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 1wp9_1_C DATA FIRST_RESID 1 DATA SEQUENCE MVLRRDLIQP RIYQEVIYAK CKETNCLIVL PTGLGKTLIA MMIAEYRLTK DATA SEQUENCE YGGKVLMLAP TKPLVLQHAE SFRRLFNLPP EKIVALTGEK SPEERSKAWA DATA SEQUENCE RAKVIVATPQ TIENDLLAGR ISLEDVSLIV FDEAHRAVGN YAYVFIAREY DATA SEQUENCE KRQAKNPLVI GLTASPGSTP EKIMEVINNL GIEHIEYRSE NSPDVRPYVK DATA SEQUENCE GIRFEWVRVD LPEIYKEVRK LLREMLRDAL KPLAETGLLE SSSPDIPKKE DATA SEQUENCE VLRAGQIINE EMAKGNHDLR GLLLYHAMAL KLHHAIELLE TQGLSALRAY DATA SEQUENCE IKKLYEEAKA GSTKASKEIF SDKRMKKAIS LLVQAKEIGL DHPKMDKLKE DATA SEQUENCE IIREQLQRKQ NSKIIVFTNY RETAKKIVNE LVKDGIKAKR FVXXXXXXXX DATA SEQUENCE XXXXQREQKL ILDEFARGEF NVLVATSVGE EGLDVPEVDL VVFYEPVPSA DATA SEQUENCE IRSIQRRGRT GRHMPGRVII LMAKGTRDEA YYWSSRQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.281 176.300 -0.032 0.000 1.140 1 M CA 0.000 55.277 55.300 -0.039 0.000 0.988 1 M CB 0.000 32.574 32.600 -0.044 0.000 1.302 2 V N 1.003 120.900 119.914 -0.029 0.000 2.341 2 V HA 0.120 4.240 4.120 -0.000 0.000 0.240 2 V C 0.644 176.656 176.094 -0.137 0.000 1.035 2 V CA 0.769 63.080 62.300 0.018 0.000 1.033 2 V CB 0.067 31.953 31.823 0.104 0.000 0.678 2 V HN 0.651 nan 8.190 nan 0.000 0.464 3 L N 1.338 122.381 121.223 -0.300 0.000 2.265 3 L HA 0.459 4.799 4.340 -0.000 0.000 0.289 3 L C 0.473 177.123 176.870 -0.366 0.000 1.033 3 L CA -0.346 54.121 54.840 -0.623 0.000 0.814 3 L CB 0.800 42.453 42.059 -0.676 0.000 1.203 3 L HN 0.044 nan 8.230 nan 0.000 0.423 4 R N 4.887 125.189 120.500 -0.331 0.000 4.432 4 R HA 0.026 4.366 4.340 -0.000 0.000 0.165 4 R C 1.198 177.377 176.300 -0.200 0.000 1.929 4 R CA 0.233 56.208 56.100 -0.209 0.000 1.469 4 R CB -0.762 29.441 30.300 -0.162 0.000 1.368 4 R HN 0.706 nan 8.270 nan 0.000 0.811 5 R N 0.772 121.151 120.500 -0.201 0.000 2.117 5 R HA -0.189 4.151 4.340 -0.000 0.000 0.243 5 R C 1.404 177.618 176.300 -0.143 0.000 1.143 5 R CA 1.944 57.933 56.100 -0.186 0.000 0.968 5 R CB -0.078 30.116 30.300 -0.178 0.000 0.863 5 R HN 0.536 nan 8.270 nan 0.000 0.444 6 D N 0.856 121.186 120.400 -0.117 0.000 2.123 6 D HA -0.191 4.449 4.640 -0.000 0.000 0.196 6 D C 1.756 178.003 176.300 -0.088 0.000 0.992 6 D CA 1.096 55.042 54.000 -0.090 0.000 0.833 6 D CB -0.386 40.370 40.800 -0.074 0.000 0.954 6 D HN 0.111 nan 8.370 nan 0.000 0.455 7 L N 0.711 121.876 121.223 -0.097 0.000 2.275 7 L HA 0.058 4.398 4.340 -0.000 0.000 0.215 7 L C 2.300 179.113 176.870 -0.095 0.000 1.119 7 L CA 0.994 55.782 54.840 -0.088 0.000 0.790 7 L CB -0.564 41.442 42.059 -0.088 0.000 0.919 7 L HN 0.380 nan 8.230 nan 0.000 0.443 8 I N -3.486 117.013 120.570 -0.119 0.000 4.181 8 I HA 0.123 4.293 4.170 -0.000 0.000 0.331 8 I C -0.066 175.976 176.117 -0.125 0.000 1.312 8 I CA -0.095 61.132 61.300 -0.122 0.000 1.146 8 I CB -0.022 37.888 38.000 -0.151 0.000 1.074 8 I HN 0.179 nan 8.210 nan 0.000 0.402 9 Q N 2.676 122.404 119.800 -0.121 0.000 2.447 9 Q HA -0.106 4.234 4.340 -0.000 0.000 0.348 9 Q C -1.960 173.944 176.000 -0.159 0.000 1.421 9 Q CA -0.151 55.583 55.803 -0.116 0.000 0.978 9 Q CB -1.603 27.088 28.738 -0.078 0.000 1.191 9 Q HN 0.464 nan 8.270 nan 0.000 0.371 10 P HA -0.037 nan 4.420 nan 0.000 0.264 10 P C 0.013 177.132 177.300 -0.302 0.000 1.183 10 P CA 0.617 63.559 63.100 -0.264 0.000 0.763 10 P CB 0.592 32.136 31.700 -0.260 0.000 0.807 11 R N 1.857 122.052 120.500 -0.508 0.000 2.583 11 R HA 0.324 4.664 4.340 -0.000 0.000 0.268 11 R C 2.004 178.001 176.300 -0.504 0.000 1.101 11 R CA -0.591 55.097 56.100 -0.687 0.000 1.180 11 R CB 0.022 29.388 30.300 -1.557 0.000 1.128 11 R HN 0.357 nan 8.270 nan 0.000 0.568 12 I N 0.487 120.926 120.570 -0.218 0.000 2.069 12 I HA -0.375 3.795 4.170 -0.000 0.000 0.237 12 I C 2.155 178.225 176.117 -0.079 0.000 1.053 12 I CA 1.798 63.081 61.300 -0.029 0.000 1.311 12 I CB -0.462 37.648 38.000 0.183 0.000 1.030 12 I HN 0.729 nan 8.210 nan 0.000 0.398 13 Y N 1.209 121.521 120.300 0.021 0.000 2.256 13 Y HA -0.251 4.299 4.550 -0.000 0.000 0.288 13 Y C 2.340 178.235 175.900 -0.008 0.000 1.155 13 Y CA 1.142 59.254 58.100 0.020 0.000 1.203 13 Y CB -1.362 37.118 38.460 0.034 0.000 0.980 13 Y HN 0.213 nan 8.280 nan 0.000 0.530 14 Q N 0.113 119.536 119.800 -0.628 0.000 2.119 14 Q HA -0.179 4.161 4.340 -0.000 0.000 0.201 14 Q C 2.159 178.093 176.000 -0.110 0.000 0.972 14 Q CA 1.666 57.273 55.803 -0.328 0.000 0.847 14 Q CB -0.091 28.337 28.738 -0.518 0.000 0.903 14 Q HN 0.627 nan 8.270 nan 0.000 0.433 15 E N -0.064 120.056 120.200 -0.133 0.000 2.028 15 E HA -0.128 4.222 4.350 -0.000 0.000 0.190 15 E C 1.889 178.554 176.600 0.108 0.000 0.984 15 E CA 0.864 57.246 56.400 -0.030 0.000 0.800 15 E CB -0.012 29.648 29.700 -0.067 0.000 0.758 15 E HN 0.057 nan 8.360 nan 0.000 0.448 16 V N 0.948 120.907 119.914 0.075 0.000 2.252 16 V HA -0.314 3.806 4.120 -0.000 0.000 0.249 16 V C 2.361 178.516 176.094 0.102 0.000 1.056 16 V CA 2.086 64.441 62.300 0.092 0.000 1.022 16 V CB -0.482 31.400 31.823 0.099 0.000 0.641 16 V HN 0.349 nan 8.190 nan 0.000 0.445 17 I N -0.829 119.814 120.570 0.123 0.000 2.099 17 I HA -0.343 3.827 4.170 -0.000 0.000 0.239 17 I C 2.482 178.657 176.117 0.096 0.000 1.066 17 I CA 2.554 63.922 61.300 0.114 0.000 1.324 17 I CB -0.614 37.472 38.000 0.142 0.000 1.037 17 I HN 0.491 nan 8.210 nan 0.000 0.401 18 Y N 1.971 122.266 120.300 -0.009 0.000 2.139 18 Y HA -0.377 4.173 4.550 -0.000 0.000 0.282 18 Y C 2.412 178.268 175.900 -0.073 0.000 1.179 18 Y CA 1.641 59.721 58.100 -0.034 0.000 1.161 18 Y CB -0.498 37.933 38.460 -0.050 0.000 0.970 18 Y HN 0.143 nan 8.280 nan 0.000 0.511 19 A N 0.734 123.471 122.820 -0.138 0.000 1.877 19 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 19 A C 2.223 179.643 177.584 -0.273 0.000 1.186 19 A CA 2.153 54.016 52.037 -0.290 0.000 0.620 19 A CB -0.585 18.400 19.000 -0.025 0.000 0.822 19 A HN 0.594 nan 8.150 nan 0.000 0.443 20 K N -0.886 119.439 120.400 -0.124 0.000 2.062 20 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 20 K C 1.592 178.147 176.600 -0.076 0.000 1.051 20 K CA 1.377 57.616 56.287 -0.080 0.000 0.941 20 K CB -0.306 32.201 32.500 0.012 0.000 0.719 20 K HN 0.542 nan 8.250 nan 0.000 0.440 21 C N 1.452 120.715 119.300 -0.061 0.000 2.573 21 C HA 0.131 4.591 4.460 -0.000 0.000 0.273 21 C C 2.079 177.011 174.990 -0.097 0.000 1.346 21 C CA -0.417 58.586 59.018 -0.026 0.000 1.702 21 C CB -0.992 26.758 27.740 0.016 0.000 1.751 21 C HN 0.413 nan 8.230 nan 0.000 0.583 22 K N 1.656 121.902 120.400 -0.256 0.000 2.147 22 K HA -0.149 4.171 4.320 -0.000 0.000 0.205 22 K C 1.246 177.792 176.600 -0.090 0.000 1.049 22 K CA 1.481 57.540 56.287 -0.380 0.000 0.936 22 K CB 0.095 32.089 32.500 -0.844 0.000 0.722 22 K HN 0.333 nan 8.250 nan 0.000 0.446 23 E N 0.041 120.215 120.200 -0.043 0.000 3.105 23 E HA 0.164 4.513 4.350 -0.000 0.000 0.198 23 E C -1.633 174.989 176.600 0.036 0.000 0.976 23 E CA -0.191 56.247 56.400 0.064 0.000 1.219 23 E CB 1.259 31.012 29.700 0.087 0.000 1.081 23 E HN 0.026 nan 8.360 nan 0.000 0.464 24 T N -0.543 114.029 114.554 0.029 0.000 2.956 24 T HA 0.331 4.681 4.350 -0.000 0.000 0.312 24 T C -0.628 174.106 174.700 0.056 0.000 1.151 24 T CA -0.849 61.273 62.100 0.037 0.000 1.024 24 T CB 1.267 70.151 68.868 0.027 0.000 1.140 24 T HN 0.039 nan 8.240 nan 0.000 0.473 25 N N 1.209 119.944 118.700 0.060 0.000 2.438 25 N HA 0.350 5.090 4.740 -0.000 0.000 0.267 25 N C -0.669 174.876 175.510 0.059 0.000 1.222 25 N CA 0.010 53.100 53.050 0.066 0.000 0.930 25 N CB 0.251 38.777 38.487 0.065 0.000 1.083 25 N HN 0.437 nan 8.380 nan 0.000 0.476 26 C N 2.176 121.505 119.300 0.049 0.000 3.044 26 C HA 0.545 5.005 4.460 -0.000 0.000 0.315 26 C C -0.650 174.336 174.990 -0.007 0.000 1.320 26 C CA -0.722 58.304 59.018 0.014 0.000 1.582 26 C CB 1.470 29.224 27.740 0.022 0.000 2.039 26 C HN 0.530 nan 8.230 nan 0.000 0.466 27 L N 1.948 123.130 121.223 -0.070 0.000 2.343 27 L HA 0.615 4.955 4.340 -0.000 0.000 0.278 27 L C -0.711 176.103 176.870 -0.094 0.000 0.996 27 L CA -0.003 54.801 54.840 -0.060 0.000 0.831 27 L CB 0.986 42.995 42.059 -0.084 0.000 1.232 27 L HN 0.514 nan 8.230 nan 0.000 0.413 28 I N 5.306 125.866 120.570 -0.017 0.000 2.307 28 I HA 0.322 4.492 4.170 -0.000 0.000 0.289 28 I C -0.616 175.527 176.117 0.044 0.000 1.021 28 I CA -0.663 60.636 61.300 -0.000 0.000 1.224 28 I CB 1.291 39.316 38.000 0.042 0.000 1.376 28 I HN 0.162 nan 8.210 nan 0.000 0.470 29 V N 8.226 128.179 119.914 0.064 0.000 2.311 29 V HA 0.487 4.607 4.120 -0.000 0.000 0.275 29 V C -0.032 176.136 176.094 0.123 0.000 1.022 29 V CA -0.344 62.045 62.300 0.149 0.000 0.830 29 V CB 0.953 32.991 31.823 0.360 0.000 1.012 29 V HN 0.496 nan 8.190 nan 0.000 0.452 30 L N 5.976 127.239 121.223 0.068 0.000 2.445 30 L HA 0.575 4.915 4.340 -0.000 0.000 0.262 30 L C -2.764 174.112 176.870 0.009 0.000 0.974 30 L CA -2.041 52.811 54.840 0.020 0.000 0.822 30 L CB 2.924 44.988 42.059 0.007 0.000 1.339 30 L HN 0.332 nan 8.230 nan 0.000 0.409 31 P HA 0.058 nan 4.420 nan 0.000 0.269 31 P C -0.452 176.854 177.300 0.011 0.000 1.209 31 P CA -0.060 63.034 63.100 -0.010 0.000 0.776 31 P CB 0.430 32.118 31.700 -0.021 0.000 0.876 32 T N 2.144 116.711 114.554 0.023 0.000 2.933 32 T HA 0.289 4.639 4.350 -0.000 0.000 0.306 32 T C 1.428 176.156 174.700 0.047 0.000 1.045 32 T CA 1.469 63.595 62.100 0.043 0.000 1.143 32 T CB -0.308 68.587 68.868 0.045 0.000 1.003 32 T HN 0.833 nan 8.240 nan 0.000 0.540 33 G N 1.932 110.768 108.800 0.060 0.000 2.194 33 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.236 33 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.236 33 G C 0.619 175.564 174.900 0.075 0.000 0.987 33 G CA -0.093 45.046 45.100 0.064 0.000 0.635 33 G HN 0.670 nan 8.290 nan 0.000 0.520 34 L N 0.777 122.046 121.223 0.076 0.000 2.629 34 L HA 0.440 4.780 4.340 -0.000 0.000 0.230 34 L C 2.010 179.005 176.870 0.207 0.000 1.151 34 L CA 0.774 55.690 54.840 0.126 0.000 0.924 34 L CB -0.069 41.978 42.059 -0.020 0.000 1.137 34 L HN 0.973 nan 8.230 nan 0.000 0.457 35 G N -0.023 108.850 108.800 0.121 0.000 2.143 35 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.249 35 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.249 35 G C 1.004 175.953 174.900 0.080 0.000 0.981 35 G CA 0.515 45.666 45.100 0.086 0.000 0.665 35 G HN 0.353 nan 8.290 nan 0.000 0.528 36 K N -0.501 119.957 120.400 0.097 0.000 2.097 36 K HA -0.204 4.116 4.320 -0.000 0.000 0.214 36 K C 2.606 179.240 176.600 0.055 0.000 1.052 36 K CA 2.307 58.646 56.287 0.086 0.000 0.932 36 K CB -0.376 32.178 32.500 0.089 0.000 0.716 36 K HN 0.429 nan 8.250 nan 0.000 0.455 37 T N 1.567 116.144 114.554 0.038 0.000 2.788 37 T HA -0.093 4.257 4.350 -0.000 0.000 0.268 37 T C 1.794 176.470 174.700 -0.041 0.000 1.044 37 T CA 0.978 63.070 62.100 -0.014 0.000 1.139 37 T CB -0.105 68.748 68.868 -0.026 0.000 0.867 37 T HN 0.120 nan 8.240 nan 0.000 0.454 38 L N 0.384 121.585 121.223 -0.036 0.000 2.005 38 L HA -0.024 4.316 4.340 -0.000 0.000 0.207 38 L C 2.471 179.313 176.870 -0.048 0.000 1.072 38 L CA 1.308 56.102 54.840 -0.078 0.000 0.744 38 L CB -0.574 41.434 42.059 -0.085 0.000 0.895 38 L HN 0.250 nan 8.230 nan 0.000 0.433 39 I N 0.002 120.571 120.570 -0.002 0.000 2.248 39 I HA -0.333 3.837 4.170 -0.000 0.000 0.248 39 I C 2.796 178.975 176.117 0.103 0.000 1.107 39 I CA 1.168 62.499 61.300 0.051 0.000 1.373 39 I CB -0.591 37.464 38.000 0.091 0.000 1.055 39 I HN 0.256 nan 8.210 nan 0.000 0.418 40 A N 1.149 124.018 122.820 0.081 0.000 1.858 40 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 40 A C 2.361 180.045 177.584 0.167 0.000 1.190 40 A CA 1.721 53.828 52.037 0.116 0.000 0.617 40 A CB -0.624 18.430 19.000 0.090 0.000 0.827 40 A HN 0.344 nan 8.150 nan 0.000 0.443 41 M N -1.286 118.375 119.600 0.102 0.000 2.202 41 M HA -0.169 4.311 4.480 -0.000 0.000 0.262 41 M C 2.370 178.816 176.300 0.244 0.000 1.063 41 M CA 1.704 57.122 55.300 0.196 0.000 1.097 41 M CB -0.549 32.036 32.600 -0.025 0.000 1.382 41 M HN 0.409 nan 8.290 nan 0.000 0.413 42 M N 0.136 119.796 119.600 0.099 0.000 2.086 42 M HA -0.183 4.297 4.480 -0.000 0.000 0.261 42 M C 2.123 178.642 176.300 0.365 0.000 1.067 42 M CA 1.680 57.002 55.300 0.035 0.000 1.116 42 M CB -0.391 32.093 32.600 -0.193 0.000 1.348 42 M HN 0.234 nan 8.290 nan 0.000 0.407 43 I N -0.162 120.686 120.570 0.464 0.000 2.252 43 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 43 I C 2.673 179.024 176.117 0.390 0.000 1.102 43 I CA 1.072 62.632 61.300 0.433 0.000 1.385 43 I CB -0.583 37.562 38.000 0.242 0.000 1.064 43 I HN 0.262 nan 8.210 nan 0.000 0.414 44 A N 0.380 123.402 122.820 0.336 0.000 1.908 44 A HA -0.289 4.031 4.320 -0.000 0.000 0.218 44 A C 2.327 180.114 177.584 0.339 0.000 1.181 44 A CA 2.075 54.291 52.037 0.299 0.000 0.627 44 A CB -0.666 18.526 19.000 0.321 0.000 0.818 44 A HN 0.523 nan 8.150 nan 0.000 0.445 45 E N -1.585 118.876 120.200 0.435 0.000 2.077 45 E HA -0.245 4.105 4.350 -0.000 0.000 0.193 45 E C 1.855 178.636 176.600 0.302 0.000 0.989 45 E CA 1.461 58.090 56.400 0.382 0.000 0.800 45 E CB -0.332 29.526 29.700 0.263 0.000 0.746 45 E HN 0.737 nan 8.360 nan 0.000 0.452 46 Y N 1.342 121.789 120.300 0.245 0.000 2.224 46 Y HA -0.178 4.372 4.550 -0.000 0.000 0.289 46 Y C 2.111 178.092 175.900 0.136 0.000 1.146 46 Y CA 1.599 59.818 58.100 0.198 0.000 1.182 46 Y CB 0.093 38.705 38.460 0.253 0.000 0.983 46 Y HN -0.036 nan 8.280 nan 0.000 0.524 47 R N 0.240 120.853 120.500 0.190 0.000 2.062 47 R HA -0.039 4.301 4.340 -0.000 0.000 0.226 47 R C 2.380 178.720 176.300 0.067 0.000 1.125 47 R CA 1.315 57.506 56.100 0.152 0.000 0.966 47 R CB -1.197 29.260 30.300 0.261 0.000 0.861 47 R HN 0.417 nan 8.270 nan 0.000 0.433 48 L N 1.300 122.571 121.223 0.080 0.000 2.187 48 L HA -0.159 4.181 4.340 -0.000 0.000 0.213 48 L C 2.411 179.278 176.870 -0.005 0.000 1.100 48 L CA 1.854 56.718 54.840 0.041 0.000 0.765 48 L CB -0.675 41.419 42.059 0.059 0.000 0.904 48 L HN 0.381 nan 8.230 nan 0.000 0.437 49 T N -3.960 110.569 114.554 -0.043 0.000 3.031 49 T HA -0.113 4.237 4.350 -0.000 0.000 0.254 49 T C 1.836 176.419 174.700 -0.195 0.000 1.060 49 T CA 0.414 62.464 62.100 -0.084 0.000 1.135 49 T CB 0.135 68.975 68.868 -0.047 0.000 0.896 49 T HN 0.191 nan 8.240 nan 0.000 0.472 50 K N -0.587 119.585 120.400 -0.380 0.000 2.168 50 K HA 0.157 4.477 4.320 -0.000 0.000 0.201 50 K C 0.182 176.427 176.600 -0.591 0.000 1.049 50 K CA 0.269 56.194 56.287 -0.604 0.000 0.974 50 K CB 0.201 32.049 32.500 -1.086 0.000 0.792 50 K HN 0.456 nan 8.250 nan 0.000 0.463 51 Y N -0.293 119.920 120.300 -0.145 0.000 2.956 51 Y HA 0.343 4.893 4.550 -0.000 0.000 0.354 51 Y C 1.625 177.489 175.900 -0.060 0.000 1.248 51 Y CA -0.841 57.209 58.100 -0.084 0.000 1.158 51 Y CB -0.512 37.909 38.460 -0.064 0.000 1.418 51 Y HN 0.020 nan 8.280 nan 0.000 0.763 52 G N -0.417 108.492 108.800 0.183 0.000 2.199 52 G HA2 0.267 4.227 3.960 -0.000 0.000 0.364 52 G HA3 0.267 4.227 3.960 -0.000 0.000 0.364 52 G C 0.211 175.129 174.900 0.030 0.000 1.465 52 G CA 0.153 45.295 45.100 0.071 0.000 1.049 52 G HN 0.905 nan 8.290 nan 0.000 0.522 53 G N -1.150 107.647 108.800 -0.006 0.000 4.831 53 G HA2 0.477 4.437 3.960 -0.000 0.000 0.231 53 G HA3 0.477 4.437 3.960 -0.000 0.000 0.231 53 G C -0.524 174.315 174.900 -0.102 0.000 1.006 53 G CA -0.194 44.880 45.100 -0.044 0.000 0.792 53 G HN 0.527 nan 8.290 nan 0.000 0.546 54 K N 0.487 120.823 120.400 -0.107 0.000 2.619 54 K HA 0.566 4.886 4.320 -0.000 0.000 0.251 54 K C -1.270 175.220 176.600 -0.183 0.000 0.987 54 K CA -0.349 55.814 56.287 -0.205 0.000 0.844 54 K CB 2.192 34.554 32.500 -0.230 0.000 1.237 54 K HN 0.010 nan 8.250 nan 0.000 0.447 55 V N 4.738 124.499 119.914 -0.256 0.000 2.540 55 V HA 0.601 4.721 4.120 -0.000 0.000 0.302 55 V C -1.135 174.757 176.094 -0.337 0.000 1.035 55 V CA -0.948 61.208 62.300 -0.241 0.000 0.873 55 V CB 1.496 33.191 31.823 -0.213 0.000 0.992 55 V HN 0.671 nan 8.190 nan 0.000 0.428 56 L N 5.479 126.520 121.223 -0.304 0.000 2.381 56 L HA 0.741 5.081 4.340 -0.000 0.000 0.274 56 L C -0.723 175.945 176.870 -0.336 0.000 0.988 56 L CA -0.328 54.328 54.840 -0.307 0.000 0.824 56 L CB 1.594 43.531 42.059 -0.204 0.000 1.263 56 L HN 0.800 nan 8.230 nan 0.000 0.410 57 M N 5.875 125.286 119.600 -0.314 0.000 2.243 57 M HA 0.551 5.031 4.480 -0.000 0.000 0.324 57 M C -1.778 174.419 176.300 -0.171 0.000 1.031 57 M CA -0.530 54.609 55.300 -0.268 0.000 0.949 57 M CB 1.232 33.691 32.600 -0.235 0.000 1.615 57 M HN 0.623 nan 8.290 nan 0.000 0.430 58 L N 4.174 125.284 121.223 -0.188 0.000 2.334 58 L HA 0.936 5.276 4.340 -0.000 0.000 0.275 58 L C -0.416 176.579 176.870 0.209 0.000 1.036 58 L CA -0.732 54.113 54.840 0.008 0.000 0.807 58 L CB 1.753 43.788 42.059 -0.040 0.000 1.231 58 L HN 0.818 nan 8.230 nan 0.000 0.438 59 A N 2.928 125.932 122.820 0.306 0.000 2.486 59 A HA 0.691 5.011 4.320 -0.000 0.000 0.300 59 A C -2.422 175.340 177.584 0.296 0.000 1.048 59 A CA -1.289 50.953 52.037 0.342 0.000 0.696 59 A CB 1.719 20.910 19.000 0.318 0.000 1.278 59 A HN 0.493 nan 8.150 nan 0.000 0.405 60 P HA -0.129 nan 4.420 nan 0.000 0.214 60 P C 1.011 178.394 177.300 0.140 0.000 1.169 60 P CA 2.398 65.612 63.100 0.190 0.000 0.908 60 P CB -0.039 31.733 31.700 0.119 0.000 0.791 61 T N -4.320 110.301 114.554 0.111 0.000 2.897 61 T HA 0.371 4.721 4.350 -0.000 0.000 0.278 61 T C 1.003 175.743 174.700 0.067 0.000 0.981 61 T CA -0.679 61.467 62.100 0.077 0.000 0.973 61 T CB 1.524 70.427 68.868 0.058 0.000 1.092 61 T HN -0.227 nan 8.240 nan 0.000 0.543 62 K N 0.934 121.365 120.400 0.051 0.000 2.007 62 K HA 0.125 4.445 4.320 -0.000 0.000 0.206 62 K C -0.630 175.990 176.600 0.032 0.000 1.047 62 K CA 0.802 57.115 56.287 0.043 0.000 0.937 62 K CB -1.032 31.490 32.500 0.037 0.000 0.718 62 K HN 0.533 nan 8.250 nan 0.000 0.438 63 P HA -0.220 nan 4.420 nan 0.000 0.216 63 P C 1.289 178.576 177.300 -0.021 0.000 1.153 63 P CA 1.473 64.580 63.100 0.011 0.000 0.858 63 P CB 0.009 31.718 31.700 0.016 0.000 0.789 64 L N -0.834 120.369 121.223 -0.034 0.000 2.083 64 L HA -0.137 4.202 4.340 -0.000 0.000 0.209 64 L C 2.787 179.572 176.870 -0.141 0.000 1.083 64 L CA 1.254 56.011 54.840 -0.138 0.000 0.752 64 L CB -0.848 41.176 42.059 -0.057 0.000 0.899 64 L HN -0.147 nan 8.230 nan 0.000 0.433 65 V N 0.048 119.969 119.914 0.013 0.000 2.295 65 V HA -0.297 3.823 4.120 -0.000 0.000 0.246 65 V C 2.365 178.497 176.094 0.063 0.000 1.049 65 V CA 1.636 63.982 62.300 0.077 0.000 1.024 65 V CB -0.365 31.507 31.823 0.081 0.000 0.648 65 V HN 0.344 nan 8.190 nan 0.000 0.447 66 L N -0.345 120.899 121.223 0.035 0.000 2.046 66 L HA -0.249 4.091 4.340 -0.000 0.000 0.208 66 L C 2.662 179.562 176.870 0.050 0.000 1.077 66 L CA 2.026 56.892 54.840 0.043 0.000 0.747 66 L CB -0.687 41.392 42.059 0.033 0.000 0.896 66 L HN 0.429 nan 8.230 nan 0.000 0.432 67 Q N -0.403 119.396 119.800 -0.000 0.000 2.002 67 Q HA -0.261 4.079 4.340 -0.000 0.000 0.204 67 Q C 2.347 178.404 176.000 0.096 0.000 0.988 67 Q CA 1.886 57.686 55.803 -0.005 0.000 0.843 67 Q CB -0.084 28.585 28.738 -0.114 0.000 0.908 67 Q HN 0.515 nan 8.270 nan 0.000 0.420 68 H N -0.075 119.082 119.070 0.146 0.000 2.352 68 H HA -0.113 4.443 4.556 -0.000 0.000 0.299 68 H C 2.047 177.556 175.328 0.302 0.000 1.097 68 H CA 1.494 57.681 56.048 0.232 0.000 1.311 68 H CB -0.710 29.192 29.762 0.233 0.000 1.377 68 H HN 0.496 nan 8.280 nan 0.000 0.504 69 A N 0.937 123.934 122.820 0.296 0.000 1.917 69 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 69 A C 2.423 180.141 177.584 0.223 0.000 1.182 69 A CA 2.063 54.215 52.037 0.193 0.000 0.633 69 A CB -0.554 18.500 19.000 0.090 0.000 0.819 69 A HN 0.571 nan 8.150 nan 0.000 0.448 70 E N -0.215 120.093 120.200 0.180 0.000 2.051 70 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 70 E C 2.199 178.903 176.600 0.173 0.000 0.991 70 E CA 1.315 57.803 56.400 0.148 0.000 0.799 70 E CB -0.107 29.655 29.700 0.104 0.000 0.748 70 E HN 0.573 nan 8.360 nan 0.000 0.449 71 S N 0.220 116.035 115.700 0.192 0.000 2.374 71 S HA -0.184 4.286 4.470 -0.000 0.000 0.227 71 S C 1.612 176.296 174.600 0.141 0.000 1.037 71 S CA 1.372 59.654 58.200 0.136 0.000 1.024 71 S CB -0.499 62.776 63.200 0.125 0.000 0.861 71 S HN 0.278 nan 8.310 nan 0.000 0.456 72 F N 1.866 121.913 119.950 0.162 0.000 2.095 72 F HA -0.094 4.433 4.527 -0.000 0.000 0.298 72 F C 2.594 178.536 175.800 0.237 0.000 1.104 72 F CA 1.275 59.414 58.000 0.231 0.000 1.232 72 F CB -0.283 38.747 39.000 0.050 0.000 0.987 72 F HN 0.057 nan 8.300 nan 0.000 0.475 73 R N -0.188 120.501 120.500 0.316 0.000 2.120 73 R HA -0.138 4.202 4.340 -0.000 0.000 0.234 73 R C 2.241 178.636 176.300 0.159 0.000 1.123 73 R CA 1.279 57.503 56.100 0.207 0.000 0.975 73 R CB -0.418 29.965 30.300 0.138 0.000 0.866 73 R HN 0.328 nan 8.270 nan 0.000 0.446 74 R N 0.351 120.928 120.500 0.129 0.000 2.073 74 R HA 0.022 4.362 4.340 -0.000 0.000 0.229 74 R C 2.091 178.409 176.300 0.030 0.000 1.120 74 R CA 0.963 57.104 56.100 0.067 0.000 0.967 74 R CB -0.053 30.275 30.300 0.046 0.000 0.862 74 R HN 0.180 nan 8.270 nan 0.000 0.436 75 L N -0.497 120.736 121.223 0.016 0.000 2.567 75 L HA 0.180 4.520 4.340 -0.000 0.000 0.225 75 L C -0.071 176.662 176.870 -0.227 0.000 1.119 75 L CA -0.121 54.646 54.840 -0.121 0.000 0.871 75 L CB 0.236 42.166 42.059 -0.215 0.000 1.036 75 L HN -0.025 nan 8.230 nan 0.000 0.459 76 F N 0.161 120.107 119.950 -0.007 0.000 2.420 76 F HA 0.222 4.749 4.527 -0.000 0.000 0.342 76 F C 0.797 176.610 175.800 0.021 0.000 1.113 76 F CA -0.791 57.222 58.000 0.022 0.000 1.059 76 F CB 0.914 39.970 39.000 0.092 0.000 1.128 76 F HN -0.174 nan 8.300 nan 0.000 0.475 77 N N 5.035 123.809 118.700 0.123 0.000 3.298 77 N HA 0.327 5.067 4.740 -0.000 0.000 0.292 77 N C -1.601 173.980 175.510 0.118 0.000 1.271 77 N CA 0.189 53.289 53.050 0.083 0.000 1.184 77 N CB -0.281 38.218 38.487 0.019 0.000 1.452 77 N HN 0.519 nan 8.380 nan 0.000 0.534 78 L N 0.688 121.997 121.223 0.143 0.000 2.371 78 L HA 0.613 4.953 4.340 -0.000 0.000 0.262 78 L C -2.105 174.805 176.870 0.067 0.000 1.006 78 L CA -2.457 52.445 54.840 0.102 0.000 0.818 78 L CB 2.004 44.129 42.059 0.111 0.000 1.354 78 L HN 0.138 nan 8.230 nan 0.000 0.415 79 P HA -0.009 nan 4.420 nan 0.000 0.260 79 P C -1.867 175.449 177.300 0.026 0.000 1.172 79 P CA -0.703 62.413 63.100 0.026 0.000 0.760 79 P CB 0.131 31.838 31.700 0.012 0.000 0.773 80 P HA -0.265 nan 4.420 nan 0.000 0.217 80 P C 1.047 178.357 177.300 0.017 0.000 1.148 80 P CA 1.653 64.773 63.100 0.033 0.000 0.834 80 P CB 0.050 31.769 31.700 0.033 0.000 0.783 81 E N 0.985 121.189 120.200 0.007 0.000 2.482 81 E HA -0.114 4.236 4.350 -0.000 0.000 0.196 81 E C 1.314 177.900 176.600 -0.023 0.000 1.047 81 E CA 0.730 57.128 56.400 -0.003 0.000 0.869 81 E CB -0.482 29.218 29.700 -0.000 0.000 0.836 81 E HN 0.291 nan 8.360 nan 0.000 0.520 82 K N 0.547 120.929 120.400 -0.030 0.000 2.444 82 K HA 0.194 4.514 4.320 -0.000 0.000 0.193 82 K C 0.077 176.618 176.600 -0.099 0.000 1.024 82 K CA -0.033 56.216 56.287 -0.064 0.000 1.077 82 K CB 0.596 33.063 32.500 -0.055 0.000 0.833 82 K HN 0.100 nan 8.250 nan 0.000 0.517 83 I N 2.313 122.840 120.570 -0.072 0.000 2.405 83 I HA 0.189 4.359 4.170 -0.000 0.000 0.280 83 I C -0.315 175.754 176.117 -0.079 0.000 1.027 83 I CA -0.638 60.602 61.300 -0.099 0.000 1.161 83 I CB 1.082 39.069 38.000 -0.022 0.000 1.300 83 I HN -0.298 nan 8.210 nan 0.000 0.463 84 V N 4.706 124.550 119.914 -0.116 0.000 2.630 84 V HA 0.753 4.873 4.120 -0.000 0.000 0.305 84 V C 0.424 176.483 176.094 -0.058 0.000 1.046 84 V CA -0.776 61.484 62.300 -0.067 0.000 0.934 84 V CB 1.976 33.767 31.823 -0.053 0.000 1.003 84 V HN 0.779 nan 8.190 nan 0.000 0.451 85 A N 4.993 127.806 122.820 -0.012 0.000 2.285 85 A HA 0.770 5.090 4.320 -0.000 0.000 0.310 85 A C -0.705 176.896 177.584 0.029 0.000 1.266 85 A CA -0.427 51.614 52.037 0.007 0.000 0.832 85 A CB 0.307 19.320 19.000 0.022 0.000 1.163 85 A HN 0.806 nan 8.150 nan 0.000 0.499 86 L N 3.486 124.736 121.223 0.043 0.000 2.314 86 L HA 0.253 4.593 4.340 -0.000 0.000 0.275 86 L C 1.528 178.429 176.870 0.052 0.000 1.068 86 L CA -0.248 54.628 54.840 0.059 0.000 0.894 86 L CB 0.988 43.104 42.059 0.095 0.000 1.275 86 L HN 0.864 nan 8.230 nan 0.000 0.432 87 T N 0.243 114.823 114.554 0.043 0.000 3.067 87 T HA 0.067 4.417 4.350 -0.000 0.000 0.261 87 T C 1.329 176.049 174.700 0.034 0.000 1.110 87 T CA 0.890 63.015 62.100 0.040 0.000 1.113 87 T CB 0.005 68.895 68.868 0.036 0.000 0.917 87 T HN 0.884 nan 8.240 nan 0.000 0.499 88 G N 0.989 109.808 108.800 0.031 0.000 2.140 88 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.211 88 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.211 88 G C 0.283 175.195 174.900 0.019 0.000 1.013 88 G CA 0.321 45.434 45.100 0.022 0.000 0.705 88 G HN 0.594 nan 8.290 nan 0.000 0.508 89 E N -0.528 119.685 120.200 0.022 0.000 2.511 89 E HA 0.132 4.482 4.350 -0.000 0.000 0.209 89 E C 1.154 177.765 176.600 0.018 0.000 0.986 89 E CA -0.109 56.302 56.400 0.019 0.000 0.974 89 E CB 0.602 30.314 29.700 0.020 0.000 1.030 89 E HN 0.501 nan 8.360 nan 0.000 0.490 90 K N 1.536 121.948 120.400 0.021 0.000 2.107 90 K HA 0.211 4.531 4.320 -0.000 0.000 0.251 90 K C 0.276 176.887 176.600 0.017 0.000 1.012 90 K CA -0.329 55.971 56.287 0.021 0.000 0.920 90 K CB 1.002 33.519 32.500 0.028 0.000 1.033 90 K HN -0.043 nan 8.250 nan 0.000 0.478 91 S N 0.952 116.662 115.700 0.016 0.000 2.549 91 S HA 0.048 4.518 4.470 -0.000 0.000 0.286 91 S C -1.980 172.627 174.600 0.012 0.000 1.314 91 S CA -1.042 57.166 58.200 0.013 0.000 1.062 91 S CB 0.719 63.927 63.200 0.012 0.000 0.865 91 S HN 0.333 nan 8.310 nan 0.000 0.498 92 P HA -0.185 nan 4.420 nan 0.000 0.219 92 P C 1.261 178.563 177.300 0.004 0.000 1.145 92 P CA 1.482 64.583 63.100 0.001 0.000 0.813 92 P CB 0.132 31.829 31.700 -0.005 0.000 0.771 93 E N -0.169 120.037 120.200 0.009 0.000 2.042 93 E HA -0.153 4.197 4.350 -0.000 0.000 0.189 93 E C 1.818 178.433 176.600 0.026 0.000 0.974 93 E CA 0.715 57.123 56.400 0.014 0.000 0.806 93 E CB -0.229 29.479 29.700 0.013 0.000 0.769 93 E HN 0.204 nan 8.360 nan 0.000 0.451 94 E N 0.482 120.698 120.200 0.026 0.000 2.097 94 E HA -0.220 4.130 4.350 -0.000 0.000 0.196 94 E C 2.300 178.930 176.600 0.050 0.000 1.000 94 E CA 0.952 57.373 56.400 0.034 0.000 0.804 94 E CB -0.066 29.652 29.700 0.029 0.000 0.740 94 E HN 0.190 nan 8.360 nan 0.000 0.454 95 R N 0.295 120.824 120.500 0.048 0.000 2.083 95 R HA -0.115 4.225 4.340 -0.000 0.000 0.237 95 R C 2.518 178.884 176.300 0.110 0.000 1.137 95 R CA 1.502 57.645 56.100 0.071 0.000 0.951 95 R CB -0.282 30.044 30.300 0.044 0.000 0.851 95 R HN 0.050 nan 8.270 nan 0.000 0.434 96 S N 0.615 116.358 115.700 0.072 0.000 2.423 96 S HA -0.108 4.362 4.470 -0.000 0.000 0.231 96 S C 1.747 176.427 174.600 0.132 0.000 1.014 96 S CA 1.020 59.273 58.200 0.088 0.000 0.965 96 S CB 0.006 63.222 63.200 0.027 0.000 0.785 96 S HN 0.292 nan 8.310 nan 0.000 0.495 97 K N 1.514 121.969 120.400 0.091 0.000 2.062 97 K HA 0.039 4.359 4.320 -0.000 0.000 0.205 97 K C 2.186 178.834 176.600 0.080 0.000 1.051 97 K CA 1.050 57.382 56.287 0.074 0.000 0.941 97 K CB -0.310 32.218 32.500 0.047 0.000 0.719 97 K HN 0.268 nan 8.250 nan 0.000 0.440 98 A N 1.359 124.232 122.820 0.088 0.000 1.841 98 A HA -0.191 4.129 4.320 -0.000 0.000 0.214 98 A C 2.025 179.658 177.584 0.081 0.000 1.195 98 A CA 1.291 53.368 52.037 0.067 0.000 0.611 98 A CB -1.317 17.722 19.000 0.065 0.000 0.835 98 A HN 0.737 nan 8.150 nan 0.000 0.443 99 W N 1.174 122.459 121.300 -0.026 0.000 2.331 99 W HA -0.249 4.411 4.660 -0.000 0.000 0.291 99 W C 2.131 178.634 176.519 -0.027 0.000 1.214 99 W CA 2.239 59.565 57.345 -0.032 0.000 1.228 99 W CB -0.425 29.020 29.460 -0.026 0.000 1.135 99 W HN 0.440 nan 8.180 nan 0.000 0.537 100 A N 1.851 124.786 122.820 0.191 0.000 1.845 100 A HA -0.257 4.063 4.320 -0.000 0.000 0.215 100 A C 2.144 179.717 177.584 -0.019 0.000 1.195 100 A CA 2.502 54.605 52.037 0.111 0.000 0.616 100 A CB -1.107 17.956 19.000 0.105 0.000 0.832 100 A HN 0.383 nan 8.150 nan 0.000 0.443 101 R N 0.170 120.655 120.500 -0.027 0.000 2.240 101 R HA 0.280 4.620 4.340 -0.000 0.000 0.203 101 R C 0.776 177.014 176.300 -0.105 0.000 1.011 101 R CA 0.876 56.944 56.100 -0.053 0.000 1.007 101 R CB -1.014 29.271 30.300 -0.025 0.000 0.911 101 R HN 0.357 nan 8.270 nan 0.000 0.468 102 A N 1.917 124.642 122.820 -0.159 0.000 2.498 102 A HA 0.089 4.409 4.320 -0.000 0.000 0.239 102 A C 0.683 178.103 177.584 -0.274 0.000 1.068 102 A CA 0.006 51.912 52.037 -0.219 0.000 0.766 102 A CB 0.421 19.255 19.000 -0.276 0.000 1.003 102 A HN 0.404 nan 8.150 nan 0.000 0.497 103 K N 0.700 120.960 120.400 -0.234 0.000 2.367 103 K HA 0.377 4.697 4.320 -0.000 0.000 0.195 103 K C -0.731 175.695 176.600 -0.291 0.000 1.060 103 K CA 0.402 56.554 56.287 -0.225 0.000 1.022 103 K CB 0.533 32.947 32.500 -0.144 0.000 0.894 103 K HN 0.500 nan 8.250 nan 0.000 0.540 104 V N 1.938 121.650 119.914 -0.337 0.000 2.733 104 V HA 0.362 4.482 4.120 -0.000 0.000 0.306 104 V C -1.471 174.365 176.094 -0.430 0.000 1.084 104 V CA -1.053 60.984 62.300 -0.439 0.000 0.905 104 V CB 1.841 33.344 31.823 -0.533 0.000 1.010 104 V HN 0.118 nan 8.190 nan 0.000 0.424 105 I N 5.538 125.836 120.570 -0.455 0.000 2.534 105 I HA 0.781 4.951 4.170 -0.000 0.000 0.288 105 I C -1.275 174.664 176.117 -0.295 0.000 1.077 105 I CA -0.286 60.813 61.300 -0.336 0.000 1.051 105 I CB 2.132 39.942 38.000 -0.317 0.000 1.234 105 I HN 0.298 nan 8.210 nan 0.000 0.425 106 V N 7.353 127.138 119.914 -0.215 0.000 2.417 106 V HA 0.998 5.118 4.120 -0.000 0.000 0.291 106 V C 0.215 176.299 176.094 -0.017 0.000 1.024 106 V CA 0.174 62.393 62.300 -0.134 0.000 0.861 106 V CB 0.707 32.470 31.823 -0.100 0.000 0.985 106 V HN 1.123 nan 8.190 nan 0.000 0.436 107 A N 3.231 126.065 122.820 0.024 0.000 2.588 107 A HA 0.890 5.210 4.320 -0.000 0.000 0.290 107 A C -0.183 177.459 177.584 0.096 0.000 1.136 107 A CA -0.288 51.788 52.037 0.065 0.000 0.681 107 A CB 1.707 20.756 19.000 0.080 0.000 1.282 107 A HN 0.847 nan 8.150 nan 0.000 0.421 108 T N -0.388 114.223 114.554 0.094 0.000 2.910 108 T HA 0.518 4.868 4.350 -0.000 0.000 0.293 108 T C -1.499 173.268 174.700 0.111 0.000 1.015 108 T CA -1.003 61.164 62.100 0.112 0.000 1.094 108 T CB 1.236 70.148 68.868 0.072 0.000 0.968 108 T HN 0.398 nan 8.240 nan 0.000 0.521 109 P HA -0.167 nan 4.420 nan 0.000 0.218 109 P C 1.363 178.677 177.300 0.022 0.000 1.149 109 P CA 1.079 64.267 63.100 0.146 0.000 0.817 109 P CB 0.166 31.973 31.700 0.178 0.000 0.785 110 Q N 0.190 119.961 119.800 -0.048 0.000 1.935 110 Q HA -0.198 4.142 4.340 -0.000 0.000 0.212 110 Q C 2.323 178.317 176.000 -0.009 0.000 1.008 110 Q CA 2.312 58.081 55.803 -0.057 0.000 0.868 110 Q CB -2.327 26.381 28.738 -0.050 0.000 0.946 110 Q HN 0.244 nan 8.270 nan 0.000 0.418 111 T N 0.731 115.289 114.554 0.006 0.000 2.665 111 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 111 T C 1.934 176.637 174.700 0.005 0.000 1.035 111 T CA 1.393 63.497 62.100 0.007 0.000 1.151 111 T CB -0.226 68.653 68.868 0.018 0.000 0.862 111 T HN 0.146 nan 8.240 nan 0.000 0.438 112 I N 1.235 121.818 120.570 0.021 0.000 2.423 112 I HA -0.035 4.135 4.170 -0.000 0.000 0.254 112 I C 2.355 178.484 176.117 0.020 0.000 1.151 112 I CA 1.364 62.662 61.300 -0.004 0.000 1.421 112 I CB -0.569 37.449 38.000 0.029 0.000 1.079 112 I HN 0.507 nan 8.210 nan 0.000 0.431 113 E N 0.127 120.379 120.200 0.086 0.000 2.028 113 E HA -0.219 4.131 4.350 -0.000 0.000 0.190 113 E C 1.943 178.619 176.600 0.126 0.000 0.984 113 E CA 1.185 57.710 56.400 0.208 0.000 0.800 113 E CB 0.015 29.825 29.700 0.183 0.000 0.758 113 E HN 0.427 nan 8.360 nan 0.000 0.448 114 N N 1.390 120.108 118.700 0.030 0.000 2.000 114 N HA -0.191 4.549 4.740 -0.000 0.000 0.198 114 N C 1.315 176.814 175.510 -0.017 0.000 1.057 114 N CA 1.946 54.991 53.050 -0.009 0.000 0.858 114 N CB -0.636 37.838 38.487 -0.022 0.000 1.057 114 N HN 0.190 nan 8.380 nan 0.000 0.423 115 D N -0.589 119.783 120.400 -0.046 0.000 2.354 115 D HA -0.092 4.548 4.640 -0.000 0.000 0.216 115 D C 1.578 177.811 176.300 -0.112 0.000 0.970 115 D CA 0.288 54.232 54.000 -0.094 0.000 0.905 115 D CB -0.085 40.628 40.800 -0.146 0.000 0.903 115 D HN 0.119 nan 8.370 nan 0.000 0.508 116 L N -0.309 120.885 121.223 -0.049 0.000 2.162 116 L HA 0.094 4.434 4.340 -0.000 0.000 0.205 116 L C 1.717 178.632 176.870 0.074 0.000 1.086 116 L CA 1.091 55.922 54.840 -0.016 0.000 0.778 116 L CB -0.136 41.957 42.059 0.056 0.000 0.928 116 L HN 0.072 nan 8.230 nan 0.000 0.446 117 L N -1.055 120.228 121.223 0.101 0.000 2.007 117 L HA -0.062 4.278 4.340 -0.000 0.000 0.205 117 L C 2.530 179.406 176.870 0.009 0.000 1.073 117 L CA 1.068 55.946 54.840 0.063 0.000 0.744 117 L CB -0.936 41.111 42.059 -0.020 0.000 0.898 117 L HN 0.225 nan 8.230 nan 0.000 0.435 118 A N -0.005 122.806 122.820 -0.015 0.000 2.194 118 A HA -0.086 4.234 4.320 -0.000 0.000 0.220 118 A C 1.813 179.379 177.584 -0.030 0.000 1.162 118 A CA 1.306 53.327 52.037 -0.026 0.000 0.674 118 A CB -1.036 17.944 19.000 -0.034 0.000 0.789 118 A HN 0.687 nan 8.150 nan 0.000 0.470 119 G N -1.505 107.274 108.800 -0.035 0.000 2.143 119 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.248 119 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.248 119 G C 0.866 175.724 174.900 -0.069 0.000 0.991 119 G CA 0.677 45.751 45.100 -0.043 0.000 0.689 119 G HN 0.629 nan 8.290 nan 0.000 0.522 120 R N -0.272 120.171 120.500 -0.097 0.000 2.153 120 R HA 0.285 4.625 4.340 -0.000 0.000 0.218 120 R C 1.518 177.699 176.300 -0.197 0.000 1.072 120 R CA 1.458 57.489 56.100 -0.114 0.000 0.990 120 R CB 0.026 30.262 30.300 -0.105 0.000 0.889 120 R HN 0.788 nan 8.270 nan 0.000 0.452 121 I N -3.881 116.503 120.570 -0.311 0.000 2.769 121 I HA 0.480 4.650 4.170 -0.000 0.000 0.298 121 I C -1.021 174.862 176.117 -0.390 0.000 1.128 121 I CA -1.022 59.936 61.300 -0.569 0.000 1.031 121 I CB 2.554 39.801 38.000 -1.255 0.000 1.235 121 I HN -0.300 nan 8.210 nan 0.000 0.423 122 S N 5.160 120.712 115.700 -0.246 0.000 2.647 122 S HA 0.532 5.002 4.470 -0.000 0.000 0.300 122 S C -0.275 174.414 174.600 0.148 0.000 1.129 122 S CA -0.881 57.292 58.200 -0.044 0.000 1.029 122 S CB 1.311 64.520 63.200 0.016 0.000 1.007 122 S HN 0.755 nan 8.310 nan 0.000 0.484 123 L N 3.038 124.346 121.223 0.141 0.000 2.796 123 L HA 0.555 4.895 4.340 -0.000 0.000 0.235 123 L C 0.416 177.405 176.870 0.199 0.000 1.344 123 L CA -0.345 54.678 54.840 0.306 0.000 1.245 123 L CB -0.757 41.497 42.059 0.326 0.000 1.556 123 L HN 0.578 nan 8.230 nan 0.000 0.423 124 E N -1.653 118.629 120.200 0.137 0.000 2.389 124 E HA 0.014 4.364 4.350 -0.000 0.000 0.199 124 E C 0.482 177.108 176.600 0.042 0.000 0.978 124 E CA 0.016 56.440 56.400 0.039 0.000 0.912 124 E CB 0.214 29.927 29.700 0.021 0.000 0.907 124 E HN 0.353 nan 8.360 nan 0.000 0.494 125 D N 0.701 121.158 120.400 0.094 0.000 2.349 125 D HA 0.066 4.706 4.640 -0.000 0.000 0.214 125 D C -0.368 175.966 176.300 0.055 0.000 1.063 125 D CA 0.072 54.106 54.000 0.058 0.000 0.847 125 D CB 0.761 41.590 40.800 0.049 0.000 0.933 125 D HN -0.012 nan 8.370 nan 0.000 0.513 126 V N 2.324 122.316 119.914 0.131 0.000 2.370 126 V HA -0.003 4.117 4.120 -0.000 0.000 0.257 126 V C 1.470 177.676 176.094 0.186 0.000 1.064 126 V CA 0.101 62.488 62.300 0.145 0.000 0.975 126 V CB 0.753 32.735 31.823 0.265 0.000 1.067 126 V HN 0.117 nan 8.190 nan 0.000 0.485 127 S N 4.561 120.307 115.700 0.075 0.000 2.561 127 S HA 0.215 4.685 4.470 -0.000 0.000 0.225 127 S C 0.091 174.743 174.600 0.088 0.000 0.977 127 S CA 0.020 58.254 58.200 0.057 0.000 0.926 127 S CB -0.138 63.107 63.200 0.076 0.000 0.769 127 S HN 0.597 nan 8.310 nan 0.000 0.533 128 L N -0.310 120.948 121.223 0.058 0.000 2.643 128 L HA 0.565 4.905 4.340 -0.000 0.000 0.257 128 L C -2.088 174.652 176.870 -0.217 0.000 0.922 128 L CA -0.516 54.311 54.840 -0.021 0.000 0.909 128 L CB 1.449 43.521 42.059 0.022 0.000 1.424 128 L HN 0.109 nan 8.230 nan 0.000 0.422 129 I N 4.981 125.322 120.570 -0.381 0.000 2.465 129 I HA 0.592 4.762 4.170 -0.000 0.000 0.291 129 I C -0.949 174.888 176.117 -0.467 0.000 1.014 129 I CA -1.034 59.913 61.300 -0.588 0.000 1.093 129 I CB 2.156 39.566 38.000 -0.983 0.000 1.267 129 I HN 0.333 nan 8.210 nan 0.000 0.431 130 V N 6.675 126.300 119.914 -0.481 0.000 2.409 130 V HA 0.377 4.497 4.120 -0.000 0.000 0.291 130 V C -0.716 175.107 176.094 -0.452 0.000 1.020 130 V CA -0.499 61.621 62.300 -0.300 0.000 0.848 130 V CB 1.513 33.258 31.823 -0.130 0.000 0.990 130 V HN 0.376 nan 8.190 nan 0.000 0.430 131 F N 2.762 122.589 119.950 -0.205 0.000 2.334 131 F HA 0.387 4.914 4.527 -0.000 0.000 0.367 131 F C 0.534 176.274 175.800 -0.101 0.000 1.115 131 F CA -0.533 57.269 58.000 -0.329 0.000 1.116 131 F CB 0.890 39.567 39.000 -0.538 0.000 1.230 131 F HN 0.428 nan 8.300 nan 0.000 0.484 132 D N 3.006 123.502 120.400 0.159 0.000 2.350 132 D HA 0.078 4.718 4.640 -0.000 0.000 0.249 132 D C 0.349 176.850 176.300 0.335 0.000 1.119 132 D CA 0.492 54.632 54.000 0.234 0.000 0.886 132 D CB 0.513 41.471 40.800 0.264 0.000 1.195 132 D HN 0.680 nan 8.370 nan 0.000 0.437 133 E N 1.261 121.646 120.200 0.309 0.000 2.513 133 E HA -0.285 4.065 4.350 -0.000 0.000 0.257 133 E C 0.736 177.425 176.600 0.148 0.000 1.098 133 E CA 0.427 57.018 56.400 0.319 0.000 0.752 133 E CB -1.379 28.452 29.700 0.217 0.000 1.324 133 E HN 0.532 nan 8.360 nan 0.000 0.403 134 A N 0.248 123.219 122.820 0.251 0.000 2.093 134 A HA -0.271 4.049 4.320 -0.000 0.000 0.222 134 A C 1.653 179.275 177.584 0.065 0.000 1.162 134 A CA 2.074 54.203 52.037 0.152 0.000 0.655 134 A CB -0.981 18.079 19.000 0.101 0.000 0.805 134 A HN 0.735 nan 8.150 nan 0.000 0.461 135 H N -0.387 118.730 119.070 0.077 0.000 2.489 135 H HA -0.056 4.500 4.556 -0.000 0.000 0.293 135 H C 1.610 176.931 175.328 -0.012 0.000 1.066 135 H CA 1.055 57.120 56.048 0.029 0.000 1.305 135 H CB -0.277 29.497 29.762 0.021 0.000 1.386 135 H HN 0.643 nan 8.280 nan 0.000 0.551 136 R N 1.238 121.392 120.500 -0.577 0.000 2.423 136 R HA 0.381 4.721 4.340 -0.000 0.000 0.248 136 R C 0.096 176.178 176.300 -0.363 0.000 1.019 136 R CA 0.373 56.138 56.100 -0.559 0.000 1.119 136 R CB 0.158 29.909 30.300 -0.915 0.000 1.176 136 R HN 0.300 nan 8.270 nan 0.000 0.526 137 A N 1.517 124.312 122.820 -0.041 0.000 3.260 137 A HA 0.386 4.706 4.320 -0.000 0.000 0.268 137 A C 0.170 177.783 177.584 0.048 0.000 1.491 137 A CA -0.548 51.565 52.037 0.126 0.000 1.181 137 A CB -0.121 18.918 19.000 0.064 0.000 1.137 137 A HN 0.293 nan 8.150 nan 0.000 0.642 138 V N -3.365 116.565 119.914 0.028 0.000 3.074 138 V HA 0.954 5.074 4.120 -0.000 0.000 0.314 138 V C 1.027 177.156 176.094 0.059 0.000 1.117 138 V CA -0.163 62.156 62.300 0.031 0.000 1.014 138 V CB 0.693 32.519 31.823 0.006 0.000 1.057 138 V HN 1.669 nan 8.190 nan 0.000 0.438 139 G N 1.818 110.648 108.800 0.051 0.000 2.672 139 G HA2 -0.449 3.511 3.960 -0.000 0.000 0.332 139 G HA3 -0.449 3.511 3.960 -0.000 0.000 0.332 139 G C 0.917 175.861 174.900 0.074 0.000 1.213 139 G CA 1.492 46.625 45.100 0.054 0.000 0.980 139 G HN 1.122 nan 8.290 nan 0.000 0.548 140 N N -1.721 117.028 118.700 0.082 0.000 2.336 140 N HA 0.052 4.792 4.740 -0.000 0.000 0.177 140 N C 0.848 176.420 175.510 0.104 0.000 1.018 140 N CA -0.007 53.088 53.050 0.076 0.000 0.878 140 N CB 0.122 38.639 38.487 0.050 0.000 0.997 140 N HN 0.441 nan 8.380 nan 0.000 0.433 141 Y N 1.505 121.798 120.300 -0.012 0.000 3.167 141 Y HA -0.243 4.307 4.550 -0.000 0.000 0.354 141 Y C 1.353 177.277 175.900 0.041 0.000 1.253 141 Y CA 0.239 58.316 58.100 -0.039 0.000 1.580 141 Y CB 0.418 38.809 38.460 -0.116 0.000 1.164 141 Y HN 0.130 nan 8.280 nan 0.000 0.617 142 A N 5.806 128.343 122.820 -0.473 0.000 2.084 142 A HA -0.240 4.080 4.320 -0.000 0.000 0.221 142 A C 2.008 179.709 177.584 0.195 0.000 1.161 142 A CA 1.749 53.711 52.037 -0.126 0.000 0.653 142 A CB -1.078 17.784 19.000 -0.229 0.000 0.802 142 A HN 0.994 nan 8.150 nan 0.000 0.457 143 Y N -1.401 118.959 120.300 0.100 0.000 2.070 143 Y HA -0.257 4.293 4.550 0.000 0.000 0.280 143 Y C 2.726 178.679 175.900 0.088 0.000 1.148 143 Y CA 1.008 59.245 58.100 0.228 0.000 1.125 143 Y CB -0.441 38.178 38.460 0.266 0.000 0.975 143 Y HN 0.233 nan 8.280 nan 0.000 0.492 144 V N 0.420 120.492 119.914 0.264 0.000 2.370 144 V HA -0.342 3.778 4.120 -0.000 0.000 0.252 144 V C 2.049 178.246 176.094 0.171 0.000 1.068 144 V CA 2.162 64.548 62.300 0.143 0.000 1.061 144 V CB -0.730 31.176 31.823 0.138 0.000 0.656 144 V HN 0.459 nan 8.190 nan 0.000 0.455 145 F N 0.918 120.920 119.950 0.087 0.000 2.060 145 F HA -0.101 4.426 4.527 0.000 0.000 0.295 145 F C 2.044 177.907 175.800 0.105 0.000 1.120 145 F CA 2.163 60.205 58.000 0.071 0.000 1.205 145 F CB -0.655 38.370 39.000 0.042 0.000 0.986 145 F HN 0.197 nan 8.300 nan 0.000 0.470 146 I N 0.918 121.374 120.570 -0.191 0.000 2.194 146 I HA -0.363 3.807 4.170 -0.000 0.000 0.246 146 I C 2.725 178.824 176.117 -0.029 0.000 1.093 146 I CA 1.392 62.560 61.300 -0.220 0.000 1.355 146 I CB -1.270 36.794 38.000 0.106 0.000 1.046 146 I HN 0.301 nan 8.210 nan 0.000 0.413 147 A N 0.787 123.664 122.820 0.095 0.000 1.908 147 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 147 A C 2.496 180.127 177.584 0.078 0.000 1.181 147 A CA 1.923 54.032 52.037 0.119 0.000 0.627 147 A CB -0.682 18.277 19.000 -0.069 0.000 0.818 147 A HN 0.371 nan 8.150 nan 0.000 0.445 148 R N -0.672 119.825 120.500 -0.005 0.000 2.070 148 R HA -0.142 4.198 4.340 -0.000 0.000 0.233 148 R C 2.093 178.363 176.300 -0.050 0.000 1.137 148 R CA 1.554 57.650 56.100 -0.008 0.000 0.945 148 R CB -0.240 30.078 30.300 0.029 0.000 0.845 148 R HN 0.485 nan 8.270 nan 0.000 0.430 149 E N 0.055 120.140 120.200 -0.193 0.000 2.033 149 E HA -0.256 4.094 4.350 -0.000 0.000 0.199 149 E C 1.756 178.329 176.600 -0.044 0.000 1.011 149 E CA 1.429 57.720 56.400 -0.181 0.000 0.815 149 E CB -0.798 28.666 29.700 -0.394 0.000 0.755 149 E HN 0.386 nan 8.360 nan 0.000 0.451 150 Y N 1.944 122.176 120.300 -0.113 0.000 2.040 150 Y HA -0.308 4.242 4.550 -0.000 0.000 0.275 150 Y C 2.476 178.357 175.900 -0.031 0.000 1.171 150 Y CA 2.509 60.581 58.100 -0.046 0.000 1.123 150 Y CB -0.329 38.130 38.460 -0.001 0.000 0.963 150 Y HN -0.023 nan 8.280 nan 0.000 0.493 151 K N 0.156 120.574 120.400 0.029 0.000 2.293 151 K HA -0.264 4.056 4.320 -0.000 0.000 0.204 151 K C 1.990 178.520 176.600 -0.116 0.000 1.045 151 K CA 2.022 58.276 56.287 -0.055 0.000 0.933 151 K CB -0.141 32.376 32.500 0.027 0.000 0.736 151 K HN 0.615 nan 8.250 nan 0.000 0.463 152 R N -0.632 119.805 120.500 -0.104 0.000 2.287 152 R HA 0.018 4.358 4.340 -0.000 0.000 0.197 152 R C 1.359 177.595 176.300 -0.106 0.000 0.900 152 R CA 0.284 56.332 56.100 -0.087 0.000 1.052 152 R CB -0.028 30.246 30.300 -0.044 0.000 1.117 152 R HN 0.207 nan 8.270 nan 0.000 0.568 153 Q N 0.851 120.576 119.800 -0.126 0.000 2.189 153 Q HA 0.452 4.792 4.340 -0.000 0.000 0.221 153 Q C -0.720 175.189 176.000 -0.152 0.000 0.848 153 Q CA -0.386 55.353 55.803 -0.106 0.000 1.007 153 Q CB 1.324 30.028 28.738 -0.057 0.000 1.116 153 Q HN 0.264 nan 8.270 nan 0.000 0.481 154 A N 0.998 123.647 122.820 -0.285 0.000 2.318 154 A HA 0.394 4.714 4.320 -0.000 0.000 0.324 154 A C 0.281 177.716 177.584 -0.249 0.000 1.170 154 A CA -0.747 51.078 52.037 -0.354 0.000 0.810 154 A CB 1.155 19.615 19.000 -0.899 0.000 1.198 154 A HN 0.293 nan 8.150 nan 0.000 0.484 155 K N 1.351 121.657 120.400 -0.156 0.000 1.985 155 K HA -0.138 4.182 4.320 -0.000 0.000 0.210 155 K C -0.313 176.194 176.600 -0.155 0.000 1.047 155 K CA 1.882 58.099 56.287 -0.116 0.000 0.932 155 K CB -0.159 32.303 32.500 -0.063 0.000 0.716 155 K HN 0.787 nan 8.250 nan 0.000 0.439 156 N N 1.642 120.225 118.700 -0.194 0.000 2.626 156 N HA 0.196 4.936 4.740 -0.000 0.000 0.249 156 N C -2.786 172.571 175.510 -0.256 0.000 1.021 156 N CA -1.310 51.562 53.050 -0.297 0.000 0.886 156 N CB 1.562 39.727 38.487 -0.535 0.000 1.149 156 N HN 0.062 nan 8.380 nan 0.000 0.517 157 P HA 0.314 nan 4.420 nan 0.000 0.288 157 P C -0.970 176.368 177.300 0.062 0.000 1.267 157 P CA -0.500 62.525 63.100 -0.125 0.000 0.815 157 P CB 1.848 33.341 31.700 -0.345 0.000 0.989 158 L N 2.726 124.116 121.223 0.277 0.000 2.562 158 L HA 0.363 4.703 4.340 -0.000 0.000 0.266 158 L C -1.414 175.560 176.870 0.173 0.000 0.949 158 L CA -0.917 54.024 54.840 0.168 0.000 0.879 158 L CB 2.334 44.454 42.059 0.101 0.000 1.278 158 L HN 0.071 nan 8.230 nan 0.000 0.404 159 V N 5.855 125.861 119.914 0.154 0.000 2.409 159 V HA 0.504 4.624 4.120 -0.000 0.000 0.291 159 V C -0.235 175.924 176.094 0.109 0.000 1.020 159 V CA -0.454 61.928 62.300 0.136 0.000 0.848 159 V CB 1.887 33.829 31.823 0.198 0.000 0.990 159 V HN 0.412 nan 8.190 nan 0.000 0.430 160 I N 4.510 125.138 120.570 0.096 0.000 2.418 160 I HA 0.550 4.720 4.170 -0.000 0.000 0.287 160 I C 0.573 176.768 176.117 0.129 0.000 1.008 160 I CA -0.134 61.217 61.300 0.085 0.000 1.104 160 I CB 1.671 39.705 38.000 0.056 0.000 1.264 160 I HN 0.668 nan 8.210 nan 0.000 0.438 161 G N 7.102 115.971 108.800 0.115 0.000 2.416 161 G HA2 0.704 4.664 3.960 -0.000 0.000 0.324 161 G HA3 0.704 4.664 3.960 -0.000 0.000 0.324 161 G C -0.834 174.128 174.900 0.104 0.000 1.194 161 G CA -0.459 44.719 45.100 0.131 0.000 0.922 161 G HN 0.445 nan 8.290 nan 0.000 0.467 162 L N 1.622 122.922 121.223 0.129 0.000 2.307 162 L HA 0.799 5.139 4.340 -0.000 0.000 0.284 162 L C 0.276 177.250 176.870 0.173 0.000 1.023 162 L CA -0.642 54.273 54.840 0.126 0.000 0.810 162 L CB 2.233 44.360 42.059 0.113 0.000 1.231 162 L HN 0.568 nan 8.230 nan 0.000 0.423 163 T N 0.628 115.271 114.554 0.148 0.000 2.886 163 T HA 0.458 4.807 4.350 -0.000 0.000 0.330 163 T C 0.055 174.793 174.700 0.064 0.000 1.488 163 T CA 0.181 62.376 62.100 0.158 0.000 1.054 163 T CB 1.651 70.650 68.868 0.218 0.000 1.348 163 T HN 0.606 nan 8.240 nan 0.000 0.489 164 A N 1.939 124.747 122.820 -0.019 0.000 2.251 164 A HA 0.630 4.950 4.320 -0.000 0.000 0.209 164 A C 0.762 178.304 177.584 -0.070 0.000 1.187 164 A CA 0.724 52.736 52.037 -0.041 0.000 0.823 164 A CB -0.338 18.626 19.000 -0.060 0.000 0.846 164 A HN 1.333 nan 8.150 nan 0.000 0.486 165 S N -1.074 114.576 115.700 -0.083 0.000 2.679 165 S HA 0.244 4.714 4.470 -0.000 0.000 0.326 165 S C -2.790 171.800 174.600 -0.015 0.000 0.851 165 S CA -0.165 58.004 58.200 -0.052 0.000 0.787 165 S CB 1.036 64.177 63.200 -0.099 0.000 1.027 165 S HN 0.006 nan 8.310 nan 0.000 0.496 166 P HA 0.282 nan 4.420 nan 0.000 0.230 166 P C 0.793 178.156 177.300 0.104 0.000 1.158 166 P CA 1.243 64.415 63.100 0.121 0.000 0.769 166 P CB -0.152 31.621 31.700 0.122 0.000 0.807 167 G N -0.755 108.081 108.800 0.060 0.000 2.356 167 G HA2 0.177 4.137 3.960 -0.000 0.000 0.300 167 G HA3 0.177 4.137 3.960 -0.000 0.000 0.300 167 G C 0.074 174.983 174.900 0.016 0.000 1.331 167 G CA 0.180 45.307 45.100 0.045 0.000 0.905 167 G HN -0.020 nan 8.290 nan 0.000 0.587 168 S N -1.964 113.742 115.700 0.009 0.000 2.559 168 S HA 0.432 4.902 4.470 -0.000 0.000 0.226 168 S C 0.710 175.310 174.600 -0.000 0.000 1.030 168 S CA 0.915 59.112 58.200 -0.005 0.000 0.956 168 S CB 0.889 64.082 63.200 -0.011 0.000 0.900 168 S HN 0.790 nan 8.310 nan 0.000 0.510 169 T N 3.650 118.210 114.554 0.009 0.000 2.855 169 T HA 0.472 4.822 4.350 -0.000 0.000 0.281 169 T C -2.199 172.511 174.700 0.015 0.000 1.007 169 T CA -1.551 60.554 62.100 0.009 0.000 1.009 169 T CB 1.842 70.716 68.868 0.010 0.000 0.983 169 T HN -0.160 nan 8.240 nan 0.000 0.455 170 P HA -0.097 nan 4.420 nan 0.000 0.214 170 P C 1.131 178.442 177.300 0.019 0.000 1.163 170 P CA 1.100 64.211 63.100 0.018 0.000 0.883 170 P CB 0.293 32.001 31.700 0.014 0.000 0.788 171 E N -0.363 119.846 120.200 0.016 0.000 2.058 171 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 171 E C 1.974 178.585 176.600 0.019 0.000 0.997 171 E CA 1.380 57.789 56.400 0.016 0.000 0.801 171 E CB -0.664 29.043 29.700 0.013 0.000 0.746 171 E HN 0.055 nan 8.360 nan 0.000 0.450 172 K N 0.526 120.937 120.400 0.020 0.000 2.032 172 K HA -0.099 4.221 4.320 -0.000 0.000 0.209 172 K C 1.888 178.506 176.600 0.030 0.000 1.048 172 K CA 1.221 57.523 56.287 0.024 0.000 0.927 172 K CB -0.405 32.110 32.500 0.026 0.000 0.712 172 K HN 0.111 nan 8.250 nan 0.000 0.441 173 I N -0.000 120.590 120.570 0.033 0.000 2.127 173 I HA -0.337 3.833 4.170 -0.000 0.000 0.241 173 I C 2.223 178.357 176.117 0.029 0.000 1.075 173 I CA 1.142 62.466 61.300 0.040 0.000 1.334 173 I CB -0.302 37.727 38.000 0.048 0.000 1.040 173 I HN 0.206 nan 8.210 nan 0.000 0.405 174 M N 0.142 119.757 119.600 0.025 0.000 2.106 174 M HA -0.277 4.203 4.480 -0.000 0.000 0.259 174 M C 2.261 178.570 176.300 0.015 0.000 1.068 174 M CA 1.781 57.092 55.300 0.019 0.000 1.100 174 M CB -1.296 31.315 32.600 0.018 0.000 1.351 174 M HN 0.317 nan 8.290 nan 0.000 0.404 175 E N -0.039 120.170 120.200 0.016 0.000 2.058 175 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 175 E C 2.011 178.616 176.600 0.008 0.000 0.997 175 E CA 1.967 58.376 56.400 0.015 0.000 0.801 175 E CB -0.024 29.686 29.700 0.018 0.000 0.746 175 E HN 0.320 nan 8.360 nan 0.000 0.450 176 V N 0.322 120.242 119.914 0.009 0.000 2.453 176 V HA -0.172 3.948 4.120 -0.000 0.000 0.247 176 V C 2.118 178.200 176.094 -0.021 0.000 1.048 176 V CA 1.396 63.691 62.300 -0.007 0.000 1.049 176 V CB -0.371 31.457 31.823 0.008 0.000 0.672 176 V HN 0.327 nan 8.190 nan 0.000 0.457 177 I N 1.096 121.663 120.570 -0.005 0.000 2.127 177 I HA -0.231 3.939 4.170 -0.000 0.000 0.241 177 I C 2.562 178.672 176.117 -0.011 0.000 1.075 177 I CA 2.230 63.525 61.300 -0.009 0.000 1.334 177 I CB -0.706 37.295 38.000 0.001 0.000 1.040 177 I HN 0.399 nan 8.210 nan 0.000 0.405 178 N N 1.009 119.708 118.700 -0.003 0.000 2.166 178 N HA -0.162 4.578 4.740 -0.000 0.000 0.186 178 N C 1.504 177.010 175.510 -0.006 0.000 1.019 178 N CA 1.384 54.434 53.050 0.000 0.000 0.856 178 N CB -0.703 37.788 38.487 0.007 0.000 0.993 178 N HN 0.483 nan 8.380 nan 0.000 0.426 179 N N 0.352 119.043 118.700 -0.015 0.000 2.223 179 N HA -0.022 4.718 4.740 -0.000 0.000 0.185 179 N C 1.164 176.635 175.510 -0.065 0.000 1.016 179 N CA 0.548 53.583 53.050 -0.026 0.000 0.863 179 N CB 0.066 38.538 38.487 -0.025 0.000 0.983 179 N HN 0.165 nan 8.380 nan 0.000 0.429 180 L N -0.599 120.570 121.223 -0.090 0.000 2.640 180 L HA 0.253 4.593 4.340 -0.000 0.000 0.230 180 L C 0.790 177.642 176.870 -0.029 0.000 1.123 180 L CA -0.245 54.520 54.840 -0.124 0.000 0.900 180 L CB 0.322 42.259 42.059 -0.203 0.000 1.146 180 L HN 0.111 nan 8.230 nan 0.000 0.484 181 G N 1.703 110.497 108.800 -0.010 0.000 2.314 181 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.292 181 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.292 181 G C 0.039 174.950 174.900 0.018 0.000 1.059 181 G CA -0.324 44.784 45.100 0.013 0.000 0.982 181 G HN 0.128 nan 8.290 nan 0.000 0.505 182 I N 0.317 120.890 120.570 0.005 0.000 2.436 182 I HA 0.204 4.374 4.170 -0.000 0.000 0.289 182 I C 1.241 177.369 176.117 0.020 0.000 1.083 182 I CA -0.235 61.070 61.300 0.008 0.000 1.372 182 I CB 1.305 39.297 38.000 -0.015 0.000 1.408 182 I HN 0.334 nan 8.210 nan 0.000 0.516 183 E N 5.441 125.665 120.200 0.041 0.000 2.340 183 E HA 0.035 4.385 4.350 -0.000 0.000 0.194 183 E C 0.062 176.730 176.600 0.114 0.000 0.996 183 E CA 0.889 57.323 56.400 0.057 0.000 0.869 183 E CB 0.392 30.122 29.700 0.049 0.000 0.835 183 E HN 0.622 nan 8.360 nan 0.000 0.493 184 H N -1.166 117.881 119.070 -0.038 0.000 3.079 184 H HA 0.362 4.918 4.556 0.000 0.000 0.356 184 H C -1.335 173.935 175.328 -0.097 0.000 1.221 184 H CA -0.710 55.301 56.048 -0.062 0.000 1.185 184 H CB 0.863 30.594 29.762 -0.051 0.000 1.882 184 H HN -0.071 nan 8.280 nan 0.000 0.543 185 I N 2.994 123.103 120.570 -0.769 0.000 2.465 185 I HA 0.113 4.283 4.170 -0.000 0.000 0.291 185 I C -0.638 174.898 176.117 -0.969 0.000 1.014 185 I CA -0.615 60.236 61.300 -0.750 0.000 1.093 185 I CB 2.162 39.755 38.000 -0.679 0.000 1.267 185 I HN 0.494 nan 8.210 nan 0.000 0.431 186 E N 5.715 125.542 120.200 -0.621 0.000 2.102 186 E HA 0.370 4.720 4.350 -0.000 0.000 0.263 186 E C -1.610 174.861 176.600 -0.215 0.000 0.894 186 E CA -0.248 55.943 56.400 -0.349 0.000 0.746 186 E CB 0.691 30.312 29.700 -0.131 0.000 1.129 186 E HN 0.299 nan 8.360 nan 0.000 0.416 187 Y N 2.976 123.239 120.300 -0.061 0.000 2.458 187 Y HA 0.718 5.268 4.550 -0.000 0.000 0.322 187 Y C 0.368 176.248 175.900 -0.033 0.000 1.259 187 Y CA -1.144 56.930 58.100 -0.043 0.000 1.302 187 Y CB 1.447 39.884 38.460 -0.038 0.000 1.314 187 Y HN 0.284 nan 8.280 nan 0.000 0.509 188 R N 0.469 121.061 120.500 0.153 0.000 2.736 188 R HA 0.255 4.595 4.340 -0.000 0.000 0.250 188 R C -1.496 174.786 176.300 -0.029 0.000 1.098 188 R CA -0.605 55.509 56.100 0.025 0.000 0.978 188 R CB 1.333 31.603 30.300 -0.051 0.000 1.263 188 R HN 0.736 nan 8.270 nan 0.000 0.460 189 S N 0.564 116.236 115.700 -0.047 0.000 2.704 189 S HA 0.336 4.806 4.470 -0.000 0.000 0.305 189 S C 0.680 175.239 174.600 -0.068 0.000 1.107 189 S CA -0.527 57.638 58.200 -0.058 0.000 0.993 189 S CB 1.807 64.977 63.200 -0.050 0.000 1.110 189 S HN 0.710 nan 8.310 nan 0.000 0.534 190 E N 0.345 120.513 120.200 -0.052 0.000 2.333 190 E HA -0.150 4.200 4.350 -0.000 0.000 0.198 190 E C 0.679 177.268 176.600 -0.019 0.000 1.007 190 E CA 1.146 57.523 56.400 -0.038 0.000 0.845 190 E CB -0.232 29.461 29.700 -0.011 0.000 0.766 190 E HN 0.710 nan 8.360 nan 0.000 0.507 191 N N -0.560 118.129 118.700 -0.018 0.000 2.205 191 N HA 0.075 4.815 4.740 -0.000 0.000 0.201 191 N C -0.861 174.649 175.510 -0.000 0.000 1.128 191 N CA -0.095 52.952 53.050 -0.005 0.000 0.867 191 N CB 0.866 39.350 38.487 -0.005 0.000 0.996 191 N HN -0.118 nan 8.380 nan 0.000 0.503 192 S N 2.367 118.063 115.700 -0.007 0.000 2.546 192 S HA 0.001 4.471 4.470 -0.000 0.000 0.290 192 S C -1.289 173.330 174.600 0.032 0.000 1.290 192 S CA -0.787 57.420 58.200 0.011 0.000 1.069 192 S CB 0.807 64.010 63.200 0.005 0.000 0.846 192 S HN 0.274 nan 8.310 nan 0.000 0.495 193 P HA -0.201 nan 4.420 nan 0.000 0.220 193 P C 0.809 178.154 177.300 0.076 0.000 1.144 193 P CA 1.099 64.225 63.100 0.043 0.000 0.800 193 P CB 0.221 31.943 31.700 0.037 0.000 0.772 194 D N -0.428 120.035 120.400 0.105 0.000 2.183 194 D HA -0.076 4.564 4.640 -0.000 0.000 0.203 194 D C 1.788 178.279 176.300 0.318 0.000 0.969 194 D CA 0.777 54.890 54.000 0.189 0.000 0.842 194 D CB -0.074 40.831 40.800 0.176 0.000 0.957 194 D HN 0.015 nan 8.370 nan 0.000 0.484 195 V N 0.238 120.266 119.914 0.189 0.000 3.212 195 V HA 0.075 4.195 4.120 -0.000 0.000 0.244 195 V C 2.379 178.607 176.094 0.224 0.000 1.151 195 V CA 0.052 62.487 62.300 0.225 0.000 1.119 195 V CB -0.094 31.641 31.823 -0.146 0.000 0.838 195 V HN 0.056 nan 8.190 nan 0.000 0.470 196 R N 0.870 121.423 120.500 0.089 0.000 2.189 196 R HA -0.252 4.088 4.340 -0.000 0.000 0.252 196 R C -0.020 176.274 176.300 -0.011 0.000 1.134 196 R CA 2.460 58.581 56.100 0.034 0.000 0.954 196 R CB -2.368 27.938 30.300 0.009 0.000 0.890 196 R HN 0.433 nan 8.270 nan 0.000 0.443 197 P HA -0.160 nan 4.420 nan 0.000 0.219 197 P C 0.499 177.561 177.300 -0.397 0.000 1.144 197 P CA 1.436 64.343 63.100 -0.322 0.000 0.806 197 P CB -0.108 31.269 31.700 -0.539 0.000 0.771 198 Y N -2.413 117.936 120.300 0.083 0.000 2.458 198 Y HA 0.146 4.696 4.550 -0.000 0.000 0.256 198 Y C 0.743 176.682 175.900 0.065 0.000 1.159 198 Y CA -0.308 57.846 58.100 0.090 0.000 1.261 198 Y CB -0.053 38.514 38.460 0.179 0.000 1.119 198 Y HN -0.300 nan 8.280 nan 0.000 0.524 199 V N 1.499 121.498 119.914 0.141 0.000 2.333 199 V HA 0.224 4.344 4.120 -0.000 0.000 0.274 199 V C -0.055 176.066 176.094 0.045 0.000 1.028 199 V CA -1.676 60.679 62.300 0.092 0.000 0.851 199 V CB 0.850 32.714 31.823 0.069 0.000 1.000 199 V HN 0.081 nan 8.190 nan 0.000 0.456 200 K N 3.108 123.531 120.400 0.039 0.000 2.401 200 K HA 0.392 4.712 4.320 -0.000 0.000 0.278 200 K C 0.877 177.476 176.600 -0.003 0.000 1.018 200 K CA 0.078 56.373 56.287 0.012 0.000 0.981 200 K CB 0.781 33.285 32.500 0.007 0.000 0.933 200 K HN 0.921 nan 8.250 nan 0.000 0.477 201 G N 2.186 110.978 108.800 -0.013 0.000 2.491 201 G HA2 0.109 4.069 3.960 -0.000 0.000 0.242 201 G HA3 0.109 4.069 3.960 -0.000 0.000 0.242 201 G C 0.685 175.544 174.900 -0.067 0.000 1.266 201 G CA -0.543 44.543 45.100 -0.023 0.000 0.844 201 G HN 0.472 nan 8.290 nan 0.000 0.571 202 I N 0.671 121.170 120.570 -0.118 0.000 2.899 202 I HA 0.186 4.356 4.170 -0.000 0.000 0.257 202 I C 1.408 177.319 176.117 -0.342 0.000 1.115 202 I CA 0.297 61.425 61.300 -0.287 0.000 1.451 202 I CB -0.813 36.884 38.000 -0.506 0.000 1.251 202 I HN 0.740 nan 8.210 nan 0.000 0.456 203 R N 1.550 121.904 120.500 -0.243 0.000 2.496 203 R HA -0.201 4.139 4.340 -0.000 0.000 0.326 203 R C -1.619 174.569 176.300 -0.186 0.000 1.032 203 R CA 0.009 56.042 56.100 -0.112 0.000 0.827 203 R CB -1.546 28.724 30.300 -0.051 0.000 2.368 203 R HN 0.054 nan 8.270 nan 0.000 0.490 204 F N 2.856 122.821 119.950 0.026 0.000 2.404 204 F HA 0.243 4.770 4.527 -0.000 0.000 0.345 204 F C 1.014 176.779 175.800 -0.057 0.000 1.110 204 F CA -0.273 57.639 58.000 -0.147 0.000 1.130 204 F CB 1.323 40.021 39.000 -0.505 0.000 1.129 204 F HN 0.246 nan 8.300 nan 0.000 0.500 205 E N 3.921 124.168 120.200 0.078 0.000 2.014 205 E HA 0.049 4.399 4.350 -0.000 0.000 0.275 205 E C -0.971 175.680 176.600 0.083 0.000 0.997 205 E CA -0.386 56.087 56.400 0.121 0.000 0.804 205 E CB 0.650 30.395 29.700 0.077 0.000 1.090 205 E HN 0.488 nan 8.360 nan 0.000 0.401 206 W N 4.651 126.028 121.300 0.129 0.000 2.388 206 W HA 0.174 4.834 4.660 -0.000 0.000 0.308 206 W C -0.089 176.416 176.519 -0.024 0.000 1.263 206 W CA -0.469 56.917 57.345 0.068 0.000 1.286 206 W CB 1.036 30.591 29.460 0.158 0.000 1.294 206 W HN 0.230 nan 8.180 nan 0.000 0.493 207 V N 3.699 123.683 119.914 0.117 0.000 2.417 207 V HA 0.547 4.667 4.120 -0.000 0.000 0.291 207 V C -0.144 175.943 176.094 -0.013 0.000 1.024 207 V CA -1.274 61.047 62.300 0.036 0.000 0.861 207 V CB 1.832 33.666 31.823 0.019 0.000 0.985 207 V HN 0.527 nan 8.190 nan 0.000 0.436 208 R N 4.219 124.684 120.500 -0.058 0.000 2.202 208 R HA 0.544 4.884 4.340 -0.000 0.000 0.334 208 R C -1.118 175.144 176.300 -0.063 0.000 1.036 208 R CA -0.382 55.667 56.100 -0.086 0.000 0.878 208 R CB 1.415 31.638 30.300 -0.128 0.000 1.067 208 R HN 0.776 nan 8.270 nan 0.000 0.457 209 V N 4.951 124.825 119.914 -0.068 0.000 2.488 209 V HA 0.039 4.159 4.120 -0.000 0.000 0.277 209 V C -0.013 176.036 176.094 -0.075 0.000 1.046 209 V CA -0.215 62.043 62.300 -0.070 0.000 0.986 209 V CB 1.213 32.983 31.823 -0.089 0.000 0.989 209 V HN 0.753 nan 8.190 nan 0.000 0.475 210 D N 4.116 124.478 120.400 -0.064 0.000 2.350 210 D HA 0.351 4.991 4.640 -0.000 0.000 0.249 210 D C -0.199 176.049 176.300 -0.087 0.000 1.119 210 D CA -0.130 53.836 54.000 -0.057 0.000 0.886 210 D CB 0.866 41.645 40.800 -0.035 0.000 1.195 210 D HN 0.402 nan 8.370 nan 0.000 0.437 211 L N 5.010 126.190 121.223 -0.072 0.000 2.283 211 L HA 0.305 4.645 4.340 -0.000 0.000 0.287 211 L C -1.850 175.011 176.870 -0.015 0.000 1.073 211 L CA -1.830 52.959 54.840 -0.085 0.000 0.822 211 L CB 0.303 42.372 42.059 0.017 0.000 1.186 211 L HN 0.212 nan 8.230 nan 0.000 0.436 212 P HA 0.043 nan 4.420 nan 0.000 0.271 212 P C 0.335 177.671 177.300 0.062 0.000 1.216 212 P CA -0.313 62.798 63.100 0.017 0.000 0.776 212 P CB 1.158 32.863 31.700 0.007 0.000 0.881 213 E N 2.084 122.308 120.200 0.041 0.000 2.149 213 E HA -0.232 4.118 4.350 -0.000 0.000 0.215 213 E C 1.864 178.491 176.600 0.044 0.000 1.055 213 E CA 1.570 57.993 56.400 0.038 0.000 0.870 213 E CB -0.716 28.997 29.700 0.022 0.000 0.764 213 E HN 0.554 nan 8.360 nan 0.000 0.463 214 I N -0.333 120.266 120.570 0.048 0.000 2.099 214 I HA -0.327 3.843 4.170 -0.000 0.000 0.239 214 I C 2.470 178.612 176.117 0.041 0.000 1.066 214 I CA 1.607 62.929 61.300 0.036 0.000 1.324 214 I CB -0.456 37.567 38.000 0.038 0.000 1.037 214 I HN 0.102 nan 8.210 nan 0.000 0.401 215 Y N 1.703 121.976 120.300 -0.046 0.000 2.081 215 Y HA -0.374 4.176 4.550 -0.000 0.000 0.280 215 Y C 2.697 178.558 175.900 -0.065 0.000 1.163 215 Y CA 2.130 60.188 58.100 -0.070 0.000 1.135 215 Y CB -0.226 38.177 38.460 -0.096 0.000 0.970 215 Y HN -0.014 nan 8.280 nan 0.000 0.498 216 K N -0.262 120.236 120.400 0.164 0.000 2.020 216 K HA -0.297 4.023 4.320 -0.000 0.000 0.212 216 K C 2.151 178.740 176.600 -0.018 0.000 1.050 216 K CA 1.966 58.302 56.287 0.082 0.000 0.929 216 K CB -0.264 32.282 32.500 0.077 0.000 0.714 216 K HN 0.241 nan 8.250 nan 0.000 0.443 217 E N 0.313 120.501 120.200 -0.020 0.000 2.031 217 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 217 E C 1.808 178.363 176.600 -0.076 0.000 0.994 217 E CA 1.370 57.748 56.400 -0.038 0.000 0.800 217 E CB -0.293 29.393 29.700 -0.022 0.000 0.752 217 E HN 0.114 nan 8.360 nan 0.000 0.447 218 V N 0.918 120.766 119.914 -0.110 0.000 2.324 218 V HA -0.300 3.820 4.120 -0.000 0.000 0.250 218 V C 2.646 178.638 176.094 -0.171 0.000 1.060 218 V CA 2.323 64.537 62.300 -0.143 0.000 1.042 218 V CB -0.593 31.117 31.823 -0.188 0.000 0.650 218 V HN 0.283 nan 8.190 nan 0.000 0.450 219 R N 0.247 120.609 120.500 -0.229 0.000 2.073 219 R HA -0.217 4.123 4.340 -0.000 0.000 0.234 219 R C 2.448 178.679 176.300 -0.116 0.000 1.134 219 R CA 2.127 58.102 56.100 -0.209 0.000 0.952 219 R CB -0.321 29.838 30.300 -0.236 0.000 0.850 219 R HN 0.504 nan 8.270 nan 0.000 0.433 220 K N 0.439 120.790 120.400 -0.082 0.000 2.032 220 K HA -0.168 4.152 4.320 -0.000 0.000 0.209 220 K C 2.118 178.688 176.600 -0.050 0.000 1.048 220 K CA 1.693 57.949 56.287 -0.050 0.000 0.927 220 K CB -0.165 32.315 32.500 -0.033 0.000 0.712 220 K HN 0.206 nan 8.250 nan 0.000 0.441 221 L N 0.982 122.170 121.223 -0.057 0.000 1.970 221 L HA -0.255 4.085 4.340 -0.000 0.000 0.212 221 L C 2.553 179.390 176.870 -0.055 0.000 1.071 221 L CA 1.368 56.176 54.840 -0.052 0.000 0.751 221 L CB -0.573 41.451 42.059 -0.058 0.000 0.889 221 L HN 0.259 nan 8.230 nan 0.000 0.432 222 L N -0.663 120.516 121.223 -0.073 0.000 2.013 222 L HA -0.275 4.065 4.340 -0.000 0.000 0.212 222 L C 2.923 179.762 176.870 -0.051 0.000 1.073 222 L CA 1.486 56.285 54.840 -0.070 0.000 0.753 222 L CB -0.557 41.446 42.059 -0.094 0.000 0.890 222 L HN 0.261 nan 8.230 nan 0.000 0.432 223 R N -0.433 120.035 120.500 -0.054 0.000 2.070 223 R HA -0.158 4.182 4.340 -0.000 0.000 0.233 223 R C 2.213 178.502 176.300 -0.018 0.000 1.137 223 R CA 1.248 57.327 56.100 -0.036 0.000 0.945 223 R CB -0.430 29.849 30.300 -0.034 0.000 0.845 223 R HN 0.292 nan 8.270 nan 0.000 0.430 224 E N 0.732 120.920 120.200 -0.020 0.000 2.130 224 E HA -0.211 4.139 4.350 -0.000 0.000 0.196 224 E C 1.976 178.574 176.600 -0.003 0.000 0.998 224 E CA 1.480 57.873 56.400 -0.011 0.000 0.806 224 E CB -0.189 29.503 29.700 -0.013 0.000 0.738 224 E HN 0.400 nan 8.360 nan 0.000 0.459 225 M N -0.049 119.546 119.600 -0.008 0.000 2.099 225 M HA -0.103 4.377 4.480 -0.000 0.000 0.262 225 M C 2.447 178.759 176.300 0.020 0.000 1.067 225 M CA 0.994 56.295 55.300 0.003 0.000 1.124 225 M CB -0.265 32.326 32.600 -0.015 0.000 1.353 225 M HN 0.087 nan 8.290 nan 0.000 0.410 226 L N 0.078 121.311 121.223 0.016 0.000 2.081 226 L HA -0.292 4.048 4.340 -0.000 0.000 0.212 226 L C 2.694 179.585 176.870 0.035 0.000 1.080 226 L CA 1.607 56.468 54.840 0.035 0.000 0.754 226 L CB -0.427 41.653 42.059 0.035 0.000 0.893 226 L HN 0.342 nan 8.230 nan 0.000 0.433 227 R N -0.124 120.388 120.500 0.021 0.000 2.080 227 R HA -0.208 4.132 4.340 -0.000 0.000 0.236 227 R C 1.868 178.176 176.300 0.012 0.000 1.137 227 R CA 2.149 58.258 56.100 0.014 0.000 0.943 227 R CB -0.235 30.068 30.300 0.006 0.000 0.846 227 R HN 0.424 nan 8.270 nan 0.000 0.431 228 D N 0.179 120.590 120.400 0.019 0.000 2.144 228 D HA -0.133 4.507 4.640 -0.000 0.000 0.199 228 D C 1.689 178.014 176.300 0.042 0.000 0.984 228 D CA 1.446 55.459 54.000 0.021 0.000 0.834 228 D CB -0.217 40.605 40.800 0.037 0.000 0.955 228 D HN 0.408 nan 8.370 nan 0.000 0.465 229 A N 0.340 123.212 122.820 0.087 0.000 2.019 229 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 229 A C 2.309 179.951 177.584 0.096 0.000 1.164 229 A CA 0.816 52.952 52.037 0.165 0.000 0.644 229 A CB -0.476 18.607 19.000 0.139 0.000 0.805 229 A HN 0.205 nan 8.150 nan 0.000 0.449 230 L N -1.396 119.847 121.223 0.034 0.000 2.249 230 L HA -0.028 4.312 4.340 -0.000 0.000 0.207 230 L C 2.312 179.160 176.870 -0.036 0.000 1.090 230 L CA 0.651 55.496 54.840 0.009 0.000 0.802 230 L CB -0.290 41.778 42.059 0.015 0.000 0.947 230 L HN 0.263 nan 8.230 nan 0.000 0.453 231 K N 0.489 120.856 120.400 -0.055 0.000 2.052 231 K HA -0.224 4.096 4.320 -0.000 0.000 0.215 231 K C -0.539 175.988 176.600 -0.122 0.000 1.053 231 K CA 2.208 58.448 56.287 -0.078 0.000 0.934 231 K CB -1.301 31.151 32.500 -0.080 0.000 0.717 231 K HN 0.308 nan 8.250 nan 0.000 0.450 232 P HA -0.164 nan 4.420 nan 0.000 0.217 232 P C 1.438 178.656 177.300 -0.136 0.000 1.150 232 P CA 1.428 64.368 63.100 -0.266 0.000 0.832 232 P CB -0.054 31.267 31.700 -0.631 0.000 0.787 233 L N -0.489 120.684 121.223 -0.084 0.000 2.046 233 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 233 L C 2.852 179.715 176.870 -0.011 0.000 1.077 233 L CA 1.715 56.551 54.840 -0.006 0.000 0.747 233 L CB -1.229 40.855 42.059 0.042 0.000 0.896 233 L HN -0.038 nan 8.230 nan 0.000 0.432 234 A N 0.075 122.881 122.820 -0.023 0.000 1.873 234 A HA -0.199 4.121 4.320 -0.000 0.000 0.215 234 A C 2.099 179.669 177.584 -0.023 0.000 1.186 234 A CA 1.453 53.480 52.037 -0.018 0.000 0.616 234 A CB -0.487 18.502 19.000 -0.019 0.000 0.823 234 A HN 0.441 nan 8.150 nan 0.000 0.442 235 E N -0.651 119.526 120.200 -0.038 0.000 2.331 235 E HA -0.121 4.229 4.350 -0.000 0.000 0.199 235 E C 1.517 178.101 176.600 -0.027 0.000 1.008 235 E CA 1.393 57.772 56.400 -0.036 0.000 0.843 235 E CB -0.233 29.437 29.700 -0.051 0.000 0.761 235 E HN 0.615 nan 8.360 nan 0.000 0.507 236 T N -1.210 113.330 114.554 -0.024 0.000 3.051 236 T HA 0.138 4.488 4.350 -0.000 0.000 0.255 236 T C 1.256 175.952 174.700 -0.007 0.000 1.085 236 T CA 0.680 62.772 62.100 -0.013 0.000 1.109 236 T CB 0.632 69.495 68.868 -0.007 0.000 0.921 236 T HN 0.386 nan 8.240 nan 0.000 0.488 237 G N 1.174 109.971 108.800 -0.006 0.000 2.135 237 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.183 237 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.183 237 G C 0.658 175.560 174.900 0.003 0.000 1.004 237 G CA -0.059 45.040 45.100 -0.003 0.000 0.677 237 G HN 0.495 nan 8.290 nan 0.000 0.512 238 L N -0.077 121.151 121.223 0.009 0.000 2.509 238 L HA 0.455 4.795 4.340 -0.000 0.000 0.222 238 L C 1.296 178.179 176.870 0.022 0.000 1.123 238 L CA 0.818 55.669 54.840 0.019 0.000 0.856 238 L CB -0.101 41.979 42.059 0.034 0.000 0.985 238 L HN 0.558 nan 8.230 nan 0.000 0.456 239 L N -6.010 115.222 121.223 0.014 0.000 2.653 239 L HA 0.358 4.698 4.340 -0.000 0.000 0.257 239 L C 0.112 176.985 176.870 0.005 0.000 0.969 239 L CA -0.843 54.004 54.840 0.012 0.000 0.869 239 L CB 1.503 43.573 42.059 0.017 0.000 1.439 239 L HN -0.155 nan 8.230 nan 0.000 0.414 240 E N 1.228 121.430 120.200 0.004 0.000 2.070 240 E HA -0.117 4.233 4.350 -0.000 0.000 0.197 240 E C 0.551 177.151 176.600 -0.001 0.000 1.004 240 E CA 2.089 58.490 56.400 0.001 0.000 0.805 240 E CB -0.000 29.700 29.700 0.001 0.000 0.744 240 E HN 0.766 nan 8.360 nan 0.000 0.451 241 S N -1.241 114.460 115.700 0.002 0.000 2.638 241 S HA 0.260 4.730 4.470 -0.000 0.000 0.274 241 S C 0.131 174.733 174.600 0.003 0.000 1.157 241 S CA -0.369 57.831 58.200 -0.000 0.000 0.826 241 S CB 1.710 64.910 63.200 0.000 0.000 1.139 241 S HN 0.038 nan 8.310 nan 0.000 0.474 242 S N 0.054 115.753 115.700 -0.001 0.000 2.614 242 S HA 0.268 4.738 4.470 -0.000 0.000 0.230 242 S C 0.530 175.135 174.600 0.009 0.000 0.952 242 S CA -0.030 58.170 58.200 0.001 0.000 0.949 242 S CB -0.444 62.750 63.200 -0.010 0.000 0.786 242 S HN 0.892 nan 8.310 nan 0.000 0.478 243 S N 3.707 119.413 115.700 0.011 0.000 2.516 243 S HA 0.237 4.707 4.470 -0.000 0.000 0.282 243 S C -1.190 173.428 174.600 0.030 0.000 1.286 243 S CA -1.335 56.875 58.200 0.016 0.000 1.066 243 S CB 0.714 63.922 63.200 0.014 0.000 0.884 243 S HN 0.299 nan 8.310 nan 0.000 0.491 244 P HA -0.057 nan 4.420 nan 0.000 0.234 244 P C 0.231 177.563 177.300 0.052 0.000 1.162 244 P CA 0.751 63.875 63.100 0.041 0.000 0.759 244 P CB 0.133 31.843 31.700 0.016 0.000 0.813 245 D N 0.158 120.585 120.400 0.046 0.000 2.346 245 D HA 0.055 4.695 4.640 -0.000 0.000 0.206 245 D C 1.419 177.761 176.300 0.070 0.000 1.001 245 D CA -0.023 54.009 54.000 0.053 0.000 0.871 245 D CB 0.107 40.930 40.800 0.038 0.000 0.943 245 D HN 0.329 nan 8.370 nan 0.000 0.518 246 I N 0.024 120.633 120.570 0.065 0.000 3.094 246 I HA 0.084 4.254 4.170 -0.000 0.000 0.291 246 I C -2.310 173.858 176.117 0.085 0.000 1.250 246 I CA -1.228 60.107 61.300 0.058 0.000 1.401 246 I CB -0.490 37.533 38.000 0.038 0.000 1.343 246 I HN -0.323 nan 8.210 nan 0.000 0.599 247 P HA 0.104 nan 4.420 nan 0.000 0.271 247 P C 0.141 177.448 177.300 0.012 0.000 1.216 247 P CA -0.410 62.730 63.100 0.067 0.000 0.776 247 P CB 0.900 32.627 31.700 0.045 0.000 0.881 248 K N 3.638 124.033 120.400 -0.009 0.000 2.074 248 K HA -0.254 4.066 4.320 -0.000 0.000 0.209 248 K C 1.784 178.309 176.600 -0.125 0.000 1.048 248 K CA 1.738 57.872 56.287 -0.254 0.000 0.926 248 K CB -0.134 32.250 32.500 -0.193 0.000 0.713 248 K HN 0.271 nan 8.250 nan 0.000 0.444 249 K N 0.885 121.266 120.400 -0.032 0.000 2.160 249 K HA -0.244 4.076 4.320 -0.000 0.000 0.206 249 K C 1.917 178.514 176.600 -0.005 0.000 1.047 249 K CA 2.017 58.300 56.287 -0.006 0.000 0.930 249 K CB -0.055 32.456 32.500 0.017 0.000 0.720 249 K HN 0.301 nan 8.250 nan 0.000 0.450 250 E N 0.235 120.429 120.200 -0.010 0.000 2.208 250 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 250 E C 1.804 178.405 176.600 0.002 0.000 0.988 250 E CA 0.968 57.369 56.400 0.002 0.000 0.828 250 E CB 0.215 29.919 29.700 0.006 0.000 0.763 250 E HN 0.342 nan 8.360 nan 0.000 0.478 251 V N -1.171 118.722 119.914 -0.035 0.000 2.446 251 V HA -0.117 4.003 4.120 -0.000 0.000 0.244 251 V C 2.170 178.296 176.094 0.054 0.000 1.039 251 V CA 0.500 62.778 62.300 -0.036 0.000 1.045 251 V CB -0.472 31.257 31.823 -0.157 0.000 0.681 251 V HN 0.161 nan 8.190 nan 0.000 0.459 252 L N 0.178 121.423 121.223 0.036 0.000 2.079 252 L HA -0.091 4.249 4.340 -0.000 0.000 0.210 252 L C 2.882 179.830 176.870 0.129 0.000 1.081 252 L CA 1.875 56.791 54.840 0.127 0.000 0.752 252 L CB -1.663 40.428 42.059 0.054 0.000 0.896 252 L HN 0.407 nan 8.230 nan 0.000 0.433 253 R N 0.035 120.579 120.500 0.073 0.000 2.073 253 R HA -0.082 4.258 4.340 -0.000 0.000 0.234 253 R C 2.184 178.519 176.300 0.058 0.000 1.134 253 R CA 1.497 57.627 56.100 0.049 0.000 0.952 253 R CB -0.426 29.893 30.300 0.031 0.000 0.850 253 R HN 0.330 nan 8.270 nan 0.000 0.433 254 A N 0.020 122.894 122.820 0.091 0.000 1.948 254 A HA -0.140 4.180 4.320 -0.000 0.000 0.220 254 A C 2.319 179.952 177.584 0.083 0.000 1.177 254 A CA 2.069 54.169 52.037 0.104 0.000 0.636 254 A CB -1.076 18.011 19.000 0.145 0.000 0.815 254 A HN 0.508 nan 8.150 nan 0.000 0.449 255 G N -0.040 108.817 108.800 0.095 0.000 2.505 255 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.214 255 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.214 255 G C 1.573 176.341 174.900 -0.220 0.000 1.237 255 G CA 1.068 45.914 45.100 -0.423 0.000 0.802 255 G HN 0.774 nan 8.290 nan 0.000 0.549 256 Q N 0.080 119.824 119.800 -0.094 0.000 2.297 256 Q HA -0.033 4.307 4.340 -0.000 0.000 0.208 256 Q C 2.375 178.345 176.000 -0.050 0.000 0.981 256 Q CA 1.114 56.880 55.803 -0.062 0.000 0.876 256 Q CB -0.410 28.315 28.738 -0.022 0.000 0.921 256 Q HN 0.548 nan 8.270 nan 0.000 0.446 257 I N 0.734 121.281 120.570 -0.039 0.000 2.252 257 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 257 I C 2.298 178.387 176.117 -0.045 0.000 1.102 257 I CA 0.987 62.269 61.300 -0.030 0.000 1.385 257 I CB -0.159 37.834 38.000 -0.012 0.000 1.064 257 I HN 0.232 nan 8.210 nan 0.000 0.414 258 I N 0.811 121.345 120.570 -0.060 0.000 2.286 258 I HA -0.292 3.878 4.170 -0.000 0.000 0.248 258 I C 1.985 178.056 176.117 -0.076 0.000 1.115 258 I CA 1.648 62.910 61.300 -0.064 0.000 1.392 258 I CB -0.561 37.397 38.000 -0.071 0.000 1.065 258 I HN 0.330 nan 8.210 nan 0.000 0.418 259 N N 0.619 119.270 118.700 -0.082 0.000 2.142 259 N HA -0.177 4.563 4.740 -0.000 0.000 0.186 259 N C 1.547 177.019 175.510 -0.063 0.000 1.023 259 N CA 0.993 54.002 53.050 -0.069 0.000 0.852 259 N CB -0.055 38.394 38.487 -0.064 0.000 0.998 259 N HN 0.415 nan 8.380 nan 0.000 0.424 260 E N 0.654 120.820 120.200 -0.056 0.000 2.268 260 E HA -0.109 4.241 4.350 -0.000 0.000 0.195 260 E C 1.264 177.824 176.600 -0.067 0.000 0.995 260 E CA 0.586 56.956 56.400 -0.049 0.000 0.836 260 E CB 0.132 29.810 29.700 -0.036 0.000 0.763 260 E HN 0.313 nan 8.360 nan 0.000 0.491 261 E N 0.204 120.354 120.200 -0.083 0.000 2.230 261 E HA -0.008 4.342 4.350 -0.000 0.000 0.192 261 E C 1.893 178.376 176.600 -0.195 0.000 0.987 261 E CA 0.683 57.019 56.400 -0.107 0.000 0.841 261 E CB 0.089 29.736 29.700 -0.088 0.000 0.783 261 E HN 0.372 nan 8.360 nan 0.000 0.481 262 M N -0.366 119.097 119.600 -0.229 0.000 2.388 262 M HA 0.073 4.553 4.480 -0.000 0.000 0.265 262 M C 2.161 178.297 176.300 -0.273 0.000 1.088 262 M CA 0.912 55.946 55.300 -0.443 0.000 1.134 262 M CB -0.046 32.410 32.600 -0.239 0.000 1.384 262 M HN -0.029 nan 8.290 nan 0.000 0.447 263 A N 0.721 123.467 122.820 -0.124 0.000 2.119 263 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 263 A C 2.017 179.569 177.584 -0.053 0.000 1.153 263 A CA 1.201 53.205 52.037 -0.055 0.000 0.692 263 A CB -0.342 18.637 19.000 -0.035 0.000 0.799 263 A HN 0.424 nan 8.150 nan 0.000 0.458 264 K N -1.688 118.661 120.400 -0.085 0.000 2.356 264 K HA 0.245 4.565 4.320 -0.000 0.000 0.195 264 K C 0.789 177.353 176.600 -0.060 0.000 1.037 264 K CA 0.515 56.766 56.287 -0.059 0.000 1.014 264 K CB 0.224 32.688 32.500 -0.058 0.000 0.815 264 K HN 0.601 nan 8.250 nan 0.000 0.507 265 G N 1.688 110.411 108.800 -0.129 0.000 2.226 265 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.176 265 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.176 265 G C -0.050 174.787 174.900 -0.104 0.000 1.042 265 G CA 0.082 45.139 45.100 -0.072 0.000 0.732 265 G HN 0.326 nan 8.290 nan 0.000 0.494 266 N N -0.704 117.815 118.700 -0.301 0.000 2.272 266 N HA 0.073 4.813 4.740 -0.000 0.000 0.195 266 N C 1.311 176.772 175.510 -0.082 0.000 1.048 266 N CA 0.346 53.303 53.050 -0.154 0.000 0.912 266 N CB 0.053 38.458 38.487 -0.136 0.000 1.096 266 N HN 0.423 nan 8.380 nan 0.000 0.471 267 H N -0.756 118.316 119.070 0.002 0.000 3.415 267 H HA -0.132 4.424 4.556 -0.000 0.000 0.213 267 H C -0.106 175.228 175.328 0.009 0.000 1.091 267 H CA 1.093 57.144 56.048 0.004 0.000 1.182 267 H CB -1.630 28.134 29.762 0.003 0.000 1.160 267 H HN 0.461 nan 8.280 nan 0.000 0.319 268 D N 0.988 121.431 120.400 0.072 0.000 2.110 268 D HA 0.039 4.679 4.640 -0.000 0.000 0.202 268 D C 1.914 178.245 176.300 0.051 0.000 0.975 268 D CA 0.784 54.819 54.000 0.057 0.000 0.839 268 D CB -0.020 40.799 40.800 0.032 0.000 0.996 268 D HN 0.345 nan 8.370 nan 0.000 0.464 269 L N 1.256 122.498 121.223 0.031 0.000 2.801 269 L HA 0.173 4.513 4.340 -0.000 0.000 0.250 269 L C 1.946 178.844 176.870 0.047 0.000 1.222 269 L CA -0.025 54.835 54.840 0.034 0.000 1.054 269 L CB -0.288 41.778 42.059 0.012 0.000 1.330 269 L HN 0.028 nan 8.230 nan 0.000 0.426 270 R N 0.808 121.348 120.500 0.067 0.000 2.062 270 R HA -0.059 4.281 4.340 -0.000 0.000 0.226 270 R C 2.201 178.547 176.300 0.076 0.000 1.125 270 R CA 1.203 57.349 56.100 0.076 0.000 0.966 270 R CB -0.220 30.142 30.300 0.102 0.000 0.861 270 R HN 0.407 nan 8.270 nan 0.000 0.433 271 G N 1.369 110.221 108.800 0.088 0.000 2.448 271 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.219 271 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.219 271 G C 1.452 176.454 174.900 0.170 0.000 1.127 271 G CA 0.432 45.596 45.100 0.106 0.000 0.766 271 G HN 0.241 nan 8.290 nan 0.000 0.552 272 L N -0.348 120.990 121.223 0.191 0.000 2.362 272 L HA 0.039 4.379 4.340 -0.000 0.000 0.219 272 L C 2.531 179.547 176.870 0.244 0.000 1.134 272 L CA -0.109 54.902 54.840 0.286 0.000 0.807 272 L CB -0.316 41.843 42.059 0.167 0.000 0.927 272 L HN 0.137 nan 8.230 nan 0.000 0.447 273 L N -0.078 121.224 121.223 0.132 0.000 2.261 273 L HA -0.200 4.140 4.340 -0.000 0.000 0.216 273 L C 2.234 179.165 176.870 0.102 0.000 1.114 273 L CA 1.392 56.287 54.840 0.090 0.000 0.777 273 L CB -0.529 41.548 42.059 0.030 0.000 0.910 273 L HN 0.219 nan 8.230 nan 0.000 0.440 274 L N -1.877 119.366 121.223 0.033 0.000 2.044 274 L HA -0.185 4.155 4.340 -0.000 0.000 0.205 274 L C 2.224 179.024 176.870 -0.118 0.000 1.075 274 L CA 1.736 56.514 54.840 -0.103 0.000 0.747 274 L CB -0.769 41.117 42.059 -0.287 0.000 0.903 274 L HN 0.240 nan 8.230 nan 0.000 0.435 275 Y N -0.942 119.405 120.300 0.079 0.000 2.181 275 Y HA -0.268 4.282 4.550 -0.000 0.000 0.288 275 Y C 2.865 178.811 175.900 0.077 0.000 1.146 275 Y CA 1.932 60.072 58.100 0.066 0.000 1.164 275 Y CB -0.767 37.727 38.460 0.057 0.000 0.982 275 Y HN 0.402 nan 8.280 nan 0.000 0.515 276 H N 0.323 119.496 119.070 0.171 0.000 2.387 276 H HA -0.187 4.369 4.556 -0.000 0.000 0.299 276 H C 2.110 177.480 175.328 0.070 0.000 1.099 276 H CA 1.563 57.672 56.048 0.102 0.000 1.315 276 H CB -0.102 29.705 29.762 0.074 0.000 1.380 276 H HN 0.374 nan 8.280 nan 0.000 0.513 277 A N 0.734 123.672 122.820 0.198 0.000 1.968 277 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 277 A C 2.752 180.366 177.584 0.050 0.000 1.169 277 A CA 1.208 53.322 52.037 0.128 0.000 0.638 277 A CB -0.521 18.549 19.000 0.116 0.000 0.812 277 A HN 0.441 nan 8.150 nan 0.000 0.446 278 M N -0.598 119.028 119.600 0.042 0.000 2.156 278 M HA -0.067 4.413 4.480 -0.000 0.000 0.264 278 M C 2.552 178.879 176.300 0.046 0.000 1.067 278 M CA 1.177 56.501 55.300 0.041 0.000 1.131 278 M CB -0.428 32.193 32.600 0.035 0.000 1.368 278 M HN 0.467 nan 8.290 nan 0.000 0.416 279 A N 0.861 123.697 122.820 0.026 0.000 1.841 279 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 279 A C 2.001 179.590 177.584 0.009 0.000 1.199 279 A CA 1.607 53.648 52.037 0.007 0.000 0.621 279 A CB -1.041 17.922 19.000 -0.060 0.000 0.835 279 A HN 0.344 nan 8.150 nan 0.000 0.445 280 L N -0.126 121.043 121.223 -0.089 0.000 2.051 280 L HA -0.249 4.091 4.340 -0.000 0.000 0.214 280 L C 2.466 179.399 176.870 0.106 0.000 1.076 280 L CA 2.319 57.136 54.840 -0.037 0.000 0.758 280 L CB -0.622 41.389 42.059 -0.080 0.000 0.890 280 L HN 0.416 nan 8.230 nan 0.000 0.433 281 K N -1.198 119.277 120.400 0.124 0.000 2.031 281 K HA -0.096 4.224 4.320 -0.000 0.000 0.205 281 K C 2.108 178.857 176.600 0.249 0.000 1.049 281 K CA 1.000 57.428 56.287 0.234 0.000 0.939 281 K CB -0.238 32.384 32.500 0.205 0.000 0.717 281 K HN 0.238 nan 8.250 nan 0.000 0.438 282 L N 0.441 121.755 121.223 0.151 0.000 2.046 282 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 282 L C 2.761 179.688 176.870 0.094 0.000 1.077 282 L CA 1.217 56.120 54.840 0.105 0.000 0.747 282 L CB -0.589 41.506 42.059 0.060 0.000 0.896 282 L HN 0.397 nan 8.230 nan 0.000 0.432 283 H N -0.592 118.493 119.070 0.025 0.000 2.321 283 H HA -0.269 4.287 4.556 -0.000 0.000 0.300 283 H C 2.259 177.576 175.328 -0.019 0.000 1.087 283 H CA 2.377 58.424 56.048 -0.001 0.000 1.319 283 H CB -0.031 29.729 29.762 -0.002 0.000 1.379 283 H HN 0.418 nan 8.280 nan 0.000 0.501 284 H N 0.351 119.459 119.070 0.063 0.000 2.422 284 H HA -0.050 4.506 4.556 -0.000 0.000 0.298 284 H C 2.165 177.341 175.328 -0.254 0.000 1.098 284 H CA 1.803 57.782 56.048 -0.114 0.000 1.315 284 H CB -0.122 29.513 29.762 -0.212 0.000 1.382 284 H HN 0.437 nan 8.280 nan 0.000 0.523 285 A N 0.959 123.723 122.820 -0.094 0.000 1.873 285 A HA -0.095 4.225 4.320 -0.000 0.000 0.215 285 A C 2.321 179.803 177.584 -0.170 0.000 1.186 285 A CA 1.429 53.426 52.037 -0.067 0.000 0.616 285 A CB -0.484 18.588 19.000 0.120 0.000 0.823 285 A HN 0.448 nan 8.150 nan 0.000 0.442 286 I N 0.066 120.527 120.570 -0.182 0.000 2.163 286 I HA -0.273 3.897 4.170 -0.000 0.000 0.243 286 I C 2.457 178.420 176.117 -0.257 0.000 1.085 286 I CA 2.075 63.243 61.300 -0.219 0.000 1.347 286 I CB -1.530 36.318 38.000 -0.254 0.000 1.044 286 I HN 0.587 nan 8.210 nan 0.000 0.408 287 E N 1.295 121.290 120.200 -0.341 0.000 2.097 287 E HA -0.226 4.124 4.350 -0.000 0.000 0.196 287 E C 2.444 178.847 176.600 -0.327 0.000 1.000 287 E CA 1.288 57.483 56.400 -0.341 0.000 0.804 287 E CB -0.045 29.431 29.700 -0.374 0.000 0.740 287 E HN 0.452 nan 8.360 nan 0.000 0.454 288 L N 0.258 121.251 121.223 -0.384 0.000 2.056 288 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 288 L C 2.647 179.445 176.870 -0.121 0.000 1.078 288 L CA 0.476 55.151 54.840 -0.275 0.000 0.749 288 L CB -0.445 41.446 42.059 -0.280 0.000 0.901 288 L HN 0.288 nan 8.230 nan 0.000 0.433 289 L N 0.119 121.261 121.223 -0.136 0.000 2.012 289 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 289 L C 2.364 179.235 176.870 0.001 0.000 1.073 289 L CA 1.904 56.670 54.840 -0.122 0.000 0.748 289 L CB -0.463 41.438 42.059 -0.263 0.000 0.891 289 L HN 0.222 nan 8.230 nan 0.000 0.431 290 E N -1.508 118.691 120.200 -0.003 0.000 2.046 290 E HA -0.155 4.194 4.350 -0.000 0.000 0.190 290 E C 2.037 178.785 176.600 0.247 0.000 0.982 290 E CA 1.551 58.036 56.400 0.141 0.000 0.800 290 E CB -0.236 29.495 29.700 0.051 0.000 0.756 290 E HN 0.466 nan 8.360 nan 0.000 0.449 291 T N 0.460 115.042 114.554 0.046 0.000 2.777 291 T HA -0.135 4.215 4.350 -0.000 0.000 0.266 291 T C 1.694 176.469 174.700 0.126 0.000 1.040 291 T CA 1.404 63.489 62.100 -0.025 0.000 1.141 291 T CB 0.009 68.612 68.868 -0.442 0.000 0.868 291 T HN 0.103 nan 8.240 nan 0.000 0.444 292 Q N -1.283 118.598 119.800 0.135 0.000 2.532 292 Q HA 0.454 4.794 4.340 -0.000 0.000 0.247 292 Q C 0.765 176.973 176.000 0.346 0.000 0.872 292 Q CA 0.212 56.123 55.803 0.180 0.000 0.963 292 Q CB 1.429 30.199 28.738 0.054 0.000 1.159 292 Q HN 0.496 nan 8.270 nan 0.000 0.598 293 G N -0.682 108.298 108.800 0.299 0.000 2.347 293 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.477 293 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.477 293 G C -0.195 174.786 174.900 0.135 0.000 1.349 293 G CA -0.692 44.581 45.100 0.288 0.000 1.000 293 G HN 0.059 nan 8.290 nan 0.000 0.605 294 L N 0.347 121.645 121.223 0.125 0.000 2.013 294 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 294 L C 3.144 180.047 176.870 0.055 0.000 1.073 294 L CA 2.272 57.143 54.840 0.052 0.000 0.753 294 L CB -0.662 41.436 42.059 0.065 0.000 0.890 294 L HN 0.598 nan 8.230 nan 0.000 0.432 295 S N -0.195 115.550 115.700 0.075 0.000 2.370 295 S HA -0.218 4.252 4.470 -0.000 0.000 0.226 295 S C 2.158 176.800 174.600 0.070 0.000 1.033 295 S CA 1.343 59.583 58.200 0.066 0.000 1.011 295 S CB -0.349 62.890 63.200 0.066 0.000 0.852 295 S HN 0.531 nan 8.310 nan 0.000 0.457 296 A N 0.931 123.793 122.820 0.071 0.000 1.969 296 A HA 0.020 4.340 4.320 -0.000 0.000 0.218 296 A C 2.081 179.720 177.584 0.091 0.000 1.169 296 A CA 1.107 53.186 52.037 0.070 0.000 0.635 296 A CB -0.531 18.494 19.000 0.042 0.000 0.810 296 A HN 0.419 nan 8.150 nan 0.000 0.445 297 L N -0.087 121.176 121.223 0.067 0.000 2.027 297 L HA -0.072 4.268 4.340 -0.000 0.000 0.206 297 L C 2.393 179.335 176.870 0.120 0.000 1.074 297 L CA 2.345 57.236 54.840 0.084 0.000 0.745 297 L CB -0.707 41.357 42.059 0.008 0.000 0.898 297 L HN 0.459 nan 8.230 nan 0.000 0.433 298 R N -0.371 120.175 120.500 0.077 0.000 2.097 298 R HA -0.246 4.094 4.340 -0.000 0.000 0.236 298 R C 2.181 178.540 176.300 0.098 0.000 1.135 298 R CA 1.948 58.090 56.100 0.069 0.000 0.934 298 R CB -0.642 29.688 30.300 0.050 0.000 0.846 298 R HN 0.533 nan 8.270 nan 0.000 0.431 299 A N -0.041 122.845 122.820 0.111 0.000 1.892 299 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 299 A C 2.095 179.783 177.584 0.174 0.000 1.188 299 A CA 1.698 53.810 52.037 0.125 0.000 0.631 299 A CB -1.019 18.053 19.000 0.121 0.000 0.822 299 A HN 0.674 nan 8.150 nan 0.000 0.447 300 Y N 0.248 120.599 120.300 0.085 0.000 2.200 300 Y HA -0.116 4.434 4.550 -0.000 0.000 0.290 300 Y C 2.038 178.014 175.900 0.127 0.000 1.137 300 Y CA 1.394 59.561 58.100 0.111 0.000 1.163 300 Y CB -0.284 38.258 38.460 0.135 0.000 0.988 300 Y HN 0.268 nan 8.280 nan 0.000 0.518 301 I N 0.443 121.047 120.570 0.057 0.000 2.264 301 I HA -0.336 3.834 4.170 -0.000 0.000 0.248 301 I C 2.587 178.792 176.117 0.147 0.000 1.111 301 I CA 1.750 63.059 61.300 0.016 0.000 1.382 301 I CB -0.428 37.598 38.000 0.045 0.000 1.060 301 I HN 0.239 nan 8.210 nan 0.000 0.418 302 K N 1.747 122.216 120.400 0.115 0.000 1.973 302 K HA -0.252 4.068 4.320 -0.000 0.000 0.210 302 K C 2.240 178.913 176.600 0.123 0.000 1.045 302 K CA 1.616 57.990 56.287 0.145 0.000 0.937 302 K CB -0.226 32.334 32.500 0.100 0.000 0.721 302 K HN 0.047 nan 8.250 nan 0.000 0.438 303 K N 0.518 120.948 120.400 0.050 0.000 2.218 303 K HA -0.172 4.148 4.320 -0.000 0.000 0.205 303 K C 2.071 178.648 176.600 -0.038 0.000 1.046 303 K CA 1.102 57.396 56.287 0.011 0.000 0.933 303 K CB -0.054 32.464 32.500 0.030 0.000 0.728 303 K HN 0.167 nan 8.250 nan 0.000 0.454 304 L N 0.172 121.344 121.223 -0.084 0.000 2.313 304 L HA -0.083 4.257 4.340 -0.000 0.000 0.214 304 L C 1.854 178.852 176.870 0.213 0.000 1.119 304 L CA 1.137 55.953 54.840 -0.040 0.000 0.809 304 L CB -0.391 41.535 42.059 -0.222 0.000 0.933 304 L HN 0.199 nan 8.230 nan 0.000 0.449 305 Y N 0.036 120.346 120.300 0.018 0.000 2.395 305 Y HA -0.072 4.478 4.550 -0.000 0.000 0.293 305 Y C 2.197 177.926 175.900 -0.285 0.000 1.123 305 Y CA 1.091 58.950 58.100 -0.401 0.000 1.227 305 Y CB 0.119 38.361 38.460 -0.364 0.000 1.012 305 Y HN 0.256 nan 8.280 nan 0.000 0.552 306 E N 0.353 120.437 120.200 -0.193 0.000 2.152 306 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 306 E C 1.826 178.305 176.600 -0.201 0.000 0.983 306 E CA 1.226 57.486 56.400 -0.232 0.000 0.818 306 E CB -0.258 29.380 29.700 -0.104 0.000 0.758 306 E HN 0.662 nan 8.360 nan 0.000 0.467 307 E N 0.883 121.008 120.200 -0.125 0.000 2.204 307 E HA -0.067 4.283 4.350 -0.000 0.000 0.194 307 E C 1.958 178.496 176.600 -0.103 0.000 0.989 307 E CA 0.835 57.187 56.400 -0.081 0.000 0.824 307 E CB -0.006 29.679 29.700 -0.025 0.000 0.756 307 E HN 0.204 nan 8.360 nan 0.000 0.477 308 A N 1.474 124.194 122.820 -0.166 0.000 1.872 308 A HA -0.145 4.175 4.320 -0.000 0.000 0.214 308 A C 1.949 179.380 177.584 -0.254 0.000 1.187 308 A CA 1.152 53.079 52.037 -0.183 0.000 0.614 308 A CB -0.146 18.684 19.000 -0.283 0.000 0.826 308 A HN -0.008 nan 8.150 nan 0.000 0.442 309 K N -0.147 120.008 120.400 -0.409 0.000 2.097 309 K HA -0.003 4.317 4.320 -0.000 0.000 0.206 309 K C 2.056 178.530 176.600 -0.210 0.000 1.049 309 K CA 0.975 57.046 56.287 -0.360 0.000 0.933 309 K CB -0.279 31.925 32.500 -0.495 0.000 0.717 309 K HN 0.424 nan 8.250 nan 0.000 0.442 310 A N 0.410 123.125 122.820 -0.175 0.000 2.131 310 A HA -0.039 4.281 4.320 -0.000 0.000 0.220 310 A C 1.659 179.190 177.584 -0.089 0.000 1.158 310 A CA 1.426 53.395 52.037 -0.113 0.000 0.665 310 A CB -0.830 18.116 19.000 -0.089 0.000 0.795 310 A HN 0.477 nan 8.150 nan 0.000 0.460 311 G N -1.732 107.011 108.800 -0.095 0.000 2.168 311 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.263 311 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.263 311 G C 1.105 175.977 174.900 -0.046 0.000 0.977 311 G CA 1.092 46.152 45.100 -0.067 0.000 0.659 311 G HN 0.616 nan 8.290 nan 0.000 0.533 312 S N -0.502 115.171 115.700 -0.045 0.000 2.341 312 S HA 0.109 4.579 4.470 -0.000 0.000 0.216 312 S C 1.302 175.891 174.600 -0.019 0.000 1.034 312 S CA 1.307 59.489 58.200 -0.030 0.000 0.964 312 S CB -0.006 63.177 63.200 -0.029 0.000 0.882 312 S HN 0.568 nan 8.310 nan 0.000 0.469 313 T N 3.276 117.821 114.554 -0.015 0.000 2.779 313 T HA 0.165 4.515 4.350 -0.000 0.000 0.296 313 T C 0.984 175.686 174.700 0.003 0.000 0.938 313 T CA -0.214 61.886 62.100 0.000 0.000 1.119 313 T CB 0.983 69.859 68.868 0.013 0.000 0.891 313 T HN -0.005 nan 8.240 nan 0.000 0.526 314 K N 2.738 123.136 120.400 -0.002 0.000 2.116 314 K HA 0.083 4.403 4.320 -0.000 0.000 0.203 314 K C 2.243 178.840 176.600 -0.005 0.000 1.052 314 K CA 0.927 57.208 56.287 -0.009 0.000 0.952 314 K CB -0.494 31.990 32.500 -0.027 0.000 0.729 314 K HN 0.644 nan 8.250 nan 0.000 0.446 315 A N 0.749 123.568 122.820 -0.002 0.000 1.845 315 A HA -0.146 4.174 4.320 -0.000 0.000 0.215 315 A C 2.344 179.954 177.584 0.044 0.000 1.195 315 A CA 2.354 54.392 52.037 0.002 0.000 0.616 315 A CB -0.907 18.102 19.000 0.016 0.000 0.832 315 A HN 0.343 nan 8.150 nan 0.000 0.443 316 S N 0.030 115.776 115.700 0.078 0.000 2.374 316 S HA -0.190 4.280 4.470 -0.000 0.000 0.227 316 S C 2.055 176.826 174.600 0.285 0.000 1.037 316 S CA 1.547 59.850 58.200 0.172 0.000 1.024 316 S CB -0.270 63.028 63.200 0.163 0.000 0.861 316 S HN 0.475 nan 8.310 nan 0.000 0.456 317 K N 1.128 121.627 120.400 0.165 0.000 1.978 317 K HA -0.119 4.201 4.320 -0.000 0.000 0.214 317 K C 2.200 178.900 176.600 0.167 0.000 1.049 317 K CA 1.493 57.872 56.287 0.154 0.000 0.939 317 K CB -0.770 31.764 32.500 0.057 0.000 0.721 317 K HN 0.249 nan 8.250 nan 0.000 0.441 318 E N 0.890 121.140 120.200 0.083 0.000 2.114 318 E HA -0.156 4.194 4.350 -0.000 0.000 0.199 318 E C 1.996 178.627 176.600 0.052 0.000 1.008 318 E CA 1.195 57.624 56.400 0.048 0.000 0.810 318 E CB -0.269 29.425 29.700 -0.010 0.000 0.739 318 E HN 0.286 nan 8.360 nan 0.000 0.456 319 I N -0.611 119.979 120.570 0.033 0.000 2.286 319 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 319 I C 1.606 177.634 176.117 -0.148 0.000 1.115 319 I CA 0.934 62.186 61.300 -0.079 0.000 1.392 319 I CB -0.200 37.700 38.000 -0.165 0.000 1.065 319 I HN 0.110 nan 8.210 nan 0.000 0.418 320 F N 0.641 120.608 119.950 0.027 0.000 2.367 320 F HA -0.116 4.411 4.527 -0.000 0.000 0.298 320 F C 2.705 178.519 175.800 0.023 0.000 1.094 320 F CA 1.077 59.095 58.000 0.031 0.000 1.409 320 F CB -0.388 38.661 39.000 0.082 0.000 1.064 320 F HN 0.064 nan 8.300 nan 0.000 0.528 321 S N -1.687 114.121 115.700 0.180 0.000 2.607 321 S HA -0.082 4.388 4.470 -0.000 0.000 0.224 321 S C 0.568 175.205 174.600 0.062 0.000 0.969 321 S CA -0.045 58.221 58.200 0.110 0.000 0.927 321 S CB -0.467 62.785 63.200 0.087 0.000 0.772 321 S HN 0.196 nan 8.310 nan 0.000 0.533 322 D N 2.663 123.086 120.400 0.037 0.000 2.312 322 D HA 0.112 4.752 4.640 -0.000 0.000 0.252 322 D C 1.192 177.495 176.300 0.005 0.000 1.150 322 D CA -0.218 53.789 54.000 0.011 0.000 0.870 322 D CB 1.269 42.061 40.800 -0.013 0.000 1.153 322 D HN 0.438 nan 8.370 nan 0.000 0.457 323 K N 3.583 123.988 120.400 0.008 0.000 2.152 323 K HA -0.187 4.133 4.320 -0.000 0.000 0.206 323 K C 1.689 178.282 176.600 -0.011 0.000 1.048 323 K CA 0.753 57.042 56.287 0.004 0.000 0.933 323 K CB 0.113 32.616 32.500 0.005 0.000 0.721 323 K HN 0.197 nan 8.250 nan 0.000 0.447 324 R N 0.404 120.893 120.500 -0.019 0.000 2.080 324 R HA -0.089 4.251 4.340 -0.000 0.000 0.236 324 R C 2.442 178.712 176.300 -0.051 0.000 1.137 324 R CA 2.015 58.096 56.100 -0.031 0.000 0.943 324 R CB -0.418 29.863 30.300 -0.031 0.000 0.846 324 R HN 0.244 nan 8.270 nan 0.000 0.431 325 M N 1.047 120.603 119.600 -0.072 0.000 2.149 325 M HA -0.180 4.300 4.480 -0.000 0.000 0.261 325 M C 1.306 177.556 176.300 -0.083 0.000 1.064 325 M CA 1.754 56.981 55.300 -0.121 0.000 1.102 325 M CB -0.048 32.420 32.600 -0.219 0.000 1.369 325 M HN -0.127 nan 8.290 nan 0.000 0.408 326 K N 0.421 120.798 120.400 -0.039 0.000 1.978 326 K HA -0.202 4.118 4.320 -0.000 0.000 0.214 326 K C 2.125 178.711 176.600 -0.023 0.000 1.049 326 K CA 1.941 58.220 56.287 -0.013 0.000 0.939 326 K CB -0.981 31.522 32.500 0.004 0.000 0.721 326 K HN 0.506 nan 8.250 nan 0.000 0.441 327 K N 0.723 121.108 120.400 -0.024 0.000 2.152 327 K HA -0.123 4.197 4.320 -0.000 0.000 0.206 327 K C 2.018 178.598 176.600 -0.034 0.000 1.048 327 K CA 1.295 57.567 56.287 -0.024 0.000 0.933 327 K CB -0.095 32.392 32.500 -0.022 0.000 0.721 327 K HN 0.150 nan 8.250 nan 0.000 0.447 328 A N 1.329 124.121 122.820 -0.047 0.000 1.877 328 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 328 A C 2.059 179.613 177.584 -0.049 0.000 1.186 328 A CA 1.583 53.585 52.037 -0.058 0.000 0.620 328 A CB -0.583 18.371 19.000 -0.078 0.000 0.822 328 A HN 0.355 nan 8.150 nan 0.000 0.443 329 I N 0.839 121.381 120.570 -0.047 0.000 2.335 329 I HA -0.261 3.909 4.170 -0.000 0.000 0.251 329 I C 2.842 178.942 176.117 -0.028 0.000 1.129 329 I CA 1.602 62.881 61.300 -0.036 0.000 1.402 329 I CB -0.318 37.663 38.000 -0.031 0.000 1.069 329 I HN 0.548 nan 8.210 nan 0.000 0.424 330 S N 1.238 116.923 115.700 -0.026 0.000 2.387 330 S HA -0.069 4.401 4.470 -0.000 0.000 0.226 330 S C 1.980 176.571 174.600 -0.016 0.000 1.026 330 S CA 0.673 58.861 58.200 -0.019 0.000 0.972 330 S CB -0.693 62.498 63.200 -0.016 0.000 0.814 330 S HN 0.412 nan 8.310 nan 0.000 0.477 331 L N 0.190 121.401 121.223 -0.020 0.000 2.093 331 L HA 0.058 4.398 4.340 -0.000 0.000 0.208 331 L C 2.551 179.413 176.870 -0.013 0.000 1.085 331 L CA 0.572 55.402 54.840 -0.016 0.000 0.755 331 L CB -0.543 41.501 42.059 -0.025 0.000 0.904 331 L HN 0.293 nan 8.230 nan 0.000 0.435 332 L N -0.783 120.428 121.223 -0.020 0.000 2.191 332 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 332 L C 2.250 179.120 176.870 -0.001 0.000 1.103 332 L CA 1.378 56.210 54.840 -0.013 0.000 0.769 332 L CB -0.320 41.728 42.059 -0.018 0.000 0.908 332 L HN 0.019 nan 8.230 nan 0.000 0.438 333 V N -1.324 118.588 119.914 -0.004 0.000 2.446 333 V HA -0.216 3.904 4.120 -0.000 0.000 0.244 333 V C 2.379 178.476 176.094 0.004 0.000 1.039 333 V CA 1.494 63.794 62.300 0.000 0.000 1.045 333 V CB 0.132 31.952 31.823 -0.005 0.000 0.681 333 V HN 0.621 nan 8.190 nan 0.000 0.459 334 Q N -0.424 119.378 119.800 0.002 0.000 2.234 334 Q HA -0.180 4.160 4.340 -0.000 0.000 0.206 334 Q C 2.072 178.079 176.000 0.012 0.000 0.980 334 Q CA 1.795 57.601 55.803 0.005 0.000 0.869 334 Q CB -0.177 28.562 28.738 0.003 0.000 0.912 334 Q HN 0.758 nan 8.270 nan 0.000 0.436 335 A N 0.933 123.762 122.820 0.014 0.000 1.854 335 A HA -0.160 4.160 4.320 -0.000 0.000 0.214 335 A C 1.962 179.562 177.584 0.027 0.000 1.192 335 A CA 1.397 53.449 52.037 0.025 0.000 0.611 335 A CB -0.466 18.552 19.000 0.030 0.000 0.832 335 A HN 0.301 nan 8.150 nan 0.000 0.442 336 K N -0.115 120.300 120.400 0.024 0.000 2.211 336 K HA -0.219 4.101 4.320 -0.000 0.000 0.204 336 K C 1.949 178.561 176.600 0.020 0.000 1.047 336 K CA 1.649 57.950 56.287 0.024 0.000 0.935 336 K CB -0.130 32.383 32.500 0.021 0.000 0.728 336 K HN 0.645 nan 8.250 nan 0.000 0.452 337 E N 0.688 120.898 120.200 0.016 0.000 2.118 337 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 337 E C 1.654 178.263 176.600 0.015 0.000 0.992 337 E CA 1.569 57.977 56.400 0.013 0.000 0.804 337 E CB -0.081 29.625 29.700 0.011 0.000 0.741 337 E HN 0.604 nan 8.360 nan 0.000 0.458 338 I N -4.110 116.471 120.570 0.018 0.000 3.976 338 I HA 0.423 4.593 4.170 -0.000 0.000 0.337 338 I C 0.912 177.043 176.117 0.022 0.000 1.359 338 I CA 0.315 61.627 61.300 0.018 0.000 1.098 338 I CB 0.571 38.582 38.000 0.018 0.000 1.027 338 I HN 0.120 nan 8.210 nan 0.000 0.394 339 G N 2.779 111.594 108.800 0.025 0.000 2.246 339 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.273 339 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.273 339 G C -0.370 174.553 174.900 0.038 0.000 1.055 339 G CA 0.417 45.535 45.100 0.030 0.000 0.851 339 G HN 0.482 nan 8.290 nan 0.000 0.500 340 L N 0.069 121.319 121.223 0.045 0.000 2.255 340 L HA 0.744 5.084 4.340 -0.000 0.000 0.289 340 L C 0.587 177.506 176.870 0.082 0.000 1.046 340 L CA -0.092 54.783 54.840 0.058 0.000 0.816 340 L CB 1.393 43.486 42.059 0.056 0.000 1.197 340 L HN 0.136 nan 8.230 nan 0.000 0.427 341 D N 2.507 122.967 120.400 0.099 0.000 2.725 341 D HA 0.095 4.735 4.640 -0.000 0.000 0.269 341 D C -0.474 175.949 176.300 0.205 0.000 1.018 341 D CA 0.726 54.808 54.000 0.137 0.000 0.956 341 D CB 0.403 41.277 40.800 0.125 0.000 1.141 341 D HN 0.715 nan 8.370 nan 0.000 0.478 342 H N -1.462 117.648 119.070 0.067 0.000 3.137 342 H HA 0.252 4.808 4.556 -0.000 0.000 0.336 342 H C -2.189 173.096 175.328 -0.071 0.000 1.055 342 H CA -1.148 54.901 56.048 0.001 0.000 1.349 342 H CB 2.347 32.162 29.762 0.088 0.000 1.939 342 H HN -0.222 nan 8.280 nan 0.000 0.487 343 P HA -0.158 nan 4.420 nan 0.000 0.218 343 P C 0.948 178.280 177.300 0.054 0.000 1.148 343 P CA 1.304 64.407 63.100 0.004 0.000 0.822 343 P CB 0.302 31.898 31.700 -0.175 0.000 0.784 344 K N -1.262 119.199 120.400 0.102 0.000 2.057 344 K HA -0.081 4.239 4.320 -0.000 0.000 0.207 344 K C 2.084 178.702 176.600 0.030 0.000 1.049 344 K CA 1.204 57.389 56.287 -0.170 0.000 0.931 344 K CB -0.426 31.592 32.500 -0.802 0.000 0.714 344 K HN 0.081 nan 8.250 nan 0.000 0.440 345 M N 1.390 121.075 119.600 0.141 0.000 2.149 345 M HA -0.172 4.308 4.480 -0.000 0.000 0.261 345 M C 1.300 177.651 176.300 0.084 0.000 1.064 345 M CA 1.629 57.023 55.300 0.157 0.000 1.102 345 M CB -0.710 31.955 32.600 0.109 0.000 1.369 345 M HN 0.116 nan 8.290 nan 0.000 0.408 346 D N -0.255 120.182 120.400 0.062 0.000 2.097 346 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 346 D C 1.975 178.290 176.300 0.025 0.000 0.984 346 D CA 1.144 55.166 54.000 0.036 0.000 0.826 346 D CB -0.192 40.623 40.800 0.025 0.000 0.973 346 D HN 0.159 nan 8.370 nan 0.000 0.460 347 K N 0.829 121.239 120.400 0.017 0.000 2.057 347 K HA -0.092 4.228 4.320 -0.000 0.000 0.206 347 K C 1.994 178.606 176.600 0.021 0.000 1.050 347 K CA 0.412 56.703 56.287 0.006 0.000 0.935 347 K CB -0.601 31.889 32.500 -0.018 0.000 0.715 347 K HN 0.018 nan 8.250 nan 0.000 0.439 348 L N 1.240 122.493 121.223 0.049 0.000 1.989 348 L HA -0.175 4.164 4.340 -0.000 0.000 0.211 348 L C 1.731 178.622 176.870 0.035 0.000 1.071 348 L CA 1.941 56.821 54.840 0.067 0.000 0.749 348 L CB -0.508 41.641 42.059 0.148 0.000 0.890 348 L HN 0.111 nan 8.230 nan 0.000 0.431 349 K N -0.538 119.880 120.400 0.030 0.000 2.032 349 K HA -0.267 4.053 4.320 -0.000 0.000 0.209 349 K C 2.080 178.687 176.600 0.012 0.000 1.048 349 K CA 1.895 58.191 56.287 0.014 0.000 0.927 349 K CB -0.315 32.193 32.500 0.013 0.000 0.712 349 K HN 0.540 nan 8.250 nan 0.000 0.441 350 E N 1.444 121.651 120.200 0.013 0.000 2.070 350 E HA -0.238 4.112 4.350 -0.000 0.000 0.197 350 E C 2.093 178.698 176.600 0.009 0.000 1.004 350 E CA 1.766 58.172 56.400 0.010 0.000 0.805 350 E CB -0.197 29.508 29.700 0.009 0.000 0.744 350 E HN 0.465 nan 8.360 nan 0.000 0.451 351 I N -1.381 119.195 120.570 0.010 0.000 2.286 351 I HA -0.162 4.008 4.170 -0.000 0.000 0.245 351 I C 2.362 178.484 176.117 0.008 0.000 1.104 351 I CA 1.092 62.397 61.300 0.009 0.000 1.397 351 I CB -0.361 37.645 38.000 0.011 0.000 1.072 351 I HN 0.075 nan 8.210 nan 0.000 0.417 352 I N 0.715 121.289 120.570 0.007 0.000 2.264 352 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 352 I C 2.806 178.926 176.117 0.006 0.000 1.111 352 I CA 1.148 62.450 61.300 0.004 0.000 1.382 352 I CB -0.368 37.631 38.000 -0.001 0.000 1.060 352 I HN 0.262 nan 8.210 nan 0.000 0.418 353 R N 1.485 121.989 120.500 0.006 0.000 2.109 353 R HA -0.236 4.104 4.340 -0.000 0.000 0.227 353 R C 2.133 178.437 176.300 0.006 0.000 1.132 353 R CA 2.075 58.179 56.100 0.006 0.000 0.907 353 R CB -0.775 29.529 30.300 0.006 0.000 0.825 353 R HN 0.450 nan 8.270 nan 0.000 0.432 354 E N 0.217 120.421 120.200 0.006 0.000 2.333 354 E HA -0.241 4.109 4.350 -0.000 0.000 0.200 354 E C 1.683 178.286 176.600 0.006 0.000 1.010 354 E CA 1.364 57.768 56.400 0.006 0.000 0.841 354 E CB -0.196 29.508 29.700 0.006 0.000 0.757 354 E HN 0.237 nan 8.360 nan 0.000 0.508 355 Q N 0.459 120.263 119.800 0.006 0.000 2.008 355 Q HA 0.058 4.398 4.340 -0.000 0.000 0.196 355 Q C 2.316 178.320 176.000 0.006 0.000 0.973 355 Q CA 1.397 57.203 55.803 0.006 0.000 0.826 355 Q CB -0.355 28.388 28.738 0.007 0.000 0.894 355 Q HN 0.472 nan 8.270 nan 0.000 0.439 356 L N 1.155 122.383 121.223 0.009 0.000 2.349 356 L HA -0.190 4.150 4.340 -0.000 0.000 0.220 356 L C 2.593 179.466 176.870 0.006 0.000 1.130 356 L CA 0.923 55.768 54.840 0.009 0.000 0.791 356 L CB -0.300 41.766 42.059 0.013 0.000 0.918 356 L HN 0.311 nan 8.230 nan 0.000 0.444 357 Q N 0.568 120.371 119.800 0.005 0.000 2.096 357 Q HA -0.125 4.215 4.340 -0.000 0.000 0.197 357 Q C 2.155 178.156 176.000 0.002 0.000 0.964 357 Q CA 1.132 56.937 55.803 0.004 0.000 0.838 357 Q CB 0.175 28.915 28.738 0.004 0.000 0.906 357 Q HN 0.493 nan 8.270 nan 0.000 0.444 358 R N 0.339 120.840 120.500 0.002 0.000 2.276 358 R HA 0.058 4.398 4.340 -0.000 0.000 0.203 358 R C 0.594 176.892 176.300 -0.002 0.000 1.017 358 R CA 0.544 56.644 56.100 -0.000 0.000 1.010 358 R CB 0.209 30.509 30.300 0.000 0.000 0.900 358 R HN -0.069 nan 8.270 nan 0.000 0.469 359 K N 1.055 121.454 120.400 -0.002 0.000 2.633 359 K HA -0.004 4.316 4.320 -0.000 0.000 0.320 359 K C 0.210 176.808 176.600 -0.003 0.000 1.312 359 K CA -0.125 56.159 56.287 -0.005 0.000 1.081 359 K CB 0.771 33.266 32.500 -0.009 0.000 1.406 359 K HN -0.004 nan 8.250 nan 0.000 0.519 360 Q N 1.240 121.039 119.800 -0.002 0.000 2.500 360 Q HA -0.115 4.225 4.340 -0.000 0.000 0.213 360 Q C 0.519 176.519 176.000 -0.001 0.000 0.974 360 Q CA 1.341 57.145 55.803 0.002 0.000 0.918 360 Q CB -0.097 28.642 28.738 0.002 0.000 0.980 360 Q HN 0.467 nan 8.270 nan 0.000 0.505 361 N N 0.450 119.144 118.700 -0.010 0.000 2.412 361 N HA 0.033 4.773 4.740 -0.000 0.000 0.184 361 N C -0.522 174.971 175.510 -0.028 0.000 1.101 361 N CA 0.011 53.047 53.050 -0.023 0.000 0.881 361 N CB 0.309 38.777 38.487 -0.031 0.000 0.969 361 N HN 0.100 nan 8.380 nan 0.000 0.459 362 S N 0.784 116.477 115.700 -0.012 0.000 2.561 362 S HA 0.003 4.473 4.470 -0.000 0.000 0.294 362 S C -0.160 174.452 174.600 0.019 0.000 1.294 362 S CA 0.438 58.635 58.200 -0.004 0.000 1.055 362 S CB 0.306 63.513 63.200 0.010 0.000 0.819 362 S HN 0.214 nan 8.310 nan 0.000 0.503 363 K N 2.269 122.674 120.400 0.010 0.000 2.483 363 K HA 0.520 4.840 4.320 -0.000 0.000 0.256 363 K C -0.675 176.030 176.600 0.176 0.000 0.961 363 K CA -0.492 55.842 56.287 0.080 0.000 0.873 363 K CB 0.998 33.336 32.500 -0.270 0.000 1.107 363 K HN 0.527 nan 8.250 nan 0.000 0.432 364 I N 0.161 120.893 120.570 0.271 0.000 2.689 364 I HA 0.579 4.749 4.170 -0.000 0.000 0.299 364 I C -1.151 174.993 176.117 0.045 0.000 1.059 364 I CA -0.766 60.608 61.300 0.124 0.000 1.055 364 I CB 1.424 39.444 38.000 0.033 0.000 1.243 364 I HN 0.513 nan 8.210 nan 0.000 0.425 365 I N 5.947 126.465 120.570 -0.086 0.000 2.433 365 I HA 0.518 4.688 4.170 -0.000 0.000 0.292 365 I C -0.929 174.916 176.117 -0.453 0.000 1.001 365 I CA -1.110 59.988 61.300 -0.336 0.000 1.119 365 I CB 2.035 39.769 38.000 -0.444 0.000 1.289 365 I HN 0.360 nan 8.210 nan 0.000 0.438 366 V N 6.684 126.307 119.914 -0.484 0.000 2.384 366 V HA 0.419 4.539 4.120 -0.000 0.000 0.287 366 V C -0.447 175.359 176.094 -0.480 0.000 1.020 366 V CA -0.459 61.612 62.300 -0.382 0.000 0.850 366 V CB 1.428 33.117 31.823 -0.223 0.000 0.987 366 V HN 0.411 nan 8.190 nan 0.000 0.436 367 F N 2.557 122.319 119.950 -0.312 0.000 2.425 367 F HA 0.716 5.243 4.527 -0.000 0.000 0.331 367 F C 0.509 176.263 175.800 -0.076 0.000 1.085 367 F CA -0.260 57.586 58.000 -0.257 0.000 1.028 367 F CB 2.272 41.006 39.000 -0.445 0.000 1.177 367 F HN 0.463 nan 8.300 nan 0.000 0.487 368 T N 1.120 115.783 114.554 0.182 0.000 2.932 368 T HA 0.232 4.582 4.350 -0.000 0.000 0.318 368 T C 0.041 174.708 174.700 -0.055 0.000 1.265 368 T CA -0.670 61.486 62.100 0.094 0.000 1.036 368 T CB 1.197 70.099 68.868 0.057 0.000 1.209 368 T HN 0.613 nan 8.240 nan 0.000 0.484 369 N N 0.886 119.403 118.700 -0.305 0.000 2.331 369 N HA 0.118 4.858 4.740 -0.000 0.000 0.180 369 N C -0.564 174.554 175.510 -0.653 0.000 1.019 369 N CA 0.920 53.599 53.050 -0.619 0.000 0.881 369 N CB 0.036 37.892 38.487 -1.052 0.000 0.972 369 N HN 0.541 nan 8.380 nan 0.000 0.435 370 Y N -0.647 119.680 120.300 0.045 0.000 2.377 370 Y HA 0.439 4.989 4.550 -0.000 0.000 0.339 370 Y C 1.040 176.947 175.900 0.011 0.000 1.011 370 Y CA -1.138 56.980 58.100 0.030 0.000 1.093 370 Y CB 1.183 39.661 38.460 0.031 0.000 1.201 370 Y HN -0.296 nan 8.280 nan 0.000 0.455 371 R N 0.532 121.122 120.500 0.149 0.000 2.081 371 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 371 R C 1.374 177.713 176.300 0.066 0.000 1.131 371 R CA 1.418 57.567 56.100 0.081 0.000 0.960 371 R CB 0.059 30.401 30.300 0.070 0.000 0.856 371 R HN 0.748 nan 8.270 nan 0.000 0.436 372 E N 0.218 120.472 120.200 0.089 0.000 2.058 372 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 372 E C 2.066 178.678 176.600 0.019 0.000 0.997 372 E CA 1.697 58.124 56.400 0.046 0.000 0.801 372 E CB -0.426 29.297 29.700 0.039 0.000 0.746 372 E HN 0.297 nan 8.360 nan 0.000 0.450 373 T N 1.423 116.011 114.554 0.055 0.000 2.759 373 T HA -0.134 4.216 4.350 -0.000 0.000 0.269 373 T C 1.932 176.559 174.700 -0.121 0.000 1.042 373 T CA 1.524 63.612 62.100 -0.021 0.000 1.140 373 T CB -0.259 68.670 68.868 0.101 0.000 0.864 373 T HN 0.284 nan 8.240 nan 0.000 0.455 374 A N 1.732 124.516 122.820 -0.061 0.000 1.865 374 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 374 A C 2.251 179.770 177.584 -0.107 0.000 1.191 374 A CA 2.019 53.996 52.037 -0.099 0.000 0.623 374 A CB -0.610 18.362 19.000 -0.046 0.000 0.826 374 A HN 0.471 nan 8.150 nan 0.000 0.444 375 K N -0.182 120.178 120.400 -0.065 0.000 2.009 375 K HA -0.229 4.091 4.320 -0.000 0.000 0.210 375 K C 2.226 178.778 176.600 -0.080 0.000 1.049 375 K CA 2.009 58.258 56.287 -0.063 0.000 0.929 375 K CB -0.216 32.266 32.500 -0.032 0.000 0.714 375 K HN 0.453 nan 8.250 nan 0.000 0.440 376 K N 0.693 121.044 120.400 -0.081 0.000 2.103 376 K HA -0.144 4.176 4.320 -0.000 0.000 0.207 376 K C 1.992 178.517 176.600 -0.126 0.000 1.048 376 K CA 1.509 57.745 56.287 -0.085 0.000 0.930 376 K CB -0.087 32.370 32.500 -0.072 0.000 0.716 376 K HN 0.188 nan 8.250 nan 0.000 0.444 377 I N 0.521 120.975 120.570 -0.193 0.000 2.202 377 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 377 I C 2.172 178.193 176.117 -0.159 0.000 1.091 377 I CA 0.878 62.042 61.300 -0.227 0.000 1.368 377 I CB -0.231 37.568 38.000 -0.335 0.000 1.058 377 I HN -0.005 nan 8.210 nan 0.000 0.410 378 V N 1.470 121.294 119.914 -0.150 0.000 2.231 378 V HA -0.335 3.785 4.120 -0.000 0.000 0.248 378 V C 2.213 178.242 176.094 -0.110 0.000 1.054 378 V CA 2.223 64.440 62.300 -0.139 0.000 1.015 378 V CB -1.038 30.699 31.823 -0.143 0.000 0.638 378 V HN 0.464 nan 8.190 nan 0.000 0.444 379 N N 0.079 118.725 118.700 -0.091 0.000 2.043 379 N HA -0.220 4.520 4.740 -0.000 0.000 0.193 379 N C 1.942 177.418 175.510 -0.057 0.000 1.037 379 N CA 1.757 54.767 53.050 -0.067 0.000 0.851 379 N CB -0.469 37.987 38.487 -0.052 0.000 1.027 379 N HN 0.537 nan 8.380 nan 0.000 0.422 380 E N 0.879 121.043 120.200 -0.060 0.000 2.160 380 E HA -0.042 4.308 4.350 -0.000 0.000 0.195 380 E C 2.013 178.587 176.600 -0.043 0.000 0.991 380 E CA 0.655 57.029 56.400 -0.045 0.000 0.810 380 E CB -0.185 29.486 29.700 -0.048 0.000 0.742 380 E HN 0.352 nan 8.360 nan 0.000 0.466 381 L N -1.205 119.981 121.223 -0.060 0.000 2.127 381 L HA -0.036 4.304 4.340 -0.000 0.000 0.203 381 L C 2.361 179.205 176.870 -0.044 0.000 1.080 381 L CA 0.597 55.405 54.840 -0.053 0.000 0.768 381 L CB -0.304 41.713 42.059 -0.071 0.000 0.924 381 L HN 0.084 nan 8.230 nan 0.000 0.444 382 V N 0.405 120.286 119.914 -0.055 0.000 2.515 382 V HA -0.263 3.857 4.120 -0.000 0.000 0.250 382 V C 2.565 178.640 176.094 -0.032 0.000 1.058 382 V CA 1.772 64.044 62.300 -0.047 0.000 1.064 382 V CB -0.268 31.519 31.823 -0.061 0.000 0.675 382 V HN 0.438 nan 8.190 nan 0.000 0.461 383 K N -0.256 120.125 120.400 -0.031 0.000 2.147 383 K HA -0.140 4.180 4.320 -0.000 0.000 0.205 383 K C 1.232 177.824 176.600 -0.014 0.000 1.049 383 K CA 1.396 57.670 56.287 -0.021 0.000 0.936 383 K CB -0.170 32.319 32.500 -0.019 0.000 0.722 383 K HN 0.602 nan 8.250 nan 0.000 0.446 384 D N -1.033 119.358 120.400 -0.015 0.000 2.440 384 D HA 0.059 4.699 4.640 -0.000 0.000 0.269 384 D C -0.009 176.286 176.300 -0.008 0.000 1.249 384 D CA 0.057 54.052 54.000 -0.009 0.000 1.055 384 D CB 1.060 41.855 40.800 -0.009 0.000 1.104 384 D HN 0.233 nan 8.370 nan 0.000 0.561 385 G N 0.647 109.444 108.800 -0.004 0.000 3.574 385 G HA2 0.367 4.327 3.960 -0.000 0.000 0.262 385 G HA3 0.367 4.327 3.960 -0.000 0.000 0.262 385 G C 0.233 175.134 174.900 0.001 0.000 1.231 385 G CA -0.085 45.014 45.100 -0.001 0.000 1.608 385 G HN 0.311 nan 8.290 nan 0.000 0.628 386 I N -0.424 120.144 120.570 -0.003 0.000 2.569 386 I HA 0.283 4.453 4.170 -0.000 0.000 0.296 386 I C -0.149 175.969 176.117 0.002 0.000 1.028 386 I CA -0.956 60.345 61.300 0.002 0.000 1.082 386 I CB 2.538 40.535 38.000 -0.005 0.000 1.264 386 I HN -0.103 nan 8.210 nan 0.000 0.429 387 K N 5.333 125.751 120.400 0.030 0.000 2.183 387 K HA 0.560 4.880 4.320 -0.000 0.000 0.272 387 K C -0.465 176.165 176.600 0.049 0.000 1.113 387 K CA -0.185 56.133 56.287 0.053 0.000 0.949 387 K CB 0.697 33.267 32.500 0.117 0.000 1.365 387 K HN 0.668 nan 8.250 nan 0.000 0.420 388 A N 3.250 126.032 122.820 -0.063 0.000 2.355 388 A HA 0.594 4.914 4.320 -0.000 0.000 0.324 388 A C -0.821 176.537 177.584 -0.376 0.000 1.117 388 A CA -0.723 51.218 52.037 -0.161 0.000 0.785 388 A CB 1.157 20.074 19.000 -0.138 0.000 1.254 388 A HN 0.582 nan 8.150 nan 0.000 0.453 389 K N 0.675 120.695 120.400 -0.633 0.000 2.535 389 K HA 0.452 4.772 4.320 -0.000 0.000 0.250 389 K C -0.582 175.713 176.600 -0.509 0.000 0.948 389 K CA -0.706 55.112 56.287 -0.783 0.000 0.796 389 K CB 1.599 33.108 32.500 -1.652 0.000 1.216 389 K HN 0.784 nan 8.250 nan 0.000 0.432 390 R N 3.425 123.738 120.500 -0.312 0.000 2.543 390 R HA 0.234 4.574 4.340 -0.000 0.000 0.277 390 R C -1.482 174.776 176.300 -0.069 0.000 1.074 390 R CA 0.250 56.253 56.100 -0.162 0.000 1.076 390 R CB 0.337 30.566 30.300 -0.117 0.000 0.993 390 R HN 0.585 nan 8.270 nan 0.000 0.459 391 F N 6.105 125.960 119.950 -0.158 0.000 2.507 391 F HA 0.639 5.166 4.527 -0.000 0.000 0.328 391 F C -1.278 174.490 175.800 -0.052 0.000 1.136 391 F CA -0.854 57.090 58.000 -0.094 0.000 0.930 391 F CB 1.397 40.346 39.000 -0.085 0.000 1.166 391 F HN 0.435 nan 8.300 nan 0.000 0.436 406 R N 1.316 121.812 120.500 -0.007 0.000 2.139 406 R HA -0.091 4.249 4.340 -0.000 0.000 0.243 406 R C 1.586 177.867 176.300 -0.031 0.000 1.145 406 R CA 1.991 58.084 56.100 -0.011 0.000 0.976 406 R CB -0.242 30.054 30.300 -0.006 0.000 0.866 406 R HN 0.483 nan 8.270 nan 0.000 0.449 407 E N -0.100 120.069 120.200 -0.052 0.000 2.112 407 E HA -0.083 4.267 4.350 -0.000 0.000 0.190 407 E C 1.853 178.363 176.600 -0.150 0.000 0.979 407 E CA 0.682 57.032 56.400 -0.083 0.000 0.814 407 E CB -0.114 29.533 29.700 -0.089 0.000 0.762 407 E HN 0.348 nan 8.360 nan 0.000 0.460 408 Q N 0.898 120.583 119.800 -0.192 0.000 2.029 408 Q HA -0.277 4.063 4.340 -0.000 0.000 0.209 408 Q C 2.240 178.101 176.000 -0.231 0.000 0.999 408 Q CA 1.860 57.440 55.803 -0.372 0.000 0.857 408 Q CB -0.284 28.339 28.738 -0.191 0.000 0.926 408 Q HN 0.171 nan 8.270 nan 0.000 0.415 409 K N 0.854 121.214 120.400 -0.067 0.000 2.063 409 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 409 K C 2.107 178.703 176.600 -0.007 0.000 1.048 409 K CA 0.903 57.190 56.287 0.001 0.000 0.928 409 K CB -0.207 32.305 32.500 0.021 0.000 0.713 409 K HN 0.192 nan 8.250 nan 0.000 0.442 410 L N 1.211 122.416 121.223 -0.030 0.000 1.970 410 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 410 L C 2.493 179.369 176.870 0.010 0.000 1.071 410 L CA 1.625 56.458 54.840 -0.012 0.000 0.751 410 L CB -0.323 41.723 42.059 -0.022 0.000 0.889 410 L HN 0.381 nan 8.230 nan 0.000 0.432 411 I N -0.783 119.773 120.570 -0.025 0.000 2.264 411 I HA -0.325 3.845 4.170 -0.000 0.000 0.248 411 I C 2.373 178.590 176.117 0.167 0.000 1.111 411 I CA 1.307 62.645 61.300 0.062 0.000 1.382 411 I CB 0.081 38.029 38.000 -0.087 0.000 1.060 411 I HN 0.306 nan 8.210 nan 0.000 0.418 412 L N 1.249 122.523 121.223 0.084 0.000 2.083 412 L HA -0.254 4.086 4.340 -0.000 0.000 0.209 412 L C 2.083 179.043 176.870 0.149 0.000 1.083 412 L CA 1.938 56.907 54.840 0.215 0.000 0.752 412 L CB -1.002 41.192 42.059 0.225 0.000 0.899 412 L HN 0.298 nan 8.230 nan 0.000 0.433 413 D N -0.666 119.779 120.400 0.074 0.000 2.144 413 D HA -0.178 4.462 4.640 -0.000 0.000 0.200 413 D C 1.976 178.272 176.300 -0.007 0.000 0.978 413 D CA 1.160 55.173 54.000 0.022 0.000 0.833 413 D CB 0.129 40.938 40.800 0.015 0.000 0.961 413 D HN 0.530 nan 8.370 nan 0.000 0.470 414 E N 0.118 120.333 120.200 0.026 0.000 2.077 414 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 414 E C 2.026 178.499 176.600 -0.212 0.000 0.989 414 E CA 0.392 56.781 56.400 -0.018 0.000 0.800 414 E CB -0.263 29.522 29.700 0.142 0.000 0.746 414 E HN 0.330 nan 8.360 nan 0.000 0.452 415 F N 1.404 121.046 119.950 -0.514 0.000 2.095 415 F HA -0.255 4.271 4.527 -0.000 0.000 0.298 415 F C 2.353 177.919 175.800 -0.390 0.000 1.104 415 F CA 0.975 58.518 58.000 -0.762 0.000 1.232 415 F CB 0.030 38.778 39.000 -0.420 0.000 0.987 415 F HN 0.008 nan 8.300 nan 0.000 0.475 416 A N 0.636 123.279 122.820 -0.296 0.000 1.877 416 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 416 A C 2.061 179.489 177.584 -0.261 0.000 1.186 416 A CA 1.840 53.675 52.037 -0.338 0.000 0.620 416 A CB -0.750 18.136 19.000 -0.191 0.000 0.822 416 A HN 0.430 nan 8.150 nan 0.000 0.443 417 R N -1.841 118.552 120.500 -0.178 0.000 2.148 417 R HA 0.106 4.446 4.340 -0.000 0.000 0.227 417 R C 1.353 177.569 176.300 -0.140 0.000 1.103 417 R CA 1.055 57.076 56.100 -0.132 0.000 0.983 417 R CB -0.107 30.143 30.300 -0.084 0.000 0.874 417 R HN 0.802 nan 8.270 nan 0.000 0.451 418 G N -0.893 107.799 108.800 -0.180 0.000 2.164 418 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.154 418 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.154 418 G C 0.422 175.257 174.900 -0.108 0.000 1.014 418 G CA 0.151 45.164 45.100 -0.146 0.000 0.683 418 G HN 0.245 nan 8.290 nan 0.000 0.500 419 E N 0.157 120.277 120.200 -0.132 0.000 2.019 419 E HA 0.039 4.389 4.350 -0.000 0.000 0.208 419 E C 1.207 177.841 176.600 0.055 0.000 1.030 419 E CA 2.275 58.659 56.400 -0.027 0.000 0.856 419 E CB -0.175 29.545 29.700 0.033 0.000 0.781 419 E HN 0.857 nan 8.360 nan 0.000 0.471 420 F N -1.839 118.159 119.950 0.079 0.000 2.497 420 F HA 0.523 5.050 4.527 -0.000 0.000 0.331 420 F C 0.973 176.846 175.800 0.121 0.000 1.060 420 F CA -1.020 57.013 58.000 0.054 0.000 0.989 420 F CB 0.688 39.684 39.000 -0.006 0.000 1.245 420 F HN -0.230 nan 8.300 nan 0.000 0.486 421 N N -0.026 118.834 118.700 0.267 0.000 2.409 421 N HA 0.094 4.833 4.740 -0.000 0.000 0.174 421 N C -0.462 175.187 175.510 0.232 0.000 1.037 421 N CA 0.646 53.818 53.050 0.204 0.000 0.898 421 N CB 0.964 39.521 38.487 0.117 0.000 1.010 421 N HN 0.305 nan 8.380 nan 0.000 0.445 422 V N 2.164 122.202 119.914 0.206 0.000 2.448 422 V HA 0.343 4.463 4.120 -0.000 0.000 0.295 422 V C -0.655 175.374 176.094 -0.109 0.000 1.025 422 V CA -0.885 61.420 62.300 0.009 0.000 0.859 422 V CB 2.367 34.166 31.823 -0.040 0.000 0.988 422 V HN -0.008 nan 8.190 nan 0.000 0.431 423 L N 6.447 127.422 121.223 -0.413 0.000 2.280 423 L HA 0.654 4.994 4.340 -0.000 0.000 0.287 423 L C -0.520 176.129 176.870 -0.367 0.000 1.023 423 L CA 0.067 54.641 54.840 -0.444 0.000 0.819 423 L CB 1.603 43.172 42.059 -0.815 0.000 1.212 423 L HN 0.460 nan 8.230 nan 0.000 0.420 424 V N 5.649 125.395 119.914 -0.280 0.000 2.328 424 V HA 0.894 5.014 4.120 -0.000 0.000 0.278 424 V C 0.247 176.223 176.094 -0.195 0.000 1.021 424 V CA 0.014 62.160 62.300 -0.258 0.000 0.838 424 V CB 0.586 32.282 31.823 -0.212 0.000 0.999 424 V HN 0.967 nan 8.190 nan 0.000 0.447 425 A N 3.615 126.286 122.820 -0.249 0.000 2.569 425 A HA 0.903 5.223 4.320 -0.000 0.000 0.290 425 A C -0.269 177.310 177.584 -0.009 0.000 1.136 425 A CA -0.405 51.547 52.037 -0.142 0.000 0.710 425 A CB 2.133 20.962 19.000 -0.285 0.000 1.303 425 A HN 0.611 nan 8.150 nan 0.000 0.413 426 T N -1.108 113.462 114.554 0.026 0.000 2.880 426 T HA 0.410 4.760 4.350 -0.000 0.000 0.279 426 T C 1.560 176.307 174.700 0.079 0.000 0.990 426 T CA 0.514 62.649 62.100 0.058 0.000 0.938 426 T CB 0.628 69.507 68.868 0.018 0.000 1.206 426 T HN 0.737 nan 8.240 nan 0.000 0.573 427 S N 0.318 116.020 115.700 0.003 0.000 2.389 427 S HA -0.165 4.305 4.470 -0.000 0.000 0.231 427 S C 2.041 176.618 174.600 -0.038 0.000 1.052 427 S CA 1.592 59.759 58.200 -0.055 0.000 1.053 427 S CB -0.906 62.254 63.200 -0.066 0.000 0.886 427 S HN 0.590 nan 8.310 nan 0.000 0.456 428 V N 1.844 121.743 119.914 -0.025 0.000 2.720 428 V HA -0.041 4.079 4.120 -0.000 0.000 0.256 428 V C 1.731 177.728 176.094 -0.161 0.000 1.082 428 V CA 1.805 64.084 62.300 -0.035 0.000 1.101 428 V CB -0.846 30.992 31.823 0.026 0.000 0.693 428 V HN 0.548 nan 8.190 nan 0.000 0.479 429 G N 0.189 108.827 108.800 -0.270 0.000 3.379 429 G HA2 0.053 4.013 3.960 -0.000 0.000 0.253 429 G HA3 0.053 4.013 3.960 -0.000 0.000 0.253 429 G C 0.883 175.691 174.900 -0.153 0.000 1.262 429 G CA 0.462 45.160 45.100 -0.670 0.000 0.959 429 G HN 0.782 nan 8.290 nan 0.000 0.524 430 E N -0.329 119.885 120.200 0.024 0.000 2.478 430 E HA -0.060 4.290 4.350 -0.000 0.000 0.198 430 E C 1.672 178.336 176.600 0.106 0.000 1.046 430 E CA 0.692 57.175 56.400 0.138 0.000 0.870 430 E CB -0.020 29.680 29.700 -0.001 0.000 0.818 430 E HN 0.479 nan 8.360 nan 0.000 0.527 431 E N 0.369 120.591 120.200 0.038 0.000 2.482 431 E HA -0.029 4.321 4.350 -0.000 0.000 0.196 431 E C 1.680 178.358 176.600 0.131 0.000 1.047 431 E CA 0.593 57.048 56.400 0.093 0.000 0.869 431 E CB -0.185 29.587 29.700 0.120 0.000 0.836 431 E HN 0.509 nan 8.360 nan 0.000 0.520 432 G N 0.593 109.459 108.800 0.111 0.000 2.534 432 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.217 432 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.217 432 G C 1.382 176.385 174.900 0.172 0.000 1.128 432 G CA -0.024 45.188 45.100 0.187 0.000 0.784 432 G HN 0.190 nan 8.290 nan 0.000 0.542 433 L N 0.176 121.499 121.223 0.167 0.000 2.465 433 L HA 0.060 4.400 4.340 -0.000 0.000 0.224 433 L C 1.561 178.512 176.870 0.136 0.000 1.145 433 L CA 0.414 55.349 54.840 0.159 0.000 0.834 433 L CB 0.031 42.205 42.059 0.191 0.000 0.944 433 L HN 0.033 nan 8.230 nan 0.000 0.451 434 D N -0.559 119.920 120.400 0.133 0.000 2.340 434 D HA 0.058 4.698 4.640 -0.000 0.000 0.220 434 D C 0.394 176.738 176.300 0.074 0.000 1.039 434 D CA 0.297 54.394 54.000 0.162 0.000 0.866 434 D CB 0.446 41.334 40.800 0.147 0.000 0.913 434 D HN -0.009 nan 8.370 nan 0.000 0.523 435 V N 2.506 122.395 119.914 -0.041 0.000 2.530 435 V HA 0.162 4.282 4.120 -0.000 0.000 0.282 435 V C -1.933 173.886 176.094 -0.458 0.000 1.048 435 V CA -1.466 60.711 62.300 -0.204 0.000 0.997 435 V CB 1.305 32.997 31.823 -0.218 0.000 0.987 435 V HN -0.072 nan 8.190 nan 0.000 0.477 436 P HA 0.025 nan 4.420 nan 0.000 0.268 436 P C 0.362 177.397 177.300 -0.442 0.000 1.208 436 P CA -0.058 62.547 63.100 -0.825 0.000 0.777 436 P CB 0.223 31.629 31.700 -0.491 0.000 0.875 437 E N 0.051 120.071 120.200 -0.299 0.000 2.199 437 E HA -0.223 4.127 4.350 -0.000 0.000 0.208 437 E C -0.602 175.888 176.600 -0.183 0.000 1.310 437 E CA -0.238 56.059 56.400 -0.172 0.000 0.709 437 E CB -0.639 28.975 29.700 -0.143 0.000 1.127 437 E HN 0.206 nan 8.360 nan 0.000 0.354 438 V N 1.365 121.178 119.914 -0.167 0.000 2.372 438 V HA 0.067 4.187 4.120 -0.000 0.000 0.261 438 V C 0.797 176.861 176.094 -0.051 0.000 1.055 438 V CA 0.583 62.806 62.300 -0.128 0.000 0.930 438 V CB 1.152 32.928 31.823 -0.078 0.000 1.031 438 V HN 0.367 nan 8.190 nan 0.000 0.479 439 D N 4.940 125.314 120.400 -0.043 0.000 2.104 439 D HA 0.011 4.651 4.640 -0.000 0.000 0.194 439 D C 0.414 176.713 176.300 -0.003 0.000 0.994 439 D CA 2.172 56.160 54.000 -0.020 0.000 0.830 439 D CB 0.106 40.896 40.800 -0.017 0.000 0.959 439 D HN 0.627 nan 8.370 nan 0.000 0.452 440 L N -1.287 119.941 121.223 0.008 0.000 2.556 440 L HA 0.488 4.828 4.340 -0.000 0.000 0.257 440 L C -1.780 175.085 176.870 -0.008 0.000 0.955 440 L CA -1.037 53.806 54.840 0.006 0.000 0.850 440 L CB 1.917 43.978 42.059 0.004 0.000 1.398 440 L HN -0.127 nan 8.230 nan 0.000 0.412 441 V N 2.380 122.285 119.914 -0.016 0.000 2.680 441 V HA 0.898 5.018 4.120 -0.000 0.000 0.309 441 V C -1.550 174.491 176.094 -0.089 0.000 1.052 441 V CA -0.440 61.802 62.300 -0.097 0.000 0.908 441 V CB 1.773 33.543 31.823 -0.089 0.000 1.001 441 V HN 0.937 nan 8.190 nan 0.000 0.431 442 V N 6.123 125.940 119.914 -0.161 0.000 2.531 442 V HA 0.666 4.786 4.120 -0.000 0.000 0.301 442 V C -1.184 174.839 176.094 -0.120 0.000 1.034 442 V CA -0.538 61.725 62.300 -0.061 0.000 0.865 442 V CB 1.696 33.514 31.823 -0.009 0.000 0.995 442 V HN 0.838 nan 8.190 nan 0.000 0.424 443 F N 6.554 126.538 119.950 0.056 0.000 2.421 443 F HA 0.354 4.881 4.527 -0.000 0.000 0.358 443 F C 0.891 176.729 175.800 0.063 0.000 1.115 443 F CA 0.109 58.153 58.000 0.072 0.000 1.160 443 F CB 1.064 40.040 39.000 -0.039 0.000 1.123 443 F HN 0.704 nan 8.300 nan 0.000 0.508 444 Y N 1.609 121.968 120.300 0.097 0.000 2.274 444 Y HA -0.123 4.427 4.550 -0.000 0.000 0.290 444 Y C 0.233 176.167 175.900 0.057 0.000 1.145 444 Y CA 1.072 59.194 58.100 0.035 0.000 1.203 444 Y CB 0.343 38.805 38.460 0.005 0.000 0.984 444 Y HN 0.536 nan 8.280 nan 0.000 0.533 445 E N -1.648 118.649 120.200 0.162 0.000 2.412 445 E HA 0.300 4.650 4.350 -0.000 0.000 0.279 445 E C -2.807 173.796 176.600 0.005 0.000 0.984 445 E CA -2.516 53.913 56.400 0.047 0.000 0.788 445 E CB 1.300 31.055 29.700 0.092 0.000 1.277 445 E HN -0.232 nan 8.360 nan 0.000 0.455 446 P HA 0.050 nan 4.420 nan 0.000 0.267 446 P C -0.847 176.199 177.300 -0.423 0.000 1.209 446 P CA -0.039 62.808 63.100 -0.423 0.000 0.763 446 P CB 0.421 31.765 31.700 -0.593 0.000 0.816 447 V N 7.837 127.551 119.914 -0.333 0.000 2.239 447 V HA 0.132 4.252 4.120 -0.000 0.000 0.267 447 V C -1.386 174.546 176.094 -0.270 0.000 1.056 447 V CA -1.560 60.613 62.300 -0.210 0.000 0.830 447 V CB 0.860 32.683 31.823 -0.001 0.000 1.090 447 V HN 0.486 nan 8.190 nan 0.000 0.459 448 P HA -0.351 nan 4.420 nan 0.000 0.222 448 P C 2.058 179.281 177.300 -0.128 0.000 1.147 448 P CA 2.608 65.627 63.100 -0.133 0.000 0.958 448 P CB 0.074 31.765 31.700 -0.016 0.000 0.788 449 S N -0.940 114.693 115.700 -0.112 0.000 2.359 449 S HA -0.247 4.223 4.470 -0.000 0.000 0.223 449 S C 2.092 176.612 174.600 -0.133 0.000 1.039 449 S CA 1.830 59.971 58.200 -0.099 0.000 1.042 449 S CB -1.582 61.564 63.200 -0.090 0.000 0.915 449 S HN 0.216 nan 8.310 nan 0.000 0.439 450 A N 1.848 124.535 122.820 -0.221 0.000 1.873 450 A HA 0.137 4.457 4.320 -0.000 0.000 0.215 450 A C 2.324 179.859 177.584 -0.082 0.000 1.186 450 A CA 1.424 53.287 52.037 -0.290 0.000 0.616 450 A CB -0.884 17.644 19.000 -0.787 0.000 0.823 450 A HN 0.608 nan 8.150 nan 0.000 0.442 451 I N -1.152 119.294 120.570 -0.207 0.000 2.264 451 I HA -0.263 3.907 4.170 -0.000 0.000 0.248 451 I C 2.793 178.868 176.117 -0.069 0.000 1.111 451 I CA 1.327 62.454 61.300 -0.287 0.000 1.382 451 I CB -0.324 37.300 38.000 -0.627 0.000 1.060 451 I HN 0.338 nan 8.210 nan 0.000 0.418 452 R N 0.130 120.588 120.500 -0.070 0.000 2.066 452 R HA -0.168 4.172 4.340 -0.000 0.000 0.232 452 R C 2.599 178.922 176.300 0.037 0.000 1.131 452 R CA 1.713 57.808 56.100 -0.008 0.000 0.955 452 R CB -0.283 30.005 30.300 -0.021 0.000 0.851 452 R HN 0.229 nan 8.270 nan 0.000 0.432 453 S N 0.740 116.453 115.700 0.023 0.000 2.359 453 S HA -0.185 4.285 4.470 -0.000 0.000 0.222 453 S C 1.971 176.629 174.600 0.096 0.000 1.038 453 S CA 1.608 59.837 58.200 0.049 0.000 1.051 453 S CB -0.278 62.938 63.200 0.028 0.000 0.944 453 S HN 0.294 nan 8.310 nan 0.000 0.433 454 I N 0.944 121.602 120.570 0.146 0.000 2.194 454 I HA -0.259 3.911 4.170 -0.000 0.000 0.246 454 I C 2.878 179.092 176.117 0.162 0.000 1.093 454 I CA 1.765 63.175 61.300 0.183 0.000 1.355 454 I CB -0.468 37.716 38.000 0.307 0.000 1.046 454 I HN 0.464 nan 8.210 nan 0.000 0.413 455 Q N 0.422 120.348 119.800 0.209 0.000 2.096 455 Q HA -0.216 4.124 4.340 -0.000 0.000 0.204 455 Q C 2.397 178.460 176.000 0.104 0.000 0.982 455 Q CA 1.607 57.519 55.803 0.182 0.000 0.850 455 Q CB 0.054 28.895 28.738 0.172 0.000 0.901 455 Q HN 0.425 nan 8.270 nan 0.000 0.422 456 R N -0.145 120.408 120.500 0.088 0.000 2.062 456 R HA -0.074 4.266 4.340 -0.000 0.000 0.231 456 R C 2.239 178.578 176.300 0.066 0.000 1.136 456 R CA 1.299 57.440 56.100 0.068 0.000 0.948 456 R CB -0.282 30.054 30.300 0.060 0.000 0.845 456 R HN 0.237 nan 8.270 nan 0.000 0.430 457 R N 0.344 120.885 120.500 0.069 0.000 2.154 457 R HA -0.113 4.227 4.340 -0.000 0.000 0.248 457 R C 2.208 178.538 176.300 0.050 0.000 1.155 457 R CA 1.568 57.704 56.100 0.059 0.000 0.979 457 R CB -1.215 29.126 30.300 0.068 0.000 0.869 457 R HN 0.349 nan 8.270 nan 0.000 0.452 458 G N 1.049 109.880 108.800 0.051 0.000 2.470 458 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.220 458 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.220 458 G C 1.616 176.551 174.900 0.059 0.000 1.121 458 G CA 0.420 45.545 45.100 0.041 0.000 0.766 458 G HN 0.270 nan 8.290 nan 0.000 0.553 459 R N -0.285 120.254 120.500 0.066 0.000 2.173 459 R HA 0.158 4.498 4.340 -0.000 0.000 0.208 459 R C 2.043 178.396 176.300 0.089 0.000 1.035 459 R CA 1.034 57.184 56.100 0.084 0.000 1.004 459 R CB -0.027 30.314 30.300 0.069 0.000 0.917 459 R HN 0.470 nan 8.270 nan 0.000 0.462 460 T N -4.163 110.429 114.554 0.064 0.000 2.920 460 T HA 0.408 4.758 4.350 -0.000 0.000 0.292 460 T C 1.115 175.835 174.700 0.033 0.000 1.093 460 T CA -0.295 61.832 62.100 0.046 0.000 0.944 460 T CB 1.231 70.118 68.868 0.032 0.000 1.605 460 T HN 0.090 nan 8.240 nan 0.000 0.590 461 G N -0.477 108.325 108.800 0.003 0.000 3.863 461 G HA2 0.299 4.259 3.960 -0.000 0.000 0.290 461 G HA3 0.299 4.259 3.960 -0.000 0.000 0.290 461 G C 0.326 175.181 174.900 -0.074 0.000 1.018 461 G CA -0.610 44.478 45.100 -0.021 0.000 0.824 461 G HN 0.570 nan 8.290 nan 0.000 0.507 462 R N 0.066 120.532 120.500 -0.057 0.000 2.707 462 R HA 0.258 4.598 4.340 -0.000 0.000 0.270 462 R C -0.285 175.965 176.300 -0.082 0.000 1.083 462 R CA -0.544 55.497 56.100 -0.098 0.000 1.182 462 R CB 0.419 30.711 30.300 -0.013 0.000 1.084 462 R HN 0.411 nan 8.270 nan 0.000 0.528 463 H N 0.431 119.513 119.070 0.020 0.000 3.064 463 H HA -0.046 4.510 4.556 -0.000 0.000 0.329 463 H C -0.065 175.278 175.328 0.023 0.000 1.020 463 H CA 0.601 56.657 56.048 0.014 0.000 1.402 463 H CB 0.410 30.176 29.762 0.006 0.000 1.379 463 H HN 0.240 nan 8.280 nan 0.000 0.594 464 M N 4.295 123.984 119.600 0.148 0.000 2.464 464 M HA 0.395 4.875 4.480 -0.000 0.000 0.308 464 M C -2.612 173.728 176.300 0.067 0.000 1.127 464 M CA -1.959 53.393 55.300 0.087 0.000 0.913 464 M CB 1.797 34.423 32.600 0.043 0.000 1.689 464 M HN 0.284 nan 8.290 nan 0.000 0.445 465 P HA 0.251 nan 4.420 nan 0.000 0.269 465 P C 0.337 177.644 177.300 0.011 0.000 1.215 465 P CA -0.098 63.024 63.100 0.037 0.000 0.780 465 P CB 0.574 32.309 31.700 0.057 0.000 0.898 466 G N 1.837 110.639 108.800 0.002 0.000 2.421 466 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.216 466 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.216 466 G C 0.278 175.170 174.900 -0.012 0.000 1.171 466 G CA 0.521 45.618 45.100 -0.006 0.000 0.775 466 G HN 0.689 nan 8.290 nan 0.000 0.543 467 R N -1.788 118.708 120.500 -0.007 0.000 2.710 467 R HA 0.610 4.950 4.340 -0.000 0.000 0.270 467 R C -1.837 174.470 176.300 0.011 0.000 1.021 467 R CA -0.834 55.259 56.100 -0.011 0.000 0.889 467 R CB 1.914 32.212 30.300 -0.003 0.000 1.243 467 R HN 0.359 nan 8.270 nan 0.000 0.464 468 V N 0.675 120.600 119.914 0.019 0.000 2.709 468 V HA 0.703 4.823 4.120 -0.000 0.000 0.308 468 V C -1.018 175.137 176.094 0.101 0.000 1.062 468 V CA -0.767 61.592 62.300 0.098 0.000 0.901 468 V CB 1.804 33.761 31.823 0.225 0.000 1.003 468 V HN 0.820 nan 8.190 nan 0.000 0.425 469 I N 5.863 126.499 120.570 0.110 0.000 2.474 469 I HA 0.552 4.722 4.170 -0.000 0.000 0.294 469 I C -0.836 175.325 176.117 0.073 0.000 1.005 469 I CA -0.809 60.523 61.300 0.054 0.000 1.113 469 I CB 2.164 40.184 38.000 0.034 0.000 1.289 469 I HN 0.474 nan 8.210 nan 0.000 0.436 470 I N 6.744 127.240 120.570 -0.123 0.000 2.382 470 I HA 0.372 4.542 4.170 -0.000 0.000 0.286 470 I C -0.134 175.920 176.117 -0.104 0.000 1.002 470 I CA -0.476 60.696 61.300 -0.214 0.000 1.135 470 I CB 1.330 38.796 38.000 -0.890 0.000 1.288 470 I HN 0.378 nan 8.210 nan 0.000 0.448 471 L N 7.310 128.514 121.223 -0.032 0.000 2.349 471 L HA 0.504 4.844 4.340 -0.000 0.000 0.275 471 L C 0.156 177.007 176.870 -0.032 0.000 1.115 471 L CA -0.274 54.534 54.840 -0.055 0.000 0.820 471 L CB 0.873 42.849 42.059 -0.138 0.000 1.135 471 L HN 0.604 nan 8.230 nan 0.000 0.445 472 M N 2.165 121.755 119.600 -0.017 0.000 2.324 472 M HA 0.707 5.187 4.480 -0.000 0.000 0.288 472 M C -1.020 175.258 176.300 -0.037 0.000 1.097 472 M CA -0.691 54.611 55.300 0.003 0.000 0.928 472 M CB 2.084 34.722 32.600 0.064 0.000 1.648 472 M HN 0.452 nan 8.290 nan 0.000 0.460 473 A N 3.187 125.998 122.820 -0.015 0.000 2.354 473 A HA 0.370 4.690 4.320 -0.000 0.000 0.281 473 A C 0.014 177.599 177.584 0.001 0.000 1.174 473 A CA -0.471 51.559 52.037 -0.011 0.000 0.828 473 A CB 0.343 19.360 19.000 0.029 0.000 1.099 473 A HN 0.933 nan 8.150 nan 0.000 0.516 474 K N 2.147 122.537 120.400 -0.016 0.000 2.524 474 K HA 0.256 4.576 4.320 -0.000 0.000 0.279 474 K C 1.349 177.974 176.600 0.041 0.000 0.993 474 K CA 1.300 57.588 56.287 0.002 0.000 1.030 474 K CB -0.001 32.497 32.500 -0.004 0.000 0.891 474 K HN 1.522 nan 8.250 nan 0.000 0.488 475 G N 2.024 110.864 108.800 0.066 0.000 2.396 475 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.242 475 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.242 475 G C 0.584 175.532 174.900 0.080 0.000 1.069 475 G CA 0.684 45.829 45.100 0.075 0.000 0.633 475 G HN 0.791 nan 8.290 nan 0.000 0.517 476 T N -0.706 113.898 114.554 0.082 0.000 3.018 476 T HA 0.472 4.822 4.350 -0.000 0.000 0.338 476 T C 1.750 176.521 174.700 0.118 0.000 1.208 476 T CA 0.657 62.811 62.100 0.090 0.000 0.963 476 T CB 0.443 69.367 68.868 0.093 0.000 1.697 476 T HN 0.216 nan 8.240 nan 0.000 0.560 477 R N -0.190 120.392 120.500 0.138 0.000 2.275 477 R HA 0.021 4.361 4.340 -0.000 0.000 0.199 477 R C 1.579 178.040 176.300 0.268 0.000 0.989 477 R CA 0.524 56.742 56.100 0.196 0.000 1.016 477 R CB -0.124 30.308 30.300 0.220 0.000 0.918 477 R HN 0.559 nan 8.270 nan 0.000 0.473 478 D N 0.748 121.259 120.400 0.186 0.000 2.144 478 D HA -0.201 4.439 4.640 -0.000 0.000 0.199 478 D C 1.572 177.990 176.300 0.196 0.000 0.984 478 D CA 1.192 55.295 54.000 0.172 0.000 0.834 478 D CB 0.023 40.878 40.800 0.092 0.000 0.955 478 D HN 0.310 nan 8.370 nan 0.000 0.465 479 E N 0.122 120.402 120.200 0.133 0.000 2.150 479 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 479 E C 1.936 178.627 176.600 0.152 0.000 0.985 479 E CA 0.781 57.229 56.400 0.079 0.000 0.814 479 E CB 0.057 29.844 29.700 0.145 0.000 0.752 479 E HN 0.187 nan 8.360 nan 0.000 0.466 480 A N 0.379 123.320 122.820 0.202 0.000 1.865 480 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 480 A C 1.802 179.396 177.584 0.016 0.000 1.191 480 A CA 1.562 53.672 52.037 0.122 0.000 0.623 480 A CB -1.029 17.980 19.000 0.016 0.000 0.826 480 A HN 0.427 nan 8.150 nan 0.000 0.444 481 Y N -2.021 118.289 120.300 0.016 0.000 2.403 481 Y HA -0.172 4.378 4.550 -0.000 0.000 0.291 481 Y C 2.175 177.958 175.900 -0.194 0.000 1.143 481 Y CA 1.181 59.267 58.100 -0.024 0.000 1.257 481 Y CB -0.739 37.754 38.460 0.055 0.000 0.984 481 Y HN 0.576 nan 8.280 nan 0.000 0.550 482 Y N -1.403 118.689 120.300 -0.348 0.000 2.184 482 Y HA -0.219 4.331 4.550 -0.000 0.000 0.290 482 Y C 1.627 176.976 175.900 -0.918 0.000 1.129 482 Y CA 1.337 58.807 58.100 -1.050 0.000 1.144 482 Y CB -0.484 37.288 38.460 -1.148 0.000 0.995 482 Y HN 0.072 nan 8.280 nan 0.000 0.513 483 W N -0.548 120.545 121.300 -0.345 0.000 2.453 483 W HA -0.013 4.646 4.660 -0.000 0.000 0.289 483 W C 2.424 178.741 176.519 -0.337 0.000 1.215 483 W CA 0.861 57.981 57.345 -0.374 0.000 1.297 483 W CB -0.563 28.804 29.460 -0.155 0.000 1.113 483 W HN -0.186 nan 8.180 nan 0.000 0.551 484 S N -0.062 115.591 115.700 -0.079 0.000 2.653 484 S HA -0.109 4.361 4.470 -0.000 0.000 0.233 484 S C 1.697 176.193 174.600 -0.174 0.000 0.970 484 S CA 1.284 59.412 58.200 -0.120 0.000 0.947 484 S CB -0.467 62.633 63.200 -0.166 0.000 0.771 484 S HN 0.336 nan 8.310 nan 0.000 0.538 485 S N -0.001 115.505 115.700 -0.324 0.000 2.631 485 S HA 0.237 4.707 4.470 -0.000 0.000 0.246 485 S C 1.196 175.541 174.600 -0.425 0.000 1.068 485 S CA -0.440 57.539 58.200 -0.368 0.000 0.995 485 S CB -0.138 62.705 63.200 -0.595 0.000 0.944 485 S HN 0.223 nan 8.310 nan 0.000 0.529 486 R N 2.581 122.753 120.500 -0.547 0.000 2.369 486 R HA 0.189 4.529 4.340 -0.000 0.000 0.200 486 R C 0.680 176.880 176.300 -0.167 0.000 1.046 486 R CA 0.577 56.423 56.100 -0.423 0.000 1.057 486 R CB -0.340 29.740 30.300 -0.366 0.000 0.888 486 R HN 0.833 nan 8.270 nan 0.000 0.474 487 Q N 0.000 119.717 119.800 -0.139 0.000 2.315 487 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 487 Q CA 0.000 55.759 55.803 -0.074 0.000 1.022 487 Q CB 0.000 28.702 28.738 -0.060 0.000 1.108 487 Q HN 0.000 nan 8.270 nan 0.000 0.481