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 2z67_1_A DATA FIRST_RESID 2 DATA SEQUENCE LDFNIEGLIP KNXEKRGELV LNEYLKEIED VFNHRKIPEN GIDDEKIKLF DATA SEQUENCE LKFLSXXDTD KDPKSVRIGE REARTYSKIH EELSSGFCHG IGRSGNLVDP DATA SEQUENCE QPKASGASIX YALTNKILES FFKQLGLNVH AIATPISTGX SISLCLSAAR DATA SEQUENCE KKYGSNVVIY PYASHKSPIK AVSFVGXNXR LVETVLDGDR VYVPVEDIEN DATA SEQUENCE AIKKEIELGN RPCVLSTLTF FPPRNSDDIV EIAKICENYD IPHIINGAYA DATA SEQUENCE IQNNYYLEKL KKAFKYRVDA VVSSSDKNLL TPIGGGLVYS TDAEFIKEIS DATA SEQUENCE LSYPGRASAT PVVNTLVSLL SXGSKNYLEL VKNQKNSKKL LDELLNDLSK DATA SEQUENCE KTGGKFLDVE SPIASCISVN SDPVEIAAKL YNLRVTGPRG IKKTDHFGNC DATA SEQUENCE YLGTYTHDYI VXNAAIGVRT EDIVNSVSKL EKI 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 2 L HA 0.000 nan 4.340 nan 0.000 0.249 2 L C 0.000 176.770 176.870 -0.167 0.000 1.165 2 L CA 0.000 54.816 54.840 -0.040 0.000 0.813 2 L CB 0.000 42.103 42.059 0.074 0.000 0.961 3 D N 3.364 123.667 120.400 -0.161 0.000 2.763 3 D HA 0.642 5.282 4.640 -0.000 0.000 0.235 3 D C -1.437 174.785 176.300 -0.131 0.000 1.334 3 D CA -0.031 53.808 54.000 -0.268 0.000 0.950 3 D CB 1.294 42.007 40.800 -0.145 0.000 1.433 3 D HN 0.204 nan 8.370 nan 0.000 0.580 4 F N 0.888 120.829 119.950 -0.015 0.000 2.645 4 F HA 0.497 5.024 4.527 -0.000 0.000 0.310 4 F C -0.258 175.536 175.800 -0.010 0.000 1.102 4 F CA -1.412 56.580 58.000 -0.015 0.000 0.952 4 F CB 0.876 39.868 39.000 -0.013 0.000 1.326 4 F HN 0.196 nan 8.300 nan 0.000 0.456 5 N N 1.127 119.974 118.700 0.244 0.000 2.427 5 N HA 0.237 4.977 4.740 -0.000 0.000 0.269 5 N C -0.204 175.424 175.510 0.197 0.000 1.235 5 N CA 0.040 53.178 53.050 0.147 0.000 0.934 5 N CB 0.412 38.954 38.487 0.091 0.000 1.121 5 N HN 0.731 nan 8.380 nan 0.000 0.480 6 I N 2.455 123.110 120.570 0.142 0.000 4.338 6 I HA 0.118 4.288 4.170 -0.000 0.000 0.329 6 I C -0.005 176.155 176.117 0.071 0.000 1.378 6 I CA -0.050 61.336 61.300 0.143 0.000 1.170 6 I CB 0.250 38.357 38.000 0.178 0.000 1.206 6 I HN 0.552 nan 8.210 nan 0.000 0.432 7 E N 0.648 120.875 120.200 0.046 0.000 2.408 7 E HA 0.400 4.750 4.350 -0.000 0.000 0.259 7 E C 0.872 177.487 176.600 0.025 0.000 1.110 7 E CA 0.479 56.895 56.400 0.027 0.000 0.929 7 E CB 0.144 29.854 29.700 0.016 0.000 0.971 7 E HN 0.287 nan 8.360 nan 0.000 0.438 8 G N 1.390 110.201 108.800 0.018 0.000 2.298 8 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.287 8 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.287 8 G C 0.294 175.204 174.900 0.017 0.000 1.075 8 G CA 0.522 45.631 45.100 0.015 0.000 0.960 8 G HN 0.452 nan 8.290 nan 0.000 0.502 9 L N -2.148 119.087 121.223 0.019 0.000 3.174 9 L HA 0.400 4.740 4.340 -0.000 0.000 0.313 9 L C 0.295 177.176 176.870 0.018 0.000 1.021 9 L CA -0.133 54.719 54.840 0.019 0.000 1.269 9 L CB 0.267 42.343 42.059 0.028 0.000 2.173 9 L HN 0.199 nan 8.230 nan 0.000 0.591 10 I N 1.003 121.585 120.570 0.019 0.000 2.769 10 I HA 0.398 4.568 4.170 -0.000 0.000 0.298 10 I C -2.315 173.809 176.117 0.013 0.000 1.128 10 I CA -2.051 59.259 61.300 0.016 0.000 1.031 10 I CB 1.820 39.833 38.000 0.021 0.000 1.235 10 I HN -0.148 nan 8.210 nan 0.000 0.423 11 P HA 0.068 nan 4.420 nan 0.000 0.266 11 P C 0.620 177.925 177.300 0.007 0.000 1.195 11 P CA -0.203 62.902 63.100 0.007 0.000 0.768 11 P CB 1.221 32.925 31.700 0.006 0.000 0.838 12 K N 2.673 123.076 120.400 0.005 0.000 2.059 12 K HA -0.185 4.135 4.320 -0.000 0.000 0.212 12 K C 1.055 177.656 176.600 0.002 0.000 1.050 12 K CA 1.322 57.611 56.287 0.003 0.000 0.927 12 K CB -0.250 32.251 32.500 0.001 0.000 0.714 12 K HN 0.673 nan 8.250 nan 0.000 0.447 16 K N 1.276 121.674 120.400 -0.004 0.000 2.025 16 K HA 0.073 4.393 4.320 -0.000 0.000 0.207 16 K C 2.068 178.666 176.600 -0.003 0.000 1.049 16 K CA 1.196 57.478 56.287 -0.008 0.000 0.933 16 K CB -0.038 32.459 32.500 -0.005 0.000 0.714 16 K HN -0.102 nan 8.250 nan 0.000 0.438 17 R N 0.111 120.613 120.500 0.004 0.000 2.083 17 R HA -0.061 4.279 4.340 -0.000 0.000 0.237 17 R C 2.147 178.454 176.300 0.012 0.000 1.137 17 R CA 1.942 58.047 56.100 0.009 0.000 0.951 17 R CB -1.155 29.151 30.300 0.010 0.000 0.851 17 R HN 0.410 nan 8.270 nan 0.000 0.434 18 G N -0.337 108.470 108.800 0.012 0.000 2.443 18 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 18 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 18 G C 1.445 176.352 174.900 0.012 0.000 1.131 18 G CA 0.562 45.673 45.100 0.018 0.000 0.775 18 G HN 0.390 nan 8.290 nan 0.000 0.547 19 E N -0.523 119.673 120.200 -0.008 0.000 2.216 19 E HA 0.116 4.466 4.350 -0.000 0.000 0.192 19 E C 2.465 179.061 176.600 -0.006 0.000 0.988 19 E CA 0.134 56.516 56.400 -0.030 0.000 0.834 19 E CB -0.032 29.635 29.700 -0.055 0.000 0.772 19 E HN 0.416 nan 8.360 nan 0.000 0.479 20 L N -0.545 120.683 121.223 0.008 0.000 2.068 20 L HA -0.125 4.215 4.340 -0.000 0.000 0.204 20 L C 2.255 179.150 176.870 0.042 0.000 1.076 20 L CA 0.528 55.380 54.840 0.020 0.000 0.753 20 L CB -0.280 41.790 42.059 0.018 0.000 0.910 20 L HN 0.056 nan 8.230 nan 0.000 0.439 21 V N 0.113 120.054 119.914 0.044 0.000 2.287 21 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 21 V C 2.436 178.592 176.094 0.103 0.000 1.053 21 V CA 1.879 64.219 62.300 0.066 0.000 1.027 21 V CB -0.514 31.337 31.823 0.045 0.000 0.646 21 V HN 0.336 nan 8.190 nan 0.000 0.447 22 L N 0.982 122.254 121.223 0.082 0.000 1.990 22 L HA -0.236 4.104 4.340 -0.000 0.000 0.213 22 L C 2.048 179.013 176.870 0.157 0.000 1.072 22 L CA 2.441 57.351 54.840 0.117 0.000 0.755 22 L CB -1.132 40.972 42.059 0.075 0.000 0.889 22 L HN 0.412 nan 8.230 nan 0.000 0.432 23 N N -1.016 117.741 118.700 0.095 0.000 2.120 23 N HA -0.180 4.560 4.740 -0.000 0.000 0.188 23 N C 1.636 177.205 175.510 0.099 0.000 1.024 23 N CA 1.200 54.302 53.050 0.086 0.000 0.852 23 N CB -0.102 38.411 38.487 0.043 0.000 1.003 23 N HN 0.407 nan 8.380 nan 0.000 0.424 24 E N 0.306 120.566 120.200 0.100 0.000 2.150 24 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 24 E C 1.527 178.192 176.600 0.108 0.000 0.985 24 E CA 0.763 57.216 56.400 0.088 0.000 0.814 24 E CB -0.228 29.521 29.700 0.081 0.000 0.752 24 E HN 0.541 nan 8.360 nan 0.000 0.466 25 Y N 0.685 121.011 120.300 0.043 0.000 2.314 25 Y HA -0.057 4.493 4.550 0.000 0.000 0.293 25 Y C 1.886 177.822 175.900 0.060 0.000 1.129 25 Y CA 0.988 59.116 58.100 0.048 0.000 1.201 25 Y CB 0.042 38.534 38.460 0.055 0.000 0.999 25 Y HN -0.076 nan 8.280 nan 0.000 0.541 26 L N 0.037 121.344 121.223 0.140 0.000 2.611 26 L HA -0.002 4.338 4.340 -0.000 0.000 0.229 26 L C 2.125 179.027 176.870 0.053 0.000 1.137 26 L CA 0.053 54.960 54.840 0.112 0.000 0.901 26 L CB -0.243 41.956 42.059 0.235 0.000 1.098 26 L HN 0.014 nan 8.230 nan 0.000 0.456 27 K N 0.868 121.273 120.400 0.008 0.000 1.991 27 K HA -0.201 4.119 4.320 -0.000 0.000 0.212 27 K C 1.736 178.311 176.600 -0.041 0.000 1.049 27 K CA 1.616 57.900 56.287 -0.004 0.000 0.932 27 K CB -0.056 32.439 32.500 -0.007 0.000 0.717 27 K HN 0.402 nan 8.250 nan 0.000 0.441 28 E N 0.350 120.496 120.200 -0.089 0.000 2.171 28 E HA -0.181 4.169 4.350 -0.000 0.000 0.197 28 E C 2.082 178.597 176.600 -0.141 0.000 0.997 28 E CA 1.040 57.366 56.400 -0.123 0.000 0.810 28 E CB -0.115 29.489 29.700 -0.161 0.000 0.738 28 E HN 0.324 nan 8.360 nan 0.000 0.467 29 I N 0.582 121.102 120.570 -0.083 0.000 2.333 29 I HA -0.183 3.987 4.170 -0.000 0.000 0.246 29 I C 2.595 178.786 176.117 0.125 0.000 1.106 29 I CA 0.760 62.050 61.300 -0.017 0.000 1.411 29 I CB -0.191 37.898 38.000 0.148 0.000 1.082 29 I HN 0.104 nan 8.210 nan 0.000 0.420 30 E N 1.197 121.486 120.200 0.148 0.000 2.110 30 E HA -0.265 4.085 4.350 -0.000 0.000 0.193 30 E C 1.491 178.108 176.600 0.028 0.000 0.988 30 E CA 1.474 57.980 56.400 0.177 0.000 0.804 30 E CB 0.121 29.875 29.700 0.089 0.000 0.745 30 E HN 0.401 nan 8.360 nan 0.000 0.458 31 D N -0.107 120.215 120.400 -0.130 0.000 2.144 31 D HA -0.120 4.520 4.640 -0.000 0.000 0.200 31 D C 2.040 178.171 176.300 -0.282 0.000 0.978 31 D CA 0.738 54.515 54.000 -0.373 0.000 0.833 31 D CB -0.087 40.552 40.800 -0.268 0.000 0.961 31 D HN 0.105 nan 8.370 nan 0.000 0.470 32 V N 0.503 120.276 119.914 -0.234 0.000 2.392 32 V HA -0.234 3.886 4.120 -0.000 0.000 0.249 32 V C 2.125 178.099 176.094 -0.201 0.000 1.059 32 V CA 1.360 63.471 62.300 -0.316 0.000 1.051 32 V CB -0.632 30.783 31.823 -0.680 0.000 0.658 32 V HN 0.125 nan 8.190 nan 0.000 0.455 33 F N 0.295 120.246 119.950 0.001 0.000 2.234 33 F HA -0.047 4.480 4.527 -0.000 0.000 0.296 33 F C 2.416 178.227 175.800 0.019 0.000 1.089 33 F CA 1.190 59.231 58.000 0.069 0.000 1.343 33 F CB -0.254 38.813 39.000 0.113 0.000 1.040 33 F HN 0.192 nan 8.300 nan 0.000 0.498 34 N N -0.906 117.864 118.700 0.117 0.000 2.251 34 N HA -0.095 4.645 4.740 -0.000 0.000 0.181 34 N C 1.551 177.158 175.510 0.161 0.000 1.019 34 N CA 1.136 54.227 53.050 0.067 0.000 0.862 34 N CB -0.506 37.952 38.487 -0.048 0.000 0.992 34 N HN 0.279 nan 8.380 nan 0.000 0.429 35 H N 0.721 119.824 119.070 0.054 0.000 2.431 35 H HA 0.273 4.829 4.556 -0.000 0.000 0.295 35 H C 0.368 175.704 175.328 0.014 0.000 1.038 35 H CA 0.269 56.332 56.048 0.024 0.000 1.360 35 H CB 0.169 29.932 29.762 0.002 0.000 1.433 35 H HN 0.088 nan 8.280 nan 0.000 0.536 36 R N 0.438 121.001 120.500 0.105 0.000 3.525 36 R HA -0.159 4.181 4.340 -0.000 0.000 0.276 36 R C -0.533 175.786 176.300 0.030 0.000 1.116 36 R CA 0.607 56.734 56.100 0.046 0.000 0.745 36 R CB -1.607 28.737 30.300 0.073 0.000 1.185 36 R HN 0.349 nan 8.270 nan 0.000 0.454 37 K N 0.274 120.691 120.400 0.028 0.000 2.444 37 K HA 0.462 4.782 4.320 -0.000 0.000 0.252 37 K C -0.077 176.508 176.600 -0.026 0.000 0.993 37 K CA -1.088 55.205 56.287 0.011 0.000 0.847 37 K CB 2.068 34.585 32.500 0.028 0.000 1.340 37 K HN 0.055 nan 8.250 nan 0.000 0.446 38 I N 4.042 124.595 120.570 -0.027 0.000 2.598 38 I HA 0.086 4.256 4.170 -0.000 0.000 0.284 38 I C -2.009 174.090 176.117 -0.030 0.000 1.140 38 I CA -1.476 59.793 61.300 -0.052 0.000 1.420 38 I CB 0.791 38.774 38.000 -0.028 0.000 1.387 38 I HN 0.366 nan 8.210 nan 0.000 0.553 39 P HA 0.066 nan 4.420 nan 0.000 0.280 39 P C 0.131 177.423 177.300 -0.014 0.000 1.244 39 P CA -0.181 62.901 63.100 -0.031 0.000 0.784 39 P CB 1.214 32.876 31.700 -0.064 0.000 0.913 40 E N 2.632 122.832 120.200 0.000 0.000 2.114 40 E HA -0.212 4.138 4.350 -0.000 0.000 0.199 40 E C 0.036 176.640 176.600 0.006 0.000 1.008 40 E CA 1.232 57.637 56.400 0.009 0.000 0.810 40 E CB 0.091 29.795 29.700 0.008 0.000 0.739 40 E HN 0.431 nan 8.360 nan 0.000 0.456 41 N N -0.312 118.383 118.700 -0.008 0.000 2.405 41 N HA 0.269 5.009 4.740 -0.000 0.000 0.299 41 N C -0.570 174.920 175.510 -0.034 0.000 1.075 41 N CA 0.043 53.084 53.050 -0.015 0.000 0.884 41 N CB 1.717 40.194 38.487 -0.017 0.000 1.194 41 N HN 0.155 nan 8.380 nan 0.000 0.491 42 G N 0.703 109.485 108.800 -0.030 0.000 2.441 42 G HA2 0.387 4.347 3.960 -0.000 0.000 0.243 42 G HA3 0.387 4.347 3.960 -0.000 0.000 0.243 42 G C 0.067 174.929 174.900 -0.063 0.000 1.281 42 G CA -0.290 44.782 45.100 -0.046 0.000 0.854 42 G HN 0.514 nan 8.290 nan 0.000 0.560 43 I N 1.247 121.765 120.570 -0.088 0.000 2.385 43 I HA 0.170 4.340 4.170 -0.000 0.000 0.294 43 I C 0.102 176.172 176.117 -0.079 0.000 0.988 43 I CA -0.831 60.406 61.300 -0.105 0.000 1.265 43 I CB 1.718 39.626 38.000 -0.154 0.000 1.388 43 I HN 0.675 nan 8.210 nan 0.000 0.480 44 D N 3.711 124.070 120.400 -0.068 0.000 2.399 44 D HA -0.041 4.599 4.640 -0.000 0.000 0.241 44 D C 0.533 176.816 176.300 -0.029 0.000 1.133 44 D CA -0.246 53.733 54.000 -0.035 0.000 0.890 44 D CB 0.737 41.530 40.800 -0.011 0.000 1.201 44 D HN 0.414 nan 8.370 nan 0.000 0.432 45 D N 0.997 121.390 120.400 -0.013 0.000 2.158 45 D HA -0.203 4.437 4.640 -0.000 0.000 0.197 45 D C 1.482 177.786 176.300 0.006 0.000 0.995 45 D CA 1.212 55.208 54.000 -0.005 0.000 0.846 45 D CB -0.070 40.731 40.800 0.001 0.000 0.941 45 D HN 0.619 nan 8.370 nan 0.000 0.456 46 E N 1.161 121.375 120.200 0.023 0.000 2.051 46 E HA -0.131 4.218 4.350 -0.000 0.000 0.192 46 E C 1.818 178.444 176.600 0.044 0.000 0.991 46 E CA 1.187 57.615 56.400 0.046 0.000 0.799 46 E CB 0.019 29.771 29.700 0.087 0.000 0.748 46 E HN 0.196 nan 8.360 nan 0.000 0.449 47 K N -0.246 120.166 120.400 0.020 0.000 2.148 47 K HA -0.032 4.288 4.320 -0.000 0.000 0.204 47 K C 2.205 178.790 176.600 -0.025 0.000 1.050 47 K CA 1.073 57.345 56.287 -0.025 0.000 0.942 47 K CB -0.115 32.296 32.500 -0.149 0.000 0.724 47 K HN 0.216 nan 8.250 nan 0.000 0.446 48 I N 1.447 122.006 120.570 -0.018 0.000 2.252 48 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 48 I C 2.105 178.277 176.117 0.092 0.000 1.102 48 I CA 1.314 62.632 61.300 0.031 0.000 1.385 48 I CB -0.133 37.867 38.000 0.001 0.000 1.064 48 I HN 0.134 nan 8.210 nan 0.000 0.414 49 K N 0.262 120.679 120.400 0.029 0.000 2.057 49 K HA -0.199 4.121 4.320 -0.000 0.000 0.207 49 K C 2.105 178.672 176.600 -0.055 0.000 1.049 49 K CA 1.188 57.475 56.287 0.001 0.000 0.931 49 K CB -0.361 32.135 32.500 -0.007 0.000 0.714 49 K HN 0.132 nan 8.250 nan 0.000 0.440 50 L N 1.161 122.331 121.223 -0.090 0.000 1.989 50 L HA -0.188 4.152 4.340 -0.000 0.000 0.211 50 L C 2.189 178.747 176.870 -0.520 0.000 1.071 50 L CA 1.546 56.223 54.840 -0.272 0.000 0.749 50 L CB -0.734 41.184 42.059 -0.235 0.000 0.890 50 L HN 0.116 nan 8.230 nan 0.000 0.431 51 F N -0.312 119.369 119.950 -0.448 0.000 2.120 51 F HA -0.270 4.257 4.527 -0.000 0.000 0.300 51 F C 2.035 177.773 175.800 -0.103 0.000 1.095 51 F CA 1.959 59.767 58.000 -0.319 0.000 1.249 51 F CB -0.477 38.401 39.000 -0.203 0.000 0.995 51 F HN 0.083 nan 8.300 nan 0.000 0.480 52 L N -0.061 121.015 121.223 -0.245 0.000 2.141 52 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 52 L C 2.623 179.381 176.870 -0.187 0.000 1.094 52 L CA 1.004 55.714 54.840 -0.216 0.000 0.763 52 L CB -0.739 41.313 42.059 -0.012 0.000 0.908 52 L HN 0.058 nan 8.230 nan 0.000 0.437 53 K N 0.510 120.810 120.400 -0.166 0.000 2.057 53 K HA -0.113 4.207 4.320 -0.000 0.000 0.206 53 K C 2.079 178.744 176.600 0.107 0.000 1.050 53 K CA 1.568 57.811 56.287 -0.072 0.000 0.935 53 K CB -0.383 32.092 32.500 -0.042 0.000 0.715 53 K HN 0.271 nan 8.250 nan 0.000 0.439 54 F N 0.908 120.850 119.950 -0.014 0.000 2.202 54 F HA -0.221 4.306 4.527 -0.000 0.000 0.301 54 F C 2.189 177.993 175.800 0.007 0.000 1.082 54 F CA 0.309 58.321 58.000 0.020 0.000 1.313 54 F CB -0.073 38.986 39.000 0.098 0.000 1.024 54 F HN -0.028 nan 8.300 nan 0.000 0.495 55 L N -0.424 120.896 121.223 0.161 0.000 2.102 55 L HA -0.064 4.276 4.340 -0.000 0.000 0.202 55 L C 1.869 178.859 176.870 0.200 0.000 1.076 55 L CA 0.344 55.288 54.840 0.172 0.000 0.761 55 L CB -0.782 41.365 42.059 0.146 0.000 0.921 55 L HN 0.083 nan 8.230 nan 0.000 0.444 60 T N -0.043 114.549 114.554 0.063 0.000 2.977 60 T HA -0.114 4.236 4.350 -0.000 0.000 0.271 60 T C 1.220 175.979 174.700 0.099 0.000 1.105 60 T CA 1.641 63.771 62.100 0.050 0.000 1.116 60 T CB 0.006 68.865 68.868 -0.015 0.000 0.878 60 T HN 0.463 nan 8.240 nan 0.000 0.509 61 D N -0.223 120.278 120.400 0.169 0.000 2.323 61 D HA -0.015 4.625 4.640 -0.000 0.000 0.209 61 D C 1.504 177.842 176.300 0.064 0.000 0.973 61 D CA 0.487 54.566 54.000 0.132 0.000 0.874 61 D CB -0.120 40.754 40.800 0.124 0.000 0.930 61 D HN 0.170 nan 8.370 nan 0.000 0.521 62 K N 0.648 121.082 120.400 0.056 0.000 2.487 62 K HA 0.058 4.378 4.320 -0.000 0.000 0.192 62 K C -0.128 176.484 176.600 0.021 0.000 1.027 62 K CA -0.054 56.249 56.287 0.027 0.000 1.054 62 K CB -0.162 32.350 32.500 0.020 0.000 0.824 62 K HN 0.086 nan 8.250 nan 0.000 0.510 63 D N 1.046 121.462 120.400 0.027 0.000 2.352 63 D HA 0.029 4.669 4.640 -0.000 0.000 0.245 63 D C -1.330 174.978 176.300 0.013 0.000 1.224 63 D CA -2.061 51.950 54.000 0.018 0.000 0.879 63 D CB 1.098 41.911 40.800 0.021 0.000 1.057 63 D HN -0.020 nan 8.370 nan 0.000 0.491 64 P HA -0.150 nan 4.420 nan 0.000 0.216 64 P C 0.947 178.249 177.300 0.003 0.000 1.153 64 P CA 0.864 63.966 63.100 0.002 0.000 0.848 64 P CB 0.345 32.044 31.700 -0.002 0.000 0.787 65 K N 0.110 120.512 120.400 0.003 0.000 2.555 65 K HA 0.062 4.381 4.320 -0.000 0.000 0.193 65 K C 1.013 177.616 176.600 0.006 0.000 1.032 65 K CA -0.078 56.211 56.287 0.003 0.000 1.004 65 K CB -0.086 32.415 32.500 0.001 0.000 0.804 65 K HN 0.062 nan 8.250 nan 0.000 0.496 66 S N 0.378 116.084 115.700 0.009 0.000 2.580 66 S HA 0.144 4.614 4.470 -0.000 0.000 0.274 66 S C -0.186 174.422 174.600 0.013 0.000 1.329 66 S CA -0.724 57.484 58.200 0.013 0.000 1.036 66 S CB 0.980 64.192 63.200 0.020 0.000 0.919 66 S HN -0.060 nan 8.310 nan 0.000 0.515 67 V N 6.420 126.342 119.914 0.014 0.000 2.294 67 V HA 0.362 4.482 4.120 -0.000 0.000 0.272 67 V C -0.035 176.070 176.094 0.018 0.000 1.027 67 V CA -0.621 61.687 62.300 0.014 0.000 0.823 67 V CB 0.505 32.335 31.823 0.011 0.000 1.030 67 V HN 0.795 nan 8.190 nan 0.000 0.457 68 R N 5.223 125.736 120.500 0.021 0.000 2.308 68 R HA 0.410 4.750 4.340 -0.000 0.000 0.325 68 R C 0.159 176.474 176.300 0.025 0.000 1.161 68 R CA -0.196 55.921 56.100 0.027 0.000 1.022 68 R CB 0.135 30.453 30.300 0.031 0.000 1.091 68 R HN 0.818 nan 8.270 nan 0.000 0.497 69 I N -1.754 118.831 120.570 0.025 0.000 3.426 69 I HA 0.407 4.577 4.170 -0.000 0.000 0.329 69 I C 0.413 176.545 176.117 0.024 0.000 1.553 69 I CA -0.630 60.684 61.300 0.022 0.000 1.019 69 I CB 1.217 39.227 38.000 0.017 0.000 1.376 69 I HN 0.351 nan 8.210 nan 0.000 0.525 70 G N 1.120 109.940 108.800 0.032 0.000 2.522 70 G HA2 0.463 4.423 3.960 -0.000 0.000 0.304 70 G HA3 0.463 4.423 3.960 -0.000 0.000 0.304 70 G C 0.490 175.411 174.900 0.035 0.000 1.210 70 G CA -0.003 45.118 45.100 0.035 0.000 0.960 70 G HN 0.501 nan 8.290 nan 0.000 0.497 71 E N -0.911 119.310 120.200 0.035 0.000 2.208 71 E HA -0.054 4.296 4.350 -0.000 0.000 0.193 71 E C 1.414 178.036 176.600 0.037 0.000 0.988 71 E CA 0.708 57.127 56.400 0.032 0.000 0.828 71 E CB 0.256 29.974 29.700 0.030 0.000 0.763 71 E HN 0.350 nan 8.360 nan 0.000 0.478 72 R N 0.418 120.951 120.500 0.055 0.000 2.687 72 R HA 0.115 4.455 4.340 -0.000 0.000 0.264 72 R C -0.203 176.158 176.300 0.103 0.000 1.715 72 R CA -0.137 56.001 56.100 0.064 0.000 1.633 72 R CB 0.452 30.800 30.300 0.081 0.000 1.353 72 R HN -0.044 nan 8.270 nan 0.000 0.653 73 E N 1.186 121.420 120.200 0.056 0.000 2.482 73 E HA -0.001 4.349 4.350 -0.000 0.000 0.196 73 E C 0.638 177.191 176.600 -0.079 0.000 1.047 73 E CA 0.751 57.188 56.400 0.062 0.000 0.869 73 E CB 0.509 30.233 29.700 0.040 0.000 0.836 73 E HN 0.662 nan 8.360 nan 0.000 0.520 74 A N 1.630 124.326 122.820 -0.206 0.000 2.869 74 A HA -0.274 4.046 4.320 -0.000 0.000 0.280 74 A C 0.207 177.665 177.584 -0.210 0.000 1.458 74 A CA 0.929 52.732 52.037 -0.391 0.000 0.776 74 A CB -2.071 16.251 19.000 -1.129 0.000 1.028 74 A HN 0.250 nan 8.150 nan 0.000 0.547 75 R N -0.313 120.125 120.500 -0.103 0.000 2.594 75 R HA 0.480 4.820 4.340 -0.000 0.000 0.272 75 R C 0.178 176.453 176.300 -0.043 0.000 1.074 75 R CA 0.684 56.756 56.100 -0.047 0.000 1.105 75 R CB 0.524 30.822 30.300 -0.003 0.000 1.008 75 R HN 0.386 nan 8.270 nan 0.000 0.472 76 T N 1.300 115.852 114.554 -0.004 0.000 2.876 76 T HA 0.164 4.514 4.350 -0.000 0.000 0.289 76 T C -0.282 174.519 174.700 0.169 0.000 1.014 76 T CA -0.477 61.652 62.100 0.048 0.000 0.986 76 T CB 1.159 70.053 68.868 0.044 0.000 1.021 76 T HN 0.552 nan 8.240 nan 0.000 0.458 77 Y N 2.331 122.766 120.300 0.225 0.000 2.389 77 Y HA 0.359 4.909 4.550 0.000 0.000 0.292 77 Y C 1.349 177.316 175.900 0.112 0.000 1.117 77 Y CA 0.573 58.771 58.100 0.162 0.000 1.195 77 Y CB 0.567 39.118 38.460 0.151 0.000 1.076 77 Y HN 0.543 nan 8.280 nan 0.000 0.548 78 S N -0.323 115.521 115.700 0.240 0.000 2.532 78 S HA 0.278 4.748 4.470 -0.000 0.000 0.301 78 S C 0.623 175.196 174.600 -0.046 0.000 1.083 78 S CA -0.833 57.337 58.200 -0.049 0.000 1.025 78 S CB 1.256 64.309 63.200 -0.244 0.000 1.056 78 S HN 0.136 nan 8.310 nan 0.000 0.494 79 K N 2.958 123.322 120.400 -0.060 0.000 2.280 79 K HA 0.047 4.367 4.320 -0.000 0.000 0.202 79 K C 1.644 178.223 176.600 -0.036 0.000 1.047 79 K CA 1.011 57.276 56.287 -0.037 0.000 0.942 79 K CB -0.435 32.038 32.500 -0.044 0.000 0.739 79 K HN 0.687 nan 8.250 nan 0.000 0.457 80 I N 0.563 121.082 120.570 -0.085 0.000 2.361 80 I HA -0.267 3.903 4.170 -0.000 0.000 0.251 80 I C 2.232 178.336 176.117 -0.022 0.000 1.133 80 I CA 0.990 62.242 61.300 -0.079 0.000 1.413 80 I CB -0.339 37.583 38.000 -0.130 0.000 1.073 80 I HN 0.198 nan 8.210 nan 0.000 0.424 81 H N 1.065 120.139 119.070 0.006 0.000 2.290 81 H HA -0.158 4.398 4.556 -0.000 0.000 0.298 81 H C 2.001 177.321 175.328 -0.015 0.000 1.087 81 H CA 1.403 57.454 56.048 0.005 0.000 1.291 81 H CB -0.360 29.411 29.762 0.014 0.000 1.369 81 H HN 0.417 nan 8.280 nan 0.000 0.492 82 E N 0.233 120.498 120.200 0.107 0.000 2.333 82 E HA -0.146 4.204 4.350 -0.000 0.000 0.198 82 E C 1.968 178.556 176.600 -0.019 0.000 1.007 82 E CA 0.409 56.818 56.400 0.014 0.000 0.845 82 E CB 0.175 29.866 29.700 -0.014 0.000 0.766 82 E HN 0.571 nan 8.360 nan 0.000 0.507 83 E N 0.434 120.634 120.200 0.001 0.000 2.102 83 E HA -0.050 4.300 4.350 -0.000 0.000 0.190 83 E C 1.963 178.565 176.600 0.004 0.000 0.971 83 E CA 0.137 56.530 56.400 -0.012 0.000 0.821 83 E CB 0.231 29.924 29.700 -0.013 0.000 0.777 83 E HN 0.177 nan 8.360 nan 0.000 0.460 84 L N 0.837 122.078 121.223 0.030 0.000 2.291 84 L HA -0.041 4.299 4.340 -0.000 0.000 0.214 84 L C 2.215 179.114 176.870 0.048 0.000 1.120 84 L CA 1.067 55.932 54.840 0.042 0.000 0.799 84 L CB -0.081 42.017 42.059 0.064 0.000 0.925 84 L HN 0.167 nan 8.230 nan 0.000 0.446 85 S N -2.590 113.137 115.700 0.044 0.000 2.540 85 S HA 0.035 4.505 4.470 -0.000 0.000 0.218 85 S C 1.157 175.780 174.600 0.039 0.000 0.977 85 S CA 0.286 58.523 58.200 0.062 0.000 0.918 85 S CB 0.518 63.752 63.200 0.056 0.000 0.806 85 S HN 0.279 nan 8.310 nan 0.000 0.496 86 S N 0.125 115.804 115.700 -0.035 0.000 3.445 86 S HA -0.182 4.288 4.470 -0.000 0.000 0.319 86 S C 1.322 175.643 174.600 -0.466 0.000 1.209 86 S CA 1.350 59.464 58.200 -0.144 0.000 0.934 86 S CB -1.696 61.499 63.200 -0.009 0.000 0.999 86 S HN 2.283 nan 8.310 nan 0.000 0.582 87 G N -0.801 107.782 108.800 -0.362 0.000 2.232 87 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.226 87 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.226 87 G C 0.056 174.696 174.900 -0.433 0.000 0.996 87 G CA 0.044 44.878 45.100 -0.444 0.000 0.626 87 G HN 0.910 nan 8.290 nan 0.000 0.509 88 F N 2.077 122.029 119.950 0.003 0.000 2.626 88 F HA 0.387 4.914 4.527 -0.000 0.000 0.353 88 F C 1.863 177.668 175.800 0.008 0.000 1.230 88 F CA -0.473 57.535 58.000 0.014 0.000 1.298 88 F CB -0.079 38.919 39.000 -0.003 0.000 1.670 88 F HN 0.103 nan 8.300 nan 0.000 0.633 89 C N -0.331 119.022 119.300 0.089 0.000 2.456 89 C HA -0.121 4.339 4.460 -0.000 0.000 0.279 89 C C 2.399 177.367 174.990 -0.037 0.000 1.427 89 C CA 0.496 59.512 59.018 -0.004 0.000 1.778 89 C CB -1.119 26.575 27.740 -0.077 0.000 1.842 89 C HN 0.679 nan 8.230 nan 0.000 0.531 90 H N 0.386 119.501 119.070 0.075 0.000 2.539 90 H HA 0.235 4.790 4.556 -0.000 0.000 0.267 90 H C 1.627 176.982 175.328 0.046 0.000 0.982 90 H CA 1.107 57.188 56.048 0.054 0.000 1.146 90 H CB -0.134 29.663 29.762 0.059 0.000 1.382 90 H HN 0.589 nan 8.280 nan 0.000 0.577 91 G N 1.306 110.196 108.800 0.150 0.000 2.598 91 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.244 91 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.244 91 G C 0.020 174.937 174.900 0.029 0.000 1.302 91 G CA 0.036 45.178 45.100 0.070 0.000 0.903 91 G HN 0.404 nan 8.290 nan 0.000 0.575 92 I N -2.358 118.188 120.570 -0.041 0.000 2.892 92 I HA 0.809 4.979 4.170 -0.000 0.000 0.306 92 I C 0.754 176.873 176.117 0.003 0.000 1.078 92 I CA -0.564 60.703 61.300 -0.054 0.000 1.032 92 I CB 1.688 39.556 38.000 -0.221 0.000 1.229 92 I HN 2.697 nan 8.210 nan 0.000 0.435 93 G N 2.397 111.241 108.800 0.073 0.000 2.825 93 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.684 93 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.684 93 G C -0.648 174.267 174.900 0.025 0.000 1.528 93 G CA -0.297 44.835 45.100 0.053 0.000 0.963 93 G HN 1.091 nan 8.290 nan 0.000 0.577 94 R N -0.017 120.493 120.500 0.017 0.000 2.546 94 R HA 0.586 4.926 4.340 -0.000 0.000 0.266 94 R C 1.093 177.414 176.300 0.035 0.000 1.086 94 R CA 0.147 56.258 56.100 0.018 0.000 1.160 94 R CB 0.734 31.038 30.300 0.006 0.000 1.138 94 R HN 0.928 nan 8.270 nan 0.000 0.567 95 S N 0.383 116.108 115.700 0.042 0.000 2.546 95 S HA 0.143 4.613 4.470 -0.000 0.000 0.290 95 S C 0.614 175.252 174.600 0.063 0.000 1.262 95 S CA 1.085 59.321 58.200 0.061 0.000 1.083 95 S CB -0.283 62.948 63.200 0.051 0.000 0.859 95 S HN 0.872 nan 8.310 nan 0.000 0.495 96 G N 3.787 112.648 108.800 0.101 0.000 2.246 96 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.273 96 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.273 96 G C -0.099 174.841 174.900 0.068 0.000 1.055 96 G CA 0.247 45.407 45.100 0.100 0.000 0.851 96 G HN 0.976 nan 8.290 nan 0.000 0.500 97 N N -0.903 117.831 118.700 0.057 0.000 3.570 97 N HA 0.105 4.845 4.740 -0.000 0.000 0.193 97 N C 1.214 176.721 175.510 -0.005 0.000 1.465 97 N CA -0.267 52.792 53.050 0.015 0.000 0.791 97 N CB 0.026 38.511 38.487 -0.004 0.000 1.677 97 N HN 0.037 nan 8.380 nan 0.000 0.678 98 L N 0.505 121.718 121.223 -0.016 0.000 1.956 98 L HA -0.103 4.237 4.340 -0.000 0.000 0.216 98 L C 1.974 178.818 176.870 -0.044 0.000 1.073 98 L CA 1.345 56.184 54.840 -0.001 0.000 0.762 98 L CB -0.334 41.730 42.059 0.008 0.000 0.889 98 L HN 0.347 nan 8.230 nan 0.000 0.433 99 V N -0.391 119.406 119.914 -0.195 0.000 3.330 99 V HA -0.163 3.957 4.120 -0.000 0.000 0.273 99 V C 0.302 176.260 176.094 -0.228 0.000 1.179 99 V CA 0.743 62.815 62.300 -0.380 0.000 1.174 99 V CB -0.724 30.918 31.823 -0.302 0.000 0.794 99 V HN 0.329 nan 8.190 nan 0.000 0.527 100 D N 1.312 121.640 120.400 -0.121 0.000 2.280 100 D HA 0.268 4.908 4.640 -0.000 0.000 0.243 100 D C -2.391 173.882 176.300 -0.046 0.000 1.129 100 D CA -2.259 51.696 54.000 -0.075 0.000 0.848 100 D CB 1.394 42.166 40.800 -0.048 0.000 1.107 100 D HN 0.204 nan 8.370 nan 0.000 0.471 101 P HA -0.046 nan 4.420 nan 0.000 0.262 101 P C -0.477 176.815 177.300 -0.013 0.000 1.182 101 P CA -0.171 62.919 63.100 -0.018 0.000 0.761 101 P CB 0.583 32.272 31.700 -0.018 0.000 0.795 102 Q N 5.066 124.862 119.800 -0.007 0.000 2.337 102 Q HA 0.129 4.469 4.340 -0.000 0.000 0.255 102 Q C -1.239 174.735 176.000 -0.042 0.000 0.997 102 Q CA -2.104 53.686 55.803 -0.021 0.000 0.925 102 Q CB 1.016 29.743 28.738 -0.018 0.000 1.212 102 Q HN 0.378 nan 8.270 nan 0.000 0.436 103 P HA -0.169 nan 4.420 nan 0.000 0.220 103 P C 0.343 177.593 177.300 -0.084 0.000 1.144 103 P CA 1.050 64.120 63.100 -0.049 0.000 0.800 103 P CB 0.613 32.290 31.700 -0.038 0.000 0.772 104 K N -0.507 119.804 120.400 -0.149 0.000 2.400 104 K HA 0.239 4.559 4.320 -0.000 0.000 0.194 104 K C 0.849 177.272 176.600 -0.296 0.000 1.033 104 K CA 0.414 56.526 56.287 -0.292 0.000 1.021 104 K CB 0.140 32.317 32.500 -0.539 0.000 0.808 104 K HN 0.045 nan 8.250 nan 0.000 0.505 105 A N -0.179 122.555 122.820 -0.144 0.000 2.855 105 A HA 0.328 4.648 4.320 -0.000 0.000 0.313 105 A C 0.251 177.847 177.584 0.021 0.000 1.173 105 A CA -0.536 51.487 52.037 -0.024 0.000 0.753 105 A CB 0.671 19.698 19.000 0.045 0.000 1.200 105 A HN 0.027 nan 8.150 nan 0.000 0.442 106 S N 0.878 116.594 115.700 0.027 0.000 2.402 106 S HA -0.084 4.386 4.470 -0.000 0.000 0.229 106 S C 2.104 176.745 174.600 0.068 0.000 1.021 106 S CA 1.842 60.064 58.200 0.036 0.000 0.974 106 S CB 0.044 63.261 63.200 0.029 0.000 0.800 106 S HN 0.971 nan 8.310 nan 0.000 0.484 107 G N 1.606 110.477 108.800 0.118 0.000 2.414 107 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.215 107 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.215 107 G C 1.607 176.571 174.900 0.107 0.000 1.188 107 G CA 0.817 46.033 45.100 0.193 0.000 0.783 107 G HN 0.559 nan 8.290 nan 0.000 0.537 108 A N 0.751 123.601 122.820 0.051 0.000 1.908 108 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 108 A C 2.706 180.181 177.584 -0.182 0.000 1.181 108 A CA 2.436 54.264 52.037 -0.348 0.000 0.627 108 A CB -0.671 18.246 19.000 -0.138 0.000 0.818 108 A HN 0.329 nan 8.150 nan 0.000 0.445 109 S N -0.436 115.249 115.700 -0.026 0.000 2.368 109 S HA 0.004 4.474 4.470 -0.000 0.000 0.224 109 S C 1.107 175.729 174.600 0.036 0.000 1.029 109 S CA 0.531 58.747 58.200 0.028 0.000 0.988 109 S CB -0.352 62.860 63.200 0.020 0.000 0.838 109 S HN 0.435 nan 8.310 nan 0.000 0.462 113 A N 1.607 124.488 122.820 0.103 0.000 1.902 113 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 113 A C 2.069 179.689 177.584 0.061 0.000 1.181 113 A CA 2.035 54.081 52.037 0.015 0.000 0.623 113 A CB -0.945 18.062 19.000 0.013 0.000 0.818 113 A HN 0.435 nan 8.150 nan 0.000 0.443 114 L N -0.807 120.475 121.223 0.097 0.000 2.046 114 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 114 L C 2.812 179.724 176.870 0.070 0.000 1.077 114 L CA 1.829 56.725 54.840 0.094 0.000 0.747 114 L CB -1.122 41.020 42.059 0.138 0.000 0.896 114 L HN 0.356 nan 8.230 nan 0.000 0.432 115 T N -0.361 114.250 114.554 0.094 0.000 2.720 115 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 115 T C 1.716 176.459 174.700 0.072 0.000 1.037 115 T CA 1.510 63.654 62.100 0.074 0.000 1.144 115 T CB -0.274 68.655 68.868 0.101 0.000 0.864 115 T HN 0.302 nan 8.240 nan 0.000 0.444 116 N N 0.923 119.682 118.700 0.098 0.000 2.188 116 N HA -0.012 4.728 4.740 -0.000 0.000 0.184 116 N C 1.847 177.397 175.510 0.065 0.000 1.018 116 N CA 0.928 54.024 53.050 0.077 0.000 0.858 116 N CB -0.119 38.378 38.487 0.016 0.000 0.989 116 N HN 0.450 nan 8.380 nan 0.000 0.426 117 K N 0.540 120.970 120.400 0.051 0.000 2.103 117 K HA 0.100 4.420 4.320 -0.000 0.000 0.204 117 K C 2.023 178.644 176.600 0.035 0.000 1.052 117 K CA 0.608 56.924 56.287 0.048 0.000 0.945 117 K CB 0.033 32.561 32.500 0.048 0.000 0.722 117 K HN 0.153 nan 8.250 nan 0.000 0.443 118 I N 0.940 121.517 120.570 0.013 0.000 2.315 118 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 118 I C 2.275 178.374 176.117 -0.030 0.000 1.117 118 I CA 0.548 61.835 61.300 -0.022 0.000 1.404 118 I CB -0.156 37.805 38.000 -0.065 0.000 1.071 118 I HN 0.102 nan 8.210 nan 0.000 0.419 119 L N 1.130 122.338 121.223 -0.026 0.000 2.046 119 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 119 L C 2.316 179.203 176.870 0.028 0.000 1.077 119 L CA 1.892 56.695 54.840 -0.061 0.000 0.747 119 L CB -0.541 41.515 42.059 -0.005 0.000 0.896 119 L HN 0.172 nan 8.230 nan 0.000 0.432 120 E N -0.870 119.397 120.200 0.112 0.000 2.204 120 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 120 E C 2.083 178.744 176.600 0.101 0.000 0.989 120 E CA 1.187 57.686 56.400 0.166 0.000 0.824 120 E CB -0.166 29.597 29.700 0.104 0.000 0.756 120 E HN 0.703 nan 8.360 nan 0.000 0.477 121 S N -0.039 115.694 115.700 0.055 0.000 2.527 121 S HA -0.053 4.417 4.470 -0.000 0.000 0.222 121 S C 1.655 176.271 174.600 0.027 0.000 0.985 121 S CA -0.117 58.101 58.200 0.030 0.000 0.921 121 S CB -0.158 63.054 63.200 0.020 0.000 0.772 121 S HN 0.307 nan 8.310 nan 0.000 0.529 122 F N 1.489 121.333 119.950 -0.177 0.000 2.219 122 F HA 0.295 4.822 4.527 -0.000 0.000 0.294 122 F C 1.513 177.154 175.800 -0.264 0.000 1.086 122 F CA 0.360 58.185 58.000 -0.292 0.000 1.330 122 F CB -0.404 38.315 39.000 -0.470 0.000 1.047 122 F HN 0.206 nan 8.300 nan 0.000 0.495 123 F N 0.947 120.754 119.950 -0.238 0.000 2.113 123 F HA -0.123 4.404 4.527 -0.000 0.000 0.297 123 F C 2.617 178.269 175.800 -0.247 0.000 1.103 123 F CA 1.499 59.297 58.000 -0.337 0.000 1.248 123 F CB -0.543 38.317 39.000 -0.233 0.000 0.999 123 F HN -0.152 nan 8.300 nan 0.000 0.475 124 K N 0.481 120.905 120.400 0.040 0.000 2.113 124 K HA -0.274 4.046 4.320 -0.000 0.000 0.208 124 K C 1.909 178.478 176.600 -0.051 0.000 1.047 124 K CA 1.741 58.022 56.287 -0.011 0.000 0.928 124 K CB -0.211 32.281 32.500 -0.013 0.000 0.716 124 K HN 0.338 nan 8.250 nan 0.000 0.446 125 Q N -0.202 119.538 119.800 -0.100 0.000 2.369 125 Q HA -0.005 4.335 4.340 -0.000 0.000 0.206 125 Q C 1.461 177.377 176.000 -0.140 0.000 0.963 125 Q CA 0.560 56.297 55.803 -0.109 0.000 0.894 125 Q CB 0.247 28.921 28.738 -0.106 0.000 0.965 125 Q HN 0.365 nan 8.270 nan 0.000 0.475 126 L N -1.466 119.637 121.223 -0.199 0.000 2.607 126 L HA 0.207 4.547 4.340 -0.000 0.000 0.228 126 L C 0.993 177.832 176.870 -0.052 0.000 1.123 126 L CA 0.388 55.131 54.840 -0.160 0.000 0.890 126 L CB 0.483 42.379 42.059 -0.272 0.000 1.103 126 L HN 0.351 nan 8.230 nan 0.000 0.468 127 G N 0.336 109.116 108.800 -0.033 0.000 2.179 127 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.220 127 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.220 127 G C 0.022 174.942 174.900 0.033 0.000 0.990 127 G CA -0.475 44.625 45.100 0.000 0.000 0.646 127 G HN 0.164 nan 8.290 nan 0.000 0.517 128 L N 1.063 122.313 121.223 0.045 0.000 2.298 128 L HA 0.414 4.754 4.340 -0.000 0.000 0.284 128 L C -0.152 176.714 176.870 -0.007 0.000 1.013 128 L CA -0.659 54.224 54.840 0.072 0.000 0.824 128 L CB 1.424 43.542 42.059 0.098 0.000 1.221 128 L HN 0.149 nan 8.230 nan 0.000 0.418 129 N N 3.527 122.201 118.700 -0.044 0.000 2.719 129 N HA 0.306 5.046 4.740 -0.000 0.000 0.243 129 N C -0.521 174.852 175.510 -0.228 0.000 1.104 129 N CA -0.367 52.617 53.050 -0.110 0.000 0.981 129 N CB 1.035 39.468 38.487 -0.089 0.000 1.290 129 N HN 0.356 nan 8.380 nan 0.000 0.513 130 V N -1.545 118.215 119.914 -0.257 0.000 3.046 130 V HA 0.471 4.591 4.120 -0.000 0.000 0.316 130 V C -0.425 175.473 176.094 -0.328 0.000 1.104 130 V CA -0.983 61.108 62.300 -0.349 0.000 1.006 130 V CB 2.007 33.599 31.823 -0.385 0.000 1.058 130 V HN 0.445 nan 8.190 nan 0.000 0.440 131 H N 1.597 120.626 119.070 -0.069 0.000 2.552 131 H HA 0.813 5.369 4.556 -0.000 0.000 0.311 131 H C 0.112 175.467 175.328 0.046 0.000 1.071 131 H CA 0.474 56.520 56.048 -0.002 0.000 1.307 131 H CB 1.610 31.366 29.762 -0.010 0.000 1.416 131 H HN 1.128 nan 8.280 nan 0.000 0.464 132 A N 4.077 127.013 122.820 0.194 0.000 2.423 132 A HA 0.707 5.027 4.320 -0.000 0.000 0.304 132 A C -0.798 176.905 177.584 0.198 0.000 1.104 132 A CA -0.750 51.437 52.037 0.250 0.000 0.757 132 A CB 1.854 21.102 19.000 0.413 0.000 1.313 132 A HN 0.687 nan 8.150 nan 0.000 0.423 133 I N 0.381 121.077 120.570 0.211 0.000 2.656 133 I HA 0.611 4.781 4.170 -0.000 0.000 0.292 133 I C -0.172 176.070 176.117 0.208 0.000 1.144 133 I CA -0.727 60.664 61.300 0.151 0.000 1.038 133 I CB 1.892 39.937 38.000 0.074 0.000 1.244 133 I HN 0.857 nan 8.210 nan 0.000 0.420 134 A N 4.568 127.534 122.820 0.244 0.000 2.331 134 A HA 0.702 5.022 4.320 -0.000 0.000 0.283 134 A C -0.068 177.641 177.584 0.208 0.000 1.142 134 A CA -0.222 51.938 52.037 0.206 0.000 0.812 134 A CB 0.598 19.693 19.000 0.158 0.000 1.074 134 A HN 0.691 nan 8.150 nan 0.000 0.497 135 T N 0.028 114.656 114.554 0.123 0.000 2.918 135 T HA 0.679 5.029 4.350 -0.000 0.000 0.286 135 T C -2.352 172.352 174.700 0.007 0.000 1.026 135 T CA -1.787 60.363 62.100 0.082 0.000 1.031 135 T CB 1.941 70.870 68.868 0.102 0.000 1.046 135 T HN 0.388 nan 8.240 nan 0.000 0.479 136 P HA 0.248 nan 4.420 nan 0.000 0.257 136 P C -0.406 176.914 177.300 0.034 0.000 1.325 136 P CA -0.139 62.924 63.100 -0.061 0.000 0.850 136 P CB -0.462 31.141 31.700 -0.161 0.000 1.324 137 I N -3.641 116.975 120.570 0.076 0.000 3.174 137 I HA 0.466 4.636 4.170 -0.000 0.000 0.313 137 I C 0.238 176.391 176.117 0.060 0.000 1.155 137 I CA -1.949 59.403 61.300 0.088 0.000 0.977 137 I CB 0.657 38.741 38.000 0.140 0.000 1.248 137 I HN -0.252 nan 8.210 nan 0.000 0.453 138 S N -0.256 115.468 115.700 0.039 0.000 2.560 138 S HA 0.010 4.480 4.470 -0.000 0.000 0.276 138 S C 1.315 175.937 174.600 0.037 0.000 1.350 138 S CA 0.473 58.695 58.200 0.036 0.000 1.024 138 S CB 0.360 63.575 63.200 0.025 0.000 0.864 138 S HN 1.107 nan 8.310 nan 0.000 0.536 139 T N 2.338 116.918 114.554 0.043 0.000 2.759 139 T HA 0.055 4.405 4.350 -0.000 0.000 0.269 139 T C 1.126 175.840 174.700 0.022 0.000 1.042 139 T CA 1.479 63.603 62.100 0.040 0.000 1.140 139 T CB -1.392 67.497 68.868 0.036 0.000 0.864 139 T HN 0.993 nan 8.240 nan 0.000 0.455 143 I N 2.157 122.744 120.570 0.029 0.000 2.315 143 I HA -0.099 4.071 4.170 -0.000 0.000 0.248 143 I C 2.054 178.204 176.117 0.055 0.000 1.117 143 I CA 1.158 62.482 61.300 0.041 0.000 1.404 143 I CB -0.167 37.852 38.000 0.032 0.000 1.071 143 I HN 0.218 nan 8.210 nan 0.000 0.419 144 S N 0.790 116.512 115.700 0.037 0.000 2.382 144 S HA -0.150 4.320 4.470 -0.000 0.000 0.228 144 S C 1.911 176.566 174.600 0.092 0.000 1.027 144 S CA 1.063 59.311 58.200 0.080 0.000 0.991 144 S CB -0.269 62.962 63.200 0.051 0.000 0.823 144 S HN 0.229 nan 8.310 nan 0.000 0.469 145 L N 1.196 122.456 121.223 0.062 0.000 2.046 145 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 145 L C 2.402 179.299 176.870 0.046 0.000 1.077 145 L CA 1.499 56.375 54.840 0.060 0.000 0.747 145 L CB -0.890 41.209 42.059 0.067 0.000 0.896 145 L HN 0.378 nan 8.230 nan 0.000 0.432 146 C N -1.350 117.995 119.300 0.074 0.000 2.453 146 C HA -0.112 4.348 4.460 -0.000 0.000 0.277 146 C C 2.697 177.818 174.990 0.218 0.000 1.262 146 C CA 0.254 59.359 59.018 0.145 0.000 1.718 146 C CB -0.980 26.884 27.740 0.206 0.000 2.031 146 C HN 0.470 nan 8.230 nan 0.000 0.480 147 L N 0.812 122.133 121.223 0.164 0.000 2.013 147 L HA -0.217 4.123 4.340 -0.000 0.000 0.212 147 L C 2.806 179.766 176.870 0.151 0.000 1.073 147 L CA 1.922 56.857 54.840 0.158 0.000 0.753 147 L CB -0.839 41.289 42.059 0.114 0.000 0.890 147 L HN 0.380 nan 8.230 nan 0.000 0.432 148 S N -0.649 115.122 115.700 0.118 0.000 2.368 148 S HA -0.193 4.277 4.470 -0.000 0.000 0.225 148 S C 2.105 176.751 174.600 0.077 0.000 1.030 148 S CA 1.267 59.520 58.200 0.088 0.000 0.999 148 S CB -0.121 63.124 63.200 0.074 0.000 0.844 148 S HN 0.462 nan 8.310 nan 0.000 0.459 149 A N 1.192 124.047 122.820 0.059 0.000 1.902 149 A HA 0.172 4.492 4.320 -0.000 0.000 0.217 149 A C 2.425 180.141 177.584 0.221 0.000 1.181 149 A CA 1.844 53.878 52.037 -0.005 0.000 0.623 149 A CB -1.292 17.500 19.000 -0.347 0.000 0.818 149 A HN 0.703 nan 8.150 nan 0.000 0.443 150 A N -0.273 122.794 122.820 0.411 0.000 1.902 150 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 150 A C 2.237 179.999 177.584 0.296 0.000 1.181 150 A CA 1.777 54.108 52.037 0.489 0.000 0.623 150 A CB -0.495 18.737 19.000 0.387 0.000 0.818 150 A HN 0.571 nan 8.150 nan 0.000 0.443 151 R N -0.590 120.021 120.500 0.185 0.000 2.081 151 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 151 R C 1.869 178.217 176.300 0.080 0.000 1.131 151 R CA 1.704 57.876 56.100 0.120 0.000 0.960 151 R CB -0.087 30.263 30.300 0.083 0.000 0.856 151 R HN 0.273 nan 8.270 nan 0.000 0.436 152 K N 0.581 121.010 120.400 0.048 0.000 2.044 152 K HA -0.089 4.231 4.320 -0.000 0.000 0.204 152 K C 1.995 178.568 176.600 -0.046 0.000 1.049 152 K CA 1.188 57.477 56.287 0.002 0.000 0.945 152 K CB -0.311 32.182 32.500 -0.013 0.000 0.724 152 K HN 0.010 nan 8.250 nan 0.000 0.440 153 K N 0.367 120.697 120.400 -0.117 0.000 2.057 153 K HA -0.093 4.227 4.320 -0.000 0.000 0.206 153 K C 1.419 177.775 176.600 -0.407 0.000 1.050 153 K CA 1.504 57.595 56.287 -0.327 0.000 0.935 153 K CB -0.137 32.050 32.500 -0.521 0.000 0.715 153 K HN 0.224 nan 8.250 nan 0.000 0.439 154 Y N -1.749 118.607 120.300 0.093 0.000 2.481 154 Y HA 0.307 4.857 4.550 -0.000 0.000 0.247 154 Y C 1.069 176.999 175.900 0.050 0.000 1.151 154 Y CA -0.168 57.969 58.100 0.063 0.000 1.238 154 Y CB 1.087 39.578 38.460 0.052 0.000 1.179 154 Y HN 0.181 nan 8.280 nan 0.000 0.524 155 G N 0.860 109.751 108.800 0.151 0.000 2.147 155 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.244 155 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.244 155 G C -0.029 174.936 174.900 0.108 0.000 1.005 155 G CA 0.251 45.415 45.100 0.106 0.000 0.713 155 G HN 0.229 nan 8.290 nan 0.000 0.515 156 S N 0.137 115.920 115.700 0.138 0.000 2.572 156 S HA 0.420 4.890 4.470 -0.000 0.000 0.279 156 S C 1.000 175.647 174.600 0.077 0.000 1.341 156 S CA 0.636 58.901 58.200 0.109 0.000 1.043 156 S CB 0.902 64.181 63.200 0.131 0.000 0.887 156 S HN 1.026 nan 8.310 nan 0.000 0.516 157 N N -0.350 118.385 118.700 0.057 0.000 2.193 157 N HA 0.250 4.990 4.740 -0.000 0.000 0.236 157 N C -0.983 174.547 175.510 0.034 0.000 1.347 157 N CA -0.302 52.773 53.050 0.042 0.000 0.812 157 N CB 0.580 39.087 38.487 0.034 0.000 1.297 157 N HN 0.338 nan 8.380 nan 0.000 0.499 158 V N 0.159 120.095 119.914 0.037 0.000 2.823 158 V HA 0.463 4.583 4.120 -0.000 0.000 0.296 158 V C -1.593 174.523 176.094 0.037 0.000 1.250 158 V CA -0.706 61.613 62.300 0.031 0.000 0.939 158 V CB 1.918 33.755 31.823 0.023 0.000 1.062 158 V HN -0.039 nan 8.190 nan 0.000 0.433 159 V N 7.626 127.565 119.914 0.041 0.000 2.383 159 V HA 0.483 4.603 4.120 -0.000 0.000 0.275 159 V C 0.204 176.347 176.094 0.081 0.000 1.036 159 V CA -0.584 61.751 62.300 0.058 0.000 0.889 159 V CB 1.404 33.252 31.823 0.043 0.000 0.985 159 V HN 0.647 nan 8.190 nan 0.000 0.459 160 I N 5.523 126.140 120.570 0.078 0.000 2.396 160 I HA 0.228 4.398 4.170 -0.000 0.000 0.289 160 I C -0.507 175.712 176.117 0.169 0.000 1.056 160 I CA -0.142 61.205 61.300 0.078 0.000 1.365 160 I CB 0.281 38.286 38.000 0.009 0.000 1.407 160 I HN 0.652 nan 8.210 nan 0.000 0.509 161 Y N 8.846 129.154 120.300 0.013 0.000 2.426 161 Y HA 0.483 5.033 4.550 -0.000 0.000 0.325 161 Y C -2.516 173.399 175.900 0.025 0.000 0.989 161 Y CA -2.930 55.183 58.100 0.021 0.000 1.284 161 Y CB 1.555 40.041 38.460 0.043 0.000 1.104 161 Y HN 0.419 nan 8.280 nan 0.000 0.481 162 P HA -0.074 nan 4.420 nan 0.000 0.262 162 P C -0.935 176.032 177.300 -0.555 0.000 1.199 162 P CA 0.436 63.362 63.100 -0.291 0.000 0.763 162 P CB -0.005 31.555 31.700 -0.233 0.000 0.790 163 Y N 3.831 123.868 120.300 -0.437 0.000 2.852 163 Y HA 0.112 4.662 4.550 -0.000 0.000 0.343 163 Y C 0.376 175.933 175.900 -0.572 0.000 1.280 163 Y CA 0.293 58.138 58.100 -0.425 0.000 1.604 163 Y CB -0.416 37.929 38.460 -0.192 0.000 1.216 163 Y HN 0.397 nan 8.280 nan 0.000 0.541 164 A N 4.578 126.745 122.820 -1.087 0.000 2.702 164 A HA 0.410 4.730 4.320 -0.000 0.000 0.305 164 A C -0.232 176.902 177.584 -0.750 0.000 1.213 164 A CA -0.287 51.070 52.037 -1.134 0.000 0.745 164 A CB -0.129 18.370 19.000 -0.836 0.000 1.161 164 A HN 0.789 nan 8.150 nan 0.000 0.445 165 S N 2.260 117.397 115.700 -0.938 0.000 3.900 165 S HA 0.260 4.730 4.470 -0.000 0.000 0.248 165 S C -0.073 174.334 174.600 -0.322 0.000 1.310 165 S CA -0.181 57.457 58.200 -0.937 0.000 0.915 165 S CB -0.539 61.742 63.200 -1.532 0.000 1.588 165 S HN 0.699 nan 8.310 nan 0.000 0.472 166 H N 2.005 121.186 119.070 0.186 0.000 2.689 166 H HA 0.336 4.892 4.556 -0.000 0.000 0.346 166 H C 0.375 175.984 175.328 0.468 0.000 1.037 166 H CA -0.703 55.629 56.048 0.474 0.000 1.234 166 H CB 1.400 31.464 29.762 0.504 0.000 1.572 166 H HN 0.432 nan 8.280 nan 0.000 0.524 167 K N 1.993 122.617 120.400 0.374 0.000 2.113 167 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 167 K C 1.935 178.729 176.600 0.323 0.000 1.047 167 K CA 1.617 58.086 56.287 0.303 0.000 0.928 167 K CB 0.174 32.739 32.500 0.107 0.000 0.716 167 K HN 0.319 nan 8.250 nan 0.000 0.446 168 S N 0.931 116.944 115.700 0.522 0.000 2.363 168 S HA -0.072 4.398 4.470 -0.000 0.000 0.218 168 S C -0.788 173.942 174.600 0.217 0.000 1.035 168 S CA 1.397 59.809 58.200 0.353 0.000 1.043 168 S CB -0.835 62.577 63.200 0.355 0.000 0.986 168 S HN 0.103 nan 8.310 nan 0.000 0.423 169 P HA -0.060 nan 4.420 nan 0.000 0.218 169 P C 1.568 178.875 177.300 0.012 0.000 1.149 169 P CA 1.116 64.278 63.100 0.104 0.000 0.817 169 P CB -0.249 31.545 31.700 0.157 0.000 0.785 170 I N 0.135 120.753 120.570 0.080 0.000 2.226 170 I HA -0.209 3.961 4.170 -0.000 0.000 0.245 170 I C 2.759 178.895 176.117 0.031 0.000 1.100 170 I CA 1.528 62.827 61.300 -0.001 0.000 1.374 170 I CB -0.465 37.635 38.000 0.166 0.000 1.057 170 I HN -0.036 nan 8.210 nan 0.000 0.413 171 K N 1.078 121.535 120.400 0.095 0.000 2.211 171 K HA -0.110 4.210 4.320 -0.000 0.000 0.203 171 K C 2.141 178.806 176.600 0.109 0.000 1.050 171 K CA 1.110 57.458 56.287 0.102 0.000 0.945 171 K CB 0.007 32.572 32.500 0.108 0.000 0.732 171 K HN 0.282 nan 8.250 nan 0.000 0.451 172 A N 0.385 123.246 122.820 0.069 0.000 1.898 172 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 172 A C 2.133 179.778 177.584 0.101 0.000 1.181 172 A CA 1.364 53.442 52.037 0.069 0.000 0.620 172 A CB -0.450 18.565 19.000 0.025 0.000 0.819 172 A HN 0.149 nan 8.150 nan 0.000 0.442 173 V N -0.633 119.292 119.914 0.018 0.000 2.548 173 V HA -0.157 3.963 4.120 -0.000 0.000 0.249 173 V C 2.770 178.885 176.094 0.034 0.000 1.055 173 V CA 2.153 64.449 62.300 -0.006 0.000 1.065 173 V CB -0.398 31.347 31.823 -0.130 0.000 0.681 173 V HN 0.645 nan 8.190 nan 0.000 0.462 174 S N -0.595 115.136 115.700 0.052 0.000 2.357 174 S HA -0.175 4.295 4.470 -0.000 0.000 0.221 174 S C 1.924 176.570 174.600 0.078 0.000 1.031 174 S CA 1.573 59.807 58.200 0.056 0.000 0.982 174 S CB -0.419 62.820 63.200 0.064 0.000 0.853 174 S HN 0.562 nan 8.310 nan 0.000 0.458 175 F N 2.041 121.987 119.950 -0.007 0.000 2.063 175 F HA -0.117 4.410 4.527 -0.000 0.000 0.298 175 F C 2.135 177.929 175.800 -0.010 0.000 1.109 175 F CA 1.945 59.940 58.000 -0.007 0.000 1.212 175 F CB -0.785 38.211 39.000 -0.006 0.000 0.973 175 F HN 0.111 nan 8.300 nan 0.000 0.480 176 V N 1.149 121.134 119.914 0.119 0.000 3.383 176 V HA 0.117 4.237 4.120 -0.000 0.000 0.272 176 V C 1.098 177.158 176.094 -0.056 0.000 1.181 176 V CA 0.788 63.100 62.300 0.020 0.000 1.171 176 V CB -1.729 30.173 31.823 0.132 0.000 0.800 176 V HN 0.868 nan 8.190 nan 0.000 0.515 182 L N 3.778 125.067 121.223 0.110 0.000 2.380 182 L HA 0.374 4.714 4.340 -0.000 0.000 0.273 182 L C -0.039 176.860 176.870 0.049 0.000 1.138 182 L CA -0.216 54.707 54.840 0.139 0.000 0.832 182 L CB 1.523 43.659 42.059 0.128 0.000 1.124 182 L HN 0.278 nan 8.230 nan 0.000 0.454 183 V N 2.315 122.249 119.914 0.034 0.000 2.304 183 V HA 0.263 4.383 4.120 -0.000 0.000 0.278 183 V C 0.313 176.385 176.094 -0.035 0.000 1.018 183 V CA -0.897 61.392 62.300 -0.019 0.000 0.814 183 V CB 0.792 32.594 31.823 -0.035 0.000 1.021 183 V HN 0.713 nan 8.190 nan 0.000 0.440 184 E N 2.525 122.685 120.200 -0.067 0.000 2.485 184 E HA 0.143 4.493 4.350 -0.000 0.000 0.266 184 E C 0.770 177.335 176.600 -0.058 0.000 1.090 184 E CA 0.457 56.801 56.400 -0.093 0.000 0.987 184 E CB 0.502 30.132 29.700 -0.117 0.000 0.974 184 E HN 0.873 nan 8.360 nan 0.000 0.455 185 T N -1.699 112.850 114.554 -0.008 0.000 2.927 185 T HA 0.615 4.965 4.350 -0.000 0.000 0.281 185 T C -0.232 174.453 174.700 -0.025 0.000 0.998 185 T CA -1.021 61.068 62.100 -0.019 0.000 1.019 185 T CB 1.153 70.076 68.868 0.092 0.000 1.061 185 T HN 0.139 nan 8.240 nan 0.000 0.518 186 V N 1.863 121.604 119.914 -0.287 0.000 2.864 186 V HA 0.479 4.599 4.120 -0.000 0.000 0.314 186 V C -0.430 175.386 176.094 -0.463 0.000 1.073 186 V CA -1.206 60.905 62.300 -0.315 0.000 0.956 186 V CB 1.963 33.494 31.823 -0.487 0.000 1.023 186 V HN 0.874 nan 8.190 nan 0.000 0.435 187 L N 3.355 124.329 121.223 -0.417 0.000 2.292 187 L HA 0.619 4.959 4.340 -0.000 0.000 0.284 187 L C -1.059 175.742 176.870 -0.115 0.000 1.065 187 L CA 0.233 54.815 54.840 -0.429 0.000 0.806 187 L CB 1.148 42.915 42.059 -0.486 0.000 1.175 187 L HN 0.912 nan 8.230 nan 0.000 0.431 188 D N 3.968 124.366 120.400 -0.003 0.000 2.328 188 D HA 0.529 5.169 4.640 -0.000 0.000 0.243 188 D C 0.403 176.743 176.300 0.066 0.000 1.324 188 D CA 0.798 54.854 54.000 0.094 0.000 0.966 188 D CB 0.866 41.836 40.800 0.283 0.000 1.324 188 D HN 0.923 nan 8.370 nan 0.000 0.549 189 G N 3.550 112.364 108.800 0.023 0.000 2.536 189 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.280 189 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.280 189 G C 0.450 175.362 174.900 0.021 0.000 1.152 189 G CA 0.293 45.404 45.100 0.018 0.000 0.970 189 G HN 0.494 nan 8.290 nan 0.000 0.549 190 D N 1.974 122.414 120.400 0.067 0.000 2.340 190 D HA 0.182 4.822 4.640 -0.000 0.000 0.217 190 D C 1.327 177.768 176.300 0.234 0.000 1.081 190 D CA 0.401 54.486 54.000 0.141 0.000 0.842 190 D CB 0.289 41.141 40.800 0.086 0.000 0.934 190 D HN 0.374 nan 8.370 nan 0.000 0.511 191 R N 0.047 120.640 120.500 0.156 0.000 2.720 191 R HA 0.668 5.008 4.340 -0.000 0.000 0.272 191 R C -0.680 175.698 176.300 0.130 0.000 0.991 191 R CA -0.785 55.401 56.100 0.144 0.000 1.010 191 R CB 2.594 32.965 30.300 0.118 0.000 1.141 191 R HN -0.233 nan 8.270 nan 0.000 0.494 192 V N 2.669 122.647 119.914 0.106 0.000 2.638 192 V HA 0.475 4.595 4.120 -0.000 0.000 0.306 192 V C -1.316 174.848 176.094 0.117 0.000 1.052 192 V CA -0.788 61.511 62.300 -0.002 0.000 0.885 192 V CB 1.449 33.241 31.823 -0.052 0.000 0.999 192 V HN 0.825 nan 8.190 nan 0.000 0.424 193 Y N 2.398 122.673 120.300 -0.041 0.000 2.638 193 Y HA 0.859 5.409 4.550 -0.000 0.000 0.335 193 Y C -1.333 174.550 175.900 -0.028 0.000 1.155 193 Y CA -1.470 56.613 58.100 -0.029 0.000 1.046 193 Y CB 1.789 40.237 38.460 -0.021 0.000 1.303 193 Y HN 0.205 nan 8.280 nan 0.000 0.460 194 V N 2.999 122.950 119.914 0.061 0.000 2.311 194 V HA 0.411 4.531 4.120 -0.000 0.000 0.275 194 V C -2.421 173.734 176.094 0.100 0.000 1.022 194 V CA -1.952 60.328 62.300 -0.033 0.000 0.830 194 V CB 0.840 32.635 31.823 -0.048 0.000 1.012 194 V HN 0.599 nan 8.190 nan 0.000 0.452 195 P HA 0.072 nan 4.420 nan 0.000 0.263 195 P C 1.104 178.440 177.300 0.059 0.000 1.195 195 P CA 0.100 63.298 63.100 0.163 0.000 0.762 195 P CB 0.903 32.656 31.700 0.090 0.000 0.799 196 V N 3.395 123.339 119.914 0.051 0.000 2.469 196 V HA -0.251 3.869 4.120 -0.000 0.000 0.251 196 V C 2.154 178.233 176.094 -0.026 0.000 1.064 196 V CA 1.831 64.124 62.300 -0.011 0.000 1.066 196 V CB -1.039 30.768 31.823 -0.027 0.000 0.667 196 V HN 0.675 nan 8.190 nan 0.000 0.461 197 E N 0.228 120.425 120.200 -0.004 0.000 2.118 197 E HA -0.289 4.061 4.350 -0.000 0.000 0.195 197 E C 1.799 178.384 176.600 -0.026 0.000 0.992 197 E CA 1.667 58.060 56.400 -0.012 0.000 0.804 197 E CB -0.044 29.658 29.700 0.005 0.000 0.741 197 E HN 0.638 nan 8.360 nan 0.000 0.458 198 D N 0.182 120.567 120.400 -0.025 0.000 2.117 198 D HA -0.114 4.526 4.640 -0.000 0.000 0.198 198 D C 1.939 178.206 176.300 -0.056 0.000 0.982 198 D CA 0.894 54.871 54.000 -0.039 0.000 0.828 198 D CB -0.074 40.700 40.800 -0.043 0.000 0.967 198 D HN 0.248 nan 8.370 nan 0.000 0.464 199 I N 0.618 121.150 120.570 -0.065 0.000 2.142 199 I HA -0.238 3.932 4.170 -0.000 0.000 0.240 199 I C 2.411 178.449 176.117 -0.132 0.000 1.078 199 I CA 1.159 62.404 61.300 -0.091 0.000 1.343 199 I CB -0.275 37.665 38.000 -0.099 0.000 1.046 199 I HN 0.056 nan 8.210 nan 0.000 0.405 200 E N 1.235 121.353 120.200 -0.138 0.000 2.118 200 E HA -0.248 4.102 4.350 -0.000 0.000 0.195 200 E C 1.878 178.367 176.600 -0.184 0.000 0.992 200 E CA 1.422 57.701 56.400 -0.201 0.000 0.804 200 E CB 0.065 29.693 29.700 -0.121 0.000 0.741 200 E HN 0.433 nan 8.360 nan 0.000 0.458 201 N N 0.418 119.059 118.700 -0.098 0.000 2.244 201 N HA -0.115 4.625 4.740 -0.000 0.000 0.183 201 N C 1.595 177.059 175.510 -0.077 0.000 1.016 201 N CA 1.130 54.141 53.050 -0.065 0.000 0.866 201 N CB -0.361 38.105 38.487 -0.036 0.000 0.980 201 N HN 0.250 nan 8.380 nan 0.000 0.430 202 A N 1.462 124.229 122.820 -0.087 0.000 1.877 202 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 202 A C 2.327 179.852 177.584 -0.099 0.000 1.186 202 A CA 0.880 52.873 52.037 -0.074 0.000 0.620 202 A CB -0.673 18.289 19.000 -0.063 0.000 0.822 202 A HN 0.173 nan 8.150 nan 0.000 0.443 203 I N -0.302 120.166 120.570 -0.170 0.000 2.099 203 I HA -0.323 3.847 4.170 -0.000 0.000 0.239 203 I C 2.585 178.589 176.117 -0.188 0.000 1.066 203 I CA 2.076 63.238 61.300 -0.230 0.000 1.324 203 I CB -0.348 37.383 38.000 -0.450 0.000 1.037 203 I HN 0.436 nan 8.210 nan 0.000 0.401 204 K N 1.597 121.871 120.400 -0.210 0.000 2.034 204 K HA -0.315 4.005 4.320 -0.000 0.000 0.214 204 K C 2.233 178.827 176.600 -0.010 0.000 1.051 204 K CA 2.252 58.511 56.287 -0.046 0.000 0.931 204 K CB -0.191 32.314 32.500 0.007 0.000 0.715 204 K HN 0.136 nan 8.250 nan 0.000 0.446 205 K N 0.204 120.587 120.400 -0.028 0.000 2.057 205 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 205 K C 1.955 178.549 176.600 -0.009 0.000 1.049 205 K CA 1.621 57.900 56.287 -0.013 0.000 0.931 205 K CB 0.074 32.563 32.500 -0.019 0.000 0.714 205 K HN 0.161 nan 8.250 nan 0.000 0.440 206 E N 0.690 120.877 120.200 -0.020 0.000 2.106 206 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 206 E C 2.014 178.615 176.600 0.002 0.000 0.984 206 E CA 0.942 57.336 56.400 -0.010 0.000 0.806 206 E CB -0.069 29.621 29.700 -0.017 0.000 0.750 206 E HN 0.455 nan 8.360 nan 0.000 0.458 207 I N 1.097 121.669 120.570 0.004 0.000 2.315 207 I HA -0.227 3.943 4.170 -0.000 0.000 0.248 207 I C 2.612 178.746 176.117 0.028 0.000 1.117 207 I CA 0.942 62.259 61.300 0.027 0.000 1.404 207 I CB -0.298 37.737 38.000 0.060 0.000 1.071 207 I HN 0.153 nan 8.210 nan 0.000 0.419 208 E N 1.872 122.087 120.200 0.025 0.000 2.070 208 E HA -0.233 4.117 4.350 -0.000 0.000 0.197 208 E C 1.293 177.903 176.600 0.016 0.000 1.004 208 E CA 1.502 57.915 56.400 0.022 0.000 0.805 208 E CB -0.118 29.592 29.700 0.017 0.000 0.744 208 E HN 0.473 nan 8.360 nan 0.000 0.451 209 L N -0.435 120.795 121.223 0.013 0.000 2.888 209 L HA 0.462 4.802 4.340 -0.000 0.000 0.237 209 L C 1.198 178.076 176.870 0.013 0.000 1.288 209 L CA 0.551 55.398 54.840 0.011 0.000 1.110 209 L CB 0.039 42.103 42.059 0.008 0.000 1.441 209 L HN 0.264 nan 8.230 nan 0.000 0.474 210 G N -1.112 107.698 108.800 0.017 0.000 2.328 210 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.256 210 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.256 210 G C 0.669 175.582 174.900 0.021 0.000 1.014 210 G CA 0.311 45.422 45.100 0.019 0.000 0.620 210 G HN 0.509 nan 8.290 nan 0.000 0.530 211 N N 0.398 119.110 118.700 0.019 0.000 2.340 211 N HA 0.354 5.094 4.740 -0.000 0.000 0.236 211 N C 0.460 175.986 175.510 0.026 0.000 1.296 211 N CA 0.264 53.327 53.050 0.021 0.000 0.896 211 N CB 0.203 38.700 38.487 0.017 0.000 1.127 211 N HN 0.424 nan 8.380 nan 0.000 0.442 212 R N 1.189 121.707 120.500 0.031 0.000 2.335 212 R HA 0.286 4.626 4.340 -0.000 0.000 0.302 212 R C -2.213 174.105 176.300 0.031 0.000 1.147 212 R CA -1.413 54.710 56.100 0.037 0.000 1.111 212 R CB 1.308 31.641 30.300 0.055 0.000 1.122 212 R HN 0.439 nan 8.270 nan 0.000 0.557 213 P HA -0.015 nan 4.420 nan 0.000 0.271 213 P C -0.540 176.758 177.300 -0.004 0.000 1.218 213 P CA -0.250 62.849 63.100 -0.003 0.000 0.780 213 P CB 1.219 32.897 31.700 -0.036 0.000 0.901 214 C N 3.849 123.157 119.300 0.013 0.000 2.441 214 C HA 0.472 4.932 4.460 -0.000 0.000 0.318 214 C C -0.468 174.546 174.990 0.038 0.000 1.222 214 C CA -0.390 58.643 59.018 0.026 0.000 1.474 214 C CB 0.738 28.516 27.740 0.064 0.000 2.125 214 C HN 0.384 nan 8.230 nan 0.000 0.479 215 V N 7.262 127.203 119.914 0.044 0.000 2.383 215 V HA 0.367 4.487 4.120 -0.000 0.000 0.275 215 V C 0.068 176.275 176.094 0.187 0.000 1.036 215 V CA -0.321 62.027 62.300 0.080 0.000 0.889 215 V CB 1.477 33.288 31.823 -0.020 0.000 0.985 215 V HN 0.802 nan 8.190 nan 0.000 0.459 216 L N 6.233 127.568 121.223 0.186 0.000 2.335 216 L HA 0.465 4.805 4.340 -0.000 0.000 0.268 216 L C 0.515 177.497 176.870 0.185 0.000 1.037 216 L CA -0.063 54.901 54.840 0.207 0.000 0.895 216 L CB 1.118 43.333 42.059 0.261 0.000 1.266 216 L HN 0.845 nan 8.230 nan 0.000 0.439 217 S N 1.767 117.555 115.700 0.146 0.000 2.646 217 S HA 0.522 4.992 4.470 -0.000 0.000 0.276 217 S C 0.012 174.602 174.600 -0.017 0.000 1.222 217 S CA -0.529 57.710 58.200 0.064 0.000 1.014 217 S CB 1.756 65.072 63.200 0.193 0.000 0.991 217 S HN 0.501 nan 8.310 nan 0.000 0.533 218 T N 2.741 117.237 114.554 -0.096 0.000 2.791 218 T HA 0.352 4.702 4.350 -0.000 0.000 0.288 218 T C 0.579 175.209 174.700 -0.116 0.000 0.999 218 T CA -0.500 61.524 62.100 -0.127 0.000 0.952 218 T CB 1.193 69.928 68.868 -0.220 0.000 0.938 218 T HN 0.571 nan 8.240 nan 0.000 0.444 219 L N 4.221 125.362 121.223 -0.136 0.000 2.249 219 L HA 0.291 4.631 4.340 -0.000 0.000 0.207 219 L C 1.105 177.825 176.870 -0.251 0.000 1.090 219 L CA 1.195 55.954 54.840 -0.134 0.000 0.802 219 L CB 0.113 42.084 42.059 -0.146 0.000 0.947 219 L HN 0.717 nan 8.230 nan 0.000 0.453 220 T N -2.181 112.100 114.554 -0.456 0.000 2.812 220 T HA 0.553 4.903 4.350 -0.000 0.000 0.282 220 T C -0.796 173.630 174.700 -0.456 0.000 0.990 220 T CA -0.432 61.199 62.100 -0.782 0.000 0.960 220 T CB 1.435 69.366 68.868 -1.562 0.000 0.948 220 T HN 0.036 nan 8.240 nan 0.000 0.438 221 F N 1.746 121.473 119.950 -0.373 0.000 2.713 221 F HA 0.612 5.139 4.527 -0.000 0.000 0.311 221 F C -1.279 174.487 175.800 -0.057 0.000 1.141 221 F CA -2.200 55.638 58.000 -0.270 0.000 0.939 221 F CB 1.289 40.194 39.000 -0.158 0.000 1.325 221 F HN 0.686 nan 8.300 nan 0.000 0.453 222 F N 3.880 123.605 119.950 -0.375 0.000 2.635 222 F HA 0.045 4.572 4.527 -0.000 0.000 0.379 222 F C -1.296 174.561 175.800 0.095 0.000 1.094 222 F CA -0.347 57.579 58.000 -0.123 0.000 1.300 222 F CB -0.363 38.478 39.000 -0.265 0.000 1.035 222 F HN 0.397 nan 8.300 nan 0.000 0.581 223 P HA -0.303 nan 4.420 nan 0.000 0.227 223 P C -1.229 176.117 177.300 0.078 0.000 1.141 223 P CA 2.502 65.680 63.100 0.131 0.000 0.964 223 P CB -1.046 30.693 31.700 0.065 0.000 0.784 224 P HA -0.162 nan 4.420 nan 0.000 0.213 224 P C 0.626 177.962 177.300 0.060 0.000 1.170 224 P CA 1.263 64.324 63.100 -0.064 0.000 0.902 224 P CB -0.346 31.230 31.700 -0.207 0.000 0.789 225 R N 0.870 121.470 120.500 0.167 0.000 2.489 225 R HA 0.058 4.398 4.340 -0.000 0.000 0.287 225 R C 0.002 176.402 176.300 0.167 0.000 1.053 225 R CA -0.164 56.034 56.100 0.164 0.000 1.036 225 R CB -0.078 30.330 30.300 0.180 0.000 0.966 225 R HN 0.035 nan 8.270 nan 0.000 0.432 226 N N 0.918 119.703 118.700 0.142 0.000 2.424 226 N HA 0.036 4.776 4.740 -0.000 0.000 0.257 226 N C -0.723 174.867 175.510 0.134 0.000 1.250 226 N CA -0.164 52.971 53.050 0.142 0.000 0.946 226 N CB 1.184 39.743 38.487 0.120 0.000 1.175 226 N HN 0.652 nan 8.380 nan 0.000 0.477 227 S N -0.118 115.681 115.700 0.165 0.000 2.548 227 S HA 0.182 4.652 4.470 -0.000 0.000 0.277 227 S C -0.182 174.457 174.600 0.065 0.000 1.315 227 S CA -0.893 57.389 58.200 0.137 0.000 1.050 227 S CB 0.589 63.938 63.200 0.248 0.000 0.918 227 S HN 0.307 nan 8.310 nan 0.000 0.497 228 D N 1.491 121.898 120.400 0.011 0.000 2.478 228 D HA -0.024 4.616 4.640 -0.000 0.000 0.234 228 D C 0.035 176.339 176.300 0.005 0.000 1.154 228 D CA 0.422 54.421 54.000 -0.002 0.000 0.874 228 D CB 0.357 41.137 40.800 -0.034 0.000 1.198 228 D HN 0.659 nan 8.370 nan 0.000 0.455 229 D N 2.300 122.699 120.400 -0.002 0.000 2.597 229 D HA -0.043 4.597 4.640 -0.000 0.000 0.228 229 D C 1.325 177.612 176.300 -0.022 0.000 1.120 229 D CA -0.309 53.679 54.000 -0.020 0.000 1.083 229 D CB -0.228 40.553 40.800 -0.031 0.000 1.116 229 D HN 0.222 nan 8.370 nan 0.000 0.487 230 I N 2.067 122.634 120.570 -0.005 0.000 2.248 230 I HA -0.313 3.857 4.170 -0.000 0.000 0.248 230 I C 2.379 178.518 176.117 0.035 0.000 1.107 230 I CA 0.918 62.239 61.300 0.035 0.000 1.373 230 I CB -0.027 37.973 38.000 -0.001 0.000 1.055 230 I HN 0.216 nan 8.210 nan 0.000 0.418 231 V N -0.307 119.603 119.914 -0.007 0.000 2.307 231 V HA -0.245 3.875 4.120 -0.000 0.000 0.245 231 V C 2.489 178.541 176.094 -0.070 0.000 1.045 231 V CA 1.839 64.147 62.300 0.012 0.000 1.024 231 V CB -0.548 31.287 31.823 0.019 0.000 0.651 231 V HN 0.346 nan 8.190 nan 0.000 0.449 232 E N 0.357 120.498 120.200 -0.098 0.000 2.077 232 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 232 E C 1.948 178.441 176.600 -0.179 0.000 0.989 232 E CA 1.451 57.759 56.400 -0.153 0.000 0.800 232 E CB -0.381 29.256 29.700 -0.105 0.000 0.746 232 E HN 0.603 nan 8.360 nan 0.000 0.452 233 I N 0.060 120.535 120.570 -0.158 0.000 2.286 233 I HA -0.277 3.893 4.170 -0.000 0.000 0.248 233 I C 2.268 178.175 176.117 -0.350 0.000 1.115 233 I CA 1.036 62.182 61.300 -0.258 0.000 1.392 233 I CB -0.338 37.495 38.000 -0.277 0.000 1.065 233 I HN 0.126 nan 8.210 nan 0.000 0.418 234 A N 0.687 123.391 122.820 -0.194 0.000 1.898 234 A HA -0.248 4.072 4.320 -0.000 0.000 0.216 234 A C 2.405 179.934 177.584 -0.091 0.000 1.181 234 A CA 1.814 53.832 52.037 -0.031 0.000 0.620 234 A CB -0.483 18.642 19.000 0.209 0.000 0.819 234 A HN 0.344 nan 8.150 nan 0.000 0.442 235 K N -0.273 119.930 120.400 -0.327 0.000 2.002 235 K HA -0.089 4.231 4.320 -0.000 0.000 0.209 235 K C 1.863 178.324 176.600 -0.233 0.000 1.048 235 K CA 1.641 57.583 56.287 -0.576 0.000 0.930 235 K CB -0.327 31.635 32.500 -0.896 0.000 0.714 235 K HN 0.475 nan 8.250 nan 0.000 0.438 236 I N 0.868 121.330 120.570 -0.181 0.000 2.208 236 I HA -0.368 3.802 4.170 -0.000 0.000 0.245 236 I C 2.435 178.563 176.117 0.017 0.000 1.097 236 I CA 0.997 62.268 61.300 -0.049 0.000 1.363 236 I CB -0.253 37.691 38.000 -0.093 0.000 1.051 236 I HN 0.365 nan 8.210 nan 0.000 0.413 237 C N 0.257 119.494 119.300 -0.104 0.000 2.432 237 C HA -0.144 4.316 4.460 -0.000 0.000 0.280 237 C C 2.734 177.723 174.990 -0.003 0.000 1.353 237 C CA 0.915 59.880 59.018 -0.087 0.000 1.766 237 C CB -1.003 26.618 27.740 -0.198 0.000 1.924 237 C HN 0.523 nan 8.230 nan 0.000 0.509 238 E N 0.982 121.188 120.200 0.010 0.000 2.107 238 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 238 E C 1.678 178.297 176.600 0.031 0.000 0.982 238 E CA 0.931 57.353 56.400 0.037 0.000 0.809 238 E CB -0.073 29.685 29.700 0.097 0.000 0.756 238 E HN 0.540 nan 8.360 nan 0.000 0.459 239 N N -0.212 118.506 118.700 0.031 0.000 2.223 239 N HA -0.149 4.591 4.740 -0.000 0.000 0.185 239 N C 0.952 176.415 175.510 -0.078 0.000 1.016 239 N CA 1.051 54.084 53.050 -0.029 0.000 0.863 239 N CB -0.202 38.254 38.487 -0.053 0.000 0.983 239 N HN 0.316 nan 8.380 nan 0.000 0.429 240 Y N 0.071 120.333 120.300 -0.063 0.000 2.462 240 Y HA 0.081 4.631 4.550 -0.000 0.000 0.261 240 Y C 0.040 175.904 175.900 -0.060 0.000 1.146 240 Y CA -0.298 57.768 58.100 -0.058 0.000 1.283 240 Y CB 0.145 38.567 38.460 -0.065 0.000 1.090 240 Y HN -0.032 nan 8.280 nan 0.000 0.526 241 D N 0.512 120.949 120.400 0.061 0.000 2.848 241 D HA -0.187 4.453 4.640 -0.000 0.000 0.245 241 D C -1.241 175.031 176.300 -0.046 0.000 1.122 241 D CA 0.338 54.332 54.000 -0.011 0.000 0.769 241 D CB -1.111 39.686 40.800 -0.006 0.000 1.025 241 D HN 0.079 nan 8.370 nan 0.000 0.423 242 I N 1.257 121.781 120.570 -0.075 0.000 2.730 242 I HA 0.507 4.677 4.170 -0.000 0.000 0.298 242 I C -2.024 173.969 176.117 -0.207 0.000 1.089 242 I CA -2.283 58.945 61.300 -0.120 0.000 1.041 242 I CB 1.925 39.885 38.000 -0.068 0.000 1.235 242 I HN -0.101 nan 8.210 nan 0.000 0.423 243 P HA 0.094 nan 4.420 nan 0.000 0.272 243 P C -1.223 176.034 177.300 -0.071 0.000 1.223 243 P CA 0.121 63.039 63.100 -0.303 0.000 0.784 243 P CB 0.539 32.078 31.700 -0.269 0.000 0.923 244 H N 1.672 120.626 119.070 -0.194 0.000 2.924 244 H HA 0.514 5.070 4.556 -0.000 0.000 0.333 244 H C -1.076 174.203 175.328 -0.081 0.000 0.979 244 H CA -0.789 55.195 56.048 -0.106 0.000 1.326 244 H CB 0.796 30.507 29.762 -0.085 0.000 1.600 244 H HN 0.239 nan 8.280 nan 0.000 0.520 245 I N 6.736 127.268 120.570 -0.063 0.000 2.465 245 I HA 0.312 4.482 4.170 -0.000 0.000 0.291 245 I C -0.438 175.565 176.117 -0.191 0.000 1.014 245 I CA -0.764 60.459 61.300 -0.128 0.000 1.093 245 I CB 2.266 40.284 38.000 0.029 0.000 1.267 245 I HN 0.418 nan 8.210 nan 0.000 0.431 246 I N 4.874 125.294 120.570 -0.251 0.000 2.404 246 I HA 0.277 4.447 4.170 -0.000 0.000 0.293 246 I C -0.127 175.911 176.117 -0.131 0.000 0.992 246 I CA -0.649 60.531 61.300 -0.201 0.000 1.149 246 I CB 1.657 39.502 38.000 -0.260 0.000 1.315 246 I HN 0.518 nan 8.210 nan 0.000 0.446 247 N N 4.931 123.579 118.700 -0.086 0.000 2.415 247 N HA 0.240 4.980 4.740 -0.000 0.000 0.246 247 N C 0.074 175.497 175.510 -0.144 0.000 1.078 247 N CA -0.248 52.753 53.050 -0.082 0.000 0.942 247 N CB 1.286 39.753 38.487 -0.034 0.000 1.140 247 N HN 0.806 nan 8.380 nan 0.000 0.501 248 G N 2.332 111.046 108.800 -0.143 0.000 4.644 248 G HA2 0.415 4.375 3.960 -0.000 0.000 0.307 248 G HA3 0.415 4.375 3.960 -0.000 0.000 0.307 248 G C 1.125 175.936 174.900 -0.148 0.000 1.331 248 G CA 0.138 45.132 45.100 -0.176 0.000 1.059 248 G HN 0.705 nan 8.290 nan 0.000 0.590 249 A N 1.220 123.924 122.820 -0.194 0.000 1.893 249 A HA -0.207 4.113 4.320 -0.000 0.000 0.222 249 A C 1.518 179.110 177.584 0.013 0.000 1.309 249 A CA 2.126 54.102 52.037 -0.100 0.000 0.681 249 A CB -0.804 18.108 19.000 -0.148 0.000 0.842 249 A HN 1.207 nan 8.150 nan 0.000 0.468 250 Y N -4.033 116.209 120.300 -0.097 0.000 2.617 250 Y HA 0.772 5.322 4.550 -0.000 0.000 0.328 250 Y C 1.145 177.006 175.900 -0.064 0.000 0.946 250 Y CA -0.417 57.658 58.100 -0.041 0.000 1.241 250 Y CB -0.567 37.868 38.460 -0.040 0.000 1.226 250 Y HN 0.212 nan 8.280 nan 0.000 0.582 251 A N 0.864 123.653 122.820 -0.051 0.000 1.935 251 A HA 0.054 4.374 4.320 -0.000 0.000 0.214 251 A C 1.925 179.668 177.584 0.264 0.000 1.178 251 A CA 1.027 53.062 52.037 -0.004 0.000 0.640 251 A CB -0.491 18.489 19.000 -0.033 0.000 0.825 251 A HN 0.650 nan 8.150 nan 0.000 0.447 252 I N 0.928 121.681 120.570 0.305 0.000 2.248 252 I HA -0.394 3.776 4.170 -0.000 0.000 0.248 252 I C 2.729 179.061 176.117 0.358 0.000 1.107 252 I CA 1.953 63.456 61.300 0.339 0.000 1.373 252 I CB -0.467 37.756 38.000 0.372 0.000 1.055 252 I HN 0.631 nan 8.210 nan 0.000 0.418 253 Q N 0.469 120.490 119.800 0.368 0.000 2.364 253 Q HA -0.075 4.265 4.340 -0.000 0.000 0.207 253 Q C 0.735 176.901 176.000 0.276 0.000 0.970 253 Q CA 0.881 56.886 55.803 0.337 0.000 0.888 253 Q CB -0.142 28.752 28.738 0.258 0.000 0.951 253 Q HN 0.398 nan 8.270 nan 0.000 0.469 254 N N 0.222 119.124 118.700 0.337 0.000 2.352 254 N HA 0.112 4.852 4.740 -0.000 0.000 0.291 254 N C -0.384 175.279 175.510 0.254 0.000 1.040 254 N CA -0.370 52.858 53.050 0.296 0.000 0.864 254 N CB 1.278 39.991 38.487 0.376 0.000 1.440 254 N HN 0.075 nan 8.380 nan 0.000 0.483 255 N N 2.003 120.801 118.700 0.163 0.000 2.192 255 N HA -0.223 4.517 4.740 -0.000 0.000 0.188 255 N C 1.262 176.817 175.510 0.075 0.000 1.013 255 N CA 1.047 54.162 53.050 0.109 0.000 0.863 255 N CB -0.347 38.187 38.487 0.077 0.000 0.990 255 N HN 0.633 nan 8.380 nan 0.000 0.430 256 Y N 1.048 121.303 120.300 -0.074 0.000 2.151 256 Y HA -0.274 4.276 4.550 -0.000 0.000 0.284 256 Y C 1.787 177.556 175.900 -0.218 0.000 1.166 256 Y CA 1.576 59.548 58.100 -0.213 0.000 1.163 256 Y CB -0.647 37.572 38.460 -0.402 0.000 0.974 256 Y HN 0.069 nan 8.280 nan 0.000 0.511 257 Y N -0.993 119.296 120.300 -0.019 0.000 2.365 257 Y HA -0.094 4.456 4.550 -0.000 0.000 0.293 257 Y C 2.313 178.153 175.900 -0.101 0.000 1.119 257 Y CA 0.699 58.733 58.100 -0.112 0.000 1.203 257 Y CB -0.222 38.252 38.460 0.022 0.000 1.026 257 Y HN 0.056 nan 8.280 nan 0.000 0.549 258 L N -0.257 121.033 121.223 0.112 0.000 2.093 258 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 258 L C 2.269 179.117 176.870 -0.036 0.000 1.085 258 L CA 1.062 55.937 54.840 0.058 0.000 0.755 258 L CB -0.390 41.719 42.059 0.083 0.000 0.904 258 L HN 0.207 nan 8.230 nan 0.000 0.435 259 E N 0.667 120.825 120.200 -0.070 0.000 2.110 259 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 259 E C 2.126 178.639 176.600 -0.145 0.000 0.988 259 E CA 1.114 57.455 56.400 -0.098 0.000 0.804 259 E CB -0.072 29.567 29.700 -0.102 0.000 0.745 259 E HN 0.484 nan 8.360 nan 0.000 0.458 260 K N 0.340 120.624 120.400 -0.194 0.000 2.057 260 K HA -0.039 4.281 4.320 -0.000 0.000 0.206 260 K C 2.375 178.840 176.600 -0.225 0.000 1.050 260 K CA 0.707 56.875 56.287 -0.198 0.000 0.935 260 K CB -0.141 32.233 32.500 -0.210 0.000 0.715 260 K HN 0.075 nan 8.250 nan 0.000 0.439 261 L N 1.198 122.255 121.223 -0.277 0.000 2.093 261 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 261 L C 2.239 178.644 176.870 -0.775 0.000 1.085 261 L CA 1.313 55.794 54.840 -0.599 0.000 0.755 261 L CB -0.270 41.494 42.059 -0.493 0.000 0.904 261 L HN 0.128 nan 8.230 nan 0.000 0.435 262 K N 0.330 120.531 120.400 -0.332 0.000 2.032 262 K HA -0.198 4.122 4.320 -0.000 0.000 0.209 262 K C 2.086 178.616 176.600 -0.117 0.000 1.048 262 K CA 1.494 57.701 56.287 -0.134 0.000 0.927 262 K CB -0.127 32.346 32.500 -0.044 0.000 0.712 262 K HN 0.276 nan 8.250 nan 0.000 0.441 263 K N 0.385 120.713 120.400 -0.120 0.000 2.211 263 K HA -0.051 4.269 4.320 -0.000 0.000 0.203 263 K C 2.145 178.731 176.600 -0.023 0.000 1.050 263 K CA 1.049 57.302 56.287 -0.056 0.000 0.945 263 K CB -0.044 32.438 32.500 -0.031 0.000 0.732 263 K HN 0.127 nan 8.250 nan 0.000 0.451 264 A N 0.833 123.579 122.820 -0.123 0.000 1.968 264 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 264 A C 1.598 179.209 177.584 0.045 0.000 1.169 264 A CA 0.930 52.935 52.037 -0.053 0.000 0.638 264 A CB -0.434 18.441 19.000 -0.210 0.000 0.812 264 A HN 0.153 nan 8.150 nan 0.000 0.446 265 F N 0.091 120.053 119.950 0.020 0.000 2.604 265 F HA 0.060 4.587 4.527 -0.000 0.000 0.298 265 F C 1.910 177.673 175.800 -0.062 0.000 1.131 265 F CA 0.939 58.933 58.000 -0.010 0.000 1.457 265 F CB -0.465 38.520 39.000 -0.024 0.000 1.095 265 F HN 0.157 nan 8.300 nan 0.000 0.574 266 K N -0.961 119.447 120.400 0.013 0.000 2.362 266 K HA -0.108 4.212 4.320 -0.000 0.000 0.200 266 K C 0.361 176.668 176.600 -0.489 0.000 1.046 266 K CA 1.154 57.278 56.287 -0.272 0.000 0.952 266 K CB -0.009 32.228 32.500 -0.438 0.000 0.753 266 K HN 0.237 nan 8.250 nan 0.000 0.466 267 Y N -1.600 118.747 120.300 0.079 0.000 2.915 267 Y HA 0.370 4.920 4.550 -0.000 0.000 0.244 267 Y C -0.229 175.716 175.900 0.075 0.000 1.600 267 Y CA -0.983 57.152 58.100 0.059 0.000 1.161 267 Y CB 0.150 38.632 38.460 0.037 0.000 1.151 267 Y HN -0.368 nan 8.280 nan 0.000 0.603 268 R N 1.128 121.804 120.500 0.294 0.000 2.247 268 R HA 0.567 4.907 4.340 -0.000 0.000 0.329 268 R C -2.338 174.100 176.300 0.230 0.000 1.014 268 R CA -0.319 55.887 56.100 0.177 0.000 0.907 268 R CB 0.300 30.658 30.300 0.098 0.000 1.146 268 R HN 0.298 nan 8.270 nan 0.000 0.499 269 V N 5.413 125.427 119.914 0.166 0.000 2.462 269 V HA 0.188 4.308 4.120 -0.000 0.000 0.288 269 V C 0.276 176.346 176.094 -0.039 0.000 1.020 269 V CA -0.681 61.677 62.300 0.096 0.000 0.857 269 V CB 1.679 33.650 31.823 0.247 0.000 1.013 269 V HN 0.787 nan 8.190 nan 0.000 0.431 270 D N 3.327 123.621 120.400 -0.177 0.000 2.144 270 D HA 0.103 4.743 4.640 -0.000 0.000 0.200 270 D C 0.732 176.941 176.300 -0.152 0.000 0.978 270 D CA 1.662 55.429 54.000 -0.388 0.000 0.833 270 D CB 0.742 41.044 40.800 -0.830 0.000 0.961 270 D HN 0.704 nan 8.370 nan 0.000 0.470 271 A N -0.236 122.541 122.820 -0.071 0.000 2.590 271 A HA 0.449 4.769 4.320 -0.000 0.000 0.296 271 A C -1.282 176.220 177.584 -0.137 0.000 1.050 271 A CA -0.651 51.395 52.037 0.016 0.000 0.697 271 A CB 1.214 20.392 19.000 0.296 0.000 1.277 271 A HN -0.096 nan 8.150 nan 0.000 0.411 272 V N 0.911 120.625 119.914 -0.333 0.000 2.667 272 V HA 0.734 4.854 4.120 -0.000 0.000 0.308 272 V C -0.346 175.450 176.094 -0.496 0.000 1.048 272 V CA -0.625 61.365 62.300 -0.517 0.000 0.928 272 V CB 1.786 33.051 31.823 -0.929 0.000 1.004 272 V HN 0.840 nan 8.190 nan 0.000 0.444 273 V N 2.576 122.335 119.914 -0.259 0.000 2.588 273 V HA 0.697 4.817 4.120 -0.000 0.000 0.304 273 V C -0.210 175.894 176.094 0.017 0.000 1.042 273 V CA -0.178 62.077 62.300 -0.074 0.000 0.877 273 V CB 2.020 33.833 31.823 -0.017 0.000 0.996 273 V HN 0.938 nan 8.190 nan 0.000 0.425 274 S N 1.699 117.502 115.700 0.172 0.000 2.595 274 S HA 0.580 5.050 4.470 -0.000 0.000 0.281 274 S C -0.372 174.336 174.600 0.180 0.000 1.117 274 S CA -0.590 57.734 58.200 0.207 0.000 0.873 274 S CB 2.033 65.469 63.200 0.393 0.000 1.108 274 S HN 0.927 nan 8.310 nan 0.000 0.477 275 S N 0.952 116.740 115.700 0.146 0.000 2.513 275 S HA 0.271 4.741 4.470 -0.000 0.000 0.276 275 S C 1.138 175.816 174.600 0.130 0.000 1.254 275 S CA -0.054 58.219 58.200 0.122 0.000 1.053 275 S CB 0.771 64.035 63.200 0.107 0.000 0.958 275 S HN 0.785 nan 8.310 nan 0.000 0.491 276 S N 2.455 118.215 115.700 0.099 0.000 2.527 276 S HA -0.059 4.411 4.470 -0.000 0.000 0.222 276 S C 1.196 175.828 174.600 0.054 0.000 0.985 276 S CA 0.550 58.791 58.200 0.069 0.000 0.921 276 S CB -0.354 62.870 63.200 0.040 0.000 0.772 276 S HN 0.897 nan 8.310 nan 0.000 0.529 277 D N 2.031 122.468 120.400 0.061 0.000 2.149 277 D HA -0.067 4.573 4.640 -0.000 0.000 0.206 277 D C 1.601 177.938 176.300 0.061 0.000 0.967 277 D CA 0.651 54.681 54.000 0.051 0.000 0.848 277 D CB -0.431 40.397 40.800 0.048 0.000 0.998 277 D HN 0.378 nan 8.370 nan 0.000 0.474 278 K N 0.085 120.534 120.400 0.080 0.000 2.283 278 K HA 0.017 4.337 4.320 -0.000 0.000 0.202 278 K C 1.485 178.158 176.600 0.122 0.000 1.048 278 K CA 0.781 57.118 56.287 0.084 0.000 0.948 278 K CB 0.117 32.684 32.500 0.112 0.000 0.742 278 K HN 0.145 nan 8.250 nan 0.000 0.458 279 N N -0.229 118.562 118.700 0.153 0.000 2.397 279 N HA 0.081 4.821 4.740 -0.000 0.000 0.190 279 N C 0.907 176.549 175.510 0.221 0.000 1.099 279 N CA 0.490 53.672 53.050 0.219 0.000 0.876 279 N CB 0.759 39.399 38.487 0.255 0.000 1.143 279 N HN 0.072 nan 8.380 nan 0.000 0.468 280 L N 1.334 122.621 121.223 0.106 0.000 3.014 280 L HA 0.375 4.715 4.340 -0.000 0.000 0.263 280 L C -0.070 176.818 176.870 0.030 0.000 1.207 280 L CA -0.048 54.813 54.840 0.035 0.000 1.017 280 L CB 0.194 42.192 42.059 -0.102 0.000 1.360 280 L HN -0.036 nan 8.230 nan 0.000 0.560 281 L N -0.100 121.154 121.223 0.051 0.000 3.833 281 L HA -0.257 4.083 4.340 -0.000 0.000 0.447 281 L C 0.304 177.181 176.870 0.013 0.000 1.213 281 L CA 0.319 55.177 54.840 0.029 0.000 0.801 281 L CB -2.174 39.900 42.059 0.025 0.000 1.676 281 L HN 0.309 nan 8.230 nan 0.000 0.883 282 T N 0.094 114.656 114.554 0.013 0.000 2.944 282 T HA 0.575 4.925 4.350 -0.000 0.000 0.284 282 T C -2.013 172.696 174.700 0.015 0.000 1.010 282 T CA -1.190 60.913 62.100 0.005 0.000 1.025 282 T CB 1.755 70.623 68.868 -0.000 0.000 1.079 282 T HN 0.128 nan 8.240 nan 0.000 0.516 283 P HA 0.298 nan 4.420 nan 0.000 0.274 283 P C -0.391 176.924 177.300 0.026 0.000 1.237 283 P CA -0.559 62.553 63.100 0.020 0.000 0.793 283 P CB 0.352 32.062 31.700 0.018 0.000 0.977 284 I N 0.572 121.161 120.570 0.032 0.000 2.815 284 I HA 0.184 4.354 4.170 -0.000 0.000 0.291 284 I C 1.758 177.896 176.117 0.035 0.000 1.209 284 I CA 2.035 63.358 61.300 0.039 0.000 1.431 284 I CB -0.789 37.238 38.000 0.044 0.000 1.351 284 I HN 0.806 nan 8.210 nan 0.000 0.585 285 G N 3.191 112.014 108.800 0.039 0.000 2.425 285 G HA2 0.002 3.962 3.960 -0.000 0.000 0.177 285 G HA3 0.002 3.962 3.960 -0.000 0.000 0.177 285 G C 0.206 175.127 174.900 0.034 0.000 0.999 285 G CA -0.354 44.767 45.100 0.035 0.000 0.723 285 G HN 1.082 nan 8.290 nan 0.000 0.491 286 G N -0.559 108.262 108.800 0.036 0.000 2.498 286 G HA2 0.825 4.785 3.960 -0.000 0.000 0.312 286 G HA3 0.825 4.785 3.960 -0.000 0.000 0.312 286 G C -0.015 174.921 174.900 0.059 0.000 1.230 286 G CA 0.126 45.248 45.100 0.037 0.000 0.968 286 G HN 1.135 nan 8.290 nan 0.000 0.481 287 G N -1.077 107.766 108.800 0.073 0.000 2.600 287 G HA2 0.667 4.627 3.960 -0.000 0.000 0.303 287 G HA3 0.667 4.627 3.960 -0.000 0.000 0.303 287 G C -1.261 173.725 174.900 0.143 0.000 1.253 287 G CA -0.821 44.342 45.100 0.104 0.000 0.974 287 G HN 0.657 nan 8.290 nan 0.000 0.483 288 L N 0.570 121.916 121.223 0.205 0.000 2.439 288 L HA 0.492 4.832 4.340 -0.000 0.000 0.270 288 L C -0.876 176.218 176.870 0.373 0.000 0.972 288 L CA -0.925 54.104 54.840 0.315 0.000 0.836 288 L CB 2.203 44.501 42.059 0.398 0.000 1.255 288 L HN 0.194 nan 8.230 nan 0.000 0.404 289 V N 3.529 123.642 119.914 0.332 0.000 2.495 289 V HA 0.587 4.707 4.120 -0.000 0.000 0.298 289 V C -0.926 175.357 176.094 0.315 0.000 1.031 289 V CA -0.604 61.826 62.300 0.217 0.000 0.871 289 V CB 1.560 33.456 31.823 0.123 0.000 0.988 289 V HN 0.654 nan 8.190 nan 0.000 0.432 290 Y N 1.931 122.247 120.300 0.027 0.000 2.597 290 Y HA 0.900 5.450 4.550 -0.000 0.000 0.340 290 Y C -0.402 175.435 175.900 -0.105 0.000 1.097 290 Y CA -0.872 57.179 58.100 -0.082 0.000 1.037 290 Y CB 2.057 40.309 38.460 -0.348 0.000 1.305 290 Y HN 0.646 nan 8.280 nan 0.000 0.463 291 S N -0.400 115.285 115.700 -0.025 0.000 2.611 291 S HA 0.265 4.735 4.470 -0.000 0.000 0.270 291 S C 0.049 174.547 174.600 -0.169 0.000 1.131 291 S CA -0.173 57.923 58.200 -0.174 0.000 0.826 291 S CB 0.819 64.027 63.200 0.013 0.000 1.095 291 S HN 1.388 nan 8.310 nan 0.000 0.461 292 T N -0.818 113.564 114.554 -0.286 0.000 3.113 292 T HA 0.180 4.530 4.350 -0.000 0.000 0.256 292 T C 0.211 174.981 174.700 0.117 0.000 1.131 292 T CA 0.783 62.804 62.100 -0.131 0.000 1.074 292 T CB -0.423 68.319 68.868 -0.210 0.000 0.944 292 T HN 0.514 nan 8.240 nan 0.000 0.516 293 D N 1.002 121.458 120.400 0.095 0.000 2.443 293 D HA 0.594 5.234 4.640 -0.000 0.000 0.221 293 D C 1.125 177.451 176.300 0.043 0.000 1.097 293 D CA -0.373 53.683 54.000 0.094 0.000 0.865 293 D CB 1.163 42.029 40.800 0.111 0.000 1.034 293 D HN 0.145 nan 8.370 nan 0.000 0.511 294 A N 4.023 126.728 122.820 -0.192 0.000 1.972 294 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 294 A C 1.882 179.375 177.584 -0.151 0.000 1.169 294 A CA 1.116 52.902 52.037 -0.418 0.000 0.635 294 A CB -0.290 18.253 19.000 -0.762 0.000 0.810 294 A HN 0.676 nan 8.150 nan 0.000 0.446 295 E N -1.554 118.613 120.200 -0.055 0.000 2.110 295 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 295 E C 1.637 178.267 176.600 0.051 0.000 0.988 295 E CA 1.180 57.578 56.400 -0.004 0.000 0.804 295 E CB -0.204 29.517 29.700 0.034 0.000 0.745 295 E HN 0.680 nan 8.360 nan 0.000 0.458 296 F N 0.904 120.836 119.950 -0.029 0.000 2.325 296 F HA -0.123 4.404 4.527 -0.000 0.000 0.299 296 F C 1.847 177.641 175.800 -0.010 0.000 1.090 296 F CA 0.620 58.620 58.000 -0.001 0.000 1.392 296 F CB 0.135 39.171 39.000 0.060 0.000 1.053 296 F HN -0.018 nan 8.300 nan 0.000 0.521 297 I N 0.276 120.818 120.570 -0.047 0.000 2.315 297 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 297 I C 2.184 178.206 176.117 -0.158 0.000 1.117 297 I CA 1.250 62.487 61.300 -0.105 0.000 1.404 297 I CB -1.205 36.783 38.000 -0.020 0.000 1.071 297 I HN 0.151 nan 8.210 nan 0.000 0.419 298 K N 0.448 120.766 120.400 -0.136 0.000 2.057 298 K HA -0.240 4.080 4.320 -0.000 0.000 0.207 298 K C 2.033 178.539 176.600 -0.156 0.000 1.049 298 K CA 1.458 57.669 56.287 -0.127 0.000 0.931 298 K CB -0.116 32.324 32.500 -0.100 0.000 0.714 298 K HN 0.107 nan 8.250 nan 0.000 0.440 299 E N 1.356 121.426 120.200 -0.218 0.000 2.085 299 E HA -0.146 4.204 4.350 -0.000 0.000 0.194 299 E C 1.743 178.174 176.600 -0.282 0.000 0.994 299 E CA 1.178 57.426 56.400 -0.253 0.000 0.801 299 E CB -0.148 29.357 29.700 -0.326 0.000 0.743 299 E HN 0.239 nan 8.360 nan 0.000 0.453 300 I N -0.191 120.136 120.570 -0.405 0.000 2.179 300 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 300 I C 2.505 178.556 176.117 -0.110 0.000 1.088 300 I CA 1.320 62.450 61.300 -0.283 0.000 1.357 300 I CB -0.463 37.362 38.000 -0.292 0.000 1.051 300 I HN 0.123 nan 8.210 nan 0.000 0.409 301 S N 0.920 116.557 115.700 -0.105 0.000 2.383 301 S HA -0.119 4.351 4.470 -0.000 0.000 0.229 301 S C 1.786 176.378 174.600 -0.013 0.000 1.030 301 S CA 1.254 59.425 58.200 -0.048 0.000 1.002 301 S CB -0.302 62.849 63.200 -0.082 0.000 0.829 301 S HN 0.372 nan 8.310 nan 0.000 0.467 302 L N 1.095 122.293 121.223 -0.041 0.000 2.645 302 L HA 0.211 4.551 4.340 -0.000 0.000 0.235 302 L C 1.575 178.453 176.870 0.012 0.000 1.150 302 L CA 0.044 54.876 54.840 -0.014 0.000 0.911 302 L CB 0.023 42.058 42.059 -0.039 0.000 1.077 302 L HN 0.248 nan 8.230 nan 0.000 0.438 303 S N -1.770 113.948 115.700 0.030 0.000 2.511 303 S HA 0.047 4.517 4.470 -0.000 0.000 0.214 303 S C 0.341 175.006 174.600 0.108 0.000 0.997 303 S CA -0.295 57.934 58.200 0.049 0.000 0.908 303 S CB 0.075 63.288 63.200 0.022 0.000 0.803 303 S HN 0.306 nan 8.310 nan 0.000 0.504 304 Y N 5.194 125.503 120.300 0.015 0.000 2.393 304 Y HA 0.269 4.819 4.550 -0.000 0.000 0.338 304 Y C -2.474 173.449 175.900 0.038 0.000 1.029 304 Y CA -2.393 55.727 58.100 0.034 0.000 1.239 304 Y CB 0.644 39.123 38.460 0.032 0.000 1.170 304 Y HN 0.068 nan 8.280 nan 0.000 0.515 305 P HA 0.286 nan 4.420 nan 0.000 0.281 305 P C 0.225 177.633 177.300 0.181 0.000 1.252 305 P CA 0.595 63.729 63.100 0.056 0.000 0.778 305 P CB 1.223 32.907 31.700 -0.027 0.000 0.895 306 G N 3.751 112.667 108.800 0.193 0.000 2.693 306 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.226 306 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.226 306 G C -0.763 174.282 174.900 0.241 0.000 1.354 306 G CA -0.709 44.508 45.100 0.195 0.000 0.873 306 G HN 0.696 nan 8.290 nan 0.000 0.562 307 R N -0.190 120.414 120.500 0.172 0.000 2.643 307 R HA 0.752 5.092 4.340 -0.000 0.000 0.272 307 R C 0.416 176.775 176.300 0.098 0.000 0.995 307 R CA -0.019 56.140 56.100 0.098 0.000 1.032 307 R CB 1.650 31.998 30.300 0.079 0.000 1.126 307 R HN 1.238 nan 8.270 nan 0.000 0.505 308 A N 0.676 123.476 122.820 -0.033 0.000 2.430 308 A HA 0.482 4.802 4.320 -0.000 0.000 0.300 308 A C -0.508 177.048 177.584 -0.047 0.000 1.124 308 A CA -0.672 51.335 52.037 -0.049 0.000 0.766 308 A CB 1.736 20.559 19.000 -0.294 0.000 1.328 308 A HN 0.595 nan 8.150 nan 0.000 0.424 309 S N -0.291 115.399 115.700 -0.017 0.000 2.568 309 S HA 0.349 4.819 4.470 -0.000 0.000 0.282 309 S C 1.191 175.748 174.600 -0.072 0.000 1.338 309 S CA 0.246 58.437 58.200 -0.016 0.000 1.045 309 S CB 0.769 63.974 63.200 0.008 0.000 0.873 309 S HN 1.675 nan 8.310 nan 0.000 0.516 310 A N 3.871 126.664 122.820 -0.044 0.000 2.030 310 A HA 0.125 4.445 4.320 -0.000 0.000 0.215 310 A C 2.106 179.646 177.584 -0.073 0.000 1.164 310 A CA 1.130 53.102 52.037 -0.109 0.000 0.697 310 A CB -1.154 17.826 19.000 -0.033 0.000 0.827 310 A HN 0.870 nan 8.150 nan 0.000 0.457 311 T N 1.490 116.045 114.554 0.001 0.000 2.685 311 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 311 T C -0.262 174.428 174.700 -0.017 0.000 1.034 311 T CA 2.123 64.233 62.100 0.016 0.000 1.149 311 T CB -1.233 67.654 68.868 0.032 0.000 0.860 311 T HN 0.391 nan 8.240 nan 0.000 0.449 312 P HA 0.027 nan 4.420 nan 0.000 0.217 312 P C 1.644 178.903 177.300 -0.068 0.000 1.150 312 P CA 0.473 63.550 63.100 -0.037 0.000 0.832 312 P CB -0.150 31.532 31.700 -0.031 0.000 0.787 313 V N -0.655 119.175 119.914 -0.140 0.000 2.548 313 V HA -0.153 3.967 4.120 -0.000 0.000 0.249 313 V C 2.362 178.380 176.094 -0.128 0.000 1.055 313 V CA 1.509 63.692 62.300 -0.194 0.000 1.065 313 V CB -0.987 30.560 31.823 -0.460 0.000 0.681 313 V HN -0.036 nan 8.190 nan 0.000 0.462 314 V N 0.468 120.329 119.914 -0.087 0.000 2.515 314 V HA -0.194 3.926 4.120 -0.000 0.000 0.250 314 V C 2.317 178.414 176.094 0.005 0.000 1.058 314 V CA 1.747 64.045 62.300 -0.004 0.000 1.064 314 V CB -0.807 31.074 31.823 0.097 0.000 0.675 314 V HN 0.558 nan 8.190 nan 0.000 0.461 315 N N 0.209 118.903 118.700 -0.009 0.000 2.120 315 N HA -0.139 4.601 4.740 -0.000 0.000 0.188 315 N C 1.946 177.436 175.510 -0.033 0.000 1.024 315 N CA 1.977 55.020 53.050 -0.011 0.000 0.852 315 N CB -0.415 38.068 38.487 -0.007 0.000 1.003 315 N HN 0.438 nan 8.380 nan 0.000 0.424 316 T N 1.870 116.397 114.554 -0.046 0.000 2.737 316 T HA -0.087 4.263 4.350 -0.000 0.000 0.265 316 T C 1.973 176.617 174.700 -0.094 0.000 1.038 316 T CA 0.504 62.561 62.100 -0.073 0.000 1.144 316 T CB -0.345 68.488 68.868 -0.059 0.000 0.866 316 T HN 0.064 nan 8.240 nan 0.000 0.434 317 L N 1.591 122.778 121.223 -0.059 0.000 1.990 317 L HA -0.093 4.247 4.340 -0.000 0.000 0.213 317 L C 2.481 179.313 176.870 -0.064 0.000 1.072 317 L CA 1.661 56.472 54.840 -0.048 0.000 0.755 317 L CB -0.973 41.100 42.059 0.023 0.000 0.889 317 L HN 0.093 nan 8.230 nan 0.000 0.432 318 V N -0.755 119.142 119.914 -0.029 0.000 2.380 318 V HA -0.327 3.792 4.120 -0.000 0.000 0.251 318 V C 2.587 178.638 176.094 -0.071 0.000 1.063 318 V CA 1.956 64.236 62.300 -0.032 0.000 1.055 318 V CB -0.944 30.877 31.823 -0.004 0.000 0.657 318 V HN 0.535 nan 8.190 nan 0.000 0.455 319 S N -0.093 115.555 115.700 -0.088 0.000 2.368 319 S HA -0.080 4.390 4.470 -0.000 0.000 0.225 319 S C 1.875 176.374 174.600 -0.169 0.000 1.030 319 S CA 1.432 59.565 58.200 -0.110 0.000 0.999 319 S CB -0.318 62.811 63.200 -0.118 0.000 0.844 319 S HN 0.493 nan 8.310 nan 0.000 0.459 320 L N 0.949 122.035 121.223 -0.228 0.000 2.056 320 L HA -0.043 4.297 4.340 -0.000 0.000 0.207 320 L C 2.161 178.910 176.870 -0.202 0.000 1.078 320 L CA 0.995 55.660 54.840 -0.291 0.000 0.749 320 L CB -0.521 41.351 42.059 -0.311 0.000 0.901 320 L HN 0.283 nan 8.230 nan 0.000 0.433 321 L N -1.474 119.643 121.223 -0.177 0.000 2.131 321 L HA -0.040 4.300 4.340 -0.000 0.000 0.206 321 L C 1.814 178.606 176.870 -0.130 0.000 1.087 321 L CA 0.113 54.846 54.840 -0.179 0.000 0.767 321 L CB -0.319 41.602 42.059 -0.230 0.000 0.917 321 L HN 0.154 nan 8.230 nan 0.000 0.441 325 S N -0.381 115.364 115.700 0.074 0.000 2.425 325 S HA 0.004 4.474 4.470 -0.000 0.000 0.225 325 S C 1.924 176.607 174.600 0.138 0.000 1.024 325 S CA 1.432 59.714 58.200 0.137 0.000 0.951 325 S CB -0.047 63.209 63.200 0.093 0.000 0.796 325 S HN 0.582 nan 8.310 nan 0.000 0.498 326 K N 1.604 122.053 120.400 0.082 0.000 2.002 326 K HA -0.071 4.249 4.320 -0.000 0.000 0.209 326 K C 1.796 178.441 176.600 0.075 0.000 1.048 326 K CA 1.586 57.912 56.287 0.065 0.000 0.930 326 K CB -0.227 32.295 32.500 0.036 0.000 0.714 326 K HN 0.270 nan 8.250 nan 0.000 0.438 327 N N -0.082 118.663 118.700 0.075 0.000 2.188 327 N HA -0.182 4.558 4.740 -0.000 0.000 0.184 327 N C 1.580 177.140 175.510 0.082 0.000 1.018 327 N CA 0.983 54.069 53.050 0.060 0.000 0.858 327 N CB -0.397 38.117 38.487 0.046 0.000 0.989 327 N HN 0.261 nan 8.380 nan 0.000 0.426 328 Y N 1.585 121.913 120.300 0.045 0.000 2.224 328 Y HA -0.061 4.489 4.550 -0.000 0.000 0.289 328 Y C 2.130 178.076 175.900 0.076 0.000 1.146 328 Y CA 1.230 59.379 58.100 0.082 0.000 1.182 328 Y CB -0.224 38.343 38.460 0.179 0.000 0.983 328 Y HN -0.003 nan 8.280 nan 0.000 0.524 329 L N -0.302 121.013 121.223 0.153 0.000 2.141 329 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 329 L C 2.319 179.187 176.870 -0.003 0.000 1.094 329 L CA 1.746 56.631 54.840 0.075 0.000 0.763 329 L CB -0.472 41.638 42.059 0.085 0.000 0.908 329 L HN 0.214 nan 8.230 nan 0.000 0.437 330 E N 0.546 120.741 120.200 -0.008 0.000 2.274 330 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 330 E C 2.205 178.768 176.600 -0.062 0.000 0.996 330 E CA 0.655 57.041 56.400 -0.024 0.000 0.840 330 E CB 0.067 29.761 29.700 -0.011 0.000 0.772 330 E HN 0.438 nan 8.360 nan 0.000 0.491 331 L N -0.362 120.786 121.223 -0.124 0.000 2.095 331 L HA -0.069 4.271 4.340 -0.000 0.000 0.204 331 L C 2.278 179.047 176.870 -0.168 0.000 1.080 331 L CA 0.467 55.204 54.840 -0.171 0.000 0.759 331 L CB -0.133 41.749 42.059 -0.295 0.000 0.914 331 L HN 0.110 nan 8.230 nan 0.000 0.439 332 V N 0.034 119.830 119.914 -0.198 0.000 2.515 332 V HA -0.253 3.867 4.120 -0.000 0.000 0.250 332 V C 2.293 178.361 176.094 -0.043 0.000 1.058 332 V CA 1.654 63.887 62.300 -0.111 0.000 1.064 332 V CB -0.474 31.311 31.823 -0.063 0.000 0.675 332 V HN 0.417 nan 8.190 nan 0.000 0.461 333 K N -0.155 120.222 120.400 -0.037 0.000 2.243 333 K HA -0.011 4.309 4.320 -0.000 0.000 0.201 333 K C 1.930 178.518 176.600 -0.020 0.000 1.051 333 K CA 0.749 57.026 56.287 -0.017 0.000 0.970 333 K CB -0.145 32.349 32.500 -0.010 0.000 0.755 333 K HN 0.386 nan 8.250 nan 0.000 0.465 334 N N 1.507 120.188 118.700 -0.031 0.000 2.270 334 N HA -0.165 4.575 4.740 -0.000 0.000 0.181 334 N C 1.865 177.363 175.510 -0.020 0.000 1.016 334 N CA 1.233 54.268 53.050 -0.025 0.000 0.870 334 N CB -0.014 38.454 38.487 -0.031 0.000 0.979 334 N HN 0.294 nan 8.380 nan 0.000 0.431 335 Q N 1.708 121.494 119.800 -0.024 0.000 2.167 335 Q HA -0.035 4.305 4.340 -0.000 0.000 0.202 335 Q C 1.459 177.459 176.000 0.000 0.000 0.970 335 Q CA 1.554 57.351 55.803 -0.011 0.000 0.855 335 Q CB -0.183 28.550 28.738 -0.008 0.000 0.911 335 Q HN 0.180 nan 8.270 nan 0.000 0.438 336 K N 0.377 120.777 120.400 -0.000 0.000 2.057 336 K HA -0.071 4.249 4.320 -0.000 0.000 0.207 336 K C 1.912 178.511 176.600 -0.002 0.000 1.049 336 K CA 1.547 57.835 56.287 0.002 0.000 0.931 336 K CB -0.219 32.283 32.500 0.002 0.000 0.714 336 K HN 0.430 nan 8.250 nan 0.000 0.440 337 N N 0.155 118.852 118.700 -0.005 0.000 2.309 337 N HA -0.069 4.671 4.740 -0.000 0.000 0.182 337 N C 1.482 176.989 175.510 -0.004 0.000 1.018 337 N CA 0.600 53.646 53.050 -0.006 0.000 0.876 337 N CB 0.133 38.615 38.487 -0.008 0.000 0.972 337 N HN 0.028 nan 8.380 nan 0.000 0.434 338 S N 0.324 116.022 115.700 -0.002 0.000 2.446 338 S HA -0.011 4.459 4.470 -0.000 0.000 0.225 338 S C 1.713 176.319 174.600 0.011 0.000 1.016 338 S CA 0.648 58.849 58.200 0.002 0.000 0.943 338 S CB 0.095 63.295 63.200 -0.000 0.000 0.786 338 S HN 0.181 nan 8.310 nan 0.000 0.508 339 K N 2.379 122.787 120.400 0.013 0.000 2.025 339 K HA 0.046 4.366 4.320 -0.000 0.000 0.207 339 K C 1.751 178.366 176.600 0.025 0.000 1.049 339 K CA 1.505 57.806 56.287 0.025 0.000 0.933 339 K CB -0.232 32.280 32.500 0.020 0.000 0.714 339 K HN 0.143 nan 8.250 nan 0.000 0.438 340 K N 0.316 120.720 120.400 0.007 0.000 2.147 340 K HA -0.075 4.245 4.320 -0.000 0.000 0.205 340 K C 1.866 178.457 176.600 -0.014 0.000 1.049 340 K CA 0.895 57.178 56.287 -0.007 0.000 0.936 340 K CB -0.200 32.290 32.500 -0.016 0.000 0.722 340 K HN 0.169 nan 8.250 nan 0.000 0.446 341 L N 1.587 122.806 121.223 -0.006 0.000 2.156 341 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 341 L C 1.958 178.829 176.870 0.001 0.000 1.095 341 L CA 1.157 55.992 54.840 -0.008 0.000 0.770 341 L CB -0.453 41.603 42.059 -0.004 0.000 0.914 341 L HN 0.272 nan 8.230 nan 0.000 0.439 342 L N -0.491 120.745 121.223 0.022 0.000 2.027 342 L HA -0.214 4.126 4.340 -0.000 0.000 0.206 342 L C 2.233 179.145 176.870 0.070 0.000 1.074 342 L CA 1.587 56.458 54.840 0.052 0.000 0.745 342 L CB -0.343 41.759 42.059 0.071 0.000 0.898 342 L HN 0.274 nan 8.230 nan 0.000 0.433 343 D N 0.238 120.672 120.400 0.057 0.000 2.095 343 D HA -0.263 4.377 4.640 -0.000 0.000 0.192 343 D C 1.916 178.071 176.300 -0.242 0.000 0.990 343 D CA 1.900 55.883 54.000 -0.028 0.000 0.836 343 D CB -0.453 40.326 40.800 -0.035 0.000 0.979 343 D HN 0.571 nan 8.370 nan 0.000 0.447 344 E N 0.950 121.042 120.200 -0.181 0.000 2.147 344 E HA -0.202 4.148 4.350 -0.000 0.000 0.199 344 E C 2.425 178.947 176.600 -0.131 0.000 1.005 344 E CA 0.933 57.226 56.400 -0.178 0.000 0.810 344 E CB -0.646 28.989 29.700 -0.109 0.000 0.736 344 E HN 0.282 nan 8.360 nan 0.000 0.460 345 L N 0.383 121.564 121.223 -0.070 0.000 2.093 345 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 345 L C 2.679 179.542 176.870 -0.012 0.000 1.085 345 L CA 0.769 55.590 54.840 -0.031 0.000 0.755 345 L CB -0.222 41.835 42.059 -0.002 0.000 0.904 345 L HN 0.241 nan 8.230 nan 0.000 0.435 346 L N -0.641 120.590 121.223 0.013 0.000 2.156 346 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 346 L C 2.286 179.186 176.870 0.051 0.000 1.095 346 L CA 0.734 55.642 54.840 0.114 0.000 0.770 346 L CB -0.446 41.821 42.059 0.346 0.000 0.914 346 L HN 0.375 nan 8.230 nan 0.000 0.439 347 N N 0.099 118.674 118.700 -0.209 0.000 2.188 347 N HA -0.170 4.570 4.740 -0.000 0.000 0.184 347 N C 1.292 176.748 175.510 -0.090 0.000 1.018 347 N CA 1.263 54.160 53.050 -0.254 0.000 0.858 347 N CB -0.021 38.192 38.487 -0.456 0.000 0.989 347 N HN 0.323 nan 8.380 nan 0.000 0.426 348 D N 1.051 121.406 120.400 -0.075 0.000 2.097 348 D HA -0.142 4.498 4.640 -0.000 0.000 0.195 348 D C 1.983 178.280 176.300 -0.004 0.000 0.989 348 D CA 0.498 54.477 54.000 -0.036 0.000 0.827 348 D CB -0.435 40.346 40.800 -0.032 0.000 0.966 348 D HN 0.146 nan 8.370 nan 0.000 0.456 349 L N 0.804 122.035 121.223 0.013 0.000 2.265 349 L HA -0.105 4.235 4.340 -0.000 0.000 0.215 349 L C 2.170 179.067 176.870 0.046 0.000 1.117 349 L CA 1.180 56.040 54.840 0.033 0.000 0.782 349 L CB -0.659 41.428 42.059 0.047 0.000 0.914 349 L HN -0.106 nan 8.230 nan 0.000 0.441 350 S N -0.789 114.944 115.700 0.055 0.000 2.356 350 S HA -0.181 4.289 4.470 -0.000 0.000 0.223 350 S C 2.058 176.686 174.600 0.046 0.000 1.032 350 S CA 1.270 59.512 58.200 0.071 0.000 1.005 350 S CB -0.176 63.079 63.200 0.092 0.000 0.867 350 S HN 0.459 nan 8.310 nan 0.000 0.449 351 K N 0.931 121.347 120.400 0.027 0.000 2.155 351 K HA 0.104 4.424 4.320 -0.000 0.000 0.203 351 K C 2.003 178.615 176.600 0.020 0.000 1.052 351 K CA 0.837 57.136 56.287 0.020 0.000 0.948 351 K CB -0.534 31.970 32.500 0.007 0.000 0.728 351 K HN 0.222 nan 8.250 nan 0.000 0.448 352 K N 0.826 121.238 120.400 0.020 0.000 2.228 352 K HA -0.100 4.220 4.320 -0.000 0.000 0.205 352 K C 1.411 178.025 176.600 0.023 0.000 1.045 352 K CA 1.215 57.514 56.287 0.019 0.000 0.931 352 K CB -0.173 32.339 32.500 0.020 0.000 0.727 352 K HN 0.503 nan 8.250 nan 0.000 0.458 353 T N -6.361 108.211 114.554 0.030 0.000 2.647 353 T HA 0.476 4.825 4.350 -0.000 0.000 0.295 353 T C 1.349 176.072 174.700 0.038 0.000 1.126 353 T CA -0.369 61.750 62.100 0.032 0.000 1.040 353 T CB 0.806 69.695 68.868 0.035 0.000 1.472 353 T HN -0.014 nan 8.240 nan 0.000 0.500 354 G N 0.878 109.702 108.800 0.041 0.000 2.721 354 G HA2 0.211 4.171 3.960 -0.000 0.000 0.218 354 G HA3 0.211 4.171 3.960 -0.000 0.000 0.218 354 G C 1.219 176.153 174.900 0.056 0.000 1.265 354 G CA 0.904 46.032 45.100 0.047 0.000 0.796 354 G HN 1.787 nan 8.290 nan 0.000 0.620 355 G N -0.253 108.585 108.800 0.063 0.000 2.987 355 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.271 355 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.271 355 G C 0.019 174.959 174.900 0.067 0.000 0.332 355 G CA 0.817 45.959 45.100 0.069 0.000 1.198 355 G HN 0.747 nan 8.290 nan 0.000 0.223 356 K N 1.396 121.822 120.400 0.043 0.000 2.270 356 K HA 0.528 4.848 4.320 -0.000 0.000 0.255 356 K C -0.894 175.720 176.600 0.024 0.000 0.936 356 K CA -1.068 55.236 56.287 0.028 0.000 0.809 356 K CB 1.014 33.498 32.500 -0.027 0.000 1.131 356 K HN 0.300 nan 8.250 nan 0.000 0.427 357 F N 6.534 126.452 119.950 -0.052 0.000 2.439 357 F HA 0.246 4.773 4.527 -0.000 0.000 0.356 357 F C -0.331 175.423 175.800 -0.076 0.000 1.161 357 F CA -0.601 57.370 58.000 -0.049 0.000 1.151 357 F CB 0.147 39.130 39.000 -0.028 0.000 1.222 357 F HN 0.368 nan 8.300 nan 0.000 0.558 358 L N 4.544 125.488 121.223 -0.464 0.000 2.485 358 L HA 0.020 4.360 4.340 -0.000 0.000 0.275 358 L C 0.150 176.811 176.870 -0.348 0.000 1.207 358 L CA -0.035 54.578 54.840 -0.380 0.000 0.855 358 L CB 0.208 42.031 42.059 -0.393 0.000 1.114 358 L HN 0.507 nan 8.230 nan 0.000 0.485 359 D N 3.151 123.462 120.400 -0.149 0.000 2.468 359 D HA 0.372 5.012 4.640 -0.000 0.000 0.218 359 D C -0.510 175.746 176.300 -0.073 0.000 1.155 359 D CA -0.365 53.591 54.000 -0.073 0.000 0.924 359 D CB 0.644 41.442 40.800 -0.003 0.000 1.029 359 D HN 0.256 nan 8.370 nan 0.000 0.515 360 V N 0.871 120.722 119.914 -0.106 0.000 3.019 360 V HA 0.487 4.607 4.120 -0.000 0.000 0.317 360 V C 1.295 177.357 176.094 -0.054 0.000 1.094 360 V CA -0.797 61.463 62.300 -0.067 0.000 1.000 360 V CB 1.891 33.661 31.823 -0.087 0.000 1.060 360 V HN 0.445 nan 8.190 nan 0.000 0.443 361 E N 1.146 121.330 120.200 -0.026 0.000 2.072 361 E HA -0.090 4.260 4.350 -0.000 0.000 0.191 361 E C 1.297 177.822 176.600 -0.125 0.000 0.985 361 E CA 1.009 57.375 56.400 -0.057 0.000 0.801 361 E CB 0.050 29.768 29.700 0.031 0.000 0.750 361 E HN 0.872 nan 8.360 nan 0.000 0.452 362 S N 1.569 117.261 115.700 -0.013 0.000 2.931 362 S HA -0.061 4.409 4.470 -0.000 0.000 0.342 362 S C -1.553 173.003 174.600 -0.073 0.000 1.220 362 S CA -0.467 57.753 58.200 0.033 0.000 1.045 362 S CB 0.822 64.090 63.200 0.113 0.000 0.758 362 S HN 0.215 nan 8.310 nan 0.000 0.508 363 P HA 0.103 nan 4.420 nan 0.000 0.251 363 P C 0.932 178.239 177.300 0.012 0.000 1.223 363 P CA 0.305 63.312 63.100 -0.155 0.000 0.796 363 P CB 0.036 31.562 31.700 -0.291 0.000 1.068 364 I N -3.179 117.451 120.570 0.101 0.000 4.124 364 I HA 0.487 4.657 4.170 -0.000 0.000 0.311 364 I C 0.579 176.733 176.117 0.062 0.000 1.259 364 I CA -0.165 61.191 61.300 0.093 0.000 1.315 364 I CB 0.144 38.217 38.000 0.122 0.000 1.223 364 I HN -0.219 nan 8.210 nan 0.000 0.441 365 A N 0.903 123.770 122.820 0.077 0.000 2.337 365 A HA 0.881 5.201 4.320 -0.000 0.000 0.331 365 A C -0.280 177.323 177.584 0.033 0.000 1.137 365 A CA 0.154 52.227 52.037 0.061 0.000 0.807 365 A CB 0.717 19.769 19.000 0.086 0.000 1.250 365 A HN 0.501 nan 8.150 nan 0.000 0.468 366 S N -0.615 115.094 115.700 0.016 0.000 2.541 366 S HA 0.706 5.176 4.470 -0.000 0.000 0.271 366 S C -0.655 173.882 174.600 -0.105 0.000 1.133 366 S CA -0.669 57.485 58.200 -0.077 0.000 0.876 366 S CB 0.746 63.951 63.200 0.008 0.000 1.105 366 S HN 1.173 nan 8.310 nan 0.000 0.470 367 C N 2.385 121.525 119.300 -0.267 0.000 2.614 367 C HA 0.831 5.291 4.460 -0.000 0.000 0.320 367 C C -0.289 174.558 174.990 -0.238 0.000 1.200 367 C CA -0.927 57.995 59.018 -0.160 0.000 1.700 367 C CB 0.614 28.259 27.740 -0.159 0.000 2.275 367 C HN 1.005 nan 8.230 nan 0.000 0.492 368 I N 2.466 123.022 120.570 -0.024 0.000 2.478 368 I HA 0.421 4.591 4.170 -0.000 0.000 0.287 368 I C 0.259 176.425 176.117 0.082 0.000 1.042 368 I CA 0.251 61.561 61.300 0.017 0.000 1.067 368 I CB 1.663 39.728 38.000 0.108 0.000 1.233 368 I HN 0.957 nan 8.210 nan 0.000 0.431 369 S N 6.553 122.272 115.700 0.032 0.000 2.585 369 S HA 0.543 5.013 4.470 -0.000 0.000 0.273 369 S C -0.505 174.164 174.600 0.115 0.000 1.339 369 S CA -0.485 57.781 58.200 0.110 0.000 1.028 369 S CB 1.867 65.081 63.200 0.023 0.000 0.906 369 S HN 0.589 nan 8.310 nan 0.000 0.528 370 V N 1.754 121.747 119.914 0.132 0.000 3.007 370 V HA 0.427 4.547 4.120 -0.000 0.000 0.311 370 V C -0.205 175.942 176.094 0.088 0.000 1.120 370 V CA -0.944 61.412 62.300 0.093 0.000 0.980 370 V CB 2.235 34.100 31.823 0.070 0.000 1.033 370 V HN 1.018 nan 8.190 nan 0.000 0.429 371 N N 1.815 120.555 118.700 0.067 0.000 2.368 371 N HA 0.040 4.780 4.740 -0.000 0.000 0.176 371 N C 0.716 176.251 175.510 0.042 0.000 1.021 371 N CA 0.491 53.575 53.050 0.057 0.000 0.888 371 N CB 0.049 38.565 38.487 0.048 0.000 0.995 371 N HN 0.593 nan 8.380 nan 0.000 0.437 372 S N 1.062 116.783 115.700 0.034 0.000 2.634 372 S HA 0.011 4.481 4.470 -0.000 0.000 0.261 372 S C 0.136 174.746 174.600 0.016 0.000 1.271 372 S CA -0.650 57.564 58.200 0.023 0.000 0.985 372 S CB 0.897 64.108 63.200 0.019 0.000 0.968 372 S HN 0.170 nan 8.310 nan 0.000 0.568 373 D N 2.455 122.859 120.400 0.006 0.000 2.389 373 D HA 0.033 4.673 4.640 -0.000 0.000 0.263 373 D C -1.142 175.150 176.300 -0.014 0.000 1.255 373 D CA -1.578 52.419 54.000 -0.005 0.000 0.914 373 D CB 0.854 41.648 40.800 -0.009 0.000 1.116 373 D HN 0.113 nan 8.370 nan 0.000 0.502 374 P HA -0.162 nan 4.420 nan 0.000 0.218 374 P C 1.531 178.797 177.300 -0.057 0.000 1.148 374 P CA 0.538 63.606 63.100 -0.053 0.000 0.822 374 P CB 0.381 32.015 31.700 -0.111 0.000 0.784 375 V N 0.702 120.581 119.914 -0.058 0.000 2.515 375 V HA -0.153 3.967 4.120 -0.000 0.000 0.250 375 V C 2.559 178.632 176.094 -0.035 0.000 1.058 375 V CA 1.636 63.902 62.300 -0.056 0.000 1.064 375 V CB -1.193 30.595 31.823 -0.058 0.000 0.675 375 V HN 0.147 nan 8.190 nan 0.000 0.461 376 E N -0.121 120.065 120.200 -0.023 0.000 2.158 376 E HA -0.066 4.284 4.350 -0.000 0.000 0.191 376 E C 2.200 178.802 176.600 0.002 0.000 0.982 376 E CA 0.918 57.312 56.400 -0.009 0.000 0.823 376 E CB -0.034 29.663 29.700 -0.005 0.000 0.766 376 E HN 0.567 nan 8.360 nan 0.000 0.468 377 I N 0.995 121.565 120.570 -0.000 0.000 2.252 377 I HA -0.209 3.961 4.170 -0.000 0.000 0.245 377 I C 2.515 178.642 176.117 0.018 0.000 1.102 377 I CA 0.806 62.112 61.300 0.011 0.000 1.385 377 I CB -0.256 37.750 38.000 0.010 0.000 1.064 377 I HN 0.044 nan 8.210 nan 0.000 0.414 378 A N 0.720 123.543 122.820 0.004 0.000 2.019 378 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 378 A C 2.484 180.093 177.584 0.042 0.000 1.164 378 A CA 1.701 53.746 52.037 0.013 0.000 0.644 378 A CB -0.565 18.422 19.000 -0.022 0.000 0.805 378 A HN 0.440 nan 8.150 nan 0.000 0.449 379 A N -0.032 122.805 122.820 0.027 0.000 1.874 379 A HA -0.057 4.263 4.320 -0.000 0.000 0.214 379 A C 2.083 179.729 177.584 0.103 0.000 1.189 379 A CA 1.500 53.567 52.037 0.050 0.000 0.615 379 A CB -0.347 18.660 19.000 0.013 0.000 0.830 379 A HN 0.496 nan 8.150 nan 0.000 0.443 380 K N -0.184 120.255 120.400 0.064 0.000 2.057 380 K HA -0.056 4.264 4.320 -0.000 0.000 0.207 380 K C 1.835 178.473 176.600 0.064 0.000 1.049 380 K CA 1.358 57.680 56.287 0.058 0.000 0.931 380 K CB -0.429 32.092 32.500 0.035 0.000 0.714 380 K HN 0.431 nan 8.250 nan 0.000 0.440 381 L N -0.102 121.162 121.223 0.068 0.000 2.042 381 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 381 L C 2.494 179.408 176.870 0.074 0.000 1.076 381 L CA 1.279 56.154 54.840 0.059 0.000 0.749 381 L CB -0.510 41.585 42.059 0.060 0.000 0.893 381 L HN 0.187 nan 8.230 nan 0.000 0.432 382 Y N 1.250 121.548 120.300 -0.003 0.000 2.097 382 Y HA -0.316 4.234 4.550 -0.000 0.000 0.282 382 Y C 2.296 178.195 175.900 -0.002 0.000 1.152 382 Y CA 2.144 60.242 58.100 -0.003 0.000 1.136 382 Y CB -0.501 37.956 38.460 -0.006 0.000 0.975 382 Y HN 0.240 nan 8.280 nan 0.000 0.498 383 N N -0.063 118.670 118.700 0.055 0.000 2.149 383 N HA -0.184 4.556 4.740 -0.000 0.000 0.188 383 N C 1.051 176.511 175.510 -0.084 0.000 1.019 383 N CA 1.221 54.255 53.050 -0.026 0.000 0.857 383 N CB -0.324 38.191 38.487 0.046 0.000 0.997 383 N HN 0.311 nan 8.380 nan 0.000 0.426 384 L N 0.692 121.885 121.223 -0.051 0.000 2.682 384 L HA 0.190 4.530 4.340 -0.000 0.000 0.240 384 L C 0.024 176.851 176.870 -0.073 0.000 1.178 384 L CA -0.064 54.747 54.840 -0.048 0.000 0.970 384 L CB -0.063 41.986 42.059 -0.016 0.000 1.179 384 L HN 0.133 nan 8.230 nan 0.000 0.435 385 R N -0.758 119.660 120.500 -0.138 0.000 3.527 385 R HA -0.108 4.232 4.340 -0.000 0.000 0.288 385 R C -1.352 174.888 176.300 -0.100 0.000 1.146 385 R CA 0.317 56.334 56.100 -0.139 0.000 0.778 385 R CB -2.087 28.162 30.300 -0.086 0.000 1.289 385 R HN 0.103 nan 8.270 nan 0.000 0.454 386 V N 0.179 120.037 119.914 -0.093 0.000 2.531 386 V HA 0.682 4.802 4.120 -0.000 0.000 0.301 386 V C 0.427 176.538 176.094 0.029 0.000 1.034 386 V CA -0.113 62.174 62.300 -0.021 0.000 0.865 386 V CB 2.250 34.080 31.823 0.011 0.000 0.995 386 V HN 0.338 nan 8.190 nan 0.000 0.424 387 T N 0.202 114.782 114.554 0.043 0.000 2.885 387 T HA 0.774 5.124 4.350 -0.000 0.000 0.285 387 T C 0.834 175.579 174.700 0.075 0.000 1.019 387 T CA 0.186 62.346 62.100 0.100 0.000 1.010 387 T CB 1.832 70.753 68.868 0.088 0.000 1.022 387 T HN 1.774 nan 8.240 nan 0.000 0.466 388 G N 1.619 110.469 108.800 0.083 0.000 2.279 388 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.223 388 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.223 388 G C -1.593 173.339 174.900 0.053 0.000 1.015 388 G CA -0.213 44.923 45.100 0.061 0.000 0.621 388 G HN 0.959 nan 8.290 nan 0.000 0.506 389 P HA 0.500 nan 4.420 nan 0.000 0.275 389 P C -0.404 176.904 177.300 0.013 0.000 1.227 389 P CA 0.040 63.164 63.100 0.041 0.000 0.781 389 P CB 0.887 32.614 31.700 0.045 0.000 0.906 390 R N 0.895 121.395 120.500 -0.001 0.000 2.460 390 R HA 0.625 4.965 4.340 -0.000 0.000 0.303 390 R C 0.324 176.571 176.300 -0.087 0.000 0.968 390 R CA -0.552 55.512 56.100 -0.060 0.000 0.889 390 R CB 1.811 32.061 30.300 -0.083 0.000 1.123 390 R HN 0.628 nan 8.270 nan 0.000 0.455 391 G N 3.629 112.351 108.800 -0.131 0.000 2.744 391 G HA2 0.497 4.457 3.960 -0.000 0.000 0.309 391 G HA3 0.497 4.457 3.960 -0.000 0.000 0.309 391 G C -0.888 173.862 174.900 -0.250 0.000 1.328 391 G CA -0.291 44.706 45.100 -0.172 0.000 1.034 391 G HN 0.301 nan 8.290 nan 0.000 0.518 392 I N 1.395 121.684 120.570 -0.469 0.000 2.404 392 I HA 0.348 4.518 4.170 -0.000 0.000 0.293 392 I C 0.352 176.252 176.117 -0.361 0.000 0.992 392 I CA -0.724 60.315 61.300 -0.435 0.000 1.149 392 I CB 2.090 39.800 38.000 -0.482 0.000 1.315 392 I HN 0.279 nan 8.210 nan 0.000 0.446 393 K N 4.920 125.234 120.400 -0.143 0.000 2.154 393 K HA 0.220 4.540 4.320 -0.000 0.000 0.264 393 K C 0.976 177.619 176.600 0.072 0.000 1.008 393 K CA -0.587 55.676 56.287 -0.039 0.000 0.937 393 K CB 0.987 33.468 32.500 -0.031 0.000 1.002 393 K HN 0.531 nan 8.250 nan 0.000 0.469 394 K N -0.197 120.294 120.400 0.151 0.000 2.281 394 K HA -0.138 4.182 4.320 -0.000 0.000 0.203 394 K C 1.110 177.827 176.600 0.196 0.000 1.046 394 K CA 1.758 58.206 56.287 0.268 0.000 0.938 394 K CB -0.262 32.350 32.500 0.186 0.000 0.737 394 K HN 0.608 nan 8.250 nan 0.000 0.458 395 T N -1.605 112.986 114.554 0.061 0.000 3.060 395 T HA -0.028 4.322 4.350 -0.000 0.000 0.249 395 T C 0.509 175.073 174.700 -0.226 0.000 1.079 395 T CA -0.210 61.846 62.100 -0.073 0.000 1.013 395 T CB -0.021 68.791 68.868 -0.093 0.000 0.975 395 T HN 0.067 nan 8.240 nan 0.000 0.518 396 D N 2.056 122.418 120.400 -0.063 0.000 2.441 396 D HA -0.001 4.639 4.640 -0.000 0.000 0.243 396 D C 0.858 177.217 176.300 0.097 0.000 1.257 396 D CA -0.145 53.838 54.000 -0.029 0.000 1.027 396 D CB 0.023 40.829 40.800 0.009 0.000 1.084 396 D HN 0.279 nan 8.370 nan 0.000 0.514 397 H N 2.561 121.721 119.070 0.149 0.000 2.319 397 H HA -0.216 4.340 4.556 -0.000 0.000 0.297 397 H C 1.569 177.060 175.328 0.272 0.000 1.097 397 H CA 1.063 57.213 56.048 0.171 0.000 1.285 397 H CB -0.458 29.370 29.762 0.111 0.000 1.368 397 H HN 0.475 nan 8.280 nan 0.000 0.495 398 F N 0.999 121.113 119.950 0.273 0.000 2.186 398 F HA -0.021 4.506 4.527 -0.000 0.000 0.299 398 F C 2.569 178.476 175.800 0.178 0.000 1.090 398 F CA 1.362 59.513 58.000 0.250 0.000 1.307 398 F CB -0.337 38.761 39.000 0.163 0.000 1.019 398 F HN 0.159 nan 8.300 nan 0.000 0.489 399 G N -0.532 108.430 108.800 0.269 0.000 2.484 399 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.218 399 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.218 399 G C 1.326 176.278 174.900 0.087 0.000 1.130 399 G CA 0.730 45.886 45.100 0.094 0.000 0.784 399 G HN 0.325 nan 8.290 nan 0.000 0.543 400 N N -0.799 117.997 118.700 0.159 0.000 2.282 400 N HA -0.002 4.737 4.740 -0.000 0.000 0.185 400 N C 0.821 176.443 175.510 0.186 0.000 1.099 400 N CA 0.463 53.589 53.050 0.126 0.000 0.878 400 N CB 0.453 39.029 38.487 0.148 0.000 0.993 400 N HN 0.170 nan 8.380 nan 0.000 0.481 401 C N 1.621 121.064 119.300 0.238 0.000 4.454 401 C HA -0.264 4.196 4.460 -0.000 0.000 0.301 401 C C -0.903 174.328 174.990 0.402 0.000 1.366 401 C CA 0.188 59.355 59.018 0.248 0.000 2.016 401 C CB -2.781 25.047 27.740 0.147 0.000 1.253 401 C HN 0.509 nan 8.230 nan 0.000 0.770 402 Y N -0.656 119.777 120.300 0.222 0.000 2.442 402 Y HA 0.530 5.080 4.550 -0.000 0.000 0.330 402 Y C 0.007 175.931 175.900 0.041 0.000 1.100 402 Y CA -1.189 56.981 58.100 0.117 0.000 1.034 402 Y CB 0.631 39.173 38.460 0.137 0.000 1.285 402 Y HN 0.094 nan 8.280 nan 0.000 0.440 403 L N 4.782 125.667 121.223 -0.563 0.000 2.599 403 L HA 0.236 4.576 4.340 -0.000 0.000 0.230 403 L C 1.234 177.458 176.870 -1.076 0.000 1.141 403 L CA 0.785 55.127 54.840 -0.829 0.000 0.877 403 L CB -0.491 41.200 42.059 -0.612 0.000 1.009 403 L HN 0.790 nan 8.230 nan 0.000 0.447 404 G N -0.825 107.116 108.800 -1.433 0.000 2.702 404 G HA2 0.334 4.294 3.960 -0.000 0.000 0.254 404 G HA3 0.334 4.294 3.960 -0.000 0.000 0.254 404 G C -0.583 174.239 174.900 -0.130 0.000 1.380 404 G CA -0.257 44.362 45.100 -0.801 0.000 1.042 404 G HN -0.042 nan 8.290 nan 0.000 0.557 405 T N 0.649 115.295 114.554 0.153 0.000 2.727 405 T HA 0.291 4.641 4.350 -0.000 0.000 0.298 405 T C -0.462 174.492 174.700 0.423 0.000 0.942 405 T CA -0.092 62.171 62.100 0.272 0.000 0.997 405 T CB 0.672 69.634 68.868 0.157 0.000 0.917 405 T HN 0.332 nan 8.240 nan 0.000 0.487 406 Y N 3.172 123.685 120.300 0.356 0.000 2.335 406 Y HA 0.160 4.710 4.550 -0.000 0.000 0.348 406 Y C 1.865 177.861 175.900 0.159 0.000 1.280 406 Y CA -0.049 58.240 58.100 0.315 0.000 1.504 406 Y CB 0.601 39.263 38.460 0.336 0.000 1.366 406 Y HN 0.696 nan 8.280 nan 0.000 0.621 407 T N -0.487 113.618 114.554 -0.749 0.000 3.107 407 T HA 0.244 4.594 4.350 -0.000 0.000 0.249 407 T C -0.275 173.939 174.700 -0.811 0.000 1.096 407 T CA 0.231 61.913 62.100 -0.696 0.000 1.012 407 T CB -0.526 67.891 68.868 -0.753 0.000 0.977 407 T HN 0.583 nan 8.240 nan 0.000 0.527 408 H N 0.273 119.228 119.070 -0.191 0.000 3.046 408 H HA 0.384 4.940 4.556 -0.000 0.000 0.363 408 H C -1.447 174.144 175.328 0.439 0.000 1.203 408 H CA -0.806 55.335 56.048 0.156 0.000 1.169 408 H CB 1.847 31.714 29.762 0.176 0.000 1.851 408 H HN 0.181 nan 8.280 nan 0.000 0.546 409 D N 2.170 122.810 120.400 0.400 0.000 2.198 409 D HA 0.288 4.928 4.640 -0.000 0.000 0.245 409 D C -0.331 176.123 176.300 0.257 0.000 1.079 409 D CA 0.087 54.211 54.000 0.207 0.000 0.854 409 D CB 1.648 42.508 40.800 0.100 0.000 1.148 409 D HN 0.409 nan 8.370 nan 0.000 0.456 410 Y N -0.754 119.626 120.300 0.133 0.000 2.670 410 Y HA 0.611 5.161 4.550 -0.000 0.000 0.334 410 Y C -1.503 174.425 175.900 0.046 0.000 1.185 410 Y CA -1.265 56.886 58.100 0.085 0.000 1.053 410 Y CB 0.941 39.459 38.460 0.095 0.000 1.298 410 Y HN 0.140 nan 8.280 nan 0.000 0.459 411 I N 2.383 123.057 120.570 0.173 0.000 2.474 411 I HA 0.604 4.774 4.170 -0.000 0.000 0.294 411 I C -0.623 175.612 176.117 0.197 0.000 1.005 411 I CA -1.117 60.241 61.300 0.097 0.000 1.113 411 I CB 1.885 39.924 38.000 0.065 0.000 1.289 411 I HN 0.522 nan 8.210 nan 0.000 0.436 415 A N 0.365 123.189 122.820 0.008 0.000 3.248 415 A HA 0.791 5.111 4.320 -0.000 0.000 0.315 415 A C -0.039 177.543 177.584 -0.004 0.000 0.974 415 A CA -0.238 51.804 52.037 0.008 0.000 0.939 415 A CB -0.325 18.688 19.000 0.022 0.000 1.061 415 A HN 0.779 nan 8.150 nan 0.000 0.481 416 A N 0.429 123.232 122.820 -0.029 0.000 2.346 416 A HA 0.549 4.869 4.320 -0.000 0.000 0.252 416 A C 0.553 178.124 177.584 -0.021 0.000 1.089 416 A CA -0.347 51.663 52.037 -0.044 0.000 0.797 416 A CB 0.076 19.020 19.000 -0.093 0.000 1.047 416 A HN 1.116 nan 8.150 nan 0.000 0.494 417 I N 0.551 121.114 120.570 -0.011 0.000 2.752 417 I HA 0.296 4.466 4.170 -0.000 0.000 0.289 417 I C 1.311 177.407 176.117 -0.034 0.000 1.197 417 I CA 1.903 63.185 61.300 -0.029 0.000 1.432 417 I CB 0.226 38.205 38.000 -0.036 0.000 1.359 417 I HN 1.245 nan 8.210 nan 0.000 0.571 418 G N 4.729 113.503 108.800 -0.044 0.000 2.194 418 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.236 418 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.236 418 G C 0.230 175.117 174.900 -0.022 0.000 0.987 418 G CA 0.073 45.153 45.100 -0.034 0.000 0.635 418 G HN 0.790 nan 8.290 nan 0.000 0.520 419 V N 2.372 122.275 119.914 -0.019 0.000 2.673 419 V HA 0.468 4.588 4.120 -0.000 0.000 0.303 419 V C 1.130 177.218 176.094 -0.010 0.000 1.046 419 V CA -0.052 62.241 62.300 -0.012 0.000 1.126 419 V CB 0.387 32.205 31.823 -0.008 0.000 0.934 419 V HN 0.432 nan 8.190 nan 0.000 0.487 420 R N 4.044 124.539 120.500 -0.007 0.000 2.543 420 R HA 0.289 4.629 4.340 -0.000 0.000 0.268 420 R C 1.208 177.506 176.300 -0.004 0.000 1.067 420 R CA -0.116 55.980 56.100 -0.007 0.000 1.142 420 R CB 0.534 30.830 30.300 -0.006 0.000 1.110 420 R HN 0.796 nan 8.270 nan 0.000 0.549 421 T N 1.578 116.129 114.554 -0.004 0.000 2.777 421 T HA -0.146 4.204 4.350 -0.000 0.000 0.266 421 T C 1.523 176.222 174.700 -0.001 0.000 1.040 421 T CA 1.800 63.898 62.100 -0.003 0.000 1.141 421 T CB -0.090 68.775 68.868 -0.004 0.000 0.868 421 T HN 0.687 nan 8.240 nan 0.000 0.444 422 E N 1.612 121.811 120.200 -0.002 0.000 2.097 422 E HA -0.236 4.114 4.350 -0.000 0.000 0.196 422 E C 1.541 178.140 176.600 -0.000 0.000 1.000 422 E CA 1.595 57.994 56.400 -0.002 0.000 0.804 422 E CB -0.416 29.282 29.700 -0.004 0.000 0.740 422 E HN 0.378 nan 8.360 nan 0.000 0.454 423 D N 1.079 121.479 120.400 0.000 0.000 2.144 423 D HA -0.107 4.533 4.640 -0.000 0.000 0.199 423 D C 2.136 178.441 176.300 0.008 0.000 0.984 423 D CA 1.022 55.024 54.000 0.003 0.000 0.834 423 D CB -0.155 40.647 40.800 0.003 0.000 0.955 423 D HN 0.338 nan 8.370 nan 0.000 0.465 424 I N 0.247 120.822 120.570 0.009 0.000 2.193 424 I HA -0.180 3.990 4.170 -0.000 0.000 0.240 424 I C 2.425 178.551 176.117 0.014 0.000 1.084 424 I CA 0.522 61.830 61.300 0.014 0.000 1.365 424 I CB -0.229 37.779 38.000 0.013 0.000 1.064 424 I HN -0.118 nan 8.210 nan 0.000 0.410 425 V N 1.515 121.434 119.914 0.008 0.000 2.295 425 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 425 V C 2.134 178.233 176.094 0.008 0.000 1.049 425 V CA 1.932 64.236 62.300 0.007 0.000 1.024 425 V CB -0.829 30.995 31.823 0.002 0.000 0.648 425 V HN 0.445 nan 8.190 nan 0.000 0.447 426 N N 0.652 119.356 118.700 0.005 0.000 2.244 426 N HA -0.114 4.626 4.740 -0.000 0.000 0.183 426 N C 2.112 177.627 175.510 0.008 0.000 1.016 426 N CA 1.666 54.719 53.050 0.004 0.000 0.866 426 N CB -0.384 38.103 38.487 -0.001 0.000 0.980 426 N HN 0.661 nan 8.380 nan 0.000 0.430 427 S N -0.141 115.567 115.700 0.013 0.000 2.387 427 S HA -0.017 4.453 4.470 -0.000 0.000 0.226 427 S C 2.134 176.749 174.600 0.025 0.000 1.026 427 S CA 0.715 58.926 58.200 0.019 0.000 0.972 427 S CB -0.611 62.603 63.200 0.024 0.000 0.814 427 S HN 0.013 nan 8.310 nan 0.000 0.477 428 V N 2.914 122.844 119.914 0.027 0.000 2.283 428 V HA -0.110 4.010 4.120 -0.000 0.000 0.243 428 V C 3.117 179.226 176.094 0.025 0.000 1.039 428 V CA 1.891 64.210 62.300 0.032 0.000 1.016 428 V CB -1.205 30.637 31.823 0.032 0.000 0.650 428 V HN 0.783 nan 8.190 nan 0.000 0.449 429 S N -0.484 115.226 115.700 0.017 0.000 2.469 429 S HA -0.188 4.282 4.470 -0.000 0.000 0.238 429 S C 1.892 176.500 174.600 0.013 0.000 0.998 429 S CA 1.095 59.303 58.200 0.013 0.000 0.957 429 S CB -0.278 62.927 63.200 0.008 0.000 0.764 429 S HN 0.468 nan 8.310 nan 0.000 0.514 430 K N 0.746 121.155 120.400 0.015 0.000 2.211 430 K HA 0.285 4.605 4.320 -0.000 0.000 0.201 430 K C 1.970 178.581 176.600 0.020 0.000 1.052 430 K CA 0.416 56.711 56.287 0.013 0.000 0.973 430 K CB -0.541 31.965 32.500 0.011 0.000 0.766 430 K HN 0.411 nan 8.250 nan 0.000 0.466 431 L N 0.988 122.226 121.223 0.026 0.000 2.109 431 L HA -0.111 4.229 4.340 -0.000 0.000 0.207 431 L C 2.414 179.302 176.870 0.029 0.000 1.086 431 L CA 1.109 55.968 54.840 0.032 0.000 0.760 431 L CB -0.074 42.010 42.059 0.041 0.000 0.910 431 L HN 0.239 nan 8.230 nan 0.000 0.437 432 E N 0.427 120.643 120.200 0.026 0.000 2.077 432 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 432 E C 1.257 177.869 176.600 0.019 0.000 0.989 432 E CA 1.083 57.497 56.400 0.023 0.000 0.800 432 E CB 0.142 29.854 29.700 0.019 0.000 0.746 432 E HN 0.332 nan 8.360 nan 0.000 0.452 433 K N 0.341 120.751 120.400 0.016 0.000 2.743 433 K HA 0.109 4.429 4.320 -0.000 0.000 0.219 433 K C -0.126 176.483 176.600 0.015 0.000 1.003 433 K CA 0.177 56.472 56.287 0.014 0.000 1.156 433 K CB -0.022 32.484 32.500 0.010 0.000 0.932 433 K HN 0.179 nan 8.250 nan 0.000 0.490 434 I N 0.000 120.581 120.570 0.019 0.000 2.984 434 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 434 I CA 0.000 61.312 61.300 0.020 0.000 1.566 434 I CB 0.000 38.013 38.000 0.022 0.000 1.214 434 I HN 0.000 nan 8.210 nan 0.000 0.494