.522 480 G N 0.068 108.985 108.800 0.196 0.000 3.192 480 G HA2 0.170 4.130 3.960 -0.000 0.000 0.239 480 G HA3 0.170 4.130 3.960 -0.000 0.000 0.239 480 G C 0.693 175.646 174.900 0.088 0.000 1.084 480 G CA -0.281 44.893 45.100 0.123 0.000 0.784 480 G HN 0.196 nan 8.290 nan 0.000 0.540 481 M N 0.066 119.726 119.600 0.100 0.000 2.184 481 M HA 0.477 4.957 4.480 -0.000 0.000 0.296 481 M C 0.213 176.550 176.300 0.063 0.000 1.165 481 M CA -0.139 55.207 55.300 0.077 0.000 1.175 481 M CB 0.139 32.799 32.600 0.100 0.000 1.392 481 M HN -0.155 nan 8.290 nan 0.000 0.457 482 S N 1.341 117.067 115.700 0.043 0.000 2.558 482 S HA 0.008 4.478 4.470 -0.000 0.000 0.293 482 S C -0.046 174.574 174.600 0.033 0.000 1.292 482 S CA -0.325 57.893 58.200 0.030 0.000 1.063 482 S CB -0.200 63.010 63.200 0.018 0.000 0.831 482 S HN 0.698 nan 8.310 nan 0.000 0.499 483 E N 0.873 121.084 120.200 0.019 0.000 2.373 483 E HA 0.275 4.625 4.350 -0.000 0.000 0.263 483 E C -0.116 176.491 176.600 0.012 0.000 1.073 483 E CA -0.879 55.523 56.400 0.004 0.000 0.894 483 E CB 0.626 30.320 29.700 -0.010 0.000 1.008 483 E HN 0.492 nan 8.360 nan 0.000 0.420 484 C N 3.086 122.392 119.300 0.009 0.000 2.601 484 C HA 0.261 4.721 4.460 -0.000 0.000 0.409 484 C C 0.809 175.831 174.990 0.053 0.000 1.293 484 C CA -0.050 58.999 59.018 0.051 0.000 2.101 484 C CB -0.480 27.320 27.740 0.100 0.000 2.639 484 C HN 0.774 nan 8.230 nan 0.000 0.592 485 S N 4.695 120.436 115.700 0.069 0.000 2.593 485 S HA 0.174 4.644 4.470 -0.000 0.000 0.269 485 S C 0.989 175.656 174.600 0.111 0.000 1.334 485 S CA 0.018 58.258 58.200 0.066 0.000 1.015 485 S CB 1.269 64.501 63.200 0.053 0.000 0.912 485 S HN 0.869 nan 8.310 nan 0.000 0.541 486 S N 1.777 117.536 115.700 0.098 0.000 2.370 486 S HA -0.152 4.317 4.470 -0.000 0.000 0.226 486 S C 2.349 177.047 174.600 0.163 0.000 1.033 486 S CA 1.538 59.823 58.200 0.142 0.000 1.011 486 S CB -0.886 62.374 63.200 0.101 0.000 0.852 486 S HN 0.989 nan 8.310 nan 0.000 0.457 487 S N 2.013 117.777 115.700 0.107 0.000 2.370 487 S HA -0.151 4.319 4.470 -0.000 0.000 0.226 487 S C 1.850 176.504 174.600 0.089 0.000 1.033 487 S CA 1.183 59.433 58.200 0.084 0.000 1.011 487 S CB -0.414 62.819 63.200 0.055 0.000 0.852 487 S HN 0.469 nan 8.310 nan 0.000 0.457 488 R N -0.166 120.399 120.500 0.108 0.000 2.075 488 R HA -0.046 4.294 4.340 -0.000 0.000 0.232 488 R C 2.372 178.758 176.300 0.145 0.000 1.126 488 R CA 1.472 57.635 56.100 0.106 0.000 0.963 488 R CB -0.452 29.912 30.300 0.106 0.000 0.858 488 R HN 0.758 nan 8.270 nan 0.000 0.435 489 W N 1.627 122.941 121.300 0.024 0.000 2.381 489 W HA -0.146 4.514 4.660 -0.000 0.000 0.301 489 W C 0.833 177.378 176.519 0.043 0.000 1.205 489 W CA 1.326 58.691 57.345 0.033 0.000 1.285 489 W CB -0.015 29.472 29.460 0.045 0.000 1.133 489 W HN 0.165 nan 8.180 nan 0.000 0.521 490 E N 0.253 120.514 120.200 0.101 0.000 2.347 490 E HA -0.059 4.291 4.350 -0.000 0.000 0.196 490 E C 0.474 177.039 176.600 -0.058 0.000 1.008 490 E CA 0.359 56.758 56.400 -0.002 0.000 0.852 490 E CB 0.086 29.854 29.700 0.112 0.000 0.783 490 E HN 0.127 nan 8.360 nan 0.000 0.505 491 R N 0.000 120.474 120.500 -0.043 0.000 2.786 491 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 491 R CA 0.000 56.075 56.100 -0.042 0.000 0.921 491 R CB 0.000 30.249 30.300 -0.085 0.000 0.687 491 R HN 0.000 nan 8.270 nan 0.000 0.535