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 1p49_1_A DATA FIRST_RESID 23 DATA SEQUENCE AASRPNIILV MADDLGIGDP GCYGNKTIRT PNIDRLASGG VKLTQHLAAS DATA SEQUENCE PLXTPSRAAF MTGRYPVRSG MASWSRTGVF LFTASSGGLP TDEITFAKLL DATA SEQUENCE KDQGYSTALI GKWHLGMScH SKTDFcHHPL HHGFNYFYGI SLTNLRDcKP DATA SEQUENCE GEGSVFTTGF KRLVFLPLQI VGVTLLTLAA LNCLGLLHVP LGVFFSLLFL DATA SEQUENCE AALILTLFLG FLHYFRPLNc FMMRNYEIIQ QPMSYDNLTQ RLTVEAAQFI DATA SEQUENCE QRNTETPFLL VLSYLHVHTA LFSSKDFAGK SQHGVYGDAV EEMDWSVGQI DATA SEQUENCE LNLLDELRLA NDTLIYFTSD QGAHVEEVSS KGEIHGGSNG IYKGGKANNW DATA SEQUENCE EGGIRVPGIL RWPRVIQAGQ KIDEPTSNMD IFPTVAKLAG APLPEDRIID DATA SEQUENCE GRDLMPLLEG KSQRSDHEFL FHYcNAYLNA VRWHPQNSTS IWKAFFFTPN DATA SEQUENCE FNPVXXXXcF ATHVcFcFGS YVTHHDPPLL FDISKDPRER NPLTPASEPR DATA SEQUENCE FYEILKVMQE AADRHTQTLP EVPDQFSWNN FLWKPWLQLc cPSTGLScQc DATA SEQUENCE DRE 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 23 A HA 0.000 nan 4.320 nan 0.000 0.244 23 A C 0.000 177.629 177.584 0.074 0.000 1.274 23 A CA 0.000 52.085 52.037 0.079 0.000 0.836 23 A CB 0.000 19.033 19.000 0.055 0.000 0.831 24 A N 0.910 123.769 122.820 0.064 0.000 2.829 24 A HA -0.201 4.119 4.320 0.001 0.000 0.267 24 A C 1.803 179.436 177.584 0.082 0.000 1.370 24 A CA 2.146 54.220 52.037 0.061 0.000 0.900 24 A CB -2.506 16.519 19.000 0.043 0.000 1.044 24 A HN 1.873 nan 8.150 nan 0.000 0.691 25 S N -0.260 115.515 115.700 0.124 0.000 2.368 25 S HA -0.082 4.389 4.470 0.001 0.000 0.225 25 S C 1.176 175.854 174.600 0.130 0.000 1.030 25 S CA 0.873 59.172 58.200 0.165 0.000 0.999 25 S CB -0.233 63.170 63.200 0.338 0.000 0.844 25 S HN 0.983 nan 8.310 nan 0.000 0.459 26 R N 0.057 120.635 120.500 0.131 0.000 3.407 26 R HA -0.093 4.248 4.340 0.001 0.000 0.277 26 R C -2.866 173.450 176.300 0.026 0.000 1.119 26 R CA 0.571 56.736 56.100 0.108 0.000 0.750 26 R CB -2.713 27.590 30.300 0.005 0.000 1.258 26 R HN 0.439 nan 8.270 nan 0.000 0.432 27 P HA 0.178 nan 4.420 nan 0.000 0.282 27 P C -0.292 176.918 177.300 -0.150 0.000 1.287 27 P CA -0.510 62.558 63.100 -0.053 0.000 0.792 27 P CB 0.600 32.255 31.700 -0.074 0.000 1.163 28 N N 0.142 118.656 118.700 -0.311 0.000 2.514 28 N HA 0.271 5.012 4.740 0.001 0.000 0.277 28 N C -0.347 175.028 175.510 -0.225 0.000 1.126 28 N CA 0.039 52.783 53.050 -0.511 0.000 0.978 28 N CB 0.069 37.894 38.487 -1.103 0.000 1.106 28 N HN 0.259 nan 8.380 nan 0.000 0.461 29 I N 2.695 123.260 120.570 -0.009 0.000 2.389 29 I HA 0.382 4.553 4.170 0.001 0.000 0.288 29 I C 0.014 176.276 176.117 0.242 0.000 0.999 29 I CA -0.203 61.118 61.300 0.036 0.000 1.129 29 I CB 1.144 39.122 38.000 -0.036 0.000 1.288 29 I HN 0.318 nan 8.210 nan 0.000 0.444 30 I N 6.979 127.681 120.570 0.220 0.000 2.382 30 I HA 0.304 4.474 4.170 0.001 0.000 0.285 30 I C -1.155 175.125 176.117 0.271 0.000 1.007 30 I CA -0.776 60.696 61.300 0.287 0.000 1.142 30 I CB 1.197 39.364 38.000 0.279 0.000 1.289 30 I HN 0.156 nan 8.210 nan 0.000 0.453 31 L N 8.248 129.660 121.223 0.316 0.000 2.262 31 L HA 0.415 4.756 4.340 0.001 0.000 0.288 31 L C -0.145 176.870 176.870 0.242 0.000 1.035 31 L CA -0.590 54.491 54.840 0.403 0.000 0.820 31 L CB 1.291 43.698 42.059 0.580 0.000 1.204 31 L HN 0.198 nan 8.230 nan 0.000 0.424 32 V N 4.653 124.635 119.914 0.114 0.000 2.357 32 V HA 0.520 4.640 4.120 0.001 0.000 0.284 32 V C 0.096 176.027 176.094 -0.272 0.000 1.018 32 V CA -0.507 61.781 62.300 -0.020 0.000 0.841 32 V CB 1.578 33.510 31.823 0.183 0.000 0.991 32 V HN 0.772 nan 8.190 nan 0.000 0.437 33 M N 4.769 124.211 119.600 -0.263 0.000 2.134 33 M HA 0.768 5.249 4.480 0.001 0.000 0.310 33 M C -0.149 176.036 176.300 -0.191 0.000 0.966 33 M CA -0.420 54.661 55.300 -0.365 0.000 0.922 33 M CB 1.375 33.770 32.600 -0.343 0.000 1.537 33 M HN 0.750 nan 8.290 nan 0.000 0.424 34 A N 3.190 125.853 122.820 -0.261 0.000 2.316 34 A HA 0.388 4.709 4.320 0.001 0.000 0.284 34 A C -0.710 176.848 177.584 -0.044 0.000 1.115 34 A CA -0.492 51.532 52.037 -0.022 0.000 0.812 34 A CB 0.508 19.474 19.000 -0.056 0.000 1.064 34 A HN 0.773 nan 8.150 nan 0.000 0.489 35 D N 1.479 121.913 120.400 0.056 0.000 2.316 35 D HA 0.234 4.875 4.640 0.001 0.000 0.245 35 D C -0.158 176.185 176.300 0.072 0.000 1.171 35 D CA 0.562 54.603 54.000 0.069 0.000 0.856 35 D CB 0.342 41.225 40.800 0.139 0.000 1.090 35 D HN 0.527 nan 8.370 nan 0.000 0.476 36 D N 1.465 121.888 120.400 0.037 0.000 3.059 36 D HA -0.243 4.398 4.640 0.001 0.000 0.213 36 D C 0.415 176.764 176.300 0.081 0.000 1.144 36 D CA 0.305 54.329 54.000 0.039 0.000 0.975 36 D CB -1.032 39.791 40.800 0.038 0.000 1.125 36 D HN 0.340 nan 8.370 nan 0.000 0.412 37 L N 1.693 122.948 121.223 0.054 0.000 2.562 37 L HA 0.345 4.686 4.340 0.001 0.000 0.271 37 L C 1.191 178.108 176.870 0.079 0.000 1.167 37 L CA 0.536 55.436 54.840 0.100 0.000 0.917 37 L CB 0.470 42.561 42.059 0.055 0.000 1.187 37 L HN 0.069 nan 8.230 nan 0.000 0.482 38 G N 4.292 113.178 108.800 0.143 0.000 2.554 38 G HA2 0.114 4.075 3.960 0.001 0.000 0.238 38 G HA3 0.114 4.075 3.960 0.001 0.000 0.238 38 G C 0.767 175.672 174.900 0.007 0.000 1.259 38 G CA -0.093 45.047 45.100 0.067 0.000 0.843 38 G HN 0.875 nan 8.290 nan 0.000 0.582 39 I N 1.183 121.721 120.570 -0.053 0.000 2.614 39 I HA 0.050 4.221 4.170 0.001 0.000 0.258 39 I C 2.144 178.223 176.117 -0.063 0.000 1.189 39 I CA 1.295 62.495 61.300 -0.166 0.000 1.462 39 I CB -0.169 37.720 38.000 -0.185 0.000 1.092 39 I HN 0.414 nan 8.210 nan 0.000 0.442 40 G N -0.716 108.122 108.800 0.065 0.000 3.591 40 G HA2 0.080 4.041 3.960 0.001 0.000 0.282 40 G HA3 0.080 4.041 3.960 0.001 0.000 0.282 40 G C 0.459 175.431 174.900 0.120 0.000 1.238 40 G CA 0.085 45.260 45.100 0.124 0.000 0.993 40 G HN 0.345 nan 8.290 nan 0.000 0.542 41 D N -0.356 120.116 120.400 0.119 0.000 2.470 41 D HA 0.144 4.784 4.640 0.001 0.000 0.238 41 D C -1.975 174.416 176.300 0.151 0.000 1.054 41 D CA -0.021 54.073 54.000 0.156 0.000 0.896 41 D CB 0.419 41.354 40.800 0.224 0.000 1.118 41 D HN 0.212 nan 8.370 nan 0.000 0.497 42 P HA 0.143 nan 4.420 nan 0.000 0.273 42 P C 1.166 178.565 177.300 0.166 0.000 1.250 42 P CA -0.003 63.193 63.100 0.160 0.000 0.793 42 P CB 0.922 32.755 31.700 0.221 0.000 1.011 43 G N 0.429 109.296 108.800 0.112 0.000 2.434 43 G HA2 -0.239 3.722 3.960 0.001 0.000 0.214 43 G HA3 -0.239 3.722 3.960 0.001 0.000 0.214 43 G C 1.105 176.058 174.900 0.089 0.000 1.202 43 G CA 0.864 46.014 45.100 0.084 0.000 0.788 43 G HN 0.712 nan 8.290 nan 0.000 0.539 44 C N -1.064 118.279 119.300 0.071 0.000 2.490 44 C HA 0.326 4.787 4.460 0.001 0.000 0.315 44 C C 1.291 176.200 174.990 -0.134 0.000 1.493 44 C CA -0.381 58.620 59.018 -0.028 0.000 1.572 44 C CB -2.327 25.368 27.740 -0.075 0.000 1.523 44 C HN 0.387 nan 8.230 nan 0.000 0.611 45 Y N -0.517 119.812 120.300 0.049 0.000 2.590 45 Y HA 0.454 5.005 4.550 0.001 0.000 0.263 45 Y C 1.872 177.813 175.900 0.068 0.000 1.069 45 Y CA 0.657 58.799 58.100 0.069 0.000 1.242 45 Y CB 0.815 39.331 38.460 0.094 0.000 1.357 45 Y HN 0.366 nan 8.280 nan 0.000 0.556 46 G N -0.351 108.551 108.800 0.169 0.000 3.876 46 G HA2 -0.214 3.747 3.960 0.001 0.000 0.203 46 G HA3 -0.214 3.747 3.960 0.001 0.000 0.203 46 G C -0.102 174.852 174.900 0.090 0.000 1.162 46 G CA -0.517 44.652 45.100 0.114 0.000 0.903 46 G HN 0.095 nan 8.290 nan 0.000 0.390 47 N N 1.293 120.059 118.700 0.110 0.000 2.294 47 N HA 0.092 4.832 4.740 0.001 0.000 0.248 47 N C 0.708 176.257 175.510 0.064 0.000 1.242 47 N CA 0.887 53.987 53.050 0.085 0.000 0.848 47 N CB 0.606 39.156 38.487 0.105 0.000 1.084 47 N HN 0.537 nan 8.380 nan 0.000 0.457 48 K N 0.897 121.324 120.400 0.045 0.000 2.450 48 K HA 0.093 4.414 4.320 0.001 0.000 0.206 48 K C 1.016 177.635 176.600 0.031 0.000 1.148 48 K CA 0.233 56.539 56.287 0.033 0.000 1.014 48 K CB 0.622 33.134 32.500 0.020 0.000 0.966 48 K HN 0.539 nan 8.250 nan 0.000 0.566 49 T N 0.373 114.948 114.554 0.035 0.000 3.040 49 T HA 0.202 4.553 4.350 0.001 0.000 0.252 49 T C 0.890 175.622 174.700 0.053 0.000 1.064 49 T CA -0.022 62.099 62.100 0.035 0.000 1.110 49 T CB 0.304 69.185 68.868 0.023 0.000 0.921 49 T HN -0.105 nan 8.240 nan 0.000 0.480 50 I N 2.655 123.266 120.570 0.069 0.000 2.575 50 I HA 0.218 4.389 4.170 0.001 0.000 0.285 50 I C 0.592 176.751 176.117 0.070 0.000 1.085 50 I CA -0.194 61.155 61.300 0.082 0.000 1.403 50 I CB 0.385 38.447 38.000 0.102 0.000 1.409 50 I HN 0.062 nan 8.210 nan 0.000 0.557 51 R N 3.645 124.191 120.500 0.077 0.000 2.870 51 R HA 0.158 4.498 4.340 0.001 0.000 0.254 51 R C 0.171 176.510 176.300 0.065 0.000 1.392 51 R CA -0.094 56.052 56.100 0.077 0.000 1.322 51 R CB -0.061 30.303 30.300 0.107 0.000 1.205 51 R HN 0.670 nan 8.270 nan 0.000 0.597 52 T N -1.811 112.766 114.554 0.038 0.000 3.213 52 T HA 0.189 4.540 4.350 0.001 0.000 0.240 52 T C -1.461 173.231 174.700 -0.013 0.000 1.033 52 T CA -1.646 60.453 62.100 -0.001 0.000 1.087 52 T CB 0.611 69.473 68.868 -0.010 0.000 1.119 52 T HN 0.179 nan 8.240 nan 0.000 0.571 53 P HA -0.133 nan 4.420 nan 0.000 0.211 53 P C 1.362 178.649 177.300 -0.022 0.000 1.179 53 P CA 1.213 64.317 63.100 0.007 0.000 0.910 53 P CB 0.143 31.864 31.700 0.035 0.000 0.785 54 N N -0.003 118.682 118.700 -0.024 0.000 2.258 54 N HA -0.121 4.620 4.740 0.001 0.000 0.187 54 N C 1.986 177.433 175.510 -0.105 0.000 1.012 54 N CA 1.064 54.083 53.050 -0.052 0.000 0.870 54 N CB -0.509 37.945 38.487 -0.055 0.000 0.977 54 N HN 0.313 nan 8.380 nan 0.000 0.434 55 I N 0.916 121.386 120.570 -0.166 0.000 2.584 55 I HA -0.142 4.029 4.170 0.001 0.000 0.255 55 I C 1.314 177.328 176.117 -0.172 0.000 1.145 55 I CA 0.752 61.875 61.300 -0.295 0.000 1.462 55 I CB -0.064 37.632 38.000 -0.507 0.000 1.102 55 I HN -0.048 nan 8.210 nan 0.000 0.433 56 D N 0.823 121.167 120.400 -0.093 0.000 2.183 56 D HA -0.149 4.492 4.640 0.001 0.000 0.203 56 D C 1.739 178.014 176.300 -0.041 0.000 0.969 56 D CA 0.678 54.648 54.000 -0.051 0.000 0.842 56 D CB -0.250 40.534 40.800 -0.027 0.000 0.957 56 D HN 0.216 nan 8.370 nan 0.000 0.484 57 R N 0.801 121.277 120.500 -0.040 0.000 4.624 57 R HA 0.175 4.516 4.340 0.001 0.000 0.214 57 R C 0.759 177.046 176.300 -0.021 0.000 2.026 57 R CA 0.083 56.170 56.100 -0.022 0.000 1.676 57 R CB -0.498 29.793 30.300 -0.016 0.000 1.291 57 R HN 0.178 nan 8.270 nan 0.000 0.739 58 L N -1.775 119.434 121.223 -0.023 0.000 4.127 58 L HA 0.204 4.544 4.340 0.001 0.000 0.417 58 L C 1.051 177.929 176.870 0.012 0.000 0.966 58 L CA 0.509 55.347 54.840 -0.003 0.000 1.651 58 L CB 0.084 42.122 42.059 -0.036 0.000 2.127 58 L HN 0.324 nan 8.230 nan 0.000 0.623 59 A N -0.907 121.907 122.820 -0.010 0.000 1.997 59 A HA 0.079 4.399 4.320 0.001 0.000 0.212 59 A C 1.997 179.571 177.584 -0.016 0.000 1.178 59 A CA 1.240 53.270 52.037 -0.012 0.000 0.698 59 A CB -0.007 18.962 19.000 -0.051 0.000 0.842 59 A HN 0.265 nan 8.150 nan 0.000 0.458 60 S N -0.331 115.359 115.700 -0.016 0.000 2.489 60 S HA 0.055 4.525 4.470 0.001 0.000 0.228 60 S C 1.702 176.303 174.600 0.002 0.000 0.995 60 S CA 0.774 58.967 58.200 -0.012 0.000 0.934 60 S CB -0.019 63.173 63.200 -0.013 0.000 0.771 60 S HN 0.695 nan 8.310 nan 0.000 0.522 61 G N 0.138 108.946 108.800 0.014 0.000 3.088 61 G HA2 0.537 4.498 3.960 0.001 0.000 0.217 61 G HA3 0.537 4.498 3.960 0.001 0.000 0.217 61 G C 0.425 175.351 174.900 0.043 0.000 1.159 61 G CA 0.350 45.467 45.100 0.028 0.000 0.760 61 G HN 0.586 nan 8.290 nan 0.000 0.550 62 G N -0.688 108.137 108.800 0.042 0.000 2.726 62 G HA2 0.464 4.425 3.960 0.001 0.000 0.198 62 G HA3 0.464 4.425 3.960 0.001 0.000 0.198 62 G C -1.093 173.835 174.900 0.045 0.000 1.195 62 G CA 0.251 45.386 45.100 0.059 0.000 0.951 62 G HN 0.646 nan 8.290 nan 0.000 0.532 63 V N -0.840 119.112 119.914 0.063 0.000 2.644 63 V HA 0.757 4.878 4.120 0.001 0.000 0.295 63 V C -0.117 176.008 176.094 0.051 0.000 1.053 63 V CA -0.856 61.474 62.300 0.050 0.000 0.987 63 V CB 1.413 33.271 31.823 0.059 0.000 1.006 63 V HN 0.739 nan 8.190 nan 0.000 0.472 64 K N 3.962 124.376 120.400 0.023 0.000 2.449 64 K HA 0.538 4.858 4.320 0.001 0.000 0.257 64 K C -0.953 175.682 176.600 0.060 0.000 0.989 64 K CA -0.663 55.636 56.287 0.020 0.000 0.916 64 K CB 1.106 33.533 32.500 -0.121 0.000 1.136 64 K HN 0.807 nan 8.250 nan 0.000 0.439 65 L N 4.031 125.322 121.223 0.114 0.000 2.462 65 L HA 0.076 4.417 4.340 0.001 0.000 0.272 65 L C 0.918 177.918 176.870 0.215 0.000 1.166 65 L CA 0.070 54.979 54.840 0.116 0.000 0.880 65 L CB 0.962 43.035 42.059 0.023 0.000 1.142 65 L HN 0.792 nan 8.230 nan 0.000 0.473 66 T N 1.039 115.694 114.554 0.168 0.000 3.044 66 T HA -0.014 4.337 4.350 0.001 0.000 0.250 66 T C 0.948 175.754 174.700 0.176 0.000 1.081 66 T CA 0.559 62.783 62.100 0.207 0.000 1.040 66 T CB 0.075 69.020 68.868 0.129 0.000 0.962 66 T HN 0.517 nan 8.240 nan 0.000 0.506 67 Q N 1.035 120.918 119.800 0.138 0.000 2.563 67 Q HA 0.131 4.471 4.340 0.001 0.000 0.367 67 Q C -1.245 174.828 176.000 0.123 0.000 0.845 67 Q CA -0.252 55.604 55.803 0.089 0.000 1.077 67 Q CB 0.249 29.013 28.738 0.045 0.000 1.409 67 Q HN 0.337 nan 8.270 nan 0.000 0.396 68 H N 0.868 119.952 119.070 0.022 0.000 2.800 68 H HA 0.290 4.846 4.556 0.001 0.000 0.291 68 H C -0.947 174.367 175.328 -0.023 0.000 1.076 68 H CA 0.253 56.314 56.048 0.023 0.000 1.452 68 H CB 0.267 30.069 29.762 0.068 0.000 1.461 68 H HN 0.343 nan 8.280 nan 0.000 0.488 69 L N 4.688 125.779 121.223 -0.221 0.000 2.280 69 L HA 0.476 4.816 4.340 0.001 0.000 0.287 69 L C 0.369 177.086 176.870 -0.254 0.000 1.023 69 L CA -1.030 53.701 54.840 -0.183 0.000 0.819 69 L CB 1.358 43.379 42.059 -0.064 0.000 1.212 69 L HN 0.647 nan 8.230 nan 0.000 0.420 70 A N 2.518 125.227 122.820 -0.185 0.000 2.440 70 A HA 0.492 4.813 4.320 0.001 0.000 0.251 70 A C 1.215 178.750 177.584 -0.082 0.000 1.089 70 A CA 0.234 52.180 52.037 -0.150 0.000 0.779 70 A CB 0.770 19.697 19.000 -0.122 0.000 1.022 70 A HN 0.923 nan 8.150 nan 0.000 0.492 71 A N 1.945 124.719 122.820 -0.076 0.000 2.248 71 A HA 0.385 4.705 4.320 0.001 0.000 0.210 71 A C 0.882 178.478 177.584 0.021 0.000 1.174 71 A CA 1.371 53.398 52.037 -0.017 0.000 0.750 71 A CB -0.343 18.621 19.000 -0.060 0.000 0.780 71 A HN 0.904 nan 8.150 nan 0.000 0.478 72 S N -2.670 113.010 115.700 -0.033 0.000 2.578 72 S HA 0.419 4.890 4.470 0.001 0.000 0.272 72 S C -2.822 171.723 174.600 -0.093 0.000 1.145 72 S CA -0.566 57.597 58.200 -0.062 0.000 0.835 72 S CB 1.633 64.765 63.200 -0.114 0.000 1.104 72 S HN -0.047 nan 8.310 nan 0.000 0.458 73 P HA 0.282 nan 4.420 nan 0.000 0.245 73 P C -0.375 176.840 177.300 -0.142 0.000 1.206 73 P CA 0.415 63.444 63.100 -0.119 0.000 0.781 73 P CB 0.210 31.838 31.700 -0.119 0.000 0.994 77 P HA -0.008 nan 4.420 nan 0.000 0.217 77 P C 1.715 178.909 177.300 -0.177 0.000 1.151 77 P CA 1.354 64.299 63.100 -0.258 0.000 0.828 77 P CB -0.031 31.476 31.700 -0.321 0.000 0.788 78 S N -0.001 115.607 115.700 -0.153 0.000 2.353 78 S HA -0.169 4.301 4.470 0.001 0.000 0.222 78 S C 2.195 176.769 174.600 -0.044 0.000 1.035 78 S CA 1.291 59.434 58.200 -0.095 0.000 1.025 78 S CB -0.635 62.506 63.200 -0.098 0.000 0.902 78 S HN -0.010 nan 8.310 nan 0.000 0.440 79 R N 0.733 121.192 120.500 -0.069 0.000 2.105 79 R HA -0.012 4.328 4.340 0.001 0.000 0.239 79 R C 2.630 178.906 176.300 -0.039 0.000 1.135 79 R CA 1.365 57.456 56.100 -0.016 0.000 0.967 79 R CB -0.640 29.597 30.300 -0.105 0.000 0.861 79 R HN 0.515 nan 8.270 nan 0.000 0.442 80 A N 0.942 123.671 122.820 -0.151 0.000 1.908 80 A HA -0.153 4.167 4.320 0.001 0.000 0.218 80 A C 2.333 179.848 177.584 -0.115 0.000 1.181 80 A CA 1.816 53.742 52.037 -0.185 0.000 0.627 80 A CB -0.733 18.151 19.000 -0.193 0.000 0.818 80 A HN 0.418 nan 8.150 nan 0.000 0.445 81 A N -1.372 121.404 122.820 -0.074 0.000 1.929 81 A HA 0.064 4.385 4.320 0.001 0.000 0.216 81 A C 2.002 179.599 177.584 0.023 0.000 1.176 81 A CA 1.469 53.463 52.037 -0.073 0.000 0.628 81 A CB -0.647 18.303 19.000 -0.084 0.000 0.816 81 A HN 0.661 nan 8.150 nan 0.000 0.444 82 F N 0.522 120.461 119.950 -0.018 0.000 2.051 82 F HA -0.195 4.333 4.527 0.001 0.000 0.296 82 F C 2.216 178.210 175.800 0.325 0.000 1.122 82 F CA 2.014 60.090 58.000 0.127 0.000 1.201 82 F CB -0.314 38.779 39.000 0.155 0.000 0.978 82 F HN 0.095 nan 8.300 nan 0.000 0.472 83 M N 0.306 119.974 119.600 0.112 0.000 2.202 83 M HA -0.146 4.334 4.480 0.001 0.000 0.262 83 M C 2.026 178.336 176.300 0.016 0.000 1.063 83 M CA 2.127 57.387 55.300 -0.066 0.000 1.097 83 M CB -1.915 30.602 32.600 -0.139 0.000 1.382 83 M HN 0.474 nan 8.290 nan 0.000 0.413 84 T N -4.613 109.871 114.554 -0.116 0.000 2.990 84 T HA 0.376 4.727 4.350 0.001 0.000 0.249 84 T C 1.431 175.566 174.700 -0.942 0.000 1.039 84 T CA 0.741 62.599 62.100 -0.402 0.000 1.036 84 T CB 0.185 68.880 68.868 -0.289 0.000 0.994 84 T HN 0.503 nan 8.240 nan 0.000 0.489 85 G N 1.772 110.257 108.800 -0.525 0.000 2.160 85 G HA2 -0.257 3.704 3.960 0.001 0.000 0.251 85 G HA3 -0.257 3.704 3.960 0.001 0.000 0.251 85 G C -0.001 174.643 174.900 -0.427 0.000 1.008 85 G CA 0.178 44.989 45.100 -0.481 0.000 0.724 85 G HN 0.743 nan 8.290 nan 0.000 0.514 86 R N -1.546 118.734 120.500 -0.366 0.000 2.807 86 R HA 0.570 4.911 4.340 0.001 0.000 0.276 86 R C -0.483 175.684 176.300 -0.222 0.000 0.979 86 R CA -1.032 54.906 56.100 -0.270 0.000 0.928 86 R CB 1.052 31.226 30.300 -0.210 0.000 1.191 86 R HN 0.117 nan 8.270 nan 0.000 0.471 87 Y N 1.918 122.151 120.300 -0.112 0.000 2.610 87 Y HA 0.013 4.564 4.550 0.001 0.000 0.332 87 Y C -1.294 174.464 175.900 -0.238 0.000 1.201 87 Y CA -1.133 56.876 58.100 -0.151 0.000 1.465 87 Y CB 0.263 38.645 38.460 -0.131 0.000 1.283 87 Y HN 0.519 nan 8.280 nan 0.000 0.563 88 P HA -0.279 nan 4.420 nan 0.000 0.218 88 P C 1.501 178.642 177.300 -0.265 0.000 1.150 88 P CA 2.248 65.225 63.100 -0.205 0.000 0.841 88 P CB -0.012 31.534 31.700 -0.256 0.000 0.784 89 V N -2.434 117.250 119.914 -0.382 0.000 2.626 89 V HA -0.159 3.961 4.120 0.001 0.000 0.252 89 V C 2.086 178.050 176.094 -0.216 0.000 1.067 89 V CA 1.372 63.436 62.300 -0.394 0.000 1.081 89 V CB -1.286 30.161 31.823 -0.626 0.000 0.686 89 V HN 0.032 nan 8.190 nan 0.000 0.468 90 R N 2.045 122.455 120.500 -0.150 0.000 2.148 90 R HA -0.038 4.302 4.340 0.001 0.000 0.227 90 R C 2.248 178.507 176.300 -0.068 0.000 1.103 90 R CA 1.606 57.654 56.100 -0.087 0.000 0.983 90 R CB -0.433 29.837 30.300 -0.050 0.000 0.874 90 R HN 0.777 nan 8.270 nan 0.000 0.451 91 S N -1.028 114.624 115.700 -0.080 0.000 2.554 91 S HA 0.189 4.659 4.470 0.001 0.000 0.226 91 S C 1.103 175.679 174.600 -0.039 0.000 0.980 91 S CA 0.070 58.240 58.200 -0.050 0.000 0.939 91 S CB 1.001 64.163 63.200 -0.063 0.000 0.832 91 S HN 0.421 nan 8.310 nan 0.000 0.486 92 G N 1.521 110.281 108.800 -0.067 0.000 2.323 92 G HA2 -0.295 3.666 3.960 0.001 0.000 0.292 92 G HA3 -0.295 3.666 3.960 0.001 0.000 0.292 92 G C -0.057 174.831 174.900 -0.019 0.000 1.040 92 G CA 0.632 45.706 45.100 -0.044 0.000 0.942 92 G HN 0.587 nan 8.290 nan 0.000 0.506 93 M N 0.363 119.915 119.600 -0.081 0.000 3.231 93 M HA 0.670 5.151 4.480 0.001 0.000 0.231 93 M C 0.248 176.421 176.300 -0.211 0.000 1.136 93 M CA 0.669 55.958 55.300 -0.018 0.000 0.990 93 M CB 0.308 32.874 32.600 -0.057 0.000 1.291 93 M HN 1.054 nan 8.290 nan 0.000 0.565 94 A N 0.103 122.702 122.820 -0.368 0.000 2.555 94 A HA 0.696 5.017 4.320 0.001 0.000 0.297 94 A C -0.527 176.544 177.584 -0.856 0.000 1.060 94 A CA -0.690 50.905 52.037 -0.737 0.000 0.710 94 A CB 0.990 19.601 19.000 -0.648 0.000 1.282 94 A HN 0.486 nan 8.150 nan 0.000 0.399 95 S N 0.313 115.350 115.700 -1.106 0.000 2.687 95 S HA 0.623 5.094 4.470 0.001 0.000 0.283 95 S C -0.097 173.931 174.600 -0.954 0.000 1.170 95 S CA -0.385 57.308 58.200 -0.846 0.000 1.008 95 S CB 0.649 63.377 63.200 -0.785 0.000 1.026 95 S HN 0.818 nan 8.310 nan 0.000 0.541 96 W N 1.162 122.095 121.300 -0.611 0.000 3.114 96 W HA 0.295 4.955 4.660 0.001 0.000 0.279 96 W C 1.424 177.492 176.519 -0.751 0.000 1.277 96 W CA 0.086 56.999 57.345 -0.720 0.000 1.630 96 W CB -0.456 28.809 29.460 -0.325 0.000 1.087 96 W HN 0.826 nan 8.180 nan 0.000 0.637 97 S N 0.593 116.062 115.700 -0.385 0.000 2.694 97 S HA 0.352 4.823 4.470 0.001 0.000 0.278 97 S C 1.136 175.479 174.600 -0.429 0.000 1.152 97 S CA -0.639 57.407 58.200 -0.256 0.000 1.010 97 S CB 1.212 64.275 63.200 -0.228 0.000 1.104 97 S HN 0.160 nan 8.310 nan 0.000 0.547 98 R N 0.274 120.674 120.500 -0.167 0.000 2.316 98 R HA 0.041 4.382 4.340 0.001 0.000 0.202 98 R C 0.276 176.426 176.300 -0.249 0.000 1.029 98 R CA 1.001 56.810 56.100 -0.484 0.000 1.018 98 R CB -0.724 29.154 30.300 -0.704 0.000 0.888 98 R HN 0.820 nan 8.270 nan 0.000 0.471 99 T N -2.142 112.228 114.554 -0.308 0.000 2.762 99 T HA 0.349 4.700 4.350 0.001 0.000 0.303 99 T C 0.917 175.364 174.700 -0.422 0.000 0.977 99 T CA -0.730 61.176 62.100 -0.324 0.000 0.961 99 T CB 1.786 70.220 68.868 -0.723 0.000 0.944 99 T HN 0.140 nan 8.240 nan 0.000 0.481 100 G N 2.338 110.911 108.800 -0.377 0.000 3.126 100 G HA2 0.439 4.399 3.960 0.001 0.000 0.224 100 G HA3 0.439 4.399 3.960 0.001 0.000 0.224 100 G C 0.263 174.755 174.900 -0.680 0.000 1.142 100 G CA 0.208 44.903 45.100 -0.676 0.000 0.759 100 G HN 1.145 nan 8.290 nan 0.000 0.550 101 V N -3.579 116.230 119.914 -0.174 0.000 3.087 101 V HA 0.758 4.878 4.120 0.001 0.000 0.306 101 V C -0.930 175.316 176.094 0.253 0.000 1.187 101 V CA -1.946 60.311 62.300 -0.071 0.000 0.999 101 V CB 1.373 33.115 31.823 -0.134 0.000 1.049 101 V HN -0.069 nan 8.190 nan 0.000 0.431 102 F N 2.712 122.817 119.950 0.259 0.000 2.529 102 F HA 0.549 5.076 4.527 0.001 0.000 0.365 102 F C 0.886 176.920 175.800 0.391 0.000 1.102 102 F CA -0.543 57.635 58.000 0.296 0.000 1.271 102 F CB 0.763 39.805 39.000 0.070 0.000 1.120 102 F HN 0.302 nan 8.300 nan 0.000 0.579 103 L N 2.736 124.245 121.223 0.477 0.000 2.920 103 L HA 0.315 4.655 4.340 0.001 0.000 0.257 103 L C -0.687 176.008 176.870 -0.292 0.000 1.150 103 L CA -0.122 54.815 54.840 0.162 0.000 0.959 103 L CB -0.495 41.712 42.059 0.246 0.000 1.321 103 L HN 0.305 nan 8.230 nan 0.000 0.555 104 F N -0.776 119.280 119.950 0.176 0.000 2.507 104 F HA 0.287 4.815 4.527 0.001 0.000 0.328 104 F C 1.654 177.479 175.800 0.041 0.000 1.136 104 F CA -0.520 57.539 58.000 0.099 0.000 0.930 104 F CB 1.483 40.526 39.000 0.073 0.000 1.166 104 F HN -0.108 nan 8.300 nan 0.000 0.436 105 T N -0.569 114.078 114.554 0.156 0.000 2.803 105 T HA -0.139 4.212 4.350 0.001 0.000 0.269 105 T C 1.320 176.081 174.700 0.101 0.000 1.052 105 T CA 1.101 63.259 62.100 0.098 0.000 1.136 105 T CB -0.163 68.773 68.868 0.113 0.000 0.864 105 T HN 0.562 nan 8.240 nan 0.000 0.467 106 A N 1.769 124.688 122.820 0.166 0.000 3.105 106 A HA 0.593 4.914 4.320 0.001 0.000 0.272 106 A C 0.786 178.270 177.584 -0.166 0.000 1.466 106 A CA -0.523 51.496 52.037 -0.030 0.000 1.101 106 A CB -0.584 18.367 19.000 -0.082 0.000 1.065 106 A HN 0.637 nan 8.150 nan 0.000 0.643 107 S N -0.969 114.666 115.700 -0.107 0.000 2.607 107 S HA 0.516 4.987 4.470 0.001 0.000 0.303 107 S C 0.739 175.235 174.600 -0.173 0.000 1.086 107 S CA 0.092 58.199 58.200 -0.156 0.000 0.995 107 S CB 1.637 64.784 63.200 -0.088 0.000 1.084 107 S HN 0.706 nan 8.310 nan 0.000 0.507 108 S N -0.128 115.502 115.700 -0.116 0.000 2.575 108 S HA 0.292 4.763 4.470 0.001 0.000 0.215 108 S C 0.934 175.529 174.600 -0.010 0.000 0.966 108 S CA -0.236 57.944 58.200 -0.034 0.000 0.911 108 S CB -0.685 62.544 63.200 0.047 0.000 0.780 108 S HN 1.119 nan 8.310 nan 0.000 0.514 109 G N 0.081 108.755 108.800 -0.210 0.000 2.403 109 G HA2 0.562 4.523 3.960 0.001 0.000 0.259 109 G HA3 0.562 4.523 3.960 0.001 0.000 0.259 109 G C 0.005 174.437 174.900 -0.781 0.000 1.244 109 G CA -0.052 44.858 45.100 -0.316 0.000 0.849 109 G HN 0.723 nan 8.290 nan 0.000 0.532 110 G N 0.158 108.559 108.800 -0.664 0.000 2.506 110 G HA2 0.488 4.448 3.960 0.001 0.000 0.292 110 G HA3 0.488 4.448 3.960 0.001 0.000 0.292 110 G C -1.229 173.229 174.900 -0.736 0.000 1.425 110 G CA -1.017 43.518 45.100 -0.942 0.000 0.788 110 G HN 0.930 nan 8.290 nan 0.000 0.490 111 L N 1.598 122.561 121.223 -0.432 0.000 2.615 111 L HA 0.318 4.659 4.340 0.001 0.000 0.271 111 L C -1.847 175.004 176.870 -0.032 0.000 1.183 111 L CA -0.869 53.821 54.840 -0.251 0.000 0.933 111 L CB -0.097 41.715 42.059 -0.412 0.000 1.199 111 L HN 0.197 nan 8.230 nan 0.000 0.487 112 P HA -0.088 nan 4.420 nan 0.000 0.261 112 P C 0.795 178.322 177.300 0.378 0.000 1.165 112 P CA 0.445 63.670 63.100 0.208 0.000 0.759 112 P CB 0.478 32.249 31.700 0.118 0.000 0.772 113 T N 1.491 116.266 114.554 0.368 0.000 2.822 113 T HA -0.178 4.173 4.350 0.001 0.000 0.270 113 T C 1.066 175.849 174.700 0.138 0.000 1.064 113 T CA 1.973 64.217 62.100 0.241 0.000 1.131 113 T CB -0.652 68.308 68.868 0.153 0.000 0.858 113 T HN 0.574 nan 8.240 nan 0.000 0.483 114 D N -0.145 120.341 120.400 0.144 0.000 2.339 114 D HA 0.041 4.682 4.640 0.001 0.000 0.217 114 D C 0.596 176.964 176.300 0.113 0.000 1.050 114 D CA 0.048 54.107 54.000 0.098 0.000 0.856 114 D CB -0.169 40.675 40.800 0.073 0.000 0.922 114 D HN 0.300 nan 8.370 nan 0.000 0.518 115 E N 0.336 120.643 120.200 0.179 0.000 2.349 115 E HA 0.390 4.741 4.350 0.001 0.000 0.262 115 E C 0.091 176.812 176.600 0.200 0.000 1.088 115 E CA -0.475 56.017 56.400 0.153 0.000 0.899 115 E CB 1.920 31.692 29.700 0.120 0.000 1.044 115 E HN 0.237 nan 8.360 nan 0.000 0.420 116 I N 1.465 122.127 120.570 0.153 0.000 2.410 116 I HA 0.120 4.290 4.170 0.001 0.000 0.286 116 I C 0.579 176.848 176.117 0.253 0.000 1.009 116 I CA -0.614 60.800 61.300 0.190 0.000 1.111 116 I CB 1.717 39.821 38.000 0.174 0.000 1.262 116 I HN 0.397 nan 8.210 nan 0.000 0.443 117 T N 1.579 116.255 114.554 0.203 0.000 2.874 117 T HA 0.295 4.646 4.350 0.001 0.000 0.281 117 T C 1.021 175.750 174.700 0.048 0.000 0.994 117 T CA -0.560 61.599 62.100 0.099 0.000 1.015 117 T CB 0.896 69.693 68.868 -0.118 0.000 1.028 117 T HN 0.466 nan 8.240 nan 0.000 0.523 118 F N -0.042 119.952 119.950 0.073 0.000 2.451 118 F HA 0.285 4.813 4.527 0.001 0.000 0.299 118 F C 2.241 177.856 175.800 -0.308 0.000 1.101 118 F CA 0.079 57.876 58.000 -0.338 0.000 1.436 118 F CB -1.397 37.351 39.000 -0.421 0.000 1.074 118 F HN 0.642 nan 8.300 nan 0.000 0.553 119 A N 1.115 123.597 122.820 -0.564 0.000 1.872 119 A HA -0.103 4.218 4.320 0.001 0.000 0.214 119 A C 2.389 179.762 177.584 -0.353 0.000 1.187 119 A CA 1.285 52.966 52.037 -0.594 0.000 0.614 119 A CB -0.640 17.543 19.000 -1.361 0.000 0.826 119 A HN 0.233 nan 8.150 nan 0.000 0.442 120 K N -0.466 119.781 120.400 -0.255 0.000 2.057 120 K HA -0.095 4.225 4.320 0.001 0.000 0.207 120 K C 1.861 178.401 176.600 -0.101 0.000 1.049 120 K CA 1.139 57.349 56.287 -0.129 0.000 0.931 120 K CB -0.587 31.883 32.500 -0.050 0.000 0.714 120 K HN 0.326 nan 8.250 nan 0.000 0.440 121 L N 1.347 122.498 121.223 -0.120 0.000 1.970 121 L HA -0.176 4.165 4.340 0.001 0.000 0.212 121 L C 2.385 179.170 176.870 -0.142 0.000 1.071 121 L CA 1.502 56.260 54.840 -0.136 0.000 0.751 121 L CB -0.852 41.063 42.059 -0.240 0.000 0.889 121 L HN 0.153 nan 8.230 nan 0.000 0.432 122 L N -0.791 120.313 121.223 -0.198 0.000 2.083 122 L HA -0.238 4.103 4.340 0.001 0.000 0.209 122 L C 2.539 179.391 176.870 -0.029 0.000 1.083 122 L CA 1.341 56.029 54.840 -0.253 0.000 0.752 122 L CB -0.901 40.879 42.059 -0.466 0.000 0.899 122 L HN 0.409 nan 8.230 nan 0.000 0.433 123 K N 0.413 120.794 120.400 -0.031 0.000 2.103 123 K HA -0.210 4.111 4.320 0.001 0.000 0.207 123 K C 1.432 178.061 176.600 0.048 0.000 1.048 123 K CA 1.610 57.919 56.287 0.036 0.000 0.930 123 K CB 0.048 32.535 32.500 -0.021 0.000 0.716 123 K HN 0.282 nan 8.250 nan 0.000 0.444 124 D N 0.545 120.953 120.400 0.013 0.000 2.269 124 D HA -0.096 4.544 4.640 0.001 0.000 0.208 124 D C 1.437 177.763 176.300 0.042 0.000 0.963 124 D CA 0.732 54.742 54.000 0.018 0.000 0.864 124 D CB 0.113 40.911 40.800 -0.003 0.000 0.936 124 D HN 0.167 nan 8.370 nan 0.000 0.505 125 Q N -0.439 119.405 119.800 0.073 0.000 2.322 125 Q HA 0.223 4.563 4.340 0.001 0.000 0.203 125 Q C 1.248 177.338 176.000 0.149 0.000 0.923 125 Q CA 0.361 56.231 55.803 0.112 0.000 0.949 125 Q CB 0.551 29.381 28.738 0.153 0.000 1.039 125 Q HN 0.336 nan 8.270 nan 0.000 0.496 126 G N -0.097 108.782 108.800 0.132 0.000 2.175 126 G HA2 -0.299 3.662 3.960 0.001 0.000 0.244 126 G HA3 -0.299 3.662 3.960 0.001 0.000 0.244 126 G C -0.162 174.815 174.900 0.130 0.000 0.982 126 G CA -0.249 44.910 45.100 0.099 0.000 0.641 126 G HN 0.303 nan 8.290 nan 0.000 0.527 127 Y N 1.496 121.817 120.300 0.035 0.000 2.457 127 Y HA 0.466 5.017 4.550 0.001 0.000 0.341 127 Y C 1.302 177.279 175.900 0.128 0.000 1.240 127 Y CA 0.622 58.766 58.100 0.074 0.000 1.437 127 Y CB 0.964 39.467 38.460 0.071 0.000 1.328 127 Y HN 0.096 nan 8.280 nan 0.000 0.588 128 S N 1.470 117.383 115.700 0.354 0.000 2.430 128 S HA 0.291 4.762 4.470 0.001 0.000 0.289 128 S C -0.332 174.622 174.600 0.589 0.000 1.143 128 S CA -0.848 57.590 58.200 0.397 0.000 1.067 128 S CB -0.025 63.376 63.200 0.335 0.000 0.964 128 S HN 0.635 nan 8.310 nan 0.000 0.485 129 T N 0.656 115.463 114.554 0.423 0.000 2.824 129 T HA 0.839 5.189 4.350 0.001 0.000 0.280 129 T C -0.436 174.420 174.700 0.260 0.000 0.995 129 T CA -0.909 61.395 62.100 0.340 0.000 1.009 129 T CB 1.592 70.501 68.868 0.068 0.000 0.955 129 T HN 0.572 nan 8.240 nan 0.000 0.452 130 A N 2.830 125.726 122.820 0.126 0.000 2.486 130 A HA 0.755 5.076 4.320 0.001 0.000 0.300 130 A C -1.370 176.166 177.584 -0.080 0.000 1.048 130 A CA -0.935 50.990 52.037 -0.187 0.000 0.696 130 A CB 1.735 19.849 19.000 -1.476 0.000 1.278 130 A HN 0.975 nan 8.150 nan 0.000 0.405 131 L N 3.356 124.356 121.223 -0.371 0.000 2.319 131 L HA 0.661 5.001 4.340 0.001 0.000 0.281 131 L C -1.420 175.365 176.870 -0.141 0.000 1.005 131 L CA -0.352 54.142 54.840 -0.578 0.000 0.828 131 L CB 1.046 42.338 42.059 -1.278 0.000 1.227 131 L HN 0.539 nan 8.230 nan 0.000 0.415 132 I N 6.012 126.537 120.570 -0.076 0.000 2.355 132 I HA 0.763 4.934 4.170 0.001 0.000 0.288 132 I C 0.818 176.936 176.117 0.001 0.000 0.999 132 I CA 0.204 61.515 61.300 0.018 0.000 1.163 132 I CB 0.437 38.462 38.000 0.043 0.000 1.316 132 I HN 0.856 nan 8.210 nan 0.000 0.454 133 G N 7.031 115.830 108.800 -0.001 0.000 2.545 133 G HA2 -0.153 3.807 3.960 0.001 0.000 0.211 133 G HA3 -0.153 3.807 3.960 0.001 0.000 0.211 133 G C -0.312 174.607 174.900 0.031 0.000 1.167 133 G CA -0.592 44.500 45.100 -0.014 0.000 1.151 133 G HN 0.613 nan 8.290 nan 0.000 0.581 134 K N 0.613 121.034 120.400 0.036 0.000 2.205 134 K HA 0.439 4.760 4.320 0.001 0.000 0.279 134 K C 0.742 177.441 176.600 0.165 0.000 1.027 134 K CA -0.449 55.872 56.287 0.056 0.000 0.932 134 K CB 0.793 33.283 32.500 -0.017 0.000 1.032 134 K HN 0.641 nan 8.250 nan 0.000 0.466 135 W N 4.385 125.630 121.300 -0.091 0.000 3.096 135 W HA -0.025 4.636 4.660 0.001 0.000 0.271 135 W C 0.026 176.567 176.519 0.037 0.000 0.983 135 W CA 0.736 58.004 57.345 -0.127 0.000 1.978 135 W CB 0.140 29.423 29.460 -0.295 0.000 1.175 135 W HN 0.939 nan 8.180 nan 0.000 0.559 136 H N 0.267 119.337 119.070 -0.001 0.000 2.886 136 H HA -0.174 4.382 4.556 0.001 0.000 0.294 136 H C -0.168 175.063 175.328 -0.163 0.000 1.246 136 H CA 0.668 56.681 56.048 -0.058 0.000 1.142 136 H CB -1.202 28.519 29.762 -0.068 0.000 1.358 136 H HN 0.136 nan 8.280 nan 0.000 0.406 137 L N 0.370 121.343 121.223 -0.415 0.000 3.366 137 L HA 0.376 4.716 4.340 0.001 0.000 0.304 137 L C 1.143 177.912 176.870 -0.168 0.000 1.292 137 L CA 0.401 54.962 54.840 -0.464 0.000 1.012 137 L CB 1.011 42.317 42.059 -1.255 0.000 1.414 137 L HN 0.562 nan 8.230 nan 0.000 0.603 138 G N 0.519 109.257 108.800 -0.103 0.000 2.710 138 G HA2 -0.222 3.738 3.960 0.001 0.000 0.668 138 G HA3 -0.222 3.738 3.960 0.001 0.000 0.668 138 G C -0.546 174.475 174.900 0.202 0.000 1.320 138 G CA 0.240 45.236 45.100 -0.173 0.000 0.860 138 G HN 0.108 nan 8.290 nan 0.000 0.538 139 M N -1.347 118.351 119.600 0.163 0.000 2.331 139 M HA 0.520 5.001 4.480 0.001 0.000 0.187 139 M C 0.877 177.248 176.300 0.119 0.000 1.915 139 M CA 1.186 56.608 55.300 0.203 0.000 1.082 139 M CB 0.488 33.179 32.600 0.152 0.000 1.445 139 M HN 0.882 nan 8.290 nan 0.000 0.602 140 S N -1.138 114.533 115.700 -0.048 0.000 2.689 140 S HA 0.451 4.922 4.470 0.001 0.000 0.306 140 S C -0.143 174.369 174.600 -0.146 0.000 1.104 140 S CA -1.098 56.990 58.200 -0.187 0.000 0.973 140 S CB 1.982 64.977 63.200 -0.343 0.000 1.121 140 S HN 0.603 nan 8.310 nan 0.000 0.523 141 c N -0.370 118.139 118.600 -0.153 0.000 2.617 141 c HA 0.262 4.833 4.570 0.001 0.000 0.297 141 c C 2.127 176.267 174.090 0.083 0.000 1.689 141 c CA 0.311 56.606 56.329 -0.056 0.000 2.073 141 c CB -1.071 41.379 42.510 -0.101 0.000 1.751 141 c HN 1.104 nan 8.230 nan 0.000 0.731 142 H N -0.091 118.974 119.070 -0.008 0.000 2.615 142 H HA 0.269 4.825 4.556 0.001 0.000 0.275 142 H C 0.720 176.089 175.328 0.068 0.000 0.981 142 H CA 1.304 57.381 56.048 0.049 0.000 1.252 142 H CB 0.265 30.015 29.762 -0.021 0.000 1.447 142 H HN 0.374 nan 8.280 nan 0.000 0.498 143 S N -0.357 115.301 115.700 -0.071 0.000 2.542 143 S HA 0.221 4.692 4.470 0.001 0.000 0.293 143 S C 0.819 175.315 174.600 -0.173 0.000 1.089 143 S CA -0.599 57.526 58.200 -0.126 0.000 0.961 143 S CB 1.395 64.553 63.200 -0.070 0.000 1.062 143 S HN 0.542 nan 8.310 nan 0.000 0.483 144 K N 1.271 121.569 120.400 -0.170 0.000 2.360 144 K HA -0.064 4.256 4.320 0.001 0.000 0.201 144 K C 0.837 177.125 176.600 -0.520 0.000 1.046 144 K CA 1.938 58.060 56.287 -0.275 0.000 0.940 144 K CB -0.661 31.733 32.500 -0.178 0.000 0.748 144 K HN 0.626 nan 8.250 nan 0.000 0.465 145 T N -1.608 112.694 114.554 -0.420 0.000 3.132 145 T HA 0.073 4.424 4.350 0.001 0.000 0.274 145 T C 0.649 175.183 174.700 -0.275 0.000 1.011 145 T CA -0.022 61.798 62.100 -0.466 0.000 0.899 145 T CB 0.281 69.126 68.868 -0.038 0.000 1.089 145 T HN 0.379 nan 8.240 nan 0.000 0.543 146 D N 1.303 121.533 120.400 -0.283 0.000 2.277 146 D HA -0.052 4.588 4.640 0.001 0.000 0.208 146 D C 0.752 177.043 176.300 -0.015 0.000 0.962 146 D CA -0.129 53.827 54.000 -0.072 0.000 0.865 146 D CB -1.028 39.745 40.800 -0.045 0.000 0.939 146 D HN 0.383 nan 8.370 nan 0.000 0.510 147 F N -0.247 119.599 119.950 -0.174 0.000 3.056 147 F HA -0.366 4.161 4.527 0.001 0.000 0.266 147 F C 2.105 177.715 175.800 -0.317 0.000 0.957 147 F CA 0.284 58.142 58.000 -0.237 0.000 0.894 147 F CB -2.382 36.401 39.000 -0.362 0.000 0.832 147 F HN 0.383 nan 8.300 nan 0.000 0.745 148 c N -2.060 116.490 118.600 -0.082 0.000 2.398 148 c HA -0.215 4.356 4.570 0.001 0.000 0.282 148 c C 2.006 176.110 174.090 0.023 0.000 1.275 148 c CA 1.911 58.203 56.329 -0.062 0.000 1.797 148 c CB -1.368 40.960 42.510 -0.303 0.000 1.991 148 c HN 0.727 nan 8.230 nan 0.000 0.505 149 H N -2.221 116.986 119.070 0.228 0.000 2.755 149 H HA 0.213 4.770 4.556 0.001 0.000 0.273 149 H C 0.772 176.353 175.328 0.422 0.000 1.055 149 H CA -0.235 56.033 56.048 0.367 0.000 1.191 149 H CB -0.155 29.745 29.762 0.230 0.000 1.536 149 H HN 0.528 nan 8.280 nan 0.000 0.529 150 H N 3.093 122.295 119.070 0.219 0.000 2.852 150 H HA -0.024 4.532 4.556 0.001 0.000 0.362 150 H C -1.540 173.605 175.328 -0.305 0.000 1.122 150 H CA -1.703 54.309 56.048 -0.058 0.000 1.419 150 H CB 1.333 31.109 29.762 0.024 0.000 1.401 150 H HN 0.123 nan 8.280 nan 0.000 0.609 151 P HA -0.164 nan 4.420 nan 0.000 0.218 151 P C 1.552 178.808 177.300 -0.074 0.000 1.148 151 P CA 0.762 63.233 63.100 -1.048 0.000 0.822 151 P CB 0.308 30.860 31.700 -1.913 0.000 0.784 152 L N -1.338 120.042 121.223 0.261 0.000 2.622 152 L HA -0.055 4.286 4.340 0.001 0.000 0.233 152 L C 1.916 179.002 176.870 0.360 0.000 1.156 152 L CA 1.428 56.374 54.840 0.178 0.000 0.866 152 L CB -1.431 40.531 42.059 -0.162 0.000 0.980 152 L HN 0.176 nan 8.230 nan 0.000 0.448 153 H N -2.561 116.588 119.070 0.132 0.000 2.528 153 H HA 0.253 4.810 4.556 0.001 0.000 0.282 153 H C 0.128 175.380 175.328 -0.126 0.000 1.097 153 H CA -0.075 55.995 56.048 0.037 0.000 1.121 153 H CB 0.584 30.389 29.762 0.071 0.000 1.590 153 H HN 0.271 nan 8.280 nan 0.000 0.553 154 H N -0.385 118.798 119.070 0.188 0.000 2.767 154 H HA 0.162 4.718 4.556 0.001 0.000 0.235 154 H C 1.053 176.351 175.328 -0.050 0.000 1.256 154 H CA 0.606 56.734 56.048 0.132 0.000 0.957 154 H CB 0.988 30.925 29.762 0.292 0.000 2.117 154 H HN 0.662 nan 8.280 nan 0.000 0.602 155 G N 0.585 109.361 108.800 -0.041 0.000 2.194 155 G HA2 -0.254 3.707 3.960 0.001 0.000 0.236 155 G HA3 -0.254 3.707 3.960 0.001 0.000 0.236 155 G C -0.150 174.515 174.900 -0.392 0.000 0.987 155 G CA -0.348 44.606 45.100 -0.244 0.000 0.635 155 G HN 0.176 nan 8.290 nan 0.000 0.520 156 F N 1.379 121.307 119.950 -0.037 0.000 2.408 156 F HA 0.543 5.071 4.527 0.001 0.000 0.344 156 F C 1.239 177.034 175.800 -0.009 0.000 1.112 156 F CA -0.974 56.996 58.000 -0.048 0.000 1.096 156 F CB 1.290 40.196 39.000 -0.156 0.000 1.129 156 F HN -0.141 nan 8.300 nan 0.000 0.486 157 N N 1.616 120.442 118.700 0.211 0.000 2.415 157 N HA -0.089 4.652 4.740 0.001 0.000 0.176 157 N C -0.754 174.892 175.510 0.227 0.000 1.042 157 N CA 0.738 53.897 53.050 0.181 0.000 0.902 157 N CB 0.202 38.808 38.487 0.199 0.000 0.986 157 N HN 0.573 nan 8.380 nan 0.000 0.447 158 Y N -0.311 120.032 120.300 0.073 0.000 2.504 158 Y HA 0.465 5.016 4.550 0.001 0.000 0.344 158 Y C -1.908 174.018 175.900 0.044 0.000 1.023 158 Y CA -1.564 56.548 58.100 0.021 0.000 1.020 158 Y CB 1.295 39.747 38.460 -0.014 0.000 1.282 158 Y HN -0.154 nan 8.280 nan 0.000 0.454 159 F N 7.400 126.807 119.950 -0.905 0.000 2.573 159 F HA 0.490 5.018 4.527 0.001 0.000 0.316 159 F C -2.562 172.786 175.800 -0.754 0.000 1.148 159 F CA -1.265 56.301 58.000 -0.724 0.000 0.940 159 F CB 1.059 39.748 39.000 -0.518 0.000 1.214 159 F HN 0.450 nan 8.300 nan 0.000 0.448 160 Y N 6.022 125.708 120.300 -1.024 0.000 2.329 160 Y HA 0.745 5.296 4.550 0.001 0.000 0.328 160 Y C -0.295 175.102 175.900 -0.839 0.000 0.992 160 Y CA 0.021 57.589 58.100 -0.886 0.000 1.151 160 Y CB 1.400 39.632 38.460 -0.380 0.000 1.150 160 Y HN 1.006 nan 8.280 nan 0.000 0.450 161 G N 4.851 112.712 108.800 -1.564 0.000 2.491 161 G HA2 0.191 4.152 3.960 0.001 0.000 0.183 161 G HA3 0.191 4.152 3.960 0.001 0.000 0.183 161 G C -1.745 172.737 174.900 -0.696 0.000 1.221 161 G CA -0.329 44.192 45.100 -0.966 0.000 0.996 161 G HN 1.060 nan 8.290 nan 0.000 0.474 162 I N -1.800 118.596 120.570 -0.288 0.000 2.498 162 I HA 0.755 4.926 4.170 0.001 0.000 0.290 162 I C 1.081 177.187 176.117 -0.019 0.000 1.032 162 I CA -0.025 61.135 61.300 -0.234 0.000 1.073 162 I CB 2.242 40.062 38.000 -0.301 0.000 1.251 162 I HN 0.623 nan 8.210 nan 0.000 0.426 163 S N 4.552 120.188 115.700 -0.108 0.000 2.383 163 S HA -0.097 4.373 4.470 0.001 0.000 0.227 163 S C 1.135 175.743 174.600 0.013 0.000 1.026 163 S CA 1.333 59.527 58.200 -0.009 0.000 0.981 163 S CB -0.096 63.066 63.200 -0.065 0.000 0.818 163 S HN 0.689 nan 8.310 nan 0.000 0.472 164 L N 0.287 121.419 121.223 -0.151 0.000 2.541 164 L HA 0.513 4.853 4.340 0.001 0.000 0.189 164 L C 0.650 177.274 176.870 -0.411 0.000 1.374 164 L CA 1.020 55.772 54.840 -0.147 0.000 2.938 164 L CB 0.329 42.283 42.059 -0.175 0.000 2.789 164 L HN 0.330 nan 8.230 nan 0.000 1.068 165 T N -1.496 112.748 114.554 -0.515 0.000 2.802 165 T HA 0.327 4.678 4.350 0.001 0.000 0.311 165 T C -1.408 173.040 174.700 -0.421 0.000 1.405 165 T CA -0.716 61.010 62.100 -0.623 0.000 1.016 165 T CB 0.962 69.187 68.868 -1.072 0.000 1.352 165 T HN 0.464 nan 8.240 nan 0.000 0.498 166 N N 1.370 119.832 118.700 -0.397 0.000 2.530 166 N HA 0.700 5.440 4.740 0.001 0.000 0.277 166 N C -1.079 174.358 175.510 -0.123 0.000 1.168 166 N CA -0.022 52.919 53.050 -0.183 0.000 0.979 166 N CB 0.257 38.723 38.487 -0.036 0.000 1.141 166 N HN 0.610 nan 8.380 nan 0.000 0.459 167 L N 1.252 122.528 121.223 0.090 0.000 2.600 167 L HA 0.432 4.773 4.340 0.001 0.000 0.257 167 L C 1.335 178.322 176.870 0.194 0.000 1.048 167 L CA -0.962 53.990 54.840 0.186 0.000 0.869 167 L CB 1.715 43.854 42.059 0.133 0.000 1.482 167 L HN 0.528 nan 8.230 nan 0.000 0.408 168 R N 0.015 120.614 120.500 0.166 0.000 2.096 168 R HA -0.175 4.166 4.340 0.001 0.000 0.240 168 R C 0.756 177.144 176.300 0.146 0.000 1.139 168 R CA 2.080 58.258 56.100 0.129 0.000 0.952 168 R CB -0.513 29.851 30.300 0.106 0.000 0.854 168 R HN 0.648 nan 8.270 nan 0.000 0.436 169 D N 0.411 120.923 120.400 0.186 0.000 2.354 169 D HA -0.108 4.532 4.640 0.001 0.000 0.216 169 D C 1.330 177.803 176.300 0.288 0.000 0.970 169 D CA 0.790 54.953 54.000 0.271 0.000 0.905 169 D CB -0.301 40.721 40.800 0.370 0.000 0.903 169 D HN 0.277 nan 8.370 nan 0.000 0.508 170 c N 0.323 119.073 118.600 0.249 0.000 2.481 170 c HA 0.094 4.664 4.570 0.001 0.000 0.275 170 c C 1.136 175.377 174.090 0.252 0.000 1.419 170 c CA -0.325 56.134 56.329 0.217 0.000 1.773 170 c CB -0.888 41.725 42.510 0.173 0.000 1.862 170 c HN 0.161 nan 8.230 nan 0.000 0.530 171 K N 1.819 122.319 120.400 0.167 0.000 2.535 171 K HA 0.253 4.573 4.320 0.001 0.000 0.253 171 K C -2.822 173.791 176.600 0.022 0.000 0.953 171 K CA -1.505 54.799 56.287 0.027 0.000 0.863 171 K CB 1.454 33.746 32.500 -0.346 0.000 1.111 171 K HN -0.071 nan 8.250 nan 0.000 0.431 172 P HA 0.014 nan 4.420 nan 0.000 0.257 172 P C 0.184 177.499 177.300 0.026 0.000 1.189 172 P CA 0.679 63.805 63.100 0.043 0.000 0.780 172 P CB 0.709 32.430 31.700 0.035 0.000 0.772 173 G N 2.373 111.201 108.800 0.046 0.000 3.942 173 G HA2 -0.019 3.941 3.960 0.001 0.000 0.219 173 G HA3 -0.019 3.941 3.960 0.001 0.000 0.219 173 G C -0.254 174.684 174.900 0.064 0.000 0.869 173 G CA -0.245 44.880 45.100 0.042 0.000 0.851 173 G HN 0.632 nan 8.290 nan 0.000 0.560 174 E N -1.202 119.047 120.200 0.082 0.000 2.429 174 E HA 0.554 4.904 4.350 0.001 0.000 0.277 174 E C 0.077 176.756 176.600 0.131 0.000 1.130 174 E CA -0.155 56.306 56.400 0.101 0.000 0.875 174 E CB 0.894 30.645 29.700 0.086 0.000 1.443 174 E HN 1.274 nan 8.360 nan 0.000 0.444 175 G N -0.260 108.623 108.800 0.138 0.000 4.726 175 G HA2 -0.089 3.872 3.960 0.001 0.000 0.222 175 G HA3 -0.089 3.872 3.960 0.001 0.000 0.222 175 G C 0.328 175.304 174.900 0.126 0.000 0.744 175 G CA 0.163 45.359 45.100 0.160 0.000 1.166 175 G HN 0.342 nan 8.290 nan 0.000 0.755 176 S N 0.438 116.181 115.700 0.073 0.000 2.889 176 S HA 0.050 4.520 4.470 0.001 0.000 0.235 176 S C 2.160 176.708 174.600 -0.087 0.000 0.978 176 S CA 0.841 59.044 58.200 0.004 0.000 1.010 176 S CB -0.238 62.916 63.200 -0.078 0.000 0.799 176 S HN 0.308 nan 8.310 nan 0.000 0.534 177 V N 0.162 120.011 119.914 -0.109 0.000 2.488 177 V HA -0.019 4.101 4.120 0.001 0.000 0.246 177 V C 1.407 177.273 176.094 -0.380 0.000 1.046 177 V CA 1.547 63.719 62.300 -0.213 0.000 1.053 177 V CB -0.463 31.064 31.823 -0.493 0.000 0.679 177 V HN 0.676 nan 8.190 nan 0.000 0.458 178 F N -0.472 119.314 119.950 -0.273 0.000 2.746 178 F HA 0.014 4.542 4.527 0.001 0.000 0.297 178 F C 2.299 177.638 175.800 -0.767 0.000 1.113 178 F CA 0.463 58.077 58.000 -0.644 0.000 1.367 178 F CB -0.580 37.704 39.000 -1.194 0.000 1.111 178 F HN 0.035 nan 8.300 nan 0.000 0.590 179 T N -0.217 114.203 114.554 -0.222 0.000 2.594 179 T HA -0.315 4.036 4.350 0.001 0.000 0.266 179 T C 2.032 176.769 174.700 0.062 0.000 1.070 179 T CA 2.438 64.572 62.100 0.056 0.000 1.166 179 T CB -0.838 68.116 68.868 0.144 0.000 0.862 179 T HN 0.247 nan 8.240 nan 0.000 0.436 180 T N 0.828 115.423 114.554 0.068 0.000 2.721 180 T HA -0.125 4.226 4.350 0.001 0.000 0.268 180 T C 2.115 176.865 174.700 0.083 0.000 1.038 180 T CA 1.545 63.714 62.100 0.114 0.000 1.145 180 T CB -0.820 68.148 68.868 0.166 0.000 0.858 180 T HN 0.605 nan 8.240 nan 0.000 0.459 181 G N -0.418 108.392 108.800 0.016 0.000 2.408 181 G HA2 0.010 3.970 3.960 0.001 0.000 0.215 181 G HA3 0.010 3.970 3.960 0.001 0.000 0.215 181 G C 1.347 176.229 174.900 -0.030 0.000 1.156 181 G CA -0.114 44.988 45.100 0.003 0.000 0.793 181 G HN 0.516 nan 8.290 nan 0.000 0.535 182 F N 0.961 120.799 119.950 -0.186 0.000 2.161 182 F HA -0.078 4.449 4.527 0.001 0.000 0.300 182 F C 2.844 178.210 175.800 -0.723 0.000 1.089 182 F CA 1.032 58.700 58.000 -0.554 0.000 1.282 182 F CB 0.076 38.723 39.000 -0.588 0.000 1.010 182 F HN 0.082 nan 8.300 nan 0.000 0.485 183 K N 0.071 120.418 120.400 -0.087 0.000 2.002 183 K HA -0.128 4.192 4.320 0.001 0.000 0.209 183 K C 2.079 178.699 176.600 0.033 0.000 1.048 183 K CA 1.078 57.415 56.287 0.083 0.000 0.930 183 K CB -0.103 32.514 32.500 0.195 0.000 0.714 183 K HN -0.025 nan 8.250 nan 0.000 0.438 184 R N 0.572 121.090 120.500 0.030 0.000 2.090 184 R HA 0.001 4.342 4.340 0.001 0.000 0.228 184 R C 2.213 178.507 176.300 -0.011 0.000 1.110 184 R CA 1.125 57.241 56.100 0.027 0.000 0.973 184 R CB -0.437 29.892 30.300 0.049 0.000 0.869 184 R HN 0.249 nan 8.270 nan 0.000 0.440 185 L N -0.201 120.995 121.223 -0.044 0.000 2.416 185 L HA 0.053 4.394 4.340 0.001 0.000 0.216 185 L C 2.149 178.953 176.870 -0.110 0.000 1.098 185 L CA 0.304 55.109 54.840 -0.057 0.000 0.840 185 L CB 0.120 42.159 42.059 -0.033 0.000 0.981 185 L HN -0.010 nan 8.230 nan 0.000 0.462 186 V N -2.733 117.045 119.914 -0.226 0.000 3.161 186 V HA 0.084 4.205 4.120 0.001 0.000 0.221 186 V C 1.992 177.988 176.094 -0.164 0.000 1.296 186 V CA 0.222 62.348 62.300 -0.289 0.000 1.306 186 V CB -0.231 31.258 31.823 -0.557 0.000 1.171 186 V HN 0.157 nan 8.190 nan 0.000 0.513 187 F N 0.517 120.342 119.950 -0.208 0.000 2.043 187 F HA -0.166 4.361 4.527 0.001 0.000 0.297 187 F C 2.445 178.192 175.800 -0.090 0.000 1.121 187 F CA 2.016 59.916 58.000 -0.167 0.000 1.199 187 F CB -0.487 38.436 39.000 -0.127 0.000 0.968 187 F HN 0.347 nan 8.300 nan 0.000 0.478 188 L N 2.138 123.450 121.223 0.149 0.000 2.012 188 L HA -0.105 4.236 4.340 0.001 0.000 0.210 188 L C -0.641 176.251 176.870 0.038 0.000 1.073 188 L CA 2.125 57.012 54.840 0.079 0.000 0.748 188 L CB -1.997 40.101 42.059 0.064 0.000 0.891 188 L HN -0.114 nan 8.230 nan 0.000 0.431 189 P HA -0.127 nan 4.420 nan 0.000 0.225 189 P C 2.001 179.301 177.300 0.000 0.000 1.156 189 P CA 0.791 63.892 63.100 0.001 0.000 0.787 189 P CB -0.012 31.680 31.700 -0.013 0.000 0.802 190 L N 0.268 121.494 121.223 0.006 0.000 2.141 190 L HA -0.057 4.284 4.340 0.001 0.000 0.209 190 L C 2.601 179.476 176.870 0.008 0.000 1.094 190 L CA 1.750 56.591 54.840 0.003 0.000 0.763 190 L CB -1.416 40.650 42.059 0.012 0.000 0.908 190 L HN -0.058 nan 8.230 nan 0.000 0.437 191 Q N -0.817 118.993 119.800 0.017 0.000 2.137 191 Q HA -0.128 4.212 4.340 0.001 0.000 0.198 191 Q C 2.279 178.285 176.000 0.009 0.000 0.960 191 Q CA 1.362 57.172 55.803 0.011 0.000 0.847 191 Q CB 0.066 28.814 28.738 0.017 0.000 0.915 191 Q HN 0.543 nan 8.270 nan 0.000 0.448 192 I N 0.058 120.633 120.570 0.009 0.000 2.142 192 I HA -0.277 3.894 4.170 0.001 0.000 0.240 192 I C 2.317 178.436 176.117 0.002 0.000 1.078 192 I CA 0.897 62.200 61.300 0.005 0.000 1.343 192 I CB -0.365 37.637 38.000 0.003 0.000 1.046 192 I HN 0.053 nan 8.210 nan 0.000 0.405 193 V N 1.233 121.148 119.914 0.001 0.000 2.287 193 V HA -0.263 3.858 4.120 0.001 0.000 0.248 193 V C 2.612 178.713 176.094 0.011 0.000 1.053 193 V CA 2.316 64.617 62.300 0.001 0.000 1.027 193 V CB -1.554 30.267 31.823 -0.004 0.000 0.646 193 V HN 0.596 nan 8.190 nan 0.000 0.447 194 G N -0.365 108.443 108.800 0.012 0.000 2.480 194 G HA2 -0.232 3.729 3.960 0.001 0.000 0.216 194 G HA3 -0.232 3.729 3.960 0.001 0.000 0.216 194 G C 1.709 176.623 174.900 0.025 0.000 1.200 194 G CA 1.277 46.388 45.100 0.019 0.000 0.782 194 G HN 0.356 nan 8.290 nan 0.000 0.554 195 V N 0.889 120.812 119.914 0.016 0.000 2.287 195 V HA -0.204 3.917 4.120 0.001 0.000 0.248 195 V C 3.205 179.310 176.094 0.019 0.000 1.053 195 V CA 2.440 64.750 62.300 0.016 0.000 1.027 195 V CB -0.930 30.899 31.823 0.010 0.000 0.646 195 V HN 0.418 nan 8.190 nan 0.000 0.447 196 T N 0.066 114.627 114.554 0.011 0.000 2.720 196 T HA -0.229 4.122 4.350 0.001 0.000 0.268 196 T C 1.848 176.553 174.700 0.009 0.000 1.037 196 T CA 1.963 64.062 62.100 -0.001 0.000 1.144 196 T CB -0.295 68.563 68.868 -0.017 0.000 0.864 196 T HN 0.367 nan 8.240 nan 0.000 0.444 197 L N 0.112 121.360 121.223 0.041 0.000 2.109 197 L HA 0.086 4.426 4.340 0.001 0.000 0.207 197 L C 2.204 179.174 176.870 0.166 0.000 1.086 197 L CA 1.054 55.964 54.840 0.116 0.000 0.760 197 L CB -0.197 41.950 42.059 0.147 0.000 0.910 197 L HN 0.246 nan 8.230 nan 0.000 0.437 198 L N -1.023 120.260 121.223 0.099 0.000 2.056 198 L HA -0.210 4.131 4.340 0.001 0.000 0.207 198 L C 2.639 179.559 176.870 0.084 0.000 1.078 198 L CA 1.821 56.713 54.840 0.086 0.000 0.749 198 L CB -0.740 41.348 42.059 0.049 0.000 0.901 198 L HN 0.344 nan 8.230 nan 0.000 0.433 199 T N -0.685 113.906 114.554 0.061 0.000 2.857 199 T HA -0.119 4.232 4.350 0.001 0.000 0.266 199 T C 1.836 176.571 174.700 0.059 0.000 1.048 199 T CA 0.785 62.913 62.100 0.047 0.000 1.139 199 T CB 0.053 68.935 68.868 0.024 0.000 0.874 199 T HN 0.014 nan 8.240 nan 0.000 0.455 200 L N 1.293 122.551 121.223 0.059 0.000 2.093 200 L HA 0.266 4.607 4.340 0.001 0.000 0.208 200 L C 2.818 179.814 176.870 0.209 0.000 1.085 200 L CA 1.687 56.547 54.840 0.035 0.000 0.755 200 L CB -1.360 40.608 42.059 -0.151 0.000 0.904 200 L HN 0.378 nan 8.230 nan 0.000 0.435 201 A N -1.071 121.940 122.820 0.318 0.000 1.898 201 A HA -0.070 4.250 4.320 0.001 0.000 0.216 201 A C 2.460 180.132 177.584 0.147 0.000 1.181 201 A CA 1.548 53.764 52.037 0.298 0.000 0.620 201 A CB -0.782 18.318 19.000 0.166 0.000 0.819 201 A HN 0.403 nan 8.150 nan 0.000 0.442 202 A N -0.472 122.409 122.820 0.102 0.000 1.873 202 A HA 0.019 4.339 4.320 0.001 0.000 0.215 202 A C 1.986 179.609 177.584 0.064 0.000 1.186 202 A CA 1.631 53.707 52.037 0.065 0.000 0.616 202 A CB -0.529 18.499 19.000 0.047 0.000 0.823 202 A HN 0.367 nan 8.150 nan 0.000 0.442 203 L N 0.925 122.188 121.223 0.066 0.000 2.012 203 L HA -0.184 4.156 4.340 0.001 0.000 0.210 203 L C 2.390 179.302 176.870 0.071 0.000 1.073 203 L CA 2.029 56.902 54.840 0.055 0.000 0.748 203 L CB -1.545 40.538 42.059 0.040 0.000 0.891 203 L HN 0.596 nan 8.230 nan 0.000 0.431 204 N N -0.639 118.122 118.700 0.103 0.000 2.120 204 N HA -0.218 4.522 4.740 0.001 0.000 0.188 204 N C 2.170 177.741 175.510 0.101 0.000 1.024 204 N CA 1.706 54.830 53.050 0.123 0.000 0.852 204 N CB -0.158 38.452 38.487 0.205 0.000 1.003 204 N HN 0.484 nan 8.380 nan 0.000 0.424 205 C N 0.702 120.053 119.300 0.085 0.000 2.435 205 C HA 0.092 4.553 4.460 0.001 0.000 0.279 205 C C 2.545 177.564 174.990 0.047 0.000 1.321 205 C CA 0.185 59.237 59.018 0.056 0.000 1.752 205 C CB -1.334 26.430 27.740 0.040 0.000 1.959 205 C HN 0.474 nan 8.230 nan 0.000 0.500 206 L N 0.968 122.220 121.223 0.048 0.000 2.599 206 L HA 0.231 4.572 4.340 0.001 0.000 0.230 206 L C 1.849 178.743 176.870 0.040 0.000 1.141 206 L CA 0.896 55.759 54.840 0.038 0.000 0.877 206 L CB -0.641 41.438 42.059 0.034 0.000 1.009 206 L HN 0.584 nan 8.230 nan 0.000 0.447 207 G N 0.605 109.436 108.800 0.051 0.000 2.221 207 G HA2 -0.283 3.677 3.960 0.001 0.000 0.265 207 G HA3 -0.283 3.677 3.960 0.001 0.000 0.265 207 G C 0.421 175.349 174.900 0.047 0.000 1.041 207 G CA 0.307 45.438 45.100 0.052 0.000 0.807 207 G HN 0.380 nan 8.290 nan 0.000 0.502 208 L N -1.360 119.891 121.223 0.048 0.000 2.766 208 L HA 0.662 5.002 4.340 0.001 0.000 0.242 208 L C 0.268 177.165 176.870 0.045 0.000 1.136 208 L CA -0.140 54.724 54.840 0.040 0.000 0.933 208 L CB 0.773 42.851 42.059 0.032 0.000 1.241 208 L HN 0.361 nan 8.230 nan 0.000 0.522 209 L N -0.927 120.334 121.223 0.062 0.000 2.830 209 L HA 0.338 4.679 4.340 0.001 0.000 0.259 209 L C -1.333 175.600 176.870 0.105 0.000 0.926 209 L CA -0.629 54.251 54.840 0.067 0.000 0.993 209 L CB 0.887 42.964 42.059 0.030 0.000 1.589 209 L HN 0.054 nan 8.230 nan 0.000 0.460 210 H N 4.167 123.255 119.070 0.030 0.000 2.723 210 H HA 0.684 5.240 4.556 0.001 0.000 0.294 210 H C -1.321 174.030 175.328 0.039 0.000 1.079 210 H CA -0.241 55.833 56.048 0.043 0.000 1.411 210 H CB 1.041 30.823 29.762 0.033 0.000 1.439 210 H HN 0.433 nan 8.280 nan 0.000 0.474 211 V N 9.423 129.127 119.914 -0.349 0.000 2.311 211 V HA 0.259 4.380 4.120 0.001 0.000 0.275 211 V C -1.956 173.913 176.094 -0.375 0.000 1.022 211 V CA -1.686 60.405 62.300 -0.348 0.000 0.830 211 V CB 0.827 32.527 31.823 -0.206 0.000 1.012 211 V HN 0.849 nan 8.190 nan 0.000 0.452 212 P HA 0.145 nan 4.420 nan 0.000 0.268 212 P C 1.080 178.407 177.300 0.045 0.000 1.204 212 P CA -0.151 62.849 63.100 -0.168 0.000 0.768 212 P CB 1.395 33.043 31.700 -0.086 0.000 0.842 213 L N 2.728 124.042 121.223 0.151 0.000 2.197 213 L HA -0.218 4.122 4.340 0.001 0.000 0.215 213 L C 2.686 179.686 176.870 0.216 0.000 1.095 213 L CA 2.201 57.182 54.840 0.235 0.000 0.764 213 L CB -1.130 41.018 42.059 0.147 0.000 0.897 213 L HN 0.572 nan 8.230 nan 0.000 0.436 214 G N -1.156 107.716 108.800 0.120 0.000 2.470 214 G HA2 -0.153 3.808 3.960 0.001 0.000 0.220 214 G HA3 -0.153 3.808 3.960 0.001 0.000 0.220 214 G C 1.489 176.487 174.900 0.164 0.000 1.121 214 G CA 0.923 46.100 45.100 0.127 0.000 0.766 214 G HN 0.276 nan 8.290 nan 0.000 0.553 215 V N -0.331 119.612 119.914 0.048 0.000 2.500 215 V HA 0.097 4.218 4.120 0.001 0.000 0.243 215 V C 2.313 178.372 176.094 -0.059 0.000 1.039 215 V CA 0.809 63.070 62.300 -0.064 0.000 1.053 215 V CB -0.550 31.130 31.823 -0.239 0.000 0.695 215 V HN 0.342 nan 8.190 nan 0.000 0.463 216 F N -0.282 119.709 119.950 0.067 0.000 2.171 216 F HA -0.180 4.348 4.527 0.001 0.000 0.300 216 F C 2.185 178.041 175.800 0.095 0.000 1.090 216 F CA 2.094 60.132 58.000 0.063 0.000 1.293 216 F CB -0.440 38.595 39.000 0.058 0.000 1.013 216 F HN 0.212 nan 8.300 nan 0.000 0.486 217 F N 0.748 120.813 119.950 0.191 0.000 2.102 217 F HA -0.214 4.313 4.527 0.001 0.000 0.298 217 F C 2.426 178.306 175.800 0.133 0.000 1.105 217 F CA 1.803 59.883 58.000 0.133 0.000 1.239 217 F CB -0.877 38.165 39.000 0.070 0.000 0.991 217 F HN -0.218 nan 8.300 nan 0.000 0.474 218 S N 1.069 116.731 115.700 -0.064 0.000 2.399 218 S HA -0.147 4.324 4.470 0.001 0.000 0.231 218 S C 2.064 176.621 174.600 -0.073 0.000 1.022 218 S CA 1.557 59.674 58.200 -0.139 0.000 0.983 218 S CB -0.520 62.697 63.200 0.027 0.000 0.803 218 S HN 0.416 nan 8.310 nan 0.000 0.480 219 L N 0.543 121.747 121.223 -0.030 0.000 2.131 219 L HA 0.056 4.397 4.340 0.001 0.000 0.206 219 L C 2.171 179.036 176.870 -0.009 0.000 1.087 219 L CA 0.674 55.511 54.840 -0.006 0.000 0.767 219 L CB -0.460 41.607 42.059 0.014 0.000 0.917 219 L HN 0.257 nan 8.230 nan 0.000 0.441 220 L N -1.072 120.148 121.223 -0.006 0.000 2.017 220 L HA -0.247 4.093 4.340 0.001 0.000 0.208 220 L C 2.576 179.412 176.870 -0.057 0.000 1.073 220 L CA 1.365 56.201 54.840 -0.007 0.000 0.745 220 L CB -0.531 41.549 42.059 0.034 0.000 0.894 220 L HN 0.172 nan 8.230 nan 0.000 0.432 221 F N 0.489 120.240 119.950 -0.332 0.000 2.095 221 F HA -0.281 4.247 4.527 0.001 0.000 0.298 221 F C 2.238 177.932 175.800 -0.177 0.000 1.104 221 F CA 1.650 59.446 58.000 -0.341 0.000 1.232 221 F CB -0.211 38.394 39.000 -0.660 0.000 0.987 221 F HN -0.064 nan 8.300 nan 0.000 0.475 222 L N 0.614 121.764 121.223 -0.122 0.000 2.093 222 L HA 0.006 4.346 4.340 0.001 0.000 0.208 222 L C 2.405 179.179 176.870 -0.161 0.000 1.085 222 L CA 2.016 56.765 54.840 -0.152 0.000 0.755 222 L CB -1.347 40.700 42.059 -0.021 0.000 0.904 222 L HN 0.164 nan 8.230 nan 0.000 0.435 223 A N -0.552 122.205 122.820 -0.107 0.000 1.898 223 A HA -0.045 4.276 4.320 0.001 0.000 0.216 223 A C 2.447 179.975 177.584 -0.092 0.000 1.181 223 A CA 1.611 53.604 52.037 -0.072 0.000 0.620 223 A CB -1.107 17.872 19.000 -0.034 0.000 0.819 223 A HN 0.547 nan 8.150 nan 0.000 0.442 224 A N -0.533 122.207 122.820 -0.134 0.000 1.902 224 A HA -0.026 4.295 4.320 0.001 0.000 0.217 224 A C 2.130 179.611 177.584 -0.171 0.000 1.181 224 A CA 1.749 53.708 52.037 -0.129 0.000 0.623 224 A CB -0.619 18.299 19.000 -0.136 0.000 0.818 224 A HN 0.576 nan 8.150 nan 0.000 0.443 225 L N 0.147 121.183 121.223 -0.311 0.000 1.994 225 L HA -0.114 4.227 4.340 0.001 0.000 0.208 225 L C 2.316 179.110 176.870 -0.126 0.000 1.071 225 L CA 1.843 56.514 54.840 -0.282 0.000 0.745 225 L CB -0.556 41.234 42.059 -0.449 0.000 0.892 225 L HN 0.455 nan 8.230 nan 0.000 0.431 226 I N -1.123 119.384 120.570 -0.105 0.000 2.151 226 I HA -0.317 3.853 4.170 0.001 0.000 0.243 226 I C 2.369 178.498 176.117 0.020 0.000 1.080 226 I CA 1.250 62.526 61.300 -0.041 0.000 1.339 226 I CB -0.474 37.496 38.000 -0.050 0.000 1.039 226 I HN 0.315 nan 8.210 nan 0.000 0.409 227 L N 0.387 121.620 121.223 0.017 0.000 2.083 227 L HA -0.167 4.174 4.340 0.001 0.000 0.209 227 L C 2.494 179.429 176.870 0.109 0.000 1.083 227 L CA 2.071 56.968 54.840 0.095 0.000 0.752 227 L CB -0.871 41.224 42.059 0.060 0.000 0.899 227 L HN 0.181 nan 8.230 nan 0.000 0.433 228 T N -0.307 114.268 114.554 0.034 0.000 2.708 228 T HA -0.163 4.187 4.350 0.001 0.000 0.266 228 T C 1.979 176.709 174.700 0.051 0.000 1.037 228 T CA 1.732 63.846 62.100 0.025 0.000 1.146 228 T CB -0.345 68.518 68.868 -0.008 0.000 0.865 228 T HN 0.276 nan 8.240 nan 0.000 0.435 229 L N 0.043 121.303 121.223 0.062 0.000 2.012 229 L HA -0.083 4.258 4.340 0.001 0.000 0.210 229 L C 2.337 179.292 176.870 0.141 0.000 1.073 229 L CA 1.483 56.380 54.840 0.094 0.000 0.748 229 L CB -0.646 41.461 42.059 0.079 0.000 0.891 229 L HN 0.199 nan 8.230 nan 0.000 0.431 230 F N 0.749 120.688 119.950 -0.019 0.000 2.102 230 F HA -0.214 4.313 4.527 0.001 0.000 0.298 230 F C 2.186 177.982 175.800 -0.005 0.000 1.105 230 F CA 1.499 59.453 58.000 -0.076 0.000 1.239 230 F CB -0.328 38.574 39.000 -0.163 0.000 0.991 230 F HN -0.128 nan 8.300 nan 0.000 0.474 231 L N -0.090 121.035 121.223 -0.165 0.000 2.046 231 L HA -0.126 4.215 4.340 0.001 0.000 0.208 231 L C 2.827 179.611 176.870 -0.144 0.000 1.077 231 L CA 1.308 56.003 54.840 -0.241 0.000 0.747 231 L CB -1.607 40.401 42.059 -0.084 0.000 0.896 231 L HN 0.351 nan 8.230 nan 0.000 0.432 232 G N -0.322 108.468 108.800 -0.017 0.000 2.446 232 G HA2 -0.338 3.623 3.960 0.001 0.000 0.217 232 G HA3 -0.338 3.623 3.960 0.001 0.000 0.217 232 G C 1.513 176.488 174.900 0.124 0.000 1.168 232 G CA 0.738 45.892 45.100 0.090 0.000 0.771 232 G HN 0.289 nan 8.290 nan 0.000 0.551 233 F N 1.095 121.010 119.950 -0.057 0.000 2.065 233 F HA -0.082 4.446 4.527 0.001 0.000 0.298 233 F C 2.573 178.348 175.800 -0.042 0.000 1.112 233 F CA 1.448 59.428 58.000 -0.034 0.000 1.212 233 F CB -0.165 38.818 39.000 -0.029 0.000 0.975 233 F HN 0.040 nan 8.300 nan 0.000 0.476 234 L N -0.651 120.611 121.223 0.065 0.000 2.079 234 L HA -0.301 4.040 4.340 0.001 0.000 0.210 234 L C 2.648 179.489 176.870 -0.049 0.000 1.081 234 L CA 1.756 56.582 54.840 -0.023 0.000 0.752 234 L CB -1.015 40.863 42.059 -0.302 0.000 0.896 234 L HN 0.362 nan 8.230 nan 0.000 0.433 235 H N -0.909 118.018 119.070 -0.238 0.000 2.436 235 H HA -0.130 4.426 4.556 0.001 0.000 0.294 235 H C 1.706 176.767 175.328 -0.444 0.000 1.048 235 H CA 1.623 57.438 56.048 -0.387 0.000 1.353 235 H CB 0.310 29.711 29.762 -0.602 0.000 1.414 235 H HN 0.370 nan 8.280 nan 0.000 0.536 236 Y N -1.475 118.759 120.300 -0.110 0.000 2.507 236 Y HA -0.033 4.518 4.550 0.001 0.000 0.263 236 Y C 2.168 177.890 175.900 -0.297 0.000 1.093 236 Y CA -0.115 57.856 58.100 -0.215 0.000 1.285 236 Y CB -0.078 38.260 38.460 -0.202 0.000 1.115 236 Y HN 0.046 nan 8.280 nan 0.000 0.533 237 F N 1.773 121.522 119.950 -0.336 0.000 2.063 237 F HA -0.317 4.210 4.527 0.001 0.000 0.298 237 F C 2.648 178.355 175.800 -0.155 0.000 1.109 237 F CA 2.094 59.846 58.000 -0.413 0.000 1.212 237 F CB -0.284 38.342 39.000 -0.623 0.000 0.973 237 F HN -0.106 nan 8.300 nan 0.000 0.480 238 R N 0.222 120.696 120.500 -0.043 0.000 2.083 238 R HA -0.158 4.183 4.340 0.001 0.000 0.237 238 R C -0.795 175.429 176.300 -0.126 0.000 1.137 238 R CA 2.173 58.245 56.100 -0.046 0.000 0.951 238 R CB -1.534 28.802 30.300 0.062 0.000 0.851 238 R HN 0.240 nan 8.270 nan 0.000 0.434 239 P HA -0.069 nan 4.420 nan 0.000 0.218 239 P C 0.869 178.150 177.300 -0.031 0.000 1.152 239 P CA 1.110 64.177 63.100 -0.056 0.000 0.826 239 P CB 0.058 31.729 31.700 -0.049 0.000 0.790 240 L N -1.301 119.864 121.223 -0.097 0.000 2.492 240 L HA 0.071 4.411 4.340 0.001 0.000 0.223 240 L C 1.302 178.197 176.870 0.042 0.000 1.132 240 L CA 0.942 55.756 54.840 -0.042 0.000 0.850 240 L CB -0.371 41.622 42.059 -0.111 0.000 0.966 240 L HN 0.064 nan 8.230 nan 0.000 0.454 241 N N -1.464 117.117 118.700 -0.199 0.000 2.145 241 N HA 0.123 4.864 4.740 0.001 0.000 0.219 241 N C -0.232 175.099 175.510 -0.297 0.000 1.266 241 N CA 0.062 52.920 53.050 -0.320 0.000 0.902 241 N CB 1.203 39.151 38.487 -0.899 0.000 1.078 241 N HN 0.164 nan 8.380 nan 0.000 0.513 242 c N 2.379 120.891 118.600 -0.145 0.000 2.647 242 c HA 0.566 5.136 4.570 0.001 0.000 0.273 242 c C -0.460 173.609 174.090 -0.035 0.000 1.088 242 c CA -1.026 55.203 56.329 -0.167 0.000 1.529 242 c CB -2.052 40.392 42.510 -0.110 0.000 1.810 242 c HN 0.257 nan 8.230 nan 0.000 0.422 243 F N -0.385 119.461 119.950 -0.174 0.000 2.643 243 F HA 0.854 5.381 4.527 0.001 0.000 0.314 243 F C -0.777 174.900 175.800 -0.206 0.000 1.096 243 F CA -1.593 56.305 58.000 -0.170 0.000 0.953 243 F CB 0.824 39.751 39.000 -0.122 0.000 1.345 243 F HN -0.031 nan 8.300 nan 0.000 0.468 244 M N 2.984 122.578 119.600 -0.010 0.000 2.264 244 M HA 0.503 4.983 4.480 0.001 0.000 0.352 244 M C -0.824 175.393 176.300 -0.139 0.000 1.173 244 M CA -0.218 54.950 55.300 -0.220 0.000 1.075 244 M CB 1.626 34.068 32.600 -0.264 0.000 1.621 244 M HN 0.811 nan 8.290 nan 0.000 0.457 245 M N 1.796 121.174 119.600 -0.371 0.000 2.644 245 M HA 0.560 5.041 4.480 0.001 0.000 0.304 245 M C -0.534 175.419 176.300 -0.578 0.000 1.215 245 M CA -0.873 54.242 55.300 -0.309 0.000 0.871 245 M CB 3.105 35.615 32.600 -0.149 0.000 1.740 245 M HN 0.520 nan 8.290 nan 0.000 0.464 246 R N 1.877 122.171 120.500 -0.344 0.000 2.521 246 R HA 0.477 4.817 4.340 0.001 0.000 0.295 246 R C -0.550 175.588 176.300 -0.271 0.000 1.183 246 R CA 0.080 55.976 56.100 -0.339 0.000 0.957 246 R CB 0.309 30.550 30.300 -0.097 0.000 1.171 246 R HN 0.961 nan 8.270 nan 0.000 0.494 247 N N 1.379 119.884 118.700 -0.325 0.000 1.347 247 N HA -0.356 4.385 4.740 0.001 0.000 0.148 247 N C -0.507 174.794 175.510 -0.347 0.000 0.780 247 N CA 1.825 54.675 53.050 -0.334 0.000 1.015 247 N CB -0.935 37.320 38.487 -0.387 0.000 1.262 247 N HN 0.516 nan 8.380 nan 0.000 0.496 248 Y N 1.965 122.074 120.300 -0.319 0.000 2.495 248 Y HA 0.389 4.939 4.550 0.001 0.000 0.293 248 Y C 0.044 175.835 175.900 -0.183 0.000 1.186 248 Y CA 0.453 58.216 58.100 -0.562 0.000 1.266 248 Y CB 0.088 38.077 38.460 -0.785 0.000 1.101 248 Y HN 0.177 nan 8.280 nan 0.000 0.517 249 E N -0.143 120.078 120.200 0.035 0.000 2.317 249 E HA 0.432 4.783 4.350 0.001 0.000 0.270 249 E C -0.896 175.739 176.600 0.058 0.000 0.885 249 E CA -0.867 55.575 56.400 0.070 0.000 0.760 249 E CB 2.408 32.132 29.700 0.040 0.000 1.227 249 E HN 0.010 nan 8.360 nan 0.000 0.434 250 I N 4.018 124.620 120.570 0.053 0.000 2.496 250 I HA 0.074 4.245 4.170 0.001 0.000 0.285 250 I C 1.256 177.372 176.117 -0.002 0.000 1.080 250 I CA 0.373 61.692 61.300 0.031 0.000 1.404 250 I CB 0.460 38.386 38.000 -0.124 0.000 1.403 250 I HN 0.600 nan 8.210 nan 0.000 0.539 251 I N 2.196 122.764 120.570 -0.002 0.000 4.032 251 I HA 0.275 4.445 4.170 0.001 0.000 0.313 251 I C 0.546 176.658 176.117 -0.009 0.000 1.272 251 I CA 0.136 61.432 61.300 -0.007 0.000 1.307 251 I CB 0.388 38.388 38.000 -0.001 0.000 1.155 251 I HN 0.551 nan 8.210 nan 0.000 0.431 252 Q N 2.255 122.050 119.800 -0.009 0.000 2.295 252 Q HA 0.381 4.721 4.340 0.001 0.000 0.259 252 Q C -1.333 174.673 176.000 0.010 0.000 0.966 252 Q CA -0.354 55.441 55.803 -0.014 0.000 0.763 252 Q CB 1.836 30.553 28.738 -0.036 0.000 1.283 252 Q HN 0.407 nan 8.270 nan 0.000 0.445 253 Q N 5.554 125.345 119.800 -0.015 0.000 2.290 253 Q HA 0.516 4.856 4.340 0.001 0.000 0.269 253 Q C -2.606 173.378 176.000 -0.027 0.000 1.016 253 Q CA -1.946 53.847 55.803 -0.016 0.000 0.754 253 Q CB 2.067 30.731 28.738 -0.123 0.000 1.247 253 Q HN 0.359 nan 8.270 nan 0.000 0.451 254 P HA 0.073 nan 4.420 nan 0.000 0.276 254 P C -0.463 176.820 177.300 -0.029 0.000 1.261 254 P CA -0.542 62.558 63.100 -0.001 0.000 0.800 254 P CB 0.809 32.501 31.700 -0.013 0.000 1.066 255 M N 1.282 120.840 119.600 -0.071 0.000 2.269 255 M HA 0.062 4.542 4.480 0.001 0.000 0.350 255 M C 0.250 176.404 176.300 -0.243 0.000 1.429 255 M CA 0.519 55.701 55.300 -0.196 0.000 1.063 255 M CB -0.029 32.375 32.600 -0.326 0.000 1.841 255 M HN 0.297 nan 8.290 nan 0.000 0.455 256 S N 3.712 119.280 115.700 -0.220 0.000 2.617 256 S HA 0.341 4.812 4.470 0.001 0.000 0.283 256 S C -0.298 174.129 174.600 -0.288 0.000 1.189 256 S CA -0.559 57.556 58.200 -0.142 0.000 1.036 256 S CB 0.664 63.835 63.200 -0.048 0.000 1.014 256 S HN 0.734 nan 8.310 nan 0.000 0.522 257 Y N 0.683 120.893 120.300 -0.151 0.000 2.524 257 Y HA 0.285 4.835 4.550 0.001 0.000 0.266 257 Y C 0.219 176.082 175.900 -0.062 0.000 1.180 257 Y CA -0.597 57.366 58.100 -0.229 0.000 1.244 257 Y CB 0.228 38.497 38.460 -0.317 0.000 1.125 257 Y HN 0.519 nan 8.280 nan 0.000 0.524 258 D N 1.859 122.312 120.400 0.089 0.000 2.385 258 D HA -0.022 4.618 4.640 0.001 0.000 0.260 258 D C -0.078 176.287 176.300 0.108 0.000 1.326 258 D CA 0.483 54.542 54.000 0.097 0.000 1.023 258 D CB -0.260 40.579 40.800 0.065 0.000 1.083 258 D HN 0.220 nan 8.370 nan 0.000 0.517 259 N N 1.047 119.844 118.700 0.161 0.000 2.758 259 N HA -0.200 4.540 4.740 0.001 0.000 0.248 259 N C 0.842 176.473 175.510 0.202 0.000 1.076 259 N CA 0.064 53.221 53.050 0.178 0.000 0.696 259 N CB -1.220 37.344 38.487 0.128 0.000 0.979 259 N HN 0.334 nan 8.380 nan 0.000 0.550 260 L N 0.270 121.630 121.223 0.228 0.000 1.976 260 L HA -0.066 4.275 4.340 0.001 0.000 0.209 260 L C 2.089 179.136 176.870 0.294 0.000 1.071 260 L CA 2.375 57.322 54.840 0.178 0.000 0.746 260 L CB -1.023 41.025 42.059 -0.019 0.000 0.890 260 L HN 0.395 nan 8.230 nan 0.000 0.432 261 T N -0.914 113.892 114.554 0.420 0.000 2.803 261 T HA -0.219 4.132 4.350 0.001 0.000 0.269 261 T C 1.786 176.726 174.700 0.400 0.000 1.052 261 T CA 1.545 63.877 62.100 0.388 0.000 1.136 261 T CB -0.137 68.951 68.868 0.367 0.000 0.864 261 T HN 0.352 nan 8.240 nan 0.000 0.467 262 Q N 0.595 120.620 119.800 0.375 0.000 2.083 262 Q HA 0.150 4.490 4.340 0.001 0.000 0.198 262 Q C 2.419 178.582 176.000 0.272 0.000 0.969 262 Q CA 1.081 57.123 55.803 0.398 0.000 0.838 262 Q CB -0.184 28.725 28.738 0.284 0.000 0.900 262 Q HN 0.362 nan 8.270 nan 0.000 0.436 263 R N -0.230 120.399 120.500 0.216 0.000 2.115 263 R HA -0.000 4.341 4.340 0.001 0.000 0.230 263 R C 2.040 178.405 176.300 0.109 0.000 1.111 263 R CA 0.728 56.911 56.100 0.139 0.000 0.976 263 R CB -0.178 30.226 30.300 0.173 0.000 0.870 263 R HN 0.249 nan 8.270 nan 0.000 0.445 264 L N -0.525 120.845 121.223 0.244 0.000 1.988 264 L HA -0.172 4.168 4.340 0.001 0.000 0.207 264 L C 2.289 179.242 176.870 0.138 0.000 1.071 264 L CA 1.561 56.556 54.840 0.258 0.000 0.744 264 L CB -0.892 41.356 42.059 0.315 0.000 0.893 264 L HN 0.204 nan 8.230 nan 0.000 0.433 265 T N -0.062 114.602 114.554 0.184 0.000 2.653 265 T HA -0.223 4.128 4.350 0.001 0.000 0.268 265 T C 1.982 176.706 174.700 0.040 0.000 1.035 265 T CA 1.714 63.879 62.100 0.108 0.000 1.154 265 T CB -0.400 68.515 68.868 0.079 0.000 0.862 265 T HN 0.062 nan 8.240 nan 0.000 0.441 266 V N 1.435 121.372 119.914 0.038 0.000 2.332 266 V HA -0.154 3.967 4.120 0.001 0.000 0.248 266 V C 2.695 178.751 176.094 -0.065 0.000 1.055 266 V CA 1.635 63.930 62.300 -0.008 0.000 1.038 266 V CB -0.491 31.328 31.823 -0.007 0.000 0.651 266 V HN 0.469 nan 8.190 nan 0.000 0.450 267 E N 0.061 120.175 120.200 -0.143 0.000 2.110 267 E HA -0.177 4.174 4.350 0.001 0.000 0.193 267 E C 2.341 178.934 176.600 -0.011 0.000 0.988 267 E CA 1.448 57.743 56.400 -0.175 0.000 0.804 267 E CB -0.364 29.054 29.700 -0.471 0.000 0.745 267 E HN 0.588 nan 8.360 nan 0.000 0.458 268 A N 1.748 124.578 122.820 0.017 0.000 1.845 268 A HA -0.092 4.229 4.320 0.001 0.000 0.215 268 A C 2.484 180.096 177.584 0.047 0.000 1.195 268 A CA 2.155 54.229 52.037 0.063 0.000 0.616 268 A CB -0.831 18.196 19.000 0.045 0.000 0.832 268 A HN 0.273 nan 8.150 nan 0.000 0.443 269 A N -0.785 122.035 122.820 0.001 0.000 1.917 269 A HA -0.273 4.047 4.320 0.001 0.000 0.219 269 A C 2.129 179.681 177.584 -0.054 0.000 1.182 269 A CA 1.854 53.872 52.037 -0.031 0.000 0.633 269 A CB -0.708 18.276 19.000 -0.027 0.000 0.819 269 A HN 0.668 nan 8.150 nan 0.000 0.448 270 Q N -2.156 117.618 119.800 -0.044 0.000 2.170 270 Q HA -0.152 4.189 4.340 0.001 0.000 0.203 270 Q C 1.898 177.846 176.000 -0.086 0.000 0.976 270 Q CA 1.391 57.153 55.803 -0.069 0.000 0.858 270 Q CB -0.256 28.438 28.738 -0.074 0.000 0.907 270 Q HN 0.770 nan 8.270 nan 0.000 0.433 271 F N 1.394 121.226 119.950 -0.197 0.000 2.060 271 F HA -0.172 4.355 4.527 0.001 0.000 0.295 271 F C 1.956 177.574 175.800 -0.303 0.000 1.120 271 F CA 1.087 58.944 58.000 -0.240 0.000 1.205 271 F CB -0.432 38.459 39.000 -0.181 0.000 0.986 271 F HN -0.087 nan 8.300 nan 0.000 0.470 272 I N 0.462 120.707 120.570 -0.541 0.000 2.113 272 I HA -0.430 3.741 4.170 0.001 0.000 0.242 272 I C 2.479 178.302 176.117 -0.490 0.000 1.064 272 I CA 2.004 62.820 61.300 -0.806 0.000 1.320 272 I CB -0.745 36.982 38.000 -0.455 0.000 1.028 272 I HN 0.305 nan 8.210 nan 0.000 0.406 273 Q N 0.406 120.039 119.800 -0.279 0.000 2.096 273 Q HA -0.229 4.112 4.340 0.001 0.000 0.204 273 Q C 1.945 177.835 176.000 -0.183 0.000 0.982 273 Q CA 1.674 57.375 55.803 -0.171 0.000 0.850 273 Q CB -0.292 28.379 28.738 -0.112 0.000 0.901 273 Q HN 0.601 nan 8.270 nan 0.000 0.422 274 R N 0.124 120.477 120.500 -0.245 0.000 2.328 274 R HA 0.070 4.411 4.340 0.001 0.000 0.206 274 R C 0.172 176.335 176.300 -0.228 0.000 0.990 274 R CA 0.487 56.464 56.100 -0.205 0.000 1.085 274 R CB 0.117 30.306 30.300 -0.186 0.000 0.998 274 R HN 0.086 nan 8.270 nan 0.000 0.484 275 N N 0.623 119.164 118.700 -0.265 0.000 2.475 275 N HA -0.008 4.733 4.740 0.001 0.000 0.272 275 N C 0.059 175.589 175.510 0.034 0.000 1.482 275 N CA 0.210 53.170 53.050 -0.150 0.000 0.863 275 N CB 1.509 39.834 38.487 -0.271 0.000 1.400 275 N HN 0.267 nan 8.380 nan 0.000 0.489 276 T N -1.852 112.700 114.554 -0.004 0.000 2.977 276 T HA -0.011 4.340 4.350 0.001 0.000 0.271 276 T C 1.151 175.870 174.700 0.031 0.000 1.105 276 T CA 1.107 63.236 62.100 0.048 0.000 1.116 276 T CB 0.188 69.061 68.868 0.008 0.000 0.878 276 T HN 0.213 nan 8.240 nan 0.000 0.509 277 E N 0.218 120.419 120.200 0.002 0.000 2.562 277 E HA 0.156 4.507 4.350 0.001 0.000 0.214 277 E C -0.434 176.140 176.600 -0.043 0.000 0.979 277 E CA -0.107 56.280 56.400 -0.022 0.000 1.002 277 E CB 0.968 30.654 29.700 -0.024 0.000 1.048 277 E HN 0.330 nan 8.360 nan 0.000 0.488 278 T N 3.133 117.666 114.554 -0.035 0.000 2.807 278 T HA 0.286 4.636 4.350 0.001 0.000 0.279 278 T C -2.641 171.981 174.700 -0.130 0.000 0.993 278 T CA -1.626 60.430 62.100 -0.073 0.000 0.970 278 T CB 1.877 70.722 68.868 -0.037 0.000 0.950 278 T HN -0.073 nan 8.240 nan 0.000 0.441 279 P HA 0.215 nan 4.420 nan 0.000 0.268 279 P C -1.044 176.041 177.300 -0.359 0.000 1.204 279 P CA -0.216 62.550 63.100 -0.557 0.000 0.768 279 P CB 0.180 31.312 31.700 -0.945 0.000 0.842 280 F N 2.071 121.991 119.950 -0.051 0.000 2.603 280 F HA 0.717 5.244 4.527 0.001 0.000 0.317 280 F C -1.664 174.422 175.800 0.476 0.000 1.066 280 F CA -2.130 56.010 58.000 0.232 0.000 0.941 280 F CB 1.019 40.048 39.000 0.050 0.000 1.291 280 F HN 0.115 nan 8.300 nan 0.000 0.472 281 L N 3.979 125.739 121.223 0.895 0.000 2.372 281 L HA 0.712 5.053 4.340 0.001 0.000 0.273 281 L C -1.894 175.374 176.870 0.663 0.000 0.989 281 L CA -0.785 54.440 54.840 0.641 0.000 0.841 281 L CB 1.323 43.602 42.059 0.366 0.000 1.225 281 L HN 0.853 nan 8.230 nan 0.000 0.414 282 L N 6.332 127.920 121.223 0.608 0.000 2.313 282 L HA 0.738 5.079 4.340 0.001 0.000 0.283 282 L C -1.286 175.793 176.870 0.349 0.000 1.013 282 L CA -0.266 54.824 54.840 0.416 0.000 0.816 282 L CB 1.911 44.199 42.059 0.381 0.000 1.236 282 L HN 0.382 nan 8.230 nan 0.000 0.419 283 V N 6.962 127.046 119.914 0.283 0.000 2.326 283 V HA 0.367 4.487 4.120 0.001 0.000 0.281 283 V C -0.132 176.014 176.094 0.086 0.000 1.015 283 V CA -0.415 62.057 62.300 0.286 0.000 0.823 283 V CB 1.308 33.370 31.823 0.399 0.000 1.009 283 V HN 0.671 nan 8.190 nan 0.000 0.436 284 L N 4.181 125.415 121.223 0.017 0.000 2.264 284 L HA 0.489 4.830 4.340 0.001 0.000 0.287 284 L C 0.355 177.063 176.870 -0.270 0.000 1.039 284 L CA 0.074 54.807 54.840 -0.179 0.000 0.829 284 L CB 1.499 43.373 42.059 -0.308 0.000 1.211 284 L HN 0.645 nan 8.230 nan 0.000 0.427 285 S N 4.301 119.895 115.700 -0.177 0.000 2.512 285 S HA 0.365 4.836 4.470 0.001 0.000 0.291 285 S C -0.455 174.108 174.600 -0.062 0.000 1.151 285 S CA -0.528 57.609 58.200 -0.105 0.000 1.120 285 S CB -0.108 63.095 63.200 0.004 0.000 1.029 285 S HN 0.376 nan 8.310 nan 0.000 0.485 286 Y N 3.019 123.342 120.300 0.038 0.000 2.550 286 Y HA 0.088 4.639 4.550 0.001 0.000 0.343 286 Y C 1.274 177.191 175.900 0.028 0.000 1.245 286 Y CA -0.328 57.805 58.100 0.055 0.000 1.462 286 Y CB 0.310 38.827 38.460 0.095 0.000 1.340 286 Y HN 0.475 nan 8.280 nan 0.000 0.604 287 L N 0.966 122.307 121.223 0.198 0.000 2.131 287 L HA -0.085 4.255 4.340 0.001 0.000 0.206 287 L C 0.988 177.945 176.870 0.144 0.000 1.087 287 L CA 0.956 55.858 54.840 0.103 0.000 0.767 287 L CB -0.832 41.271 42.059 0.073 0.000 0.917 287 L HN 0.572 nan 8.230 nan 0.000 0.441 288 H N -0.283 118.885 119.070 0.163 0.000 2.948 288 H HA 0.115 4.672 4.556 0.001 0.000 0.351 288 H C 0.331 175.663 175.328 0.007 0.000 1.079 288 H CA 0.430 56.461 56.048 -0.028 0.000 1.407 288 H CB 0.965 30.571 29.762 -0.260 0.000 1.373 288 H HN -0.036 nan 8.280 nan 0.000 0.605 289 V N 1.342 121.310 119.914 0.090 0.000 2.776 289 V HA 0.134 4.254 4.120 0.001 0.000 0.332 289 V C 0.611 176.767 176.094 0.102 0.000 1.201 289 V CA -0.744 61.559 62.300 0.006 0.000 1.401 289 V CB -0.488 31.096 31.823 -0.397 0.000 1.552 289 V HN 0.631 nan 8.190 nan 0.000 0.605 290 H N 1.346 120.470 119.070 0.090 0.000 2.732 290 H HA 0.241 4.798 4.556 0.001 0.000 0.351 290 H C 0.315 175.718 175.328 0.124 0.000 1.090 290 H CA 0.650 56.754 56.048 0.093 0.000 1.431 290 H CB 1.484 31.280 29.762 0.056 0.000 1.447 290 H HN 0.531 nan 8.280 nan 0.000 0.582 291 T N 3.262 117.763 114.554 -0.090 0.000 2.828 291 T HA 0.129 4.480 4.350 0.001 0.000 0.282 291 T C 0.515 175.328 174.700 0.187 0.000 1.031 291 T CA 1.404 63.541 62.100 0.062 0.000 1.136 291 T CB -0.228 68.666 68.868 0.044 0.000 1.057 291 T HN 0.781 nan 8.240 nan 0.000 0.499 292 A N 2.328 125.198 122.820 0.083 0.000 3.907 292 A HA -0.016 4.305 4.320 0.001 0.000 0.225 292 A C 0.192 177.878 177.584 0.171 0.000 1.241 292 A CA -0.700 51.381 52.037 0.074 0.000 0.823 292 A CB -1.971 17.111 19.000 0.136 0.000 0.969 292 A HN 0.547 nan 8.150 nan 0.000 0.506 293 L N -0.289 120.975 121.223 0.068 0.000 2.489 293 L HA 0.624 4.964 4.340 0.001 0.000 0.285 293 L C 0.658 177.695 176.870 0.278 0.000 1.259 293 L CA 1.526 56.439 54.840 0.122 0.000 0.828 293 L CB -0.815 41.209 42.059 -0.058 0.000 1.094 293 L HN 1.152 nan 8.230 nan 0.000 0.524 294 F N -2.086 117.919 119.950 0.092 0.000 2.799 294 F HA 0.685 5.213 4.527 0.001 0.000 0.316 294 F C -0.602 175.298 175.800 0.166 0.000 1.155 294 F CA -0.867 57.183 58.000 0.083 0.000 0.916 294 F CB 1.243 40.282 39.000 0.065 0.000 1.294 294 F HN 0.298 nan 8.300 nan 0.000 0.447 295 S N 0.003 115.816 115.700 0.189 0.000 2.671 295 S HA 0.754 5.224 4.470 0.001 0.000 0.277 295 S C -0.913 173.800 174.600 0.188 0.000 1.165 295 S CA -0.433 57.821 58.200 0.090 0.000 0.822 295 S CB 1.644 64.888 63.200 0.073 0.000 1.150 295 S HN 1.072 nan 8.310 nan 0.000 0.479 296 S N 0.781 116.573 115.700 0.154 0.000 2.666 296 S HA 0.349 4.820 4.470 0.001 0.000 0.279 296 S C 1.197 175.849 174.600 0.087 0.000 1.149 296 S CA -0.334 57.940 58.200 0.122 0.000 1.020 296 S CB 0.198 63.432 63.200 0.056 0.000 1.127 296 S HN 0.882 nan 8.310 nan 0.000 0.537 297 K N 0.172 120.595 120.400 0.038 0.000 2.103 297 K HA -0.146 4.175 4.320 0.001 0.000 0.207 297 K C 0.751 177.333 176.600 -0.029 0.000 1.048 297 K CA 1.832 58.124 56.287 0.008 0.000 0.930 297 K CB -0.692 31.802 32.500 -0.010 0.000 0.716 297 K HN 0.535 nan 8.250 nan 0.000 0.444 298 D N -0.239 120.120 120.400 -0.068 0.000 2.350 298 D HA -0.092 4.549 4.640 0.001 0.000 0.216 298 D C 0.900 176.980 176.300 -0.365 0.000 0.968 298 D CA 0.934 54.804 54.000 -0.216 0.000 0.894 298 D CB 0.017 40.627 40.800 -0.315 0.000 0.909 298 D HN 0.323 nan 8.370 nan 0.000 0.520 299 F N 0.344 120.227 119.950 -0.111 0.000 2.784 299 F HA 0.307 4.834 4.527 0.001 0.000 0.323 299 F C 1.013 176.779 175.800 -0.057 0.000 1.085 299 F CA -0.498 57.446 58.000 -0.093 0.000 1.196 299 F CB 0.306 39.232 39.000 -0.123 0.000 1.053 299 F HN -0.259 nan 8.300 nan 0.000 0.578 300 A N 0.769 123.652 122.820 0.104 0.000 2.537 300 A HA 0.428 4.749 4.320 0.001 0.000 0.260 300 A C 1.262 178.870 177.584 0.041 0.000 1.082 300 A CA 1.284 53.363 52.037 0.070 0.000 0.765 300 A CB -1.020 18.012 19.000 0.054 0.000 1.019 300 A HN 0.847 nan 8.150 nan 0.000 0.507 301 G N 2.800 111.632 108.800 0.052 0.000 3.700 301 G HA2 -0.222 3.739 3.960 0.001 0.000 0.211 301 G HA3 -0.222 3.739 3.960 0.001 0.000 0.211 301 G C 0.343 175.268 174.900 0.042 0.000 1.777 301 G CA -0.108 45.015 45.100 0.038 0.000 1.460 301 G HN 1.354 nan 8.290 nan 0.000 0.615 302 K N 2.208 122.621 120.400 0.021 0.000 2.255 302 K HA 0.384 4.705 4.320 0.001 0.000 0.269 302 K C 0.099 176.738 176.600 0.065 0.000 1.158 302 K CA 1.231 57.531 56.287 0.022 0.000 1.155 302 K CB -0.037 32.448 32.500 -0.025 0.000 0.889 302 K HN 1.526 nan 8.250 nan 0.000 0.440 303 S N 0.935 116.678 115.700 0.072 0.000 2.656 303 S HA 0.178 4.648 4.470 0.001 0.000 0.273 303 S C 0.290 174.946 174.600 0.093 0.000 1.168 303 S CA -0.917 57.341 58.200 0.097 0.000 0.817 303 S CB 2.058 65.327 63.200 0.115 0.000 1.146 303 S HN 0.540 nan 8.310 nan 0.000 0.475 304 Q N 0.576 120.446 119.800 0.117 0.000 2.050 304 Q HA 0.131 4.472 4.340 0.001 0.000 0.200 304 Q C 0.304 176.386 176.000 0.138 0.000 0.988 304 Q CA 0.775 56.639 55.803 0.101 0.000 0.845 304 Q CB -0.419 28.379 28.738 0.100 0.000 0.917 304 Q HN 0.945 nan 8.270 nan 0.000 0.481 305 H N 0.157 119.270 119.070 0.072 0.000 2.638 305 H HA 0.311 4.867 4.556 0.001 0.000 0.293 305 H C 0.131 175.511 175.328 0.087 0.000 1.316 305 H CA -0.038 56.038 56.048 0.047 0.000 1.099 305 H CB -0.463 29.297 29.762 -0.004 0.000 1.515 305 H HN 0.641 nan 8.280 nan 0.000 0.505 306 G N -0.366 108.566 108.800 0.221 0.000 2.545 306 G HA2 -0.324 3.637 3.960 0.001 0.000 0.216 306 G HA3 -0.324 3.637 3.960 0.001 0.000 0.216 306 G C 1.059 176.071 174.900 0.188 0.000 1.314 306 G CA -0.150 45.058 45.100 0.181 0.000 0.906 306 G HN 0.470 nan 8.290 nan 0.000 0.563 307 V N -2.410 117.619 119.914 0.191 0.000 2.469 307 V HA -0.158 3.963 4.120 0.001 0.000 0.251 307 V C 2.271 178.431 176.094 0.109 0.000 1.064 307 V CA 2.914 65.292 62.300 0.129 0.000 1.066 307 V CB -1.330 30.553 31.823 0.100 0.000 0.667 307 V HN 1.338 nan 8.190 nan 0.000 0.461 308 Y N 2.949 123.280 120.300 0.053 0.000 2.097 308 Y HA -0.056 4.495 4.550 0.001 0.000 0.282 308 Y C 2.540 178.424 175.900 -0.026 0.000 1.152 308 Y CA 2.182 60.290 58.100 0.013 0.000 1.136 308 Y CB -0.997 37.503 38.460 0.066 0.000 0.975 308 Y HN 0.252 nan 8.280 nan 0.000 0.498 309 G N -0.135 108.840 108.800 0.293 0.000 2.442 309 G HA2 -0.277 3.683 3.960 0.001 0.000 0.219 309 G HA3 -0.277 3.683 3.960 0.001 0.000 0.219 309 G C 1.413 176.319 174.900 0.009 0.000 1.141 309 G CA 1.135 46.334 45.100 0.165 0.000 0.763 309 G HN 0.471 nan 8.290 nan 0.000 0.554 310 D N 0.976 121.390 120.400 0.022 0.000 2.149 310 D HA -0.104 4.537 4.640 0.001 0.000 0.198 310 D C 2.771 178.927 176.300 -0.240 0.000 0.990 310 D CA 1.318 55.321 54.000 0.005 0.000 0.839 310 D CB -0.110 40.714 40.800 0.040 0.000 0.948 310 D HN 0.370 nan 8.370 nan 0.000 0.460 311 A N 1.081 123.667 122.820 -0.390 0.000 1.855 311 A HA -0.085 4.236 4.320 0.001 0.000 0.213 311 A C 2.557 179.578 177.584 -0.939 0.000 1.195 311 A CA 1.574 53.115 52.037 -0.827 0.000 0.610 311 A CB -0.895 17.668 19.000 -0.728 0.000 0.837 311 A HN 0.193 nan 8.150 nan 0.000 0.444 312 V N -1.197 118.326 119.914 -0.652 0.000 2.332 312 V HA -0.290 3.831 4.120 0.001 0.000 0.248 312 V C 1.813 177.671 176.094 -0.393 0.000 1.055 312 V CA 2.549 64.556 62.300 -0.489 0.000 1.038 312 V CB -1.236 30.397 31.823 -0.316 0.000 0.651 312 V HN 0.624 nan 8.190 nan 0.000 0.450 313 E N 0.054 120.057 120.200 -0.329 0.000 2.268 313 E HA -0.182 4.169 4.350 0.001 0.000 0.195 313 E C 2.203 178.394 176.600 -0.682 0.000 0.995 313 E CA 1.167 57.434 56.400 -0.222 0.000 0.836 313 E CB -0.074 29.691 29.700 0.107 0.000 0.763 313 E HN 0.828 nan 8.360 nan 0.000 0.491 314 E N 0.973 120.470 120.200 -1.171 0.000 2.076 314 E HA -0.137 4.214 4.350 0.001 0.000 0.190 314 E C 2.122 178.359 176.600 -0.605 0.000 0.979 314 E CA 0.382 55.901 56.400 -1.470 0.000 0.807 314 E CB 0.035 29.022 29.700 -1.188 0.000 0.761 314 E HN 0.171 nan 8.360 nan 0.000 0.454 315 M N 1.125 120.341 119.600 -0.640 0.000 2.080 315 M HA -0.221 4.260 4.480 0.001 0.000 0.260 315 M C 2.022 178.108 176.300 -0.358 0.000 1.068 315 M CA 1.951 56.913 55.300 -0.563 0.000 1.109 315 M CB -0.237 32.029 32.600 -0.557 0.000 1.342 315 M HN 0.056 nan 8.290 nan 0.000 0.405 316 D N -0.794 119.462 120.400 -0.240 0.000 2.149 316 D HA -0.249 4.392 4.640 0.001 0.000 0.198 316 D C 1.719 177.995 176.300 -0.041 0.000 0.990 316 D CA 1.606 55.533 54.000 -0.123 0.000 0.839 316 D CB -0.388 40.366 40.800 -0.078 0.000 0.948 316 D HN 0.703 nan 8.370 nan 0.000 0.460 317 W N 1.254 122.481 121.300 -0.123 0.000 2.392 317 W HA -0.104 4.556 4.660 0.001 0.000 0.279 317 W C 2.455 178.982 176.519 0.014 0.000 1.225 317 W CA 1.534 58.887 57.345 0.013 0.000 1.233 317 W CB -0.458 29.078 29.460 0.128 0.000 1.122 317 W HN -0.148 nan 8.180 nan 0.000 0.561 318 S N -0.292 115.259 115.700 -0.247 0.000 2.357 318 S HA -0.178 4.293 4.470 0.001 0.000 0.221 318 S C 1.866 176.344 174.600 -0.204 0.000 1.031 318 S CA 1.790 59.784 58.200 -0.343 0.000 0.982 318 S CB -0.844 62.347 63.200 -0.015 0.000 0.853 318 S HN 0.084 nan 8.310 nan 0.000 0.458 319 V N 1.728 121.615 119.914 -0.045 0.000 2.231 319 V HA -0.151 3.970 4.120 0.001 0.000 0.248 319 V C 2.762 178.804 176.094 -0.087 0.000 1.054 319 V CA 2.106 64.418 62.300 0.021 0.000 1.015 319 V CB -1.616 30.215 31.823 0.013 0.000 0.638 319 V HN 0.642 nan 8.190 nan 0.000 0.444 320 G N -1.248 107.464 108.800 -0.147 0.000 2.469 320 G HA2 -0.393 3.568 3.960 0.001 0.000 0.220 320 G HA3 -0.393 3.568 3.960 0.001 0.000 0.220 320 G C 1.508 176.288 174.900 -0.200 0.000 1.136 320 G CA 1.217 46.231 45.100 -0.143 0.000 0.759 320 G HN 0.513 nan 8.290 nan 0.000 0.562 321 Q N -0.235 119.331 119.800 -0.391 0.000 2.170 321 Q HA -0.013 4.328 4.340 0.001 0.000 0.203 321 Q C 2.269 178.157 176.000 -0.187 0.000 0.976 321 Q CA 1.006 56.573 55.803 -0.393 0.000 0.858 321 Q CB -0.294 27.998 28.738 -0.744 0.000 0.907 321 Q HN 0.449 nan 8.270 nan 0.000 0.433 322 I N -0.617 119.876 120.570 -0.129 0.000 2.500 322 I HA -0.155 4.016 4.170 0.001 0.000 0.252 322 I C 1.646 177.761 176.117 -0.004 0.000 1.142 322 I CA 0.744 62.021 61.300 -0.038 0.000 1.451 322 I CB -0.116 37.893 38.000 0.014 0.000 1.093 322 I HN 0.234 nan 8.210 nan 0.000 0.430 323 L N -0.007 121.209 121.223 -0.011 0.000 2.005 323 L HA -0.211 4.130 4.340 0.001 0.000 0.207 323 L C 2.061 178.938 176.870 0.012 0.000 1.072 323 L CA 1.242 56.090 54.840 0.014 0.000 0.744 323 L CB -1.045 41.016 42.059 0.003 0.000 0.895 323 L HN 0.243 nan 8.230 nan 0.000 0.433 324 N N 0.388 119.081 118.700 -0.011 0.000 2.272 324 N HA -0.181 4.560 4.740 0.001 0.000 0.185 324 N C 1.705 177.218 175.510 0.005 0.000 1.014 324 N CA 1.023 54.072 53.050 -0.002 0.000 0.870 324 N CB -0.336 38.144 38.487 -0.011 0.000 0.975 324 N HN 0.197 nan 8.380 nan 0.000 0.433 325 L N 0.581 121.804 121.223 -0.000 0.000 2.131 325 L HA 0.124 4.465 4.340 0.001 0.000 0.206 325 L C 1.865 178.752 176.870 0.028 0.000 1.087 325 L CA 0.979 55.823 54.840 0.006 0.000 0.767 325 L CB -0.339 41.715 42.059 -0.009 0.000 0.917 325 L HN 0.064 nan 8.230 nan 0.000 0.441 326 L N -0.673 120.578 121.223 0.046 0.000 2.083 326 L HA -0.186 4.155 4.340 0.001 0.000 0.209 326 L C 2.046 178.953 176.870 0.062 0.000 1.083 326 L CA 1.144 56.031 54.840 0.078 0.000 0.752 326 L CB -0.721 41.397 42.059 0.098 0.000 0.899 326 L HN 0.284 nan 8.230 nan 0.000 0.433 327 D N -0.279 120.148 120.400 0.044 0.000 2.091 327 D HA -0.196 4.445 4.640 0.001 0.000 0.199 327 D C 1.985 178.303 176.300 0.030 0.000 0.980 327 D CA 0.967 54.989 54.000 0.037 0.000 0.831 327 D CB -0.102 40.715 40.800 0.029 0.000 0.987 327 D HN 0.286 nan 8.370 nan 0.000 0.460 328 E N 0.297 120.512 120.200 0.025 0.000 2.097 328 E HA -0.178 4.173 4.350 0.001 0.000 0.196 328 E C 1.658 178.270 176.600 0.021 0.000 1.000 328 E CA 0.896 57.308 56.400 0.020 0.000 0.804 328 E CB -0.057 29.652 29.700 0.015 0.000 0.740 328 E HN 0.251 nan 8.360 nan 0.000 0.454 329 L N -0.342 120.897 121.223 0.028 0.000 2.592 329 L HA 0.224 4.564 4.340 0.001 0.000 0.227 329 L C 0.522 177.414 176.870 0.037 0.000 1.127 329 L CA -0.045 54.813 54.840 0.030 0.000 0.884 329 L CB 0.033 42.114 42.059 0.037 0.000 1.065 329 L HN 0.040 nan 8.230 nan 0.000 0.457 330 R N 0.099 120.623 120.500 0.039 0.000 3.336 330 R HA -0.172 4.169 4.340 0.001 0.000 0.260 330 R C 0.376 176.706 176.300 0.050 0.000 1.032 330 R CA 0.229 56.352 56.100 0.039 0.000 0.693 330 R CB -1.931 28.385 30.300 0.027 0.000 1.134 330 R HN 0.379 nan 8.270 nan 0.000 0.433 331 L N -2.251 119.014 121.223 0.070 0.000 2.749 331 L HA 0.229 4.569 4.340 0.001 0.000 0.242 331 L C 2.333 179.260 176.870 0.096 0.000 1.103 331 L CA 0.644 55.532 54.840 0.081 0.000 0.906 331 L CB 0.091 42.226 42.059 0.126 0.000 1.228 331 L HN 0.342 nan 8.230 nan 0.000 0.517 332 A N 1.012 123.890 122.820 0.097 0.000 1.997 332 A HA -0.244 4.076 4.320 0.001 0.000 0.221 332 A C 1.988 179.648 177.584 0.127 0.000 1.172 332 A CA 2.026 54.128 52.037 0.108 0.000 0.645 332 A CB -0.496 18.554 19.000 0.083 0.000 0.813 332 A HN 0.461 nan 8.150 nan 0.000 0.454 333 N N -0.472 118.292 118.700 0.105 0.000 2.216 333 N HA -0.098 4.642 4.740 0.001 0.000 0.183 333 N C 0.214 175.831 175.510 0.179 0.000 1.017 333 N CA 1.407 54.521 53.050 0.107 0.000 0.861 333 N CB -0.177 38.343 38.487 0.055 0.000 0.986 333 N HN 0.499 nan 8.380 nan 0.000 0.428 334 D N 0.525 121.039 120.400 0.190 0.000 3.035 334 D HA 0.094 4.735 4.640 0.001 0.000 0.290 334 D C -0.921 175.538 176.300 0.265 0.000 1.360 334 D CA -0.224 53.966 54.000 0.317 0.000 0.862 334 D CB -0.067 40.840 40.800 0.177 0.000 1.078 334 D HN 0.064 nan 8.370 nan 0.000 0.487 335 T N -1.279 113.418 114.554 0.238 0.000 2.879 335 T HA 0.442 4.793 4.350 0.001 0.000 0.290 335 T C -0.530 174.080 174.700 -0.150 0.000 0.993 335 T CA -1.006 61.081 62.100 -0.022 0.000 0.975 335 T CB 1.474 70.369 68.868 0.045 0.000 0.981 335 T HN 0.034 nan 8.240 nan 0.000 0.439 336 L N 4.458 125.381 121.223 -0.500 0.000 2.290 336 L HA 0.679 5.020 4.340 0.001 0.000 0.284 336 L C -0.983 175.833 176.870 -0.090 0.000 1.078 336 L CA -0.452 54.114 54.840 -0.457 0.000 0.815 336 L CB 0.016 41.641 42.059 -0.723 0.000 1.162 336 L HN 0.727 nan 8.230 nan 0.000 0.435 337 I N 5.534 126.136 120.570 0.054 0.000 2.569 337 I HA 0.363 4.534 4.170 0.001 0.000 0.296 337 I C -1.371 174.890 176.117 0.240 0.000 1.028 337 I CA -0.890 60.502 61.300 0.154 0.000 1.082 337 I CB 1.832 39.928 38.000 0.161 0.000 1.264 337 I HN 0.603 nan 8.210 nan 0.000 0.429 338 Y N 6.469 126.838 120.300 0.116 0.000 2.512 338 Y HA 0.665 5.215 4.550 0.001 0.000 0.348 338 Y C -2.053 173.970 175.900 0.206 0.000 0.990 338 Y CA -1.497 56.680 58.100 0.128 0.000 1.033 338 Y CB 1.907 40.419 38.460 0.087 0.000 1.259 338 Y HN 0.437 nan 8.280 nan 0.000 0.461 339 F N 4.431 124.114 119.950 -0.444 0.000 2.556 339 F HA 0.718 5.245 4.527 0.001 0.000 0.314 339 F C -0.719 174.660 175.800 -0.702 0.000 1.106 339 F CA -0.051 57.674 58.000 -0.457 0.000 0.911 339 F CB 2.045 40.964 39.000 -0.135 0.000 1.190 339 F HN 0.728 nan 8.300 nan 0.000 0.448 340 T N 2.410 116.137 114.554 -1.378 0.000 2.661 340 T HA 0.533 4.884 4.350 0.001 0.000 0.305 340 T C -1.928 172.274 174.700 -0.830 0.000 1.441 340 T CA -0.494 61.062 62.100 -0.907 0.000 0.999 340 T CB 1.344 69.820 68.868 -0.653 0.000 1.650 340 T HN 0.695 nan 8.240 nan 0.000 0.489 341 S N -0.125 115.305 115.700 -0.451 0.000 2.536 341 S HA 0.449 4.920 4.470 0.001 0.000 0.287 341 S C 0.495 174.957 174.600 -0.231 0.000 1.101 341 S CA -0.136 57.876 58.200 -0.312 0.000 0.950 341 S CB 1.464 64.543 63.200 -0.202 0.000 1.056 341 S HN 0.814 nan 8.310 nan 0.000 0.481 342 D N 2.425 122.712 120.400 -0.190 0.000 2.218 342 D HA -0.058 4.583 4.640 0.001 0.000 0.204 342 D C 0.374 176.600 176.300 -0.124 0.000 0.976 342 D CA 1.436 55.340 54.000 -0.159 0.000 0.853 342 D CB -0.118 40.612 40.800 -0.115 0.000 0.939 342 D HN 0.585 nan 8.370 nan 0.000 0.481 343 Q N -2.206 117.530 119.800 -0.107 0.000 2.907 343 Q HA 0.552 4.892 4.340 0.001 0.000 0.310 343 Q C 0.093 176.046 176.000 -0.077 0.000 0.861 343 Q CA -0.640 55.106 55.803 -0.096 0.000 0.769 343 Q CB 0.215 28.896 28.738 -0.096 0.000 1.465 343 Q HN 0.014 nan 8.270 nan 0.000 0.449 344 G N -0.096 108.662 108.800 -0.070 0.000 2.794 344 G HA2 0.397 4.357 3.960 0.001 0.000 0.249 344 G HA3 0.397 4.357 3.960 0.001 0.000 0.249 344 G C -0.238 174.659 174.900 -0.005 0.000 1.236 344 G CA -0.179 44.897 45.100 -0.039 0.000 0.880 344 G HN 0.873 nan 8.290 nan 0.000 0.586 345 A N -0.804 122.037 122.820 0.035 0.000 2.351 345 A HA 0.398 4.719 4.320 0.001 0.000 0.257 345 A C 0.266 177.906 177.584 0.093 0.000 1.087 345 A CA -0.454 51.629 52.037 0.076 0.000 0.798 345 A CB 0.094 19.141 19.000 0.078 0.000 1.033 345 A HN 0.837 nan 8.150 nan 0.000 0.488 346 H N 2.162 121.212 119.070 -0.034 0.000 3.086 346 H HA 0.196 4.753 4.556 0.001 0.000 0.265 346 H C 0.998 176.277 175.328 -0.082 0.000 1.092 346 H CA -0.492 55.509 56.048 -0.078 0.000 1.487 346 H CB 0.600 30.294 29.762 -0.112 0.000 1.514 346 H HN 0.394 nan 8.280 nan 0.000 0.497 347 V N 4.478 124.426 119.914 0.057 0.000 2.237 347 V HA -0.255 3.865 4.120 0.001 0.000 0.245 347 V C 0.842 176.730 176.094 -0.345 0.000 1.046 347 V CA 1.728 64.015 62.300 -0.023 0.000 1.007 347 V CB -0.192 31.742 31.823 0.185 0.000 0.638 347 V HN 0.775 nan 8.190 nan 0.000 0.445 348 E N 0.871 120.647 120.200 -0.707 0.000 2.346 348 E HA 0.222 4.572 4.350 0.001 0.000 0.317 348 E C -0.059 175.868 176.600 -1.122 0.000 1.404 348 E CA 0.078 55.550 56.400 -1.547 0.000 1.534 348 E CB -0.189 28.738 29.700 -1.288 0.000 1.309 348 E HN 0.511 nan 8.360 nan 0.000 0.499 349 E N 1.000 120.758 120.200 -0.737 0.000 2.795 349 E HA 0.237 4.587 4.350 0.001 0.000 0.226 349 E C -1.555 174.948 176.600 -0.162 0.000 1.088 349 E CA -0.694 55.464 56.400 -0.402 0.000 0.812 349 E CB 0.299 29.825 29.700 -0.290 0.000 1.328 349 E HN 0.047 nan 8.360 nan 0.000 0.410 350 V N 2.576 122.421 119.914 -0.115 0.000 2.709 350 V HA 0.527 4.648 4.120 0.001 0.000 0.308 350 V C 0.689 176.754 176.094 -0.048 0.000 1.062 350 V CA -0.614 61.633 62.300 -0.087 0.000 0.901 350 V CB 1.424 33.250 31.823 0.005 0.000 1.003 350 V HN 0.639 nan 8.190 nan 0.000 0.425 351 S N 3.364 119.027 115.700 -0.062 0.000 2.647 351 S HA 0.144 4.615 4.470 0.001 0.000 0.251 351 S C 1.109 175.707 174.600 -0.002 0.000 1.320 351 S CA 0.701 58.910 58.200 0.014 0.000 0.968 351 S CB 0.617 63.860 63.200 0.071 0.000 1.005 351 S HN 0.685 nan 8.310 nan 0.000 0.576 352 S N 0.055 115.765 115.700 0.017 0.000 2.468 352 S HA 0.195 4.665 4.470 0.001 0.000 0.226 352 S C 1.476 176.081 174.600 0.007 0.000 1.051 352 S CA 0.039 58.247 58.200 0.014 0.000 0.943 352 S CB -0.227 62.989 63.200 0.027 0.000 0.810 352 S HN 0.640 nan 8.310 nan 0.000 0.509 353 K N 1.048 121.456 120.400 0.014 0.000 2.551 353 K HA 0.188 4.508 4.320 0.001 0.000 0.192 353 K C 1.266 177.862 176.600 -0.006 0.000 1.027 353 K CA 0.511 56.804 56.287 0.009 0.000 1.059 353 K CB 0.158 32.671 32.500 0.022 0.000 0.831 353 K HN 0.449 nan 8.250 nan 0.000 0.508 354 G N 1.255 110.039 108.800 -0.025 0.000 2.659 354 G HA2 -0.253 3.708 3.960 0.001 0.000 0.202 354 G HA3 -0.253 3.708 3.960 0.001 0.000 0.202 354 G C -0.530 174.304 174.900 -0.111 0.000 1.186 354 G CA -0.647 44.423 45.100 -0.050 0.000 0.783 354 G HN 0.374 nan 8.290 nan 0.000 0.521 355 E N 1.014 121.138 120.200 -0.127 0.000 3.379 355 E HA 0.015 4.366 4.350 0.001 0.000 0.257 355 E C -0.288 175.942 176.600 -0.617 0.000 0.882 355 E CA 0.661 56.885 56.400 -0.293 0.000 0.962 355 E CB 0.722 30.319 29.700 -0.171 0.000 0.900 355 E HN 0.479 nan 8.360 nan 0.000 0.560 356 I N 5.765 126.013 120.570 -0.536 0.000 2.291 356 I HA 0.081 4.251 4.170 0.001 0.000 0.290 356 I C -0.318 175.466 176.117 -0.556 0.000 1.050 356 I CA -0.204 60.788 61.300 -0.513 0.000 1.245 356 I CB -0.076 37.676 38.000 -0.413 0.000 1.405 356 I HN 0.411 nan 8.210 nan 0.000 0.478 357 H N 4.691 123.671 119.070 -0.150 0.000 2.915 357 H HA 0.749 5.306 4.556 0.001 0.000 0.298 357 H C 0.994 176.218 175.328 -0.173 0.000 1.516 357 H CA -0.548 55.435 56.048 -0.107 0.000 1.480 357 H CB 1.001 30.780 29.762 0.028 0.000 1.847 357 H HN 0.632 nan 8.280 nan 0.000 0.806 358 G N -1.420 107.416 108.800 0.061 0.000 2.493 358 G HA2 0.034 3.994 3.960 0.001 0.000 0.206 358 G HA3 0.034 3.994 3.960 0.001 0.000 0.206 358 G C 0.595 175.380 174.900 -0.192 0.000 1.109 358 G CA 0.441 45.536 45.100 -0.008 0.000 0.689 358 G HN 1.508 nan 8.290 nan 0.000 0.516 359 G N -1.270 107.085 108.800 -0.742 0.000 2.549 359 G HA2 0.475 4.435 3.960 0.001 0.000 0.404 359 G HA3 0.475 4.435 3.960 0.001 0.000 0.404 359 G C -0.159 174.573 174.900 -0.280 0.000 1.292 359 G CA 0.707 45.252 45.100 -0.925 0.000 0.935 359 G HN 2.341 nan 8.290 nan 0.000 0.512 360 S N -0.719 114.920 115.700 -0.102 0.000 2.548 360 S HA 0.751 5.222 4.470 0.001 0.000 0.286 360 S C -0.093 174.545 174.600 0.064 0.000 1.098 360 S CA -0.737 57.470 58.200 0.012 0.000 0.930 360 S CB 2.236 65.461 63.200 0.042 0.000 1.070 360 S HN 0.764 nan 8.310 nan 0.000 0.480 361 N N 0.988 119.743 118.700 0.091 0.000 2.338 361 N HA 0.292 5.033 4.740 0.001 0.000 0.251 361 N C 0.990 176.628 175.510 0.214 0.000 1.199 361 N CA 0.504 53.632 53.050 0.130 0.000 0.879 361 N CB 0.586 39.146 38.487 0.122 0.000 1.159 361 N HN 1.097 nan 8.380 nan 0.000 0.514 362 G N 2.093 110.982 108.800 0.149 0.000 2.622 362 G HA2 -0.338 3.623 3.960 0.001 0.000 0.272 362 G HA3 -0.338 3.623 3.960 0.001 0.000 0.272 362 G C 1.023 175.960 174.900 0.060 0.000 1.308 362 G CA 0.127 45.297 45.100 0.116 0.000 0.919 362 G HN 0.353 nan 8.290 nan 0.000 0.565 363 I N -0.624 119.903 120.570 -0.071 0.000 2.354 363 I HA -0.206 3.965 4.170 0.001 0.000 0.258 363 I C 1.368 177.365 176.117 -0.200 0.000 1.111 363 I CA 1.647 62.833 61.300 -0.190 0.000 1.390 363 I CB -0.301 37.501 38.000 -0.330 0.000 1.072 363 I HN 0.408 nan 8.210 nan 0.000 0.441 364 Y N 2.142 122.450 120.300 0.013 0.000 2.480 364 Y HA 0.052 4.603 4.550 0.001 0.000 0.338 364 Y C 0.801 176.693 175.900 -0.014 0.000 1.220 364 Y CA 0.057 58.158 58.100 0.001 0.000 1.430 364 Y CB 0.218 38.688 38.460 0.016 0.000 1.311 364 Y HN 0.061 nan 8.280 nan 0.000 0.575 365 K N 1.914 122.374 120.400 0.100 0.000 2.143 365 K HA 0.527 4.848 4.320 0.001 0.000 0.272 365 K C 0.459 177.087 176.600 0.046 0.000 1.001 365 K CA 0.439 56.699 56.287 -0.046 0.000 0.915 365 K CB 0.655 32.938 32.500 -0.362 0.000 1.047 365 K HN 0.931 nan 8.250 nan 0.000 0.458 366 G N 1.271 110.119 108.800 0.080 0.000 2.545 366 G HA2 0.146 4.107 3.960 0.001 0.000 0.216 366 G HA3 0.146 4.107 3.960 0.001 0.000 0.216 366 G C -0.002 175.008 174.900 0.182 0.000 1.314 366 G CA -0.456 44.757 45.100 0.188 0.000 0.906 366 G HN 1.221 nan 8.290 nan 0.000 0.563 367 G N -1.362 107.521 108.800 0.139 0.000 2.336 367 G HA2 0.593 4.554 3.960 0.001 0.000 0.286 367 G HA3 0.593 4.554 3.960 0.001 0.000 0.286 367 G C -0.402 174.524 174.900 0.044 0.000 1.269 367 G CA 0.336 45.494 45.100 0.097 0.000 0.873 367 G HN 1.309 nan 8.290 nan 0.000 0.494 368 K N 0.478 120.895 120.400 0.028 0.000 2.405 368 K HA 0.354 4.674 4.320 0.001 0.000 0.276 368 K C 0.831 177.384 176.600 -0.079 0.000 1.099 368 K CA 1.550 57.800 56.287 -0.062 0.000 1.120 368 K CB -0.348 32.058 32.500 -0.157 0.000 0.877 368 K HN 2.156 nan 8.250 nan 0.000 0.472 369 A N 2.805 125.560 122.820 -0.108 0.000 3.988 369 A HA -0.175 4.146 4.320 0.001 0.000 0.193 369 A C -0.976 176.545 177.584 -0.105 0.000 1.133 369 A CA 0.474 52.438 52.037 -0.121 0.000 1.690 369 A CB -2.213 16.709 19.000 -0.130 0.000 0.802 369 A HN 0.950 nan 8.150 nan 0.000 0.729 370 N N -1.079 117.558 118.700 -0.106 0.000 2.484 370 N HA 0.499 5.240 4.740 0.001 0.000 0.269 370 N C -0.322 175.067 175.510 -0.202 0.000 1.237 370 N CA -0.587 52.359 53.050 -0.172 0.000 0.838 370 N CB 0.528 38.887 38.487 -0.213 0.000 1.593 370 N HN -0.041 nan 8.380 nan 0.000 0.485 371 N N -0.278 118.229 118.700 -0.321 0.000 2.551 371 N HA 0.010 4.751 4.740 0.001 0.000 0.199 371 N C -0.848 174.534 175.510 -0.213 0.000 1.277 371 N CA 0.220 53.081 53.050 -0.315 0.000 0.870 371 N CB 0.005 38.245 38.487 -0.412 0.000 1.028 371 N HN 0.540 nan 8.380 nan 0.000 0.452 372 W N 1.482 122.711 121.300 -0.118 0.000 2.238 372 W HA 0.073 4.734 4.660 0.001 0.000 0.321 372 W C 1.609 178.052 176.519 -0.127 0.000 1.293 372 W CA -1.142 56.123 57.345 -0.134 0.000 1.204 372 W CB 0.848 30.199 29.460 -0.181 0.000 1.167 372 W HN 0.010 nan 8.180 nan 0.000 0.553 373 E N 1.972 122.279 120.200 0.179 0.000 2.276 373 E HA -0.298 4.053 4.350 0.001 0.000 0.226 373 E C 2.189 178.747 176.600 -0.069 0.000 1.090 373 E CA 2.106 58.509 56.400 0.004 0.000 0.930 373 E CB -0.955 28.814 29.700 0.116 0.000 0.791 373 E HN 0.851 nan 8.360 nan 0.000 0.467 374 G N -0.242 108.597 108.800 0.066 0.000 2.537 374 G HA2 -0.169 3.792 3.960 0.001 0.000 0.220 374 G HA3 -0.169 3.792 3.960 0.001 0.000 0.220 374 G C 1.425 176.326 174.900 0.002 0.000 1.111 374 G CA 1.192 46.323 45.100 0.053 0.000 0.748 374 G HN 0.429 nan 8.290 nan 0.000 0.564 375 G N -0.174 108.617 108.800 -0.015 0.000 2.747 375 G HA2 0.162 4.122 3.960 0.001 0.000 0.202 375 G HA3 0.162 4.122 3.960 0.001 0.000 0.202 375 G C 1.430 176.278 174.900 -0.087 0.000 1.090 375 G CA 0.232 45.304 45.100 -0.046 0.000 0.779 375 G HN 0.224 nan 8.290 nan 0.000 0.535 376 I N 0.906 121.410 120.570 -0.109 0.000 2.339 376 I HA 0.192 4.363 4.170 0.001 0.000 0.245 376 I C 1.688 177.725 176.117 -0.133 0.000 1.096 376 I CA 0.187 61.415 61.300 -0.120 0.000 1.408 376 I CB -0.958 36.924 38.000 -0.198 0.000 1.092 376 I HN 0.025 nan 8.210 nan 0.000 0.423 377 R N 0.480 120.867 120.500 -0.189 0.000 2.980 377 R HA 0.289 4.630 4.340 0.001 0.000 0.285 377 R C -0.617 175.571 176.300 -0.187 0.000 1.072 377 R CA 0.431 56.387 56.100 -0.241 0.000 1.203 377 R CB 0.594 30.592 30.300 -0.503 0.000 1.163 377 R HN 0.020 nan 8.270 nan 0.000 0.545 378 V N 0.818 120.632 119.914 -0.166 0.000 2.952 378 V HA 0.173 4.294 4.120 0.001 0.000 0.262 378 V C -2.763 173.263 176.094 -0.113 0.000 1.859 378 V CA -1.364 60.855 62.300 -0.135 0.000 0.919 378 V CB 2.058 33.820 31.823 -0.101 0.000 1.378 378 V HN 0.708 nan 8.190 nan 0.000 0.440 379 P HA 0.424 nan 4.420 nan 0.000 0.267 379 P C -0.482 176.821 177.300 0.005 0.000 1.209 379 P CA 0.493 63.450 63.100 -0.237 0.000 0.763 379 P CB 0.636 32.223 31.700 -0.188 0.000 0.816 380 G N 3.583 112.460 108.800 0.129 0.000 2.805 380 G HA2 0.619 4.580 3.960 0.001 0.000 0.283 380 G HA3 0.619 4.580 3.960 0.001 0.000 0.283 380 G C -1.064 173.912 174.900 0.128 0.000 1.508 380 G CA -0.305 44.789 45.100 -0.010 0.000 1.042 380 G HN 0.357 nan 8.290 nan 0.000 0.543 381 I N 2.767 123.444 120.570 0.178 0.000 2.545 381 I HA 0.473 4.643 4.170 0.001 0.000 0.292 381 I C -0.964 175.306 176.117 0.256 0.000 1.040 381 I CA -1.010 60.420 61.300 0.217 0.000 1.068 381 I CB 2.402 40.548 38.000 0.243 0.000 1.251 381 I HN 0.019 nan 8.210 nan 0.000 0.424 382 L N 5.955 127.297 121.223 0.198 0.000 2.410 382 L HA 0.600 4.941 4.340 0.001 0.000 0.270 382 L C -0.535 176.437 176.870 0.169 0.000 0.983 382 L CA -0.526 54.436 54.840 0.204 0.000 0.822 382 L CB 1.895 44.050 42.059 0.160 0.000 1.285 382 L HN 0.649 nan 8.230 nan 0.000 0.409 383 R N 3.087 123.697 120.500 0.183 0.000 2.510 383 R HA 0.331 4.672 4.340 0.001 0.000 0.294 383 R C -2.309 174.154 176.300 0.271 0.000 1.056 383 R CA -0.398 55.814 56.100 0.187 0.000 0.918 383 R CB 1.826 32.210 30.300 0.141 0.000 1.187 383 R HN 0.609 nan 8.270 nan 0.000 0.437 384 W N 8.823 130.148 121.300 0.043 0.000 2.534 384 W HA 0.391 5.051 4.660 0.001 0.000 0.292 384 W C -2.444 174.087 176.519 0.021 0.000 1.027 384 W CA -2.462 54.902 57.345 0.032 0.000 1.304 384 W CB 1.516 30.991 29.460 0.026 0.000 1.187 384 W HN 0.495 nan 8.180 nan 0.000 0.356 385 P HA -0.260 nan 4.420 nan 0.000 0.215 385 P C 1.689 178.919 177.300 -0.117 0.000 1.163 385 P CA 2.519 65.635 63.100 0.026 0.000 0.894 385 P CB 0.109 31.845 31.700 0.061 0.000 0.791 386 R N -0.728 119.633 120.500 -0.230 0.000 2.241 386 R HA -0.070 4.271 4.340 0.001 0.000 0.224 386 R C 1.147 177.139 176.300 -0.514 0.000 1.101 386 R CA 1.252 57.144 56.100 -0.347 0.000 0.995 386 R CB -0.141 29.954 30.300 -0.343 0.000 0.870 386 R HN 0.127 nan 8.270 nan 0.000 0.463 387 V N -0.160 119.339 119.914 -0.692 0.000 3.103 387 V HA 0.177 4.297 4.120 0.001 0.000 0.229 387 V C 0.740 176.684 176.094 -0.251 0.000 1.304 387 V CA -0.059 61.888 62.300 -0.588 0.000 1.298 387 V CB 0.464 31.645 31.823 -1.070 0.000 1.093 387 V HN 0.060 nan 8.190 nan 0.000 0.489 388 I N 1.577 122.079 120.570 -0.113 0.000 2.474 388 I HA 0.257 4.428 4.170 0.001 0.000 0.287 388 I C 0.269 176.382 176.117 -0.006 0.000 1.048 388 I CA -0.088 61.217 61.300 0.009 0.000 1.383 388 I CB 0.740 38.813 38.000 0.121 0.000 1.412 388 I HN 0.207 nan 8.210 nan 0.000 0.531 389 Q N 4.998 124.795 119.800 -0.004 0.000 2.300 389 Q HA 0.307 4.648 4.340 0.001 0.000 0.262 389 Q C -0.183 175.821 176.000 0.008 0.000 1.109 389 Q CA -0.162 55.637 55.803 -0.008 0.000 0.905 389 Q CB 0.766 29.499 28.738 -0.009 0.000 1.280 389 Q HN 0.717 nan 8.270 nan 0.000 0.426 390 A N 3.382 126.206 122.820 0.007 0.000 2.531 390 A HA 0.424 4.745 4.320 0.001 0.000 0.236 390 A C 1.290 178.877 177.584 0.005 0.000 1.062 390 A CA 0.565 52.610 52.037 0.014 0.000 0.760 390 A CB -0.380 18.628 19.000 0.012 0.000 0.995 390 A HN 1.454 nan 8.150 nan 0.000 0.501 391 G N 0.342 109.145 108.800 0.004 0.000 2.176 391 G HA2 -0.250 3.711 3.960 0.001 0.000 0.253 391 G HA3 -0.250 3.711 3.960 0.001 0.000 0.253 391 G C 0.399 175.294 174.900 -0.008 0.000 0.979 391 G CA 0.792 45.888 45.100 -0.007 0.000 0.641 391 G HN 1.192 nan 8.290 nan 0.000 0.530 392 Q N 0.474 120.274 119.800 0.001 0.000 2.535 392 Q HA 0.626 4.967 4.340 0.001 0.000 0.228 392 Q C 0.252 176.250 176.000 -0.003 0.000 1.062 392 Q CA 0.596 56.400 55.803 0.002 0.000 0.967 392 Q CB 0.391 29.136 28.738 0.013 0.000 1.273 392 Q HN 0.413 nan 8.270 nan 0.000 0.554 393 K N 2.540 122.939 120.400 -0.001 0.000 2.695 393 K HA 0.337 4.657 4.320 0.001 0.000 0.255 393 K C -1.581 175.025 176.600 0.010 0.000 1.016 393 K CA -0.222 56.063 56.287 -0.003 0.000 0.928 393 K CB 0.557 33.045 32.500 -0.019 0.000 1.235 393 K HN 0.670 nan 8.250 nan 0.000 0.467 394 I N 3.600 124.184 120.570 0.022 0.000 2.440 394 I HA 0.190 4.360 4.170 0.001 0.000 0.294 394 I C 0.425 176.562 176.117 0.032 0.000 0.995 394 I CA -0.372 60.944 61.300 0.027 0.000 1.306 394 I CB 1.463 39.484 38.000 0.036 0.000 1.407 394 I HN 0.734 nan 8.210 nan 0.000 0.501 395 D N 2.091 122.501 120.400 0.018 0.000 2.500 395 D HA 0.053 4.693 4.640 0.001 0.000 0.218 395 D C 0.289 176.572 176.300 -0.029 0.000 1.140 395 D CA -0.145 53.863 54.000 0.014 0.000 0.830 395 D CB 0.121 40.928 40.800 0.011 0.000 1.055 395 D HN 0.190 nan 8.370 nan 0.000 0.512 396 E N 2.546 122.717 120.200 -0.049 0.000 2.398 396 E HA 0.156 4.507 4.350 0.001 0.000 0.263 396 E C -2.108 174.438 176.600 -0.090 0.000 1.046 396 E CA -1.726 54.589 56.400 -0.141 0.000 0.908 396 E CB 0.370 30.013 29.700 -0.094 0.000 0.963 396 E HN 0.175 nan 8.360 nan 0.000 0.431 397 P HA -0.028 nan 4.420 nan 0.000 0.266 397 P C -0.446 176.882 177.300 0.047 0.000 1.215 397 P CA 0.146 63.210 63.100 -0.060 0.000 0.763 397 P CB 0.164 31.805 31.700 -0.099 0.000 0.806 398 T N -0.171 114.424 114.554 0.069 0.000 2.893 398 T HA 0.514 4.865 4.350 0.001 0.000 0.291 398 T C -0.256 174.405 174.700 -0.066 0.000 1.028 398 T CA -0.868 61.314 62.100 0.137 0.000 0.995 398 T CB 1.557 70.612 68.868 0.312 0.000 1.051 398 T HN 0.263 nan 8.240 nan 0.000 0.470 399 S N 0.318 115.912 115.700 -0.177 0.000 2.638 399 S HA 0.354 4.824 4.470 0.001 0.000 0.298 399 S C 1.094 175.519 174.600 -0.291 0.000 1.111 399 S CA -0.701 57.305 58.200 -0.323 0.000 1.027 399 S CB 1.270 64.220 63.200 -0.417 0.000 1.064 399 S HN 0.801 nan 8.310 nan 0.000 0.525 400 N N 1.962 120.468 118.700 -0.323 0.000 2.244 400 N HA 0.021 4.762 4.740 0.001 0.000 0.183 400 N C 1.457 177.025 175.510 0.097 0.000 1.016 400 N CA 1.635 54.607 53.050 -0.130 0.000 0.866 400 N CB -0.250 38.181 38.487 -0.094 0.000 0.980 400 N HN 0.675 nan 8.380 nan 0.000 0.430 401 M N -0.579 119.009 119.600 -0.020 0.000 2.659 401 M HA 0.030 4.511 4.480 0.001 0.000 0.243 401 M C 0.445 176.763 176.300 0.030 0.000 1.111 401 M CA 0.477 55.768 55.300 -0.016 0.000 1.070 401 M CB 0.156 32.658 32.600 -0.164 0.000 1.525 401 M HN -0.046 nan 8.290 nan 0.000 0.517 402 D N 1.411 121.846 120.400 0.059 0.000 2.269 402 D HA -0.074 4.566 4.640 0.001 0.000 0.208 402 D C 1.897 178.200 176.300 0.005 0.000 0.963 402 D CA 0.996 55.048 54.000 0.086 0.000 0.864 402 D CB -0.153 40.740 40.800 0.155 0.000 0.936 402 D HN 0.599 nan 8.370 nan 0.000 0.505 403 I N -2.120 118.404 120.570 -0.077 0.000 2.761 403 I HA -0.067 4.104 4.170 0.001 0.000 0.261 403 I C 2.120 178.053 176.117 -0.307 0.000 1.198 403 I CA 0.399 61.540 61.300 -0.265 0.000 1.482 403 I CB -0.255 37.463 38.000 -0.471 0.000 1.100 403 I HN -0.205 nan 8.210 nan 0.000 0.445 404 F N 3.864 123.603 119.950 -0.351 0.000 2.065 404 F HA -0.095 4.433 4.527 0.001 0.000 0.298 404 F C -0.495 175.208 175.800 -0.161 0.000 1.112 404 F CA 2.223 60.078 58.000 -0.242 0.000 1.212 404 F CB -1.467 37.494 39.000 -0.066 0.000 0.975 404 F HN 0.104 nan 8.300 nan 0.000 0.476 405 P HA -0.066 nan 4.420 nan 0.000 0.222 405 P C 1.424 178.669 177.300 -0.092 0.000 1.153 405 P CA 1.826 64.940 63.100 0.023 0.000 0.798 405 P CB -0.228 31.548 31.700 0.127 0.000 0.796 406 T N 0.405 114.893 114.554 -0.110 0.000 2.701 406 T HA -0.060 4.290 4.350 0.001 0.000 0.263 406 T C 2.037 176.621 174.700 -0.193 0.000 1.040 406 T CA 1.283 63.307 62.100 -0.126 0.000 1.147 406 T CB -0.964 67.825 68.868 -0.132 0.000 0.865 406 T HN -0.115 nan 8.240 nan 0.000 0.426 407 V N 1.724 121.460 119.914 -0.297 0.000 2.427 407 V HA -0.103 4.018 4.120 0.001 0.000 0.248 407 V C 2.886 178.783 176.094 -0.329 0.000 1.051 407 V CA 1.409 63.499 62.300 -0.350 0.000 1.048 407 V CB -1.225 30.314 31.823 -0.474 0.000 0.666 407 V HN 0.521 nan 8.190 nan 0.000 0.456 408 A N 0.164 122.775 122.820 -0.348 0.000 1.883 408 A HA -0.310 4.010 4.320 0.001 0.000 0.217 408 A C 2.311 179.782 177.584 -0.188 0.000 1.186 408 A CA 2.448 54.296 52.037 -0.315 0.000 0.624 408 A CB -0.494 18.284 19.000 -0.369 0.000 0.822 408 A HN 0.540 nan 8.150 nan 0.000 0.444 409 K N -0.912 119.404 120.400 -0.139 0.000 1.985 409 K HA -0.139 4.182 4.320 0.001 0.000 0.210 409 K C 1.787 178.356 176.600 -0.051 0.000 1.047 409 K CA 1.512 57.758 56.287 -0.069 0.000 0.932 409 K CB -0.378 32.099 32.500 -0.038 0.000 0.716 409 K HN 0.233 nan 8.250 nan 0.000 0.439 410 L N 0.836 122.013 121.223 -0.076 0.000 2.103 410 L HA -0.216 4.125 4.340 0.001 0.000 0.215 410 L C 2.220 179.085 176.870 -0.007 0.000 1.080 410 L CA 2.198 57.007 54.840 -0.051 0.000 0.764 410 L CB -0.832 41.122 42.059 -0.176 0.000 0.890 410 L HN 0.362 nan 8.230 nan 0.000 0.435 411 A N -1.848 120.931 122.820 -0.067 0.000 2.275 411 A HA 0.431 4.752 4.320 0.001 0.000 0.212 411 A C 1.752 179.367 177.584 0.051 0.000 1.201 411 A CA 0.657 52.713 52.037 0.031 0.000 0.843 411 A CB -0.504 18.341 19.000 -0.259 0.000 0.873 411 A HN 0.554 nan 8.150 nan 0.000 0.492 412 G N -1.529 107.273 108.800 0.003 0.000 2.153 412 G HA2 0.040 4.001 3.960 0.001 0.000 0.252 412 G HA3 0.040 4.001 3.960 0.001 0.000 0.252 412 G C 0.380 175.273 174.900 -0.012 0.000 0.994 412 G CA 0.434 45.539 45.100 0.008 0.000 0.698 412 G HN 1.598 nan 8.290 nan 0.000 0.521 413 A N 0.369 123.158 122.820 -0.052 0.000 2.328 413 A HA 0.733 5.053 4.320 0.001 0.000 0.284 413 A C -1.653 175.891 177.584 -0.068 0.000 1.160 413 A CA -1.159 50.837 52.037 -0.067 0.000 0.818 413 A CB 0.661 19.586 19.000 -0.125 0.000 1.087 413 A HN 0.164 nan 8.150 nan 0.000 0.504 414 P HA 0.273 nan 4.420 nan 0.000 0.275 414 P C -0.418 176.873 177.300 -0.014 0.000 1.227 414 P CA -0.403 62.685 63.100 -0.018 0.000 0.781 414 P CB 0.500 32.200 31.700 -0.001 0.000 0.906 415 L N 5.851 127.079 121.223 0.010 0.000 2.439 415 L HA 0.289 4.630 4.340 0.001 0.000 0.269 415 L C -1.821 175.101 176.870 0.087 0.000 1.179 415 L CA -1.462 53.416 54.840 0.064 0.000 0.828 415 L CB -0.590 41.520 42.059 0.084 0.000 1.106 415 L HN 0.359 nan 8.230 nan 0.000 0.467 416 P HA 0.116 nan 4.420 nan 0.000 0.276 416 P C -0.656 176.691 177.300 0.078 0.000 1.235 416 P CA -0.142 63.021 63.100 0.106 0.000 0.772 416 P CB 0.759 32.540 31.700 0.135 0.000 0.871 417 E N 1.028 121.261 120.200 0.055 0.000 2.415 417 E HA -0.069 4.282 4.350 0.001 0.000 0.197 417 E C 0.771 177.393 176.600 0.037 0.000 1.007 417 E CA 0.287 56.713 56.400 0.044 0.000 0.890 417 E CB 0.162 29.884 29.700 0.036 0.000 0.891 417 E HN 0.556 nan 8.360 nan 0.000 0.496 418 D N 1.187 121.609 120.400 0.036 0.000 2.349 418 D HA -0.085 4.555 4.640 0.001 0.000 0.224 418 D C 0.654 176.970 176.300 0.027 0.000 1.029 418 D CA 0.272 54.289 54.000 0.029 0.000 0.879 418 D CB -0.037 40.780 40.800 0.027 0.000 0.906 418 D HN 0.108 nan 8.370 nan 0.000 0.528 419 R N -0.660 119.859 120.500 0.031 0.000 2.781 419 R HA 0.540 4.881 4.340 0.001 0.000 0.269 419 R C -1.118 175.198 176.300 0.026 0.000 1.025 419 R CA -1.146 54.967 56.100 0.022 0.000 0.914 419 R CB 0.788 31.096 30.300 0.014 0.000 1.236 419 R HN 0.017 nan 8.270 nan 0.000 0.465 420 I N 0.425 121.007 120.570 0.021 0.000 2.499 420 I HA 0.426 4.597 4.170 0.001 0.000 0.296 420 I C -0.937 175.185 176.117 0.008 0.000 0.992 420 I CA -0.613 60.707 61.300 0.033 0.000 1.297 420 I CB 1.082 39.115 38.000 0.055 0.000 1.410 420 I HN 0.485 nan 8.210 nan 0.000 0.507 421 I N 6.600 127.181 120.570 0.018 0.000 2.389 421 I HA 0.291 4.462 4.170 0.001 0.000 0.288 421 I C 0.413 176.531 176.117 0.001 0.000 0.999 421 I CA -0.253 61.030 61.300 -0.028 0.000 1.129 421 I CB 1.218 39.234 38.000 0.028 0.000 1.288 421 I HN 0.697 nan 8.210 nan 0.000 0.444 422 D N 4.099 124.462 120.400 -0.062 0.000 2.183 422 D HA -0.003 4.638 4.640 0.001 0.000 0.205 422 D C 1.264 177.567 176.300 0.005 0.000 0.962 422 D CA 0.493 54.466 54.000 -0.045 0.000 0.849 422 D CB 0.499 41.102 40.800 -0.327 0.000 0.978 422 D HN 0.659 nan 8.370 nan 0.000 0.488 423 G N 0.887 109.663 108.800 -0.041 0.000 2.559 423 G HA2 0.144 4.105 3.960 0.001 0.000 0.235 423 G HA3 0.144 4.105 3.960 0.001 0.000 0.235 423 G C 0.127 175.090 174.900 0.104 0.000 1.266 423 G CA -0.207 44.927 45.100 0.056 0.000 0.847 423 G HN -0.053 nan 8.290 nan 0.000 0.583 424 R N 0.775 121.351 120.500 0.127 0.000 2.513 424 R HA 0.198 4.539 4.340 0.001 0.000 0.301 424 R C -0.735 175.583 176.300 0.030 0.000 0.968 424 R CA -0.948 55.161 56.100 0.016 0.000 0.872 424 R CB 1.809 31.984 30.300 -0.210 0.000 1.177 424 R HN 0.766 nan 8.270 nan 0.000 0.444 425 D N 2.362 122.771 120.400 0.015 0.000 2.548 425 D HA -0.082 4.559 4.640 0.001 0.000 0.231 425 D C 0.622 176.927 176.300 0.009 0.000 1.142 425 D CA 0.194 54.198 54.000 0.006 0.000 0.866 425 D CB 0.804 41.605 40.800 0.002 0.000 1.190 425 D HN 0.383 nan 8.370 nan 0.000 0.469 426 L N 1.385 122.616 121.223 0.013 0.000 3.069 426 L HA 0.314 4.655 4.340 0.001 0.000 0.271 426 L C 1.420 178.311 176.870 0.036 0.000 1.201 426 L CA -0.389 54.468 54.840 0.028 0.000 1.015 426 L CB -0.235 41.850 42.059 0.042 0.000 1.371 426 L HN 0.293 nan 8.230 nan 0.000 0.574 427 M N 0.948 120.572 119.600 0.040 0.000 2.132 427 M HA 0.075 4.555 4.480 0.001 0.000 0.263 427 M C -0.334 175.999 176.300 0.055 0.000 1.065 427 M CA 1.349 56.692 55.300 0.071 0.000 1.122 427 M CB -1.553 31.103 32.600 0.093 0.000 1.365 427 M HN 0.171 nan 8.290 nan 0.000 0.411 428 P HA -0.115 nan 4.420 nan 0.000 0.218 428 P C 1.680 178.995 177.300 0.025 0.000 1.149 428 P CA 0.917 64.033 63.100 0.026 0.000 0.817 428 P CB -0.069 31.642 31.700 0.018 0.000 0.785 429 L N -1.788 119.452 121.223 0.029 0.000 2.179 429 L HA 0.001 4.341 4.340 0.001 0.000 0.208 429 L C 1.782 178.673 176.870 0.034 0.000 1.096 429 L CA 1.644 56.501 54.840 0.029 0.000 0.779 429 L CB -0.998 41.081 42.059 0.033 0.000 0.922 429 L HN -0.135 nan 8.230 nan 0.000 0.443 430 L N -1.042 120.209 121.223 0.046 0.000 2.446 430 L HA 0.061 4.402 4.340 0.001 0.000 0.219 430 L C 1.856 178.753 176.870 0.045 0.000 1.116 430 L CA 0.966 55.839 54.840 0.055 0.000 0.844 430 L CB -0.384 41.725 42.059 0.083 0.000 0.970 430 L HN 0.256 nan 8.230 nan 0.000 0.457 431 E N -0.889 119.333 120.200 0.035 0.000 2.476 431 E HA 0.204 4.555 4.350 0.001 0.000 0.196 431 E C 1.410 178.013 176.600 0.005 0.000 1.029 431 E CA 0.465 56.873 56.400 0.013 0.000 0.896 431 E CB 0.208 29.914 29.700 0.009 0.000 1.012 431 E HN 0.381 nan 8.360 nan 0.000 0.475 432 G N 2.376 111.183 108.800 0.012 0.000 2.196 432 G HA2 -0.401 3.560 3.960 0.001 0.000 0.268 432 G HA3 -0.401 3.560 3.960 0.001 0.000 0.268 432 G C 0.964 175.868 174.900 0.006 0.000 0.975 432 G CA 0.943 46.048 45.100 0.007 0.000 0.648 432 G HN 0.291 nan 8.290 nan 0.000 0.538 433 K N -0.134 120.271 120.400 0.007 0.000 2.519 433 K HA 0.209 4.530 4.320 0.001 0.000 0.196 433 K C 1.065 177.670 176.600 0.008 0.000 1.041 433 K CA 1.002 57.292 56.287 0.006 0.000 0.954 433 K CB 0.053 32.557 32.500 0.007 0.000 0.774 433 K HN 0.384 nan 8.250 nan 0.000 0.480 434 S N -0.949 114.757 115.700 0.011 0.000 2.550 434 S HA 0.208 4.679 4.470 0.001 0.000 0.270 434 S C -0.552 174.056 174.600 0.014 0.000 1.145 434 S CA -0.784 57.423 58.200 0.012 0.000 0.852 434 S CB 1.579 64.787 63.200 0.012 0.000 1.119 434 S HN -0.031 nan 8.310 nan 0.000 0.465 435 Q N 1.290 121.100 119.800 0.017 0.000 2.280 435 Q HA 0.304 4.645 4.340 0.001 0.000 0.228 435 Q C 0.262 176.278 176.000 0.027 0.000 0.857 435 Q CA 0.217 56.031 55.803 0.019 0.000 0.939 435 Q CB 0.579 29.327 28.738 0.017 0.000 1.114 435 Q HN 0.581 nan 8.270 nan 0.000 0.514 436 R N 1.291 121.811 120.500 0.032 0.000 2.621 436 R HA 0.373 4.713 4.340 0.001 0.000 0.292 436 R C -0.565 175.753 176.300 0.029 0.000 0.969 436 R CA -0.114 56.015 56.100 0.049 0.000 0.887 436 R CB 1.459 31.811 30.300 0.086 0.000 1.180 436 R HN 0.060 nan 8.270 nan 0.000 0.450 437 S N 1.415 117.126 115.700 0.018 0.000 2.592 437 S HA 0.014 4.485 4.470 0.001 0.000 0.271 437 S C 0.330 174.909 174.600 -0.035 0.000 1.326 437 S CA -0.667 57.530 58.200 -0.004 0.000 1.024 437 S CB 1.388 64.614 63.200 0.044 0.000 0.921 437 S HN 0.641 nan 8.310 nan 0.000 0.527 438 D N 0.621 120.925 120.400 -0.161 0.000 3.008 438 D HA 0.037 4.678 4.640 0.001 0.000 0.242 438 D C -0.431 175.683 176.300 -0.310 0.000 1.222 438 D CA -0.077 53.811 54.000 -0.186 0.000 0.883 438 D CB -0.743 39.946 40.800 -0.185 0.000 1.110 438 D HN 0.573 nan 8.370 nan 0.000 0.455 439 H N 0.241 119.345 119.070 0.057 0.000 2.439 439 H HA 0.104 4.661 4.556 0.001 0.000 0.230 439 H C 0.853 176.215 175.328 0.057 0.000 1.420 439 H CA -0.108 55.967 56.048 0.046 0.000 1.305 439 H CB 0.351 30.114 29.762 0.001 0.000 1.667 439 H HN 0.434 nan 8.280 nan 0.000 0.515 440 E N 0.292 120.584 120.200 0.153 0.000 2.435 440 E HA 0.024 4.375 4.350 0.001 0.000 0.195 440 E C -0.494 176.063 176.600 -0.073 0.000 1.029 440 E CA 0.524 56.937 56.400 0.021 0.000 0.865 440 E CB 0.397 30.042 29.700 -0.092 0.000 0.833 440 E HN 0.140 nan 8.360 nan 0.000 0.510 441 F N 1.342 121.373 119.950 0.136 0.000 2.810 441 F HA 0.392 4.919 4.527 0.001 0.000 0.373 441 F C -0.865 174.684 175.800 -0.418 0.000 1.174 441 F CA -0.925 57.012 58.000 -0.105 0.000 1.141 441 F CB 1.294 40.240 39.000 -0.090 0.000 1.420 441 F HN -0.073 nan 8.300 nan 0.000 0.518 442 L N 3.562 124.597 121.223 -0.314 0.000 2.329 442 L HA 0.577 4.917 4.340 0.001 0.000 0.279 442 L C -0.925 175.440 176.870 -0.841 0.000 1.014 442 L CA -0.785 53.778 54.840 -0.462 0.000 0.814 442 L CB 1.731 43.596 42.059 -0.323 0.000 1.257 442 L HN 0.336 nan 8.230 nan 0.000 0.424 443 F N 1.133 120.888 119.950 -0.325 0.000 2.450 443 F HA 0.428 4.955 4.527 0.001 0.000 0.332 443 F C 0.270 175.685 175.800 -0.643 0.000 1.093 443 F CA -0.710 56.947 58.000 -0.572 0.000 1.003 443 F CB 1.182 39.720 39.000 -0.771 0.000 1.151 443 F HN 0.326 nan 8.300 nan 0.000 0.474 444 H N 2.970 121.901 119.070 -0.232 0.000 2.685 444 H HA 0.247 4.803 4.556 0.001 0.000 0.307 444 H C -1.090 174.038 175.328 -0.334 0.000 1.017 444 H CA -0.609 55.303 56.048 -0.227 0.000 1.237 444 H CB 0.746 30.317 29.762 -0.319 0.000 1.409 444 H HN 0.574 nan 8.280 nan 0.000 0.488 445 Y N 0.460 120.695 120.300 -0.109 0.000 2.374 445 Y HA 0.177 4.728 4.550 0.001 0.000 0.322 445 Y C 0.686 176.503 175.900 -0.140 0.000 1.275 445 Y CA -0.399 57.609 58.100 -0.152 0.000 1.307 445 Y CB 1.412 39.754 38.460 -0.196 0.000 1.282 445 Y HN 0.531 nan 8.280 nan 0.000 0.509 446 c N 4.959 123.596 118.600 0.063 0.000 3.003 446 c HA 0.412 4.983 4.570 0.001 0.000 0.241 446 c C -0.075 173.927 174.090 -0.147 0.000 1.224 446 c CA -0.735 55.595 56.329 0.001 0.000 1.560 446 c CB -2.831 39.791 42.510 0.186 0.000 1.768 446 c HN 1.120 nan 8.230 nan 0.000 0.440 447 N N 1.645 120.173 118.700 -0.286 0.000 1.339 447 N HA -0.304 4.437 4.740 0.001 0.000 0.161 447 N C 1.073 176.192 175.510 -0.651 0.000 0.847 447 N CA 1.093 53.811 53.050 -0.553 0.000 1.038 447 N CB -1.303 36.768 38.487 -0.693 0.000 1.322 447 N HN 0.630 nan 8.380 nan 0.000 0.494 448 A N 0.007 122.178 122.820 -1.083 0.000 2.123 448 A HA 0.130 4.450 4.320 0.001 0.000 0.214 448 A C 0.143 177.299 177.584 -0.714 0.000 1.152 448 A CA 0.585 51.840 52.037 -1.305 0.000 0.728 448 A CB -0.349 16.991 19.000 -2.766 0.000 0.814 448 A HN 0.424 nan 8.150 nan 0.000 0.464 449 Y N -0.233 119.916 120.300 -0.251 0.000 2.436 449 Y HA 0.321 4.871 4.550 0.001 0.000 0.343 449 Y C 0.295 176.267 175.900 0.120 0.000 1.008 449 Y CA -1.065 57.041 58.100 0.011 0.000 1.241 449 Y CB 0.596 39.046 38.460 -0.015 0.000 1.153 449 Y HN 0.115 nan 8.280 nan 0.000 0.521 450 L N 5.432 126.770 121.223 0.191 0.000 2.617 450 L HA 0.013 4.354 4.340 0.001 0.000 0.282 450 L C 0.521 177.258 176.870 -0.222 0.000 1.174 450 L CA 0.526 55.158 54.840 -0.347 0.000 1.016 450 L CB -1.117 40.694 42.059 -0.413 0.000 1.337 450 L HN 0.714 nan 8.230 nan 0.000 0.460 451 N N 2.741 121.251 118.700 -0.317 0.000 2.141 451 N HA 0.129 4.870 4.740 0.001 0.000 0.187 451 N C 0.653 175.628 175.510 -0.891 0.000 1.066 451 N CA 0.618 53.231 53.050 -0.728 0.000 0.931 451 N CB 0.117 38.197 38.487 -0.677 0.000 1.086 451 N HN 0.703 nan 8.380 nan 0.000 0.471 452 A N 0.073 122.389 122.820 -0.839 0.000 2.257 452 A HA 0.523 4.844 4.320 0.001 0.000 0.290 452 A C -0.760 176.422 177.584 -0.671 0.000 1.201 452 A CA -0.298 51.150 52.037 -0.983 0.000 0.863 452 A CB 1.036 19.174 19.000 -1.435 0.000 1.256 452 A HN 0.316 nan 8.150 nan 0.000 0.506 453 V N 0.075 119.687 119.914 -0.503 0.000 2.697 453 V HA 0.460 4.580 4.120 0.001 0.000 0.296 453 V C -0.494 175.561 176.094 -0.066 0.000 1.140 453 V CA -0.587 61.562 62.300 -0.252 0.000 0.921 453 V CB 1.288 32.978 31.823 -0.221 0.000 1.036 453 V HN 1.008 nan 8.190 nan 0.000 0.438 454 R N 4.229 124.732 120.500 0.005 0.000 2.560 454 R HA 0.508 4.849 4.340 0.001 0.000 0.270 454 R C -1.703 174.740 176.300 0.238 0.000 1.074 454 R CA -0.503 55.681 56.100 0.139 0.000 1.140 454 R CB 1.261 31.670 30.300 0.182 0.000 1.073 454 R HN 0.733 nan 8.270 nan 0.000 0.527 455 W N 3.084 124.422 121.300 0.063 0.000 3.097 455 W HA 0.147 4.808 4.660 0.001 0.000 0.325 455 W C -1.615 174.943 176.519 0.064 0.000 1.056 455 W CA -0.742 56.614 57.345 0.018 0.000 1.254 455 W CB 0.442 29.966 29.460 0.107 0.000 1.202 455 W HN 0.590 nan 8.180 nan 0.000 0.400 456 H N 7.533 126.427 119.070 -0.293 0.000 2.702 456 H HA 0.464 5.021 4.556 0.001 0.000 0.252 456 H C -2.030 172.910 175.328 -0.645 0.000 1.493 456 H CA -2.310 53.510 56.048 -0.379 0.000 1.273 456 H CB 0.622 30.275 29.762 -0.181 0.000 1.537 456 H HN -0.000 nan 8.280 nan 0.000 0.547 457 P HA -0.136 nan 4.420 nan 0.000 0.261 457 P C 0.767 177.645 177.300 -0.704 0.000 1.173 457 P CA 0.281 62.666 63.100 -1.192 0.000 0.760 457 P CB 1.175 32.194 31.700 -1.135 0.000 0.783 458 Q N 4.169 123.725 119.800 -0.407 0.000 2.028 458 Q HA -0.234 4.107 4.340 0.001 0.000 0.213 458 Q C 0.943 176.803 176.000 -0.233 0.000 1.017 458 Q CA 2.091 57.754 55.803 -0.234 0.000 0.875 458 Q CB -0.526 28.166 28.738 -0.075 0.000 0.962 458 Q HN 0.464 nan 8.270 nan 0.000 0.413 459 N N 0.087 118.678 118.700 -0.182 0.000 2.597 459 N HA 0.126 4.866 4.740 0.001 0.000 0.269 459 N C -0.971 174.440 175.510 -0.164 0.000 1.204 459 N CA 0.177 53.146 53.050 -0.135 0.000 0.947 459 N CB 0.610 39.057 38.487 -0.068 0.000 1.258 459 N HN 0.105 nan 8.380 nan 0.000 0.508 460 S N -1.412 114.124 115.700 -0.272 0.000 2.625 460 S HA 0.311 4.781 4.470 0.001 0.000 0.271 460 S C 0.094 174.517 174.600 -0.296 0.000 1.161 460 S CA -0.430 57.624 58.200 -0.245 0.000 0.820 460 S CB 1.683 64.742 63.200 -0.234 0.000 1.137 460 S HN 0.022 nan 8.310 nan 0.000 0.470 461 T N 1.113 115.565 114.554 -0.170 0.000 3.174 461 T HA 0.402 4.752 4.350 0.001 0.000 0.269 461 T C 0.073 174.710 174.700 -0.106 0.000 1.017 461 T CA 0.019 62.083 62.100 -0.061 0.000 0.899 461 T CB -0.333 68.524 68.868 -0.018 0.000 1.077 461 T HN 0.439 nan 8.240 nan 0.000 0.552 462 S N 0.901 116.451 115.700 -0.251 0.000 2.585 462 S HA 0.621 5.092 4.470 0.001 0.000 0.277 462 S C -0.156 174.173 174.600 -0.451 0.000 1.241 462 S CA -0.660 57.286 58.200 -0.423 0.000 1.041 462 S CB 0.372 63.182 63.200 -0.650 0.000 0.987 462 S HN 0.431 nan 8.310 nan 0.000 0.512 463 I N 4.289 124.609 120.570 -0.417 0.000 2.412 463 I HA 0.242 4.413 4.170 0.001 0.000 0.279 463 I C -0.960 175.058 176.117 -0.164 0.000 1.063 463 I CA -0.411 60.771 61.300 -0.197 0.000 1.193 463 I CB 0.459 38.433 38.000 -0.044 0.000 1.370 463 I HN 0.652 nan 8.210 nan 0.000 0.479 464 W N 6.317 127.695 121.300 0.129 0.000 2.419 464 W HA 0.274 4.934 4.660 0.001 0.000 0.312 464 W C 0.608 177.288 176.519 0.268 0.000 1.323 464 W CA -0.546 56.946 57.345 0.245 0.000 1.293 464 W CB 0.559 30.264 29.460 0.409 0.000 1.324 464 W HN 0.285 nan 8.180 nan 0.000 0.512 465 K N 3.409 124.115 120.400 0.509 0.000 2.559 465 K HA 0.624 4.944 4.320 0.001 0.000 0.249 465 K C -0.346 176.490 176.600 0.393 0.000 0.958 465 K CA -0.491 56.003 56.287 0.345 0.000 0.901 465 K CB 0.697 33.386 32.500 0.315 0.000 1.124 465 K HN 0.529 nan 8.250 nan 0.000 0.437 466 A N 3.169 126.103 122.820 0.190 0.000 2.271 466 A HA 0.708 5.029 4.320 0.001 0.000 0.288 466 A C -1.054 176.518 177.584 -0.021 0.000 1.094 466 A CA -0.380 51.818 52.037 0.269 0.000 0.828 466 A CB 0.269 19.428 19.000 0.265 0.000 1.091 466 A HN 0.628 nan 8.150 nan 0.000 0.493 467 F N 0.480 120.567 119.950 0.229 0.000 2.949 467 F HA 0.300 4.827 4.527 0.001 0.000 0.376 467 F C 0.391 176.388 175.800 0.330 0.000 1.205 467 F CA -0.585 57.470 58.000 0.091 0.000 1.155 467 F CB 0.923 39.932 39.000 0.014 0.000 1.495 467 F HN 0.665 nan 8.300 nan 0.000 0.551 468 F N 1.752 121.742 119.950 0.066 0.000 2.346 468 F HA -0.169 4.359 4.527 0.001 0.000 0.301 468 F C 0.716 176.678 175.800 0.271 0.000 1.070 468 F CA 0.736 58.861 58.000 0.207 0.000 1.407 468 F CB -0.182 38.944 39.000 0.209 0.000 1.072 468 F HN 0.387 nan 8.300 nan 0.000 0.543 469 F N -1.931 118.126 119.950 0.179 0.000 3.194 469 F HA 0.571 5.099 4.527 0.001 0.000 0.327 469 F C -1.043 174.731 175.800 -0.043 0.000 1.141 469 F CA -1.053 56.823 58.000 -0.207 0.000 0.862 469 F CB 1.005 39.649 39.000 -0.593 0.000 1.447 469 F HN -0.308 nan 8.300 nan 0.000 0.479 470 T N -2.145 112.510 114.554 0.167 0.000 2.802 470 T HA 0.652 5.003 4.350 0.001 0.000 0.311 470 T C -3.168 171.641 174.700 0.181 0.000 1.405 470 T CA -1.717 60.381 62.100 -0.004 0.000 1.016 470 T CB 2.048 70.961 68.868 0.075 0.000 1.352 470 T HN 0.497 nan 8.240 nan 0.000 0.498 471 P HA 0.332 nan 4.420 nan 0.000 0.335 471 P C -0.347 177.057 177.300 0.173 0.000 1.416 471 P CA -0.271 62.899 63.100 0.116 0.000 0.828 471 P CB 0.225 31.917 31.700 -0.012 0.000 1.966 472 N N -1.965 116.852 118.700 0.195 0.000 3.029 472 N HA 0.152 4.893 4.740 0.001 0.000 0.198 472 N C -1.016 174.685 175.510 0.318 0.000 1.444 472 N CA -0.221 52.973 53.050 0.240 0.000 0.784 472 N CB -0.338 38.285 38.487 0.225 0.000 1.539 472 N HN 0.259 nan 8.380 nan 0.000 0.582 473 F N 1.739 121.799 119.950 0.183 0.000 2.500 473 F HA -0.217 4.311 4.527 0.001 0.000 0.409 473 F C 2.063 177.949 175.800 0.144 0.000 0.982 473 F CA 0.502 58.602 58.000 0.166 0.000 1.163 473 F CB 0.694 39.792 39.000 0.164 0.000 0.942 473 F HN 0.446 nan 8.300 nan 0.000 0.535 474 N N 6.144 125.042 118.700 0.330 0.000 2.014 474 N HA -0.123 4.618 4.740 0.001 0.000 0.194 474 N C -1.648 173.912 175.510 0.083 0.000 1.083 474 N CA 0.429 53.591 53.050 0.186 0.000 0.870 474 N CB -0.942 37.657 38.487 0.185 0.000 1.061 474 N HN 0.240 nan 8.380 nan 0.000 0.427 475 P HA 0.056 nan 4.420 nan 0.000 0.268 475 P C 0.127 177.366 177.300 -0.102 0.000 1.485 475 P CA 0.123 63.158 63.100 -0.107 0.000 1.102 475 P CB 0.628 32.168 31.700 -0.266 0.000 1.501 482 F N 1.128 121.056 119.950 -0.036 0.000 2.664 482 F HA -0.003 4.524 4.527 0.001 0.000 0.297 482 F C 2.252 178.058 175.800 0.010 0.000 1.164 482 F CA 1.282 59.263 58.000 -0.031 0.000 1.472 482 F CB -0.418 38.533 39.000 -0.081 0.000 1.108 482 F HN 0.571 nan 8.300 nan 0.000 0.596 483 A N -0.446 122.492 122.820 0.198 0.000 1.824 483 A HA -0.224 4.097 4.320 0.001 0.000 0.215 483 A C 2.234 179.897 177.584 0.132 0.000 1.209 483 A CA 2.209 54.339 52.037 0.154 0.000 0.614 483 A CB -1.290 17.806 19.000 0.161 0.000 0.852 483 A HN 0.271 nan 8.150 nan 0.000 0.447 484 T N -2.835 111.772 114.554 0.088 0.000 3.188 484 T HA 0.118 4.469 4.350 0.001 0.000 0.250 484 T C 0.749 175.493 174.700 0.073 0.000 1.077 484 T CA 1.095 63.237 62.100 0.070 0.000 0.967 484 T CB -0.677 68.166 68.868 -0.042 0.000 1.006 484 T HN 0.724 nan 8.240 nan 0.000 0.552 485 H N -1.868 117.154 119.070 -0.080 0.000 4.515 485 H HA -0.164 4.393 4.556 0.001 0.000 0.114 485 H C -0.747 174.504 175.328 -0.128 0.000 0.658 485 H CA 0.932 56.907 56.048 -0.122 0.000 1.231 485 H CB -1.013 28.718 29.762 -0.052 0.000 0.647 485 H HN 0.345 nan 8.280 nan 0.000 0.590 486 V N 0.619 120.413 119.914 -0.200 0.000 2.882 486 V HA 0.252 4.373 4.120 0.001 0.000 0.295 486 V C 0.022 175.775 176.094 -0.568 0.000 1.273 486 V CA -0.193 61.935 62.300 -0.287 0.000 0.949 486 V CB 1.592 33.236 31.823 -0.299 0.000 1.071 486 V HN 0.413 nan 8.190 nan 0.000 0.432 487 c N 4.842 123.238 118.600 -0.340 0.000 2.745 487 c HA 0.448 5.018 4.570 0.001 0.000 0.387 487 c C 0.340 174.131 174.090 -0.499 0.000 1.312 487 c CA 0.128 56.237 56.329 -0.367 0.000 2.204 487 c CB -0.211 42.247 42.510 -0.087 0.000 2.686 487 c HN 0.670 nan 8.230 nan 0.000 0.705 488 F N -0.049 119.833 119.950 -0.113 0.000 2.747 488 F HA 0.475 5.003 4.527 0.001 0.000 0.376 488 F C 1.095 176.893 175.800 -0.004 0.000 1.256 488 F CA -0.827 57.082 58.000 -0.150 0.000 1.121 488 F CB -0.069 38.694 39.000 -0.396 0.000 1.654 488 F HN 0.493 nan 8.300 nan 0.000 0.491 489 c N -1.106 117.660 118.600 0.277 0.000 4.027 489 c HA 0.255 4.826 4.570 0.001 0.000 0.351 489 c C 1.884 175.956 174.090 -0.029 0.000 1.634 489 c CA -0.661 55.766 56.329 0.164 0.000 1.897 489 c CB -1.069 41.633 42.510 0.320 0.000 2.949 489 c HN 0.600 nan 8.230 nan 0.000 0.684 490 F N 3.038 123.079 119.950 0.151 0.000 2.001 490 F HA 0.231 4.759 4.527 0.001 0.000 0.301 490 F C 2.185 177.879 175.800 -0.176 0.000 1.293 490 F CA 3.015 61.043 58.000 0.046 0.000 1.196 490 F CB -0.751 38.480 39.000 0.386 0.000 0.944 490 F HN 0.296 nan 8.300 nan 0.000 0.525 491 G N -3.185 105.780 108.800 0.275 0.000 4.120 491 G HA2 -0.058 3.902 3.960 0.001 0.000 0.209 491 G HA3 -0.058 3.902 3.960 0.001 0.000 0.209 491 G C 1.074 175.924 174.900 -0.083 0.000 1.430 491 G CA 0.319 45.424 45.100 0.008 0.000 0.975 491 G HN 0.192 nan 8.290 nan 0.000 0.525 492 S N 0.847 116.332 115.700 -0.359 0.000 2.571 492 S HA -0.013 4.457 4.470 0.001 0.000 0.245 492 S C 0.762 174.992 174.600 -0.617 0.000 0.976 492 S CA 1.406 59.242 58.200 -0.607 0.000 0.954 492 S CB -0.417 62.251 63.200 -0.887 0.000 0.756 492 S HN 0.660 nan 8.310 nan 0.000 0.535 493 Y N -2.083 118.298 120.300 0.135 0.000 2.890 493 Y HA 0.550 5.101 4.550 0.001 0.000 0.266 493 Y C -0.090 175.885 175.900 0.125 0.000 1.090 493 Y CA -0.896 57.305 58.100 0.168 0.000 1.258 493 Y CB -0.278 38.350 38.460 0.281 0.000 1.346 493 Y HN -0.056 nan 8.280 nan 0.000 0.578 494 V N 0.796 120.831 119.914 0.203 0.000 2.769 494 V HA 0.651 4.771 4.120 0.001 0.000 0.312 494 V C -0.401 175.694 176.094 0.002 0.000 1.061 494 V CA -0.475 61.865 62.300 0.066 0.000 0.931 494 V CB 2.383 34.086 31.823 -0.200 0.000 1.010 494 V HN 0.246 nan 8.190 nan 0.000 0.433 495 T N 3.460 118.011 114.554 -0.004 0.000 2.991 495 T HA 0.405 4.756 4.350 0.001 0.000 0.347 495 T C -0.274 174.275 174.700 -0.253 0.000 1.122 495 T CA -0.384 61.694 62.100 -0.037 0.000 1.062 495 T CB -0.116 68.792 68.868 0.066 0.000 1.043 495 T HN 0.610 nan 8.240 nan 0.000 0.491 496 H N 2.646 121.636 119.070 -0.134 0.000 2.801 496 H HA 0.176 4.733 4.556 0.001 0.000 0.377 496 H C 0.074 175.235 175.328 -0.278 0.000 1.304 496 H CA 0.650 56.613 56.048 -0.142 0.000 1.451 496 H CB 0.608 30.364 29.762 -0.009 0.000 1.474 496 H HN 0.536 nan 8.280 nan 0.000 0.620 497 H N 0.820 120.111 119.070 0.369 0.000 2.806 497 H HA 0.201 4.758 4.556 0.001 0.000 0.367 497 H C -0.580 174.863 175.328 0.192 0.000 1.136 497 H CA -0.832 55.373 56.048 0.262 0.000 1.178 497 H CB 1.909 31.842 29.762 0.285 0.000 1.718 497 H HN 0.656 nan 8.280 nan 0.000 0.540 498 D N 2.110 122.670 120.400 0.267 0.000 2.591 498 D HA 0.235 4.875 4.640 0.001 0.000 0.222 498 D C -2.569 173.798 176.300 0.110 0.000 1.360 498 D CA -1.148 52.932 54.000 0.133 0.000 0.967 498 D CB 1.210 42.044 40.800 0.057 0.000 1.456 498 D HN 0.173 nan 8.370 nan 0.000 0.588 499 P HA 0.295 nan 4.420 nan 0.000 0.270 499 P C -2.594 174.845 177.300 0.231 0.000 1.227 499 P CA -0.741 62.427 63.100 0.113 0.000 0.788 499 P CB -0.291 31.485 31.700 0.125 0.000 0.926 500 P HA -0.007 nan 4.420 nan 0.000 0.262 500 P C -0.087 177.430 177.300 0.362 0.000 1.182 500 P CA 0.115 63.388 63.100 0.289 0.000 0.761 500 P CB 0.242 32.068 31.700 0.210 0.000 0.795 501 L N 4.396 125.863 121.223 0.408 0.000 2.499 501 L HA 0.187 4.528 4.340 0.001 0.000 0.281 501 L C -0.407 176.743 176.870 0.467 0.000 1.234 501 L CA 0.261 55.296 54.840 0.325 0.000 0.839 501 L CB 0.142 42.259 42.059 0.097 0.000 1.104 501 L HN 0.292 nan 8.230 nan 0.000 0.500 502 L N 4.012 125.508 121.223 0.455 0.000 2.445 502 L HA 0.525 4.866 4.340 0.001 0.000 0.262 502 L C -1.551 175.650 176.870 0.551 0.000 0.974 502 L CA -0.294 54.831 54.840 0.474 0.000 0.822 502 L CB 1.925 44.037 42.059 0.088 0.000 1.339 502 L HN 0.626 nan 8.230 nan 0.000 0.409 503 F N 1.766 121.956 119.950 0.399 0.000 2.746 503 F HA 0.488 5.015 4.527 0.001 0.000 0.378 503 F C -0.129 175.865 175.800 0.324 0.000 1.165 503 F CA -0.519 57.675 58.000 0.323 0.000 1.089 503 F CB 1.405 40.598 39.000 0.321 0.000 1.439 503 F HN 0.513 nan 8.300 nan 0.000 0.516 504 D N -0.052 120.569 120.400 0.369 0.000 3.118 504 D HA 0.286 4.927 4.640 0.001 0.000 0.286 504 D C 0.587 176.906 176.300 0.031 0.000 1.255 504 D CA 0.084 54.107 54.000 0.038 0.000 0.748 504 D CB -0.085 40.597 40.800 -0.198 0.000 1.332 504 D HN 0.226 nan 8.370 nan 0.000 0.575 505 I N 0.417 121.078 120.570 0.152 0.000 2.358 505 I HA -0.275 3.896 4.170 0.001 0.000 0.257 505 I C 2.377 178.516 176.117 0.037 0.000 1.123 505 I CA 1.303 62.682 61.300 0.132 0.000 1.393 505 I CB -0.672 37.423 38.000 0.159 0.000 1.073 505 I HN 0.327 nan 8.210 nan 0.000 0.437 506 S N -0.230 115.435 115.700 -0.058 0.000 2.356 506 S HA -0.231 4.239 4.470 0.001 0.000 0.223 506 S C 2.253 176.806 174.600 -0.078 0.000 1.032 506 S CA 1.502 59.647 58.200 -0.091 0.000 1.005 506 S CB -0.072 63.007 63.200 -0.201 0.000 0.867 506 S HN 0.321 nan 8.310 nan 0.000 0.449 507 K N 1.486 121.824 120.400 -0.104 0.000 2.078 507 K HA 0.017 4.337 4.320 0.001 0.000 0.203 507 K C -0.029 176.551 176.600 -0.033 0.000 1.043 507 K CA 1.273 57.516 56.287 -0.073 0.000 0.960 507 K CB -0.422 32.024 32.500 -0.089 0.000 0.761 507 K HN 0.639 nan 8.250 nan 0.000 0.448 508 D N 0.372 120.769 120.400 -0.005 0.000 2.485 508 D HA 0.180 4.820 4.640 0.001 0.000 0.256 508 D C -2.369 173.974 176.300 0.072 0.000 1.141 508 D CA -1.807 52.207 54.000 0.023 0.000 0.942 508 D CB 1.422 42.234 40.800 0.020 0.000 1.003 508 D HN -0.097 nan 8.370 nan 0.000 0.507 509 P HA -0.123 nan 4.420 nan 0.000 0.215 509 P C 1.197 178.506 177.300 0.014 0.000 1.157 509 P CA 1.037 64.166 63.100 0.048 0.000 0.863 509 P CB 0.270 31.949 31.700 -0.035 0.000 0.787 510 R N -0.042 120.421 120.500 -0.062 0.000 2.332 510 R HA -0.125 4.215 4.340 0.001 0.000 0.239 510 R C 0.812 177.099 176.300 -0.021 0.000 1.160 510 R CA 0.602 56.654 56.100 -0.079 0.000 1.020 510 R CB -1.521 28.734 30.300 -0.076 0.000 0.859 510 R HN 0.294 nan 8.270 nan 0.000 0.478 511 E N -0.453 119.798 120.200 0.086 0.000 2.328 511 E HA -0.295 4.056 4.350 0.001 0.000 0.233 511 E C 0.083 176.800 176.600 0.194 0.000 1.219 511 E CA 0.367 56.899 56.400 0.221 0.000 0.717 511 E CB -0.678 28.919 29.700 -0.171 0.000 1.210 511 E HN 0.343 nan 8.360 nan 0.000 0.381 512 R N 1.290 121.844 120.500 0.091 0.000 2.586 512 R HA 0.080 4.421 4.340 0.001 0.000 0.336 512 R C -0.480 175.787 176.300 -0.054 0.000 1.060 512 R CA 0.199 56.292 56.100 -0.011 0.000 1.079 512 R CB 0.195 30.468 30.300 -0.046 0.000 1.317 512 R HN 0.252 nan 8.270 nan 0.000 0.568 513 N N -0.799 117.813 118.700 -0.146 0.000 2.905 513 N HA 0.154 4.895 4.740 0.001 0.000 0.255 513 N C -3.362 171.761 175.510 -0.644 0.000 1.199 513 N CA -1.483 51.398 53.050 -0.282 0.000 0.911 513 N CB 1.415 39.805 38.487 -0.162 0.000 1.550 513 N HN -0.218 nan 8.380 nan 0.000 0.599 514 P HA 0.185 nan 4.420 nan 0.000 0.269 514 P C -0.470 176.644 177.300 -0.312 0.000 1.215 514 P CA -0.352 62.315 63.100 -0.721 0.000 0.780 514 P CB 0.706 32.230 31.700 -0.293 0.000 0.898 515 L N 2.413 123.563 121.223 -0.122 0.000 2.305 515 L HA 0.373 4.714 4.340 0.001 0.000 0.284 515 L C 1.028 178.076 176.870 0.297 0.000 1.013 515 L CA 0.496 55.394 54.840 0.096 0.000 0.819 515 L CB 0.633 42.811 42.059 0.199 0.000 1.227 515 L HN 0.490 nan 8.230 nan 0.000 0.417 516 T N 2.049 116.705 114.554 0.170 0.000 3.265 516 T HA 0.162 4.512 4.350 0.001 0.000 0.263 516 T C -1.670 173.002 174.700 -0.046 0.000 0.862 516 T CA 0.373 62.505 62.100 0.054 0.000 0.900 516 T CB 0.083 68.873 68.868 -0.130 0.000 1.260 516 T HN 0.267 nan 8.240 nan 0.000 0.547 517 P HA 0.235 nan 4.420 nan 0.000 0.203 517 P C 1.455 178.755 177.300 -0.000 0.000 1.202 517 P CA 1.796 64.878 63.100 -0.030 0.000 0.917 517 P CB -0.307 31.382 31.700 -0.020 0.000 0.750 518 A N 0.118 122.955 122.820 0.029 0.000 1.902 518 A HA -0.162 4.159 4.320 0.001 0.000 0.217 518 A C 2.120 179.755 177.584 0.086 0.000 1.181 518 A CA 2.383 54.448 52.037 0.047 0.000 0.623 518 A CB -1.854 17.177 19.000 0.050 0.000 0.818 518 A HN 0.360 nan 8.150 nan 0.000 0.443 519 S N -0.676 115.110 115.700 0.143 0.000 2.754 519 S HA 0.090 4.561 4.470 0.001 0.000 0.223 519 S C 1.027 175.740 174.600 0.189 0.000 0.951 519 S CA 0.798 59.124 58.200 0.210 0.000 0.954 519 S CB 0.087 63.493 63.200 0.343 0.000 0.780 519 S HN 0.489 nan 8.310 nan 0.000 0.509 520 E N 2.853 123.112 120.200 0.098 0.000 2.427 520 E HA 0.068 4.418 4.350 0.001 0.000 0.196 520 E C -0.683 175.912 176.600 -0.007 0.000 1.028 520 E CA -0.021 56.388 56.400 0.014 0.000 0.864 520 E CB -0.668 28.962 29.700 -0.116 0.000 0.813 520 E HN 0.559 nan 8.360 nan 0.000 0.514 521 P HA -0.014 nan 4.420 nan 0.000 0.237 521 P C -0.294 177.018 177.300 0.019 0.000 1.178 521 P CA 0.713 63.820 63.100 0.010 0.000 0.766 521 P CB 0.340 32.055 31.700 0.025 0.000 0.876 522 R N -3.538 116.978 120.500 0.026 0.000 2.527 522 R HA 0.264 4.604 4.340 0.001 0.000 0.402 522 R C 1.208 177.495 176.300 -0.022 0.000 0.933 522 R CA -0.365 55.732 56.100 -0.005 0.000 1.171 522 R CB -1.563 28.712 30.300 -0.042 0.000 1.612 522 R HN -0.086 nan 8.270 nan 0.000 0.546 523 F N 1.366 121.244 119.950 -0.119 0.000 1.993 523 F HA -0.219 4.309 4.527 0.001 0.000 0.297 523 F C 1.580 177.429 175.800 0.081 0.000 1.177 523 F CA 1.906 59.862 58.000 -0.073 0.000 1.182 523 F CB -0.277 38.653 39.000 -0.117 0.000 0.958 523 F HN 0.057 nan 8.300 nan 0.000 0.496 524 Y N 0.069 120.579 120.300 0.349 0.000 2.465 524 Y HA -0.236 4.314 4.550 0.001 0.000 0.289 524 Y C 2.412 178.329 175.900 0.028 0.000 1.150 524 Y CA 0.700 58.910 58.100 0.183 0.000 1.293 524 Y CB -0.422 38.131 38.460 0.155 0.000 0.977 524 Y HN 0.362 nan 8.280 nan 0.000 0.556 525 E N 0.729 121.020 120.200 0.150 0.000 2.028 525 E HA -0.183 4.168 4.350 0.001 0.000 0.190 525 E C 2.211 178.786 176.600 -0.042 0.000 0.984 525 E CA 1.461 57.888 56.400 0.046 0.000 0.800 525 E CB -0.152 29.566 29.700 0.029 0.000 0.758 525 E HN 0.595 nan 8.360 nan 0.000 0.448 526 I N -0.729 119.763 120.570 -0.131 0.000 2.163 526 I HA -0.201 3.969 4.170 0.001 0.000 0.240 526 I C 2.031 177.996 176.117 -0.254 0.000 1.081 526 I CA 1.303 62.461 61.300 -0.235 0.000 1.353 526 I CB -0.586 37.170 38.000 -0.407 0.000 1.054 526 I HN -0.023 nan 8.210 nan 0.000 0.407 527 L N 1.186 122.286 121.223 -0.205 0.000 2.740 527 L HA -0.089 4.252 4.340 0.001 0.000 0.242 527 L C 2.415 179.224 176.870 -0.101 0.000 1.175 527 L CA 1.029 55.787 54.840 -0.137 0.000 0.859 527 L CB -0.832 41.152 42.059 -0.125 0.000 0.992 527 L HN 0.487 nan 8.230 nan 0.000 0.454 528 K N -0.168 120.166 120.400 -0.110 0.000 2.313 528 K HA -0.021 4.300 4.320 0.001 0.000 0.197 528 K C 1.898 178.424 176.600 -0.122 0.000 1.061 528 K CA 0.345 56.580 56.287 -0.087 0.000 0.980 528 K CB 0.506 32.980 32.500 -0.043 0.000 0.888 528 K HN 0.109 nan 8.250 nan 0.000 0.502 529 V N 1.082 120.874 119.914 -0.203 0.000 2.649 529 V HA -0.057 4.063 4.120 0.001 0.000 0.248 529 V C 1.878 177.787 176.094 -0.308 0.000 1.054 529 V CA 1.050 63.197 62.300 -0.255 0.000 1.073 529 V CB -0.088 31.505 31.823 -0.384 0.000 0.699 529 V HN 0.315 nan 8.190 nan 0.000 0.463 530 M N -0.634 118.761 119.600 -0.341 0.000 2.115 530 M HA -0.089 4.392 4.480 0.001 0.000 0.261 530 M C 2.259 178.539 176.300 -0.033 0.000 1.079 530 M CA 2.026 57.213 55.300 -0.189 0.000 1.143 530 M CB -0.628 31.902 32.600 -0.116 0.000 1.332 530 M HN 0.322 nan 8.290 nan 0.000 0.421 531 Q N 1.531 121.327 119.800 -0.007 0.000 2.248 531 Q HA -0.238 4.103 4.340 0.001 0.000 0.208 531 Q C 1.540 177.538 176.000 -0.003 0.000 0.984 531 Q CA 2.295 58.117 55.803 0.033 0.000 0.875 531 Q CB -0.211 28.482 28.738 -0.075 0.000 0.910 531 Q HN 0.633 nan 8.270 nan 0.000 0.433 532 E N -0.706 119.455 120.200 -0.065 0.000 2.112 532 E HA -0.005 4.345 4.350 0.001 0.000 0.190 532 E C 1.819 178.365 176.600 -0.091 0.000 0.979 532 E CA 1.251 57.604 56.400 -0.077 0.000 0.814 532 E CB -0.995 28.648 29.700 -0.094 0.000 0.762 532 E HN 0.264 nan 8.360 nan 0.000 0.460 533 A N 1.916 124.637 122.820 -0.165 0.000 1.869 533 A HA -0.194 4.126 4.320 0.001 0.000 0.218 533 A C 2.642 180.237 177.584 0.017 0.000 1.203 533 A CA 3.111 55.027 52.037 -0.202 0.000 0.638 533 A CB -1.542 17.241 19.000 -0.362 0.000 0.831 533 A HN 0.539 nan 8.150 nan 0.000 0.450 534 A N -0.314 122.573 122.820 0.111 0.000 1.917 534 A HA -0.273 4.048 4.320 0.001 0.000 0.219 534 A C 1.751 179.332 177.584 -0.005 0.000 1.182 534 A CA 2.312 54.371 52.037 0.037 0.000 0.633 534 A CB -0.844 18.298 19.000 0.237 0.000 0.819 534 A HN 0.532 nan 8.150 nan 0.000 0.448 535 D N -0.640 119.763 120.400 0.005 0.000 2.144 535 D HA -0.142 4.499 4.640 0.001 0.000 0.199 535 D C 2.136 178.409 176.300 -0.046 0.000 0.984 535 D CA 1.772 55.758 54.000 -0.024 0.000 0.834 535 D CB -0.286 40.497 40.800 -0.028 0.000 0.955 535 D HN 0.713 nan 8.370 nan 0.000 0.465 536 R N -0.212 120.261 120.500 -0.046 0.000 2.127 536 R HA -0.039 4.302 4.340 0.001 0.000 0.217 536 R C 2.055 178.330 176.300 -0.043 0.000 1.074 536 R CA 1.337 57.411 56.100 -0.043 0.000 0.991 536 R CB -0.982 29.292 30.300 -0.044 0.000 0.895 536 R HN 0.238 nan 8.270 nan 0.000 0.450 537 H N 1.286 120.244 119.070 -0.187 0.000 2.276 537 H HA -0.032 4.525 4.556 0.001 0.000 0.301 537 H C 1.490 176.672 175.328 -0.245 0.000 1.073 537 H CA 2.744 58.612 56.048 -0.300 0.000 1.311 537 H CB -0.616 28.678 29.762 -0.779 0.000 1.379 537 H HN 0.367 nan 8.280 nan 0.000 0.494 538 T N -1.352 112.955 114.554 -0.411 0.000 3.026 538 T HA -0.131 4.220 4.350 0.001 0.000 0.271 538 T C 1.444 176.005 174.700 -0.232 0.000 1.149 538 T CA 1.002 62.889 62.100 -0.355 0.000 1.088 538 T CB -0.207 68.574 68.868 -0.146 0.000 0.857 538 T HN 0.341 nan 8.240 nan 0.000 0.551 539 Q N 1.241 120.930 119.800 -0.184 0.000 2.365 539 Q HA 0.102 4.442 4.340 0.001 0.000 0.203 539 Q C 1.712 177.647 176.000 -0.109 0.000 0.929 539 Q CA 0.992 56.728 55.803 -0.111 0.000 0.948 539 Q CB 0.232 28.928 28.738 -0.069 0.000 1.043 539 Q HN 0.919 nan 8.270 nan 0.000 0.505 540 T N -3.865 110.585 114.554 -0.173 0.000 3.040 540 T HA 0.221 4.572 4.350 0.001 0.000 0.266 540 T C 0.373 174.986 174.700 -0.145 0.000 1.005 540 T CA -0.342 61.685 62.100 -0.122 0.000 0.906 540 T CB 0.234 69.057 68.868 -0.075 0.000 1.082 540 T HN -0.116 nan 8.240 nan 0.000 0.531 541 L N 5.001 126.101 121.223 -0.205 0.000 2.312 541 L HA 0.448 4.789 4.340 0.001 0.000 0.287 541 L C -1.704 175.111 176.870 -0.091 0.000 1.091 541 L CA -2.241 52.496 54.840 -0.172 0.000 0.846 541 L CB 0.306 42.235 42.059 -0.217 0.000 1.219 541 L HN 0.184 nan 8.230 nan 0.000 0.439 542 P HA 0.141 nan 4.420 nan 0.000 0.276 542 P C -0.609 176.683 177.300 -0.013 0.000 1.261 542 P CA -0.652 62.429 63.100 -0.031 0.000 0.800 542 P CB 0.881 32.567 31.700 -0.023 0.000 1.066 543 E N 0.101 120.300 120.200 -0.001 0.000 2.217 543 E HA 0.357 4.707 4.350 0.001 0.000 0.279 543 E C -1.163 175.449 176.600 0.019 0.000 1.068 543 E CA -0.268 56.141 56.400 0.014 0.000 0.882 543 E CB 0.013 29.718 29.700 0.010 0.000 1.039 543 E HN 0.188 nan 8.360 nan 0.000 0.418 544 V N 6.284 126.218 119.914 0.033 0.000 2.925 544 V HA 0.542 4.663 4.120 0.001 0.000 0.311 544 V C -2.278 173.852 176.094 0.060 0.000 1.104 544 V CA -2.001 60.321 62.300 0.037 0.000 0.954 544 V CB 2.232 34.068 31.823 0.021 0.000 1.022 544 V HN 0.811 nan 8.190 nan 0.000 0.427 545 P HA 0.148 nan 4.420 nan 0.000 0.268 545 P C -1.057 176.304 177.300 0.102 0.000 1.205 545 P CA -0.015 63.133 63.100 0.079 0.000 0.771 545 P CB 0.466 32.212 31.700 0.077 0.000 0.858 546 D N 2.052 122.529 120.400 0.128 0.000 2.383 546 D HA 0.001 4.642 4.640 0.001 0.000 0.245 546 D C 1.060 177.452 176.300 0.154 0.000 1.263 546 D CA 0.024 54.128 54.000 0.173 0.000 0.936 546 D CB 0.499 41.432 40.800 0.221 0.000 1.053 546 D HN 0.111 nan 8.370 nan 0.000 0.507 547 Q N 2.471 122.361 119.800 0.149 0.000 2.439 547 Q HA 0.004 4.344 4.340 0.001 0.000 0.211 547 Q C 0.369 176.419 176.000 0.084 0.000 0.978 547 Q CA 0.920 56.796 55.803 0.121 0.000 0.897 547 Q CB -0.119 28.686 28.738 0.112 0.000 0.956 547 Q HN 0.540 nan 8.270 nan 0.000 0.483 548 F N -0.643 119.340 119.950 0.054 0.000 2.668 548 F HA 0.246 4.774 4.527 0.001 0.000 0.301 548 F C 0.706 176.451 175.800 -0.092 0.000 1.106 548 F CA -0.443 57.552 58.000 -0.009 0.000 1.289 548 F CB 0.180 39.044 39.000 -0.227 0.000 1.006 548 F HN -0.131 nan 8.300 nan 0.000 0.535 549 S N -1.675 114.082 115.700 0.095 0.000 2.596 549 S HA -0.084 4.387 4.470 0.001 0.000 0.260 549 S C 1.104 175.716 174.600 0.020 0.000 1.336 549 S CA -0.575 57.629 58.200 0.007 0.000 0.993 549 S CB 0.316 63.579 63.200 0.106 0.000 0.923 549 S HN 0.434 nan 8.310 nan 0.000 0.567 550 W N 0.739 122.169 121.300 0.217 0.000 2.374 550 W HA -0.075 4.586 4.660 0.001 0.000 0.288 550 W C 2.705 179.360 176.519 0.226 0.000 1.218 550 W CA 0.876 58.369 57.345 0.247 0.000 1.245 550 W CB -0.373 29.198 29.460 0.186 0.000 1.126 550 W HN 0.802 nan 8.180 nan 0.000 0.545 551 N N 0.432 119.349 118.700 0.362 0.000 2.396 551 N HA -0.141 4.600 4.740 0.001 0.000 0.180 551 N C 1.003 176.630 175.510 0.195 0.000 1.028 551 N CA 1.012 54.214 53.050 0.253 0.000 0.893 551 N CB -0.311 38.301 38.487 0.210 0.000 0.967 551 N HN 0.139 nan 8.380 nan 0.000 0.440 552 N N -0.448 118.370 118.700 0.196 0.000 2.280 552 N HA 0.012 4.753 4.740 0.001 0.000 0.192 552 N C 0.411 176.027 175.510 0.176 0.000 1.109 552 N CA -0.011 53.122 53.050 0.138 0.000 0.855 552 N CB 0.063 38.618 38.487 0.113 0.000 0.974 552 N HN 0.293 nan 8.380 nan 0.000 0.482 553 F N 0.443 120.462 119.950 0.114 0.000 2.680 553 F HA 0.370 4.897 4.527 0.001 0.000 0.290 553 F C 0.313 176.276 175.800 0.271 0.000 1.114 553 F CA -0.182 57.940 58.000 0.202 0.000 1.333 553 F CB 0.349 39.464 39.000 0.191 0.000 1.091 553 F HN -0.250 nan 8.300 nan 0.000 0.606 554 L N 0.822 122.142 121.223 0.162 0.000 2.417 554 L HA 0.018 4.358 4.340 0.001 0.000 0.268 554 L C -0.476 176.252 176.870 -0.237 0.000 1.158 554 L CA -0.591 54.226 54.840 -0.039 0.000 0.819 554 L CB 0.213 42.358 42.059 0.144 0.000 1.112 554 L HN 0.186 nan 8.230 nan 0.000 0.458 555 W N 4.281 125.189 121.300 -0.654 0.000 2.417 555 W HA 0.038 4.699 4.660 0.001 0.000 0.332 555 W C -0.216 176.020 176.519 -0.472 0.000 1.413 555 W CA -0.324 56.663 57.345 -0.597 0.000 1.299 555 W CB 0.075 29.128 29.460 -0.678 0.000 1.304 555 W HN 0.285 nan 8.180 nan 0.000 0.565 556 K N 9.368 129.092 120.400 -1.127 0.000 2.316 556 K HA 0.134 4.455 4.320 0.001 0.000 0.267 556 K C -1.296 174.164 176.600 -1.900 0.000 1.025 556 K CA -1.578 53.778 56.287 -1.551 0.000 0.896 556 K CB 1.848 33.368 32.500 -1.632 0.000 1.124 556 K HN 0.263 nan 8.250 nan 0.000 0.451 557 P HA -0.197 nan 4.420 nan 0.000 0.216 557 P C 0.768 177.613 177.300 -0.758 0.000 1.150 557 P CA 1.458 63.679 63.100 -1.465 0.000 0.843 557 P CB -0.052 31.156 31.700 -0.819 0.000 0.787 558 W N -0.176 120.846 121.300 -0.462 0.000 2.825 558 W HA 0.144 4.804 4.660 0.001 0.000 0.243 558 W C 1.452 177.781 176.519 -0.317 0.000 1.293 558 W CA 0.137 57.285 57.345 -0.328 0.000 1.403 558 W CB -1.568 27.716 29.460 -0.292 0.000 1.134 558 W HN -0.180 nan 8.180 nan 0.000 0.666 559 L N 0.745 121.558 121.223 -0.685 0.000 2.585 559 L HA 0.148 4.489 4.340 0.001 0.000 0.226 559 L C 1.132 177.833 176.870 -0.281 0.000 1.113 559 L CA -0.158 54.420 54.840 -0.437 0.000 0.876 559 L CB -0.466 41.284 42.059 -0.515 0.000 1.072 559 L HN -0.097 nan 8.230 nan 0.000 0.468 560 Q N 1.902 121.537 119.800 -0.274 0.000 2.271 560 Q HA 0.161 4.502 4.340 0.001 0.000 0.273 560 Q C -0.637 175.322 176.000 -0.069 0.000 1.051 560 Q CA 0.550 56.309 55.803 -0.073 0.000 0.901 560 Q CB 0.524 29.297 28.738 0.057 0.000 1.174 560 Q HN 0.226 nan 8.270 nan 0.000 0.385 561 L N 3.776 124.968 121.223 -0.053 0.000 2.319 561 L HA 0.350 4.691 4.340 0.001 0.000 0.280 561 L C -0.443 176.285 176.870 -0.236 0.000 1.099 561 L CA -0.651 54.114 54.840 -0.125 0.000 0.828 561 L CB 1.044 43.047 42.059 -0.093 0.000 1.150 561 L HN 0.697 nan 8.230 nan 0.000 0.442 562 c N 4.376 122.868 118.600 -0.179 0.000 2.654 562 c HA 0.180 4.750 4.570 0.001 0.000 0.315 562 c C 1.493 175.498 174.090 -0.141 0.000 1.054 562 c CA -0.957 55.269 56.329 -0.172 0.000 1.419 562 c CB -0.055 42.395 42.510 -0.099 0.000 1.889 562 c HN 1.147 nan 8.230 nan 0.000 0.447 563 c N 6.089 124.579 118.600 -0.182 0.000 2.401 563 c HA -0.021 4.550 4.570 0.001 0.000 0.276 563 c C -0.149 173.901 174.090 -0.067 0.000 1.233 563 c CA 1.982 58.239 56.329 -0.119 0.000 1.753 563 c CB -1.515 40.913 42.510 -0.136 0.000 2.029 563 c HN 0.833 nan 8.230 nan 0.000 0.478 564 P HA 0.107 nan 4.420 nan 0.000 0.196 564 P C 1.447 178.731 177.300 -0.026 0.000 1.166 564 P CA 1.605 64.685 63.100 -0.034 0.000 0.854 564 P CB -0.311 31.374 31.700 -0.025 0.000 0.701 565 S N -1.168 114.519 115.700 -0.021 0.000 2.207 565 S HA 0.261 4.731 4.470 0.001 0.000 0.226 565 S C 0.220 174.807 174.600 -0.022 0.000 1.286 565 S CA 0.050 58.240 58.200 -0.015 0.000 1.004 565 S CB -0.921 62.276 63.200 -0.006 0.000 0.907 565 S HN 0.054 nan 8.310 nan 0.000 0.443 566 T N 0.145 114.688 114.554 -0.018 0.000 2.879 566 T HA 0.659 5.009 4.350 0.001 0.000 0.290 566 T C 0.433 175.120 174.700 -0.022 0.000 0.993 566 T CA 0.212 62.299 62.100 -0.022 0.000 0.975 566 T CB 0.853 69.711 68.868 -0.016 0.000 0.981 566 T HN 1.304 nan 8.240 nan 0.000 0.439 567 G N 3.191 111.973 108.800 -0.029 0.000 2.938 567 G HA2 -0.080 3.880 3.960 0.001 0.000 0.234 567 G HA3 -0.080 3.880 3.960 0.001 0.000 0.234 567 G C -1.378 173.493 174.900 -0.048 0.000 1.707 567 G CA -0.580 44.503 45.100 -0.029 0.000 1.299 567 G HN 0.746 nan 8.290 nan 0.000 0.515 568 L N 2.078 123.251 121.223 -0.084 0.000 2.492 568 L HA 0.664 5.005 4.340 0.001 0.000 0.259 568 L C 0.097 176.926 176.870 -0.068 0.000 1.229 568 L CA 0.502 55.230 54.840 -0.187 0.000 0.903 568 L CB 1.621 43.383 42.059 -0.494 0.000 1.114 568 L HN 1.347 nan 8.230 nan 0.000 0.494 569 S N -0.703 115.009 115.700 0.020 0.000 2.754 569 S HA 0.159 4.630 4.470 0.001 0.000 0.145 569 S C -0.553 174.069 174.600 0.036 0.000 0.915 569 S CA -0.813 57.447 58.200 0.100 0.000 0.981 569 S CB -0.703 62.549 63.200 0.087 0.000 1.697 569 S HN 0.282 nan 8.310 nan 0.000 0.543 570 c N 1.930 120.537 118.600 0.012 0.000 2.203 570 c HA 0.671 5.242 4.570 0.001 0.000 0.325 570 c C 0.387 174.450 174.090 -0.045 0.000 1.156 570 c CA -0.537 55.766 56.329 -0.044 0.000 1.597 570 c CB -1.009 41.437 42.510 -0.105 0.000 2.148 570 c HN 0.773 nan 8.230 nan 0.000 0.472 571 Q N 1.225 121.005 119.800 -0.033 0.000 2.322 571 Q HA 0.658 4.999 4.340 0.001 0.000 0.265 571 Q C -0.887 175.091 176.000 -0.037 0.000 0.985 571 Q CA -0.140 55.645 55.803 -0.029 0.000 0.849 571 Q CB 2.079 30.811 28.738 -0.009 0.000 1.274 571 Q HN 0.872 nan 8.270 nan 0.000 0.449 572 c N 2.052 120.629 118.600 -0.038 0.000 2.985 572 c HA 0.463 5.033 4.570 0.001 0.000 0.332 572 c C -1.628 172.449 174.090 -0.022 0.000 1.164 572 c CA -0.321 55.987 56.329 -0.036 0.000 1.347 572 c CB 1.677 44.151 42.510 -0.061 0.000 1.764 572 c HN 0.928 nan 8.230 nan 0.000 0.489 573 D N 2.669 123.061 120.400 -0.012 0.000 3.361 573 D HA 0.163 4.804 4.640 0.001 0.000 0.246 573 D C 0.340 176.643 176.300 0.004 0.000 1.395 573 D CA -0.195 53.803 54.000 -0.004 0.000 0.839 573 D CB 0.436 41.234 40.800 -0.002 0.000 1.469 573 D HN 0.690 nan 8.370 nan 0.000 0.636 574 R N 0.400 120.903 120.500 0.006 0.000 2.363 574 R HA 0.151 4.491 4.340 0.001 0.000 0.236 574 R C 0.682 176.997 176.300 0.025 0.000 0.966 574 R CA 0.062 56.170 56.100 0.014 0.000 1.100 574 R CB 0.775 31.083 30.300 0.013 0.000 1.125 574 R HN 0.201 nan 8.270 nan 0.000 0.514 575 E N 0.000 120.216 120.200 0.026 0.000 2.725 575 E HA 0.000 4.351 4.350 0.001 0.000 0.291 575 E CA 0.000 56.424 56.400 0.041 0.000 0.976 575 E CB 0.000 29.731 29.700 0.051 0.000 0.812 575 E HN 0.000 nan 8.360 nan 0.000 0.440