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 3e9y_1_A DATA FIRST_RESID 87 DATA SEQUENCE FISRFAPDQP RKGADILVEA LERQGVETVF AYPGGASMEI HQALTRSSSI DATA SEQUENCE RNVLPRHEQG GVFAAEGYAR SSGKPGICIA TSGPGATNLV SGLADALLDS DATA SEQUENCE VPLVAITGQV PRRMIGTDAF QETPIVEVTR SITKHNYLVM DVEDIPRIIE DATA SEQUENCE EAFFLATSGR PGPVLVDVPK DIQQQLAIPN WEQAMRLPGY MSRMPKPPED DATA SEQUENCE SHLEQIVRLI SESKKPVLYV GGGCLNSSDE LGRFVELTGI PVATTLMGLG DATA SEQUENCE SYPXDDELSL HMLGMHGTVY ANYAVEHSDL LLAFGVRFDD RVTGKLEAFA DATA SEQUENCE SRAKIVHIDI DSAEIGKNKT PHVSVCGDVK LALQGMNKVL ENRAEELKLD DATA SEQUENCE FGVWRNELNV QKQKFPLSFK TFGEAIPPQY AIKVLDELTD GKAIISTGVG DATA SEQUENCE QHQMWAAQFY NYKKPRQWLS SGGLGAMGFG LPAAIGASVA NPDAIVVDID DATA SEQUENCE GDGSFIMNVQ ELATIRVENL PVKVLLLNNQ HLGMVMQWED RFYKANRAHT DATA SEQUENCE FLGDPAQEDE IFPNMLLFAA ACGIPAARVT KKADLREAIQ TMLDTPGPYL DATA SEQUENCE LDVICPHQEH VLPMIPSGGT FNDVITEGDG RI 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 87 F HA 0.000 nan 4.527 nan 0.000 0.279 87 F C 0.000 175.744 175.800 -0.094 0.000 0.967 87 F CA 0.000 57.937 58.000 -0.106 0.000 1.383 87 F CB 0.000 38.900 39.000 -0.166 0.000 1.145 88 I N 4.941 125.003 120.570 -0.846 0.000 2.325 88 I HA 0.359 4.529 4.170 0.001 0.000 0.291 88 I C 0.495 175.988 176.117 -1.039 0.000 1.019 88 I CA -0.379 60.514 61.300 -0.679 0.000 1.302 88 I CB 1.427 39.188 38.000 -0.398 0.000 1.401 88 I HN 0.609 nan 8.210 nan 0.000 0.485 89 S N 4.870 120.255 115.700 -0.524 0.000 2.669 89 S HA 0.376 4.846 4.470 0.001 0.000 0.270 89 S C 0.979 175.479 174.600 -0.166 0.000 1.225 89 S CA -0.546 57.526 58.200 -0.213 0.000 0.991 89 S CB 0.826 64.106 63.200 0.134 0.000 0.987 89 S HN 0.630 nan 8.310 nan 0.000 0.552 90 R N 0.424 120.857 120.500 -0.111 0.000 2.393 90 R HA 0.252 4.592 4.340 0.001 0.000 0.244 90 R C -0.926 175.013 176.300 -0.602 0.000 0.920 90 R CA 0.186 56.067 56.100 -0.364 0.000 1.076 90 R CB 0.114 30.127 30.300 -0.479 0.000 1.119 90 R HN 0.433 nan 8.270 nan 0.000 0.524 91 F N -0.146 119.823 119.950 0.032 0.000 2.576 91 F HA 0.491 5.019 4.527 0.001 0.000 0.313 91 F C 0.193 176.024 175.800 0.053 0.000 1.078 91 F CA -1.464 56.566 58.000 0.051 0.000 0.921 91 F CB 1.157 40.208 39.000 0.085 0.000 1.232 91 F HN -0.161 nan 8.300 nan 0.000 0.459 92 A N 2.692 125.648 122.820 0.226 0.000 2.462 92 A HA 0.360 4.680 4.320 0.001 0.000 0.243 92 A C -1.830 175.851 177.584 0.161 0.000 1.076 92 A CA -1.018 51.106 52.037 0.145 0.000 0.773 92 A CB -0.091 18.969 19.000 0.101 0.000 1.010 92 A HN 0.620 nan 8.150 nan 0.000 0.493 93 P HA -0.134 nan 4.420 nan 0.000 0.221 93 P C 0.421 177.774 177.300 0.089 0.000 1.145 93 P CA 1.647 64.824 63.100 0.129 0.000 0.795 93 P CB 0.124 31.887 31.700 0.106 0.000 0.775 94 D N -2.158 118.284 120.400 0.071 0.000 2.363 94 D HA -0.017 4.623 4.640 0.001 0.000 0.214 94 D C 0.486 176.809 176.300 0.039 0.000 1.093 94 D CA 0.044 54.070 54.000 0.043 0.000 0.837 94 D CB -0.431 40.390 40.800 0.035 0.000 0.948 94 D HN 0.188 nan 8.370 nan 0.000 0.507 95 Q N 1.281 121.119 119.800 0.062 0.000 2.325 95 Q HA 0.368 4.708 4.340 0.001 0.000 0.262 95 Q C -2.746 173.266 176.000 0.020 0.000 0.968 95 Q CA -2.055 53.786 55.803 0.063 0.000 0.877 95 Q CB 2.003 30.813 28.738 0.120 0.000 1.253 95 Q HN -0.138 nan 8.270 nan 0.000 0.448 96 P HA 0.128 nan 4.420 nan 0.000 0.272 96 P C -1.098 176.135 177.300 -0.112 0.000 1.223 96 P CA -0.056 63.005 63.100 -0.065 0.000 0.784 96 P CB 0.595 32.269 31.700 -0.043 0.000 0.923 97 R N 0.109 120.487 120.500 -0.202 0.000 2.752 97 R HA 0.450 4.791 4.340 0.001 0.000 0.271 97 R C -0.970 175.208 176.300 -0.203 0.000 1.026 97 R CA -0.974 54.960 56.100 -0.277 0.000 0.901 97 R CB 0.596 30.442 30.300 -0.756 0.000 1.243 97 R HN 0.243 nan 8.270 nan 0.000 0.463 98 K N 0.016 120.326 120.400 -0.150 0.000 2.380 98 K HA 0.143 4.463 4.320 0.001 0.000 0.267 98 K C 1.469 178.011 176.600 -0.097 0.000 0.990 98 K CA 0.669 56.904 56.287 -0.088 0.000 0.946 98 K CB 0.460 32.939 32.500 -0.035 0.000 0.937 98 K HN 0.816 nan 8.250 nan 0.000 0.491 99 G N 1.415 110.174 108.800 -0.068 0.000 2.442 99 G HA2 -0.304 3.657 3.960 0.001 0.000 0.219 99 G HA3 -0.304 3.657 3.960 0.001 0.000 0.219 99 G C 1.474 176.353 174.900 -0.034 0.000 1.141 99 G CA 1.062 46.125 45.100 -0.061 0.000 0.763 99 G HN 0.680 nan 8.290 nan 0.000 0.554 100 A N 0.977 123.787 122.820 -0.016 0.000 1.908 100 A HA -0.097 4.223 4.320 0.001 0.000 0.218 100 A C 2.092 179.689 177.584 0.022 0.000 1.181 100 A CA 2.018 54.060 52.037 0.008 0.000 0.627 100 A CB -0.406 18.606 19.000 0.021 0.000 0.818 100 A HN 0.312 nan 8.150 nan 0.000 0.445 101 D N -0.332 120.073 120.400 0.008 0.000 2.183 101 D HA -0.056 4.584 4.640 0.001 0.000 0.203 101 D C 1.891 178.217 176.300 0.043 0.000 0.969 101 D CA 0.990 55.011 54.000 0.036 0.000 0.842 101 D CB -0.137 40.639 40.800 -0.041 0.000 0.957 101 D HN 0.540 nan 8.370 nan 0.000 0.484 102 I N 0.808 121.374 120.570 -0.006 0.000 2.202 102 I HA -0.218 3.953 4.170 0.001 0.000 0.242 102 I C 2.589 178.800 176.117 0.155 0.000 1.091 102 I CA 0.499 61.840 61.300 0.068 0.000 1.368 102 I CB -0.147 37.809 38.000 -0.074 0.000 1.058 102 I HN -0.032 nan 8.210 nan 0.000 0.410 103 L N 0.406 121.673 121.223 0.074 0.000 2.042 103 L HA -0.201 4.139 4.340 0.001 0.000 0.210 103 L C 2.483 179.402 176.870 0.080 0.000 1.076 103 L CA 1.455 56.339 54.840 0.073 0.000 0.749 103 L CB -0.127 41.953 42.059 0.035 0.000 0.893 103 L HN -0.028 nan 8.230 nan 0.000 0.432 104 V N -0.078 119.882 119.914 0.075 0.000 2.343 104 V HA -0.304 3.816 4.120 0.001 0.000 0.247 104 V C 2.481 178.617 176.094 0.069 0.000 1.051 104 V CA 2.144 64.481 62.300 0.062 0.000 1.036 104 V CB -0.622 31.240 31.823 0.064 0.000 0.654 104 V HN 0.582 nan 8.190 nan 0.000 0.451 105 E N 0.306 120.586 120.200 0.134 0.000 2.110 105 E HA -0.226 4.124 4.350 0.001 0.000 0.193 105 E C 2.226 178.747 176.600 -0.133 0.000 0.988 105 E CA 1.301 57.757 56.400 0.093 0.000 0.804 105 E CB -0.258 29.587 29.700 0.242 0.000 0.745 105 E HN 0.562 nan 8.360 nan 0.000 0.458 106 A N 0.887 123.738 122.820 0.052 0.000 1.940 106 A HA -0.183 4.137 4.320 0.001 0.000 0.219 106 A C 2.154 179.625 177.584 -0.189 0.000 1.176 106 A CA 1.310 53.348 52.037 0.002 0.000 0.631 106 A CB -0.613 18.510 19.000 0.204 0.000 0.814 106 A HN 0.318 nan 8.150 nan 0.000 0.446 107 L N -1.029 120.118 121.223 -0.126 0.000 2.072 107 L HA -0.168 4.172 4.340 0.001 0.000 0.205 107 L C 2.563 179.298 176.870 -0.225 0.000 1.079 107 L CA 1.537 56.266 54.840 -0.184 0.000 0.752 107 L CB -0.672 41.366 42.059 -0.036 0.000 0.906 107 L HN 0.438 nan 8.230 nan 0.000 0.436 108 E N 0.219 120.328 120.200 -0.151 0.000 2.118 108 E HA -0.223 4.127 4.350 0.001 0.000 0.195 108 E C 2.237 178.679 176.600 -0.263 0.000 0.992 108 E CA 1.036 57.377 56.400 -0.099 0.000 0.804 108 E CB -0.081 29.670 29.700 0.084 0.000 0.741 108 E HN 0.396 nan 8.360 nan 0.000 0.458 109 R N 0.298 120.459 120.500 -0.565 0.000 2.280 109 R HA -0.031 4.309 4.340 0.001 0.000 0.207 109 R C 1.814 177.826 176.300 -0.480 0.000 1.043 109 R CA 0.550 56.177 56.100 -0.789 0.000 1.006 109 R CB 0.175 29.837 30.300 -1.064 0.000 0.885 109 R HN 0.125 nan 8.270 nan 0.000 0.467 110 Q N -0.888 118.647 119.800 -0.442 0.000 2.392 110 Q HA 0.112 4.452 4.340 0.001 0.000 0.203 110 Q C 0.999 176.835 176.000 -0.274 0.000 0.917 110 Q CA 0.812 56.342 55.803 -0.456 0.000 0.939 110 Q CB 1.372 29.535 28.738 -0.958 0.000 1.063 110 Q HN 0.515 nan 8.270 nan 0.000 0.516 111 G N 0.540 109.225 108.800 -0.192 0.000 2.141 111 G HA2 -0.231 3.729 3.960 0.001 0.000 0.231 111 G HA3 -0.231 3.729 3.960 0.001 0.000 0.231 111 G C 0.169 175.057 174.900 -0.020 0.000 0.984 111 G CA 0.134 45.192 45.100 -0.070 0.000 0.660 111 G HN 0.186 nan 8.290 nan 0.000 0.525 112 V N 0.484 120.363 119.914 -0.059 0.000 2.599 112 V HA 0.263 4.384 4.120 0.001 0.000 0.300 112 V C 1.259 177.356 176.094 0.004 0.000 1.034 112 V CA 1.425 63.726 62.300 0.003 0.000 1.115 112 V CB 1.228 33.047 31.823 -0.007 0.000 0.934 112 V HN 0.536 nan 8.190 nan 0.000 0.485 113 E N 1.618 121.835 120.200 0.029 0.000 2.485 113 E HA 0.152 4.502 4.350 0.001 0.000 0.213 113 E C -0.094 176.481 176.600 -0.042 0.000 0.923 113 E CA 0.196 56.609 56.400 0.021 0.000 1.054 113 E CB 1.037 30.783 29.700 0.077 0.000 1.077 113 E HN 0.772 nan 8.360 nan 0.000 0.509 114 T N 1.205 115.679 114.554 -0.134 0.000 2.971 114 T HA 0.448 4.798 4.350 0.001 0.000 0.304 114 T C -0.555 173.849 174.700 -0.493 0.000 1.038 114 T CA -0.816 61.078 62.100 -0.343 0.000 1.007 114 T CB 2.147 70.767 68.868 -0.413 0.000 1.055 114 T HN -0.000 nan 8.240 nan 0.000 0.451 115 V N -0.482 119.134 119.914 -0.497 0.000 2.960 115 V HA 0.883 5.003 4.120 0.001 0.000 0.315 115 V C -1.471 174.239 176.094 -0.641 0.000 1.087 115 V CA -1.297 60.747 62.300 -0.426 0.000 0.982 115 V CB 1.656 33.359 31.823 -0.200 0.000 1.039 115 V HN 0.773 nan 8.190 nan 0.000 0.437 116 F N 2.119 122.020 119.950 -0.081 0.000 2.366 116 F HA 0.855 5.382 4.527 0.001 0.000 0.366 116 F C 0.475 176.284 175.800 0.014 0.000 1.096 116 F CA -0.244 57.741 58.000 -0.026 0.000 1.060 116 F CB 1.484 40.467 39.000 -0.029 0.000 1.282 116 F HN 0.893 nan 8.300 nan 0.000 0.450 117 A N 3.181 126.097 122.820 0.161 0.000 2.356 117 A HA 0.656 4.977 4.320 0.001 0.000 0.310 117 A C -2.121 175.675 177.584 0.353 0.000 1.075 117 A CA -0.653 51.502 52.037 0.196 0.000 0.746 117 A CB 0.825 19.806 19.000 -0.032 0.000 1.221 117 A HN 0.640 nan 8.150 nan 0.000 0.443 118 Y N 4.676 125.098 120.300 0.204 0.000 2.328 118 Y HA 0.565 5.115 4.550 0.001 0.000 0.337 118 Y C -2.303 173.577 175.900 -0.033 0.000 0.966 118 Y CA -1.930 56.215 58.100 0.076 0.000 1.136 118 Y CB 2.110 40.574 38.460 0.006 0.000 1.170 118 Y HN 0.530 nan 8.280 nan 0.000 0.470 119 P HA 0.526 nan 4.420 nan 0.000 0.279 119 P C -0.665 176.502 177.300 -0.222 0.000 1.252 119 P CA -0.115 62.568 63.100 -0.695 0.000 0.811 119 P CB 2.063 33.185 31.700 -0.963 0.000 1.035 120 G N -0.649 108.070 108.800 -0.135 0.000 2.550 120 G HA2 0.438 4.398 3.960 0.001 0.000 0.293 120 G HA3 0.438 4.398 3.960 0.001 0.000 0.293 120 G C 0.726 175.621 174.900 -0.009 0.000 1.402 120 G CA -0.096 44.984 45.100 -0.033 0.000 0.784 120 G HN 0.460 nan 8.290 nan 0.000 0.482 121 G N 0.111 108.928 108.800 0.028 0.000 2.529 121 G HA2 0.059 4.020 3.960 0.001 0.000 0.219 121 G HA3 0.059 4.020 3.960 0.001 0.000 0.219 121 G C 1.802 176.733 174.900 0.052 0.000 1.177 121 G CA 2.129 47.267 45.100 0.063 0.000 0.773 121 G HN 1.567 nan 8.290 nan 0.000 0.573 122 A N 0.053 122.895 122.820 0.038 0.000 2.238 122 A HA 0.380 4.700 4.320 0.001 0.000 0.208 122 A C 2.168 179.780 177.584 0.046 0.000 1.177 122 A CA 1.695 53.753 52.037 0.036 0.000 0.804 122 A CB -0.067 18.942 19.000 0.014 0.000 0.823 122 A HN 0.834 nan 8.150 nan 0.000 0.482 123 S N -2.197 113.542 115.700 0.064 0.000 2.733 123 S HA 0.203 4.673 4.470 0.001 0.000 0.247 123 S C 1.502 176.202 174.600 0.167 0.000 1.043 123 S CA 0.146 58.416 58.200 0.117 0.000 1.066 123 S CB -0.510 62.788 63.200 0.164 0.000 1.045 123 S HN 0.337 nan 8.310 nan 0.000 0.586 124 M N 1.727 121.378 119.600 0.086 0.000 2.089 124 M HA -0.142 4.338 4.480 0.001 0.000 0.257 124 M C 2.159 178.522 176.300 0.105 0.000 1.071 124 M CA 1.826 57.168 55.300 0.069 0.000 1.096 124 M CB -0.497 32.120 32.600 0.027 0.000 1.330 124 M HN 0.373 nan 8.290 nan 0.000 0.403 125 E N 0.431 120.677 120.200 0.077 0.000 2.085 125 E HA -0.185 4.165 4.350 0.001 0.000 0.194 125 E C 1.906 178.546 176.600 0.067 0.000 0.994 125 E CA 1.421 57.858 56.400 0.062 0.000 0.801 125 E CB -0.433 29.292 29.700 0.042 0.000 0.743 125 E HN 0.594 nan 8.360 nan 0.000 0.453 126 I N 0.688 121.300 120.570 0.071 0.000 2.226 126 I HA -0.271 3.899 4.170 0.001 0.000 0.245 126 I C 2.474 178.586 176.117 -0.007 0.000 1.100 126 I CA 1.122 62.438 61.300 0.026 0.000 1.374 126 I CB -0.360 37.643 38.000 0.004 0.000 1.057 126 I HN 0.163 nan 8.210 nan 0.000 0.413 127 H N 0.323 119.396 119.070 0.006 0.000 2.423 127 H HA -0.114 4.442 4.556 0.001 0.000 0.297 127 H C 2.194 177.522 175.328 -0.000 0.000 1.075 127 H CA 1.042 57.087 56.048 -0.005 0.000 1.342 127 H CB 0.131 29.881 29.762 -0.020 0.000 1.395 127 H HN 0.422 nan 8.280 nan 0.000 0.530 128 Q N 0.343 120.214 119.800 0.119 0.000 2.046 128 Q HA -0.034 4.306 4.340 0.001 0.000 0.200 128 Q C 2.571 178.607 176.000 0.060 0.000 0.975 128 Q CA 1.011 56.858 55.803 0.074 0.000 0.836 128 Q CB -0.320 28.455 28.738 0.062 0.000 0.896 128 Q HN 0.404 nan 8.270 nan 0.000 0.428 129 A N 0.860 123.715 122.820 0.058 0.000 1.933 129 A HA -0.157 4.163 4.320 0.001 0.000 0.218 129 A C 2.081 179.692 177.584 0.045 0.000 1.175 129 A CA 0.999 53.076 52.037 0.066 0.000 0.628 129 A CB -0.493 18.546 19.000 0.065 0.000 0.814 129 A HN 0.249 nan 8.150 nan 0.000 0.444 130 L N 0.633 121.860 121.223 0.006 0.000 2.042 130 L HA -0.165 4.175 4.340 0.001 0.000 0.210 130 L C 2.989 179.855 176.870 -0.005 0.000 1.076 130 L CA 2.666 57.491 54.840 -0.025 0.000 0.749 130 L CB -1.524 40.477 42.059 -0.097 0.000 0.893 130 L HN 0.682 nan 8.230 nan 0.000 0.432 131 T N -1.934 112.627 114.554 0.012 0.000 2.833 131 T HA -0.216 4.134 4.350 0.001 0.000 0.269 131 T C 1.656 176.361 174.700 0.007 0.000 1.054 131 T CA 1.077 63.183 62.100 0.011 0.000 1.135 131 T CB -0.483 68.396 68.868 0.019 0.000 0.869 131 T HN 0.536 nan 8.240 nan 0.000 0.466 132 R N 1.270 121.781 120.500 0.019 0.000 2.320 132 R HA 0.338 4.679 4.340 0.001 0.000 0.211 132 R C 0.809 177.111 176.300 0.004 0.000 0.931 132 R CA -0.080 56.027 56.100 0.011 0.000 1.071 132 R CB -0.040 30.275 30.300 0.025 0.000 1.025 132 R HN 0.292 nan 8.270 nan 0.000 0.495 133 S N 0.612 116.318 115.700 0.010 0.000 2.554 133 S HA 0.159 4.629 4.470 0.001 0.000 0.278 133 S C 0.899 175.491 174.600 -0.014 0.000 1.242 133 S CA -0.427 57.776 58.200 0.005 0.000 1.051 133 S CB 1.623 64.831 63.200 0.013 0.000 0.986 133 S HN 0.414 nan 8.310 nan 0.000 0.502 134 S N 2.488 118.175 115.700 -0.022 0.000 2.511 134 S HA 0.041 4.512 4.470 0.001 0.000 0.214 134 S C 1.502 176.089 174.600 -0.021 0.000 0.997 134 S CA 0.477 58.661 58.200 -0.027 0.000 0.908 134 S CB -0.199 62.977 63.200 -0.040 0.000 0.803 134 S HN 0.812 nan 8.310 nan 0.000 0.504 135 S N 0.907 116.598 115.700 -0.014 0.000 2.497 135 S HA 0.401 4.871 4.470 0.001 0.000 0.218 135 S C 0.422 175.016 174.600 -0.010 0.000 1.023 135 S CA -0.492 57.704 58.200 -0.007 0.000 0.913 135 S CB -0.537 62.667 63.200 0.007 0.000 0.800 135 S HN 0.468 nan 8.310 nan 0.000 0.505 136 I N 3.622 124.181 120.570 -0.019 0.000 2.315 136 I HA 0.384 4.554 4.170 0.001 0.000 0.291 136 I C 0.155 176.236 176.117 -0.060 0.000 1.006 136 I CA -0.757 60.517 61.300 -0.043 0.000 1.265 136 I CB 1.170 39.141 38.000 -0.049 0.000 1.387 136 I HN 0.287 nan 8.210 nan 0.000 0.475 137 R N 6.151 126.604 120.500 -0.079 0.000 2.486 137 R HA 0.372 4.712 4.340 0.001 0.000 0.286 137 R C -0.651 175.556 176.300 -0.155 0.000 0.999 137 R CA -0.629 55.417 56.100 -0.090 0.000 0.993 137 R CB 1.070 31.331 30.300 -0.064 0.000 1.084 137 R HN 0.645 nan 8.270 nan 0.000 0.487 138 N N 2.720 121.343 118.700 -0.127 0.000 2.408 138 N HA 0.201 4.941 4.740 0.001 0.000 0.280 138 N C -1.313 174.126 175.510 -0.117 0.000 1.002 138 N CA -0.612 52.348 53.050 -0.151 0.000 0.907 138 N CB 1.627 40.062 38.487 -0.087 0.000 1.161 138 N HN 0.376 nan 8.380 nan 0.000 0.488 139 V N 4.733 124.540 119.914 -0.179 0.000 2.333 139 V HA 0.194 4.315 4.120 0.001 0.000 0.274 139 V C 0.244 176.402 176.094 0.106 0.000 1.028 139 V CA -0.763 61.525 62.300 -0.021 0.000 0.851 139 V CB 0.815 32.653 31.823 0.026 0.000 1.000 139 V HN 0.551 nan 8.190 nan 0.000 0.456 140 L N 10.314 131.596 121.223 0.098 0.000 2.315 140 L HA 0.540 4.880 4.340 0.001 0.000 0.283 140 L C -1.936 175.042 176.870 0.180 0.000 1.089 140 L CA -0.794 54.120 54.840 0.124 0.000 0.833 140 L CB 0.715 42.795 42.059 0.035 0.000 1.170 140 L HN 0.388 nan 8.230 nan 0.000 0.442 141 P HA 0.321 nan 4.420 nan 0.000 0.293 141 P C -0.434 177.041 177.300 0.291 0.000 1.304 141 P CA -0.386 62.848 63.100 0.224 0.000 0.767 141 P CB 0.967 32.776 31.700 0.182 0.000 1.247 142 R N -2.436 118.173 120.500 0.183 0.000 2.335 142 R HA 0.245 4.585 4.340 0.001 0.000 0.210 142 R C 0.221 176.538 176.300 0.028 0.000 0.892 142 R CA 0.317 56.529 56.100 0.188 0.000 1.048 142 R CB -0.643 29.721 30.300 0.107 0.000 1.067 142 R HN 0.641 nan 8.270 nan 0.000 0.524 143 H N -0.778 118.187 119.070 -0.175 0.000 3.038 143 H HA 0.146 4.702 4.556 0.001 0.000 0.362 143 H C 0.192 175.350 175.328 -0.284 0.000 1.167 143 H CA -0.464 55.391 56.048 -0.322 0.000 1.197 143 H CB 1.492 31.125 29.762 -0.216 0.000 1.840 143 H HN 0.023 nan 8.280 nan 0.000 0.540 144 E N 3.011 123.048 120.200 -0.272 0.000 2.347 144 E HA -0.212 4.139 4.350 0.001 0.000 0.196 144 E C 1.417 177.976 176.600 -0.067 0.000 1.008 144 E CA 0.590 56.907 56.400 -0.138 0.000 0.852 144 E CB 0.211 29.787 29.700 -0.207 0.000 0.783 144 E HN 0.710 nan 8.360 nan 0.000 0.505 145 Q N 1.340 121.185 119.800 0.075 0.000 2.167 145 Q HA -0.097 4.243 4.340 0.001 0.000 0.202 145 Q C 2.168 177.945 176.000 -0.371 0.000 0.970 145 Q CA 1.487 57.122 55.803 -0.279 0.000 0.855 145 Q CB -0.265 28.269 28.738 -0.341 0.000 0.911 145 Q HN 0.338 nan 8.270 nan 0.000 0.438 146 G N 0.119 108.829 108.800 -0.151 0.000 2.446 146 G HA2 -0.263 3.697 3.960 0.001 0.000 0.217 146 G HA3 -0.263 3.697 3.960 0.001 0.000 0.217 146 G C 1.305 176.128 174.900 -0.128 0.000 1.168 146 G CA 0.731 45.772 45.100 -0.099 0.000 0.771 146 G HN 0.532 nan 8.290 nan 0.000 0.551 147 G N 0.688 109.439 108.800 -0.081 0.000 2.529 147 G HA2 -0.250 3.710 3.960 0.001 0.000 0.219 147 G HA3 -0.250 3.710 3.960 0.001 0.000 0.219 147 G C 1.859 176.660 174.900 -0.165 0.000 1.177 147 G CA 2.251 47.320 45.100 -0.052 0.000 0.773 147 G HN 0.476 nan 8.290 nan 0.000 0.573 148 V N -0.142 119.651 119.914 -0.202 0.000 2.270 148 V HA -0.074 4.046 4.120 0.001 0.000 0.245 148 V C 2.526 178.532 176.094 -0.147 0.000 1.043 148 V CA 1.766 63.946 62.300 -0.200 0.000 1.014 148 V CB -1.146 30.511 31.823 -0.276 0.000 0.645 148 V HN 0.384 nan 8.190 nan 0.000 0.447 149 F N 1.055 120.887 119.950 -0.197 0.000 2.216 149 F HA -0.115 4.413 4.527 0.000 0.000 0.300 149 F C 2.659 178.180 175.800 -0.465 0.000 1.085 149 F CA 0.793 58.604 58.000 -0.315 0.000 1.326 149 F CB -0.385 38.392 39.000 -0.372 0.000 1.027 149 F HN 0.168 nan 8.300 nan 0.000 0.497 150 A N 0.327 122.946 122.820 -0.336 0.000 1.902 150 A HA -0.124 4.196 4.320 0.001 0.000 0.217 150 A C 2.352 179.426 177.584 -0.850 0.000 1.181 150 A CA 1.608 53.245 52.037 -0.665 0.000 0.623 150 A CB -1.060 17.386 19.000 -0.923 0.000 0.818 150 A HN 0.317 nan 8.150 nan 0.000 0.443 151 A N -0.473 121.922 122.820 -0.708 0.000 1.969 151 A HA -0.136 4.185 4.320 0.001 0.000 0.218 151 A C 1.938 179.515 177.584 -0.013 0.000 1.169 151 A CA 1.528 53.408 52.037 -0.262 0.000 0.635 151 A CB -0.425 18.549 19.000 -0.042 0.000 0.810 151 A HN 0.630 nan 8.150 nan 0.000 0.445 152 E N -0.664 119.523 120.200 -0.023 0.000 2.072 152 E HA -0.107 4.243 4.350 0.001 0.000 0.191 152 E C 2.211 178.844 176.600 0.054 0.000 0.985 152 E CA 0.741 57.191 56.400 0.082 0.000 0.801 152 E CB -0.339 29.490 29.700 0.215 0.000 0.750 152 E HN 0.605 nan 8.360 nan 0.000 0.452 153 G N 0.626 109.376 108.800 -0.083 0.000 2.446 153 G HA2 -0.322 3.638 3.960 0.001 0.000 0.217 153 G HA3 -0.322 3.638 3.960 0.001 0.000 0.217 153 G C 1.405 176.327 174.900 0.037 0.000 1.168 153 G CA 0.985 46.034 45.100 -0.085 0.000 0.771 153 G HN 0.292 nan 8.290 nan 0.000 0.551 154 Y N 1.853 122.132 120.300 -0.036 0.000 2.081 154 Y HA -0.142 4.408 4.550 0.001 0.000 0.280 154 Y C 3.021 178.967 175.900 0.076 0.000 1.163 154 Y CA 2.090 60.240 58.100 0.084 0.000 1.135 154 Y CB -0.245 38.359 38.460 0.241 0.000 0.970 154 Y HN 0.266 nan 8.280 nan 0.000 0.498 155 A N 0.266 123.267 122.820 0.301 0.000 1.873 155 A HA -0.175 4.145 4.320 0.001 0.000 0.215 155 A C 2.209 179.850 177.584 0.094 0.000 1.186 155 A CA 1.781 53.941 52.037 0.206 0.000 0.616 155 A CB -0.628 18.474 19.000 0.170 0.000 0.823 155 A HN 0.527 nan 8.150 nan 0.000 0.442 156 R N 0.256 120.800 120.500 0.073 0.000 2.152 156 R HA -0.079 4.262 4.340 0.001 0.000 0.232 156 R C 2.007 178.315 176.300 0.012 0.000 1.117 156 R CA 1.484 57.606 56.100 0.038 0.000 0.981 156 R CB -0.233 30.089 30.300 0.037 0.000 0.870 156 R HN 0.656 nan 8.270 nan 0.000 0.451 157 S N -1.081 114.615 115.700 -0.006 0.000 2.597 157 S HA 0.075 4.546 4.470 0.001 0.000 0.224 157 S C 1.189 175.762 174.600 -0.045 0.000 0.955 157 S CA 0.290 58.475 58.200 -0.024 0.000 0.933 157 S CB 0.585 63.763 63.200 -0.037 0.000 0.788 157 S HN 0.251 nan 8.310 nan 0.000 0.488 158 S N -1.225 114.449 115.700 -0.044 0.000 2.658 158 S HA 0.505 4.975 4.470 0.001 0.000 0.277 158 S C 1.545 176.143 174.600 -0.004 0.000 1.078 158 S CA 0.608 58.773 58.200 -0.058 0.000 1.124 158 S CB -0.261 62.837 63.200 -0.170 0.000 1.016 158 S HN 1.477 nan 8.310 nan 0.000 0.543 159 G N 1.910 110.725 108.800 0.023 0.000 2.199 159 G HA2 -0.247 3.714 3.960 0.001 0.000 0.254 159 G HA3 -0.247 3.714 3.960 0.001 0.000 0.254 159 G C -0.010 174.934 174.900 0.073 0.000 0.982 159 G CA 0.420 45.547 45.100 0.045 0.000 0.632 159 G HN 0.654 nan 8.290 nan 0.000 0.529 160 K N 1.521 121.977 120.400 0.094 0.000 2.107 160 K HA 0.458 4.778 4.320 0.001 0.000 0.251 160 K C -2.245 174.481 176.600 0.211 0.000 1.012 160 K CA -1.391 54.996 56.287 0.166 0.000 0.920 160 K CB 0.984 33.615 32.500 0.218 0.000 1.033 160 K HN 0.115 nan 8.250 nan 0.000 0.478 161 P HA 0.071 nan 4.420 nan 0.000 0.279 161 P C -0.538 176.890 177.300 0.213 0.000 1.239 161 P CA -0.401 62.798 63.100 0.165 0.000 0.789 161 P CB 0.909 32.663 31.700 0.090 0.000 0.933 162 G N 2.410 111.304 108.800 0.156 0.000 2.356 162 G HA2 0.538 4.498 3.960 0.001 0.000 0.298 162 G HA3 0.538 4.498 3.960 0.001 0.000 0.298 162 G C -0.771 174.147 174.900 0.028 0.000 1.145 162 G CA -0.426 44.752 45.100 0.130 0.000 0.850 162 G HN 0.330 nan 8.290 nan 0.000 0.487 163 I N 1.532 122.112 120.570 0.017 0.000 2.406 163 I HA 0.409 4.579 4.170 0.001 0.000 0.290 163 I C 0.314 176.488 176.117 0.096 0.000 0.999 163 I CA -0.586 60.725 61.300 0.018 0.000 1.124 163 I CB 1.824 39.843 38.000 0.032 0.000 1.289 163 I HN 0.682 nan 8.210 nan 0.000 0.441 164 C N 5.430 124.769 119.300 0.066 0.000 2.712 164 C HA 0.881 5.341 4.460 0.001 0.000 0.308 164 C C -0.526 174.492 174.990 0.047 0.000 1.201 164 C CA -1.028 58.047 59.018 0.095 0.000 1.554 164 C CB 0.637 28.424 27.740 0.078 0.000 2.117 164 C HN 0.687 nan 8.230 nan 0.000 0.480 165 I N 2.025 122.631 120.570 0.060 0.000 2.608 165 I HA 0.789 4.959 4.170 0.001 0.000 0.295 165 I C 0.229 176.410 176.117 0.108 0.000 1.049 165 I CA -0.478 60.853 61.300 0.051 0.000 1.063 165 I CB 1.968 39.963 38.000 -0.007 0.000 1.248 165 I HN 1.097 nan 8.210 nan 0.000 0.424 166 A N 3.096 125.970 122.820 0.091 0.000 2.556 166 A HA 0.741 5.061 4.320 0.001 0.000 0.294 166 A C -0.471 177.159 177.584 0.078 0.000 1.091 166 A CA -0.530 51.564 52.037 0.096 0.000 0.704 166 A CB 1.909 20.926 19.000 0.028 0.000 1.300 166 A HN 0.602 nan 8.150 nan 0.000 0.406 167 T N 0.201 114.795 114.554 0.067 0.000 2.698 167 T HA 0.475 4.825 4.350 0.001 0.000 0.295 167 T C 1.132 175.823 174.700 -0.013 0.000 1.007 167 T CA 0.483 62.601 62.100 0.030 0.000 0.980 167 T CB 0.052 68.930 68.868 0.017 0.000 1.036 167 T HN 1.664 nan 8.240 nan 0.000 0.526 168 S N 0.261 115.941 115.700 -0.034 0.000 2.606 168 S HA 0.511 4.982 4.470 0.001 0.000 0.257 168 S C 1.382 175.923 174.600 -0.098 0.000 1.327 168 S CA -0.069 58.094 58.200 -0.060 0.000 0.984 168 S CB -0.308 62.853 63.200 -0.065 0.000 0.941 168 S HN 1.624 nan 8.310 nan 0.000 0.576 169 G N 1.527 110.264 108.800 -0.105 0.000 2.646 169 G HA2 -0.298 3.662 3.960 0.001 0.000 0.324 169 G HA3 -0.298 3.662 3.960 0.001 0.000 0.324 169 G C -1.084 173.746 174.900 -0.118 0.000 1.195 169 G CA 0.446 45.470 45.100 -0.127 0.000 0.976 169 G HN 0.740 nan 8.290 nan 0.000 0.546 170 P HA -0.020 nan 4.420 nan 0.000 0.218 170 P C 2.006 179.219 177.300 -0.145 0.000 1.149 170 P CA 2.594 65.613 63.100 -0.135 0.000 0.817 170 P CB -0.724 30.889 31.700 -0.146 0.000 0.785 171 G N 0.875 109.597 108.800 -0.130 0.000 2.459 171 G HA2 -0.258 3.702 3.960 0.001 0.000 0.217 171 G HA3 -0.258 3.702 3.960 0.001 0.000 0.217 171 G C 1.850 176.692 174.900 -0.097 0.000 1.183 171 G CA 1.344 46.374 45.100 -0.117 0.000 0.776 171 G HN 0.356 nan 8.290 nan 0.000 0.552 172 A N 0.774 123.548 122.820 -0.076 0.000 1.877 172 A HA -0.074 4.246 4.320 0.001 0.000 0.216 172 A C 2.673 180.214 177.584 -0.071 0.000 1.186 172 A CA 3.062 55.061 52.037 -0.063 0.000 0.620 172 A CB -1.305 17.663 19.000 -0.053 0.000 0.822 172 A HN 0.608 nan 8.150 nan 0.000 0.443 173 T N -1.891 112.617 114.554 -0.077 0.000 2.881 173 T HA -0.150 4.200 4.350 0.001 0.000 0.270 173 T C 1.378 176.035 174.700 -0.073 0.000 1.068 173 T CA 1.636 63.694 62.100 -0.070 0.000 1.131 173 T CB -0.848 67.980 68.868 -0.067 0.000 0.871 173 T HN 0.620 nan 8.240 nan 0.000 0.479 174 N N 0.761 119.406 118.700 -0.090 0.000 2.512 174 N HA 0.165 4.905 4.740 0.001 0.000 0.183 174 N C 1.392 176.842 175.510 -0.100 0.000 1.073 174 N CA 0.291 53.295 53.050 -0.076 0.000 0.911 174 N CB -0.292 38.114 38.487 -0.135 0.000 0.964 174 N HN 0.399 nan 8.380 nan 0.000 0.447 175 L N -0.265 120.894 121.223 -0.107 0.000 2.418 175 L HA 0.014 4.355 4.340 0.001 0.000 0.218 175 L C 1.944 178.739 176.870 -0.125 0.000 1.125 175 L CA 0.117 54.880 54.840 -0.128 0.000 0.835 175 L CB -0.092 41.913 42.059 -0.090 0.000 0.953 175 L HN 0.032 nan 8.230 nan 0.000 0.454 176 V N -0.374 119.485 119.914 -0.092 0.000 2.324 176 V HA -0.327 3.793 4.120 0.001 0.000 0.250 176 V C 2.576 178.637 176.094 -0.055 0.000 1.060 176 V CA 2.254 64.515 62.300 -0.064 0.000 1.042 176 V CB -0.350 31.444 31.823 -0.050 0.000 0.650 176 V HN 0.429 nan 8.190 nan 0.000 0.450 177 S N 0.160 115.816 115.700 -0.072 0.000 2.382 177 S HA -0.122 4.348 4.470 0.001 0.000 0.228 177 S C 2.017 176.638 174.600 0.036 0.000 1.027 177 S CA 1.264 59.457 58.200 -0.011 0.000 0.991 177 S CB -0.590 62.615 63.200 0.010 0.000 0.823 177 S HN 0.719 nan 8.310 nan 0.000 0.469 178 G N 1.718 110.438 108.800 -0.135 0.000 2.402 178 G HA2 -0.106 3.854 3.960 0.001 0.000 0.216 178 G HA3 -0.106 3.854 3.960 0.001 0.000 0.216 178 G C 1.330 176.265 174.900 0.059 0.000 1.162 178 G CA 0.544 45.621 45.100 -0.038 0.000 0.777 178 G HN 0.426 nan 8.290 nan 0.000 0.539 179 L N 0.779 121.999 121.223 -0.005 0.000 1.994 179 L HA -0.070 4.270 4.340 0.001 0.000 0.208 179 L C 3.436 180.318 176.870 0.021 0.000 1.071 179 L CA 1.176 56.017 54.840 0.003 0.000 0.745 179 L CB -0.585 41.461 42.059 -0.021 0.000 0.892 179 L HN 0.286 nan 8.230 nan 0.000 0.431 180 A N -0.069 122.762 122.820 0.020 0.000 1.940 180 A HA -0.314 4.007 4.320 0.001 0.000 0.219 180 A C 1.954 179.559 177.584 0.034 0.000 1.176 180 A CA 2.324 54.373 52.037 0.020 0.000 0.631 180 A CB -0.735 18.274 19.000 0.015 0.000 0.814 180 A HN 0.474 nan 8.150 nan 0.000 0.446 181 D N -0.460 119.987 120.400 0.079 0.000 2.097 181 D HA -0.019 4.622 4.640 0.001 0.000 0.195 181 D C 2.073 178.402 176.300 0.048 0.000 0.989 181 D CA 1.647 55.694 54.000 0.078 0.000 0.827 181 D CB -0.220 40.710 40.800 0.217 0.000 0.966 181 D HN 0.341 nan 8.370 nan 0.000 0.456 182 A N -0.151 122.715 122.820 0.076 0.000 1.972 182 A HA -0.083 4.237 4.320 0.001 0.000 0.219 182 A C 2.114 179.711 177.584 0.021 0.000 1.169 182 A CA 1.185 53.253 52.037 0.052 0.000 0.635 182 A CB -0.743 18.291 19.000 0.056 0.000 0.810 182 A HN 0.385 nan 8.150 nan 0.000 0.446 183 L N -0.581 120.651 121.223 0.015 0.000 2.027 183 L HA -0.003 4.338 4.340 0.001 0.000 0.206 183 L C 2.202 179.072 176.870 0.001 0.000 1.074 183 L CA 1.598 56.441 54.840 0.006 0.000 0.745 183 L CB -0.439 41.622 42.059 0.004 0.000 0.898 183 L HN 0.356 nan 8.230 nan 0.000 0.433 184 L N -0.693 120.527 121.223 -0.005 0.000 2.201 184 L HA -0.133 4.208 4.340 0.001 0.000 0.212 184 L C 1.273 178.131 176.870 -0.020 0.000 1.105 184 L CA 0.920 55.752 54.840 -0.014 0.000 0.775 184 L CB -0.365 41.680 42.059 -0.023 0.000 0.913 184 L HN 0.276 nan 8.230 nan 0.000 0.440 185 D N -1.163 119.221 120.400 -0.026 0.000 2.369 185 D HA 0.068 4.708 4.640 0.001 0.000 0.211 185 D C 0.440 176.732 176.300 -0.014 0.000 1.077 185 D CA 0.174 54.153 54.000 -0.035 0.000 0.842 185 D CB 0.472 41.229 40.800 -0.072 0.000 0.947 185 D HN -0.042 nan 8.370 nan 0.000 0.509 186 S N -0.325 115.373 115.700 -0.003 0.000 3.711 186 S HA -0.136 4.334 4.470 0.001 0.000 0.374 186 S C 0.007 174.612 174.600 0.008 0.000 0.969 186 S CA -0.044 58.158 58.200 0.003 0.000 1.198 186 S CB -1.336 61.867 63.200 0.004 0.000 0.903 186 S HN 0.099 nan 8.310 nan 0.000 0.493 187 V N 3.209 123.132 119.914 0.014 0.000 2.370 187 V HA 0.386 4.506 4.120 0.001 0.000 0.279 187 V C -1.760 174.347 176.094 0.022 0.000 1.029 187 V CA -1.916 60.400 62.300 0.027 0.000 0.870 187 V CB 1.450 33.301 31.823 0.047 0.000 0.984 187 V HN 0.189 nan 8.190 nan 0.000 0.451 188 P HA 0.242 nan 4.420 nan 0.000 0.270 188 P C -0.902 176.395 177.300 -0.006 0.000 1.242 188 P CA -0.012 63.089 63.100 0.002 0.000 0.768 188 P CB 1.102 32.814 31.700 0.019 0.000 0.820 189 L N 4.948 126.141 121.223 -0.050 0.000 2.455 189 L HA 0.438 4.778 4.340 0.001 0.000 0.264 189 L C -1.136 175.641 176.870 -0.154 0.000 0.968 189 L CA -0.805 53.994 54.840 -0.068 0.000 0.827 189 L CB 2.609 44.656 42.059 -0.021 0.000 1.317 189 L HN 0.031 nan 8.230 nan 0.000 0.407 190 V N 4.033 123.811 119.914 -0.226 0.000 2.378 190 V HA 0.816 4.937 4.120 0.001 0.000 0.288 190 V C -0.038 175.978 176.094 -0.129 0.000 1.016 190 V CA -0.397 61.736 62.300 -0.277 0.000 0.840 190 V CB 1.407 32.841 31.823 -0.649 0.000 0.994 190 V HN 0.858 nan 8.190 nan 0.000 0.431 191 A N 6.733 129.507 122.820 -0.076 0.000 2.288 191 A HA 0.880 5.200 4.320 0.001 0.000 0.320 191 A C -0.692 176.882 177.584 -0.017 0.000 1.217 191 A CA -0.428 51.588 52.037 -0.035 0.000 0.840 191 A CB 0.512 19.493 19.000 -0.032 0.000 1.179 191 A HN 0.775 nan 8.150 nan 0.000 0.504 192 I N 2.544 123.113 120.570 -0.001 0.000 2.378 192 I HA 0.438 4.609 4.170 0.001 0.000 0.291 192 I C 0.211 176.337 176.117 0.014 0.000 0.992 192 I CA -0.206 61.100 61.300 0.010 0.000 1.154 192 I CB 2.375 40.386 38.000 0.018 0.000 1.315 192 I HN 0.720 nan 8.210 nan 0.000 0.448 193 T N 1.846 116.407 114.554 0.012 0.000 2.841 193 T HA 0.658 5.009 4.350 0.001 0.000 0.283 193 T C 0.151 174.860 174.700 0.015 0.000 1.000 193 T CA -0.852 61.255 62.100 0.012 0.000 0.977 193 T CB 1.651 70.516 68.868 -0.004 0.000 0.979 193 T HN 0.669 nan 8.240 nan 0.000 0.446 194 G N 1.016 109.831 108.800 0.024 0.000 2.594 194 G HA2 0.482 4.442 3.960 0.001 0.000 0.243 194 G HA3 0.482 4.442 3.960 0.001 0.000 0.243 194 G C -0.591 174.312 174.900 0.005 0.000 1.229 194 G CA -0.194 44.919 45.100 0.022 0.000 0.843 194 G HN 0.868 nan 8.290 nan 0.000 0.578 195 Q N -0.844 118.959 119.800 0.004 0.000 2.456 195 Q HA 0.475 4.815 4.340 0.001 0.000 0.284 195 Q C -0.070 175.932 176.000 0.003 0.000 1.061 195 Q CA -0.709 55.091 55.803 -0.004 0.000 0.799 195 Q CB 1.902 30.638 28.738 -0.004 0.000 1.445 195 Q HN 1.035 nan 8.270 nan 0.000 0.411 196 V N 0.325 120.240 119.914 0.001 0.000 3.178 196 V HA 0.417 4.538 4.120 0.001 0.000 0.306 196 V C -2.220 173.883 176.094 0.016 0.000 1.107 196 V CA -1.116 61.194 62.300 0.016 0.000 1.195 196 V CB -0.447 31.387 31.823 0.019 0.000 0.993 196 V HN 0.782 nan 8.190 nan 0.000 0.493 197 P HA 0.199 nan 4.420 nan 0.000 0.266 197 P C 0.566 177.871 177.300 0.009 0.000 1.195 197 P CA 0.031 63.139 63.100 0.014 0.000 0.768 197 P CB 0.333 32.042 31.700 0.016 0.000 0.838 198 R N 2.401 122.904 120.500 0.004 0.000 2.119 198 R HA -0.219 4.122 4.340 0.001 0.000 0.246 198 R C 1.961 178.262 176.300 0.002 0.000 1.146 198 R CA 1.745 57.846 56.100 0.002 0.000 0.962 198 R CB -0.423 29.876 30.300 -0.001 0.000 0.863 198 R HN 0.501 nan 8.270 nan 0.000 0.442 199 R N -0.050 120.452 120.500 0.003 0.000 2.249 199 R HA -0.086 4.254 4.340 0.001 0.000 0.230 199 R C 1.558 177.861 176.300 0.006 0.000 1.121 199 R CA 1.182 57.284 56.100 0.003 0.000 0.997 199 R CB -0.098 30.204 30.300 0.003 0.000 0.867 199 R HN 0.300 nan 8.270 nan 0.000 0.465 200 M N -0.047 119.558 119.600 0.009 0.000 2.306 200 M HA 0.224 4.705 4.480 0.001 0.000 0.292 200 M C -0.096 176.209 176.300 0.009 0.000 1.018 200 M CA -0.143 55.164 55.300 0.012 0.000 1.007 200 M CB 0.887 33.500 32.600 0.022 0.000 1.510 200 M HN -0.047 nan 8.290 nan 0.000 0.537 201 I N 1.875 122.448 120.570 0.005 0.000 2.662 201 I HA 0.029 4.200 4.170 0.001 0.000 0.285 201 I C 1.237 177.353 176.117 -0.001 0.000 1.161 201 I CA 0.890 62.190 61.300 0.000 0.000 1.415 201 I CB 0.132 38.131 38.000 -0.002 0.000 1.385 201 I HN 0.657 nan 8.210 nan 0.000 0.552 202 G N 3.915 112.714 108.800 -0.003 0.000 2.179 202 G HA2 -0.273 3.687 3.960 0.001 0.000 0.220 202 G HA3 -0.273 3.687 3.960 0.001 0.000 0.220 202 G C 0.733 175.633 174.900 0.000 0.000 0.990 202 G CA 0.288 45.386 45.100 -0.003 0.000 0.646 202 G HN 0.688 nan 8.290 nan 0.000 0.517 203 T N -1.468 113.088 114.554 0.004 0.000 3.105 203 T HA 0.400 4.750 4.350 0.001 0.000 0.253 203 T C 0.642 175.349 174.700 0.012 0.000 1.047 203 T CA 0.996 63.101 62.100 0.008 0.000 0.944 203 T CB -0.038 68.837 68.868 0.012 0.000 1.016 203 T HN 0.507 nan 8.240 nan 0.000 0.544 204 D N 1.125 121.529 120.400 0.007 0.000 2.689 204 D HA -0.108 4.532 4.640 0.001 0.000 0.237 204 D C 0.468 176.783 176.300 0.025 0.000 1.148 204 D CA 0.794 54.798 54.000 0.008 0.000 0.656 204 D CB -1.772 39.033 40.800 0.007 0.000 1.050 204 D HN 0.881 nan 8.370 nan 0.000 0.426 205 A N -0.207 122.632 122.820 0.031 0.000 2.346 205 A HA 0.450 4.770 4.320 0.001 0.000 0.255 205 A C 0.346 177.989 177.584 0.099 0.000 1.113 205 A CA -0.450 51.628 52.037 0.069 0.000 0.798 205 A CB 0.185 19.224 19.000 0.065 0.000 1.073 205 A HN 0.261 nan 8.150 nan 0.000 0.502 206 F N 0.789 120.734 119.950 -0.009 0.000 2.571 206 F HA 0.142 4.669 4.527 0.000 0.000 0.390 206 F C 1.108 176.902 175.800 -0.010 0.000 1.043 206 F CA 1.223 59.217 58.000 -0.009 0.000 1.164 206 F CB -0.545 38.450 39.000 -0.009 0.000 1.049 206 F HN 0.727 nan 8.300 nan 0.000 0.552 207 Q N 2.410 121.871 119.800 -0.565 0.000 2.468 207 Q HA -0.290 4.051 4.340 0.001 0.000 0.289 207 Q C -0.289 175.578 176.000 -0.221 0.000 1.299 207 Q CA 1.001 56.511 55.803 -0.488 0.000 0.838 207 Q CB -1.381 26.945 28.738 -0.688 0.000 1.195 207 Q HN 0.814 nan 8.270 nan 0.000 0.456 208 E N 0.503 120.625 120.200 -0.129 0.000 2.191 208 E HA 0.442 4.793 4.350 0.001 0.000 0.278 208 E C -0.767 175.793 176.600 -0.067 0.000 0.972 208 E CA -0.106 56.250 56.400 -0.072 0.000 0.804 208 E CB 1.250 30.931 29.700 -0.032 0.000 1.110 208 E HN 0.087 nan 8.360 nan 0.000 0.394 209 T N 5.096 119.615 114.554 -0.058 0.000 2.971 209 T HA 0.302 4.652 4.350 0.001 0.000 0.304 209 T C -2.611 172.065 174.700 -0.040 0.000 1.038 209 T CA -1.238 60.832 62.100 -0.050 0.000 1.007 209 T CB 1.778 70.610 68.868 -0.060 0.000 1.055 209 T HN 0.343 nan 8.240 nan 0.000 0.451 210 P HA 0.238 nan 4.420 nan 0.000 0.249 210 P C 0.725 178.005 177.300 -0.034 0.000 1.737 210 P CA -0.279 62.803 63.100 -0.030 0.000 1.128 210 P CB -0.070 31.614 31.700 -0.026 0.000 1.942 211 I N 3.194 123.742 120.570 -0.036 0.000 2.394 211 I HA -0.202 3.968 4.170 0.001 0.000 0.251 211 I C 1.970 178.062 176.117 -0.041 0.000 1.136 211 I CA 1.313 62.590 61.300 -0.039 0.000 1.425 211 I CB -0.113 37.864 38.000 -0.039 0.000 1.079 211 I HN -0.057 nan 8.210 nan 0.000 0.425 212 V N 0.389 120.278 119.914 -0.042 0.000 2.343 212 V HA -0.286 3.835 4.120 0.001 0.000 0.247 212 V C 2.473 178.536 176.094 -0.053 0.000 1.051 212 V CA 2.098 64.366 62.300 -0.054 0.000 1.036 212 V CB -0.834 30.957 31.823 -0.054 0.000 0.654 212 V HN 0.476 nan 8.190 nan 0.000 0.451 213 E N 0.373 120.548 120.200 -0.041 0.000 2.031 213 E HA -0.181 4.170 4.350 0.001 0.000 0.193 213 E C 2.112 178.691 176.600 -0.034 0.000 0.994 213 E CA 1.745 58.124 56.400 -0.035 0.000 0.800 213 E CB -0.336 29.347 29.700 -0.029 0.000 0.752 213 E HN 0.302 nan 8.360 nan 0.000 0.447 214 V N 0.531 120.425 119.914 -0.035 0.000 2.287 214 V HA -0.272 3.848 4.120 0.001 0.000 0.248 214 V C 2.446 178.520 176.094 -0.034 0.000 1.053 214 V CA 2.342 64.622 62.300 -0.033 0.000 1.027 214 V CB -0.955 30.847 31.823 -0.035 0.000 0.646 214 V HN 0.638 nan 8.190 nan 0.000 0.447 215 T N -2.382 112.148 114.554 -0.039 0.000 3.129 215 T HA -0.011 4.339 4.350 0.001 0.000 0.251 215 T C 1.741 176.417 174.700 -0.040 0.000 1.117 215 T CA 0.370 62.446 62.100 -0.039 0.000 1.034 215 T CB -0.234 68.608 68.868 -0.043 0.000 0.968 215 T HN 0.382 nan 8.240 nan 0.000 0.526 216 R N 1.972 122.447 120.500 -0.041 0.000 2.091 216 R HA -0.115 4.225 4.340 0.001 0.000 0.238 216 R C 2.318 178.604 176.300 -0.023 0.000 1.136 216 R CA 1.956 58.032 56.100 -0.040 0.000 0.959 216 R CB -0.385 29.892 30.300 -0.038 0.000 0.856 216 R HN 0.585 nan 8.270 nan 0.000 0.437 217 S N -0.121 115.567 115.700 -0.020 0.000 2.593 217 S HA 0.020 4.490 4.470 0.001 0.000 0.217 217 S C 1.532 176.125 174.600 -0.012 0.000 0.966 217 S CA 0.248 58.440 58.200 -0.013 0.000 0.914 217 S CB -0.103 63.089 63.200 -0.013 0.000 0.776 217 S HN 0.574 nan 8.310 nan 0.000 0.523 218 I N -0.414 120.147 120.570 -0.015 0.000 4.102 218 I HA 0.380 4.551 4.170 0.001 0.000 0.325 218 I C -0.077 176.033 176.117 -0.011 0.000 1.471 218 I CA -0.553 60.740 61.300 -0.012 0.000 1.133 218 I CB 0.457 38.449 38.000 -0.013 0.000 1.184 218 I HN 0.183 nan 8.210 nan 0.000 0.451 219 T N -3.012 111.534 114.554 -0.013 0.000 2.901 219 T HA 0.360 4.710 4.350 0.001 0.000 0.293 219 T C 0.515 175.217 174.700 0.003 0.000 1.084 219 T CA -0.713 61.381 62.100 -0.011 0.000 1.008 219 T CB 2.889 71.742 68.868 -0.026 0.000 1.170 219 T HN 0.145 nan 8.240 nan 0.000 0.509 220 K N -0.185 120.220 120.400 0.010 0.000 2.057 220 K HA -0.078 4.243 4.320 0.001 0.000 0.207 220 K C 0.229 176.869 176.600 0.066 0.000 1.049 220 K CA 1.336 57.636 56.287 0.022 0.000 0.931 220 K CB -0.004 32.500 32.500 0.007 0.000 0.714 220 K HN 0.753 nan 8.250 nan 0.000 0.440 221 H N -1.329 117.683 119.070 -0.097 0.000 3.003 221 H HA 0.286 4.843 4.556 0.001 0.000 0.327 221 H C -1.752 173.476 175.328 -0.167 0.000 1.353 221 H CA -1.078 54.871 56.048 -0.164 0.000 1.142 221 H CB 1.165 30.800 29.762 -0.213 0.000 1.864 221 H HN 0.280 nan 8.280 nan 0.000 0.529 222 N N 0.402 118.656 118.700 -0.743 0.000 2.853 222 N HA 0.412 5.152 4.740 0.001 0.000 0.258 222 N C -2.012 173.009 175.510 -0.815 0.000 1.444 222 N CA -0.694 52.042 53.050 -0.524 0.000 0.837 222 N CB 1.553 39.904 38.487 -0.228 0.000 1.489 222 N HN 0.423 nan 8.380 nan 0.000 0.529 223 Y N -1.022 119.133 120.300 -0.243 0.000 2.470 223 Y HA 0.542 5.093 4.550 0.001 0.000 0.341 223 Y C -1.214 174.625 175.900 -0.101 0.000 1.021 223 Y CA -0.986 57.011 58.100 -0.172 0.000 1.025 223 Y CB 2.059 40.448 38.460 -0.118 0.000 1.266 223 Y HN 0.583 nan 8.280 nan 0.000 0.448 224 L N 3.795 125.064 121.223 0.078 0.000 2.280 224 L HA 0.644 4.985 4.340 0.001 0.000 0.287 224 L C -1.115 175.791 176.870 0.059 0.000 1.023 224 L CA -0.662 54.206 54.840 0.047 0.000 0.819 224 L CB 1.076 43.142 42.059 0.011 0.000 1.212 224 L HN 0.458 nan 8.230 nan 0.000 0.420 225 V N 7.217 127.152 119.914 0.036 0.000 2.427 225 V HA 0.141 4.262 4.120 0.001 0.000 0.268 225 V C 1.021 177.117 176.094 0.004 0.000 1.046 225 V CA -0.027 62.281 62.300 0.012 0.000 0.970 225 V CB 1.037 32.854 31.823 -0.011 0.000 1.001 225 V HN 0.809 nan 8.190 nan 0.000 0.476 226 M N 2.654 122.255 119.600 0.002 0.000 2.333 226 M HA 0.361 4.841 4.480 0.001 0.000 0.257 226 M C -0.049 176.242 176.300 -0.013 0.000 1.078 226 M CA 0.323 55.621 55.300 -0.003 0.000 1.005 226 M CB -0.029 32.573 32.600 0.003 0.000 1.444 226 M HN 0.715 nan 8.290 nan 0.000 0.496 227 D N -0.729 119.657 120.400 -0.023 0.000 2.886 227 D HA 0.108 4.748 4.640 0.001 0.000 0.216 227 D C 0.315 176.585 176.300 -0.051 0.000 1.256 227 D CA -0.169 53.810 54.000 -0.035 0.000 0.844 227 D CB 2.293 43.071 40.800 -0.036 0.000 1.669 227 D HN -0.186 nan 8.370 nan 0.000 0.513 228 V N 3.755 123.634 119.914 -0.059 0.000 2.568 228 V HA -0.153 3.967 4.120 0.001 0.000 0.253 228 V C 1.665 177.694 176.094 -0.109 0.000 1.072 228 V CA 1.917 64.170 62.300 -0.079 0.000 1.084 228 V CB -0.215 31.562 31.823 -0.078 0.000 0.676 228 V HN 0.542 nan 8.190 nan 0.000 0.469 229 E N -0.205 119.934 120.200 -0.102 0.000 2.204 229 E HA -0.202 4.148 4.350 0.001 0.000 0.195 229 E C 1.581 178.103 176.600 -0.130 0.000 0.990 229 E CA 1.437 57.763 56.400 -0.123 0.000 0.821 229 E CB -0.248 29.396 29.700 -0.094 0.000 0.750 229 E HN 0.688 nan 8.360 nan 0.000 0.477 230 D N 0.104 120.443 120.400 -0.103 0.000 2.349 230 D HA 0.073 4.713 4.640 0.001 0.000 0.215 230 D C 1.863 178.093 176.300 -0.117 0.000 1.016 230 D CA 0.033 53.975 54.000 -0.096 0.000 0.870 230 D CB 0.025 40.787 40.800 -0.064 0.000 0.917 230 D HN 0.187 nan 8.370 nan 0.000 0.524 231 I N 1.395 121.890 120.570 -0.125 0.000 2.142 231 I HA -0.184 3.986 4.170 0.001 0.000 0.240 231 I C -0.604 175.454 176.117 -0.098 0.000 1.078 231 I CA 1.128 62.364 61.300 -0.108 0.000 1.343 231 I CB -1.180 36.766 38.000 -0.089 0.000 1.046 231 I HN -0.016 nan 8.210 nan 0.000 0.405 232 P HA -0.207 nan 4.420 nan 0.000 0.215 232 P C 1.622 178.902 177.300 -0.033 0.000 1.157 232 P CA 1.549 64.593 63.100 -0.094 0.000 0.874 232 P CB -0.138 31.349 31.700 -0.356 0.000 0.790 233 R N -0.416 120.033 120.500 -0.084 0.000 2.075 233 R HA -0.067 4.273 4.340 0.001 0.000 0.232 233 R C 2.256 178.493 176.300 -0.105 0.000 1.126 233 R CA 1.304 57.363 56.100 -0.069 0.000 0.963 233 R CB -0.726 29.532 30.300 -0.070 0.000 0.858 233 R HN 0.163 nan 8.270 nan 0.000 0.435 234 I N 0.654 121.115 120.570 -0.181 0.000 2.252 234 I HA -0.270 3.900 4.170 0.001 0.000 0.245 234 I C 2.085 178.030 176.117 -0.287 0.000 1.102 234 I CA 0.689 61.749 61.300 -0.400 0.000 1.385 234 I CB -0.140 37.571 38.000 -0.483 0.000 1.064 234 I HN 0.182 nan 8.210 nan 0.000 0.414 235 I N 0.793 121.309 120.570 -0.090 0.000 2.179 235 I HA -0.294 3.877 4.170 0.001 0.000 0.242 235 I C 2.545 178.769 176.117 0.178 0.000 1.088 235 I CA 1.635 62.985 61.300 0.083 0.000 1.357 235 I CB -1.205 36.859 38.000 0.107 0.000 1.051 235 I HN 0.372 nan 8.210 nan 0.000 0.409 236 E N 1.117 121.368 120.200 0.085 0.000 2.058 236 E HA -0.244 4.106 4.350 0.001 0.000 0.194 236 E C 2.042 178.742 176.600 0.166 0.000 0.997 236 E CA 1.519 57.980 56.400 0.101 0.000 0.801 236 E CB 0.031 29.756 29.700 0.041 0.000 0.746 236 E HN 0.484 nan 8.360 nan 0.000 0.450 237 E N 0.013 120.269 120.200 0.093 0.000 2.077 237 E HA -0.213 4.138 4.350 0.001 0.000 0.193 237 E C 2.065 178.807 176.600 0.237 0.000 0.989 237 E CA 0.870 57.364 56.400 0.158 0.000 0.800 237 E CB -0.160 29.599 29.700 0.098 0.000 0.746 237 E HN 0.390 nan 8.360 nan 0.000 0.452 238 A N 0.799 123.711 122.820 0.154 0.000 1.877 238 A HA -0.176 4.145 4.320 0.001 0.000 0.216 238 A C 1.905 179.558 177.584 0.115 0.000 1.186 238 A CA 1.247 53.379 52.037 0.160 0.000 0.620 238 A CB -0.769 18.268 19.000 0.063 0.000 0.822 238 A HN 0.175 nan 8.150 nan 0.000 0.443 239 F N -1.657 118.346 119.950 0.089 0.000 2.186 239 F HA -0.037 4.491 4.527 0.001 0.000 0.299 239 F C 1.970 177.841 175.800 0.120 0.000 1.090 239 F CA 1.318 59.371 58.000 0.088 0.000 1.307 239 F CB -0.511 38.533 39.000 0.073 0.000 1.019 239 F HN 0.354 nan 8.300 nan 0.000 0.489 240 F N 0.536 120.604 119.950 0.197 0.000 2.075 240 F HA -0.180 4.347 4.527 0.001 0.000 0.297 240 F C 2.022 177.866 175.800 0.073 0.000 1.113 240 F CA 1.634 59.710 58.000 0.128 0.000 1.218 240 F CB -0.680 38.382 39.000 0.104 0.000 0.984 240 F HN -0.161 nan 8.300 nan 0.000 0.472 241 L N 0.011 121.239 121.223 0.009 0.000 2.083 241 L HA -0.202 4.138 4.340 0.001 0.000 0.209 241 L C 2.741 179.515 176.870 -0.159 0.000 1.083 241 L CA 1.204 55.906 54.840 -0.231 0.000 0.752 241 L CB -1.097 40.864 42.059 -0.163 0.000 0.899 241 L HN 0.276 nan 8.230 nan 0.000 0.433 242 A N -0.441 122.332 122.820 -0.079 0.000 2.015 242 A HA -0.179 4.141 4.320 0.001 0.000 0.219 242 A C 2.328 179.874 177.584 -0.063 0.000 1.163 242 A CA 2.147 54.137 52.037 -0.079 0.000 0.646 242 A CB -0.623 18.296 19.000 -0.134 0.000 0.806 242 A HN 0.531 nan 8.150 nan 0.000 0.448 243 T N -3.179 111.334 114.554 -0.069 0.000 3.000 243 T HA 0.182 4.532 4.350 0.001 0.000 0.248 243 T C 1.122 175.766 174.700 -0.094 0.000 1.034 243 T CA 0.673 62.748 62.100 -0.042 0.000 1.060 243 T CB -0.597 68.289 68.868 0.030 0.000 0.983 243 T HN 0.532 nan 8.240 nan 0.000 0.482 244 S N 0.566 116.130 115.700 -0.227 0.000 2.645 244 S HA 0.614 5.084 4.470 0.001 0.000 0.266 244 S C 1.398 175.948 174.600 -0.082 0.000 1.258 244 S CA -0.074 57.972 58.200 -0.256 0.000 0.990 244 S CB 0.247 63.035 63.200 -0.687 0.000 0.967 244 S HN 1.250 nan 8.310 nan 0.000 0.556 245 G N 1.438 110.200 108.800 -0.063 0.000 2.652 245 G HA2 -0.354 3.607 3.960 0.001 0.000 0.318 245 G HA3 -0.354 3.607 3.960 0.001 0.000 0.318 245 G C -0.019 174.869 174.900 -0.019 0.000 1.295 245 G CA 0.547 45.625 45.100 -0.037 0.000 0.999 245 G HN 1.094 nan 8.290 nan 0.000 0.548 246 R N 1.917 122.419 120.500 0.003 0.000 2.242 246 R HA 0.413 4.753 4.340 0.001 0.000 0.334 246 R C -2.197 174.110 176.300 0.011 0.000 1.071 246 R CA -1.254 54.849 56.100 0.004 0.000 0.922 246 R CB 0.405 30.710 30.300 0.009 0.000 1.023 246 R HN 0.258 nan 8.270 nan 0.000 0.458 247 P HA 0.184 nan 4.420 nan 0.000 0.270 247 P C -0.552 176.747 177.300 -0.002 0.000 1.223 247 P CA -0.074 63.022 63.100 -0.006 0.000 0.785 247 P CB 1.076 32.776 31.700 -0.001 0.000 0.923 248 G N 0.730 109.524 108.800 -0.010 0.000 2.506 248 G HA2 0.486 4.447 3.960 0.001 0.000 0.292 248 G HA3 0.486 4.447 3.960 0.001 0.000 0.292 248 G C -3.348 171.541 174.900 -0.019 0.000 1.425 248 G CA -0.934 44.162 45.100 -0.007 0.000 0.788 248 G HN 0.256 nan 8.290 nan 0.000 0.490 249 P HA 0.529 nan 4.420 nan 0.000 0.285 249 P C -0.715 176.570 177.300 -0.024 0.000 1.259 249 P CA -0.420 62.665 63.100 -0.025 0.000 0.794 249 P CB 1.971 33.664 31.700 -0.013 0.000 0.940 250 V N 4.740 124.630 119.914 -0.039 0.000 2.588 250 V HA 0.388 4.508 4.120 0.001 0.000 0.304 250 V C 0.081 176.166 176.094 -0.014 0.000 1.042 250 V CA -0.786 61.509 62.300 -0.008 0.000 0.877 250 V CB 1.986 33.831 31.823 0.035 0.000 0.996 250 V HN 0.469 nan 8.190 nan 0.000 0.425 251 L N 5.478 126.699 121.223 -0.002 0.000 2.322 251 L HA 0.794 5.134 4.340 0.001 0.000 0.281 251 L C -1.054 175.847 176.870 0.053 0.000 1.014 251 L CA -0.395 54.445 54.840 -0.000 0.000 0.815 251 L CB 1.802 43.846 42.059 -0.026 0.000 1.247 251 L HN 0.474 nan 8.230 nan 0.000 0.421 252 V N 3.742 123.685 119.914 0.048 0.000 2.376 252 V HA 0.312 4.433 4.120 0.001 0.000 0.287 252 V C -0.815 175.299 176.094 0.032 0.000 1.015 252 V CA -0.568 61.772 62.300 0.067 0.000 0.834 252 V CB 1.473 33.315 31.823 0.032 0.000 1.001 252 V HN 0.673 nan 8.190 nan 0.000 0.428 253 D N 3.754 124.174 120.400 0.033 0.000 2.249 253 D HA 0.507 5.147 4.640 0.001 0.000 0.246 253 D C -0.662 175.646 176.300 0.013 0.000 1.114 253 D CA 0.057 54.065 54.000 0.014 0.000 0.854 253 D CB 1.736 42.538 40.800 0.003 0.000 1.132 253 D HN 0.292 nan 8.370 nan 0.000 0.461 254 V N 6.005 125.925 119.914 0.009 0.000 2.349 254 V HA 0.357 4.477 4.120 0.001 0.000 0.284 254 V C -2.216 173.881 176.094 0.006 0.000 1.014 254 V CA -1.799 60.504 62.300 0.006 0.000 0.826 254 V CB 1.410 33.237 31.823 0.006 0.000 1.009 254 V HN 0.511 nan 8.190 nan 0.000 0.431 255 P HA 0.122 nan 4.420 nan 0.000 0.268 255 P C 0.806 178.110 177.300 0.007 0.000 1.205 255 P CA -0.119 62.983 63.100 0.005 0.000 0.771 255 P CB 0.964 32.665 31.700 0.002 0.000 0.858 256 K N 3.454 123.861 120.400 0.013 0.000 2.074 256 K HA -0.238 4.082 4.320 0.001 0.000 0.209 256 K C 1.328 177.934 176.600 0.010 0.000 1.048 256 K CA 2.149 58.446 56.287 0.017 0.000 0.926 256 K CB -0.361 32.154 32.500 0.026 0.000 0.713 256 K HN 0.503 nan 8.250 nan 0.000 0.444 257 D N 0.592 120.996 120.400 0.006 0.000 2.219 257 D HA -0.186 4.455 4.640 0.001 0.000 0.205 257 D C 1.787 178.083 176.300 -0.007 0.000 0.970 257 D CA 0.847 54.847 54.000 0.000 0.000 0.851 257 D CB -0.196 40.604 40.800 -0.000 0.000 0.943 257 D HN 0.235 nan 8.370 nan 0.000 0.488 258 I N 0.862 121.427 120.570 -0.009 0.000 2.353 258 I HA -0.159 4.011 4.170 0.001 0.000 0.248 258 I C 2.400 178.505 176.117 -0.020 0.000 1.119 258 I CA 0.813 62.102 61.300 -0.018 0.000 1.417 258 I CB -1.093 36.895 38.000 -0.019 0.000 1.078 258 I HN 0.083 nan 8.210 nan 0.000 0.421 259 Q N 0.121 119.915 119.800 -0.009 0.000 2.226 259 Q HA -0.204 4.136 4.340 0.001 0.000 0.204 259 Q C 2.067 178.062 176.000 -0.009 0.000 0.975 259 Q CA 1.248 57.048 55.803 -0.005 0.000 0.866 259 Q CB -0.044 28.700 28.738 0.010 0.000 0.915 259 Q HN 0.590 nan 8.270 nan 0.000 0.440 260 Q N -0.134 119.661 119.800 -0.008 0.000 2.339 260 Q HA 0.021 4.362 4.340 0.001 0.000 0.205 260 Q C 0.213 176.202 176.000 -0.019 0.000 0.925 260 Q CA -0.075 55.723 55.803 -0.008 0.000 0.898 260 Q CB 0.467 29.205 28.738 -0.001 0.000 1.013 260 Q HN 0.269 nan 8.270 nan 0.000 0.504 261 Q N 1.240 121.024 119.800 -0.026 0.000 2.274 261 Q HA 0.069 4.410 4.340 0.001 0.000 0.280 261 Q C -0.973 174.997 176.000 -0.050 0.000 1.047 261 Q CA -0.025 55.757 55.803 -0.035 0.000 0.907 261 Q CB 0.459 29.175 28.738 -0.037 0.000 1.171 261 Q HN 0.229 nan 8.270 nan 0.000 0.381 262 L N 3.216 124.410 121.223 -0.049 0.000 2.349 262 L HA 0.589 4.929 4.340 0.001 0.000 0.275 262 L C -0.069 176.756 176.870 -0.076 0.000 1.115 262 L CA -0.264 54.538 54.840 -0.064 0.000 0.820 262 L CB 0.989 43.020 42.059 -0.047 0.000 1.135 262 L HN 0.744 nan 8.230 nan 0.000 0.445 263 A N 3.911 126.669 122.820 -0.103 0.000 2.599 263 A HA 0.747 5.068 4.320 0.001 0.000 0.290 263 A C -1.233 176.269 177.584 -0.136 0.000 1.101 263 A CA -0.567 51.403 52.037 -0.111 0.000 0.674 263 A CB 1.122 20.050 19.000 -0.121 0.000 1.277 263 A HN 0.551 nan 8.150 nan 0.000 0.419 264 I N 2.546 123.038 120.570 -0.130 0.000 2.328 264 I HA 0.369 4.540 4.170 0.001 0.000 0.287 264 I C -1.955 174.033 176.117 -0.216 0.000 1.012 264 I CA -1.707 59.512 61.300 -0.136 0.000 1.195 264 I CB 1.734 39.684 38.000 -0.083 0.000 1.350 264 I HN 0.453 nan 8.210 nan 0.000 0.464 265 P HA 0.089 nan 4.420 nan 0.000 0.275 265 P C -1.118 175.773 177.300 -0.681 0.000 1.228 265 P CA -0.388 62.343 63.100 -0.616 0.000 0.786 265 P CB 0.889 32.014 31.700 -0.958 0.000 0.927 266 N N 1.773 120.080 118.700 -0.654 0.000 2.443 266 N HA 0.152 4.892 4.740 0.001 0.000 0.269 266 N C -0.430 174.817 175.510 -0.438 0.000 0.985 266 N CA -0.581 52.208 53.050 -0.435 0.000 0.921 266 N CB 0.712 39.068 38.487 -0.220 0.000 1.195 266 N HN 0.398 nan 8.380 nan 0.000 0.492 267 W N 1.785 123.062 121.300 -0.037 0.000 3.278 267 W HA 0.256 4.916 4.660 0.001 0.000 0.308 267 W C 0.946 177.434 176.519 -0.053 0.000 1.253 267 W CA -0.398 56.914 57.345 -0.055 0.000 1.759 267 W CB 0.685 30.109 29.460 -0.059 0.000 1.093 267 W HN 0.469 nan 8.180 nan 0.000 0.648 268 E N 0.255 120.519 120.200 0.108 0.000 2.501 268 E HA 0.072 4.423 4.350 0.001 0.000 0.201 268 E C 0.065 176.674 176.600 0.016 0.000 1.016 268 E CA 0.082 56.518 56.400 0.061 0.000 0.920 268 E CB -0.023 29.706 29.700 0.048 0.000 1.023 268 E HN 0.376 nan 8.360 nan 0.000 0.474 269 Q N 1.136 120.934 119.800 -0.003 0.000 2.364 269 Q HA 0.282 4.623 4.340 0.001 0.000 0.267 269 Q C -0.121 175.866 176.000 -0.021 0.000 0.999 269 Q CA -0.136 55.652 55.803 -0.024 0.000 0.886 269 Q CB 0.894 29.604 28.738 -0.047 0.000 1.243 269 Q HN 0.151 nan 8.270 nan 0.000 0.415 270 A N 3.451 126.256 122.820 -0.025 0.000 2.401 270 A HA 0.271 4.591 4.320 0.001 0.000 0.259 270 A C -0.105 177.458 177.584 -0.035 0.000 1.103 270 A CA -0.367 51.651 52.037 -0.032 0.000 0.789 270 A CB 0.222 19.206 19.000 -0.025 0.000 1.035 270 A HN 0.754 nan 8.150 nan 0.000 0.491 271 M N 2.061 121.628 119.600 -0.056 0.000 2.228 271 M HA 0.127 4.607 4.480 0.001 0.000 0.351 271 M C 0.589 176.879 176.300 -0.016 0.000 1.233 271 M CA 0.556 55.827 55.300 -0.048 0.000 1.129 271 M CB 0.482 33.014 32.600 -0.114 0.000 1.604 271 M HN 0.626 nan 8.290 nan 0.000 0.457 272 R N 3.940 124.453 120.500 0.022 0.000 4.518 272 R HA 0.270 4.610 4.340 0.001 0.000 0.243 272 R C -0.564 175.777 176.300 0.068 0.000 1.720 272 R CA 0.024 56.150 56.100 0.043 0.000 1.526 272 R CB -0.416 29.918 30.300 0.058 0.000 1.425 272 R HN 0.626 nan 8.270 nan 0.000 0.787 273 L N 1.198 122.458 121.223 0.061 0.000 2.999 273 L HA 0.259 4.600 4.340 0.001 0.000 0.263 273 L C -1.506 175.434 176.870 0.116 0.000 1.320 273 L CA -1.210 53.692 54.840 0.104 0.000 0.913 273 L CB 0.955 43.105 42.059 0.151 0.000 1.296 273 L HN 0.091 nan 8.230 nan 0.000 0.546 274 P HA -0.127 nan 4.420 nan 0.000 0.217 274 P C 1.573 178.914 177.300 0.067 0.000 1.150 274 P CA 1.391 64.525 63.100 0.058 0.000 0.832 274 P CB 0.387 32.108 31.700 0.036 0.000 0.787 275 G N -0.742 108.103 108.800 0.075 0.000 2.414 275 G HA2 -0.294 3.667 3.960 0.001 0.000 0.215 275 G HA3 -0.294 3.667 3.960 0.001 0.000 0.215 275 G C 1.663 176.616 174.900 0.089 0.000 1.188 275 G CA 0.584 45.722 45.100 0.065 0.000 0.783 275 G HN 0.204 nan 8.290 nan 0.000 0.537 276 Y N 0.552 120.860 120.300 0.014 0.000 2.165 276 Y HA -0.067 4.484 4.550 0.000 0.000 0.286 276 Y C 2.764 178.709 175.900 0.074 0.000 1.155 276 Y CA 2.124 60.244 58.100 0.034 0.000 1.164 276 Y CB -0.080 38.410 38.460 0.049 0.000 0.978 276 Y HN 0.197 nan 8.280 nan 0.000 0.513 277 M N -0.611 119.103 119.600 0.189 0.000 2.319 277 M HA -0.138 4.342 4.480 0.001 0.000 0.265 277 M C 2.325 178.636 176.300 0.019 0.000 1.068 277 M CA 1.579 56.959 55.300 0.132 0.000 1.118 277 M CB -0.117 32.573 32.600 0.150 0.000 1.395 277 M HN 0.428 nan 8.290 nan 0.000 0.435 278 S N 0.504 116.207 115.700 0.004 0.000 2.436 278 S HA -0.103 4.367 4.470 0.001 0.000 0.228 278 S C 1.579 176.150 174.600 -0.048 0.000 1.014 278 S CA 0.566 58.757 58.200 -0.014 0.000 0.950 278 S CB -0.429 62.769 63.200 -0.003 0.000 0.784 278 S HN 0.667 nan 8.310 nan 0.000 0.504 279 R N 0.136 120.580 120.500 -0.092 0.000 2.552 279 R HA 0.423 4.763 4.340 0.001 0.000 0.314 279 R C -0.056 176.132 176.300 -0.186 0.000 1.041 279 R CA -0.305 55.723 56.100 -0.120 0.000 1.076 279 R CB -0.279 29.958 30.300 -0.105 0.000 1.290 279 R HN 0.339 nan 8.270 nan 0.000 0.563 280 M N 2.962 122.444 119.600 -0.196 0.000 2.217 280 M HA 0.215 4.695 4.480 0.001 0.000 0.352 280 M C -1.972 174.258 176.300 -0.116 0.000 1.376 280 M CA -1.447 53.735 55.300 -0.196 0.000 1.107 280 M CB 0.704 33.226 32.600 -0.129 0.000 1.723 280 M HN -0.112 nan 8.290 nan 0.000 0.461 281 P HA 0.162 nan 4.420 nan 0.000 0.268 281 P C -0.250 177.008 177.300 -0.070 0.000 1.205 281 P CA 0.092 63.134 63.100 -0.096 0.000 0.771 281 P CB 0.339 31.975 31.700 -0.107 0.000 0.858 282 K N 3.400 123.761 120.400 -0.063 0.000 2.107 282 K HA 0.442 4.762 4.320 0.001 0.000 0.251 282 K C -2.333 174.238 176.600 -0.049 0.000 1.012 282 K CA -1.526 54.734 56.287 -0.045 0.000 0.920 282 K CB -1.527 30.951 32.500 -0.035 0.000 1.033 282 K HN 0.422 nan 8.250 nan 0.000 0.478 283 P HA 0.172 nan 4.420 nan 0.000 0.266 283 P C -2.375 174.901 177.300 -0.039 0.000 1.195 283 P CA -0.778 62.301 63.100 -0.034 0.000 0.768 283 P CB 0.007 31.697 31.700 -0.016 0.000 0.838 284 P HA 0.159 nan 4.420 nan 0.000 0.276 284 P C -0.683 176.615 177.300 -0.004 0.000 1.235 284 P CA -0.247 62.822 63.100 -0.052 0.000 0.772 284 P CB 0.661 32.316 31.700 -0.076 0.000 0.871 285 E N 1.015 121.233 120.200 0.031 0.000 2.283 285 E HA 0.184 4.534 4.350 0.001 0.000 0.267 285 E C 0.462 177.110 176.600 0.080 0.000 1.045 285 E CA -0.667 55.766 56.400 0.055 0.000 0.884 285 E CB 0.358 30.094 29.700 0.060 0.000 1.106 285 E HN 0.292 nan 8.360 nan 0.000 0.408 286 D N 0.877 121.312 120.400 0.057 0.000 2.263 286 D HA -0.183 4.457 4.640 0.001 0.000 0.208 286 D C 1.470 177.802 176.300 0.054 0.000 0.971 286 D CA 1.074 55.107 54.000 0.054 0.000 0.867 286 D CB 0.083 40.906 40.800 0.038 0.000 0.929 286 D HN 0.431 nan 8.370 nan 0.000 0.492 287 S N 0.240 115.967 115.700 0.044 0.000 2.368 287 S HA -0.245 4.225 4.470 0.001 0.000 0.226 287 S C 1.876 176.458 174.600 -0.031 0.000 1.044 287 S CA 1.283 59.479 58.200 -0.007 0.000 1.062 287 S CB -0.279 62.900 63.200 -0.035 0.000 0.931 287 S HN 0.373 nan 8.310 nan 0.000 0.440 288 H N 0.425 119.503 119.070 0.013 0.000 2.363 288 H HA 0.073 4.630 4.556 0.001 0.000 0.301 288 H C 2.245 177.590 175.328 0.027 0.000 1.074 288 H CA 1.588 57.646 56.048 0.017 0.000 1.354 288 H CB -0.294 29.470 29.762 0.004 0.000 1.397 288 H HN 0.376 nan 8.280 nan 0.000 0.516 289 L N 0.388 121.700 121.223 0.147 0.000 2.109 289 L HA -0.119 4.222 4.340 0.001 0.000 0.207 289 L C 2.325 179.253 176.870 0.098 0.000 1.086 289 L CA 0.995 55.898 54.840 0.105 0.000 0.760 289 L CB -0.270 41.834 42.059 0.075 0.000 0.910 289 L HN 0.214 nan 8.230 nan 0.000 0.437 290 E N -0.323 119.922 120.200 0.074 0.000 2.204 290 E HA -0.242 4.108 4.350 0.001 0.000 0.194 290 E C 2.163 178.798 176.600 0.059 0.000 0.989 290 E CA 0.574 57.011 56.400 0.062 0.000 0.824 290 E CB 0.097 29.821 29.700 0.040 0.000 0.756 290 E HN 0.387 nan 8.360 nan 0.000 0.477 291 Q N 0.227 120.058 119.800 0.053 0.000 2.224 291 Q HA -0.147 4.193 4.340 0.001 0.000 0.203 291 Q C 1.926 177.974 176.000 0.080 0.000 0.970 291 Q CA 0.886 56.717 55.803 0.047 0.000 0.865 291 Q CB 0.135 28.885 28.738 0.020 0.000 0.922 291 Q HN 0.343 nan 8.270 nan 0.000 0.445 292 I N -0.628 120.010 120.570 0.113 0.000 2.277 292 I HA -0.215 3.956 4.170 0.001 0.000 0.243 292 I C 2.125 178.337 176.117 0.158 0.000 1.094 292 I CA 0.525 61.916 61.300 0.152 0.000 1.393 292 I CB -0.112 38.004 38.000 0.193 0.000 1.078 292 I HN 0.015 nan 8.210 nan 0.000 0.417 293 V N 1.231 121.234 119.914 0.149 0.000 2.392 293 V HA -0.294 3.826 4.120 0.001 0.000 0.249 293 V C 2.639 178.791 176.094 0.097 0.000 1.059 293 V CA 2.100 64.480 62.300 0.134 0.000 1.051 293 V CB -0.874 31.015 31.823 0.110 0.000 0.658 293 V HN 0.428 nan 8.190 nan 0.000 0.455 294 R N 0.507 121.052 120.500 0.076 0.000 2.096 294 R HA -0.167 4.173 4.340 0.001 0.000 0.240 294 R C 2.087 178.421 176.300 0.055 0.000 1.139 294 R CA 1.944 58.076 56.100 0.054 0.000 0.952 294 R CB -0.674 29.650 30.300 0.039 0.000 0.854 294 R HN 0.468 nan 8.270 nan 0.000 0.436 295 L N -0.131 121.131 121.223 0.065 0.000 2.093 295 L HA -0.082 4.259 4.340 0.001 0.000 0.208 295 L C 2.346 179.255 176.870 0.066 0.000 1.085 295 L CA 1.083 55.954 54.840 0.051 0.000 0.755 295 L CB -0.265 41.825 42.059 0.052 0.000 0.904 295 L HN 0.262 nan 8.230 nan 0.000 0.435 296 I N -0.560 120.075 120.570 0.109 0.000 2.142 296 I HA -0.309 3.861 4.170 0.001 0.000 0.240 296 I C 2.702 178.949 176.117 0.218 0.000 1.078 296 I CA 1.679 63.071 61.300 0.153 0.000 1.343 296 I CB -0.395 37.718 38.000 0.188 0.000 1.046 296 I HN 0.327 nan 8.210 nan 0.000 0.405 297 S N 0.047 115.834 115.700 0.144 0.000 2.442 297 S HA -0.168 4.302 4.470 0.001 0.000 0.236 297 S C 1.676 176.320 174.600 0.073 0.000 1.007 297 S CA 1.074 59.330 58.200 0.094 0.000 0.965 297 S CB -0.443 62.781 63.200 0.040 0.000 0.773 297 S HN 0.514 nan 8.310 nan 0.000 0.504 298 E N 1.548 121.786 120.200 0.065 0.000 2.385 298 E HA 0.077 4.428 4.350 0.001 0.000 0.194 298 E C 0.694 177.313 176.600 0.031 0.000 1.013 298 E CA 0.357 56.776 56.400 0.032 0.000 0.866 298 E CB 0.290 29.996 29.700 0.010 0.000 0.832 298 E HN 0.694 nan 8.360 nan 0.000 0.500 299 S N -0.404 115.332 115.700 0.060 0.000 2.610 299 S HA 0.452 4.922 4.470 0.001 0.000 0.273 299 S C 0.741 175.397 174.600 0.092 0.000 1.274 299 S CA -0.127 58.076 58.200 0.005 0.000 1.023 299 S CB 1.857 65.006 63.200 -0.084 0.000 0.962 299 S HN 0.085 nan 8.310 nan 0.000 0.523 300 K N 1.256 121.629 120.400 -0.045 0.000 2.365 300 K HA 0.343 4.663 4.320 0.001 0.000 0.195 300 K C 0.736 177.190 176.600 -0.244 0.000 1.079 300 K CA 0.420 56.705 56.287 -0.004 0.000 0.979 300 K CB -0.307 32.168 32.500 -0.041 0.000 0.929 300 K HN 0.761 nan 8.250 nan 0.000 0.523 301 K N 2.008 122.020 120.400 -0.647 0.000 2.762 301 K HA 0.246 4.566 4.320 0.001 0.000 0.180 301 K C -2.996 172.908 176.600 -1.160 0.000 1.067 301 K CA -1.829 53.506 56.287 -1.587 0.000 0.973 301 K CB 1.926 33.292 32.500 -1.890 0.000 1.290 301 K HN 0.202 nan 8.250 nan 0.000 0.604 302 P HA 0.249 nan 4.420 nan 0.000 0.282 302 P C -0.482 176.744 177.300 -0.124 0.000 1.249 302 P CA -0.523 62.310 63.100 -0.446 0.000 0.806 302 P CB 1.709 33.061 31.700 -0.580 0.000 0.984 303 V N 3.425 123.286 119.914 -0.088 0.000 2.760 303 V HA 0.293 4.413 4.120 0.001 0.000 0.309 303 V C 0.118 176.159 176.094 -0.089 0.000 1.077 303 V CA -0.751 61.545 62.300 -0.007 0.000 0.910 303 V CB 2.122 33.964 31.823 0.032 0.000 1.008 303 V HN 0.387 nan 8.190 nan 0.000 0.424 304 L N 4.772 125.939 121.223 -0.094 0.000 2.261 304 L HA 0.383 4.723 4.340 0.001 0.000 0.289 304 L C -0.957 175.872 176.870 -0.069 0.000 1.059 304 L CA -0.440 54.291 54.840 -0.182 0.000 0.816 304 L CB 0.504 42.456 42.059 -0.180 0.000 1.191 304 L HN 0.683 nan 8.230 nan 0.000 0.431 305 Y N 5.549 125.697 120.300 -0.253 0.000 2.504 305 Y HA 0.510 5.061 4.550 0.001 0.000 0.339 305 Y C -0.854 174.948 175.900 -0.164 0.000 0.974 305 Y CA -1.102 56.891 58.100 -0.179 0.000 1.232 305 Y CB 0.756 39.108 38.460 -0.179 0.000 1.108 305 Y HN 0.181 nan 8.280 nan 0.000 0.509 306 V N 6.218 126.114 119.914 -0.031 0.000 2.555 306 V HA 0.875 4.995 4.120 0.001 0.000 0.302 306 V C 0.326 176.381 176.094 -0.065 0.000 1.038 306 V CA -0.063 62.191 62.300 -0.077 0.000 0.887 306 V CB 1.368 33.195 31.823 0.008 0.000 0.991 306 V HN 0.933 nan 8.190 nan 0.000 0.434 307 G N 2.218 110.966 108.800 -0.088 0.000 3.166 307 G HA2 0.525 4.486 3.960 0.001 0.000 0.267 307 G HA3 0.525 4.486 3.960 0.001 0.000 0.267 307 G C 0.880 175.779 174.900 -0.003 0.000 1.256 307 G CA 0.113 45.180 45.100 -0.054 0.000 0.859 307 G HN 0.881 nan 8.290 nan 0.000 0.590 308 G N -0.406 108.396 108.800 0.004 0.000 2.535 308 G HA2 0.173 4.133 3.960 0.001 0.000 0.218 308 G HA3 0.173 4.133 3.960 0.001 0.000 0.218 308 G C 1.530 176.439 174.900 0.016 0.000 1.122 308 G CA 1.535 46.648 45.100 0.022 0.000 0.769 308 G HN 1.031 nan 8.290 nan 0.000 0.549 309 G N -0.312 108.491 108.800 0.005 0.000 2.509 309 G HA2 -0.116 3.844 3.960 0.001 0.000 0.218 309 G HA3 -0.116 3.844 3.960 0.001 0.000 0.218 309 G C 1.274 176.180 174.900 0.009 0.000 1.124 309 G CA 1.061 46.163 45.100 0.003 0.000 0.776 309 G HN 0.442 nan 8.290 nan 0.000 0.547 310 C N 0.716 120.031 119.300 0.025 0.000 2.754 310 C HA 0.371 4.831 4.460 0.001 0.000 0.276 310 C C 2.442 177.461 174.990 0.049 0.000 1.264 310 C CA -0.599 58.442 59.018 0.038 0.000 1.700 310 C CB -1.118 26.659 27.740 0.063 0.000 1.885 310 C HN 0.413 nan 8.230 nan 0.000 0.607 311 L N 1.107 122.356 121.223 0.043 0.000 2.187 311 L HA -0.158 4.183 4.340 0.001 0.000 0.213 311 L C 1.561 178.460 176.870 0.048 0.000 1.100 311 L CA 1.580 56.450 54.840 0.051 0.000 0.765 311 L CB -0.466 41.619 42.059 0.044 0.000 0.904 311 L HN 0.565 nan 8.230 nan 0.000 0.437 312 N N -1.585 117.138 118.700 0.038 0.000 2.214 312 N HA 0.051 4.791 4.740 0.001 0.000 0.214 312 N C 0.199 175.731 175.510 0.037 0.000 1.132 312 N CA -0.189 52.883 53.050 0.036 0.000 0.856 312 N CB 0.657 39.160 38.487 0.026 0.000 1.020 312 N HN 0.032 nan 8.380 nan 0.000 0.509 313 S N -0.421 115.305 115.700 0.044 0.000 2.661 313 S HA 0.048 4.519 4.470 0.001 0.000 0.245 313 S C 1.389 176.037 174.600 0.079 0.000 1.117 313 S CA -0.571 57.657 58.200 0.047 0.000 1.091 313 S CB 0.440 63.653 63.200 0.021 0.000 0.887 313 S HN 0.309 nan 8.310 nan 0.000 0.491 314 S N 1.732 117.485 115.700 0.088 0.000 2.371 314 S HA -0.145 4.325 4.470 0.001 0.000 0.224 314 S C 1.289 175.966 174.600 0.128 0.000 1.029 314 S CA 1.055 59.324 58.200 0.116 0.000 0.978 314 S CB -0.318 62.944 63.200 0.103 0.000 0.833 314 S HN 0.333 nan 8.310 nan 0.000 0.466 315 D N 1.797 122.258 120.400 0.101 0.000 2.092 315 D HA -0.067 4.573 4.640 0.001 0.000 0.193 315 D C 2.068 178.441 176.300 0.122 0.000 0.994 315 D CA 1.613 55.674 54.000 0.102 0.000 0.828 315 D CB -0.526 40.321 40.800 0.078 0.000 0.963 315 D HN 0.506 nan 8.370 nan 0.000 0.450 316 E N 0.280 120.545 120.200 0.108 0.000 2.077 316 E HA -0.129 4.222 4.350 0.001 0.000 0.193 316 E C 1.981 178.685 176.600 0.174 0.000 0.989 316 E CA 0.305 56.774 56.400 0.116 0.000 0.800 316 E CB -0.287 29.453 29.700 0.067 0.000 0.746 316 E HN 0.141 nan 8.360 nan 0.000 0.452 317 L N 0.112 121.437 121.223 0.170 0.000 2.093 317 L HA 0.037 4.377 4.340 0.001 0.000 0.208 317 L C 2.033 179.084 176.870 0.301 0.000 1.085 317 L CA 2.033 57.006 54.840 0.221 0.000 0.755 317 L CB -0.865 41.307 42.059 0.188 0.000 0.904 317 L HN 0.175 nan 8.230 nan 0.000 0.435 318 G N -0.677 108.296 108.800 0.289 0.000 2.459 318 G HA2 -0.381 3.580 3.960 0.001 0.000 0.217 318 G HA3 -0.381 3.580 3.960 0.001 0.000 0.217 318 G C 1.748 176.802 174.900 0.257 0.000 1.183 318 G CA 0.924 46.214 45.100 0.316 0.000 0.776 318 G HN 0.369 nan 8.290 nan 0.000 0.552 319 R N -0.239 120.386 120.500 0.207 0.000 2.096 319 R HA -0.037 4.303 4.340 0.001 0.000 0.235 319 R C 2.195 178.606 176.300 0.185 0.000 1.127 319 R CA 1.383 57.584 56.100 0.168 0.000 0.968 319 R CB -0.817 29.568 30.300 0.141 0.000 0.861 319 R HN 0.361 nan 8.270 nan 0.000 0.440 320 F N -0.284 119.727 119.950 0.100 0.000 2.134 320 F HA -0.175 4.352 4.527 0.001 0.000 0.299 320 F C 1.802 177.654 175.800 0.086 0.000 1.097 320 F CA 1.572 59.632 58.000 0.100 0.000 1.264 320 F CB -0.236 38.839 39.000 0.125 0.000 1.001 320 F HN -0.136 nan 8.300 nan 0.000 0.479 321 V N 1.392 121.428 119.914 0.203 0.000 2.307 321 V HA -0.299 3.821 4.120 0.001 0.000 0.245 321 V C 2.284 178.399 176.094 0.035 0.000 1.045 321 V CA 2.174 64.513 62.300 0.064 0.000 1.024 321 V CB -1.026 30.783 31.823 -0.024 0.000 0.651 321 V HN 0.543 nan 8.190 nan 0.000 0.449 322 E N 0.199 120.450 120.200 0.085 0.000 2.409 322 E HA -0.144 4.206 4.350 0.001 0.000 0.198 322 E C 1.816 178.426 176.600 0.016 0.000 1.024 322 E CA 1.087 57.527 56.400 0.067 0.000 0.861 322 E CB -0.224 29.530 29.700 0.090 0.000 0.788 322 E HN 0.574 nan 8.360 nan 0.000 0.521 323 L N 0.713 121.913 121.223 -0.038 0.000 2.590 323 L HA 0.122 4.463 4.340 0.001 0.000 0.227 323 L C 1.966 178.768 176.870 -0.113 0.000 1.099 323 L CA 0.994 55.788 54.840 -0.076 0.000 0.872 323 L CB 0.427 42.431 42.059 -0.092 0.000 1.088 323 L HN 0.328 nan 8.230 nan 0.000 0.479 324 T N -6.004 108.472 114.554 -0.129 0.000 3.028 324 T HA 0.225 4.575 4.350 0.001 0.000 0.250 324 T C 1.432 176.228 174.700 0.160 0.000 0.979 324 T CA 0.582 62.659 62.100 -0.038 0.000 1.004 324 T CB 0.636 69.372 68.868 -0.219 0.000 1.120 324 T HN 0.145 nan 8.240 nan 0.000 0.482 325 G N 2.096 110.953 108.800 0.096 0.000 2.198 325 G HA2 -0.185 3.775 3.960 0.001 0.000 0.257 325 G HA3 -0.185 3.775 3.960 0.001 0.000 0.257 325 G C -0.078 174.932 174.900 0.184 0.000 1.042 325 G CA 0.155 45.348 45.100 0.155 0.000 0.791 325 G HN 0.733 nan 8.290 nan 0.000 0.502 326 I N 2.285 122.899 120.570 0.074 0.000 2.371 326 I HA 0.280 4.451 4.170 0.001 0.000 0.290 326 I C -1.234 174.861 176.117 -0.036 0.000 1.028 326 I CA -2.324 58.964 61.300 -0.020 0.000 1.345 326 I CB 1.114 39.079 38.000 -0.058 0.000 1.407 326 I HN -0.043 nan 8.210 nan 0.000 0.501 327 P HA 0.062 nan 4.420 nan 0.000 0.269 327 P C -0.772 176.483 177.300 -0.076 0.000 1.215 327 P CA -0.107 62.964 63.100 -0.049 0.000 0.780 327 P CB 1.009 32.685 31.700 -0.039 0.000 0.898 328 V N 1.572 121.427 119.914 -0.099 0.000 2.349 328 V HA 0.493 4.613 4.120 0.001 0.000 0.284 328 V C 0.569 176.666 176.094 0.005 0.000 1.014 328 V CA -0.807 61.439 62.300 -0.090 0.000 0.826 328 V CB 0.773 32.466 31.823 -0.216 0.000 1.009 328 V HN 0.742 nan 8.190 nan 0.000 0.431 329 A N 4.040 126.872 122.820 0.020 0.000 2.302 329 A HA 0.899 5.219 4.320 0.001 0.000 0.285 329 A C 0.268 177.908 177.584 0.093 0.000 1.105 329 A CA -0.279 51.787 52.037 0.047 0.000 0.816 329 A CB 0.786 19.799 19.000 0.021 0.000 1.067 329 A HN 0.736 nan 8.150 nan 0.000 0.489 330 T N 0.700 115.313 114.554 0.099 0.000 2.909 330 T HA 0.590 4.941 4.350 0.001 0.000 0.299 330 T C 0.176 174.940 174.700 0.107 0.000 1.073 330 T CA -0.127 62.038 62.100 0.108 0.000 0.999 330 T CB 1.465 70.388 68.868 0.091 0.000 1.098 330 T HN 0.998 nan 8.240 nan 0.000 0.477 331 T N -0.061 114.562 114.554 0.115 0.000 2.849 331 T HA 0.388 4.738 4.350 0.001 0.000 0.284 331 T C 1.454 176.188 174.700 0.057 0.000 1.004 331 T CA -0.833 61.326 62.100 0.099 0.000 1.021 331 T CB 0.564 69.489 68.868 0.093 0.000 1.013 331 T HN 0.508 nan 8.240 nan 0.000 0.527 332 L N 0.752 122.012 121.223 0.063 0.000 2.079 332 L HA -0.088 4.253 4.340 0.001 0.000 0.210 332 L C 2.381 179.373 176.870 0.203 0.000 1.081 332 L CA 1.528 56.422 54.840 0.089 0.000 0.752 332 L CB -0.356 41.789 42.059 0.144 0.000 0.896 332 L HN 0.637 nan 8.230 nan 0.000 0.433 333 M N -1.098 118.595 119.600 0.155 0.000 2.476 333 M HA 0.018 4.498 4.480 0.001 0.000 0.262 333 M C 1.885 178.267 176.300 0.136 0.000 1.079 333 M CA 1.159 56.551 55.300 0.153 0.000 1.104 333 M CB -1.367 31.270 32.600 0.062 0.000 1.409 333 M HN 0.375 nan 8.290 nan 0.000 0.467 334 G N -0.355 108.500 108.800 0.091 0.000 3.126 334 G HA2 0.280 4.241 3.960 0.001 0.000 0.224 334 G HA3 0.280 4.241 3.960 0.001 0.000 0.224 334 G C 0.587 175.526 174.900 0.065 0.000 1.142 334 G CA -0.383 44.760 45.100 0.072 0.000 0.759 334 G HN 0.280 nan 8.290 nan 0.000 0.550 335 L N 0.675 121.900 121.223 0.004 0.000 2.578 335 L HA 0.264 4.604 4.340 0.001 0.000 0.279 335 L C 1.680 178.565 176.870 0.026 0.000 1.227 335 L CA 1.280 56.077 54.840 -0.071 0.000 0.900 335 L CB 0.377 42.159 42.059 -0.463 0.000 1.144 335 L HN 0.350 nan 8.230 nan 0.000 0.496 336 G N 1.517 110.389 108.800 0.121 0.000 2.234 336 G HA2 -0.325 3.635 3.960 0.001 0.000 0.235 336 G HA3 -0.325 3.635 3.960 0.001 0.000 0.235 336 G C 1.064 176.050 174.900 0.143 0.000 0.997 336 G CA 0.436 45.636 45.100 0.167 0.000 0.623 336 G HN 0.607 nan 8.290 nan 0.000 0.514 337 S N -0.818 114.967 115.700 0.140 0.000 2.359 337 S HA -0.030 4.440 4.470 0.001 0.000 0.223 337 S C 0.873 175.604 174.600 0.218 0.000 1.039 337 S CA 1.571 59.863 58.200 0.154 0.000 1.042 337 S CB -0.092 63.192 63.200 0.140 0.000 0.915 337 S HN 0.758 nan 8.310 nan 0.000 0.439 338 Y N 2.592 122.946 120.300 0.090 0.000 2.335 338 Y HA 0.448 4.998 4.550 0.001 0.000 0.338 338 Y C -2.593 173.366 175.900 0.098 0.000 0.977 338 Y CA -3.244 54.910 58.100 0.091 0.000 1.114 338 Y CB 0.628 39.137 38.460 0.083 0.000 1.182 338 Y HN 0.020 nan 8.280 nan 0.000 0.463 342 D N 0.538 120.927 120.400 -0.018 0.000 2.433 342 D HA 0.146 4.786 4.640 0.001 0.000 0.236 342 D C 0.728 177.046 176.300 0.029 0.000 1.026 342 D CA -0.357 53.627 54.000 -0.026 0.000 0.884 342 D CB 2.724 43.439 40.800 -0.143 0.000 1.384 342 D HN 0.048 nan 8.370 nan 0.000 0.477 343 E N 1.871 122.095 120.200 0.040 0.000 2.085 343 E HA -0.173 4.177 4.350 0.001 0.000 0.194 343 E C 1.562 178.186 176.600 0.040 0.000 0.994 343 E CA 1.075 57.492 56.400 0.028 0.000 0.801 343 E CB 0.163 29.879 29.700 0.028 0.000 0.743 343 E HN 0.472 nan 8.360 nan 0.000 0.453 344 L N 0.659 121.958 121.223 0.127 0.000 2.599 344 L HA 0.044 4.384 4.340 0.001 0.000 0.230 344 L C 1.047 177.996 176.870 0.133 0.000 1.141 344 L CA -0.140 54.778 54.840 0.130 0.000 0.877 344 L CB 0.311 42.473 42.059 0.171 0.000 1.009 344 L HN -0.068 nan 8.230 nan 0.000 0.447 345 S N -0.126 115.666 115.700 0.154 0.000 2.499 345 S HA 0.258 4.729 4.470 0.001 0.000 0.275 345 S C 0.882 175.379 174.600 -0.171 0.000 1.257 345 S CA -0.528 57.708 58.200 0.060 0.000 1.050 345 S CB 0.663 63.875 63.200 0.021 0.000 0.937 345 S HN 0.225 nan 8.310 nan 0.000 0.490 346 L N 4.619 125.805 121.223 -0.061 0.000 2.592 346 L HA 0.267 4.607 4.340 0.001 0.000 0.227 346 L C 0.702 177.593 176.870 0.035 0.000 1.127 346 L CA -0.003 54.869 54.840 0.054 0.000 0.884 346 L CB -0.856 41.248 42.059 0.074 0.000 1.065 346 L HN 0.919 nan 8.230 nan 0.000 0.457 347 H N -2.370 116.784 119.070 0.140 0.000 1.452 347 H HA -0.288 4.268 4.556 0.001 0.000 0.090 347 H C 0.285 175.612 175.328 -0.002 0.000 2.770 347 H CA 0.897 56.980 56.048 0.058 0.000 1.901 347 H CB -0.755 29.028 29.762 0.035 0.000 2.257 347 H HN 0.112 nan 8.280 nan 0.000 0.961 348 M N 2.183 121.846 119.600 0.105 0.000 2.249 348 M HA 0.438 4.918 4.480 0.001 0.000 0.351 348 M C -0.258 176.035 176.300 -0.012 0.000 1.180 348 M CA -0.505 54.811 55.300 0.027 0.000 1.127 348 M CB 0.481 33.075 32.600 -0.009 0.000 1.546 348 M HN 0.437 nan 8.290 nan 0.000 0.461 349 L N 2.679 123.903 121.223 0.000 0.000 2.335 349 L HA 1.099 5.439 4.340 0.001 0.000 0.268 349 L C -0.042 176.824 176.870 -0.005 0.000 1.016 349 L CA -0.144 54.684 54.840 -0.020 0.000 0.805 349 L CB 1.535 43.567 42.059 -0.044 0.000 1.311 349 L HN 0.834 nan 8.230 nan 0.000 0.456 350 G N -0.068 108.729 108.800 -0.005 0.000 2.396 350 G HA2 -0.204 3.756 3.960 0.001 0.000 0.254 350 G HA3 -0.204 3.756 3.960 0.001 0.000 0.254 350 G C 0.018 174.908 174.900 -0.017 0.000 1.248 350 G CA 0.018 45.110 45.100 -0.013 0.000 1.033 350 G HN 0.958 nan 8.290 nan 0.000 0.502 351 M N -0.711 118.851 119.600 -0.065 0.000 2.073 351 M HA -0.095 4.386 4.480 0.001 0.000 0.258 351 M C 1.512 177.678 176.300 -0.222 0.000 1.070 351 M CA 2.117 57.315 55.300 -0.171 0.000 1.103 351 M CB -0.237 32.205 32.600 -0.263 0.000 1.321 351 M HN 0.570 nan 8.290 nan 0.000 0.405 352 H N -0.349 118.745 119.070 0.039 0.000 2.488 352 H HA 0.342 4.899 4.556 0.001 0.000 0.294 352 H C 0.364 175.697 175.328 0.010 0.000 1.088 352 H CA 0.193 56.260 56.048 0.032 0.000 1.086 352 H CB -0.782 28.994 29.762 0.023 0.000 1.569 352 H HN 0.363 nan 8.280 nan 0.000 0.548 353 G N 0.832 109.675 108.800 0.071 0.000 2.537 353 G HA2 0.218 4.179 3.960 0.001 0.000 0.273 353 G HA3 0.218 4.179 3.960 0.001 0.000 0.273 353 G C 0.349 175.234 174.900 -0.025 0.000 1.189 353 G CA -0.392 44.715 45.100 0.012 0.000 0.881 353 G HN 0.263 nan 8.290 nan 0.000 0.535 354 T N -1.669 112.803 114.554 -0.137 0.000 2.926 354 T HA 0.110 4.460 4.350 0.001 0.000 0.307 354 T C 1.532 176.097 174.700 -0.225 0.000 1.059 354 T CA -0.292 61.637 62.100 -0.285 0.000 1.122 354 T CB 1.333 69.737 68.868 -0.773 0.000 0.972 354 T HN 0.191 nan 8.240 nan 0.000 0.545 355 V N 2.942 122.802 119.914 -0.089 0.000 2.343 355 V HA -0.171 3.949 4.120 0.001 0.000 0.247 355 V C 2.229 178.439 176.094 0.193 0.000 1.051 355 V CA 2.174 64.535 62.300 0.102 0.000 1.036 355 V CB -1.365 30.477 31.823 0.033 0.000 0.654 355 V HN 1.054 nan 8.190 nan 0.000 0.451 356 Y N 0.762 121.169 120.300 0.178 0.000 2.224 356 Y HA 0.029 4.580 4.550 0.001 0.000 0.289 356 Y C 2.424 178.388 175.900 0.107 0.000 1.146 356 Y CA 1.032 59.208 58.100 0.127 0.000 1.182 356 Y CB -1.260 37.236 38.460 0.060 0.000 0.983 356 Y HN 0.083 nan 8.280 nan 0.000 0.524 357 A N 1.588 124.319 122.820 -0.149 0.000 1.877 357 A HA -0.203 4.117 4.320 0.001 0.000 0.216 357 A C 2.024 179.576 177.584 -0.053 0.000 1.186 357 A CA 1.863 53.855 52.037 -0.075 0.000 0.620 357 A CB -0.813 18.104 19.000 -0.138 0.000 0.822 357 A HN 0.534 nan 8.150 nan 0.000 0.443 358 N N -1.546 117.131 118.700 -0.037 0.000 2.244 358 N HA -0.147 4.593 4.740 0.001 0.000 0.183 358 N C 1.505 176.761 175.510 -0.423 0.000 1.016 358 N CA 1.501 54.502 53.050 -0.082 0.000 0.866 358 N CB -0.562 38.028 38.487 0.171 0.000 0.980 358 N HN 0.701 nan 8.380 nan 0.000 0.430 359 Y N 1.708 121.715 120.300 -0.489 0.000 2.133 359 Y HA -0.133 4.417 4.550 0.000 0.000 0.287 359 Y C 2.350 178.118 175.900 -0.219 0.000 1.134 359 Y CA 1.843 59.580 58.100 -0.605 0.000 1.133 359 Y CB -0.526 37.867 38.460 -0.112 0.000 0.987 359 Y HN 0.060 nan 8.280 nan 0.000 0.502 360 A N -0.276 122.587 122.820 0.072 0.000 1.884 360 A HA -0.252 4.068 4.320 0.001 0.000 0.219 360 A C 2.329 179.955 177.584 0.070 0.000 1.197 360 A CA 2.610 54.739 52.037 0.154 0.000 0.637 360 A CB -1.491 17.570 19.000 0.102 0.000 0.827 360 A HN 0.380 nan 8.150 nan 0.000 0.450 361 V N -0.187 119.637 119.914 -0.150 0.000 2.358 361 V HA -0.226 3.894 4.120 0.001 0.000 0.246 361 V C 2.575 178.391 176.094 -0.462 0.000 1.047 361 V CA 2.407 64.516 62.300 -0.317 0.000 1.035 361 V CB -0.720 30.858 31.823 -0.408 0.000 0.658 361 V HN 0.746 nan 8.190 nan 0.000 0.452 362 E N -0.085 119.776 120.200 -0.564 0.000 2.118 362 E HA -0.217 4.133 4.350 0.001 0.000 0.195 362 E C 1.902 178.059 176.600 -0.739 0.000 0.992 362 E CA 1.551 57.515 56.400 -0.726 0.000 0.804 362 E CB -0.130 28.938 29.700 -1.054 0.000 0.741 362 E HN 0.721 nan 8.360 nan 0.000 0.458 363 H N -0.650 118.178 119.070 -0.402 0.000 2.594 363 H HA 0.248 4.804 4.556 0.001 0.000 0.279 363 H C 0.111 175.247 175.328 -0.320 0.000 1.042 363 H CA 0.552 56.411 56.048 -0.315 0.000 1.177 363 H CB 0.078 29.625 29.762 -0.358 0.000 1.524 363 H HN 0.099 nan 8.280 nan 0.000 0.537 364 S N 1.394 116.951 115.700 -0.239 0.000 2.585 364 S HA 0.015 4.485 4.470 0.001 0.000 0.273 364 S C 0.939 175.325 174.600 -0.358 0.000 1.339 364 S CA -0.277 57.690 58.200 -0.388 0.000 1.028 364 S CB 1.391 64.446 63.200 -0.242 0.000 0.906 364 S HN 0.335 nan 8.310 nan 0.000 0.528 365 D N 0.091 120.246 120.400 -0.410 0.000 2.389 365 D HA 0.192 4.832 4.640 0.001 0.000 0.206 365 D C -0.014 176.144 176.300 -0.237 0.000 1.055 365 D CA -0.154 53.673 54.000 -0.290 0.000 0.856 365 D CB -0.142 40.491 40.800 -0.279 0.000 0.957 365 D HN 0.398 nan 8.370 nan 0.000 0.509 366 L N 0.652 121.728 121.223 -0.246 0.000 2.491 366 L HA 0.432 4.772 4.340 0.001 0.000 0.267 366 L C -1.961 174.828 176.870 -0.136 0.000 0.971 366 L CA -0.969 53.772 54.840 -0.165 0.000 0.857 366 L CB 1.930 43.899 42.059 -0.150 0.000 1.226 366 L HN -0.044 nan 8.230 nan 0.000 0.408 367 L N 5.866 127.048 121.223 -0.069 0.000 2.257 367 L HA 0.516 4.856 4.340 0.001 0.000 0.290 367 L C -1.000 175.868 176.870 -0.004 0.000 1.044 367 L CA 0.002 54.821 54.840 -0.036 0.000 0.810 367 L CB 1.025 43.090 42.059 0.010 0.000 1.193 367 L HN 0.578 nan 8.230 nan 0.000 0.425 368 L N 6.399 127.541 121.223 -0.134 0.000 2.352 368 L HA 0.471 4.811 4.340 0.001 0.000 0.272 368 L C 0.393 176.941 176.870 -0.535 0.000 1.109 368 L CA -0.421 54.197 54.840 -0.370 0.000 0.952 368 L CB 0.666 42.344 42.059 -0.635 0.000 1.314 368 L HN 0.768 nan 8.230 nan 0.000 0.427 369 A N 4.002 126.758 122.820 -0.106 0.000 2.666 369 A HA 0.539 4.860 4.320 0.001 0.000 0.312 369 A C -0.624 177.074 177.584 0.191 0.000 1.471 369 A CA -0.214 51.769 52.037 -0.090 0.000 1.134 369 A CB -0.399 18.601 19.000 0.000 0.000 1.129 369 A HN 0.398 nan 8.150 nan 0.000 0.539 370 F N 1.438 121.306 119.950 -0.136 0.000 2.332 370 F HA 0.528 5.055 4.527 0.001 0.000 0.368 370 F C 1.237 176.957 175.800 -0.132 0.000 1.110 370 F CA -0.696 57.242 58.000 -0.103 0.000 1.087 370 F CB 0.891 39.806 39.000 -0.141 0.000 1.235 370 F HN 0.832 nan 8.300 nan 0.000 0.470 371 G N 2.145 111.010 108.800 0.109 0.000 2.256 371 G HA2 -0.010 3.950 3.960 0.001 0.000 0.272 371 G HA3 -0.010 3.950 3.960 0.001 0.000 0.272 371 G C -0.455 174.416 174.900 -0.048 0.000 1.076 371 G CA 0.163 45.278 45.100 0.024 0.000 0.882 371 G HN 0.990 nan 8.290 nan 0.000 0.497 372 V N -3.658 116.204 119.914 -0.087 0.000 3.155 372 V HA 0.980 5.101 4.120 0.001 0.000 0.313 372 V C 0.612 176.700 176.094 -0.009 0.000 1.162 372 V CA -0.605 61.546 62.300 -0.249 0.000 1.048 372 V CB 1.930 33.195 31.823 -0.931 0.000 1.092 372 V HN 0.778 nan 8.190 nan 0.000 0.447 373 R N -0.063 120.432 120.500 -0.008 0.000 2.642 373 R HA 0.418 4.759 4.340 0.001 0.000 0.435 373 R C -0.673 175.768 176.300 0.235 0.000 1.046 373 R CA -0.386 55.814 56.100 0.167 0.000 1.103 373 R CB -0.352 30.011 30.300 0.105 0.000 1.425 373 R HN 0.629 nan 8.270 nan 0.000 0.586 374 F N 2.141 122.083 119.950 -0.012 0.000 2.925 374 F HA -0.287 4.240 4.527 0.000 0.000 0.239 374 F C 0.321 176.060 175.800 -0.103 0.000 1.009 374 F CA 1.394 59.368 58.000 -0.044 0.000 0.847 374 F CB -1.602 37.339 39.000 -0.098 0.000 0.719 374 F HN 0.479 nan 8.300 nan 0.000 0.826 375 D N 1.115 121.535 120.400 0.033 0.000 2.382 375 D HA 0.044 4.684 4.640 0.001 0.000 0.240 375 D C 1.476 177.737 176.300 -0.064 0.000 1.146 375 D CA 0.344 54.341 54.000 -0.005 0.000 0.897 375 D CB 0.678 41.477 40.800 -0.002 0.000 1.197 375 D HN 0.361 nan 8.370 nan 0.000 0.432 376 D N 2.693 123.061 120.400 -0.052 0.000 2.221 376 D HA -0.247 4.394 4.640 0.001 0.000 0.204 376 D C 1.474 177.731 176.300 -0.071 0.000 0.982 376 D CA 0.594 54.554 54.000 -0.066 0.000 0.857 376 D CB 0.012 40.788 40.800 -0.040 0.000 0.934 376 D HN 0.220 nan 8.370 nan 0.000 0.475 377 R N 0.402 120.868 120.500 -0.056 0.000 2.152 377 R HA -0.034 4.306 4.340 0.001 0.000 0.232 377 R C 2.293 178.553 176.300 -0.067 0.000 1.117 377 R CA 0.852 56.924 56.100 -0.047 0.000 0.981 377 R CB -0.726 29.559 30.300 -0.025 0.000 0.870 377 R HN 0.379 nan 8.270 nan 0.000 0.451 378 V N -0.732 119.117 119.914 -0.109 0.000 3.085 378 V HA -0.005 4.115 4.120 0.001 0.000 0.245 378 V C 1.729 177.662 176.094 -0.268 0.000 1.114 378 V CA 1.666 63.876 62.300 -0.150 0.000 1.108 378 V CB 0.064 31.803 31.823 -0.140 0.000 0.798 378 V HN 0.473 nan 8.190 nan 0.000 0.471 379 T N -1.975 112.317 114.554 -0.435 0.000 2.851 379 T HA 0.334 4.684 4.350 0.001 0.000 0.262 379 T C 1.687 176.297 174.700 -0.151 0.000 1.043 379 T CA 1.429 63.133 62.100 -0.659 0.000 1.140 379 T CB -0.583 67.865 68.868 -0.700 0.000 0.872 379 T HN 1.671 nan 8.240 nan 0.000 0.446 380 G N 2.174 110.918 108.800 -0.095 0.000 2.547 380 G HA2 -0.292 3.668 3.960 0.001 0.000 0.271 380 G HA3 -0.292 3.668 3.960 0.001 0.000 0.271 380 G C -0.235 174.660 174.900 -0.010 0.000 1.209 380 G CA 0.039 45.127 45.100 -0.020 0.000 0.959 380 G HN 0.714 nan 8.290 nan 0.000 0.563 381 K N 1.031 121.444 120.400 0.022 0.000 2.436 381 K HA 0.214 4.534 4.320 0.001 0.000 0.282 381 K C 1.830 178.461 176.600 0.052 0.000 1.044 381 K CA 0.124 56.427 56.287 0.027 0.000 1.028 381 K CB 0.307 32.825 32.500 0.030 0.000 0.919 381 K HN 0.447 nan 8.250 nan 0.000 0.474 382 L N 3.942 125.186 121.223 0.035 0.000 2.046 382 L HA -0.212 4.128 4.340 0.001 0.000 0.208 382 L C 1.698 178.628 176.870 0.099 0.000 1.077 382 L CA 1.508 56.382 54.840 0.057 0.000 0.747 382 L CB -0.110 41.959 42.059 0.016 0.000 0.896 382 L HN 0.649 nan 8.230 nan 0.000 0.432 383 E N -0.085 120.150 120.200 0.059 0.000 2.265 383 E HA -0.151 4.199 4.350 0.001 0.000 0.196 383 E C 1.941 178.573 176.600 0.054 0.000 0.996 383 E CA 1.056 57.485 56.400 0.048 0.000 0.832 383 E CB -0.162 29.553 29.700 0.024 0.000 0.756 383 E HN 0.466 nan 8.360 nan 0.000 0.491 384 A N 0.244 123.107 122.820 0.071 0.000 2.147 384 A HA 0.101 4.421 4.320 0.001 0.000 0.211 384 A C 0.479 178.097 177.584 0.057 0.000 1.160 384 A CA -0.395 51.672 52.037 0.049 0.000 0.781 384 A CB -0.189 18.841 19.000 0.050 0.000 0.842 384 A HN 0.265 nan 8.150 nan 0.000 0.475 385 F N 1.573 121.502 119.950 -0.035 0.000 2.502 385 F HA 0.403 4.930 4.527 0.001 0.000 0.371 385 F C 1.055 176.824 175.800 -0.051 0.000 1.083 385 F CA -0.314 57.655 58.000 -0.051 0.000 1.174 385 F CB 0.151 39.140 39.000 -0.019 0.000 1.096 385 F HN 0.445 nan 8.300 nan 0.000 0.545 386 A N 3.979 126.390 122.820 -0.681 0.000 2.415 386 A HA -0.272 4.048 4.320 0.001 0.000 0.292 386 A C 1.546 178.999 177.584 -0.219 0.000 1.452 386 A CA 1.028 52.752 52.037 -0.521 0.000 0.750 386 A CB -2.188 16.422 19.000 -0.650 0.000 1.099 386 A HN 1.365 nan 8.150 nan 0.000 0.391 387 S N -1.231 114.371 115.700 -0.163 0.000 2.489 387 S HA 0.169 4.639 4.470 0.001 0.000 0.228 387 S C 1.554 176.116 174.600 -0.065 0.000 0.995 387 S CA 1.260 59.417 58.200 -0.072 0.000 0.934 387 S CB -0.149 63.019 63.200 -0.054 0.000 0.771 387 S HN 1.912 nan 8.310 nan 0.000 0.522 388 R N 0.502 120.934 120.500 -0.113 0.000 2.432 388 R HA 0.787 5.127 4.340 0.001 0.000 0.260 388 R C 0.600 176.826 176.300 -0.123 0.000 0.935 388 R CA 0.324 56.363 56.100 -0.102 0.000 1.080 388 R CB -0.777 29.455 30.300 -0.113 0.000 1.155 388 R HN 0.689 nan 8.270 nan 0.000 0.531 389 A N 0.640 123.391 122.820 -0.114 0.000 2.312 389 A HA 0.685 5.005 4.320 0.001 0.000 0.326 389 A C -0.514 177.028 177.584 -0.070 0.000 1.172 389 A CA -0.676 51.288 52.037 -0.123 0.000 0.821 389 A CB 0.849 nan 19.000 nan 0.000 1.166 389 A HN 0.264 nan 8.150 nan 0.000 0.493 390 K N 1.830 122.133 120.400 -0.162 0.000 2.284 390 K HA 0.477 4.798 4.320 0.001 0.000 0.287 390 K C -1.006 175.607 176.600 0.021 0.000 1.081 390 K CA 0.268 56.390 56.287 -0.274 0.000 0.910 390 K CB 0.077 32.397 32.500 -0.301 0.000 1.088 390 K HN 0.575 nan 8.250 nan 0.000 0.478 391 I N 4.468 125.228 120.570 0.317 0.000 2.315 391 I HA 0.201 4.372 4.170 0.001 0.000 0.291 391 I C -0.599 175.685 176.117 0.278 0.000 1.006 391 I CA -0.943 60.529 61.300 0.287 0.000 1.265 391 I CB 1.442 39.625 38.000 0.304 0.000 1.387 391 I HN 0.165 nan 8.210 nan 0.000 0.475 392 V N 6.397 126.464 119.914 0.253 0.000 2.370 392 V HA 0.291 4.411 4.120 0.001 0.000 0.283 392 V C -0.317 176.021 176.094 0.407 0.000 1.023 392 V CA -0.528 61.948 62.300 0.293 0.000 0.857 392 V CB 1.294 33.282 31.823 0.275 0.000 0.985 392 V HN 0.667 nan 8.190 nan 0.000 0.443 393 H N 5.616 124.839 119.070 0.254 0.000 2.800 393 H HA 0.571 5.127 4.556 0.001 0.000 0.322 393 H C -1.176 174.256 175.328 0.172 0.000 0.979 393 H CA -0.841 55.368 56.048 0.268 0.000 1.277 393 H CB 1.281 31.198 29.762 0.259 0.000 1.484 393 H HN 0.570 nan 8.280 nan 0.000 0.512 394 I N 5.376 126.075 120.570 0.215 0.000 2.330 394 I HA 0.214 4.384 4.170 0.001 0.000 0.289 394 I C -0.426 175.612 176.117 -0.132 0.000 1.001 394 I CA -0.229 61.029 61.300 -0.069 0.000 1.193 394 I CB 1.372 39.241 38.000 -0.218 0.000 1.345 394 I HN 0.554 nan 8.210 nan 0.000 0.461 395 D N 5.223 125.474 120.400 -0.248 0.000 2.756 395 D HA 0.279 4.920 4.640 0.001 0.000 0.226 395 D C 0.167 176.375 176.300 -0.154 0.000 1.186 395 D CA -0.500 53.382 54.000 -0.196 0.000 0.845 395 D CB 3.050 43.678 40.800 -0.287 0.000 1.610 395 D HN 0.485 nan 8.370 nan 0.000 0.465 396 I N 1.124 121.631 120.570 -0.104 0.000 3.251 396 I HA -0.046 4.125 4.170 0.001 0.000 0.277 396 I C 0.018 176.081 176.117 -0.088 0.000 1.268 396 I CA 0.595 61.838 61.300 -0.095 0.000 1.449 396 I CB 0.324 38.281 38.000 -0.073 0.000 1.083 396 I HN 0.162 nan 8.210 nan 0.000 0.464 397 D N -0.610 119.744 120.400 -0.077 0.000 2.381 397 D HA 0.125 4.766 4.640 0.001 0.000 0.235 397 D C 1.154 177.411 176.300 -0.073 0.000 1.068 397 D CA -0.008 53.956 54.000 -0.060 0.000 0.832 397 D CB 1.611 42.397 40.800 -0.024 0.000 1.101 397 D HN 0.160 nan 8.370 nan 0.000 0.515 398 S N 2.672 118.328 115.700 -0.074 0.000 2.423 398 S HA -0.144 4.327 4.470 0.001 0.000 0.231 398 S C 1.929 176.501 174.600 -0.046 0.000 1.014 398 S CA 0.802 58.959 58.200 -0.072 0.000 0.965 398 S CB -0.142 63.017 63.200 -0.068 0.000 0.785 398 S HN 0.429 nan 8.310 nan 0.000 0.495 399 A N 1.356 124.158 122.820 -0.029 0.000 2.121 399 A HA -0.005 4.316 4.320 0.001 0.000 0.218 399 A C 2.166 179.753 177.584 0.004 0.000 1.154 399 A CA 1.141 53.171 52.037 -0.012 0.000 0.679 399 A CB -0.328 18.668 19.000 -0.006 0.000 0.795 399 A HN 0.468 nan 8.150 nan 0.000 0.458 400 E N -0.384 119.824 120.200 0.013 0.000 2.250 400 E HA 0.108 4.459 4.350 0.001 0.000 0.192 400 E C 0.210 176.878 176.600 0.113 0.000 0.986 400 E CA 0.106 56.549 56.400 0.072 0.000 0.849 400 E CB -0.071 29.689 29.700 0.101 0.000 0.797 400 E HN 0.656 nan 8.360 nan 0.000 0.482 401 I N 1.244 121.823 120.570 0.015 0.000 2.494 401 I HA 0.067 4.238 4.170 0.001 0.000 0.289 401 I C 1.190 177.317 176.117 0.017 0.000 1.106 401 I CA 0.580 61.888 61.300 0.014 0.000 1.369 401 I CB 0.335 38.273 38.000 -0.103 0.000 1.410 401 I HN 0.166 nan 8.210 nan 0.000 0.523 402 G N 4.750 113.556 108.800 0.011 0.000 2.136 402 G HA2 -0.313 3.647 3.960 0.001 0.000 0.242 402 G HA3 -0.313 3.647 3.960 0.001 0.000 0.242 402 G C 1.018 175.880 174.900 -0.064 0.000 0.989 402 G CA 0.492 45.556 45.100 -0.060 0.000 0.682 402 G HN 0.706 nan 8.290 nan 0.000 0.522 403 K N -0.462 119.911 120.400 -0.045 0.000 2.007 403 K HA -0.003 4.317 4.320 0.001 0.000 0.206 403 K C 2.173 178.738 176.600 -0.058 0.000 1.047 403 K CA 1.465 57.732 56.287 -0.032 0.000 0.937 403 K CB -0.141 32.363 32.500 0.006 0.000 0.718 403 K HN 0.348 nan 8.250 nan 0.000 0.438 404 N N -0.141 118.501 118.700 -0.098 0.000 2.607 404 N HA 0.035 4.775 4.740 0.001 0.000 0.207 404 N C -0.197 175.215 175.510 -0.164 0.000 1.040 404 N CA 0.544 53.535 53.050 -0.098 0.000 0.947 404 N CB 0.483 38.948 38.487 -0.036 0.000 1.293 404 N HN -0.032 nan 8.380 nan 0.000 0.446 405 K N 1.192 121.378 120.400 -0.357 0.000 2.274 405 K HA 0.216 4.536 4.320 0.001 0.000 0.262 405 K C -0.711 175.658 176.600 -0.385 0.000 0.961 405 K CA -0.202 55.870 56.287 -0.359 0.000 0.833 405 K CB 1.999 34.277 32.500 -0.371 0.000 1.102 405 K HN -0.063 nan 8.250 nan 0.000 0.436 406 T N 4.987 119.408 114.554 -0.222 0.000 2.779 406 T HA 0.251 4.601 4.350 0.001 0.000 0.296 406 T C -2.035 172.549 174.700 -0.194 0.000 0.938 406 T CA -1.344 60.648 62.100 -0.180 0.000 1.119 406 T CB 0.458 69.245 68.868 -0.135 0.000 0.891 406 T HN 0.336 nan 8.240 nan 0.000 0.526 407 P HA 0.354 nan 4.420 nan 0.000 0.278 407 P C 0.061 177.305 177.300 -0.094 0.000 1.266 407 P CA -0.402 62.673 63.100 -0.042 0.000 0.807 407 P CB 1.049 32.811 31.700 0.104 0.000 1.094 408 H N -1.013 118.089 119.070 0.053 0.000 2.306 408 H HA 0.116 4.672 4.556 0.001 0.000 0.307 408 H C 0.333 175.699 175.328 0.062 0.000 1.061 408 H CA 1.060 57.135 56.048 0.045 0.000 1.359 408 H CB -0.109 29.676 29.762 0.038 0.000 1.407 408 H HN 0.015 nan 8.280 nan 0.000 0.517 409 V N 1.077 121.128 119.914 0.227 0.000 2.513 409 V HA 0.430 4.551 4.120 0.001 0.000 0.299 409 V C -0.444 175.759 176.094 0.181 0.000 1.035 409 V CA -0.641 61.768 62.300 0.182 0.000 0.889 409 V CB 1.750 33.678 31.823 0.176 0.000 0.988 409 V HN 0.464 nan 8.190 nan 0.000 0.440 410 S N 3.066 118.857 115.700 0.153 0.000 2.549 410 S HA 0.872 5.342 4.470 0.001 0.000 0.280 410 S C -1.213 173.398 174.600 0.019 0.000 1.109 410 S CA -0.756 57.500 58.200 0.093 0.000 0.905 410 S CB 2.033 65.258 63.200 0.042 0.000 1.081 410 S HN 0.427 nan 8.310 nan 0.000 0.477 411 V N 1.319 121.191 119.914 -0.070 0.000 2.531 411 V HA 0.499 4.620 4.120 0.001 0.000 0.301 411 V C -0.493 175.475 176.094 -0.210 0.000 1.034 411 V CA -0.803 61.377 62.300 -0.200 0.000 0.865 411 V CB 1.450 33.172 31.823 -0.169 0.000 0.995 411 V HN 1.177 nan 8.190 nan 0.000 0.424 412 C N 5.207 124.368 119.300 -0.231 0.000 2.239 412 C HA 0.928 5.388 4.460 0.001 0.000 0.325 412 C C 0.728 175.616 174.990 -0.171 0.000 1.231 412 C CA 0.826 59.731 59.018 -0.188 0.000 1.652 412 C CB -1.064 26.581 27.740 -0.159 0.000 2.284 412 C HN 1.311 nan 8.230 nan 0.000 0.499 413 G N 4.709 113.416 108.800 -0.155 0.000 2.350 413 G HA2 0.218 4.178 3.960 0.001 0.000 0.276 413 G HA3 0.218 4.178 3.960 0.001 0.000 0.276 413 G C -1.649 173.176 174.900 -0.125 0.000 1.313 413 G CA -0.501 44.520 45.100 -0.131 0.000 0.903 413 G HN 0.644 nan 8.290 nan 0.000 0.490 414 D N -0.152 120.185 120.400 -0.106 0.000 2.383 414 D HA 0.316 4.956 4.640 0.001 0.000 0.252 414 D C 1.446 177.669 176.300 -0.128 0.000 1.166 414 D CA 0.447 54.390 54.000 -0.096 0.000 0.879 414 D CB 1.659 42.418 40.800 -0.068 0.000 1.164 414 D HN 0.573 nan 8.370 nan 0.000 0.462 415 V N 5.224 125.054 119.914 -0.141 0.000 2.515 415 V HA -0.147 3.973 4.120 0.001 0.000 0.250 415 V C 2.217 178.202 176.094 -0.181 0.000 1.058 415 V CA 1.847 64.019 62.300 -0.214 0.000 1.064 415 V CB -0.384 31.322 31.823 -0.196 0.000 0.675 415 V HN 0.655 nan 8.190 nan 0.000 0.461 416 K N -0.301 120.038 120.400 -0.102 0.000 2.032 416 K HA -0.174 4.146 4.320 0.001 0.000 0.209 416 K C 2.056 178.618 176.600 -0.062 0.000 1.048 416 K CA 2.134 58.384 56.287 -0.061 0.000 0.927 416 K CB -0.264 32.220 32.500 -0.027 0.000 0.712 416 K HN 0.543 nan 8.250 nan 0.000 0.441 417 L N 0.246 121.428 121.223 -0.068 0.000 2.093 417 L HA -0.104 4.237 4.340 0.001 0.000 0.208 417 L C 2.682 179.508 176.870 -0.074 0.000 1.085 417 L CA 1.033 55.840 54.840 -0.055 0.000 0.755 417 L CB -0.558 41.471 42.059 -0.050 0.000 0.904 417 L HN 0.247 nan 8.230 nan 0.000 0.435 418 A N 0.419 123.160 122.820 -0.132 0.000 1.902 418 A HA -0.146 4.174 4.320 0.001 0.000 0.217 418 A C 2.271 179.758 177.584 -0.162 0.000 1.181 418 A CA 1.374 53.308 52.037 -0.171 0.000 0.623 418 A CB -0.640 18.189 19.000 -0.285 0.000 0.818 418 A HN 0.333 nan 8.150 nan 0.000 0.443 419 L N -1.007 120.100 121.223 -0.194 0.000 2.027 419 L HA -0.250 4.091 4.340 0.001 0.000 0.206 419 L C 2.903 179.793 176.870 0.034 0.000 1.074 419 L CA 1.616 56.390 54.840 -0.109 0.000 0.745 419 L CB -0.643 41.344 42.059 -0.119 0.000 0.898 419 L HN 0.461 nan 8.230 nan 0.000 0.433 420 Q N -0.257 119.550 119.800 0.012 0.000 2.077 420 Q HA -0.206 4.134 4.340 0.001 0.000 0.206 420 Q C 2.269 178.298 176.000 0.047 0.000 0.989 420 Q CA 1.711 57.537 55.803 0.038 0.000 0.853 420 Q CB -0.461 28.288 28.738 0.019 0.000 0.907 420 Q HN 0.639 nan 8.270 nan 0.000 0.418 421 G N 0.384 109.201 108.800 0.028 0.000 2.404 421 G HA2 -0.237 3.723 3.960 0.001 0.000 0.215 421 G HA3 -0.237 3.723 3.960 0.001 0.000 0.215 421 G C 1.358 176.300 174.900 0.070 0.000 1.174 421 G CA 0.696 45.818 45.100 0.038 0.000 0.780 421 G HN 0.190 nan 8.290 nan 0.000 0.537 422 M N 0.614 120.272 119.600 0.096 0.000 2.213 422 M HA -0.053 4.427 4.480 0.001 0.000 0.263 422 M C 2.306 178.721 176.300 0.191 0.000 1.062 422 M CA 0.895 56.301 55.300 0.176 0.000 1.105 422 M CB -0.292 32.480 32.600 0.287 0.000 1.385 422 M HN 0.124 nan 8.290 nan 0.000 0.417 423 N N 0.652 119.464 118.700 0.187 0.000 2.166 423 N HA -0.112 4.628 4.740 0.001 0.000 0.186 423 N C 1.501 177.063 175.510 0.086 0.000 1.019 423 N CA 1.127 54.266 53.050 0.148 0.000 0.856 423 N CB -0.197 38.378 38.487 0.146 0.000 0.993 423 N HN 0.357 nan 8.380 nan 0.000 0.426 424 K N 0.369 120.814 120.400 0.074 0.000 2.025 424 K HA -0.008 4.312 4.320 0.001 0.000 0.207 424 K C 1.967 178.595 176.600 0.046 0.000 1.049 424 K CA 0.789 57.107 56.287 0.052 0.000 0.933 424 K CB -0.311 32.216 32.500 0.045 0.000 0.714 424 K HN -0.009 nan 8.250 nan 0.000 0.438 425 V N 2.232 122.179 119.914 0.055 0.000 2.282 425 V HA -0.260 3.860 4.120 0.001 0.000 0.249 425 V C 2.333 178.450 176.094 0.039 0.000 1.057 425 V CA 1.712 64.042 62.300 0.049 0.000 1.032 425 V CB -0.522 31.338 31.823 0.063 0.000 0.645 425 V HN 0.253 nan 8.190 nan 0.000 0.447 426 L N -0.532 120.715 121.223 0.040 0.000 2.141 426 L HA -0.157 4.183 4.340 0.001 0.000 0.209 426 L C 2.530 179.403 176.870 0.005 0.000 1.094 426 L CA 1.542 56.388 54.840 0.011 0.000 0.763 426 L CB -0.457 41.589 42.059 -0.022 0.000 0.908 426 L HN 0.375 nan 8.230 nan 0.000 0.437 427 E N 0.018 120.229 120.200 0.018 0.000 2.072 427 E HA -0.167 4.184 4.350 0.001 0.000 0.190 427 E C 1.901 178.509 176.600 0.013 0.000 0.982 427 E CA 0.874 57.284 56.400 0.016 0.000 0.803 427 E CB 0.226 29.942 29.700 0.026 0.000 0.755 427 E HN 0.440 nan 8.360 nan 0.000 0.453 428 N N 0.446 119.156 118.700 0.017 0.000 2.171 428 N HA -0.087 4.654 4.740 0.001 0.000 0.184 428 N C 0.891 176.406 175.510 0.009 0.000 1.021 428 N CA 0.979 54.037 53.050 0.014 0.000 0.854 428 N CB -0.041 38.457 38.487 0.017 0.000 0.994 428 N HN 0.056 nan 8.380 nan 0.000 0.426 429 R N 0.466 120.970 120.500 0.008 0.000 2.515 429 R HA 0.382 4.723 4.340 0.001 0.000 0.294 429 R C 1.458 177.754 176.300 -0.006 0.000 1.021 429 R CA -0.103 55.998 56.100 0.003 0.000 1.081 429 R CB 0.268 30.572 30.300 0.007 0.000 1.263 429 R HN 0.103 nan 8.270 nan 0.000 0.557 430 A N 1.666 124.482 122.820 -0.007 0.000 1.859 430 A HA -0.293 4.027 4.320 0.001 0.000 0.217 430 A C 2.362 179.933 177.584 -0.023 0.000 1.198 430 A CA 2.323 54.350 52.037 -0.017 0.000 0.629 430 A CB -0.723 18.270 19.000 -0.013 0.000 0.830 430 A HN 0.490 nan 8.150 nan 0.000 0.446 431 E N -0.520 119.670 120.200 -0.017 0.000 2.208 431 E HA -0.150 4.201 4.350 0.001 0.000 0.193 431 E C 1.809 178.396 176.600 -0.021 0.000 0.988 431 E CA 1.357 57.745 56.400 -0.020 0.000 0.828 431 E CB -0.719 28.973 29.700 -0.014 0.000 0.763 431 E HN 0.849 nan 8.360 nan 0.000 0.478 432 E N -0.657 119.533 120.200 -0.016 0.000 2.204 432 E HA -0.079 4.271 4.350 0.001 0.000 0.194 432 E C 1.952 178.540 176.600 -0.021 0.000 0.989 432 E CA 0.985 57.376 56.400 -0.015 0.000 0.824 432 E CB -0.042 29.654 29.700 -0.008 0.000 0.756 432 E HN 0.586 nan 8.360 nan 0.000 0.477 433 L N -0.275 120.931 121.223 -0.028 0.000 2.362 433 L HA 0.144 4.484 4.340 0.001 0.000 0.204 433 L C 1.249 178.079 176.870 -0.066 0.000 1.060 433 L CA 0.525 55.341 54.840 -0.040 0.000 0.827 433 L CB -0.123 41.915 42.059 -0.036 0.000 1.027 433 L HN -0.038 nan 8.230 nan 0.000 0.474 434 K N 1.661 122.021 120.400 -0.067 0.000 4.040 434 K HA -0.192 4.128 4.320 0.001 0.000 0.279 434 K C -0.250 176.267 176.600 -0.140 0.000 0.890 434 K CA 0.920 57.157 56.287 -0.084 0.000 0.782 434 K CB -3.050 29.410 32.500 -0.066 0.000 1.613 434 K HN 0.305 nan 8.250 nan 0.000 0.440 435 L N 0.764 121.881 121.223 -0.177 0.000 2.410 435 L HA 0.479 4.820 4.340 0.001 0.000 0.273 435 L C 0.531 177.167 176.870 -0.390 0.000 1.152 435 L CA -0.357 54.277 54.840 -0.342 0.000 0.855 435 L CB 1.211 43.084 42.059 -0.309 0.000 1.129 435 L HN 0.652 nan 8.230 nan 0.000 0.463 436 D N 2.511 122.575 120.400 -0.561 0.000 2.478 436 D HA 0.264 4.904 4.640 0.001 0.000 0.240 436 D C -0.644 175.404 176.300 -0.421 0.000 1.364 436 D CA -0.333 53.445 54.000 -0.371 0.000 0.987 436 D CB 0.720 41.413 40.800 -0.177 0.000 1.328 436 D HN 0.235 nan 8.370 nan 0.000 0.584 437 F N 2.034 122.018 119.950 0.056 0.000 2.837 437 F HA 0.326 4.854 4.527 0.001 0.000 0.298 437 F C 1.979 177.854 175.800 0.126 0.000 1.161 437 F CA -0.632 57.436 58.000 0.113 0.000 1.353 437 F CB 1.044 40.139 39.000 0.159 0.000 0.951 437 F HN 0.529 nan 8.300 nan 0.000 0.508 438 G N 0.850 109.755 108.800 0.175 0.000 2.446 438 G HA2 -0.275 3.685 3.960 0.001 0.000 0.217 438 G HA3 -0.275 3.685 3.960 0.001 0.000 0.217 438 G C 1.806 176.785 174.900 0.132 0.000 1.168 438 G CA 1.530 46.701 45.100 0.119 0.000 0.771 438 G HN 0.333 nan 8.290 nan 0.000 0.551 439 V N -2.199 117.809 119.914 0.155 0.000 2.469 439 V HA -0.121 3.999 4.120 0.001 0.000 0.251 439 V C 2.270 178.507 176.094 0.238 0.000 1.064 439 V CA 1.930 64.326 62.300 0.159 0.000 1.066 439 V CB -0.900 31.010 31.823 0.145 0.000 0.667 439 V HN 0.660 nan 8.190 nan 0.000 0.461 440 W N 1.068 122.424 121.300 0.093 0.000 2.481 440 W HA 0.020 4.680 4.660 0.000 0.000 0.293 440 W C 2.652 179.214 176.519 0.072 0.000 1.201 440 W CA 0.994 58.388 57.345 0.081 0.000 1.328 440 W CB 0.078 29.585 29.460 0.079 0.000 1.112 440 W HN 0.145 nan 8.180 nan 0.000 0.546 441 R N 0.610 121.104 120.500 -0.010 0.000 2.096 441 R HA -0.212 4.129 4.340 0.001 0.000 0.235 441 R C 2.014 178.227 176.300 -0.146 0.000 1.127 441 R CA 2.016 58.027 56.100 -0.148 0.000 0.968 441 R CB -0.587 29.720 30.300 0.011 0.000 0.861 441 R HN 0.160 nan 8.270 nan 0.000 0.440 442 N N 0.726 119.392 118.700 -0.056 0.000 2.084 442 N HA -0.213 4.527 4.740 0.001 0.000 0.190 442 N C 1.618 177.075 175.510 -0.089 0.000 1.030 442 N CA 1.532 54.549 53.050 -0.055 0.000 0.849 442 N CB -0.032 38.451 38.487 -0.006 0.000 1.012 442 N HN 0.204 nan 8.380 nan 0.000 0.423 443 E N -0.222 119.933 120.200 -0.074 0.000 2.160 443 E HA -0.170 4.181 4.350 0.001 0.000 0.195 443 E C 1.766 178.252 176.600 -0.191 0.000 0.991 443 E CA 0.861 57.217 56.400 -0.073 0.000 0.810 443 E CB -0.063 29.673 29.700 0.060 0.000 0.742 443 E HN 0.467 nan 8.360 nan 0.000 0.466 444 L N 0.591 121.617 121.223 -0.329 0.000 2.131 444 L HA -0.100 4.240 4.340 0.001 0.000 0.206 444 L C 2.201 178.930 176.870 -0.235 0.000 1.087 444 L CA 0.414 55.060 54.840 -0.323 0.000 0.767 444 L CB -0.371 41.421 42.059 -0.446 0.000 0.917 444 L HN 0.104 nan 8.230 nan 0.000 0.441 445 N N 0.215 118.791 118.700 -0.207 0.000 2.223 445 N HA -0.146 4.595 4.740 0.001 0.000 0.185 445 N C 1.867 177.272 175.510 -0.175 0.000 1.016 445 N CA 1.739 54.678 53.050 -0.185 0.000 0.863 445 N CB -0.174 38.233 38.487 -0.134 0.000 0.983 445 N HN 0.359 nan 8.380 nan 0.000 0.429 446 V N -1.031 118.789 119.914 -0.156 0.000 2.548 446 V HA -0.056 4.064 4.120 0.001 0.000 0.249 446 V C 2.103 178.102 176.094 -0.158 0.000 1.055 446 V CA 1.120 63.334 62.300 -0.143 0.000 1.065 446 V CB -0.442 31.313 31.823 -0.113 0.000 0.681 446 V HN 0.056 nan 8.190 nan 0.000 0.462 447 Q N 0.969 120.661 119.800 -0.179 0.000 2.119 447 Q HA -0.141 4.199 4.340 0.001 0.000 0.201 447 Q C 2.272 178.263 176.000 -0.014 0.000 0.972 447 Q CA 1.860 57.606 55.803 -0.094 0.000 0.847 447 Q CB -0.348 28.240 28.738 -0.250 0.000 0.903 447 Q HN 0.730 nan 8.270 nan 0.000 0.433 448 K N 0.604 120.860 120.400 -0.240 0.000 2.209 448 K HA -0.146 4.175 4.320 0.001 0.000 0.204 448 K C 1.861 178.286 176.600 -0.292 0.000 1.048 448 K CA 1.007 56.942 56.287 -0.587 0.000 0.940 448 K CB 0.240 32.287 32.500 -0.756 0.000 0.729 448 K HN 0.230 nan 8.250 nan 0.000 0.451 449 Q N -0.762 118.921 119.800 -0.194 0.000 2.259 449 Q HA -0.043 4.298 4.340 0.001 0.000 0.201 449 Q C 2.288 178.185 176.000 -0.170 0.000 0.938 449 Q CA 1.173 56.884 55.803 -0.152 0.000 0.872 449 Q CB 0.200 28.853 28.738 -0.141 0.000 0.971 449 Q HN 0.216 nan 8.270 nan 0.000 0.494 450 K N 0.681 120.942 120.400 -0.232 0.000 2.097 450 K HA -0.052 4.268 4.320 0.001 0.000 0.205 450 K C 0.596 176.772 176.600 -0.706 0.000 1.050 450 K CA 1.159 57.151 56.287 -0.491 0.000 0.938 450 K CB -0.230 31.921 32.500 -0.582 0.000 0.718 450 K HN 0.201 nan 8.250 nan 0.000 0.442 451 F N 0.933 120.904 119.950 0.036 0.000 2.622 451 F HA 0.286 4.813 4.527 0.001 0.000 0.338 451 F C -2.580 173.341 175.800 0.202 0.000 1.334 451 F CA -2.544 55.523 58.000 0.112 0.000 1.179 451 F CB 1.917 41.004 39.000 0.145 0.000 1.471 451 F HN -0.030 nan 8.300 nan 0.000 0.576 452 P HA 0.243 nan 4.420 nan 0.000 0.280 452 P C -0.171 177.295 177.300 0.276 0.000 1.272 452 P CA -0.523 62.738 63.100 0.269 0.000 0.819 452 P CB 1.635 33.397 31.700 0.103 0.000 1.122 453 L N 1.052 122.431 121.223 0.261 0.000 2.513 453 L HA 0.142 4.482 4.340 0.001 0.000 0.272 453 L C 0.934 177.991 176.870 0.312 0.000 1.187 453 L CA 0.813 55.779 54.840 0.211 0.000 0.895 453 L CB -0.132 41.906 42.059 -0.034 0.000 1.147 453 L HN 0.564 nan 8.230 nan 0.000 0.483 454 S N 3.267 119.191 115.700 0.373 0.000 2.595 454 S HA 0.853 5.324 4.470 0.001 0.000 0.281 454 S C -0.830 174.001 174.600 0.385 0.000 1.117 454 S CA -0.830 57.542 58.200 0.288 0.000 0.873 454 S CB 2.248 65.519 63.200 0.118 0.000 1.108 454 S HN 0.441 nan 8.310 nan 0.000 0.477 455 F N -1.228 118.767 119.950 0.076 0.000 2.631 455 F HA 0.763 5.290 4.527 0.000 0.000 0.308 455 F C -0.927 174.814 175.800 -0.098 0.000 1.097 455 F CA -1.145 56.837 58.000 -0.030 0.000 0.952 455 F CB 1.351 40.236 39.000 -0.193 0.000 1.307 455 F HN 0.598 nan 8.300 nan 0.000 0.450 456 K N 1.198 121.602 120.400 0.005 0.000 2.130 456 K HA 0.584 4.904 4.320 0.001 0.000 0.268 456 K C -0.955 175.520 176.600 -0.209 0.000 0.983 456 K CA -0.740 55.395 56.287 -0.254 0.000 0.893 456 K CB 1.907 34.182 32.500 -0.374 0.000 1.066 456 K HN 0.790 nan 8.250 nan 0.000 0.450 457 T N 3.255 117.578 114.554 -0.384 0.000 2.758 457 T HA 0.380 4.730 4.350 0.001 0.000 0.285 457 T C -0.830 173.617 174.700 -0.422 0.000 0.981 457 T CA -0.440 61.511 62.100 -0.248 0.000 0.965 457 T CB 0.140 68.884 68.868 -0.208 0.000 0.927 457 T HN 0.229 nan 8.240 nan 0.000 0.448 458 F N 2.844 122.766 119.950 -0.046 0.000 2.332 458 F HA 0.515 5.042 4.527 0.001 0.000 0.368 458 F C 1.449 177.225 175.800 -0.041 0.000 1.110 458 F CA -0.234 57.740 58.000 -0.044 0.000 1.087 458 F CB 0.674 39.651 39.000 -0.037 0.000 1.235 458 F HN 0.899 nan 8.300 nan 0.000 0.470 459 G N 2.767 111.611 108.800 0.073 0.000 2.685 459 G HA2 -0.349 3.611 3.960 0.001 0.000 0.329 459 G HA3 -0.349 3.611 3.960 0.001 0.000 0.329 459 G C 1.096 176.007 174.900 0.018 0.000 1.271 459 G CA 0.619 45.742 45.100 0.038 0.000 1.003 459 G HN 0.493 nan 8.290 nan 0.000 0.549 460 E N 1.736 121.954 120.200 0.030 0.000 2.474 460 E HA 0.459 4.809 4.350 0.001 0.000 0.195 460 E C 1.591 178.210 176.600 0.031 0.000 1.039 460 E CA 0.690 57.101 56.400 0.019 0.000 0.881 460 E CB 0.057 29.768 29.700 0.018 0.000 0.970 460 E HN 0.849 nan 8.360 nan 0.000 0.486 461 A N 1.111 123.964 122.820 0.055 0.000 2.445 461 A HA 0.210 4.531 4.320 0.001 0.000 0.242 461 A C 0.369 177.985 177.584 0.053 0.000 1.075 461 A CA -0.177 51.897 52.037 0.062 0.000 0.777 461 A CB 0.024 19.073 19.000 0.082 0.000 1.013 461 A HN 0.141 nan 8.150 nan 0.000 0.493 462 I N 3.308 123.906 120.570 0.048 0.000 2.452 462 I HA 0.185 4.355 4.170 0.001 0.000 0.287 462 I C -2.017 174.107 176.117 0.011 0.000 1.079 462 I CA -1.553 59.771 61.300 0.040 0.000 1.387 462 I CB 1.074 39.101 38.000 0.045 0.000 1.404 462 I HN 0.392 nan 8.210 nan 0.000 0.522 463 P HA 0.166 nan 4.420 nan 0.000 0.282 463 P C -2.037 175.093 177.300 -0.284 0.000 1.262 463 P CA -1.677 61.338 63.100 -0.141 0.000 0.773 463 P CB 0.377 32.003 31.700 -0.123 0.000 0.879 464 P HA -0.234 nan 4.420 nan 0.000 0.216 464 P C 1.166 178.145 177.300 -0.536 0.000 1.153 464 P CA 1.738 64.618 63.100 -0.367 0.000 0.858 464 P CB 0.101 31.550 31.700 -0.418 0.000 0.789 465 Q N -0.975 118.224 119.800 -1.003 0.000 2.061 465 Q HA -0.210 4.130 4.340 0.001 0.000 0.204 465 Q C 2.330 177.663 176.000 -1.112 0.000 0.984 465 Q CA 1.615 56.604 55.803 -1.357 0.000 0.846 465 Q CB -1.497 25.945 28.738 -2.160 0.000 0.902 465 Q HN 0.299 nan 8.270 nan 0.000 0.421 466 Y N 0.684 120.269 120.300 -1.192 0.000 2.224 466 Y HA -0.192 4.358 4.550 0.001 0.000 0.289 466 Y C 2.144 177.836 175.900 -0.347 0.000 1.146 466 Y CA 1.176 58.846 58.100 -0.716 0.000 1.182 466 Y CB -0.519 37.676 38.460 -0.442 0.000 0.983 466 Y HN 0.111 nan 8.280 nan 0.000 0.524 467 A N 0.380 123.019 122.820 -0.302 0.000 1.883 467 A HA -0.195 4.126 4.320 0.001 0.000 0.217 467 A C 2.264 179.730 177.584 -0.196 0.000 1.186 467 A CA 2.113 54.018 52.037 -0.220 0.000 0.624 467 A CB -1.138 17.805 19.000 -0.095 0.000 0.822 467 A HN 0.550 nan 8.150 nan 0.000 0.444 468 I N -0.788 119.690 120.570 -0.153 0.000 2.315 468 I HA -0.239 3.931 4.170 0.001 0.000 0.248 468 I C 2.484 178.562 176.117 -0.065 0.000 1.117 468 I CA 1.388 62.684 61.300 -0.007 0.000 1.404 468 I CB -0.203 37.867 38.000 0.118 0.000 1.071 468 I HN 0.275 nan 8.210 nan 0.000 0.419 469 K N 0.336 120.612 120.400 -0.207 0.000 2.057 469 K HA -0.126 4.194 4.320 0.001 0.000 0.207 469 K C 2.098 178.529 176.600 -0.281 0.000 1.049 469 K CA 1.242 57.399 56.287 -0.216 0.000 0.931 469 K CB -0.057 32.320 32.500 -0.204 0.000 0.714 469 K HN 0.147 nan 8.250 nan 0.000 0.440 470 V N 1.524 121.202 119.914 -0.394 0.000 2.358 470 V HA -0.231 3.889 4.120 0.001 0.000 0.246 470 V C 2.170 178.157 176.094 -0.178 0.000 1.047 470 V CA 1.322 63.425 62.300 -0.327 0.000 1.035 470 V CB -0.353 31.232 31.823 -0.397 0.000 0.658 470 V HN 0.279 nan 8.190 nan 0.000 0.452 471 L N 0.513 121.667 121.223 -0.115 0.000 2.042 471 L HA -0.202 4.139 4.340 0.001 0.000 0.210 471 L C 2.214 179.071 176.870 -0.022 0.000 1.076 471 L CA 2.378 57.216 54.840 -0.003 0.000 0.749 471 L CB -0.766 41.359 42.059 0.110 0.000 0.893 471 L HN 0.351 nan 8.230 nan 0.000 0.432 472 D N -0.462 119.819 120.400 -0.198 0.000 2.092 472 D HA -0.271 4.370 4.640 0.001 0.000 0.193 472 D C 2.065 178.162 176.300 -0.338 0.000 0.994 472 D CA 1.612 55.249 54.000 -0.605 0.000 0.828 472 D CB -0.087 40.269 40.800 -0.741 0.000 0.963 472 D HN 0.541 nan 8.370 nan 0.000 0.450 473 E N -0.203 119.861 120.200 -0.228 0.000 2.058 473 E HA -0.164 4.187 4.350 0.001 0.000 0.194 473 E C 2.515 179.052 176.600 -0.105 0.000 0.997 473 E CA 0.737 57.046 56.400 -0.151 0.000 0.801 473 E CB -0.137 29.488 29.700 -0.125 0.000 0.746 473 E HN 0.338 nan 8.360 nan 0.000 0.450 474 L N 0.226 121.396 121.223 -0.089 0.000 2.156 474 L HA -0.105 4.235 4.340 0.001 0.000 0.208 474 L C 2.649 179.503 176.870 -0.026 0.000 1.095 474 L CA 1.553 56.361 54.840 -0.053 0.000 0.770 474 L CB -0.389 41.639 42.059 -0.051 0.000 0.914 474 L HN 0.264 nan 8.230 nan 0.000 0.439 475 T N -5.237 109.312 114.554 -0.007 0.000 3.100 475 T HA -0.043 4.307 4.350 0.001 0.000 0.253 475 T C 0.816 175.532 174.700 0.026 0.000 1.118 475 T CA 0.418 62.544 62.100 0.043 0.000 1.058 475 T CB 0.019 68.973 68.868 0.144 0.000 0.953 475 T HN 0.246 nan 8.240 nan 0.000 0.515 476 D N 0.921 121.302 120.400 -0.033 0.000 2.981 476 D HA -0.137 4.503 4.640 0.001 0.000 0.223 476 D C 1.113 177.384 176.300 -0.049 0.000 1.151 476 D CA 1.472 55.446 54.000 -0.044 0.000 0.827 476 D CB -1.665 39.128 40.800 -0.012 0.000 1.101 476 D HN 0.936 nan 8.370 nan 0.000 0.426 477 G N -0.148 108.590 108.800 -0.104 0.000 2.153 477 G HA2 -0.387 3.573 3.960 0.001 0.000 0.252 477 G HA3 -0.387 3.573 3.960 0.001 0.000 0.252 477 G C 0.844 175.860 174.900 0.193 0.000 0.994 477 G CA 0.813 45.857 45.100 -0.093 0.000 0.698 477 G HN 0.538 nan 8.290 nan 0.000 0.521 478 K N -0.268 120.253 120.400 0.201 0.000 2.387 478 K HA 0.558 4.878 4.320 0.001 0.000 0.203 478 K C 1.198 177.911 176.600 0.189 0.000 1.030 478 K CA 0.370 56.763 56.287 0.177 0.000 1.099 478 K CB 0.889 33.451 32.500 0.102 0.000 0.863 478 K HN 0.525 nan 8.250 nan 0.000 0.529 479 A N 1.225 124.199 122.820 0.256 0.000 2.322 479 A HA 0.398 4.718 4.320 0.001 0.000 0.269 479 A C -0.059 177.589 177.584 0.106 0.000 1.094 479 A CA -0.467 51.663 52.037 0.155 0.000 0.807 479 A CB 0.170 19.261 19.000 0.151 0.000 1.047 479 A HN 0.222 nan 8.150 nan 0.000 0.487 480 I N 2.720 123.335 120.570 0.075 0.000 2.396 480 I HA 0.140 4.310 4.170 0.001 0.000 0.289 480 I C -0.530 175.604 176.117 0.029 0.000 1.056 480 I CA -0.029 61.307 61.300 0.060 0.000 1.365 480 I CB 0.516 38.540 38.000 0.040 0.000 1.407 480 I HN 0.346 nan 8.210 nan 0.000 0.509 481 I N 6.120 126.716 120.570 0.043 0.000 2.362 481 I HA 0.263 4.433 4.170 0.001 0.000 0.289 481 I C 0.363 176.467 176.117 -0.021 0.000 0.994 481 I CA -0.213 61.113 61.300 0.043 0.000 1.158 481 I CB 1.378 39.461 38.000 0.138 0.000 1.315 481 I HN 0.534 nan 8.210 nan 0.000 0.451 482 S N 4.358 120.039 115.700 -0.030 0.000 2.638 482 S HA 0.914 5.385 4.470 0.001 0.000 0.298 482 S C -0.062 174.527 174.600 -0.018 0.000 1.111 482 S CA -0.487 57.666 58.200 -0.078 0.000 1.027 482 S CB 2.337 65.500 63.200 -0.062 0.000 1.064 482 S HN 0.715 nan 8.310 nan 0.000 0.525 483 T N -1.725 112.809 114.554 -0.034 0.000 2.883 483 T HA 0.764 5.114 4.350 0.001 0.000 0.301 483 T C 0.497 175.278 174.700 0.135 0.000 1.158 483 T CA -0.429 61.715 62.100 0.072 0.000 1.007 483 T CB 0.978 69.834 68.868 -0.020 0.000 1.186 483 T HN 0.957 nan 8.240 nan 0.000 0.499 484 G N 0.038 109.050 108.800 0.352 0.000 2.514 484 G HA2 0.552 4.513 3.960 0.001 0.000 0.245 484 G HA3 0.552 4.513 3.960 0.001 0.000 0.245 484 G C -0.883 174.027 174.900 0.016 0.000 1.488 484 G CA -0.601 44.666 45.100 0.279 0.000 1.063 484 G HN 0.903 nan 8.290 nan 0.000 0.557 485 V N -0.092 119.854 119.914 0.054 0.000 2.588 485 V HA 0.792 4.912 4.120 0.001 0.000 0.304 485 V C 0.703 176.770 176.094 -0.045 0.000 1.042 485 V CA 0.739 62.985 62.300 -0.089 0.000 0.877 485 V CB 0.663 32.435 31.823 -0.086 0.000 0.996 485 V HN 1.744 nan 8.190 nan 0.000 0.425 486 G N 3.542 112.243 108.800 -0.165 0.000 2.270 486 G HA2 -0.054 3.906 3.960 0.001 0.000 0.268 486 G HA3 -0.054 3.906 3.960 0.001 0.000 0.268 486 G C 0.168 174.918 174.900 -0.250 0.000 1.312 486 G CA 0.064 45.098 45.100 -0.110 0.000 1.050 486 G HN 0.456 nan 8.290 nan 0.000 0.474 487 Q N -0.649 119.007 119.800 -0.240 0.000 2.096 487 Q HA -0.265 4.075 4.340 0.001 0.000 0.208 487 Q C 2.300 177.890 176.000 -0.683 0.000 0.993 487 Q CA 2.366 57.793 55.803 -0.627 0.000 0.862 487 Q CB -0.339 28.046 28.738 -0.589 0.000 0.915 487 Q HN 0.814 nan 8.270 nan 0.000 0.416 488 H N -0.002 118.959 119.070 -0.183 0.000 2.421 488 H HA -0.122 4.435 4.556 0.000 0.000 0.298 488 H C 1.806 177.219 175.328 0.143 0.000 1.087 488 H CA 1.581 57.712 56.048 0.140 0.000 1.330 488 H CB -0.244 29.639 29.762 0.200 0.000 1.388 488 H HN 0.375 nan 8.280 nan 0.000 0.526 489 Q N 0.177 119.604 119.800 -0.621 0.000 2.079 489 Q HA -0.083 4.257 4.340 0.001 0.000 0.200 489 Q C 2.093 178.100 176.000 0.012 0.000 0.974 489 Q CA 1.209 56.848 55.803 -0.273 0.000 0.840 489 Q CB 0.175 28.714 28.738 -0.332 0.000 0.898 489 Q HN 0.331 nan 8.270 nan 0.000 0.430 490 M N -0.853 118.646 119.600 -0.169 0.000 2.175 490 M HA -0.164 4.316 4.480 0.001 0.000 0.264 490 M C 1.723 178.040 176.300 0.030 0.000 1.063 490 M CA 1.051 56.262 55.300 -0.147 0.000 1.119 490 M CB -1.013 31.344 32.600 -0.406 0.000 1.377 490 M HN 0.386 nan 8.290 nan 0.000 0.415 491 W N 0.525 121.912 121.300 0.146 0.000 2.418 491 W HA 0.092 4.752 4.660 0.001 0.000 0.292 491 W C 2.645 179.339 176.519 0.291 0.000 1.213 491 W CA 1.166 58.679 57.345 0.281 0.000 1.283 491 W CB -1.314 28.277 29.460 0.218 0.000 1.119 491 W HN 0.272 nan 8.180 nan 0.000 0.542 492 A N 0.463 123.558 122.820 0.458 0.000 2.019 492 A HA 0.030 4.350 4.320 0.001 0.000 0.219 492 A C 2.226 179.985 177.584 0.292 0.000 1.164 492 A CA 2.310 54.606 52.037 0.432 0.000 0.644 492 A CB -0.788 18.516 19.000 0.508 0.000 0.805 492 A HN 0.110 nan 8.150 nan 0.000 0.449 493 A N -0.864 121.993 122.820 0.063 0.000 1.898 493 A HA -0.102 4.218 4.320 0.001 0.000 0.214 493 A C 2.107 179.632 177.584 -0.099 0.000 1.183 493 A CA 1.418 53.270 52.037 -0.309 0.000 0.622 493 A CB -0.417 18.375 19.000 -0.348 0.000 0.824 493 A HN 0.591 nan 8.150 nan 0.000 0.444 494 Q N -1.939 117.854 119.800 -0.012 0.000 2.123 494 Q HA 0.022 4.363 4.340 0.001 0.000 0.199 494 Q C 0.847 176.599 176.000 -0.414 0.000 0.966 494 Q CA 1.231 56.900 55.803 -0.222 0.000 0.845 494 Q CB -0.035 28.561 28.738 -0.235 0.000 0.907 494 Q HN 0.739 nan 8.270 nan 0.000 0.439 495 F N -1.892 118.090 119.950 0.053 0.000 2.682 495 F HA 0.195 4.723 4.527 0.000 0.000 0.308 495 F C 0.041 175.811 175.800 -0.049 0.000 1.093 495 F CA -0.502 57.495 58.000 -0.005 0.000 1.244 495 F CB 0.666 39.657 39.000 -0.016 0.000 1.052 495 F HN -0.052 nan 8.300 nan 0.000 0.573 496 Y N 1.103 121.357 120.300 -0.076 0.000 2.387 496 Y HA 0.409 4.960 4.550 0.001 0.000 0.336 496 Y C -0.128 175.442 175.900 -0.550 0.000 1.067 496 Y CA -0.968 56.937 58.100 -0.325 0.000 1.114 496 Y CB 0.755 38.953 38.460 -0.437 0.000 1.208 496 Y HN -0.179 nan 8.280 nan 0.000 0.458 497 N N 5.722 124.132 118.700 -0.482 0.000 2.699 497 N HA 0.113 4.853 4.740 0.001 0.000 0.232 497 N C -1.740 173.680 175.510 -0.150 0.000 1.027 497 N CA -0.247 52.647 53.050 -0.260 0.000 0.920 497 N CB 0.245 38.625 38.487 -0.178 0.000 1.148 497 N HN 0.551 nan 8.380 nan 0.000 0.509 498 Y N 1.230 121.655 120.300 0.209 0.000 2.436 498 Y HA 0.095 4.645 4.550 0.001 0.000 0.336 498 Y C 1.816 177.784 175.900 0.114 0.000 1.049 498 Y CA -0.106 58.118 58.100 0.207 0.000 1.294 498 Y CB 1.250 39.805 38.460 0.157 0.000 1.179 498 Y HN 0.213 nan 8.280 nan 0.000 0.520 499 K N 2.039 122.573 120.400 0.224 0.000 2.044 499 K HA 0.048 4.368 4.320 0.001 0.000 0.204 499 K C 0.271 176.942 176.600 0.118 0.000 1.045 499 K CA 0.815 57.173 56.287 0.118 0.000 0.951 499 K CB 0.161 32.711 32.500 0.083 0.000 0.738 499 K HN 0.419 nan 8.250 nan 0.000 0.443 500 K N 1.172 121.662 120.400 0.150 0.000 2.166 500 K HA 0.349 4.670 4.320 0.001 0.000 0.245 500 K C -2.558 174.128 176.600 0.144 0.000 0.967 500 K CA -2.314 54.048 56.287 0.125 0.000 0.863 500 K CB 1.214 33.776 32.500 0.103 0.000 1.107 500 K HN -0.060 nan 8.250 nan 0.000 0.436 501 P HA 0.227 nan 4.420 nan 0.000 0.276 501 P C -0.590 176.764 177.300 0.089 0.000 1.252 501 P CA -0.125 63.038 63.100 0.104 0.000 0.802 501 P CB 0.593 32.347 31.700 0.091 0.000 1.035 502 R N -0.866 119.679 120.500 0.075 0.000 3.936 502 R HA -0.179 4.162 4.340 0.001 0.000 0.366 502 R C 1.044 177.379 176.300 0.059 0.000 1.158 502 R CA 0.729 56.859 56.100 0.051 0.000 0.969 502 R CB -2.250 28.074 30.300 0.039 0.000 1.504 502 R HN 0.598 nan 8.270 nan 0.000 0.538 503 Q N -0.560 119.297 119.800 0.095 0.000 2.391 503 Q HA 0.065 4.405 4.340 0.001 0.000 0.211 503 Q C 0.351 176.402 176.000 0.085 0.000 0.908 503 Q CA 0.369 56.252 55.803 0.133 0.000 0.920 503 Q CB 0.461 29.369 28.738 0.283 0.000 1.056 503 Q HN 0.402 nan 8.270 nan 0.000 0.523 504 W N 2.185 123.318 121.300 -0.279 0.000 2.291 504 W HA 0.446 5.106 4.660 0.000 0.000 0.312 504 W C -1.857 174.546 176.519 -0.193 0.000 1.061 504 W CA -0.440 56.642 57.345 -0.437 0.000 1.296 504 W CB 0.328 29.300 29.460 -0.814 0.000 1.223 504 W HN -0.070 nan 8.180 nan 0.000 0.421 505 L N 6.564 127.439 121.223 -0.580 0.000 2.319 505 L HA 0.504 4.844 4.340 0.001 0.000 0.281 505 L C 0.010 176.422 176.870 -0.763 0.000 1.005 505 L CA -0.461 54.093 54.840 -0.477 0.000 0.828 505 L CB 1.427 43.409 42.059 -0.128 0.000 1.227 505 L HN 0.290 nan 8.230 nan 0.000 0.415 506 S N 1.110 116.282 115.700 -0.881 0.000 2.537 506 S HA 0.317 4.788 4.470 0.001 0.000 0.271 506 S C -0.955 173.088 174.600 -0.929 0.000 1.148 506 S CA -0.479 57.143 58.200 -0.963 0.000 0.868 506 S CB 2.170 64.646 63.200 -1.208 0.000 1.115 506 S HN 0.546 nan 8.310 nan 0.000 0.461 507 S N 2.618 117.629 115.700 -1.149 0.000 2.422 507 S HA 0.480 4.950 4.470 0.001 0.000 0.283 507 S C 1.050 175.388 174.600 -0.437 0.000 1.163 507 S CA 0.221 57.889 58.200 -0.886 0.000 1.054 507 S CB -0.035 62.584 63.200 -0.969 0.000 0.967 507 S HN 0.855 nan 8.310 nan 0.000 0.499 508 G N 4.072 112.699 108.800 -0.289 0.000 2.662 508 G HA2 0.200 4.160 3.960 0.001 0.000 0.207 508 G HA3 0.200 4.160 3.960 0.001 0.000 0.207 508 G C 1.252 176.087 174.900 -0.108 0.000 1.154 508 G CA 0.414 45.430 45.100 -0.140 0.000 0.837 508 G HN 0.787 nan 8.290 nan 0.000 0.580 509 G N 0.882 109.620 108.800 -0.103 0.000 2.434 509 G HA2 -0.080 3.881 3.960 0.001 0.000 0.214 509 G HA3 -0.080 3.881 3.960 0.001 0.000 0.214 509 G C 1.716 176.571 174.900 -0.074 0.000 1.202 509 G CA 1.133 46.191 45.100 -0.070 0.000 0.788 509 G HN 0.336 nan 8.290 nan 0.000 0.539 510 L N 0.649 121.819 121.223 -0.089 0.000 2.162 510 L HA 0.354 4.694 4.340 0.001 0.000 0.205 510 L C 1.821 178.634 176.870 -0.095 0.000 1.086 510 L CA 1.596 56.393 54.840 -0.072 0.000 0.778 510 L CB -0.414 41.618 42.059 -0.044 0.000 0.928 510 L HN 0.510 nan 8.230 nan 0.000 0.446 511 G N 0.156 108.866 108.800 -0.149 0.000 2.324 511 G HA2 -0.144 3.817 3.960 0.001 0.000 0.292 511 G HA3 -0.144 3.817 3.960 0.001 0.000 0.292 511 G C 0.271 175.088 174.900 -0.138 0.000 1.079 511 G CA 0.208 45.211 45.100 -0.162 0.000 1.026 511 G HN 0.807 nan 8.290 nan 0.000 0.506 512 A N 1.117 123.835 122.820 -0.169 0.000 2.320 512 A HA 0.779 5.099 4.320 0.001 0.000 0.287 512 A C 0.821 178.344 177.584 -0.102 0.000 1.181 512 A CA -0.088 51.899 52.037 -0.082 0.000 0.831 512 A CB 0.416 19.432 19.000 0.027 0.000 1.102 512 A HN 0.647 nan 8.150 nan 0.000 0.513 513 M N 1.656 121.242 119.600 -0.023 0.000 2.226 513 M HA 0.378 4.858 4.480 0.001 0.000 0.324 513 M C 1.392 177.709 176.300 0.028 0.000 1.112 513 M CA 1.609 56.912 55.300 0.004 0.000 1.176 513 M CB 0.487 33.098 32.600 0.019 0.000 1.430 513 M HN 1.313 nan 8.290 nan 0.000 0.462 514 G N 1.325 110.139 108.800 0.023 0.000 2.160 514 G HA2 -0.295 3.665 3.960 0.001 0.000 0.251 514 G HA3 -0.295 3.665 3.960 0.001 0.000 0.251 514 G C 0.154 175.047 174.900 -0.012 0.000 1.008 514 G CA 0.548 45.659 45.100 0.017 0.000 0.724 514 G HN 0.801 nan 8.290 nan 0.000 0.514 515 F N 0.938 120.682 119.950 -0.344 0.000 2.220 515 F HA 0.312 4.840 4.527 0.001 0.000 0.290 515 F C 2.378 177.990 175.800 -0.314 0.000 1.080 515 F CA 1.950 59.554 58.000 -0.659 0.000 1.318 515 F CB -0.401 38.109 39.000 -0.817 0.000 1.063 515 F HN 0.104 nan 8.300 nan 0.000 0.498 516 G N 1.318 110.119 108.800 0.002 0.000 2.505 516 G HA2 -0.329 3.631 3.960 0.001 0.000 0.220 516 G HA3 -0.329 3.631 3.960 0.001 0.000 0.220 516 G C 1.551 176.391 174.900 -0.100 0.000 1.145 516 G CA 1.375 46.469 45.100 -0.010 0.000 0.761 516 G HN 0.406 nan 8.290 nan 0.000 0.571 517 L N 1.893 123.080 121.223 -0.059 0.000 2.007 517 L HA 0.096 4.437 4.340 0.001 0.000 0.205 517 L C 0.184 176.988 176.870 -0.109 0.000 1.073 517 L CA 1.810 56.630 54.840 -0.034 0.000 0.744 517 L CB -0.902 41.152 42.059 -0.007 0.000 0.898 517 L HN 0.114 nan 8.230 nan 0.000 0.435 518 P HA -0.151 nan 4.420 nan 0.000 0.218 518 P C 1.426 178.561 177.300 -0.275 0.000 1.149 518 P CA 1.964 64.966 63.100 -0.162 0.000 0.817 518 P CB -0.202 31.442 31.700 -0.093 0.000 0.785 519 A N 0.934 123.465 122.820 -0.481 0.000 1.883 519 A HA -0.148 4.173 4.320 0.001 0.000 0.217 519 A C 2.526 179.944 177.584 -0.276 0.000 1.186 519 A CA 2.509 54.197 52.037 -0.583 0.000 0.624 519 A CB -1.631 16.706 19.000 -1.106 0.000 0.822 519 A HN 0.232 nan 8.150 nan 0.000 0.444 520 A N 0.001 122.710 122.820 -0.186 0.000 1.908 520 A HA -0.147 4.173 4.320 0.001 0.000 0.218 520 A C 2.114 179.679 177.584 -0.031 0.000 1.181 520 A CA 1.637 53.630 52.037 -0.074 0.000 0.627 520 A CB -0.701 18.284 19.000 -0.025 0.000 0.818 520 A HN 0.546 nan 8.150 nan 0.000 0.445 521 I N -0.355 120.193 120.570 -0.037 0.000 2.163 521 I HA -0.259 3.912 4.170 0.001 0.000 0.243 521 I C 2.738 178.907 176.117 0.086 0.000 1.085 521 I CA 1.316 62.634 61.300 0.029 0.000 1.347 521 I CB -0.841 37.172 38.000 0.022 0.000 1.044 521 I HN 0.401 nan 8.210 nan 0.000 0.408 522 G N 0.459 109.249 108.800 -0.015 0.000 2.421 522 G HA2 -0.248 3.713 3.960 0.001 0.000 0.216 522 G HA3 -0.248 3.713 3.960 0.001 0.000 0.216 522 G C 1.883 176.878 174.900 0.158 0.000 1.171 522 G CA 0.906 46.074 45.100 0.114 0.000 0.775 522 G HN 0.505 nan 8.290 nan 0.000 0.543 523 A N 0.489 123.326 122.820 0.029 0.000 1.883 523 A HA -0.083 4.237 4.320 0.001 0.000 0.217 523 A C 2.655 180.251 177.584 0.019 0.000 1.186 523 A CA 2.514 54.551 52.037 -0.001 0.000 0.624 523 A CB -0.906 18.082 19.000 -0.020 0.000 0.822 523 A HN 0.415 nan 8.150 nan 0.000 0.444 524 S N -1.057 114.673 115.700 0.051 0.000 2.402 524 S HA -0.077 4.394 4.470 0.001 0.000 0.229 524 S C 1.837 176.487 174.600 0.084 0.000 1.021 524 S CA 1.307 59.543 58.200 0.061 0.000 0.974 524 S CB -0.372 62.868 63.200 0.067 0.000 0.800 524 S HN 0.288 nan 8.310 nan 0.000 0.484 525 V N 1.673 121.678 119.914 0.151 0.000 2.453 525 V HA -0.036 4.085 4.120 0.001 0.000 0.247 525 V C 2.660 178.835 176.094 0.135 0.000 1.048 525 V CA 1.594 64.011 62.300 0.195 0.000 1.049 525 V CB -0.975 31.054 31.823 0.343 0.000 0.672 525 V HN 0.565 nan 8.190 nan 0.000 0.457 526 A N -0.214 122.613 122.820 0.013 0.000 2.016 526 A HA -0.015 4.305 4.320 0.001 0.000 0.217 526 A C 1.139 178.651 177.584 -0.119 0.000 1.162 526 A CA 0.927 52.809 52.037 -0.258 0.000 0.662 526 A CB -0.154 18.467 19.000 -0.632 0.000 0.812 526 A HN 0.588 nan 8.150 nan 0.000 0.450 527 N N -0.207 118.466 118.700 -0.045 0.000 2.841 527 N HA 0.224 4.964 4.740 0.001 0.000 0.257 527 N C -2.590 172.928 175.510 0.014 0.000 1.396 527 N CA -0.968 52.072 53.050 -0.016 0.000 0.823 527 N CB 1.212 39.691 38.487 -0.013 0.000 1.162 527 N HN 0.089 nan 8.380 nan 0.000 0.503 528 P HA -0.000 nan 4.420 nan 0.000 0.226 528 P C 0.358 177.677 177.300 0.032 0.000 1.153 528 P CA 1.089 64.209 63.100 0.034 0.000 0.777 528 P CB 0.501 32.221 31.700 0.034 0.000 0.794 529 D N -1.567 118.850 120.400 0.028 0.000 2.433 529 D HA 0.205 4.845 4.640 0.001 0.000 0.211 529 D C 0.678 176.997 176.300 0.032 0.000 1.114 529 D CA 0.059 54.077 54.000 0.028 0.000 0.837 529 D CB 0.532 41.347 40.800 0.025 0.000 0.984 529 D HN 0.064 nan 8.370 nan 0.000 0.505 530 A N 0.599 123.439 122.820 0.033 0.000 2.295 530 A HA 0.562 4.883 4.320 0.001 0.000 0.318 530 A C 0.108 177.719 177.584 0.044 0.000 1.134 530 A CA -0.509 51.551 52.037 0.040 0.000 0.827 530 A CB 0.760 19.784 19.000 0.040 0.000 1.136 530 A HN 0.039 nan 8.150 nan 0.000 0.493 531 I N 1.429 122.030 120.570 0.051 0.000 2.517 531 I HA 0.187 4.357 4.170 0.001 0.000 0.285 531 I C -0.576 175.574 176.117 0.054 0.000 1.106 531 I CA 0.268 61.600 61.300 0.053 0.000 1.402 531 I CB 0.810 38.847 38.000 0.062 0.000 1.399 531 I HN 0.213 nan 8.210 nan 0.000 0.535 532 V N 7.841 127.784 119.914 0.049 0.000 2.378 532 V HA 0.385 4.505 4.120 0.001 0.000 0.288 532 V C -0.144 175.978 176.094 0.047 0.000 1.016 532 V CA -0.602 61.724 62.300 0.043 0.000 0.840 532 V CB 1.749 33.594 31.823 0.037 0.000 0.994 532 V HN 0.388 nan 8.190 nan 0.000 0.431 533 V N 3.590 123.530 119.914 0.043 0.000 2.487 533 V HA 0.421 4.542 4.120 0.001 0.000 0.298 533 V C -0.604 175.521 176.094 0.052 0.000 1.028 533 V CA -0.602 61.729 62.300 0.052 0.000 0.860 533 V CB 2.146 34.005 31.823 0.059 0.000 0.991 533 V HN 0.940 nan 8.190 nan 0.000 0.427 534 D N 4.831 125.267 120.400 0.061 0.000 2.443 534 D HA 0.319 4.959 4.640 0.001 0.000 0.221 534 D C -0.074 176.282 176.300 0.093 0.000 1.097 534 D CA -0.248 53.794 54.000 0.071 0.000 0.865 534 D CB 0.617 41.461 40.800 0.073 0.000 1.034 534 D HN 0.468 nan 8.370 nan 0.000 0.511 535 I N 3.650 124.301 120.570 0.135 0.000 2.311 535 I HA 0.147 4.317 4.170 0.001 0.000 0.297 535 I C 0.369 176.648 176.117 0.269 0.000 1.131 535 I CA -0.053 61.363 61.300 0.194 0.000 1.289 535 I CB 0.202 38.359 38.000 0.262 0.000 1.446 535 I HN 0.305 nan 8.210 nan 0.000 0.524 536 D N 4.311 124.766 120.400 0.093 0.000 2.350 536 D HA 0.591 5.231 4.640 0.001 0.000 0.238 536 D C -0.137 175.855 176.300 -0.514 0.000 0.989 536 D CA -0.222 53.736 54.000 -0.069 0.000 0.921 536 D CB 2.489 43.320 40.800 0.052 0.000 1.297 536 D HN 0.481 nan 8.370 nan 0.000 0.490 537 G N -0.099 108.162 108.800 -0.899 0.000 2.441 537 G HA2 0.259 4.219 3.960 0.001 0.000 0.334 537 G HA3 0.259 4.219 3.960 0.001 0.000 0.334 537 G C 0.793 175.597 174.900 -0.160 0.000 1.161 537 G CA -0.487 44.251 45.100 -0.605 0.000 0.935 537 G HN 0.517 nan 8.290 nan 0.000 0.488 538 D N 0.584 120.947 120.400 -0.062 0.000 2.178 538 D HA -0.101 4.539 4.640 0.001 0.000 0.201 538 D C 2.053 178.377 176.300 0.040 0.000 0.980 538 D CA 1.286 55.299 54.000 0.022 0.000 0.842 538 D CB -0.628 40.181 40.800 0.015 0.000 0.948 538 D HN 0.474 nan 8.370 nan 0.000 0.472 539 G N 0.565 109.378 108.800 0.022 0.000 2.433 539 G HA2 -0.244 3.716 3.960 0.001 0.000 0.216 539 G HA3 -0.244 3.716 3.960 0.001 0.000 0.216 539 G C 1.868 176.778 174.900 0.017 0.000 1.186 539 G CA 1.203 46.315 45.100 0.020 0.000 0.779 539 G HN 0.372 nan 8.290 nan 0.000 0.543 540 S N 0.313 116.036 115.700 0.038 0.000 2.371 540 S HA -0.031 4.439 4.470 0.001 0.000 0.224 540 S C 1.893 176.510 174.600 0.028 0.000 1.029 540 S CA 0.894 59.121 58.200 0.046 0.000 0.978 540 S CB -0.376 62.890 63.200 0.109 0.000 0.833 540 S HN 0.370 nan 8.310 nan 0.000 0.466 541 F N 2.270 122.157 119.950 -0.105 0.000 2.095 541 F HA -0.095 4.432 4.527 0.000 0.000 0.298 541 F C 1.954 177.646 175.800 -0.180 0.000 1.104 541 F CA 1.150 59.073 58.000 -0.128 0.000 1.232 541 F CB -0.439 38.482 39.000 -0.131 0.000 0.987 541 F HN 0.128 nan 8.300 nan 0.000 0.475 542 I N -0.145 120.287 120.570 -0.231 0.000 2.361 542 I HA -0.349 3.821 4.170 0.001 0.000 0.251 542 I C 2.253 178.144 176.117 -0.376 0.000 1.133 542 I CA 1.194 62.247 61.300 -0.413 0.000 1.413 542 I CB -0.161 37.697 38.000 -0.236 0.000 1.073 542 I HN 0.251 nan 8.210 nan 0.000 0.424 543 M N -0.110 119.345 119.600 -0.241 0.000 2.144 543 M HA -0.223 4.257 4.480 0.001 0.000 0.260 543 M C 0.542 176.693 176.300 -0.249 0.000 1.067 543 M CA 1.559 56.742 55.300 -0.195 0.000 1.095 543 M CB -0.410 32.124 32.600 -0.110 0.000 1.365 543 M HN 0.241 nan 8.290 nan 0.000 0.406 544 N N -0.147 118.377 118.700 -0.293 0.000 2.497 544 N HA 0.124 4.865 4.740 0.001 0.000 0.284 544 N C 0.673 175.942 175.510 -0.402 0.000 1.459 544 N CA 0.050 52.927 53.050 -0.289 0.000 0.899 544 N CB 1.010 39.393 38.487 -0.173 0.000 1.316 544 N HN 0.027 nan 8.380 nan 0.000 0.500 545 V N 1.438 121.013 119.914 -0.565 0.000 2.594 545 V HA -0.200 3.920 4.120 0.001 0.000 0.253 545 V C 2.505 178.357 176.094 -0.403 0.000 1.069 545 V CA 1.758 63.613 62.300 -0.742 0.000 1.082 545 V CB -0.078 31.136 31.823 -1.015 0.000 0.680 545 V HN 0.445 nan 8.190 nan 0.000 0.469 546 Q N -0.355 119.286 119.800 -0.265 0.000 2.297 546 Q HA -0.223 4.117 4.340 0.001 0.000 0.208 546 Q C 1.453 177.406 176.000 -0.078 0.000 0.981 546 Q CA 1.716 57.445 55.803 -0.124 0.000 0.876 546 Q CB -0.587 28.111 28.738 -0.068 0.000 0.921 546 Q HN 0.627 nan 8.270 nan 0.000 0.446 547 E N 0.895 121.029 120.200 -0.110 0.000 2.511 547 E HA 0.063 4.413 4.350 0.001 0.000 0.196 547 E C 2.070 178.655 176.600 -0.025 0.000 1.066 547 E CA 0.114 56.483 56.400 -0.051 0.000 0.871 547 E CB -0.147 29.515 29.700 -0.063 0.000 0.863 547 E HN 0.442 nan 8.360 nan 0.000 0.520 548 L N 0.335 121.532 121.223 -0.043 0.000 2.131 548 L HA -0.142 4.199 4.340 0.001 0.000 0.210 548 L C 2.442 179.333 176.870 0.035 0.000 1.092 548 L CA 0.979 55.828 54.840 0.016 0.000 0.759 548 L CB -0.545 41.536 42.059 0.036 0.000 0.903 548 L HN 0.075 nan 8.230 nan 0.000 0.435 549 A N -0.093 122.744 122.820 0.028 0.000 1.908 549 A HA -0.235 4.085 4.320 0.001 0.000 0.218 549 A C 2.373 179.986 177.584 0.048 0.000 1.181 549 A CA 2.527 54.588 52.037 0.041 0.000 0.627 549 A CB -0.932 18.094 19.000 0.042 0.000 0.818 549 A HN 0.389 nan 8.150 nan 0.000 0.445 550 T N 0.289 114.874 114.554 0.052 0.000 2.674 550 T HA -0.105 4.245 4.350 0.001 0.000 0.265 550 T C 1.825 176.566 174.700 0.068 0.000 1.039 550 T CA 1.496 63.636 62.100 0.068 0.000 1.150 550 T CB -0.455 68.460 68.868 0.079 0.000 0.864 550 T HN 0.416 nan 8.240 nan 0.000 0.427 551 I N 0.960 121.567 120.570 0.062 0.000 2.118 551 I HA -0.270 3.901 4.170 0.001 0.000 0.241 551 I C 2.812 178.967 176.117 0.063 0.000 1.070 551 I CA 1.448 62.788 61.300 0.067 0.000 1.327 551 I CB -0.313 37.728 38.000 0.068 0.000 1.034 551 I HN 0.101 nan 8.210 nan 0.000 0.405 552 R N 1.157 121.691 120.500 0.057 0.000 2.070 552 R HA -0.115 4.226 4.340 0.001 0.000 0.232 552 R C 2.071 178.399 176.300 0.047 0.000 1.138 552 R CA 1.939 58.069 56.100 0.051 0.000 0.936 552 R CB -1.214 29.113 30.300 0.045 0.000 0.839 552 R HN 0.176 nan 8.270 nan 0.000 0.429 553 V N 1.622 121.563 119.914 0.046 0.000 2.392 553 V HA -0.166 3.954 4.120 0.001 0.000 0.249 553 V C 1.726 177.846 176.094 0.043 0.000 1.059 553 V CA 2.137 64.461 62.300 0.041 0.000 1.051 553 V CB -0.490 31.357 31.823 0.040 0.000 0.658 553 V HN 0.385 nan 8.190 nan 0.000 0.455 554 E N -0.412 119.821 120.200 0.054 0.000 2.502 554 E HA 0.016 4.366 4.350 0.001 0.000 0.194 554 E C 0.353 176.986 176.600 0.056 0.000 1.062 554 E CA -0.149 56.285 56.400 0.057 0.000 0.867 554 E CB -0.373 29.373 29.700 0.078 0.000 0.888 554 E HN 0.593 nan 8.360 nan 0.000 0.510 555 N N 0.884 119.615 118.700 0.052 0.000 2.714 555 N HA -0.212 4.528 4.740 0.001 0.000 0.252 555 N C -0.708 174.836 175.510 0.057 0.000 1.014 555 N CA 0.678 53.758 53.050 0.051 0.000 0.735 555 N CB -1.351 37.161 38.487 0.042 0.000 0.924 555 N HN 0.232 nan 8.380 nan 0.000 0.540 556 L N 0.951 122.213 121.223 0.065 0.000 2.307 556 L HA 0.366 4.707 4.340 0.001 0.000 0.282 556 L C -1.391 175.521 176.870 0.070 0.000 1.051 556 L CA -1.650 53.231 54.840 0.070 0.000 0.804 556 L CB 1.289 43.396 42.059 0.080 0.000 1.197 556 L HN -0.121 nan 8.230 nan 0.000 0.431 557 P HA 0.055 nan 4.420 nan 0.000 0.226 557 P C -0.220 177.124 177.300 0.075 0.000 1.758 557 P CA -0.073 63.069 63.100 0.071 0.000 0.896 557 P CB -0.045 31.691 31.700 0.060 0.000 1.784 558 V N 2.560 122.522 119.914 0.079 0.000 2.479 558 V HA 0.044 4.164 4.120 0.001 0.000 0.281 558 V C 0.966 177.119 176.094 0.098 0.000 1.031 558 V CA 0.223 62.571 62.300 0.079 0.000 1.038 558 V CB 0.209 32.077 31.823 0.076 0.000 0.981 558 V HN 0.162 nan 8.190 nan 0.000 0.478 559 K N 4.646 125.101 120.400 0.090 0.000 2.211 559 K HA 0.515 4.836 4.320 0.001 0.000 0.275 559 K C -0.798 175.858 176.600 0.093 0.000 1.024 559 K CA -0.526 55.825 56.287 0.107 0.000 0.887 559 K CB 1.922 34.467 32.500 0.074 0.000 1.084 559 K HN 0.390 nan 8.250 nan 0.000 0.463 560 V N 4.239 124.214 119.914 0.101 0.000 2.334 560 V HA 0.208 4.328 4.120 0.001 0.000 0.281 560 V C -0.293 175.808 176.094 0.012 0.000 1.016 560 V CA -0.932 61.394 62.300 0.044 0.000 0.832 560 V CB 1.161 32.987 31.823 0.005 0.000 0.999 560 V HN 0.534 nan 8.190 nan 0.000 0.439 561 L N 6.708 127.940 121.223 0.015 0.000 2.315 561 L HA 0.505 4.846 4.340 0.001 0.000 0.278 561 L C -0.462 176.388 176.870 -0.034 0.000 1.088 561 L CA -0.204 54.643 54.840 0.011 0.000 0.899 561 L CB 0.863 42.953 42.059 0.051 0.000 1.277 561 L HN 0.623 nan 8.230 nan 0.000 0.431 562 L N 5.721 126.875 121.223 -0.114 0.000 2.283 562 L HA 0.339 4.679 4.340 0.001 0.000 0.287 562 L C -0.580 176.239 176.870 -0.086 0.000 1.073 562 L CA 0.129 54.857 54.840 -0.187 0.000 0.822 562 L CB 0.517 42.352 42.059 -0.374 0.000 1.186 562 L HN 0.463 nan 8.230 nan 0.000 0.436 563 L N 5.576 126.771 121.223 -0.046 0.000 2.356 563 L HA 0.263 4.603 4.340 0.001 0.000 0.282 563 L C 0.315 177.204 176.870 0.032 0.000 1.132 563 L CA -0.172 54.688 54.840 0.035 0.000 0.923 563 L CB -0.392 41.754 42.059 0.144 0.000 1.278 563 L HN 0.605 nan 8.230 nan 0.000 0.436 564 N N 3.418 122.136 118.700 0.031 0.000 2.439 564 N HA 0.029 4.769 4.740 0.001 0.000 0.243 564 N C 0.325 175.907 175.510 0.119 0.000 1.088 564 N CA -0.139 52.940 53.050 0.048 0.000 0.940 564 N CB 0.637 39.137 38.487 0.022 0.000 1.180 564 N HN 0.514 nan 8.380 nan 0.000 0.505 565 N N 2.579 121.381 118.700 0.169 0.000 2.235 565 N HA 0.029 4.769 4.740 0.001 0.000 0.231 565 N C -0.295 175.427 175.510 0.353 0.000 1.177 565 N CA -0.082 53.130 53.050 0.270 0.000 0.874 565 N CB 0.270 38.947 38.487 0.316 0.000 1.097 565 N HN 0.273 nan 8.380 nan 0.000 0.518 566 Q N -1.077 118.844 119.800 0.200 0.000 2.348 566 Q HA -0.242 4.099 4.340 0.001 0.000 0.221 566 Q C -0.925 174.992 176.000 -0.139 0.000 0.735 566 Q CA 1.531 57.370 55.803 0.059 0.000 1.351 566 Q CB -2.303 26.532 28.738 0.162 0.000 1.640 566 Q HN 0.790 nan 8.270 nan 0.000 0.667 567 H N -1.601 117.542 119.070 0.123 0.000 2.928 567 H HA 0.525 5.081 4.556 0.000 0.000 0.371 567 H C 0.017 175.412 175.328 0.112 0.000 1.186 567 H CA -0.837 55.293 56.048 0.138 0.000 1.134 567 H CB 0.957 30.837 29.762 0.198 0.000 1.824 567 H HN -0.041 nan 8.280 nan 0.000 0.554 568 L N 2.590 123.953 121.223 0.232 0.000 2.415 568 L HA 0.133 4.473 4.340 0.001 0.000 0.269 568 L C 1.512 178.498 176.870 0.193 0.000 1.244 568 L CA -0.056 54.886 54.840 0.170 0.000 1.113 568 L CB -0.211 41.921 42.059 0.123 0.000 1.352 568 L HN 0.963 nan 8.230 nan 0.000 0.433 569 G N 1.991 110.910 108.800 0.198 0.000 2.446 569 G HA2 -0.338 3.623 3.960 0.001 0.000 0.217 569 G HA3 -0.338 3.623 3.960 0.001 0.000 0.217 569 G C 1.407 176.373 174.900 0.109 0.000 1.168 569 G CA 0.585 45.791 45.100 0.176 0.000 0.771 569 G HN 0.521 nan 8.290 nan 0.000 0.551 570 M N 0.625 120.268 119.600 0.072 0.000 2.117 570 M HA -0.019 4.461 4.480 0.001 0.000 0.262 570 M C 2.487 178.865 176.300 0.129 0.000 1.065 570 M CA 1.197 56.534 55.300 0.062 0.000 1.114 570 M CB -0.342 32.259 32.600 0.003 0.000 1.361 570 M HN 0.053 nan 8.290 nan 0.000 0.408 571 V N -0.136 119.837 119.914 0.097 0.000 2.427 571 V HA -0.261 3.859 4.120 0.001 0.000 0.248 571 V C 2.516 178.736 176.094 0.211 0.000 1.051 571 V CA 1.944 64.314 62.300 0.117 0.000 1.048 571 V CB -0.967 30.901 31.823 0.074 0.000 0.666 571 V HN 0.636 nan 8.190 nan 0.000 0.456 572 M N -0.010 119.702 119.600 0.186 0.000 2.159 572 M HA -0.259 4.221 4.480 0.001 0.000 0.263 572 M C 2.345 178.749 176.300 0.173 0.000 1.063 572 M CA 2.106 57.516 55.300 0.184 0.000 1.110 572 M CB -0.219 32.479 32.600 0.163 0.000 1.374 572 M HN 0.456 nan 8.290 nan 0.000 0.411 573 Q N -0.497 119.364 119.800 0.100 0.000 2.050 573 Q HA -0.233 4.108 4.340 0.001 0.000 0.202 573 Q C 1.680 177.724 176.000 0.073 0.000 0.980 573 Q CA 2.391 58.101 55.803 -0.154 0.000 0.840 573 Q CB -0.308 28.260 28.738 -0.282 0.000 0.898 573 Q HN 0.673 nan 8.270 nan 0.000 0.424 574 W N 1.062 122.423 121.300 0.103 0.000 2.388 574 W HA -0.076 4.584 4.660 0.000 0.000 0.294 574 W C 2.102 178.864 176.519 0.405 0.000 1.212 574 W CA 1.214 58.763 57.345 0.340 0.000 1.271 574 W CB -0.199 29.485 29.460 0.374 0.000 1.126 574 W HN 0.338 nan 8.180 nan 0.000 0.535 575 E N 0.008 120.524 120.200 0.526 0.000 2.085 575 E HA -0.222 4.129 4.350 0.001 0.000 0.194 575 E C 1.664 178.443 176.600 0.298 0.000 0.994 575 E CA 1.663 58.332 56.400 0.448 0.000 0.801 575 E CB -0.114 29.748 29.700 0.270 0.000 0.743 575 E HN 0.090 nan 8.360 nan 0.000 0.453 576 D N -0.446 120.073 120.400 0.199 0.000 2.178 576 D HA -0.099 4.541 4.640 0.001 0.000 0.202 576 D C 1.675 177.968 176.300 -0.012 0.000 0.974 576 D CA 0.952 55.030 54.000 0.129 0.000 0.841 576 D CB 0.022 40.969 40.800 0.246 0.000 0.953 576 D HN 0.116 nan 8.370 nan 0.000 0.478 577 R N -1.285 119.098 120.500 -0.195 0.000 2.308 577 R HA 0.174 4.515 4.340 0.001 0.000 0.202 577 R C 0.977 176.717 176.300 -0.933 0.000 0.898 577 R CA 0.158 55.880 56.100 -0.629 0.000 1.046 577 R CB 0.435 30.153 30.300 -0.970 0.000 1.026 577 R HN 0.218 nan 8.270 nan 0.000 0.512 578 F N -2.608 117.259 119.950 -0.139 0.000 2.834 578 F HA 0.210 4.737 4.527 0.000 0.000 0.332 578 F C 0.237 175.703 175.800 -0.557 0.000 1.056 578 F CA -0.378 57.391 58.000 -0.385 0.000 1.178 578 F CB 0.723 39.408 39.000 -0.525 0.000 1.037 578 F HN -0.141 nan 8.300 nan 0.000 0.580 579 Y N 0.291 120.705 120.300 0.189 0.000 2.634 579 Y HA 0.363 4.913 4.550 0.000 0.000 0.292 579 Y C 0.191 176.139 175.900 0.079 0.000 0.996 579 Y CA -1.448 56.734 58.100 0.136 0.000 1.165 579 Y CB 0.067 38.617 38.460 0.150 0.000 1.194 579 Y HN -0.202 nan 8.280 nan 0.000 0.585 580 K N 0.950 121.420 120.400 0.117 0.000 3.003 580 K HA -0.260 4.061 4.320 0.001 0.000 0.257 580 K C 0.815 177.466 176.600 0.084 0.000 0.958 580 K CA 0.863 57.193 56.287 0.073 0.000 0.707 580 K CB -1.531 31.008 32.500 0.065 0.000 1.279 580 K HN 0.722 nan 8.250 nan 0.000 0.479 581 A N -1.195 121.689 122.820 0.106 0.000 2.816 581 A HA -0.336 3.985 4.320 0.001 0.000 0.270 581 A C 0.279 177.922 177.584 0.098 0.000 1.413 581 A CA 1.210 53.309 52.037 0.103 0.000 0.866 581 A CB -1.985 17.054 19.000 0.066 0.000 1.032 581 A HN 0.690 nan 8.150 nan 0.000 0.642 582 N N 0.794 119.563 118.700 0.116 0.000 2.399 582 N HA 0.245 4.985 4.740 0.001 0.000 0.259 582 N C 0.258 175.796 175.510 0.046 0.000 1.160 582 N CA -0.270 52.825 53.050 0.075 0.000 0.946 582 N CB 0.290 38.826 38.487 0.082 0.000 1.156 582 N HN 0.310 nan 8.380 nan 0.000 0.489 583 R N 2.695 123.212 120.500 0.028 0.000 2.446 583 R HA 0.133 4.473 4.340 0.001 0.000 0.314 583 R C -0.520 175.723 176.300 -0.096 0.000 1.003 583 R CA -0.039 56.069 56.100 0.014 0.000 1.018 583 R CB 0.120 30.445 30.300 0.043 0.000 0.945 583 R HN 0.581 nan 8.270 nan 0.000 0.419 584 A N 4.925 127.655 122.820 -0.149 0.000 2.802 584 A HA 0.276 4.596 4.320 0.001 0.000 0.344 584 A C -0.342 177.018 177.584 -0.373 0.000 1.215 584 A CA -0.652 51.127 52.037 -0.430 0.000 0.821 584 A CB -0.124 18.693 19.000 -0.304 0.000 1.099 584 A HN 0.883 nan 8.150 nan 0.000 0.479 585 H N 0.951 120.062 119.070 0.069 0.000 2.826 585 H HA -0.165 4.391 4.556 0.000 0.000 0.306 585 H C 0.958 176.339 175.328 0.089 0.000 1.235 585 H CA 1.363 57.454 56.048 0.071 0.000 1.150 585 H CB -2.365 27.419 29.762 0.037 0.000 1.409 585 H HN 0.840 nan 8.280 nan 0.000 0.420 586 T N -4.048 110.620 114.554 0.190 0.000 3.001 586 T HA 0.153 4.504 4.350 0.001 0.000 0.251 586 T C 0.457 175.313 174.700 0.260 0.000 1.040 586 T CA -0.266 61.965 62.100 0.219 0.000 0.985 586 T CB 0.293 69.303 68.868 0.236 0.000 1.011 586 T HN 0.179 nan 8.240 nan 0.000 0.509 587 F N 2.386 122.359 119.950 0.038 0.000 2.438 587 F HA 0.526 5.053 4.527 0.001 0.000 0.356 587 F C 0.591 176.305 175.800 -0.143 0.000 1.099 587 F CA -1.996 55.865 58.000 -0.232 0.000 1.185 587 F CB 0.674 39.560 39.000 -0.191 0.000 1.115 587 F HN -0.079 nan 8.300 nan 0.000 0.526 588 L N 5.366 126.089 121.223 -0.834 0.000 2.590 588 L HA 0.279 4.619 4.340 0.001 0.000 0.227 588 L C 1.518 177.995 176.870 -0.654 0.000 1.099 588 L CA 0.185 54.700 54.840 -0.542 0.000 0.872 588 L CB -0.562 41.346 42.059 -0.250 0.000 1.088 588 L HN 0.780 nan 8.230 nan 0.000 0.479 589 G N -0.918 106.984 108.800 -1.498 0.000 2.494 589 G HA2 0.049 4.010 3.960 0.001 0.000 0.270 589 G HA3 0.049 4.010 3.960 0.001 0.000 0.270 589 G C -1.067 173.554 174.900 -0.465 0.000 1.423 589 G CA -0.234 44.424 45.100 -0.737 0.000 1.055 589 G HN -0.024 nan 8.290 nan 0.000 0.536 590 D N -0.758 119.532 120.400 -0.183 0.000 2.392 590 D HA 0.378 5.018 4.640 0.001 0.000 0.228 590 D C -1.572 174.774 176.300 0.077 0.000 1.074 590 D CA -2.163 51.679 54.000 -0.263 0.000 0.838 590 D CB 1.837 42.224 40.800 -0.688 0.000 1.067 590 D HN -0.128 nan 8.370 nan 0.000 0.511 591 P HA -0.059 nan 4.420 nan 0.000 0.223 591 P C 0.744 178.057 177.300 0.022 0.000 1.144 591 P CA 0.804 63.974 63.100 0.116 0.000 0.783 591 P CB 0.368 32.122 31.700 0.090 0.000 0.771 592 A N 0.532 123.340 122.820 -0.021 0.000 1.855 592 A HA -0.140 4.180 4.320 0.001 0.000 0.213 592 A C 1.464 179.036 177.584 -0.020 0.000 1.195 592 A CA 0.943 52.961 52.037 -0.031 0.000 0.610 592 A CB -0.953 18.013 19.000 -0.057 0.000 0.837 592 A HN 0.328 nan 8.150 nan 0.000 0.444 593 Q N -0.808 118.976 119.800 -0.027 0.000 2.916 593 Q HA 0.532 4.872 4.340 0.001 0.000 0.314 593 Q C 0.369 176.398 176.000 0.048 0.000 1.194 593 Q CA 0.393 56.197 55.803 0.003 0.000 1.079 593 Q CB 0.019 28.753 28.738 -0.006 0.000 1.322 593 Q HN 0.494 nan 8.270 nan 0.000 0.500 594 E N 1.663 121.894 120.200 0.051 0.000 2.401 594 E HA -0.189 4.161 4.350 0.001 0.000 0.199 594 E C 0.754 177.416 176.600 0.104 0.000 1.023 594 E CA 1.573 58.021 56.400 0.079 0.000 0.859 594 E CB -0.267 29.414 29.700 -0.030 0.000 0.780 594 E HN 0.550 nan 8.360 nan 0.000 0.523 595 D N -0.431 120.021 120.400 0.085 0.000 2.392 595 D HA 0.058 4.699 4.640 0.001 0.000 0.206 595 D C 0.142 176.508 176.300 0.110 0.000 1.046 595 D CA -0.067 53.989 54.000 0.093 0.000 0.865 595 D CB 0.339 41.176 40.800 0.062 0.000 0.969 595 D HN 0.352 nan 8.370 nan 0.000 0.509 596 E N 1.243 121.510 120.200 0.112 0.000 2.316 596 E HA 0.065 4.415 4.350 0.001 0.000 0.275 596 E C 0.468 177.168 176.600 0.166 0.000 1.029 596 E CA -0.345 56.128 56.400 0.121 0.000 0.871 596 E CB 1.470 31.235 29.700 0.107 0.000 1.022 596 E HN 0.057 nan 8.360 nan 0.000 0.418 597 I N 4.320 124.976 120.570 0.144 0.000 2.664 597 I HA -0.035 4.136 4.170 0.001 0.000 0.284 597 I C 0.164 176.392 176.117 0.185 0.000 1.154 597 I CA 0.634 62.020 61.300 0.144 0.000 1.402 597 I CB -1.112 36.945 38.000 0.095 0.000 1.395 597 I HN 0.371 nan 8.210 nan 0.000 0.545 598 F N 9.597 129.553 119.950 0.010 0.000 2.569 598 F HA 0.623 5.150 4.527 0.001 0.000 0.312 598 F C -2.398 173.389 175.800 -0.020 0.000 1.109 598 F CA -1.789 56.205 58.000 -0.009 0.000 0.919 598 F CB 2.143 41.127 39.000 -0.026 0.000 1.211 598 F HN 0.264 nan 8.300 nan 0.000 0.446 599 P HA 0.097 nan 4.420 nan 0.000 0.279 599 P C -1.165 175.949 177.300 -0.309 0.000 1.282 599 P CA -0.389 62.088 63.100 -1.039 0.000 0.788 599 P CB 0.610 31.799 31.700 -0.851 0.000 1.139 600 N N 1.030 119.565 118.700 -0.275 0.000 2.482 600 N HA 0.075 4.815 4.740 0.001 0.000 0.242 600 N C 1.058 176.524 175.510 -0.073 0.000 1.100 600 N CA -0.091 52.882 53.050 -0.130 0.000 0.946 600 N CB -0.120 38.293 38.487 -0.123 0.000 1.227 600 N HN 0.168 nan 8.380 nan 0.000 0.508 601 M N 2.895 122.540 119.600 0.075 0.000 2.296 601 M HA -0.076 4.405 4.480 0.001 0.000 0.265 601 M C 1.573 177.969 176.300 0.160 0.000 1.064 601 M CA 0.860 56.312 55.300 0.254 0.000 1.109 601 M CB -0.580 32.096 32.600 0.126 0.000 1.396 601 M HN 0.508 nan 8.290 nan 0.000 0.430 602 L N -0.636 120.607 121.223 0.034 0.000 2.083 602 L HA -0.205 4.135 4.340 0.001 0.000 0.209 602 L C 2.322 179.188 176.870 -0.006 0.000 1.083 602 L CA 1.023 55.862 54.840 -0.002 0.000 0.752 602 L CB -0.862 41.180 42.059 -0.029 0.000 0.899 602 L HN 0.255 nan 8.230 nan 0.000 0.433 603 L N -1.450 119.736 121.223 -0.061 0.000 2.217 603 L HA -0.141 4.199 4.340 0.001 0.000 0.211 603 L C 2.492 179.294 176.870 -0.114 0.000 1.107 603 L CA 1.027 55.794 54.840 -0.122 0.000 0.783 603 L CB -0.397 41.540 42.059 -0.204 0.000 0.919 603 L HN 0.124 nan 8.230 nan 0.000 0.442 604 F N 0.115 120.065 119.950 0.001 0.000 2.102 604 F HA -0.252 4.275 4.527 0.000 0.000 0.298 604 F C 2.654 178.472 175.800 0.030 0.000 1.105 604 F CA 1.104 59.115 58.000 0.018 0.000 1.239 604 F CB -0.369 38.669 39.000 0.063 0.000 0.991 604 F HN 0.040 nan 8.300 nan 0.000 0.474 605 A N -0.088 122.871 122.820 0.231 0.000 1.933 605 A HA -0.084 4.236 4.320 0.001 0.000 0.218 605 A C 2.306 179.924 177.584 0.057 0.000 1.175 605 A CA 1.597 53.710 52.037 0.126 0.000 0.628 605 A CB -1.158 17.880 19.000 0.064 0.000 0.814 605 A HN 0.328 nan 8.150 nan 0.000 0.444 606 A N -0.124 122.713 122.820 0.028 0.000 1.930 606 A HA 0.229 4.549 4.320 0.001 0.000 0.217 606 A C 2.470 180.062 177.584 0.013 0.000 1.175 606 A CA 1.757 53.795 52.037 0.001 0.000 0.627 606 A CB -0.980 18.008 19.000 -0.020 0.000 0.815 606 A HN 1.074 nan 8.150 nan 0.000 0.443 607 A N -1.187 121.648 122.820 0.025 0.000 1.986 607 A HA -0.210 4.111 4.320 0.001 0.000 0.220 607 A C 1.850 179.460 177.584 0.044 0.000 1.171 607 A CA 1.801 53.857 52.037 0.032 0.000 0.640 607 A CB -1.000 18.032 19.000 0.054 0.000 0.811 607 A HN 0.636 nan 8.150 nan 0.000 0.451 608 C N -1.084 118.250 119.300 0.056 0.000 2.778 608 C HA 0.517 4.978 4.460 0.001 0.000 0.294 608 C C 1.639 176.651 174.990 0.037 0.000 1.331 608 C CA -0.361 58.687 59.018 0.050 0.000 1.741 608 C CB -1.153 26.624 27.740 0.062 0.000 2.106 608 C HN 1.100 nan 8.230 nan 0.000 0.603 609 G N 1.991 110.807 108.800 0.026 0.000 2.323 609 G HA2 -0.263 3.697 3.960 0.001 0.000 0.292 609 G HA3 -0.263 3.697 3.960 0.001 0.000 0.292 609 G C -0.280 174.628 174.900 0.012 0.000 1.040 609 G CA 0.067 45.176 45.100 0.015 0.000 0.942 609 G HN 0.642 nan 8.290 nan 0.000 0.506 610 I N 0.665 121.238 120.570 0.005 0.000 2.362 610 I HA 0.290 4.461 4.170 0.001 0.000 0.289 610 I C -1.997 174.070 176.117 -0.083 0.000 0.994 610 I CA -2.618 58.675 61.300 -0.012 0.000 1.158 610 I CB 2.025 40.036 38.000 0.018 0.000 1.315 610 I HN -0.128 nan 8.210 nan 0.000 0.451 611 P HA 0.149 nan 4.420 nan 0.000 0.264 611 P C -0.917 176.047 177.300 -0.560 0.000 1.183 611 P CA 0.031 62.974 63.100 -0.262 0.000 0.763 611 P CB 0.664 32.247 31.700 -0.195 0.000 0.807 612 A N 1.877 124.403 122.820 -0.490 0.000 2.574 612 A HA 0.811 5.132 4.320 0.001 0.000 0.297 612 A C -1.435 175.991 177.584 -0.264 0.000 1.062 612 A CA -0.343 51.417 52.037 -0.460 0.000 0.686 612 A CB 1.706 20.580 19.000 -0.210 0.000 1.285 612 A HN 0.538 nan 8.150 nan 0.000 0.403 613 A N 0.823 123.559 122.820 -0.139 0.000 2.539 613 A HA 0.907 5.227 4.320 0.001 0.000 0.296 613 A C -0.575 177.031 177.584 0.038 0.000 1.073 613 A CA -0.629 51.418 52.037 0.016 0.000 0.700 613 A CB 1.461 20.547 19.000 0.143 0.000 1.296 613 A HN 1.340 nan 8.150 nan 0.000 0.405 614 R N 0.212 120.734 120.500 0.036 0.000 2.589 614 R HA 0.731 5.071 4.340 0.001 0.000 0.293 614 R C -1.827 174.500 176.300 0.045 0.000 0.963 614 R CA -0.364 55.755 56.100 0.033 0.000 0.905 614 R CB 1.861 32.174 30.300 0.022 0.000 1.144 614 R HN 0.979 nan 8.270 nan 0.000 0.459 615 V N 4.090 124.030 119.914 0.044 0.000 2.638 615 V HA 0.446 4.567 4.120 0.001 0.000 0.306 615 V C -0.636 175.484 176.094 0.044 0.000 1.052 615 V CA -0.122 62.206 62.300 0.046 0.000 0.885 615 V CB 2.213 34.066 31.823 0.048 0.000 0.999 615 V HN 1.080 nan 8.190 nan 0.000 0.424 616 T N 4.380 118.961 114.554 0.044 0.000 3.075 616 T HA 0.270 4.620 4.350 0.001 0.000 0.251 616 T C 0.414 175.141 174.700 0.045 0.000 0.979 616 T CA 0.000 62.128 62.100 0.046 0.000 1.033 616 T CB 0.147 69.042 68.868 0.045 0.000 1.104 616 T HN 0.565 nan 8.240 nan 0.000 0.473 617 K N 2.134 122.559 120.400 0.041 0.000 2.249 617 K HA 0.327 4.648 4.320 0.001 0.000 0.280 617 K C 1.072 177.699 176.600 0.044 0.000 1.033 617 K CA -0.296 56.014 56.287 0.038 0.000 0.946 617 K CB 1.432 33.950 32.500 0.032 0.000 1.005 617 K HN 0.042 nan 8.250 nan 0.000 0.469 618 K N 2.438 122.862 120.400 0.041 0.000 2.103 618 K HA -0.221 4.100 4.320 0.001 0.000 0.207 618 K C 1.790 178.434 176.600 0.074 0.000 1.048 618 K CA 1.619 57.941 56.287 0.058 0.000 0.930 618 K CB -0.089 32.413 32.500 0.002 0.000 0.716 618 K HN 0.732 nan 8.250 nan 0.000 0.444 619 A N 1.690 124.536 122.820 0.044 0.000 1.940 619 A HA -0.195 4.125 4.320 0.001 0.000 0.219 619 A C 1.451 179.065 177.584 0.050 0.000 1.176 619 A CA 2.039 54.102 52.037 0.044 0.000 0.631 619 A CB -0.463 18.552 19.000 0.025 0.000 0.814 619 A HN 0.463 nan 8.150 nan 0.000 0.446 620 D N -0.642 119.786 120.400 0.046 0.000 2.363 620 D HA -0.012 4.628 4.640 0.001 0.000 0.220 620 D C 1.600 177.926 176.300 0.043 0.000 0.994 620 D CA 0.313 54.337 54.000 0.041 0.000 0.890 620 D CB -0.024 40.799 40.800 0.039 0.000 0.906 620 D HN 0.355 nan 8.370 nan 0.000 0.530 621 L N 1.299 122.557 121.223 0.058 0.000 2.005 621 L HA -0.094 4.246 4.340 0.001 0.000 0.207 621 L C 2.292 179.172 176.870 0.017 0.000 1.072 621 L CA 1.551 56.420 54.840 0.049 0.000 0.744 621 L CB -0.395 41.717 42.059 0.088 0.000 0.895 621 L HN -0.185 nan 8.230 nan 0.000 0.433 622 R N -0.343 120.172 120.500 0.025 0.000 2.119 622 R HA -0.242 4.098 4.340 0.001 0.000 0.246 622 R C 2.280 178.571 176.300 -0.014 0.000 1.146 622 R CA 2.141 58.238 56.100 -0.006 0.000 0.962 622 R CB -0.285 30.025 30.300 0.017 0.000 0.863 622 R HN 0.592 nan 8.270 nan 0.000 0.442 623 E N -0.777 119.423 120.200 0.000 0.000 2.076 623 E HA -0.094 4.257 4.350 0.001 0.000 0.190 623 E C 1.843 178.433 176.600 -0.016 0.000 0.979 623 E CA 0.803 57.200 56.400 -0.006 0.000 0.807 623 E CB -0.015 29.690 29.700 0.008 0.000 0.761 623 E HN 0.369 nan 8.360 nan 0.000 0.454 624 A N 1.338 124.157 122.820 -0.001 0.000 1.883 624 A HA -0.201 4.119 4.320 0.001 0.000 0.217 624 A C 2.141 179.694 177.584 -0.051 0.000 1.186 624 A CA 1.451 53.491 52.037 0.005 0.000 0.624 624 A CB -0.722 18.300 19.000 0.037 0.000 0.822 624 A HN 0.305 nan 8.150 nan 0.000 0.444 625 I N -0.937 119.602 120.570 -0.052 0.000 2.226 625 I HA -0.277 3.894 4.170 0.001 0.000 0.245 625 I C 2.753 178.798 176.117 -0.119 0.000 1.100 625 I CA 1.774 63.025 61.300 -0.081 0.000 1.374 625 I CB -0.331 37.634 38.000 -0.059 0.000 1.057 625 I HN 0.398 nan 8.210 nan 0.000 0.413 626 Q N 0.872 120.617 119.800 -0.091 0.000 2.124 626 Q HA -0.175 4.165 4.340 0.001 0.000 0.202 626 Q C 2.059 177.981 176.000 -0.130 0.000 0.977 626 Q CA 2.319 58.069 55.803 -0.088 0.000 0.850 626 Q CB -0.435 28.271 28.738 -0.055 0.000 0.901 626 Q HN 0.412 nan 8.270 nan 0.000 0.429 627 T N 0.429 114.889 114.554 -0.158 0.000 2.777 627 T HA -0.126 4.224 4.350 0.001 0.000 0.266 627 T C 1.651 176.044 174.700 -0.510 0.000 1.040 627 T CA 1.329 63.304 62.100 -0.210 0.000 1.141 627 T CB -0.290 68.514 68.868 -0.106 0.000 0.868 627 T HN 0.426 nan 8.240 nan 0.000 0.444 628 M N 0.772 119.915 119.600 -0.763 0.000 2.082 628 M HA -0.102 4.379 4.480 0.001 0.000 0.258 628 M C 1.938 177.943 176.300 -0.491 0.000 1.069 628 M CA 1.780 56.399 55.300 -1.135 0.000 1.102 628 M CB -0.339 31.904 32.600 -0.594 0.000 1.336 628 M HN 0.208 nan 8.290 nan 0.000 0.404 629 L N -0.183 120.884 121.223 -0.260 0.000 2.093 629 L HA -0.213 4.128 4.340 0.001 0.000 0.208 629 L C 1.924 178.739 176.870 -0.093 0.000 1.085 629 L CA 1.075 55.842 54.840 -0.122 0.000 0.755 629 L CB -0.821 41.194 42.059 -0.072 0.000 0.904 629 L HN 0.304 nan 8.230 nan 0.000 0.435 630 D N -0.954 119.380 120.400 -0.110 0.000 2.162 630 D HA -0.043 4.597 4.640 0.001 0.000 0.203 630 D C 0.767 177.049 176.300 -0.030 0.000 0.967 630 D CA 0.624 54.590 54.000 -0.056 0.000 0.840 630 D CB -0.142 40.629 40.800 -0.048 0.000 0.972 630 D HN 0.176 nan 8.370 nan 0.000 0.482 631 T N 3.714 118.242 114.554 -0.044 0.000 2.829 631 T HA 0.174 4.525 4.350 0.001 0.000 0.293 631 T C -2.337 172.404 174.700 0.069 0.000 0.970 631 T CA -1.040 61.089 62.100 0.048 0.000 1.168 631 T CB 1.039 70.007 68.868 0.167 0.000 0.911 631 T HN -0.040 nan 8.240 nan 0.000 0.535 632 P HA 0.372 nan 4.420 nan 0.000 0.269 632 P C 0.865 178.215 177.300 0.084 0.000 1.215 632 P CA 0.573 63.710 63.100 0.062 0.000 0.780 632 P CB 0.268 31.998 31.700 0.050 0.000 0.898 633 G N 2.224 111.070 108.800 0.076 0.000 2.693 633 G HA2 -0.124 3.837 3.960 0.001 0.000 0.226 633 G HA3 -0.124 3.837 3.960 0.001 0.000 0.226 633 G C -2.803 172.164 174.900 0.111 0.000 1.354 633 G CA -0.731 44.419 45.100 0.083 0.000 0.873 633 G HN 0.546 nan 8.290 nan 0.000 0.562 634 P HA 0.434 nan 4.420 nan 0.000 0.272 634 P C -1.100 176.309 177.300 0.182 0.000 1.223 634 P CA 0.348 63.523 63.100 0.125 0.000 0.784 634 P CB 0.845 32.600 31.700 0.091 0.000 0.923 635 Y N 1.523 121.846 120.300 0.039 0.000 2.482 635 Y HA 0.449 5.000 4.550 0.001 0.000 0.334 635 Y C -1.585 174.328 175.900 0.020 0.000 1.091 635 Y CA -1.214 56.904 58.100 0.030 0.000 1.027 635 Y CB 1.735 40.209 38.460 0.023 0.000 1.306 635 Y HN 0.237 nan 8.280 nan 0.000 0.446 636 L N 6.917 128.110 121.223 -0.051 0.000 2.333 636 L HA 0.667 5.007 4.340 0.001 0.000 0.280 636 L C -2.181 174.717 176.870 0.046 0.000 1.004 636 L CA -0.768 54.074 54.840 0.003 0.000 0.820 636 L CB 1.422 43.439 42.059 -0.070 0.000 1.247 636 L HN 0.613 nan 8.230 nan 0.000 0.416 637 L N 4.687 125.986 121.223 0.126 0.000 2.316 637 L HA 0.504 4.844 4.340 0.001 0.000 0.280 637 L C -0.892 175.980 176.870 0.004 0.000 1.006 637 L CA -0.119 54.798 54.840 0.127 0.000 0.836 637 L CB 1.087 43.251 42.059 0.176 0.000 1.221 637 L HN 0.659 nan 8.230 nan 0.000 0.418 638 D N 3.700 124.091 120.400 -0.015 0.000 2.352 638 D HA 0.235 4.875 4.640 0.001 0.000 0.245 638 D C -0.805 175.494 176.300 -0.001 0.000 1.224 638 D CA 0.167 54.143 54.000 -0.040 0.000 0.879 638 D CB 0.818 41.598 40.800 -0.033 0.000 1.057 638 D HN 0.278 nan 8.370 nan 0.000 0.491 639 V N 5.902 125.814 119.914 -0.003 0.000 2.333 639 V HA 0.220 4.340 4.120 0.001 0.000 0.274 639 V C 0.298 176.412 176.094 0.035 0.000 1.028 639 V CA -0.910 61.402 62.300 0.021 0.000 0.851 639 V CB 0.964 32.799 31.823 0.020 0.000 1.000 639 V HN 0.423 nan 8.190 nan 0.000 0.456 640 I N 4.273 124.871 120.570 0.046 0.000 2.441 640 I HA 0.308 4.479 4.170 0.001 0.000 0.287 640 I C 0.214 176.374 176.117 0.071 0.000 1.049 640 I CA 0.217 61.556 61.300 0.066 0.000 1.381 640 I CB 0.703 38.745 38.000 0.069 0.000 1.409 640 I HN 0.560 nan 8.210 nan 0.000 0.523 641 C N 7.448 126.805 119.300 0.095 0.000 2.626 641 C HA 0.463 4.924 4.460 0.001 0.000 0.310 641 C C -2.207 172.853 174.990 0.117 0.000 1.191 641 C CA -1.256 57.816 59.018 0.090 0.000 1.517 641 C CB 2.061 29.856 27.740 0.092 0.000 2.102 641 C HN 0.578 nan 8.230 nan 0.000 0.479 642 P HA 0.043 nan 4.420 nan 0.000 0.264 642 P C 0.598 177.932 177.300 0.056 0.000 1.193 642 P CA 0.596 63.711 63.100 0.024 0.000 0.763 642 P CB 0.258 31.905 31.700 -0.088 0.000 0.810 643 H N 3.559 122.682 119.070 0.088 0.000 2.524 643 H HA -0.056 4.500 4.556 0.001 0.000 0.282 643 H C 0.753 176.115 175.328 0.057 0.000 1.016 643 H CA 0.628 56.741 56.048 0.108 0.000 1.270 643 H CB 0.074 29.910 29.762 0.124 0.000 1.394 643 H HN 0.424 nan 8.280 nan 0.000 0.568 644 Q N 1.241 120.836 119.800 -0.341 0.000 2.222 644 Q HA 0.153 4.493 4.340 0.001 0.000 0.206 644 Q C -0.339 175.682 176.000 0.036 0.000 0.877 644 Q CA -0.139 55.549 55.803 -0.192 0.000 0.958 644 Q CB 0.419 28.917 28.738 -0.400 0.000 1.075 644 Q HN 0.405 nan 8.270 nan 0.000 0.483 645 E N 1.623 121.921 120.200 0.162 0.000 2.383 645 E HA 0.156 4.506 4.350 0.001 0.000 0.264 645 E C -0.613 176.342 176.600 0.590 0.000 1.050 645 E CA 0.133 56.723 56.400 0.317 0.000 0.896 645 E CB 0.735 30.606 29.700 0.286 0.000 0.982 645 E HN 0.336 nan 8.360 nan 0.000 0.424 646 H N 0.043 119.321 119.070 0.347 0.000 2.538 646 H HA 0.271 4.827 4.556 0.000 0.000 0.353 646 H C -0.531 175.054 175.328 0.428 0.000 1.109 646 H CA -0.988 55.244 56.048 0.306 0.000 1.192 646 H CB 1.835 31.702 29.762 0.174 0.000 1.555 646 H HN 0.148 nan 8.280 nan 0.000 0.518 647 V N 5.654 125.723 119.914 0.258 0.000 2.479 647 V HA 0.069 4.189 4.120 0.001 0.000 0.281 647 V C 0.141 176.366 176.094 0.218 0.000 1.031 647 V CA 0.367 62.733 62.300 0.110 0.000 1.038 647 V CB 0.013 31.498 31.823 -0.564 0.000 0.981 647 V HN 0.423 nan 8.190 nan 0.000 0.478 648 L N 6.919 128.346 121.223 0.340 0.000 2.409 648 L HA 0.574 4.914 4.340 0.001 0.000 0.262 648 L C -2.429 174.605 176.870 0.273 0.000 0.992 648 L CA -1.863 53.154 54.840 0.296 0.000 0.817 648 L CB 2.675 44.901 42.059 0.278 0.000 1.350 648 L HN 0.416 nan 8.230 nan 0.000 0.411 649 P HA 0.320 nan 4.420 nan 0.000 0.277 649 P C -1.153 176.270 177.300 0.206 0.000 1.276 649 P CA -0.519 62.677 63.100 0.160 0.000 0.788 649 P CB 0.663 32.412 31.700 0.080 0.000 1.114 650 M N 0.718 120.382 119.600 0.106 0.000 2.255 650 M HA 0.370 4.850 4.480 0.001 0.000 0.275 650 M C -1.781 174.500 176.300 -0.031 0.000 1.050 650 M CA -0.440 54.892 55.300 0.054 0.000 0.978 650 M CB 1.164 33.829 32.600 0.109 0.000 1.761 650 M HN 0.168 nan 8.290 nan 0.000 0.479 651 I N 7.539 128.068 120.570 -0.068 0.000 2.307 651 I HA 0.343 4.513 4.170 0.001 0.000 0.289 651 I C -1.918 174.169 176.117 -0.050 0.000 1.021 651 I CA -1.794 59.475 61.300 -0.053 0.000 1.224 651 I CB 1.131 39.115 38.000 -0.027 0.000 1.376 651 I HN 0.380 nan 8.210 nan 0.000 0.470 652 P HA -0.078 nan 4.420 nan 0.000 0.265 652 P C 0.029 177.305 177.300 -0.040 0.000 1.187 652 P CA 0.094 63.155 63.100 -0.065 0.000 0.766 652 P CB 0.626 32.320 31.700 -0.011 0.000 0.820 653 S N 2.241 117.947 115.700 0.009 0.000 2.575 653 S HA 0.271 4.741 4.470 0.001 0.000 0.295 653 S C 1.408 176.020 174.600 0.021 0.000 1.267 653 S CA 1.073 59.327 58.200 0.091 0.000 1.074 653 S CB -1.319 62.032 63.200 0.251 0.000 0.829 653 S HN 0.905 nan 8.310 nan 0.000 0.497 654 G N 3.270 112.078 108.800 0.013 0.000 2.160 654 G HA2 -0.132 3.828 3.960 0.001 0.000 0.244 654 G HA3 -0.132 3.828 3.960 0.001 0.000 0.244 654 G C 0.369 175.270 174.900 0.002 0.000 1.022 654 G CA 0.092 45.193 45.100 0.002 0.000 0.741 654 G HN 1.162 nan 8.290 nan 0.000 0.508 655 G N -1.705 107.097 108.800 0.004 0.000 2.795 655 G HA2 0.847 4.808 3.960 0.001 0.000 0.267 655 G HA3 0.847 4.808 3.960 0.001 0.000 0.267 655 G C -0.142 174.775 174.900 0.028 0.000 1.362 655 G CA 0.390 45.494 45.100 0.007 0.000 1.048 655 G HN 0.638 nan 8.290 nan 0.000 0.547 656 T N -0.961 113.612 114.554 0.032 0.000 2.910 656 T HA 0.280 4.631 4.350 0.001 0.000 0.287 656 T C 0.517 175.269 174.700 0.087 0.000 1.050 656 T CA -0.352 61.789 62.100 0.069 0.000 1.011 656 T CB 1.727 70.629 68.868 0.057 0.000 1.195 656 T HN 0.317 nan 8.240 nan 0.000 0.540 657 F N 1.464 121.397 119.950 -0.027 0.000 2.269 657 F HA -0.047 4.481 4.527 0.001 0.000 0.301 657 F C 1.918 177.701 175.800 -0.027 0.000 1.082 657 F CA 1.361 59.339 58.000 -0.036 0.000 1.360 657 F CB -0.352 38.610 39.000 -0.064 0.000 1.041 657 F HN 0.456 nan 8.300 nan 0.000 0.512 658 N N 0.106 118.769 118.700 -0.061 0.000 2.396 658 N HA -0.134 4.606 4.740 0.001 0.000 0.180 658 N C 0.619 176.042 175.510 -0.145 0.000 1.028 658 N CA 1.122 54.098 53.050 -0.122 0.000 0.893 658 N CB -0.206 38.275 38.487 -0.009 0.000 0.967 658 N HN 0.374 nan 8.380 nan 0.000 0.440 659 D N 0.811 121.145 120.400 -0.110 0.000 2.340 659 D HA 0.004 4.644 4.640 0.001 0.000 0.220 659 D C 0.528 176.756 176.300 -0.121 0.000 1.039 659 D CA 0.013 53.960 54.000 -0.088 0.000 0.866 659 D CB 0.207 40.981 40.800 -0.043 0.000 0.913 659 D HN -0.072 nan 8.370 nan 0.000 0.523 660 V N 1.730 121.518 119.914 -0.210 0.000 2.557 660 V HA -0.072 4.048 4.120 0.001 0.000 0.301 660 V C 0.152 176.152 176.094 -0.157 0.000 1.026 660 V CA 0.194 62.365 62.300 -0.215 0.000 1.137 660 V CB 0.082 31.671 31.823 -0.390 0.000 0.917 660 V HN -0.023 nan 8.190 nan 0.000 0.484 661 I N 6.523 127.041 120.570 -0.088 0.000 2.321 661 I HA 0.324 4.495 4.170 0.001 0.000 0.291 661 I C 1.048 177.161 176.117 -0.005 0.000 0.998 661 I CA 0.005 61.276 61.300 -0.047 0.000 1.227 661 I CB 1.666 39.645 38.000 -0.035 0.000 1.368 661 I HN 0.804 nan 8.210 nan 0.000 0.466 662 T N 0.101 114.659 114.554 0.007 0.000 3.003 662 T HA 0.279 4.629 4.350 0.001 0.000 0.261 662 T C 0.298 175.056 174.700 0.096 0.000 1.003 662 T CA -0.188 61.950 62.100 0.062 0.000 0.917 662 T CB 0.276 69.184 68.868 0.066 0.000 1.084 662 T HN 0.423 nan 8.240 nan 0.000 0.522 663 E N 0.116 120.356 120.200 0.066 0.000 2.317 663 E HA 0.636 4.987 4.350 0.001 0.000 0.270 663 E C -0.094 176.528 176.600 0.037 0.000 0.885 663 E CA 0.416 56.852 56.400 0.059 0.000 0.760 663 E CB 1.722 31.447 29.700 0.042 0.000 1.227 663 E HN 0.604 nan 8.360 nan 0.000 0.434 664 G N 2.521 111.338 108.800 0.029 0.000 2.497 664 G HA2 0.308 4.268 3.960 0.001 0.000 0.686 664 G HA3 0.308 4.268 3.960 0.001 0.000 0.686 664 G C -1.385 173.460 174.900 -0.092 0.000 1.288 664 G CA -0.226 44.855 45.100 -0.031 0.000 0.899 664 G HN 0.806 nan 8.290 nan 0.000 0.608 665 D N -2.362 117.874 120.400 -0.274 0.000 2.946 665 D HA 0.589 5.229 4.640 0.001 0.000 0.337 665 D C 1.079 176.935 176.300 -0.740 0.000 1.332 665 D CA 0.390 54.009 54.000 -0.634 0.000 0.935 665 D CB 0.394 41.059 40.800 -0.225 0.000 1.440 665 D HN 1.387 nan 8.370 nan 0.000 0.540 666 G N -1.033 107.389 108.800 -0.631 0.000 3.088 666 G HA2 0.097 4.058 3.960 0.001 0.000 0.212 666 G HA3 0.097 4.058 3.960 0.001 0.000 0.212 666 G C 0.470 175.260 174.900 -0.183 0.000 1.173 666 G CA -0.137 44.817 45.100 -0.243 0.000 0.779 666 G HN 0.203 nan 8.290 nan 0.000 0.540 667 R N -0.332 120.039 120.500 -0.214 0.000 2.541 667 R HA 0.368 4.708 4.340 0.001 0.000 0.263 667 R C 1.181 177.411 176.300 -0.117 0.000 1.112 667 R CA -0.960 55.029 56.100 -0.185 0.000 1.170 667 R CB 0.661 30.821 30.300 -0.234 0.000 1.167 667 R HN 0.076 nan 8.270 nan 0.000 0.582 668 I N 0.000 120.514 120.570 -0.094 0.000 2.984 668 I HA 0.000 4.170 4.170 0.001 0.000 0.288 668 I CA 0.000 61.266 61.300 -0.058 0.000 1.566 668 I CB 0.000 37.976 38.000 -0.040 0.000 1.214 668 I HN 0.000 nan 8.210 nan 0.000 0.494