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 3ea4_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 0.000 175.742 175.800 -0.096 0.000 0.967 87 F CA 0.000 57.939 58.000 -0.101 0.000 1.383 87 F CB 0.000 38.908 39.000 -0.154 0.000 1.145 88 I N 4.901 124.951 120.570 -0.866 0.000 2.321 88 I HA 0.393 4.563 4.170 0.001 0.000 0.291 88 I C 0.363 175.963 176.117 -0.861 0.000 0.998 88 I CA -0.574 60.354 61.300 -0.619 0.000 1.227 88 I CB 1.532 39.302 38.000 -0.385 0.000 1.368 88 I HN 0.592 nan 8.210 nan 0.000 0.466 89 S N 4.756 120.242 115.700 -0.357 0.000 2.645 89 S HA 0.375 4.845 4.470 0.001 0.000 0.266 89 S C 0.967 175.501 174.600 -0.111 0.000 1.258 89 S CA -0.483 57.659 58.200 -0.097 0.000 0.990 89 S CB 0.808 64.114 63.200 0.175 0.000 0.967 89 S HN 0.648 nan 8.310 nan 0.000 0.556 90 R N 0.356 120.818 120.500 -0.065 0.000 2.393 90 R HA 0.256 4.596 4.340 0.001 0.000 0.244 90 R C -0.919 175.077 176.300 -0.506 0.000 0.920 90 R CA 0.141 56.064 56.100 -0.295 0.000 1.076 90 R CB 0.169 30.233 30.300 -0.393 0.000 1.119 90 R HN 0.431 nan 8.270 nan 0.000 0.524 91 F N 0.047 120.019 119.950 0.038 0.000 2.563 91 F HA 0.508 5.035 4.527 0.001 0.000 0.316 91 F C 0.342 176.177 175.800 0.057 0.000 1.076 91 F CA -1.452 56.581 58.000 0.054 0.000 0.921 91 F CB 1.124 40.176 39.000 0.086 0.000 1.209 91 F HN -0.145 nan 8.300 nan 0.000 0.462 92 A N 2.466 125.422 122.820 0.227 0.000 2.466 92 A HA 0.343 4.663 4.320 0.001 0.000 0.238 92 A C -1.832 175.851 177.584 0.166 0.000 1.074 92 A CA -0.958 51.167 52.037 0.147 0.000 0.774 92 A CB -0.204 18.859 19.000 0.104 0.000 1.015 92 A HN 0.621 nan 8.150 nan 0.000 0.498 93 P HA -0.061 nan 4.420 nan 0.000 0.228 93 P C 0.107 177.465 177.300 0.097 0.000 1.151 93 P CA 1.446 64.627 63.100 0.135 0.000 0.770 93 P CB 0.128 31.894 31.700 0.109 0.000 0.786 94 D N -2.483 117.965 120.400 0.079 0.000 2.479 94 D HA 0.024 4.664 4.640 0.001 0.000 0.218 94 D C 0.293 176.622 176.300 0.048 0.000 1.177 94 D CA -0.134 53.896 54.000 0.050 0.000 0.830 94 D CB -0.495 40.329 40.800 0.039 0.000 1.014 94 D HN 0.127 nan 8.370 nan 0.000 0.503 95 Q N 1.358 121.202 119.800 0.074 0.000 2.303 95 Q HA 0.355 4.695 4.340 0.001 0.000 0.257 95 Q C -2.605 173.412 176.000 0.027 0.000 0.941 95 Q CA -2.058 53.793 55.803 0.080 0.000 0.931 95 Q CB 1.689 30.524 28.738 0.161 0.000 1.215 95 Q HN -0.090 nan 8.270 nan 0.000 0.437 96 P HA 0.102 nan 4.420 nan 0.000 0.271 96 P C -1.213 176.032 177.300 -0.091 0.000 1.218 96 P CA -0.069 63.001 63.100 -0.052 0.000 0.780 96 P CB 0.616 32.297 31.700 -0.032 0.000 0.901 97 R N 0.577 120.966 120.500 -0.185 0.000 2.734 97 R HA 0.446 4.786 4.340 0.001 0.000 0.271 97 R C -1.012 175.167 176.300 -0.202 0.000 1.021 97 R CA -1.005 54.937 56.100 -0.263 0.000 0.893 97 R CB 0.608 30.467 30.300 -0.734 0.000 1.244 97 R HN 0.236 nan 8.270 nan 0.000 0.464 98 K N 0.156 120.468 120.400 -0.146 0.000 2.469 98 K HA 0.113 4.433 4.320 0.001 0.000 0.274 98 K C 1.500 178.040 176.600 -0.100 0.000 0.983 98 K CA 0.784 57.019 56.287 -0.087 0.000 0.974 98 K CB 0.400 32.879 32.500 -0.034 0.000 0.913 98 K HN 0.819 nan 8.250 nan 0.000 0.493 99 G N 1.830 110.588 108.800 -0.071 0.000 2.469 99 G HA2 -0.339 3.621 3.960 0.001 0.000 0.220 99 G HA3 -0.339 3.621 3.960 0.001 0.000 0.220 99 G C 1.482 176.359 174.900 -0.037 0.000 1.136 99 G CA 1.140 46.202 45.100 -0.064 0.000 0.759 99 G HN 0.697 nan 8.290 nan 0.000 0.562 100 A N 0.922 123.731 122.820 -0.017 0.000 1.908 100 A HA -0.110 4.211 4.320 0.001 0.000 0.218 100 A C 2.108 179.704 177.584 0.020 0.000 1.181 100 A CA 2.059 54.101 52.037 0.008 0.000 0.627 100 A CB -0.441 18.572 19.000 0.022 0.000 0.818 100 A HN 0.337 nan 8.150 nan 0.000 0.445 101 D N -0.344 120.058 120.400 0.002 0.000 2.178 101 D HA -0.072 4.568 4.640 0.001 0.000 0.202 101 D C 1.920 178.239 176.300 0.031 0.000 0.974 101 D CA 1.103 55.118 54.000 0.026 0.000 0.841 101 D CB -0.155 40.605 40.800 -0.066 0.000 0.953 101 D HN 0.528 nan 8.370 nan 0.000 0.478 102 I N 0.926 121.484 120.570 -0.021 0.000 2.179 102 I HA -0.238 3.932 4.170 0.001 0.000 0.242 102 I C 2.623 178.827 176.117 0.144 0.000 1.088 102 I CA 0.543 61.878 61.300 0.058 0.000 1.357 102 I CB -0.163 37.786 38.000 -0.085 0.000 1.051 102 I HN -0.025 nan 8.210 nan 0.000 0.409 103 L N 0.353 121.616 121.223 0.066 0.000 2.013 103 L HA -0.237 4.104 4.340 0.001 0.000 0.212 103 L C 2.502 179.423 176.870 0.085 0.000 1.073 103 L CA 1.526 56.408 54.840 0.070 0.000 0.753 103 L CB -0.151 41.929 42.059 0.036 0.000 0.890 103 L HN -0.009 nan 8.230 nan 0.000 0.432 104 V N -0.180 119.782 119.914 0.079 0.000 2.343 104 V HA -0.307 3.813 4.120 0.001 0.000 0.247 104 V C 2.457 178.599 176.094 0.080 0.000 1.051 104 V CA 2.122 64.463 62.300 0.069 0.000 1.036 104 V CB -0.610 31.253 31.823 0.067 0.000 0.654 104 V HN 0.588 nan 8.190 nan 0.000 0.451 105 E N 0.380 120.665 120.200 0.141 0.000 2.110 105 E HA -0.222 4.128 4.350 0.001 0.000 0.193 105 E C 2.197 178.741 176.600 -0.094 0.000 0.988 105 E CA 1.286 57.749 56.400 0.106 0.000 0.804 105 E CB -0.257 29.580 29.700 0.230 0.000 0.745 105 E HN 0.564 nan 8.360 nan 0.000 0.458 106 A N 0.895 123.768 122.820 0.089 0.000 1.940 106 A HA -0.174 4.146 4.320 0.001 0.000 0.219 106 A C 2.152 179.638 177.584 -0.162 0.000 1.176 106 A CA 1.311 53.377 52.037 0.049 0.000 0.631 106 A CB -0.591 18.538 19.000 0.215 0.000 0.814 106 A HN 0.328 nan 8.150 nan 0.000 0.446 107 L N -1.021 120.138 121.223 -0.107 0.000 2.072 107 L HA -0.157 4.183 4.340 0.001 0.000 0.205 107 L C 2.538 179.288 176.870 -0.199 0.000 1.079 107 L CA 1.484 56.225 54.840 -0.166 0.000 0.752 107 L CB -0.689 41.360 42.059 -0.017 0.000 0.906 107 L HN 0.437 nan 8.230 nan 0.000 0.436 108 E N 0.232 120.360 120.200 -0.121 0.000 2.110 108 E HA -0.211 4.139 4.350 0.001 0.000 0.193 108 E C 2.286 178.758 176.600 -0.214 0.000 0.988 108 E CA 0.971 57.339 56.400 -0.054 0.000 0.804 108 E CB -0.073 29.706 29.700 0.133 0.000 0.745 108 E HN 0.395 nan 8.360 nan 0.000 0.458 109 R N 0.348 120.527 120.500 -0.534 0.000 2.189 109 R HA -0.034 4.306 4.340 0.001 0.000 0.218 109 R C 1.918 177.929 176.300 -0.482 0.000 1.074 109 R CA 0.613 56.227 56.100 -0.809 0.000 0.991 109 R CB 0.143 29.807 30.300 -1.060 0.000 0.883 109 R HN 0.104 nan 8.270 nan 0.000 0.457 110 Q N -0.671 118.862 119.800 -0.446 0.000 2.444 110 Q HA 0.070 4.411 4.340 0.001 0.000 0.206 110 Q C 1.044 176.881 176.000 -0.272 0.000 0.948 110 Q CA 0.894 56.416 55.803 -0.468 0.000 0.946 110 Q CB 1.078 29.202 28.738 -1.024 0.000 1.027 110 Q HN 0.565 nan 8.270 nan 0.000 0.513 111 G N 0.218 108.910 108.800 -0.180 0.000 2.175 111 G HA2 -0.256 3.705 3.960 0.001 0.000 0.244 111 G HA3 -0.256 3.705 3.960 0.001 0.000 0.244 111 G C 0.258 175.157 174.900 -0.001 0.000 0.982 111 G CA 0.199 45.266 45.100 -0.054 0.000 0.641 111 G HN 0.222 nan 8.290 nan 0.000 0.527 112 V N 0.727 120.623 119.914 -0.031 0.000 2.557 112 V HA 0.185 4.305 4.120 0.001 0.000 0.301 112 V C 1.335 177.447 176.094 0.030 0.000 1.026 112 V CA 1.619 63.942 62.300 0.039 0.000 1.137 112 V CB 1.078 32.923 31.823 0.036 0.000 0.917 112 V HN 0.557 nan 8.190 nan 0.000 0.484 113 E N 1.777 122.010 120.200 0.055 0.000 2.434 113 E HA 0.138 4.488 4.350 0.001 0.000 0.207 113 E C 0.038 176.615 176.600 -0.038 0.000 0.929 113 E CA 0.251 56.671 56.400 0.032 0.000 1.001 113 E CB 0.874 30.623 29.700 0.083 0.000 1.016 113 E HN 0.766 nan 8.360 nan 0.000 0.502 114 T N 1.197 115.677 114.554 -0.123 0.000 2.916 114 T HA 0.459 4.809 4.350 0.001 0.000 0.298 114 T C -0.617 173.797 174.700 -0.478 0.000 1.031 114 T CA -0.791 61.101 62.100 -0.347 0.000 0.993 114 T CB 2.166 70.743 68.868 -0.484 0.000 1.045 114 T HN 0.003 nan 8.240 nan 0.000 0.454 115 V N -0.522 119.084 119.914 -0.513 0.000 3.074 115 V HA 0.887 5.008 4.120 0.001 0.000 0.314 115 V C -1.652 174.044 176.094 -0.664 0.000 1.117 115 V CA -1.312 60.727 62.300 -0.435 0.000 1.014 115 V CB 1.885 33.593 31.823 -0.192 0.000 1.057 115 V HN 0.777 nan 8.190 nan 0.000 0.438 116 F N 1.855 121.756 119.950 -0.082 0.000 2.434 116 F HA 0.864 5.392 4.527 0.001 0.000 0.367 116 F C 0.437 176.250 175.800 0.022 0.000 1.093 116 F CA -0.198 57.787 58.000 -0.026 0.000 1.085 116 F CB 1.537 40.520 39.000 -0.029 0.000 1.322 116 F HN 0.904 nan 8.300 nan 0.000 0.452 117 A N 3.069 125.986 122.820 0.162 0.000 2.356 117 A HA 0.660 4.980 4.320 0.001 0.000 0.310 117 A C -2.131 175.661 177.584 0.347 0.000 1.075 117 A CA -0.653 51.502 52.037 0.198 0.000 0.746 117 A CB 0.830 19.816 19.000 -0.023 0.000 1.221 117 A HN 0.641 nan 8.150 nan 0.000 0.443 118 Y N 4.846 125.270 120.300 0.207 0.000 2.328 118 Y HA 0.523 5.073 4.550 0.001 0.000 0.333 118 Y C -2.280 173.606 175.900 -0.022 0.000 0.958 118 Y CA -2.075 56.077 58.100 0.088 0.000 1.167 118 Y CB 1.999 40.474 38.460 0.024 0.000 1.151 118 Y HN 0.525 nan 8.280 nan 0.000 0.470 119 P HA 0.380 nan 4.420 nan 0.000 0.275 119 P C -0.472 176.703 177.300 -0.208 0.000 1.228 119 P CA 0.101 62.788 63.100 -0.687 0.000 0.786 119 P CB 1.787 32.931 31.700 -0.927 0.000 0.927 120 G N -0.007 108.718 108.800 -0.124 0.000 2.645 120 G HA2 0.459 4.420 3.960 0.001 0.000 0.292 120 G HA3 0.459 4.420 3.960 0.001 0.000 0.292 120 G C 0.820 175.707 174.900 -0.021 0.000 1.415 120 G CA -0.140 44.937 45.100 -0.038 0.000 0.785 120 G HN 0.440 nan 8.290 nan 0.000 0.483 121 G N 0.140 108.946 108.800 0.010 0.000 2.529 121 G HA2 0.039 4.000 3.960 0.001 0.000 0.219 121 G HA3 0.039 4.000 3.960 0.001 0.000 0.219 121 G C 1.855 176.777 174.900 0.037 0.000 1.177 121 G CA 2.097 47.222 45.100 0.043 0.000 0.773 121 G HN 1.468 nan 8.290 nan 0.000 0.573 122 A N 0.167 123.001 122.820 0.023 0.000 2.206 122 A HA 0.317 4.637 4.320 0.001 0.000 0.211 122 A C 2.219 179.827 177.584 0.041 0.000 1.158 122 A CA 1.876 53.928 52.037 0.026 0.000 0.761 122 A CB -0.151 18.852 19.000 0.004 0.000 0.801 122 A HN 0.861 nan 8.150 nan 0.000 0.473 123 S N -2.306 113.429 115.700 0.058 0.000 2.780 123 S HA 0.215 4.685 4.470 0.001 0.000 0.248 123 S C 1.465 176.159 174.600 0.157 0.000 1.036 123 S CA 0.169 58.437 58.200 0.114 0.000 1.061 123 S CB -0.499 62.800 63.200 0.164 0.000 1.037 123 S HN 0.349 nan 8.310 nan 0.000 0.584 124 M N 1.709 121.355 119.600 0.077 0.000 2.108 124 M HA -0.138 4.342 4.480 0.001 0.000 0.257 124 M C 2.133 178.494 176.300 0.102 0.000 1.071 124 M CA 1.780 57.118 55.300 0.062 0.000 1.093 124 M CB -0.455 32.159 32.600 0.023 0.000 1.345 124 M HN 0.369 nan 8.290 nan 0.000 0.403 125 E N 0.461 120.708 120.200 0.078 0.000 2.085 125 E HA -0.182 4.169 4.350 0.001 0.000 0.194 125 E C 1.913 178.557 176.600 0.073 0.000 0.994 125 E CA 1.423 57.862 56.400 0.065 0.000 0.801 125 E CB -0.425 29.301 29.700 0.044 0.000 0.743 125 E HN 0.607 nan 8.360 nan 0.000 0.453 126 I N 0.725 121.343 120.570 0.080 0.000 2.226 126 I HA -0.268 3.903 4.170 0.001 0.000 0.245 126 I C 2.483 178.599 176.117 -0.001 0.000 1.100 126 I CA 1.118 62.440 61.300 0.036 0.000 1.374 126 I CB -0.452 37.560 38.000 0.020 0.000 1.057 126 I HN 0.162 nan 8.210 nan 0.000 0.413 127 H N 0.489 119.564 119.070 0.009 0.000 2.389 127 H HA -0.113 4.443 4.556 0.001 0.000 0.299 127 H C 2.254 177.584 175.328 0.003 0.000 1.081 127 H CA 1.054 57.101 56.048 -0.002 0.000 1.345 127 H CB 0.096 29.848 29.762 -0.017 0.000 1.393 127 H HN 0.403 nan 8.280 nan 0.000 0.520 128 Q N 0.460 120.333 119.800 0.122 0.000 2.084 128 Q HA -0.059 4.281 4.340 0.001 0.000 0.202 128 Q C 2.545 178.582 176.000 0.062 0.000 0.978 128 Q CA 1.105 56.954 55.803 0.076 0.000 0.844 128 Q CB -0.404 28.373 28.738 0.065 0.000 0.898 128 Q HN 0.419 nan 8.270 nan 0.000 0.426 129 A N 0.603 123.460 122.820 0.061 0.000 1.930 129 A HA -0.140 4.181 4.320 0.001 0.000 0.217 129 A C 2.077 179.689 177.584 0.048 0.000 1.175 129 A CA 0.947 53.026 52.037 0.070 0.000 0.627 129 A CB -0.447 18.594 19.000 0.068 0.000 0.815 129 A HN 0.259 nan 8.150 nan 0.000 0.443 130 L N 0.586 121.813 121.223 0.005 0.000 2.083 130 L HA -0.126 4.215 4.340 0.001 0.000 0.209 130 L C 2.903 179.767 176.870 -0.010 0.000 1.083 130 L CA 2.587 57.410 54.840 -0.028 0.000 0.752 130 L CB -1.239 40.754 42.059 -0.109 0.000 0.899 130 L HN 0.661 nan 8.230 nan 0.000 0.433 131 T N -4.003 110.556 114.554 0.008 0.000 2.962 131 T HA -0.170 4.180 4.350 0.001 0.000 0.270 131 T C 2.015 176.718 174.700 0.006 0.000 1.088 131 T CA 0.793 62.897 62.100 0.007 0.000 1.127 131 T CB -0.289 68.589 68.868 0.016 0.000 0.883 131 T HN 0.283 nan 8.240 nan 0.000 0.493 132 R N 1.196 121.708 120.500 0.019 0.000 2.193 132 R HA 0.196 4.537 4.340 0.001 0.000 0.213 132 R C 1.423 177.723 176.300 0.000 0.000 1.055 132 R CA 0.368 56.476 56.100 0.014 0.000 0.995 132 R CB -0.134 30.195 30.300 0.048 0.000 0.893 132 R HN 0.360 nan 8.270 nan 0.000 0.459 133 S N 0.360 116.067 115.700 0.012 0.000 2.549 133 S HA 0.021 4.491 4.470 0.001 0.000 0.279 133 S C 1.107 175.697 174.600 -0.017 0.000 1.321 133 S CA -0.404 57.799 58.200 0.005 0.000 1.054 133 S CB 1.049 64.257 63.200 0.013 0.000 0.899 133 S HN 0.325 nan 8.310 nan 0.000 0.497 134 S N 2.502 118.186 115.700 -0.027 0.000 2.524 134 S HA 0.065 4.536 4.470 0.001 0.000 0.215 134 S C 1.416 176.000 174.600 -0.027 0.000 0.986 134 S CA 0.354 58.535 58.200 -0.033 0.000 0.911 134 S CB -0.028 63.145 63.200 -0.046 0.000 0.805 134 S HN 0.801 nan 8.310 nan 0.000 0.501 135 S N 0.801 116.489 115.700 -0.019 0.000 2.506 135 S HA 0.413 4.883 4.470 0.001 0.000 0.219 135 S C 0.340 174.933 174.600 -0.011 0.000 1.031 135 S CA -0.507 57.687 58.200 -0.011 0.000 0.911 135 S CB -0.470 62.731 63.200 0.002 0.000 0.812 135 S HN 0.461 nan 8.310 nan 0.000 0.497 136 I N 3.436 123.994 120.570 -0.020 0.000 2.321 136 I HA 0.413 4.583 4.170 0.001 0.000 0.291 136 I C 0.053 176.132 176.117 -0.063 0.000 0.998 136 I CA -0.833 60.441 61.300 -0.043 0.000 1.227 136 I CB 1.384 39.356 38.000 -0.047 0.000 1.368 136 I HN 0.265 nan 8.210 nan 0.000 0.466 137 R N 6.110 126.559 120.500 -0.086 0.000 2.368 137 R HA 0.348 4.689 4.340 0.001 0.000 0.302 137 R C -0.653 175.543 176.300 -0.174 0.000 1.002 137 R CA -0.552 55.486 56.100 -0.102 0.000 0.929 137 R CB 0.979 31.233 30.300 -0.077 0.000 1.073 137 R HN 0.656 nan 8.270 nan 0.000 0.464 138 N N 2.832 121.444 118.700 -0.146 0.000 2.438 138 N HA 0.192 4.932 4.740 0.001 0.000 0.282 138 N C -1.202 174.218 175.510 -0.151 0.000 1.037 138 N CA -0.607 52.339 53.050 -0.174 0.000 0.942 138 N CB 1.408 39.833 38.487 -0.103 0.000 1.136 138 N HN 0.370 nan 8.380 nan 0.000 0.481 139 V N 4.808 124.586 119.914 -0.227 0.000 2.318 139 V HA 0.191 4.311 4.120 0.001 0.000 0.271 139 V C 0.152 176.294 176.094 0.080 0.000 1.030 139 V CA -0.769 61.489 62.300 -0.069 0.000 0.844 139 V CB 0.865 32.648 31.823 -0.065 0.000 1.015 139 V HN 0.549 nan 8.190 nan 0.000 0.460 140 L N 10.278 131.550 121.223 0.082 0.000 2.325 140 L HA 0.515 4.855 4.340 0.001 0.000 0.284 140 L C -1.887 175.089 176.870 0.176 0.000 1.089 140 L CA -0.843 54.064 54.840 0.112 0.000 0.836 140 L CB 0.622 42.696 42.059 0.024 0.000 1.184 140 L HN 0.385 nan 8.230 nan 0.000 0.444 141 P HA 0.263 nan 4.420 nan 0.000 0.279 141 P C -0.409 177.072 177.300 0.300 0.000 1.282 141 P CA -0.371 62.872 63.100 0.237 0.000 0.788 141 P CB 0.903 32.726 31.700 0.206 0.000 1.139 142 R N -2.265 118.348 120.500 0.189 0.000 2.334 142 R HA 0.243 4.583 4.340 0.001 0.000 0.212 142 R C 0.212 176.530 176.300 0.029 0.000 0.897 142 R CA 0.250 56.464 56.100 0.191 0.000 1.056 142 R CB -0.722 29.642 30.300 0.106 0.000 1.046 142 R HN 0.639 nan 8.270 nan 0.000 0.513 143 H N -0.572 118.392 119.070 -0.176 0.000 3.029 143 H HA 0.101 4.658 4.556 0.000 0.000 0.358 143 H C 0.333 175.478 175.328 -0.304 0.000 1.129 143 H CA -0.471 55.373 56.048 -0.340 0.000 1.230 143 H CB 1.425 31.047 29.762 -0.234 0.000 1.827 143 H HN 0.007 nan 8.280 nan 0.000 0.530 144 E N 3.562 123.674 120.200 -0.146 0.000 2.418 144 E HA -0.216 4.135 4.350 0.001 0.000 0.197 144 E C 1.430 177.999 176.600 -0.052 0.000 1.026 144 E CA 0.788 57.151 56.400 -0.062 0.000 0.862 144 E CB 0.089 29.727 29.700 -0.103 0.000 0.799 144 E HN 0.787 nan 8.360 nan 0.000 0.518 145 Q N 1.295 121.093 119.800 -0.003 0.000 2.119 145 Q HA -0.088 4.253 4.340 0.001 0.000 0.201 145 Q C 2.190 177.896 176.000 -0.489 0.000 0.972 145 Q CA 1.710 57.250 55.803 -0.439 0.000 0.847 145 Q CB -0.442 27.899 28.738 -0.661 0.000 0.903 145 Q HN 0.359 nan 8.270 nan 0.000 0.433 146 G N 0.067 108.712 108.800 -0.257 0.000 2.469 146 G HA2 -0.278 3.682 3.960 0.001 0.000 0.219 146 G HA3 -0.278 3.682 3.960 0.001 0.000 0.219 146 G C 1.255 176.082 174.900 -0.122 0.000 1.150 146 G CA 0.796 45.815 45.100 -0.135 0.000 0.763 146 G HN 0.539 nan 8.290 nan 0.000 0.561 147 G N 0.906 109.661 108.800 -0.076 0.000 2.511 147 G HA2 -0.224 3.736 3.960 0.001 0.000 0.216 147 G HA3 -0.224 3.736 3.960 0.001 0.000 0.216 147 G C 1.961 176.781 174.900 -0.133 0.000 1.218 147 G CA 2.673 47.753 45.100 -0.033 0.000 0.788 147 G HN 0.701 nan 8.290 nan 0.000 0.560 148 V N -1.112 118.720 119.914 -0.136 0.000 2.287 148 V HA -0.174 3.946 4.120 0.001 0.000 0.248 148 V C 2.570 178.657 176.094 -0.012 0.000 1.053 148 V CA 2.059 64.301 62.300 -0.097 0.000 1.027 148 V CB -1.251 30.498 31.823 -0.123 0.000 0.646 148 V HN 0.383 nan 8.190 nan 0.000 0.447 149 F N 1.165 121.015 119.950 -0.167 0.000 2.171 149 F HA -0.101 4.426 4.527 0.000 0.000 0.300 149 F C 2.798 178.358 175.800 -0.401 0.000 1.090 149 F CA 0.902 58.763 58.000 -0.233 0.000 1.293 149 F CB -0.392 38.455 39.000 -0.254 0.000 1.013 149 F HN 0.248 nan 8.300 nan 0.000 0.486 150 A N 0.381 123.020 122.820 -0.302 0.000 1.877 150 A HA -0.164 4.156 4.320 0.001 0.000 0.216 150 A C 2.350 179.456 177.584 -0.796 0.000 1.186 150 A CA 1.703 53.343 52.037 -0.662 0.000 0.620 150 A CB -1.141 17.252 19.000 -1.011 0.000 0.822 150 A HN 0.329 nan 8.150 nan 0.000 0.443 151 A N -0.464 121.936 122.820 -0.700 0.000 1.933 151 A HA -0.181 4.140 4.320 0.001 0.000 0.218 151 A C 1.953 179.546 177.584 0.015 0.000 1.175 151 A CA 1.656 53.555 52.037 -0.229 0.000 0.628 151 A CB -0.496 18.497 19.000 -0.012 0.000 0.814 151 A HN 0.643 nan 8.150 nan 0.000 0.444 152 E N -0.794 119.409 120.200 0.004 0.000 2.051 152 E HA -0.129 4.222 4.350 0.001 0.000 0.192 152 E C 2.220 178.855 176.600 0.057 0.000 0.991 152 E CA 0.835 57.289 56.400 0.090 0.000 0.799 152 E CB -0.369 29.457 29.700 0.210 0.000 0.748 152 E HN 0.614 nan 8.360 nan 0.000 0.449 153 G N 0.509 109.266 108.800 -0.071 0.000 2.446 153 G HA2 -0.313 3.647 3.960 0.001 0.000 0.217 153 G HA3 -0.313 3.647 3.960 0.001 0.000 0.217 153 G C 1.394 176.311 174.900 0.029 0.000 1.168 153 G CA 0.937 45.981 45.100 -0.094 0.000 0.771 153 G HN 0.275 nan 8.290 nan 0.000 0.551 154 Y N 1.914 122.190 120.300 -0.041 0.000 2.053 154 Y HA -0.137 4.413 4.550 0.001 0.000 0.277 154 Y C 3.039 178.983 175.900 0.073 0.000 1.159 154 Y CA 2.126 60.273 58.100 0.078 0.000 1.125 154 Y CB -0.450 38.146 38.460 0.228 0.000 0.969 154 Y HN 0.262 nan 8.280 nan 0.000 0.492 155 A N 0.454 123.432 122.820 0.264 0.000 1.865 155 A HA -0.243 4.078 4.320 0.001 0.000 0.217 155 A C 2.258 179.872 177.584 0.052 0.000 1.191 155 A CA 2.133 54.262 52.037 0.154 0.000 0.623 155 A CB -0.748 18.344 19.000 0.153 0.000 0.826 155 A HN 0.568 nan 8.150 nan 0.000 0.444 156 R N -0.008 120.520 120.500 0.046 0.000 2.152 156 R HA -0.085 4.255 4.340 0.001 0.000 0.232 156 R C 2.227 178.526 176.300 -0.001 0.000 1.117 156 R CA 1.510 57.622 56.100 0.020 0.000 0.981 156 R CB -0.252 30.062 30.300 0.024 0.000 0.870 156 R HN 0.700 nan 8.270 nan 0.000 0.451 157 S N -0.987 114.699 115.700 -0.023 0.000 2.556 157 S HA 0.034 4.504 4.470 0.001 0.000 0.216 157 S C 1.479 176.043 174.600 -0.059 0.000 0.970 157 S CA 0.453 58.633 58.200 -0.033 0.000 0.912 157 S CB 0.550 63.727 63.200 -0.039 0.000 0.790 157 S HN 0.256 nan 8.310 nan 0.000 0.504 158 S N -0.853 114.797 115.700 -0.084 0.000 2.691 158 S HA 0.523 4.994 4.470 0.001 0.000 0.258 158 S C 1.606 176.180 174.600 -0.044 0.000 1.078 158 S CA 0.632 58.767 58.200 -0.108 0.000 1.000 158 S CB -0.171 62.867 63.200 -0.270 0.000 0.942 158 S HN 1.438 nan 8.310 nan 0.000 0.521 159 G N 1.715 110.508 108.800 -0.013 0.000 2.179 159 G HA2 -0.245 3.715 3.960 0.001 0.000 0.260 159 G HA3 -0.245 3.715 3.960 0.001 0.000 0.260 159 G C -0.060 174.865 174.900 0.042 0.000 0.977 159 G CA 0.446 45.557 45.100 0.018 0.000 0.641 159 G HN 0.633 nan 8.290 nan 0.000 0.533 160 K N 1.468 121.897 120.400 0.049 0.000 2.087 160 K HA 0.492 4.813 4.320 0.001 0.000 0.255 160 K C -2.263 174.450 176.600 0.188 0.000 0.988 160 K CA -1.775 54.589 56.287 0.128 0.000 0.915 160 K CB 1.451 34.045 32.500 0.158 0.000 1.043 160 K HN 0.063 nan 8.250 nan 0.000 0.457 161 P HA 0.015 nan 4.420 nan 0.000 0.271 161 P C -0.413 177.042 177.300 0.258 0.000 1.218 161 P CA -0.289 62.910 63.100 0.166 0.000 0.780 161 P CB 0.631 32.377 31.700 0.077 0.000 0.901 162 G N 1.906 110.821 108.800 0.192 0.000 2.348 162 G HA2 0.542 4.502 3.960 0.001 0.000 0.312 162 G HA3 0.542 4.502 3.960 0.001 0.000 0.312 162 G C -0.855 174.094 174.900 0.082 0.000 1.126 162 G CA -0.417 44.806 45.100 0.204 0.000 0.865 162 G HN 0.304 nan 8.290 nan 0.000 0.474 163 I N 1.635 122.252 120.570 0.078 0.000 2.406 163 I HA 0.385 4.555 4.170 0.001 0.000 0.290 163 I C 0.324 176.520 176.117 0.131 0.000 0.999 163 I CA -0.643 60.694 61.300 0.061 0.000 1.124 163 I CB 1.729 39.770 38.000 0.067 0.000 1.289 163 I HN 0.669 nan 8.210 nan 0.000 0.441 164 C N 5.643 125.001 119.300 0.097 0.000 2.563 164 C HA 0.873 5.333 4.460 0.001 0.000 0.314 164 C C -0.437 174.597 174.990 0.073 0.000 1.199 164 C CA -1.056 58.035 59.018 0.122 0.000 1.564 164 C CB 0.467 28.268 27.740 0.101 0.000 2.173 164 C HN 0.663 nan 8.230 nan 0.000 0.485 165 I N 2.378 122.999 120.570 0.086 0.000 2.509 165 I HA 0.761 4.932 4.170 0.001 0.000 0.293 165 I C 0.314 176.508 176.117 0.129 0.000 1.020 165 I CA -0.424 60.922 61.300 0.076 0.000 1.088 165 I CB 1.861 39.874 38.000 0.022 0.000 1.267 165 I HN 1.058 nan 8.210 nan 0.000 0.430 166 A N 3.458 126.341 122.820 0.105 0.000 2.515 166 A HA 0.760 5.081 4.320 0.001 0.000 0.296 166 A C -0.386 177.251 177.584 0.088 0.000 1.094 166 A CA -0.539 51.561 52.037 0.105 0.000 0.718 166 A CB 1.927 20.952 19.000 0.041 0.000 1.307 166 A HN 0.607 nan 8.150 nan 0.000 0.408 167 T N 0.022 114.620 114.554 0.073 0.000 2.729 167 T HA 0.479 4.829 4.350 0.001 0.000 0.298 167 T C 1.107 175.801 174.700 -0.009 0.000 1.013 167 T CA 0.449 62.570 62.100 0.034 0.000 0.957 167 T CB 0.097 68.976 68.868 0.017 0.000 1.130 167 T HN 1.637 nan 8.240 nan 0.000 0.526 168 S N -0.041 115.639 115.700 -0.034 0.000 2.626 168 S HA 0.538 5.008 4.470 0.001 0.000 0.257 168 S C 1.343 175.885 174.600 -0.097 0.000 1.288 168 S CA 0.030 58.194 58.200 -0.059 0.000 0.980 168 S CB -0.202 62.958 63.200 -0.066 0.000 0.975 168 S HN 1.679 nan 8.310 nan 0.000 0.577 169 G N 1.440 110.178 108.800 -0.102 0.000 2.634 169 G HA2 -0.287 3.673 3.960 0.001 0.000 0.318 169 G HA3 -0.287 3.673 3.960 0.001 0.000 0.318 169 G C -1.158 173.675 174.900 -0.111 0.000 1.207 169 G CA 0.379 45.404 45.100 -0.125 0.000 0.987 169 G HN 0.750 nan 8.290 nan 0.000 0.547 170 P HA 0.000 nan 4.420 nan 0.000 0.221 170 P C 1.979 179.204 177.300 -0.124 0.000 1.150 170 P CA 2.487 65.513 63.100 -0.123 0.000 0.800 170 P CB -0.678 30.939 31.700 -0.137 0.000 0.787 171 G N 1.037 109.769 108.800 -0.114 0.000 2.459 171 G HA2 -0.259 3.701 3.960 0.001 0.000 0.217 171 G HA3 -0.259 3.701 3.960 0.001 0.000 0.217 171 G C 1.855 176.711 174.900 -0.073 0.000 1.183 171 G CA 1.332 46.375 45.100 -0.095 0.000 0.776 171 G HN 0.344 nan 8.290 nan 0.000 0.552 172 A N 0.774 123.558 122.820 -0.059 0.000 1.883 172 A HA -0.098 4.222 4.320 0.001 0.000 0.217 172 A C 2.674 180.224 177.584 -0.055 0.000 1.186 172 A CA 3.142 55.151 52.037 -0.048 0.000 0.624 172 A CB -1.328 17.647 19.000 -0.043 0.000 0.822 172 A HN 0.620 nan 8.150 nan 0.000 0.444 173 T N -1.857 112.659 114.554 -0.063 0.000 2.833 173 T HA -0.167 4.183 4.350 0.001 0.000 0.269 173 T C 1.441 176.104 174.700 -0.060 0.000 1.054 173 T CA 1.641 63.706 62.100 -0.059 0.000 1.135 173 T CB -0.880 67.952 68.868 -0.059 0.000 0.869 173 T HN 0.633 nan 8.240 nan 0.000 0.466 174 N N 0.886 119.547 118.700 -0.065 0.000 2.520 174 N HA 0.118 4.858 4.740 0.001 0.000 0.185 174 N C 1.477 176.933 175.510 -0.090 0.000 1.068 174 N CA 0.463 53.487 53.050 -0.044 0.000 0.911 174 N CB -0.322 38.147 38.487 -0.030 0.000 0.961 174 N HN 0.412 nan 8.380 nan 0.000 0.446 175 L N -0.195 120.974 121.223 -0.090 0.000 2.418 175 L HA 0.004 4.345 4.340 0.001 0.000 0.218 175 L C 1.984 178.790 176.870 -0.105 0.000 1.125 175 L CA 0.101 54.877 54.840 -0.108 0.000 0.835 175 L CB -0.158 41.862 42.059 -0.065 0.000 0.953 175 L HN 0.028 nan 8.230 nan 0.000 0.454 176 V N -0.236 119.629 119.914 -0.082 0.000 2.282 176 V HA -0.346 3.774 4.120 0.001 0.000 0.249 176 V C 2.619 178.685 176.094 -0.046 0.000 1.057 176 V CA 2.304 64.570 62.300 -0.056 0.000 1.032 176 V CB -0.399 31.396 31.823 -0.047 0.000 0.645 176 V HN 0.427 nan 8.190 nan 0.000 0.447 177 S N 0.154 115.814 115.700 -0.067 0.000 2.370 177 S HA -0.166 4.305 4.470 0.001 0.000 0.226 177 S C 2.012 176.656 174.600 0.073 0.000 1.033 177 S CA 1.404 59.599 58.200 -0.009 0.000 1.011 177 S CB -0.713 62.477 63.200 -0.017 0.000 0.852 177 S HN 0.734 nan 8.310 nan 0.000 0.457 178 G N 1.522 110.305 108.800 -0.030 0.000 2.418 178 G HA2 -0.113 3.847 3.960 0.001 0.000 0.217 178 G HA3 -0.113 3.847 3.960 0.001 0.000 0.217 178 G C 1.330 176.291 174.900 0.103 0.000 1.158 178 G CA 0.582 45.753 45.100 0.118 0.000 0.771 178 G HN 0.436 nan 8.290 nan 0.000 0.545 179 L N 0.716 121.955 121.223 0.028 0.000 1.994 179 L HA -0.050 4.291 4.340 0.001 0.000 0.208 179 L C 3.430 180.314 176.870 0.023 0.000 1.071 179 L CA 1.111 55.962 54.840 0.018 0.000 0.745 179 L CB -0.593 41.462 42.059 -0.006 0.000 0.892 179 L HN 0.281 nan 8.230 nan 0.000 0.431 180 A N 0.017 122.849 122.820 0.021 0.000 1.908 180 A HA -0.315 4.005 4.320 0.001 0.000 0.218 180 A C 1.962 179.557 177.584 0.017 0.000 1.181 180 A CA 2.350 54.395 52.037 0.013 0.000 0.627 180 A CB -0.724 18.281 19.000 0.009 0.000 0.818 180 A HN 0.470 nan 8.150 nan 0.000 0.445 181 D N -0.517 119.914 120.400 0.051 0.000 2.097 181 D HA -0.006 4.635 4.640 0.001 0.000 0.197 181 D C 2.094 178.395 176.300 0.002 0.000 0.984 181 D CA 1.642 55.656 54.000 0.024 0.000 0.826 181 D CB -0.236 40.630 40.800 0.111 0.000 0.973 181 D HN 0.335 nan 8.370 nan 0.000 0.460 182 A N -0.003 122.843 122.820 0.043 0.000 1.902 182 A HA -0.104 4.216 4.320 0.001 0.000 0.217 182 A C 2.148 179.736 177.584 0.006 0.000 1.181 182 A CA 1.336 53.390 52.037 0.028 0.000 0.623 182 A CB -0.878 18.148 19.000 0.044 0.000 0.818 182 A HN 0.382 nan 8.150 nan 0.000 0.443 183 L N -0.426 120.800 121.223 0.005 0.000 2.017 183 L HA -0.070 4.270 4.340 0.001 0.000 0.208 183 L C 2.278 179.143 176.870 -0.007 0.000 1.073 183 L CA 1.703 56.543 54.840 0.000 0.000 0.745 183 L CB -0.485 41.575 42.059 0.001 0.000 0.894 183 L HN 0.389 nan 8.230 nan 0.000 0.432 184 L N -0.829 120.385 121.223 -0.017 0.000 2.141 184 L HA -0.152 4.188 4.340 0.001 0.000 0.209 184 L C 1.295 178.145 176.870 -0.034 0.000 1.094 184 L CA 1.026 55.851 54.840 -0.026 0.000 0.763 184 L CB -0.370 41.667 42.059 -0.037 0.000 0.908 184 L HN 0.287 nan 8.230 nan 0.000 0.437 185 D N -0.932 119.441 120.400 -0.045 0.000 2.349 185 D HA 0.052 4.693 4.640 0.001 0.000 0.214 185 D C 0.442 176.724 176.300 -0.029 0.000 1.063 185 D CA 0.158 54.125 54.000 -0.055 0.000 0.847 185 D CB 0.387 41.125 40.800 -0.102 0.000 0.933 185 D HN -0.039 nan 8.370 nan 0.000 0.513 186 S N -0.360 115.332 115.700 -0.015 0.000 3.608 186 S HA -0.140 4.330 4.470 0.001 0.000 0.382 186 S C -0.017 174.582 174.600 -0.002 0.000 0.945 186 S CA -0.016 58.181 58.200 -0.005 0.000 1.256 186 S CB -1.265 61.934 63.200 -0.001 0.000 0.913 186 S HN 0.099 nan 8.310 nan 0.000 0.518 187 V N 3.166 123.082 119.914 0.002 0.000 2.398 187 V HA 0.439 4.559 4.120 0.001 0.000 0.286 187 V C -1.801 174.302 176.094 0.015 0.000 1.026 187 V CA -1.952 60.356 62.300 0.014 0.000 0.868 187 V CB 1.652 33.491 31.823 0.026 0.000 0.982 187 V HN 0.197 nan 8.190 nan 0.000 0.443 188 P HA 0.352 nan 4.420 nan 0.000 0.276 188 P C -0.988 176.310 177.300 -0.004 0.000 1.243 188 P CA -0.164 62.935 63.100 -0.001 0.000 0.768 188 P CB 1.442 33.148 31.700 0.011 0.000 0.856 189 L N 4.424 125.618 121.223 -0.049 0.000 2.549 189 L HA 0.365 4.706 4.340 0.001 0.000 0.259 189 L C -1.282 175.505 176.870 -0.139 0.000 0.934 189 L CA -0.698 54.107 54.840 -0.057 0.000 0.865 189 L CB 2.519 44.574 42.059 -0.007 0.000 1.352 189 L HN 0.048 nan 8.230 nan 0.000 0.410 190 V N 3.760 123.553 119.914 -0.201 0.000 2.378 190 V HA 0.824 4.944 4.120 0.001 0.000 0.288 190 V C 0.039 176.076 176.094 -0.095 0.000 1.016 190 V CA -0.424 61.733 62.300 -0.238 0.000 0.840 190 V CB 1.419 32.907 31.823 -0.559 0.000 0.994 190 V HN 0.856 nan 8.190 nan 0.000 0.431 191 A N 6.734 129.525 122.820 -0.047 0.000 2.258 191 A HA 0.841 5.161 4.320 0.001 0.000 0.316 191 A C -0.572 177.015 177.584 0.005 0.000 1.279 191 A CA -0.373 51.658 52.037 -0.010 0.000 0.876 191 A CB 0.252 19.247 19.000 -0.008 0.000 1.170 191 A HN 0.786 nan 8.150 nan 0.000 0.520 192 I N 2.784 123.366 120.570 0.019 0.000 2.336 192 I HA 0.392 4.562 4.170 0.001 0.000 0.292 192 I C 0.367 176.502 176.117 0.030 0.000 0.991 192 I CA -0.058 61.258 61.300 0.028 0.000 1.227 192 I CB 2.116 40.138 38.000 0.035 0.000 1.366 192 I HN 0.690 nan 8.210 nan 0.000 0.466 193 T N 2.029 116.598 114.554 0.024 0.000 2.824 193 T HA 0.629 4.979 4.350 0.001 0.000 0.282 193 T C 0.185 174.899 174.700 0.023 0.000 0.993 193 T CA -0.889 61.225 62.100 0.023 0.000 0.967 193 T CB 1.532 70.404 68.868 0.006 0.000 0.960 193 T HN 0.696 nan 8.240 nan 0.000 0.441 194 G N 1.325 110.144 108.800 0.032 0.000 2.554 194 G HA2 0.457 4.418 3.960 0.001 0.000 0.238 194 G HA3 0.457 4.418 3.960 0.001 0.000 0.238 194 G C -0.479 174.426 174.900 0.007 0.000 1.259 194 G CA -0.117 44.999 45.100 0.026 0.000 0.843 194 G HN 0.850 nan 8.290 nan 0.000 0.582 195 Q N -0.493 119.310 119.800 0.006 0.000 2.495 195 Q HA 0.517 4.857 4.340 0.001 0.000 0.287 195 Q C 0.002 176.003 176.000 0.001 0.000 1.078 195 Q CA -0.708 55.093 55.803 -0.004 0.000 0.793 195 Q CB 1.904 30.641 28.738 -0.002 0.000 1.459 195 Q HN 0.960 nan 8.270 nan 0.000 0.422 196 V N -0.160 119.753 119.914 -0.002 0.000 3.287 196 V HA 0.494 4.614 4.120 0.001 0.000 0.306 196 V C -2.198 173.905 176.094 0.015 0.000 1.103 196 V CA -1.348 60.960 62.300 0.013 0.000 1.159 196 V CB -0.391 31.443 31.823 0.017 0.000 1.036 196 V HN 0.782 nan 8.190 nan 0.000 0.487 197 P HA 0.138 nan 4.420 nan 0.000 0.265 197 P C 0.630 177.936 177.300 0.010 0.000 1.187 197 P CA 0.199 63.308 63.100 0.015 0.000 0.766 197 P CB 0.276 31.987 31.700 0.018 0.000 0.820 198 R N 2.664 123.167 120.500 0.006 0.000 2.119 198 R HA -0.239 4.101 4.340 0.001 0.000 0.246 198 R C 2.197 178.500 176.300 0.004 0.000 1.146 198 R CA 1.892 57.994 56.100 0.003 0.000 0.962 198 R CB -0.408 29.892 30.300 0.000 0.000 0.863 198 R HN 0.583 nan 8.270 nan 0.000 0.442 199 R N 0.010 120.513 120.500 0.005 0.000 2.235 199 R HA 0.000 4.341 4.340 0.001 0.000 0.213 199 R C 1.452 177.757 176.300 0.008 0.000 1.059 199 R CA 0.943 57.046 56.100 0.005 0.000 0.997 199 R CB -0.005 30.298 30.300 0.004 0.000 0.884 199 R HN 0.134 nan 8.270 nan 0.000 0.462 200 M N 1.209 120.816 119.600 0.012 0.000 2.558 200 M HA 0.200 4.680 4.480 0.001 0.000 0.255 200 M C 0.784 177.091 176.300 0.013 0.000 1.113 200 M CA 0.043 55.354 55.300 0.017 0.000 1.097 200 M CB -0.241 32.375 32.600 0.027 0.000 1.426 200 M HN 0.057 nan 8.290 nan 0.000 0.488 201 I N 0.951 121.525 120.570 0.007 0.000 2.683 201 I HA 0.092 4.262 4.170 0.001 0.000 0.286 201 I C 1.466 177.584 176.117 0.002 0.000 1.175 201 I CA 0.601 61.903 61.300 0.003 0.000 1.429 201 I CB 0.045 38.044 38.000 -0.000 0.000 1.371 201 I HN 0.612 nan 8.210 nan 0.000 0.569 202 G N 3.918 112.718 108.800 -0.000 0.000 2.159 202 G HA2 -0.307 3.654 3.960 0.001 0.000 0.256 202 G HA3 -0.307 3.654 3.960 0.001 0.000 0.256 202 G C 0.717 175.618 174.900 0.003 0.000 0.977 202 G CA 0.585 45.684 45.100 -0.001 0.000 0.652 202 G HN 0.784 nan 8.290 nan 0.000 0.531 203 T N -1.924 112.634 114.554 0.007 0.000 3.105 203 T HA 0.375 4.725 4.350 0.001 0.000 0.253 203 T C 0.680 175.389 174.700 0.015 0.000 1.047 203 T CA 0.853 62.960 62.100 0.011 0.000 0.944 203 T CB 0.074 68.951 68.868 0.014 0.000 1.016 203 T HN 0.539 nan 8.240 nan 0.000 0.544 204 D N 1.120 121.527 120.400 0.012 0.000 2.699 204 D HA -0.126 4.515 4.640 0.001 0.000 0.239 204 D C 0.451 176.771 176.300 0.034 0.000 1.136 204 D CA 0.846 54.855 54.000 0.016 0.000 0.668 204 D CB -1.671 39.138 40.800 0.015 0.000 1.060 204 D HN 0.827 nan 8.370 nan 0.000 0.429 205 A N -0.109 122.734 122.820 0.038 0.000 2.366 205 A HA 0.389 4.709 4.320 0.001 0.000 0.250 205 A C 0.379 178.027 177.584 0.108 0.000 1.099 205 A CA -0.388 51.693 52.037 0.074 0.000 0.794 205 A CB 0.234 19.273 19.000 0.063 0.000 1.056 205 A HN 0.203 nan 8.150 nan 0.000 0.499 206 F N 1.053 120.998 119.950 -0.008 0.000 2.593 206 F HA 0.116 4.643 4.527 0.000 0.000 0.393 206 F C 1.195 176.990 175.800 -0.009 0.000 1.037 206 F CA 1.206 59.201 58.000 -0.009 0.000 1.195 206 F CB -0.450 38.545 39.000 -0.008 0.000 1.034 206 F HN 0.763 nan 8.300 nan 0.000 0.552 207 Q N 2.222 121.688 119.800 -0.556 0.000 2.475 207 Q HA -0.303 4.037 4.340 0.001 0.000 0.280 207 Q C -0.228 175.636 176.000 -0.226 0.000 1.234 207 Q CA 1.128 56.632 55.803 -0.498 0.000 0.873 207 Q CB -1.461 26.841 28.738 -0.726 0.000 1.256 207 Q HN 0.844 nan 8.270 nan 0.000 0.475 208 E N 0.750 120.873 120.200 -0.128 0.000 2.197 208 E HA 0.399 4.750 4.350 0.001 0.000 0.281 208 E C -0.803 175.759 176.600 -0.064 0.000 0.995 208 E CA -0.105 56.252 56.400 -0.071 0.000 0.808 208 E CB 1.107 30.789 29.700 -0.030 0.000 1.093 208 E HN 0.090 nan 8.360 nan 0.000 0.394 209 T N 5.351 119.871 114.554 -0.057 0.000 2.886 209 T HA 0.348 4.699 4.350 0.001 0.000 0.292 209 T C -2.538 172.141 174.700 -0.037 0.000 1.012 209 T CA -1.431 60.640 62.100 -0.047 0.000 0.982 209 T CB 1.769 70.605 68.868 -0.055 0.000 1.018 209 T HN 0.381 nan 8.240 nan 0.000 0.451 210 P HA 0.258 nan 4.420 nan 0.000 0.237 210 P C 0.737 178.018 177.300 -0.031 0.000 1.788 210 P CA -0.324 62.760 63.100 -0.028 0.000 1.061 210 P CB -0.187 31.499 31.700 -0.024 0.000 1.967 211 I N 2.513 123.064 120.570 -0.032 0.000 2.361 211 I HA -0.218 3.953 4.170 0.001 0.000 0.251 211 I C 2.027 178.121 176.117 -0.037 0.000 1.133 211 I CA 1.373 62.652 61.300 -0.035 0.000 1.413 211 I CB -0.215 37.765 38.000 -0.033 0.000 1.073 211 I HN -0.060 nan 8.210 nan 0.000 0.424 212 V N 0.346 120.236 119.914 -0.039 0.000 2.343 212 V HA -0.282 3.839 4.120 0.001 0.000 0.247 212 V C 2.520 178.583 176.094 -0.052 0.000 1.051 212 V CA 2.113 64.381 62.300 -0.053 0.000 1.036 212 V CB -0.675 31.114 31.823 -0.056 0.000 0.654 212 V HN 0.460 nan 8.190 nan 0.000 0.451 213 E N 0.132 120.308 120.200 -0.041 0.000 2.072 213 E HA -0.164 4.186 4.350 0.001 0.000 0.191 213 E C 2.063 178.643 176.600 -0.033 0.000 0.985 213 E CA 1.532 57.911 56.400 -0.035 0.000 0.801 213 E CB -0.358 29.325 29.700 -0.028 0.000 0.750 213 E HN 0.333 nan 8.360 nan 0.000 0.452 214 V N 0.407 120.301 119.914 -0.033 0.000 2.343 214 V HA -0.234 3.886 4.120 0.001 0.000 0.247 214 V C 2.309 178.384 176.094 -0.031 0.000 1.051 214 V CA 2.265 64.546 62.300 -0.031 0.000 1.036 214 V CB -0.827 30.976 31.823 -0.033 0.000 0.654 214 V HN 0.601 nan 8.190 nan 0.000 0.451 215 T N -2.628 111.904 114.554 -0.036 0.000 3.086 215 T HA 0.044 4.394 4.350 0.001 0.000 0.250 215 T C 1.689 176.367 174.700 -0.038 0.000 1.074 215 T CA 0.190 62.269 62.100 -0.035 0.000 0.988 215 T CB -0.141 68.705 68.868 -0.038 0.000 0.988 215 T HN 0.367 nan 8.240 nan 0.000 0.530 216 R N 2.072 122.547 120.500 -0.040 0.000 2.091 216 R HA -0.120 4.220 4.340 0.001 0.000 0.238 216 R C 2.404 178.691 176.300 -0.023 0.000 1.136 216 R CA 2.017 58.094 56.100 -0.040 0.000 0.959 216 R CB -0.401 29.876 30.300 -0.038 0.000 0.856 216 R HN 0.565 nan 8.270 nan 0.000 0.437 217 S N 0.024 115.713 115.700 -0.019 0.000 2.562 217 S HA -0.006 4.465 4.470 0.001 0.000 0.221 217 S C 1.558 176.152 174.600 -0.010 0.000 0.975 217 S CA 0.408 58.601 58.200 -0.012 0.000 0.918 217 S CB -0.156 63.036 63.200 -0.012 0.000 0.772 217 S HN 0.576 nan 8.310 nan 0.000 0.531 218 I N -0.009 120.553 120.570 -0.014 0.000 3.947 218 I HA 0.396 4.566 4.170 0.001 0.000 0.327 218 I C -0.163 175.949 176.117 -0.009 0.000 1.519 218 I CA -0.580 60.713 61.300 -0.011 0.000 1.122 218 I CB 0.325 38.318 38.000 -0.012 0.000 1.146 218 I HN 0.183 nan 8.210 nan 0.000 0.442 219 T N -3.141 111.407 114.554 -0.009 0.000 2.906 219 T HA 0.350 4.701 4.350 0.001 0.000 0.295 219 T C 0.458 175.163 174.700 0.009 0.000 1.075 219 T CA -0.745 61.351 62.100 -0.006 0.000 1.005 219 T CB 2.878 71.734 68.868 -0.021 0.000 1.136 219 T HN 0.156 nan 8.240 nan 0.000 0.498 220 K N -0.135 120.276 120.400 0.018 0.000 2.097 220 K HA -0.060 4.260 4.320 0.001 0.000 0.205 220 K C 0.240 176.888 176.600 0.080 0.000 1.050 220 K CA 1.292 57.600 56.287 0.034 0.000 0.938 220 K CB 0.010 32.522 32.500 0.020 0.000 0.718 220 K HN 0.755 nan 8.250 nan 0.000 0.442 221 H N -1.279 117.741 119.070 -0.083 0.000 3.024 221 H HA 0.282 4.838 4.556 0.001 0.000 0.324 221 H C -1.763 173.470 175.328 -0.157 0.000 1.347 221 H CA -1.072 54.885 56.048 -0.152 0.000 1.182 221 H CB 1.119 30.764 29.762 -0.196 0.000 1.889 221 H HN 0.271 nan 8.280 nan 0.000 0.528 222 N N 0.504 118.748 118.700 -0.760 0.000 2.853 222 N HA 0.421 5.161 4.740 0.001 0.000 0.258 222 N C -1.971 173.034 175.510 -0.842 0.000 1.444 222 N CA -0.689 52.041 53.050 -0.532 0.000 0.837 222 N CB 1.569 39.919 38.487 -0.227 0.000 1.489 222 N HN 0.436 nan 8.380 nan 0.000 0.529 223 Y N -1.143 119.014 120.300 -0.238 0.000 2.513 223 Y HA 0.542 5.092 4.550 0.001 0.000 0.340 223 Y C -1.260 174.583 175.900 -0.095 0.000 1.055 223 Y CA -0.998 57.004 58.100 -0.164 0.000 1.020 223 Y CB 2.124 40.521 38.460 -0.106 0.000 1.301 223 Y HN 0.588 nan 8.280 nan 0.000 0.453 224 L N 3.823 125.098 121.223 0.087 0.000 2.294 224 L HA 0.648 4.988 4.340 0.001 0.000 0.283 224 L C -1.194 175.713 176.870 0.062 0.000 1.015 224 L CA -0.654 54.217 54.840 0.052 0.000 0.831 224 L CB 0.961 43.029 42.059 0.014 0.000 1.217 224 L HN 0.449 nan 8.230 nan 0.000 0.420 225 V N 7.062 127.003 119.914 0.044 0.000 2.479 225 V HA 0.103 4.223 4.120 0.001 0.000 0.281 225 V C 1.092 177.191 176.094 0.008 0.000 1.031 225 V CA 0.111 62.422 62.300 0.018 0.000 1.038 225 V CB 0.954 32.772 31.823 -0.008 0.000 0.981 225 V HN 0.822 nan 8.190 nan 0.000 0.478 226 M N 2.517 122.120 119.600 0.005 0.000 2.313 226 M HA 0.353 4.833 4.480 0.001 0.000 0.273 226 M C 0.142 176.435 176.300 -0.011 0.000 1.049 226 M CA 0.450 55.750 55.300 -0.000 0.000 1.004 226 M CB 0.118 32.721 32.600 0.006 0.000 1.461 226 M HN 0.704 nan 8.290 nan 0.000 0.514 227 D N -0.327 120.060 120.400 -0.021 0.000 2.927 227 D HA 0.089 4.729 4.640 0.001 0.000 0.219 227 D C 0.360 176.629 176.300 -0.051 0.000 1.248 227 D CA -0.087 53.893 54.000 -0.034 0.000 0.861 227 D CB 3.085 43.864 40.800 -0.035 0.000 1.677 227 D HN -0.177 nan 8.370 nan 0.000 0.511 228 V N 3.922 123.801 119.914 -0.058 0.000 2.453 228 V HA -0.204 3.917 4.120 0.001 0.000 0.252 228 V C 1.832 177.860 176.094 -0.111 0.000 1.068 228 V CA 1.951 64.203 62.300 -0.079 0.000 1.070 228 V CB -0.222 31.555 31.823 -0.077 0.000 0.664 228 V HN 0.534 nan 8.190 nan 0.000 0.461 229 E N -0.389 119.748 120.200 -0.105 0.000 2.267 229 E HA -0.211 4.139 4.350 0.001 0.000 0.197 229 E C 1.611 178.130 176.600 -0.136 0.000 0.998 229 E CA 1.422 57.745 56.400 -0.129 0.000 0.830 229 E CB -0.289 29.350 29.700 -0.101 0.000 0.751 229 E HN 0.687 nan 8.360 nan 0.000 0.491 230 D N 0.261 120.597 120.400 -0.106 0.000 2.348 230 D HA 0.067 4.707 4.640 0.001 0.000 0.211 230 D C 1.909 178.136 176.300 -0.122 0.000 0.998 230 D CA 0.029 53.970 54.000 -0.100 0.000 0.873 230 D CB 0.002 40.764 40.800 -0.064 0.000 0.925 230 D HN 0.194 nan 8.370 nan 0.000 0.524 231 I N 1.526 122.018 120.570 -0.130 0.000 2.127 231 I HA -0.222 3.949 4.170 0.001 0.000 0.241 231 I C -0.593 175.456 176.117 -0.113 0.000 1.075 231 I CA 1.294 62.525 61.300 -0.115 0.000 1.334 231 I CB -1.328 36.613 38.000 -0.098 0.000 1.040 231 I HN 0.002 nan 8.210 nan 0.000 0.405 232 P HA -0.190 nan 4.420 nan 0.000 0.216 232 P C 1.621 178.890 177.300 -0.052 0.000 1.153 232 P CA 1.528 64.548 63.100 -0.133 0.000 0.858 232 P CB -0.132 31.320 31.700 -0.413 0.000 0.789 233 R N -0.451 119.992 120.500 -0.096 0.000 2.066 233 R HA -0.059 4.282 4.340 0.001 0.000 0.232 233 R C 2.285 178.520 176.300 -0.108 0.000 1.131 233 R CA 1.313 57.367 56.100 -0.076 0.000 0.955 233 R CB -0.781 29.473 30.300 -0.076 0.000 0.851 233 R HN 0.150 nan 8.270 nan 0.000 0.432 234 I N 0.803 121.262 120.570 -0.184 0.000 2.179 234 I HA -0.295 3.875 4.170 0.001 0.000 0.242 234 I C 2.115 178.070 176.117 -0.270 0.000 1.088 234 I CA 0.819 61.882 61.300 -0.396 0.000 1.357 234 I CB -0.189 37.525 38.000 -0.476 0.000 1.051 234 I HN 0.190 nan 8.210 nan 0.000 0.409 235 I N 0.712 121.231 120.570 -0.086 0.000 2.163 235 I HA -0.312 3.858 4.170 0.001 0.000 0.243 235 I C 2.534 178.755 176.117 0.173 0.000 1.085 235 I CA 1.679 63.030 61.300 0.085 0.000 1.347 235 I CB -1.275 36.786 38.000 0.101 0.000 1.044 235 I HN 0.390 nan 8.210 nan 0.000 0.408 236 E N 0.895 121.143 120.200 0.079 0.000 2.077 236 E HA -0.231 4.119 4.350 0.001 0.000 0.193 236 E C 2.060 178.762 176.600 0.169 0.000 0.989 236 E CA 1.313 57.775 56.400 0.102 0.000 0.800 236 E CB 0.084 29.810 29.700 0.043 0.000 0.746 236 E HN 0.498 nan 8.360 nan 0.000 0.452 237 E N 0.033 120.288 120.200 0.092 0.000 2.077 237 E HA -0.200 4.150 4.350 0.001 0.000 0.193 237 E C 2.059 178.797 176.600 0.230 0.000 0.989 237 E CA 0.834 57.325 56.400 0.152 0.000 0.800 237 E CB -0.142 29.618 29.700 0.100 0.000 0.746 237 E HN 0.337 nan 8.360 nan 0.000 0.452 238 A N 0.851 123.760 122.820 0.150 0.000 1.883 238 A HA -0.190 4.130 4.320 0.001 0.000 0.217 238 A C 1.911 179.560 177.584 0.108 0.000 1.186 238 A CA 1.317 53.449 52.037 0.158 0.000 0.624 238 A CB -0.778 18.263 19.000 0.067 0.000 0.822 238 A HN 0.173 nan 8.150 nan 0.000 0.444 239 F N -1.685 118.319 119.950 0.091 0.000 2.186 239 F HA -0.043 4.485 4.527 0.001 0.000 0.299 239 F C 1.996 177.864 175.800 0.114 0.000 1.090 239 F CA 1.368 59.423 58.000 0.090 0.000 1.307 239 F CB -0.606 38.441 39.000 0.079 0.000 1.019 239 F HN 0.348 nan 8.300 nan 0.000 0.489 240 F N 0.381 120.446 119.950 0.192 0.000 2.134 240 F HA -0.168 4.359 4.527 0.001 0.000 0.299 240 F C 1.940 177.771 175.800 0.052 0.000 1.097 240 F CA 1.561 59.631 58.000 0.116 0.000 1.264 240 F CB -0.484 38.570 39.000 0.090 0.000 1.001 240 F HN -0.143 nan 8.300 nan 0.000 0.479 241 L N -0.325 120.909 121.223 0.019 0.000 2.109 241 L HA -0.104 4.236 4.340 0.001 0.000 0.207 241 L C 2.748 179.533 176.870 -0.141 0.000 1.086 241 L CA 1.018 55.742 54.840 -0.193 0.000 0.760 241 L CB -1.034 40.947 42.059 -0.130 0.000 0.910 241 L HN 0.205 nan 8.230 nan 0.000 0.437 242 A N -0.225 122.549 122.820 -0.076 0.000 1.972 242 A HA -0.184 4.136 4.320 0.001 0.000 0.219 242 A C 2.325 179.869 177.584 -0.067 0.000 1.169 242 A CA 2.184 54.174 52.037 -0.079 0.000 0.635 242 A CB -0.665 18.254 19.000 -0.135 0.000 0.810 242 A HN 0.518 nan 8.150 nan 0.000 0.446 243 T N -3.165 111.343 114.554 -0.077 0.000 2.990 243 T HA 0.201 4.551 4.350 0.001 0.000 0.249 243 T C 1.047 175.684 174.700 -0.103 0.000 1.039 243 T CA 0.669 62.738 62.100 -0.052 0.000 1.036 243 T CB -0.499 68.378 68.868 0.016 0.000 0.994 243 T HN 0.554 nan 8.240 nan 0.000 0.489 244 S N 0.239 115.804 115.700 -0.225 0.000 2.693 244 S HA 0.664 5.135 4.470 0.001 0.000 0.276 244 S C 1.305 175.859 174.600 -0.076 0.000 1.192 244 S CA -0.044 58.007 58.200 -0.248 0.000 0.994 244 S CB 0.589 63.396 63.200 -0.654 0.000 1.012 244 S HN 1.208 nan 8.310 nan 0.000 0.550 245 G N 1.656 110.422 108.800 -0.055 0.000 2.634 245 G HA2 -0.344 3.616 3.960 0.001 0.000 0.309 245 G HA3 -0.344 3.616 3.960 0.001 0.000 0.309 245 G C -0.043 174.848 174.900 -0.016 0.000 1.265 245 G CA 0.503 45.585 45.100 -0.030 0.000 0.998 245 G HN 1.071 nan 8.290 nan 0.000 0.551 246 R N 2.006 122.511 120.500 0.009 0.000 2.242 246 R HA 0.438 4.778 4.340 0.001 0.000 0.334 246 R C -2.215 174.093 176.300 0.014 0.000 1.071 246 R CA -1.381 54.724 56.100 0.007 0.000 0.922 246 R CB 0.503 30.809 30.300 0.012 0.000 1.023 246 R HN 0.257 nan 8.270 nan 0.000 0.458 247 P HA 0.148 nan 4.420 nan 0.000 0.268 247 P C -0.550 176.748 177.300 -0.002 0.000 1.208 247 P CA -0.009 63.086 63.100 -0.007 0.000 0.777 247 P CB 1.040 32.737 31.700 -0.005 0.000 0.875 248 G N 0.922 109.716 108.800 -0.009 0.000 2.506 248 G HA2 0.484 4.445 3.960 0.001 0.000 0.292 248 G HA3 0.484 4.445 3.960 0.001 0.000 0.292 248 G C -3.347 171.544 174.900 -0.014 0.000 1.425 248 G CA -0.931 44.166 45.100 -0.005 0.000 0.788 248 G HN 0.256 nan 8.290 nan 0.000 0.490 249 P HA 0.524 nan 4.420 nan 0.000 0.285 249 P C -0.695 176.597 177.300 -0.013 0.000 1.259 249 P CA -0.414 62.677 63.100 -0.016 0.000 0.794 249 P CB 1.995 33.693 31.700 -0.004 0.000 0.940 250 V N 4.720 124.619 119.914 -0.025 0.000 2.540 250 V HA 0.391 4.512 4.120 0.001 0.000 0.302 250 V C 0.175 176.272 176.094 0.006 0.000 1.035 250 V CA -0.808 61.498 62.300 0.010 0.000 0.873 250 V CB 1.911 33.767 31.823 0.054 0.000 0.992 250 V HN 0.478 nan 8.190 nan 0.000 0.428 251 L N 5.404 126.637 121.223 0.017 0.000 2.317 251 L HA 0.796 5.136 4.340 0.001 0.000 0.281 251 L C -1.046 175.866 176.870 0.071 0.000 1.024 251 L CA -0.394 54.456 54.840 0.017 0.000 0.810 251 L CB 1.796 43.848 42.059 -0.011 0.000 1.240 251 L HN 0.479 nan 8.230 nan 0.000 0.427 252 V N 3.689 123.642 119.914 0.064 0.000 2.376 252 V HA 0.320 4.440 4.120 0.001 0.000 0.287 252 V C -0.881 175.240 176.094 0.045 0.000 1.015 252 V CA -0.565 61.784 62.300 0.082 0.000 0.834 252 V CB 1.512 33.362 31.823 0.044 0.000 1.001 252 V HN 0.674 nan 8.190 nan 0.000 0.428 253 D N 3.684 124.110 120.400 0.044 0.000 2.274 253 D HA 0.522 5.162 4.640 0.001 0.000 0.239 253 D C -0.673 175.639 176.300 0.020 0.000 1.104 253 D CA 0.029 54.042 54.000 0.022 0.000 0.840 253 D CB 1.762 42.568 40.800 0.010 0.000 1.100 253 D HN 0.292 nan 8.370 nan 0.000 0.477 254 V N 6.039 125.962 119.914 0.015 0.000 2.325 254 V HA 0.351 4.471 4.120 0.001 0.000 0.280 254 V C -2.183 173.916 176.094 0.009 0.000 1.016 254 V CA -1.781 60.525 62.300 0.011 0.000 0.818 254 V CB 1.308 33.138 31.823 0.012 0.000 1.019 254 V HN 0.513 nan 8.190 nan 0.000 0.434 255 P HA 0.085 nan 4.420 nan 0.000 0.267 255 P C 0.853 178.158 177.300 0.008 0.000 1.200 255 P CA 0.022 63.126 63.100 0.006 0.000 0.772 255 P CB 0.933 32.635 31.700 0.003 0.000 0.855 256 K N 2.622 123.030 120.400 0.013 0.000 2.097 256 K HA -0.193 4.127 4.320 0.001 0.000 0.206 256 K C 1.271 177.878 176.600 0.011 0.000 1.049 256 K CA 1.842 58.139 56.287 0.017 0.000 0.933 256 K CB -0.257 32.258 32.500 0.025 0.000 0.717 256 K HN 0.566 nan 8.250 nan 0.000 0.442 257 D N 0.488 120.893 120.400 0.008 0.000 2.178 257 D HA -0.186 4.454 4.640 0.001 0.000 0.202 257 D C 1.909 178.206 176.300 -0.006 0.000 0.974 257 D CA 0.934 54.936 54.000 0.002 0.000 0.841 257 D CB -0.411 40.390 40.800 0.001 0.000 0.953 257 D HN 0.314 nan 8.370 nan 0.000 0.478 258 I N 0.431 120.996 120.570 -0.008 0.000 2.439 258 I HA -0.222 3.948 4.170 0.001 0.000 0.251 258 I C 2.551 178.657 176.117 -0.019 0.000 1.139 258 I CA 0.797 62.087 61.300 -0.017 0.000 1.438 258 I CB -0.167 37.822 38.000 -0.018 0.000 1.085 258 I HN -0.081 nan 8.210 nan 0.000 0.427 259 Q N 0.130 119.925 119.800 -0.007 0.000 2.226 259 Q HA -0.250 4.091 4.340 0.001 0.000 0.204 259 Q C 1.896 177.892 176.000 -0.007 0.000 0.975 259 Q CA 1.298 57.099 55.803 -0.003 0.000 0.866 259 Q CB -0.042 28.704 28.738 0.013 0.000 0.915 259 Q HN 0.606 nan 8.270 nan 0.000 0.440 260 Q N -0.228 119.568 119.800 -0.006 0.000 2.396 260 Q HA 0.046 4.386 4.340 0.001 0.000 0.209 260 Q C 0.179 176.168 176.000 -0.017 0.000 0.906 260 Q CA -0.154 55.646 55.803 -0.006 0.000 0.927 260 Q CB 0.498 29.237 28.738 0.001 0.000 1.069 260 Q HN 0.276 nan 8.270 nan 0.000 0.523 261 Q N 1.296 121.081 119.800 -0.025 0.000 2.311 261 Q HA 0.136 4.477 4.340 0.001 0.000 0.272 261 Q C -0.929 175.042 176.000 -0.049 0.000 1.012 261 Q CA -0.061 55.722 55.803 -0.033 0.000 0.891 261 Q CB 0.546 29.262 28.738 -0.036 0.000 1.201 261 Q HN 0.222 nan 8.270 nan 0.000 0.391 262 L N 3.157 124.353 121.223 -0.047 0.000 2.349 262 L HA 0.603 4.943 4.340 0.001 0.000 0.275 262 L C -0.125 176.701 176.870 -0.073 0.000 1.115 262 L CA -0.300 54.503 54.840 -0.061 0.000 0.820 262 L CB 0.968 43.002 42.059 -0.042 0.000 1.135 262 L HN 0.746 nan 8.230 nan 0.000 0.445 263 A N 3.960 126.720 122.820 -0.099 0.000 2.610 263 A HA 0.729 5.049 4.320 0.001 0.000 0.291 263 A C -1.196 176.311 177.584 -0.129 0.000 1.086 263 A CA -0.568 51.404 52.037 -0.108 0.000 0.677 263 A CB 1.130 20.058 19.000 -0.120 0.000 1.278 263 A HN 0.561 nan 8.150 nan 0.000 0.414 264 I N 2.726 123.224 120.570 -0.121 0.000 2.307 264 I HA 0.349 4.519 4.170 0.001 0.000 0.289 264 I C -1.907 174.088 176.117 -0.202 0.000 1.021 264 I CA -1.673 59.554 61.300 -0.122 0.000 1.224 264 I CB 1.614 39.571 38.000 -0.070 0.000 1.376 264 I HN 0.448 nan 8.210 nan 0.000 0.470 265 P HA 0.057 nan 4.420 nan 0.000 0.271 265 P C -1.034 175.869 177.300 -0.661 0.000 1.216 265 P CA -0.329 62.411 63.100 -0.601 0.000 0.776 265 P CB 0.856 31.992 31.700 -0.940 0.000 0.881 266 N N 1.845 120.168 118.700 -0.628 0.000 2.444 266 N HA 0.140 4.880 4.740 0.001 0.000 0.262 266 N C -0.227 175.007 175.510 -0.461 0.000 0.974 266 N CA -0.567 52.226 53.050 -0.429 0.000 0.933 266 N CB 0.593 38.949 38.487 -0.218 0.000 1.137 266 N HN 0.408 nan 8.380 nan 0.000 0.498 267 W N 1.693 122.968 121.300 -0.042 0.000 3.290 267 W HA 0.214 4.874 4.660 0.001 0.000 0.287 267 W C 1.203 177.689 176.519 -0.055 0.000 1.288 267 W CA -0.389 56.920 57.345 -0.059 0.000 1.725 267 W CB 0.640 30.061 29.460 -0.066 0.000 1.103 267 W HN 0.484 nan 8.180 nan 0.000 0.670 268 E N 0.316 120.578 120.200 0.102 0.000 2.479 268 E HA 0.035 4.385 4.350 0.001 0.000 0.193 268 E C 0.360 176.969 176.600 0.014 0.000 1.049 268 E CA 0.289 56.724 56.400 0.058 0.000 0.870 268 E CB -0.279 29.446 29.700 0.043 0.000 0.944 268 E HN 0.418 nan 8.360 nan 0.000 0.492 269 Q N 0.606 120.400 119.800 -0.010 0.000 2.361 269 Q HA 0.246 4.586 4.340 0.001 0.000 0.276 269 Q C -0.126 175.859 176.000 -0.025 0.000 1.022 269 Q CA -0.065 55.720 55.803 -0.030 0.000 0.898 269 Q CB 0.755 29.459 28.738 -0.056 0.000 1.246 269 Q HN 0.085 nan 8.270 nan 0.000 0.410 270 A N 3.447 126.250 122.820 -0.028 0.000 2.363 270 A HA 0.304 4.625 4.320 0.001 0.000 0.270 270 A C -0.052 177.509 177.584 -0.039 0.000 1.121 270 A CA -0.420 51.596 52.037 -0.035 0.000 0.800 270 A CB 0.302 19.285 19.000 -0.029 0.000 1.052 270 A HN 0.757 nan 8.150 nan 0.000 0.493 271 M N 1.634 121.198 119.600 -0.059 0.000 2.245 271 M HA 0.115 4.596 4.480 0.001 0.000 0.344 271 M C 0.546 176.830 176.300 -0.027 0.000 1.170 271 M CA 0.764 56.031 55.300 -0.055 0.000 1.135 271 M CB 0.413 32.941 32.600 -0.120 0.000 1.574 271 M HN 0.627 nan 8.290 nan 0.000 0.452 272 R N 3.769 124.275 120.500 0.010 0.000 3.785 272 R HA 0.350 4.690 4.340 0.001 0.000 0.255 272 R C -0.843 175.488 176.300 0.050 0.000 1.485 272 R CA -0.056 56.062 56.100 0.031 0.000 1.555 272 R CB -0.174 30.155 30.300 0.048 0.000 1.362 272 R HN 0.609 nan 8.270 nan 0.000 0.702 273 L N 1.288 122.534 121.223 0.039 0.000 2.783 273 L HA 0.297 4.637 4.340 0.001 0.000 0.265 273 L C -1.893 175.034 176.870 0.096 0.000 1.398 273 L CA -1.388 53.499 54.840 0.078 0.000 0.802 273 L CB 1.353 43.475 42.059 0.105 0.000 1.126 273 L HN 0.109 nan 8.230 nan 0.000 0.529 274 P HA -0.091 nan 4.420 nan 0.000 0.216 274 P C 1.695 179.033 177.300 0.063 0.000 1.153 274 P CA 1.122 64.251 63.100 0.049 0.000 0.848 274 P CB 0.336 32.054 31.700 0.030 0.000 0.787 275 G N -1.042 107.800 108.800 0.071 0.000 2.434 275 G HA2 -0.306 3.654 3.960 0.001 0.000 0.214 275 G HA3 -0.306 3.654 3.960 0.001 0.000 0.214 275 G C 1.598 176.551 174.900 0.089 0.000 1.202 275 G CA 0.671 45.809 45.100 0.063 0.000 0.788 275 G HN 0.198 nan 8.290 nan 0.000 0.539 276 Y N 0.816 121.123 120.300 0.012 0.000 2.081 276 Y HA -0.171 4.379 4.550 0.000 0.000 0.280 276 Y C 2.971 178.916 175.900 0.076 0.000 1.163 276 Y CA 2.289 60.411 58.100 0.037 0.000 1.135 276 Y CB -0.161 38.331 38.460 0.054 0.000 0.970 276 Y HN 0.165 nan 8.280 nan 0.000 0.498 277 M N -0.554 119.200 119.600 0.257 0.000 2.213 277 M HA -0.206 4.275 4.480 0.001 0.000 0.263 277 M C 2.362 178.688 176.300 0.043 0.000 1.062 277 M CA 1.950 57.354 55.300 0.173 0.000 1.105 277 M CB -0.259 32.428 32.600 0.146 0.000 1.385 277 M HN 0.478 nan 8.290 nan 0.000 0.417 278 S N 0.660 116.372 115.700 0.020 0.000 2.436 278 S HA -0.111 4.360 4.470 0.001 0.000 0.228 278 S C 1.542 176.118 174.600 -0.041 0.000 1.014 278 S CA 0.511 58.708 58.200 -0.006 0.000 0.950 278 S CB -0.413 62.788 63.200 0.001 0.000 0.784 278 S HN 0.637 nan 8.310 nan 0.000 0.504 279 R N 0.404 120.855 120.500 -0.081 0.000 2.609 279 R HA 0.410 4.750 4.340 0.001 0.000 0.326 279 R C -0.054 176.130 176.300 -0.194 0.000 1.090 279 R CA -0.321 55.709 56.100 -0.117 0.000 1.072 279 R CB -0.263 29.977 30.300 -0.101 0.000 1.330 279 R HN 0.327 nan 8.270 nan 0.000 0.572 280 M N 2.498 121.987 119.600 -0.185 0.000 2.228 280 M HA 0.241 4.721 4.480 0.001 0.000 0.351 280 M C -1.982 174.247 176.300 -0.118 0.000 1.233 280 M CA -1.476 53.710 55.300 -0.190 0.000 1.129 280 M CB 0.752 33.294 32.600 -0.097 0.000 1.604 280 M HN -0.069 nan 8.290 nan 0.000 0.457 281 P HA 0.141 nan 4.420 nan 0.000 0.269 281 P C -0.827 176.430 177.300 -0.072 0.000 1.209 281 P CA 0.094 63.135 63.100 -0.099 0.000 0.776 281 P CB 0.590 32.225 31.700 -0.108 0.000 0.876 282 K N 2.716 123.076 120.400 -0.067 0.000 2.132 282 K HA 0.455 4.775 4.320 0.001 0.000 0.241 282 K C -2.193 174.376 176.600 -0.052 0.000 1.000 282 K CA -1.816 54.443 56.287 -0.048 0.000 0.911 282 K CB -0.233 32.243 32.500 -0.039 0.000 1.093 282 K HN 0.321 nan 8.250 nan 0.000 0.460 283 P HA 0.036 nan 4.420 nan 0.000 0.266 283 P C -2.426 174.847 177.300 -0.044 0.000 1.195 283 P CA -0.776 62.303 63.100 -0.035 0.000 0.768 283 P CB -0.249 31.441 31.700 -0.017 0.000 0.838 284 P HA 0.033 nan 4.420 nan 0.000 0.269 284 P C -0.298 176.994 177.300 -0.013 0.000 1.209 284 P CA 0.133 63.195 63.100 -0.063 0.000 0.776 284 P CB 0.743 32.399 31.700 -0.073 0.000 0.876 285 E N 1.948 122.159 120.200 0.019 0.000 2.373 285 E HA 0.006 4.356 4.350 0.001 0.000 0.267 285 E C 0.679 177.335 176.600 0.094 0.000 1.032 285 E CA -0.263 56.188 56.400 0.086 0.000 0.889 285 E CB 0.619 30.440 29.700 0.202 0.000 0.984 285 E HN 0.402 nan 8.360 nan 0.000 0.425 286 D N 1.593 122.032 120.400 0.065 0.000 2.104 286 D HA -0.167 4.473 4.640 0.001 0.000 0.194 286 D C 1.929 178.267 176.300 0.064 0.000 0.994 286 D CA 1.913 55.947 54.000 0.057 0.000 0.830 286 D CB -0.117 40.706 40.800 0.039 0.000 0.959 286 D HN 0.478 nan 8.370 nan 0.000 0.452 287 S N 0.182 115.913 115.700 0.053 0.000 2.383 287 S HA -0.220 4.250 4.470 0.001 0.000 0.229 287 S C 1.887 176.484 174.600 -0.006 0.000 1.030 287 S CA 1.008 59.214 58.200 0.010 0.000 1.002 287 S CB -0.662 62.522 63.200 -0.027 0.000 0.829 287 S HN 0.363 nan 8.310 nan 0.000 0.467 288 H N 1.533 120.612 119.070 0.016 0.000 2.326 288 H HA 0.113 4.669 4.556 0.001 0.000 0.301 288 H C 2.195 177.542 175.328 0.031 0.000 1.081 288 H CA 1.730 57.789 56.048 0.020 0.000 1.334 288 H CB -0.250 29.515 29.762 0.006 0.000 1.385 288 H HN 0.391 nan 8.280 nan 0.000 0.504 289 L N 0.676 121.992 121.223 0.156 0.000 2.093 289 L HA -0.129 4.211 4.340 0.001 0.000 0.208 289 L C 2.445 179.376 176.870 0.103 0.000 1.085 289 L CA 0.883 55.790 54.840 0.111 0.000 0.755 289 L CB -0.281 41.825 42.059 0.080 0.000 0.904 289 L HN 0.249 nan 8.230 nan 0.000 0.435 290 E N 0.043 120.290 120.200 0.078 0.000 2.110 290 E HA -0.214 4.137 4.350 0.001 0.000 0.193 290 E C 2.076 178.713 176.600 0.062 0.000 0.988 290 E CA 0.931 57.368 56.400 0.062 0.000 0.804 290 E CB -0.089 29.635 29.700 0.039 0.000 0.745 290 E HN 0.538 nan 8.360 nan 0.000 0.458 291 Q N 0.082 119.915 119.800 0.056 0.000 2.389 291 Q HA 0.057 4.397 4.340 0.001 0.000 0.204 291 Q C 2.240 178.289 176.000 0.082 0.000 0.944 291 Q CA 0.358 56.191 55.803 0.050 0.000 0.908 291 Q CB 0.134 28.882 28.738 0.017 0.000 1.002 291 Q HN 0.414 nan 8.270 nan 0.000 0.493 292 I N -0.436 120.204 120.570 0.117 0.000 2.277 292 I HA -0.186 3.984 4.170 0.001 0.000 0.243 292 I C 2.153 178.368 176.117 0.163 0.000 1.094 292 I CA 0.617 62.012 61.300 0.157 0.000 1.393 292 I CB -0.314 37.808 38.000 0.203 0.000 1.078 292 I HN -0.082 nan 8.210 nan 0.000 0.417 293 V N 1.192 121.199 119.914 0.155 0.000 2.392 293 V HA -0.293 3.827 4.120 0.001 0.000 0.249 293 V C 2.657 178.810 176.094 0.098 0.000 1.059 293 V CA 1.875 64.256 62.300 0.136 0.000 1.051 293 V CB -0.878 31.012 31.823 0.112 0.000 0.658 293 V HN 0.428 nan 8.190 nan 0.000 0.455 294 R N -0.191 120.356 120.500 0.078 0.000 2.075 294 R HA -0.109 4.232 4.340 0.001 0.000 0.232 294 R C 2.291 178.625 176.300 0.056 0.000 1.126 294 R CA 1.543 57.676 56.100 0.056 0.000 0.963 294 R CB -0.261 30.063 30.300 0.040 0.000 0.858 294 R HN 0.453 nan 8.270 nan 0.000 0.435 295 L N 0.519 121.779 121.223 0.063 0.000 2.093 295 L HA -0.165 4.176 4.340 0.001 0.000 0.208 295 L C 2.422 179.328 176.870 0.060 0.000 1.085 295 L CA 1.021 55.888 54.840 0.045 0.000 0.755 295 L CB -0.278 41.805 42.059 0.041 0.000 0.904 295 L HN 0.239 nan 8.230 nan 0.000 0.435 296 I N -0.352 120.280 120.570 0.103 0.000 2.179 296 I HA -0.314 3.857 4.170 0.001 0.000 0.242 296 I C 2.764 179.016 176.117 0.224 0.000 1.088 296 I CA 1.707 63.098 61.300 0.152 0.000 1.357 296 I CB -0.368 37.742 38.000 0.183 0.000 1.051 296 I HN 0.352 nan 8.210 nan 0.000 0.409 297 S N 0.091 115.875 115.700 0.140 0.000 2.423 297 S HA -0.165 4.305 4.470 0.001 0.000 0.231 297 S C 1.686 176.331 174.600 0.077 0.000 1.014 297 S CA 1.063 59.318 58.200 0.093 0.000 0.965 297 S CB -0.387 62.837 63.200 0.040 0.000 0.785 297 S HN 0.511 nan 8.310 nan 0.000 0.495 298 E N 1.552 121.792 120.200 0.066 0.000 2.442 298 E HA 0.099 4.450 4.350 0.001 0.000 0.195 298 E C 0.725 177.344 176.600 0.031 0.000 1.030 298 E CA 0.312 56.732 56.400 0.034 0.000 0.869 298 E CB 0.357 30.064 29.700 0.011 0.000 0.857 298 E HN 0.701 nan 8.360 nan 0.000 0.505 299 S N -0.097 115.640 115.700 0.062 0.000 2.632 299 S HA 0.268 4.738 4.470 0.001 0.000 0.271 299 S C 0.575 175.238 174.600 0.104 0.000 1.260 299 S CA -0.616 57.585 58.200 0.002 0.000 1.010 299 S CB 1.870 65.011 63.200 -0.098 0.000 0.965 299 S HN -0.042 nan 8.310 nan 0.000 0.534 300 K N 0.156 120.529 120.400 -0.045 0.000 2.464 300 K HA 0.253 4.573 4.320 0.001 0.000 0.206 300 K C -0.167 176.283 176.600 -0.250 0.000 1.186 300 K CA 0.107 56.404 56.287 0.017 0.000 0.990 300 K CB 0.444 32.936 32.500 -0.014 0.000 1.003 300 K HN 0.545 nan 8.250 nan 0.000 0.562 301 K N 1.794 121.793 120.400 -0.670 0.000 3.084 301 K HA 0.214 4.534 4.320 0.001 0.000 0.172 301 K C -2.848 173.038 176.600 -1.189 0.000 1.078 301 K CA -1.452 53.849 56.287 -1.643 0.000 0.875 301 K CB 1.485 32.866 32.500 -1.865 0.000 1.064 301 K HN -0.044 nan 8.250 nan 0.000 0.597 302 P HA 0.227 nan 4.420 nan 0.000 0.281 302 P C -0.430 176.786 177.300 -0.139 0.000 1.249 302 P CA -0.455 62.366 63.100 -0.465 0.000 0.810 302 P CB 1.705 33.033 31.700 -0.620 0.000 1.008 303 V N 3.187 123.044 119.914 -0.097 0.000 2.686 303 V HA 0.269 4.389 4.120 0.001 0.000 0.306 303 V C 0.179 176.221 176.094 -0.086 0.000 1.065 303 V CA -0.734 61.561 62.300 -0.007 0.000 0.894 303 V CB 2.021 33.867 31.823 0.039 0.000 1.004 303 V HN 0.395 nan 8.190 nan 0.000 0.424 304 L N 4.766 125.933 121.223 -0.093 0.000 2.313 304 L HA 0.375 4.716 4.340 0.001 0.000 0.282 304 L C -0.912 175.919 176.870 -0.066 0.000 1.092 304 L CA -0.323 54.413 54.840 -0.173 0.000 0.831 304 L CB 0.502 42.459 42.059 -0.171 0.000 1.159 304 L HN 0.706 nan 8.230 nan 0.000 0.442 305 Y N 5.380 125.522 120.300 -0.263 0.000 2.587 305 Y HA 0.542 5.093 4.550 0.001 0.000 0.328 305 Y C -1.018 174.780 175.900 -0.170 0.000 0.980 305 Y CA -1.121 56.865 58.100 -0.189 0.000 1.272 305 Y CB 0.893 39.236 38.460 -0.195 0.000 1.094 305 Y HN 0.194 nan 8.280 nan 0.000 0.503 306 V N 5.918 125.797 119.914 -0.058 0.000 2.555 306 V HA 0.899 5.020 4.120 0.001 0.000 0.302 306 V C 0.264 176.310 176.094 -0.080 0.000 1.038 306 V CA -0.016 62.228 62.300 -0.093 0.000 0.887 306 V CB 1.493 33.317 31.823 0.000 0.000 0.991 306 V HN 0.932 nan 8.190 nan 0.000 0.434 307 G N 2.216 110.959 108.800 -0.095 0.000 3.135 307 G HA2 0.522 4.483 3.960 0.001 0.000 0.278 307 G HA3 0.522 4.483 3.960 0.001 0.000 0.278 307 G C 0.910 175.807 174.900 -0.006 0.000 1.302 307 G CA 0.115 45.180 45.100 -0.059 0.000 0.880 307 G HN 0.895 nan 8.290 nan 0.000 0.574 308 G N -0.383 108.419 108.800 0.004 0.000 2.499 308 G HA2 0.081 4.041 3.960 0.001 0.000 0.221 308 G HA3 0.081 4.041 3.960 0.001 0.000 0.221 308 G C 1.619 176.528 174.900 0.014 0.000 1.109 308 G CA 1.670 46.782 45.100 0.020 0.000 0.749 308 G HN 1.110 nan 8.290 nan 0.000 0.568 309 G N -0.365 108.437 108.800 0.003 0.000 2.509 309 G HA2 -0.128 3.832 3.960 0.001 0.000 0.218 309 G HA3 -0.128 3.832 3.960 0.001 0.000 0.218 309 G C 1.326 176.230 174.900 0.006 0.000 1.124 309 G CA 1.049 46.151 45.100 0.002 0.000 0.776 309 G HN 0.454 nan 8.290 nan 0.000 0.547 310 C N 0.673 119.987 119.300 0.022 0.000 2.673 310 C HA 0.355 4.815 4.460 0.001 0.000 0.274 310 C C 2.449 177.466 174.990 0.045 0.000 1.276 310 C CA -0.553 58.487 59.018 0.036 0.000 1.701 310 C CB -1.192 26.586 27.740 0.064 0.000 1.836 310 C HN 0.424 nan 8.230 nan 0.000 0.596 311 L N 1.004 122.251 121.223 0.039 0.000 2.265 311 L HA -0.133 4.207 4.340 0.001 0.000 0.215 311 L C 1.401 178.297 176.870 0.044 0.000 1.117 311 L CA 1.496 56.364 54.840 0.047 0.000 0.782 311 L CB -0.422 41.661 42.059 0.040 0.000 0.914 311 L HN 0.553 nan 8.230 nan 0.000 0.441 312 N N -1.744 116.975 118.700 0.033 0.000 2.275 312 N HA 0.079 4.820 4.740 0.001 0.000 0.236 312 N C 0.342 175.871 175.510 0.032 0.000 1.154 312 N CA -0.193 52.876 53.050 0.031 0.000 0.866 312 N CB 0.730 39.229 38.487 0.021 0.000 1.093 312 N HN -0.003 nan 8.380 nan 0.000 0.515 313 S N -0.728 114.996 115.700 0.041 0.000 2.855 313 S HA 0.016 4.486 4.470 0.001 0.000 0.249 313 S C 1.622 176.267 174.600 0.074 0.000 1.033 313 S CA -0.484 57.741 58.200 0.042 0.000 1.038 313 S CB 0.399 63.609 63.200 0.017 0.000 0.960 313 S HN 0.369 nan 8.310 nan 0.000 0.548 314 S N 2.361 118.111 115.700 0.083 0.000 2.370 314 S HA -0.200 4.271 4.470 0.001 0.000 0.226 314 S C 1.322 175.993 174.600 0.118 0.000 1.033 314 S CA 1.416 59.681 58.200 0.110 0.000 1.011 314 S CB -0.368 62.888 63.200 0.094 0.000 0.852 314 S HN 0.337 nan 8.310 nan 0.000 0.457 315 D N 1.658 122.114 120.400 0.093 0.000 2.084 315 D HA -0.053 4.587 4.640 0.001 0.000 0.194 315 D C 2.110 178.479 176.300 0.115 0.000 0.990 315 D CA 1.620 55.676 54.000 0.093 0.000 0.826 315 D CB -0.592 40.250 40.800 0.070 0.000 0.971 315 D HN 0.518 nan 8.370 nan 0.000 0.453 316 E N 0.317 120.578 120.200 0.102 0.000 2.085 316 E HA -0.143 4.207 4.350 0.001 0.000 0.194 316 E C 1.967 178.670 176.600 0.171 0.000 0.994 316 E CA 0.337 56.804 56.400 0.112 0.000 0.801 316 E CB -0.292 29.445 29.700 0.061 0.000 0.743 316 E HN 0.128 nan 8.360 nan 0.000 0.453 317 L N 0.127 121.452 121.223 0.169 0.000 2.093 317 L HA 0.016 4.356 4.340 0.001 0.000 0.208 317 L C 2.065 179.127 176.870 0.320 0.000 1.085 317 L CA 2.110 57.089 54.840 0.233 0.000 0.755 317 L CB -0.920 41.262 42.059 0.205 0.000 0.904 317 L HN 0.183 nan 8.230 nan 0.000 0.435 318 G N -0.839 108.137 108.800 0.293 0.000 2.446 318 G HA2 -0.370 3.590 3.960 0.001 0.000 0.217 318 G HA3 -0.370 3.590 3.960 0.001 0.000 0.217 318 G C 1.763 176.819 174.900 0.260 0.000 1.168 318 G CA 0.912 46.199 45.100 0.312 0.000 0.771 318 G HN 0.355 nan 8.290 nan 0.000 0.551 319 R N -0.222 120.404 120.500 0.211 0.000 2.081 319 R HA -0.012 4.328 4.340 0.001 0.000 0.235 319 R C 2.177 178.595 176.300 0.197 0.000 1.131 319 R CA 1.290 57.494 56.100 0.174 0.000 0.960 319 R CB -0.864 29.524 30.300 0.146 0.000 0.856 319 R HN 0.350 nan 8.270 nan 0.000 0.436 320 F N -0.240 119.776 119.950 0.110 0.000 2.134 320 F HA -0.172 4.355 4.527 0.001 0.000 0.299 320 F C 1.828 177.688 175.800 0.100 0.000 1.097 320 F CA 1.609 59.675 58.000 0.111 0.000 1.264 320 F CB -0.237 38.846 39.000 0.138 0.000 1.001 320 F HN -0.137 nan 8.300 nan 0.000 0.479 321 V N 0.168 120.221 119.914 0.231 0.000 2.358 321 V HA -0.277 3.843 4.120 0.001 0.000 0.246 321 V C 2.328 178.456 176.094 0.057 0.000 1.047 321 V CA 2.163 64.514 62.300 0.085 0.000 1.035 321 V CB -0.725 31.101 31.823 0.005 0.000 0.658 321 V HN 0.385 nan 8.190 nan 0.000 0.452 322 E N -0.167 120.097 120.200 0.106 0.000 2.204 322 E HA -0.175 4.175 4.350 0.001 0.000 0.195 322 E C 1.957 178.571 176.600 0.023 0.000 0.990 322 E CA 1.003 57.452 56.400 0.081 0.000 0.821 322 E CB 0.013 29.771 29.700 0.097 0.000 0.750 322 E HN 0.560 nan 8.360 nan 0.000 0.477 323 L N -0.457 120.750 121.223 -0.026 0.000 2.585 323 L HA 0.053 4.393 4.340 0.001 0.000 0.226 323 L C 1.974 178.774 176.870 -0.117 0.000 1.113 323 L CA 0.917 55.716 54.840 -0.070 0.000 0.876 323 L CB 0.420 42.430 42.059 -0.080 0.000 1.072 323 L HN 0.196 nan 8.230 nan 0.000 0.468 324 T N -6.349 108.126 114.554 -0.132 0.000 2.980 324 T HA 0.199 4.549 4.350 0.001 0.000 0.252 324 T C 1.438 176.222 174.700 0.139 0.000 0.962 324 T CA 0.531 62.596 62.100 -0.058 0.000 0.932 324 T CB 0.692 69.411 68.868 -0.249 0.000 1.188 324 T HN 0.158 nan 8.240 nan 0.000 0.500 325 G N 2.116 110.967 108.800 0.085 0.000 2.198 325 G HA2 -0.218 3.743 3.960 0.001 0.000 0.260 325 G HA3 -0.218 3.743 3.960 0.001 0.000 0.260 325 G C -0.019 174.994 174.900 0.188 0.000 1.025 325 G CA 0.298 45.484 45.100 0.144 0.000 0.769 325 G HN 0.725 nan 8.290 nan 0.000 0.507 326 I N 2.306 122.929 120.570 0.087 0.000 2.416 326 I HA 0.259 4.430 4.170 0.001 0.000 0.288 326 I C -1.261 174.830 176.117 -0.043 0.000 1.051 326 I CA -2.226 59.070 61.300 -0.007 0.000 1.375 326 I CB 1.096 39.064 38.000 -0.053 0.000 1.407 326 I HN -0.039 nan 8.210 nan 0.000 0.516 327 P HA 0.111 nan 4.420 nan 0.000 0.272 327 P C -0.853 176.388 177.300 -0.098 0.000 1.223 327 P CA -0.155 62.902 63.100 -0.072 0.000 0.784 327 P CB 1.102 32.767 31.700 -0.059 0.000 0.923 328 V N 1.685 121.514 119.914 -0.141 0.000 2.378 328 V HA 0.557 4.678 4.120 0.001 0.000 0.288 328 V C 0.433 176.509 176.094 -0.030 0.000 1.016 328 V CA -0.786 61.434 62.300 -0.132 0.000 0.840 328 V CB 0.979 32.629 31.823 -0.289 0.000 0.994 328 V HN 0.742 nan 8.190 nan 0.000 0.431 329 A N 3.858 126.681 122.820 0.004 0.000 2.312 329 A HA 0.900 5.220 4.320 0.001 0.000 0.328 329 A C 0.135 177.771 177.584 0.087 0.000 1.158 329 A CA -0.394 51.668 52.037 0.042 0.000 0.821 329 A CB 1.011 20.026 19.000 0.026 0.000 1.170 329 A HN 0.733 nan 8.150 nan 0.000 0.490 330 T N 1.183 115.791 114.554 0.090 0.000 2.893 330 T HA 0.609 4.959 4.350 0.001 0.000 0.291 330 T C 0.429 175.189 174.700 0.101 0.000 1.028 330 T CA -0.133 62.025 62.100 0.097 0.000 0.995 330 T CB 1.482 70.397 68.868 0.079 0.000 1.051 330 T HN 0.961 nan 8.240 nan 0.000 0.470 331 T N 0.017 114.636 114.554 0.109 0.000 2.788 331 T HA 0.336 4.686 4.350 0.001 0.000 0.287 331 T C 1.468 176.208 174.700 0.067 0.000 1.007 331 T CA -0.800 61.359 62.100 0.098 0.000 1.005 331 T CB 0.437 69.359 68.868 0.090 0.000 1.012 331 T HN 0.483 nan 8.240 nan 0.000 0.530 332 L N 0.311 121.584 121.223 0.083 0.000 2.127 332 L HA -0.074 4.267 4.340 0.001 0.000 0.211 332 L C 2.363 179.388 176.870 0.258 0.000 1.089 332 L CA 1.455 56.379 54.840 0.139 0.000 0.757 332 L CB -0.367 41.802 42.059 0.182 0.000 0.899 332 L HN 0.615 nan 8.230 nan 0.000 0.434 333 M N -1.168 118.531 119.600 0.165 0.000 2.419 333 M HA 0.040 4.520 4.480 0.001 0.000 0.264 333 M C 2.014 178.398 176.300 0.140 0.000 1.082 333 M CA 1.167 56.557 55.300 0.151 0.000 1.119 333 M CB -1.440 31.194 32.600 0.057 0.000 1.398 333 M HN 0.361 nan 8.290 nan 0.000 0.453 334 G N -0.110 108.747 108.800 0.094 0.000 2.939 334 G HA2 0.209 4.169 3.960 0.001 0.000 0.210 334 G HA3 0.209 4.169 3.960 0.001 0.000 0.210 334 G C 0.701 175.640 174.900 0.064 0.000 1.160 334 G CA -0.374 44.769 45.100 0.072 0.000 0.770 334 G HN 0.300 nan 8.290 nan 0.000 0.543 335 L N 0.839 122.062 121.223 -0.000 0.000 2.640 335 L HA 0.217 4.557 4.340 0.001 0.000 0.280 335 L C 1.653 178.525 176.870 0.004 0.000 1.229 335 L CA 1.228 56.008 54.840 -0.101 0.000 0.919 335 L CB 0.148 41.877 42.059 -0.551 0.000 1.168 335 L HN 0.355 nan 8.230 nan 0.000 0.496 336 G N 1.638 110.502 108.800 0.107 0.000 2.213 336 G HA2 -0.310 3.651 3.960 0.001 0.000 0.236 336 G HA3 -0.310 3.651 3.960 0.001 0.000 0.236 336 G C 1.021 176.003 174.900 0.136 0.000 0.991 336 G CA 0.396 45.594 45.100 0.163 0.000 0.629 336 G HN 0.603 nan 8.290 nan 0.000 0.517 337 S N -0.877 114.903 115.700 0.133 0.000 2.359 337 S HA 0.005 4.475 4.470 0.001 0.000 0.224 337 S C 0.861 175.583 174.600 0.202 0.000 1.035 337 S CA 1.446 59.733 58.200 0.145 0.000 1.018 337 S CB -0.073 63.207 63.200 0.134 0.000 0.876 337 S HN 0.712 nan 8.310 nan 0.000 0.448 338 Y N 2.757 123.103 120.300 0.077 0.000 2.331 338 Y HA 0.435 4.986 4.550 0.001 0.000 0.338 338 Y C -2.565 173.381 175.900 0.076 0.000 0.992 338 Y CA -3.223 54.922 58.100 0.075 0.000 1.121 338 Y CB 0.570 39.069 38.460 0.066 0.000 1.184 338 Y HN 0.029 nan 8.280 nan 0.000 0.469 342 D N 1.679 122.059 120.400 -0.032 0.000 2.341 342 D HA 0.028 4.669 4.640 0.001 0.000 0.245 342 D C 1.322 177.647 176.300 0.042 0.000 1.106 342 D CA 0.150 54.137 54.000 -0.021 0.000 0.905 342 D CB 1.581 42.304 40.800 -0.128 0.000 1.202 342 D HN 0.315 nan 8.370 nan 0.000 0.426 343 E N 2.170 122.398 120.200 0.048 0.000 2.268 343 E HA -0.148 4.202 4.350 0.001 0.000 0.195 343 E C 1.756 178.377 176.600 0.034 0.000 0.995 343 E CA 0.692 57.108 56.400 0.028 0.000 0.836 343 E CB -0.114 29.596 29.700 0.017 0.000 0.763 343 E HN 0.428 nan 8.360 nan 0.000 0.491 344 L N 1.224 122.518 121.223 0.118 0.000 2.554 344 L HA 0.080 4.421 4.340 0.001 0.000 0.226 344 L C 1.050 177.958 176.870 0.063 0.000 1.137 344 L CA -0.093 54.803 54.840 0.094 0.000 0.863 344 L CB 0.360 42.496 42.059 0.129 0.000 0.985 344 L HN 0.013 nan 8.230 nan 0.000 0.451 345 S N -0.234 115.525 115.700 0.098 0.000 2.499 345 S HA 0.256 4.727 4.470 0.001 0.000 0.275 345 S C 0.874 175.351 174.600 -0.206 0.000 1.257 345 S CA -0.514 57.678 58.200 -0.014 0.000 1.050 345 S CB 0.707 63.880 63.200 -0.043 0.000 0.937 345 S HN 0.214 nan 8.310 nan 0.000 0.490 346 L N 4.494 125.664 121.223 -0.087 0.000 2.592 346 L HA 0.285 4.626 4.340 0.001 0.000 0.227 346 L C 0.647 177.586 176.870 0.114 0.000 1.127 346 L CA -0.072 54.828 54.840 0.101 0.000 0.884 346 L CB -0.805 41.315 42.059 0.102 0.000 1.065 346 L HN 0.900 nan 8.230 nan 0.000 0.457 347 H N -2.283 116.880 119.070 0.156 0.000 1.452 347 H HA -0.291 4.265 4.556 0.001 0.000 0.090 347 H C 0.273 175.605 175.328 0.006 0.000 2.770 347 H CA 0.980 57.071 56.048 0.072 0.000 1.901 347 H CB -0.813 28.982 29.762 0.054 0.000 2.257 347 H HN 0.101 nan 8.280 nan 0.000 0.961 348 M N 2.265 121.933 119.600 0.113 0.000 2.211 348 M HA 0.385 4.865 4.480 0.001 0.000 0.356 348 M C -0.107 176.191 176.300 -0.004 0.000 1.216 348 M CA -0.432 54.888 55.300 0.033 0.000 1.134 348 M CB 0.312 32.913 32.600 0.002 0.000 1.564 348 M HN 0.437 nan 8.290 nan 0.000 0.463 349 L N 3.192 124.419 121.223 0.007 0.000 2.397 349 L HA 1.089 5.429 4.340 0.001 0.000 0.266 349 L C 0.071 176.942 176.870 0.003 0.000 1.040 349 L CA -0.153 54.679 54.840 -0.014 0.000 0.800 349 L CB 1.257 43.294 42.059 -0.037 0.000 1.324 349 L HN 0.828 nan 8.230 nan 0.000 0.469 350 G N -0.036 108.764 108.800 0.001 0.000 2.466 350 G HA2 -0.148 3.812 3.960 0.001 0.000 0.316 350 G HA3 -0.148 3.812 3.960 0.001 0.000 0.316 350 G C 0.104 174.999 174.900 -0.008 0.000 1.270 350 G CA -0.150 44.948 45.100 -0.004 0.000 0.982 350 G HN 0.631 nan 8.290 nan 0.000 0.506 351 M N 0.092 119.662 119.600 -0.050 0.000 2.144 351 M HA -0.026 4.455 4.480 0.001 0.000 0.260 351 M C 1.641 177.791 176.300 -0.250 0.000 1.067 351 M CA 1.794 57.001 55.300 -0.155 0.000 1.095 351 M CB -1.165 31.309 32.600 -0.210 0.000 1.365 351 M HN 0.588 nan 8.290 nan 0.000 0.406 352 H N -0.997 118.100 119.070 0.045 0.000 2.486 352 H HA 0.439 4.995 4.556 0.001 0.000 0.284 352 H C 0.903 176.240 175.328 0.016 0.000 1.103 352 H CA -0.029 56.042 56.048 0.040 0.000 1.089 352 H CB -0.311 29.471 29.762 0.033 0.000 1.603 352 H HN 0.242 nan 8.280 nan 0.000 0.557 353 G N 0.961 109.807 108.800 0.076 0.000 2.651 353 G HA2 0.162 4.122 3.960 0.001 0.000 0.260 353 G HA3 0.162 4.122 3.960 0.001 0.000 0.260 353 G C 0.322 175.200 174.900 -0.036 0.000 1.216 353 G CA -0.272 44.835 45.100 0.010 0.000 0.913 353 G HN 0.266 nan 8.290 nan 0.000 0.535 354 T N -2.023 112.430 114.554 -0.168 0.000 2.907 354 T HA 0.193 4.543 4.350 0.001 0.000 0.298 354 T C 1.533 176.076 174.700 -0.262 0.000 1.017 354 T CA -0.355 61.532 62.100 -0.356 0.000 1.118 354 T CB 1.475 69.745 68.868 -0.997 0.000 0.948 354 T HN 0.217 nan 8.240 nan 0.000 0.531 355 V N 2.997 122.851 119.914 -0.099 0.000 2.324 355 V HA -0.239 3.881 4.120 0.001 0.000 0.250 355 V C 2.198 178.384 176.094 0.152 0.000 1.060 355 V CA 2.348 64.699 62.300 0.085 0.000 1.042 355 V CB -1.413 30.424 31.823 0.023 0.000 0.650 355 V HN 1.060 nan 8.190 nan 0.000 0.450 356 Y N 0.594 120.976 120.300 0.137 0.000 2.242 356 Y HA 0.112 4.662 4.550 0.001 0.000 0.291 356 Y C 2.443 178.384 175.900 0.068 0.000 1.137 356 Y CA 0.957 59.104 58.100 0.079 0.000 1.181 356 Y CB -1.322 37.156 38.460 0.029 0.000 0.989 356 Y HN 0.068 nan 8.280 nan 0.000 0.527 357 A N 1.653 124.401 122.820 -0.121 0.000 1.877 357 A HA -0.220 4.100 4.320 0.001 0.000 0.216 357 A C 2.054 179.608 177.584 -0.049 0.000 1.186 357 A CA 1.982 53.988 52.037 -0.052 0.000 0.620 357 A CB -0.845 18.090 19.000 -0.109 0.000 0.822 357 A HN 0.567 nan 8.150 nan 0.000 0.443 358 N N -1.524 117.148 118.700 -0.048 0.000 2.188 358 N HA -0.159 4.581 4.740 0.001 0.000 0.184 358 N C 1.608 176.861 175.510 -0.428 0.000 1.018 358 N CA 1.611 54.599 53.050 -0.104 0.000 0.858 358 N CB -0.623 37.936 38.487 0.120 0.000 0.989 358 N HN 0.694 nan 8.380 nan 0.000 0.426 359 Y N 1.901 121.881 120.300 -0.533 0.000 2.097 359 Y HA -0.236 4.314 4.550 0.001 0.000 0.282 359 Y C 2.394 178.148 175.900 -0.244 0.000 1.152 359 Y CA 2.065 59.775 58.100 -0.649 0.000 1.136 359 Y CB -0.438 37.928 38.460 -0.157 0.000 0.975 359 Y HN 0.081 nan 8.280 nan 0.000 0.498 360 A N -0.390 122.502 122.820 0.120 0.000 1.884 360 A HA -0.251 4.070 4.320 0.001 0.000 0.219 360 A C 2.324 179.963 177.584 0.092 0.000 1.197 360 A CA 2.546 54.703 52.037 0.201 0.000 0.637 360 A CB -1.466 17.604 19.000 0.116 0.000 0.827 360 A HN 0.383 nan 8.150 nan 0.000 0.450 361 V N -0.206 119.621 119.914 -0.145 0.000 2.307 361 V HA -0.229 3.891 4.120 0.001 0.000 0.245 361 V C 2.575 178.394 176.094 -0.457 0.000 1.045 361 V CA 2.394 64.504 62.300 -0.317 0.000 1.024 361 V CB -0.764 30.810 31.823 -0.415 0.000 0.651 361 V HN 0.741 nan 8.190 nan 0.000 0.449 362 E N -0.010 119.850 120.200 -0.566 0.000 2.130 362 E HA -0.237 4.113 4.350 0.001 0.000 0.196 362 E C 1.905 178.063 176.600 -0.736 0.000 0.998 362 E CA 1.695 57.660 56.400 -0.725 0.000 0.806 362 E CB -0.156 28.915 29.700 -1.050 0.000 0.738 362 E HN 0.726 nan 8.360 nan 0.000 0.459 363 H N -0.686 118.145 119.070 -0.399 0.000 2.594 363 H HA 0.244 4.800 4.556 0.001 0.000 0.279 363 H C 0.173 175.308 175.328 -0.321 0.000 1.042 363 H CA 0.559 56.420 56.048 -0.311 0.000 1.177 363 H CB 0.065 29.625 29.762 -0.337 0.000 1.524 363 H HN 0.115 nan 8.280 nan 0.000 0.537 364 S N 1.448 117.005 115.700 -0.240 0.000 2.579 364 S HA -0.002 4.468 4.470 0.001 0.000 0.275 364 S C 0.967 175.346 174.600 -0.369 0.000 1.345 364 S CA -0.157 57.811 58.200 -0.386 0.000 1.031 364 S CB 1.291 64.341 63.200 -0.249 0.000 0.892 364 S HN 0.370 nan 8.310 nan 0.000 0.529 365 D N -0.148 120.001 120.400 -0.418 0.000 2.441 365 D HA 0.212 4.852 4.640 0.001 0.000 0.210 365 D C -0.099 176.044 176.300 -0.261 0.000 1.102 365 D CA -0.188 53.630 54.000 -0.304 0.000 0.840 365 D CB -0.148 40.481 40.800 -0.286 0.000 0.990 365 D HN 0.390 nan 8.370 nan 0.000 0.505 366 L N 0.707 121.769 121.223 -0.268 0.000 2.541 366 L HA 0.429 4.770 4.340 0.001 0.000 0.266 366 L C -2.074 174.699 176.870 -0.161 0.000 0.966 366 L CA -0.872 53.851 54.840 -0.195 0.000 0.871 366 L CB 1.948 43.900 42.059 -0.178 0.000 1.232 366 L HN -0.051 nan 8.230 nan 0.000 0.408 367 L N 5.719 126.884 121.223 -0.097 0.000 2.265 367 L HA 0.544 4.884 4.340 0.001 0.000 0.289 367 L C -1.030 175.832 176.870 -0.013 0.000 1.033 367 L CA -0.027 54.781 54.840 -0.053 0.000 0.814 367 L CB 1.134 43.187 42.059 -0.009 0.000 1.203 367 L HN 0.584 nan 8.230 nan 0.000 0.423 368 L N 6.335 127.479 121.223 -0.132 0.000 2.353 368 L HA 0.485 4.825 4.340 0.001 0.000 0.269 368 L C 0.337 176.907 176.870 -0.499 0.000 1.085 368 L CA -0.439 54.183 54.840 -0.364 0.000 0.938 368 L CB 0.738 42.417 42.059 -0.633 0.000 1.312 368 L HN 0.762 nan 8.230 nan 0.000 0.429 369 A N 3.933 126.696 122.820 -0.096 0.000 2.527 369 A HA 0.559 4.880 4.320 0.001 0.000 0.313 369 A C -0.677 177.013 177.584 0.176 0.000 1.410 369 A CA -0.159 51.814 52.037 -0.108 0.000 1.060 369 A CB -0.357 18.643 19.000 0.001 0.000 1.137 369 A HN 0.396 nan 8.150 nan 0.000 0.542 370 F N 1.434 121.291 119.950 -0.156 0.000 2.375 370 F HA 0.536 5.064 4.527 0.001 0.000 0.361 370 F C 1.215 176.932 175.800 -0.138 0.000 1.117 370 F CA -0.734 57.202 58.000 -0.107 0.000 1.037 370 F CB 1.061 39.977 39.000 -0.138 0.000 1.192 370 F HN 0.856 nan 8.300 nan 0.000 0.452 371 G N 2.190 111.055 108.800 0.109 0.000 2.272 371 G HA2 -0.031 3.929 3.960 0.001 0.000 0.280 371 G HA3 -0.031 3.929 3.960 0.001 0.000 0.280 371 G C -0.470 174.402 174.900 -0.047 0.000 1.067 371 G CA 0.231 45.347 45.100 0.026 0.000 0.902 371 G HN 0.978 nan 8.290 nan 0.000 0.500 372 V N -3.656 116.202 119.914 -0.092 0.000 3.074 372 V HA 0.953 5.073 4.120 0.001 0.000 0.314 372 V C 0.651 176.731 176.094 -0.023 0.000 1.117 372 V CA -0.631 61.511 62.300 -0.264 0.000 1.014 372 V CB 1.932 33.171 31.823 -0.973 0.000 1.057 372 V HN 0.682 nan 8.190 nan 0.000 0.438 373 R N 0.382 120.877 120.500 -0.009 0.000 2.629 373 R HA 0.425 4.765 4.340 0.001 0.000 0.408 373 R C -0.645 175.805 176.300 0.250 0.000 1.057 373 R CA -0.391 55.812 56.100 0.172 0.000 1.119 373 R CB -0.293 30.074 30.300 0.112 0.000 1.403 373 R HN 0.624 nan 8.270 nan 0.000 0.576 374 F N 2.928 122.881 119.950 0.005 0.000 2.907 374 F HA -0.285 4.243 4.527 0.000 0.000 0.244 374 F C 0.392 176.136 175.800 -0.094 0.000 1.007 374 F CA 1.454 59.436 58.000 -0.030 0.000 0.872 374 F CB -1.273 37.679 39.000 -0.079 0.000 0.767 374 F HN 0.488 nan 8.300 nan 0.000 0.837 375 D N 1.006 121.428 120.400 0.037 0.000 2.329 375 D HA 0.107 4.747 4.640 0.001 0.000 0.246 375 D C 1.137 177.400 176.300 -0.061 0.000 1.111 375 D CA 0.234 54.233 54.000 -0.001 0.000 0.941 375 D CB 1.066 41.867 40.800 0.002 0.000 1.169 375 D HN 0.406 nan 8.370 nan 0.000 0.441 376 D N 1.253 121.623 120.400 -0.050 0.000 2.182 376 D HA -0.235 4.405 4.640 0.001 0.000 0.201 376 D C 1.617 177.877 176.300 -0.067 0.000 0.986 376 D CA 0.745 54.707 54.000 -0.064 0.000 0.847 376 D CB 0.004 40.782 40.800 -0.037 0.000 0.942 376 D HN 0.124 nan 8.370 nan 0.000 0.467 377 R N 0.005 120.476 120.500 -0.048 0.000 2.120 377 R HA -0.026 4.315 4.340 0.001 0.000 0.234 377 R C 2.305 178.571 176.300 -0.057 0.000 1.123 377 R CA 1.050 57.130 56.100 -0.034 0.000 0.975 377 R CB -0.715 29.579 30.300 -0.009 0.000 0.866 377 R HN 0.454 nan 8.270 nan 0.000 0.446 378 V N -0.910 118.942 119.914 -0.103 0.000 2.949 378 V HA 0.008 4.129 4.120 0.001 0.000 0.245 378 V C 1.726 177.652 176.094 -0.280 0.000 1.086 378 V CA 1.652 63.862 62.300 -0.149 0.000 1.097 378 V CB 0.055 31.798 31.823 -0.133 0.000 0.762 378 V HN 0.458 nan 8.190 nan 0.000 0.470 379 T N -2.202 112.085 114.554 -0.445 0.000 2.937 379 T HA 0.357 4.707 4.350 0.001 0.000 0.260 379 T C 1.709 176.311 174.700 -0.163 0.000 1.051 379 T CA 1.441 63.120 62.100 -0.701 0.000 1.141 379 T CB -0.456 67.934 68.868 -0.798 0.000 0.879 379 T HN 1.678 nan 8.240 nan 0.000 0.459 380 G N 2.069 110.811 108.800 -0.097 0.000 2.550 380 G HA2 -0.308 3.653 3.960 0.001 0.000 0.277 380 G HA3 -0.308 3.653 3.960 0.001 0.000 0.277 380 G C -0.240 174.653 174.900 -0.012 0.000 1.190 380 G CA 0.086 45.173 45.100 -0.020 0.000 0.971 380 G HN 0.749 nan 8.290 nan 0.000 0.559 381 K N 1.006 121.420 120.400 0.023 0.000 2.402 381 K HA 0.321 4.641 4.320 0.001 0.000 0.285 381 K C 1.856 178.489 176.600 0.056 0.000 1.054 381 K CA -0.135 56.169 56.287 0.027 0.000 1.001 381 K CB 0.206 32.724 32.500 0.029 0.000 0.946 381 K HN 0.423 nan 8.250 nan 0.000 0.473 382 L N 3.807 125.051 121.223 0.035 0.000 2.042 382 L HA -0.240 4.100 4.340 0.001 0.000 0.210 382 L C 2.222 179.157 176.870 0.108 0.000 1.076 382 L CA 1.767 56.644 54.840 0.062 0.000 0.749 382 L CB -0.309 41.761 42.059 0.017 0.000 0.893 382 L HN 0.746 nan 8.230 nan 0.000 0.432 383 E N 0.094 120.331 120.200 0.062 0.000 2.347 383 E HA -0.133 4.218 4.350 0.001 0.000 0.196 383 E C 1.738 178.369 176.600 0.051 0.000 1.008 383 E CA 0.943 57.372 56.400 0.049 0.000 0.852 383 E CB -0.074 29.640 29.700 0.023 0.000 0.783 383 E HN 0.430 nan 8.360 nan 0.000 0.505 384 A N 0.715 123.577 122.820 0.070 0.000 2.303 384 A HA 0.190 4.510 4.320 0.001 0.000 0.217 384 A C 0.282 177.904 177.584 0.063 0.000 1.205 384 A CA -0.534 51.531 52.037 0.047 0.000 0.875 384 A CB -0.174 18.852 19.000 0.043 0.000 0.910 384 A HN 0.333 nan 8.150 nan 0.000 0.501 385 F N 1.263 121.191 119.950 -0.037 0.000 2.438 385 F HA 0.435 4.962 4.527 0.001 0.000 0.356 385 F C 1.067 176.834 175.800 -0.055 0.000 1.099 385 F CA -0.307 57.662 58.000 -0.052 0.000 1.185 385 F CB 0.573 39.562 39.000 -0.018 0.000 1.115 385 F HN 0.416 nan 8.300 nan 0.000 0.526 386 A N 3.728 126.073 122.820 -0.792 0.000 2.596 386 A HA -0.290 4.031 4.320 0.001 0.000 0.300 386 A C 1.592 179.013 177.584 -0.272 0.000 1.495 386 A CA 1.082 52.747 52.037 -0.619 0.000 0.769 386 A CB -2.343 16.206 19.000 -0.753 0.000 1.047 386 A HN 1.357 nan 8.150 nan 0.000 0.436 387 S N -1.699 113.879 115.700 -0.203 0.000 2.515 387 S HA 0.162 4.632 4.470 0.001 0.000 0.231 387 S C 1.497 176.044 174.600 -0.089 0.000 0.987 387 S CA 1.300 59.441 58.200 -0.098 0.000 0.936 387 S CB -0.250 62.906 63.200 -0.073 0.000 0.766 387 S HN 1.901 nan 8.310 nan 0.000 0.528 388 R N 0.379 120.795 120.500 -0.140 0.000 2.546 388 R HA 0.798 5.139 4.340 0.001 0.000 0.320 388 R C 0.454 176.667 176.300 -0.145 0.000 1.021 388 R CA 0.279 56.305 56.100 -0.123 0.000 1.088 388 R CB -0.676 29.545 30.300 -0.132 0.000 1.278 388 R HN 0.688 nan 8.270 nan 0.000 0.557 389 A N 0.721 123.456 122.820 -0.142 0.000 2.350 389 A HA 0.709 5.030 4.320 0.001 0.000 0.324 389 A C -0.821 176.653 177.584 -0.183 0.000 1.118 389 A CA -0.806 51.127 52.037 -0.173 0.000 0.783 389 A CB 0.984 19.869 19.000 -0.191 0.000 1.236 389 A HN 0.248 nan 8.150 nan 0.000 0.457 390 K N 1.477 121.688 120.400 -0.316 0.000 2.378 390 K HA 0.378 4.698 4.320 0.001 0.000 0.288 390 K C -0.804 175.703 176.600 -0.155 0.000 1.057 390 K CA 0.626 56.590 56.287 -0.540 0.000 0.971 390 K CB 0.072 32.315 32.500 -0.428 0.000 0.975 390 K HN 0.555 nan 8.250 nan 0.000 0.475 391 I N 3.875 124.507 120.570 0.104 0.000 2.321 391 I HA 0.182 4.353 4.170 0.001 0.000 0.291 391 I C -0.584 175.682 176.117 0.248 0.000 0.998 391 I CA -1.021 60.410 61.300 0.219 0.000 1.227 391 I CB 1.367 39.546 38.000 0.298 0.000 1.368 391 I HN 0.139 nan 8.210 nan 0.000 0.466 392 V N 6.314 126.366 119.914 0.231 0.000 2.370 392 V HA 0.277 4.398 4.120 0.001 0.000 0.283 392 V C -0.241 176.094 176.094 0.402 0.000 1.023 392 V CA -0.532 61.938 62.300 0.283 0.000 0.857 392 V CB 1.158 33.142 31.823 0.268 0.000 0.985 392 V HN 0.663 nan 8.190 nan 0.000 0.443 393 H N 5.526 124.752 119.070 0.259 0.000 2.646 393 H HA 0.596 5.152 4.556 0.001 0.000 0.328 393 H C -1.180 174.260 175.328 0.186 0.000 0.998 393 H CA -0.909 55.306 56.048 0.279 0.000 1.225 393 H CB 1.373 31.297 29.762 0.270 0.000 1.457 393 H HN 0.570 nan 8.280 nan 0.000 0.505 394 I N 5.635 126.367 120.570 0.270 0.000 2.354 394 I HA 0.189 4.359 4.170 0.001 0.000 0.286 394 I C -0.574 175.488 176.117 -0.092 0.000 1.007 394 I CA -0.241 61.042 61.300 -0.028 0.000 1.167 394 I CB 1.323 39.208 38.000 -0.191 0.000 1.320 394 I HN 0.574 nan 8.210 nan 0.000 0.458 395 D N 5.262 125.526 120.400 -0.227 0.000 2.756 395 D HA 0.301 4.941 4.640 0.001 0.000 0.226 395 D C 0.204 176.416 176.300 -0.147 0.000 1.186 395 D CA -0.497 53.397 54.000 -0.176 0.000 0.845 395 D CB 3.073 43.719 40.800 -0.257 0.000 1.610 395 D HN 0.461 nan 8.370 nan 0.000 0.465 396 I N 1.054 121.565 120.570 -0.099 0.000 3.251 396 I HA -0.045 4.126 4.170 0.001 0.000 0.277 396 I C -0.006 176.058 176.117 -0.089 0.000 1.268 396 I CA 0.527 61.771 61.300 -0.094 0.000 1.449 396 I CB 0.351 38.307 38.000 -0.073 0.000 1.083 396 I HN 0.168 nan 8.210 nan 0.000 0.464 397 D N -0.578 119.776 120.400 -0.076 0.000 2.414 397 D HA 0.116 4.757 4.640 0.001 0.000 0.232 397 D C 1.180 177.437 176.300 -0.072 0.000 1.070 397 D CA -0.056 53.908 54.000 -0.060 0.000 0.839 397 D CB 1.488 42.274 40.800 -0.024 0.000 1.079 397 D HN 0.156 nan 8.370 nan 0.000 0.521 398 S N 2.719 118.373 115.700 -0.077 0.000 2.419 398 S HA -0.168 4.303 4.470 0.001 0.000 0.233 398 S C 1.982 176.552 174.600 -0.050 0.000 1.016 398 S CA 0.797 58.952 58.200 -0.076 0.000 0.974 398 S CB -0.205 62.952 63.200 -0.072 0.000 0.786 398 S HN 0.441 nan 8.310 nan 0.000 0.492 399 A N 1.517 124.318 122.820 -0.032 0.000 2.070 399 A HA -0.046 4.275 4.320 0.001 0.000 0.220 399 A C 2.192 179.778 177.584 0.004 0.000 1.159 399 A CA 1.274 53.303 52.037 -0.013 0.000 0.656 399 A CB -0.359 18.638 19.000 -0.005 0.000 0.800 399 A HN 0.477 nan 8.150 nan 0.000 0.453 400 E N -0.365 119.842 120.200 0.012 0.000 2.250 400 E HA 0.096 4.446 4.350 0.001 0.000 0.192 400 E C 0.234 176.898 176.600 0.108 0.000 0.986 400 E CA 0.126 56.571 56.400 0.074 0.000 0.849 400 E CB -0.070 29.696 29.700 0.109 0.000 0.797 400 E HN 0.662 nan 8.360 nan 0.000 0.482 401 I N 1.278 121.844 120.570 -0.007 0.000 2.406 401 I HA 0.091 4.261 4.170 0.001 0.000 0.293 401 I C 1.094 177.219 176.117 0.013 0.000 1.101 401 I CA 0.396 61.682 61.300 -0.024 0.000 1.334 401 I CB 0.206 38.121 38.000 -0.141 0.000 1.421 401 I HN 0.132 nan 8.210 nan 0.000 0.513 402 G N 4.818 113.634 108.800 0.027 0.000 2.132 402 G HA2 -0.298 3.662 3.960 0.001 0.000 0.234 402 G HA3 -0.298 3.662 3.960 0.001 0.000 0.234 402 G C 0.988 175.854 174.900 -0.056 0.000 0.989 402 G CA 0.400 45.472 45.100 -0.047 0.000 0.676 402 G HN 0.699 nan 8.290 nan 0.000 0.522 403 K N -0.370 120.008 120.400 -0.036 0.000 2.007 403 K HA -0.020 4.300 4.320 0.001 0.000 0.206 403 K C 2.163 178.733 176.600 -0.051 0.000 1.047 403 K CA 1.550 57.822 56.287 -0.026 0.000 0.937 403 K CB -0.145 32.362 32.500 0.012 0.000 0.718 403 K HN 0.363 nan 8.250 nan 0.000 0.438 404 N N -0.311 118.334 118.700 -0.091 0.000 2.591 404 N HA 0.027 4.767 4.740 0.001 0.000 0.200 404 N C -0.217 175.206 175.510 -0.144 0.000 1.040 404 N CA 0.537 53.533 53.050 -0.091 0.000 0.911 404 N CB 0.437 38.902 38.487 -0.038 0.000 1.259 404 N HN -0.051 nan 8.380 nan 0.000 0.438 405 K N 1.801 122.012 120.400 -0.314 0.000 2.182 405 K HA 0.309 4.630 4.320 0.001 0.000 0.262 405 K C -0.522 175.894 176.600 -0.308 0.000 0.957 405 K CA -0.256 55.855 56.287 -0.294 0.000 0.842 405 K CB 1.745 34.047 32.500 -0.330 0.000 1.099 405 K HN 0.156 nan 8.250 nan 0.000 0.438 406 T N 0.868 115.318 114.554 -0.172 0.000 2.780 406 T HA 0.371 4.722 4.350 0.001 0.000 0.294 406 T C -1.843 172.786 174.700 -0.118 0.000 0.949 406 T CA -1.473 60.546 62.100 -0.134 0.000 1.074 406 T CB 0.755 69.560 68.868 -0.106 0.000 0.910 406 T HN 0.279 nan 8.240 nan 0.000 0.501 407 P HA 0.325 nan 4.420 nan 0.000 0.276 407 P C 0.084 177.391 177.300 0.011 0.000 1.261 407 P CA -0.496 62.637 63.100 0.056 0.000 0.800 407 P CB 0.964 32.757 31.700 0.156 0.000 1.066 408 H N -1.325 117.778 119.070 0.054 0.000 2.415 408 H HA 0.154 4.711 4.556 0.001 0.000 0.297 408 H C 0.302 175.667 175.328 0.062 0.000 1.048 408 H CA 0.966 57.041 56.048 0.045 0.000 1.365 408 H CB 0.129 29.914 29.762 0.037 0.000 1.421 408 H HN 0.003 nan 8.280 nan 0.000 0.533 409 V N 0.312 120.359 119.914 0.221 0.000 2.709 409 V HA 0.431 4.552 4.120 0.001 0.000 0.308 409 V C -0.585 175.617 176.094 0.180 0.000 1.062 409 V CA -0.825 61.585 62.300 0.184 0.000 0.901 409 V CB 2.228 34.160 31.823 0.181 0.000 1.003 409 V HN 0.138 nan 8.190 nan 0.000 0.425 410 S N 2.638 118.429 115.700 0.151 0.000 2.542 410 S HA 0.832 5.302 4.470 0.001 0.000 0.293 410 S C -0.852 173.756 174.600 0.013 0.000 1.089 410 S CA -0.753 57.493 58.200 0.078 0.000 0.961 410 S CB 2.196 65.410 63.200 0.023 0.000 1.062 410 S HN 0.463 nan 8.310 nan 0.000 0.483 411 V N 1.396 121.265 119.914 -0.076 0.000 2.482 411 V HA 0.346 4.466 4.120 0.001 0.000 0.295 411 V C -0.556 175.419 176.094 -0.199 0.000 1.026 411 V CA -0.811 61.371 62.300 -0.196 0.000 0.856 411 V CB 1.426 33.149 31.823 -0.166 0.000 1.001 411 V HN 1.085 nan 8.190 nan 0.000 0.424 412 C N 5.433 124.605 119.300 -0.214 0.000 2.256 412 C HA 0.891 5.351 4.460 0.001 0.000 0.333 412 C C 0.803 175.693 174.990 -0.166 0.000 1.183 412 C CA 0.818 59.729 59.018 -0.178 0.000 1.692 412 C CB -1.357 26.292 27.740 -0.152 0.000 2.274 412 C HN 1.236 nan 8.230 nan 0.000 0.509 413 G N 4.502 113.210 108.800 -0.153 0.000 2.317 413 G HA2 0.274 4.234 3.960 0.001 0.000 0.293 413 G HA3 0.274 4.234 3.960 0.001 0.000 0.293 413 G C -1.820 173.005 174.900 -0.125 0.000 1.287 413 G CA -0.476 44.545 45.100 -0.132 0.000 0.850 413 G HN 0.547 nan 8.290 nan 0.000 0.515 414 D N 0.012 120.348 120.400 -0.108 0.000 2.343 414 D HA 0.263 4.904 4.640 0.001 0.000 0.255 414 D C 1.484 177.704 176.300 -0.132 0.000 1.187 414 D CA 0.128 54.069 54.000 -0.098 0.000 0.875 414 D CB 1.676 42.434 40.800 -0.070 0.000 1.136 414 D HN 0.356 nan 8.370 nan 0.000 0.469 415 V N 5.081 124.906 119.914 -0.149 0.000 2.490 415 V HA -0.192 3.928 4.120 0.001 0.000 0.250 415 V C 2.277 178.254 176.094 -0.195 0.000 1.061 415 V CA 2.170 64.332 62.300 -0.230 0.000 1.064 415 V CB -0.331 31.362 31.823 -0.216 0.000 0.670 415 V HN 0.654 nan 8.190 nan 0.000 0.461 416 K N -0.429 119.905 120.400 -0.110 0.000 2.063 416 K HA -0.178 4.142 4.320 0.001 0.000 0.208 416 K C 2.009 178.568 176.600 -0.069 0.000 1.048 416 K CA 2.173 58.419 56.287 -0.069 0.000 0.928 416 K CB -0.257 32.223 32.500 -0.033 0.000 0.713 416 K HN 0.547 nan 8.250 nan 0.000 0.442 417 L N 0.001 121.179 121.223 -0.075 0.000 2.109 417 L HA -0.054 4.286 4.340 0.001 0.000 0.207 417 L C 2.592 179.414 176.870 -0.080 0.000 1.086 417 L CA 0.884 55.688 54.840 -0.060 0.000 0.760 417 L CB -0.468 41.559 42.059 -0.053 0.000 0.910 417 L HN 0.273 nan 8.230 nan 0.000 0.437 418 A N 0.390 123.125 122.820 -0.141 0.000 1.898 418 A HA -0.141 4.179 4.320 0.001 0.000 0.216 418 A C 2.251 179.733 177.584 -0.170 0.000 1.181 418 A CA 1.326 53.256 52.037 -0.179 0.000 0.620 418 A CB -0.616 18.204 19.000 -0.299 0.000 0.819 418 A HN 0.326 nan 8.150 nan 0.000 0.442 419 L N -1.021 120.079 121.223 -0.206 0.000 2.046 419 L HA -0.249 4.091 4.340 0.001 0.000 0.208 419 L C 2.886 179.775 176.870 0.031 0.000 1.077 419 L CA 1.649 56.418 54.840 -0.119 0.000 0.747 419 L CB -0.584 41.399 42.059 -0.128 0.000 0.896 419 L HN 0.451 nan 8.230 nan 0.000 0.432 420 Q N -0.338 119.467 119.800 0.009 0.000 2.061 420 Q HA -0.188 4.153 4.340 0.001 0.000 0.204 420 Q C 2.285 178.314 176.000 0.047 0.000 0.984 420 Q CA 1.660 57.485 55.803 0.037 0.000 0.846 420 Q CB -0.432 28.317 28.738 0.018 0.000 0.902 420 Q HN 0.620 nan 8.270 nan 0.000 0.421 421 G N 0.243 109.060 108.800 0.028 0.000 2.402 421 G HA2 -0.234 3.726 3.960 0.001 0.000 0.216 421 G HA3 -0.234 3.726 3.960 0.001 0.000 0.216 421 G C 1.349 176.292 174.900 0.073 0.000 1.162 421 G CA 0.648 45.771 45.100 0.039 0.000 0.777 421 G HN 0.195 nan 8.290 nan 0.000 0.539 422 M N 0.551 120.212 119.600 0.103 0.000 2.229 422 M HA -0.025 4.455 4.480 0.001 0.000 0.264 422 M C 2.325 178.744 176.300 0.198 0.000 1.063 422 M CA 0.813 56.224 55.300 0.185 0.000 1.114 422 M CB -0.275 32.510 32.600 0.308 0.000 1.387 422 M HN 0.119 nan 8.290 nan 0.000 0.420 423 N N 1.292 120.110 118.700 0.196 0.000 2.120 423 N HA -0.156 4.584 4.740 0.001 0.000 0.188 423 N C 1.511 177.075 175.510 0.090 0.000 1.024 423 N CA 1.359 54.503 53.050 0.156 0.000 0.852 423 N CB -0.376 38.204 38.487 0.155 0.000 1.003 423 N HN 0.529 nan 8.380 nan 0.000 0.424 424 K N 0.219 120.664 120.400 0.076 0.000 2.296 424 K HA 0.092 4.412 4.320 0.001 0.000 0.200 424 K C 1.652 178.281 176.600 0.048 0.000 1.048 424 K CA 0.648 56.967 56.287 0.054 0.000 0.966 424 K CB -0.149 32.378 32.500 0.045 0.000 0.754 424 K HN -0.106 nan 8.250 nan 0.000 0.466 425 V N 2.021 121.970 119.914 0.059 0.000 2.453 425 V HA -0.168 3.952 4.120 0.001 0.000 0.247 425 V C 2.254 178.373 176.094 0.043 0.000 1.048 425 V CA 1.308 63.639 62.300 0.052 0.000 1.049 425 V CB -0.418 31.444 31.823 0.065 0.000 0.672 425 V HN 0.244 nan 8.190 nan 0.000 0.457 426 L N -0.502 120.748 121.223 0.046 0.000 2.217 426 L HA -0.121 4.219 4.340 0.001 0.000 0.211 426 L C 2.484 179.359 176.870 0.008 0.000 1.107 426 L CA 1.321 56.170 54.840 0.016 0.000 0.783 426 L CB -0.392 41.658 42.059 -0.015 0.000 0.919 426 L HN 0.352 nan 8.230 nan 0.000 0.442 427 E N -0.097 120.115 120.200 0.020 0.000 2.047 427 E HA -0.168 4.182 4.350 0.001 0.000 0.191 427 E C 1.829 178.437 176.600 0.013 0.000 0.987 427 E CA 0.919 57.329 56.400 0.017 0.000 0.799 427 E CB 0.074 29.789 29.700 0.025 0.000 0.752 427 E HN 0.431 nan 8.360 nan 0.000 0.449 428 N N 0.509 119.219 118.700 0.017 0.000 2.309 428 N HA -0.102 4.638 4.740 0.001 0.000 0.182 428 N C 0.888 176.403 175.510 0.009 0.000 1.018 428 N CA 0.973 54.031 53.050 0.014 0.000 0.876 428 N CB 0.070 38.568 38.487 0.018 0.000 0.972 428 N HN 0.120 nan 8.380 nan 0.000 0.434 429 R N -0.297 120.208 120.500 0.007 0.000 2.543 429 R HA 0.386 4.726 4.340 0.001 0.000 0.323 429 R C 1.425 177.720 176.300 -0.007 0.000 1.002 429 R CA -0.003 56.098 56.100 0.002 0.000 1.106 429 R CB 0.434 30.738 30.300 0.007 0.000 1.280 429 R HN 0.019 nan 8.270 nan 0.000 0.549 430 A N 1.881 124.695 122.820 -0.009 0.000 1.927 430 A HA -0.246 4.075 4.320 0.001 0.000 0.220 430 A C 1.767 179.335 177.584 -0.026 0.000 1.185 430 A CA 1.626 53.651 52.037 -0.020 0.000 0.639 430 A CB -0.138 18.852 19.000 -0.016 0.000 0.820 430 A HN 0.337 nan 8.150 nan 0.000 0.451 431 E N -1.435 118.753 120.200 -0.019 0.000 2.385 431 E HA -0.041 4.310 4.350 0.001 0.000 0.194 431 E C 1.889 178.477 176.600 -0.022 0.000 1.013 431 E CA 0.505 56.892 56.400 -0.022 0.000 0.866 431 E CB 0.073 29.764 29.700 -0.015 0.000 0.832 431 E HN 0.812 nan 8.360 nan 0.000 0.500 432 E N 0.588 120.777 120.200 -0.017 0.000 2.216 432 E HA -0.095 4.255 4.350 0.001 0.000 0.192 432 E C 1.718 178.305 176.600 -0.022 0.000 0.988 432 E CA 0.493 56.884 56.400 -0.015 0.000 0.834 432 E CB 0.273 29.968 29.700 -0.008 0.000 0.772 432 E HN 0.223 nan 8.360 nan 0.000 0.479 433 L N 0.262 121.468 121.223 -0.028 0.000 2.298 433 L HA 0.057 4.398 4.340 0.001 0.000 0.209 433 L C 0.493 177.323 176.870 -0.068 0.000 1.084 433 L CA 0.079 54.896 54.840 -0.039 0.000 0.816 433 L CB 0.143 42.182 42.059 -0.033 0.000 0.967 433 L HN -0.084 nan 8.230 nan 0.000 0.460 434 K N 1.836 122.193 120.400 -0.071 0.000 3.490 434 K HA -0.184 4.136 4.320 0.001 0.000 0.273 434 K C -0.392 176.115 176.600 -0.156 0.000 0.916 434 K CA 0.663 56.894 56.287 -0.092 0.000 0.718 434 K CB -2.020 30.435 32.500 -0.074 0.000 1.477 434 K HN 0.344 nan 8.250 nan 0.000 0.452 435 L N 1.124 122.231 121.223 -0.192 0.000 2.418 435 L HA 0.103 4.443 4.340 0.001 0.000 0.274 435 L C 0.546 177.158 176.870 -0.430 0.000 1.135 435 L CA 0.088 54.706 54.840 -0.370 0.000 0.870 435 L CB 0.342 42.221 42.059 -0.300 0.000 1.154 435 L HN 0.136 nan 8.230 nan 0.000 0.462 436 D N 3.215 123.244 120.400 -0.619 0.000 2.375 436 D HA 0.232 4.872 4.640 0.001 0.000 0.241 436 D C -0.482 175.555 176.300 -0.439 0.000 1.361 436 D CA -0.354 53.404 54.000 -0.404 0.000 0.995 436 D CB 0.655 41.339 40.800 -0.195 0.000 1.312 436 D HN 0.228 nan 8.370 nan 0.000 0.576 437 F N 1.644 121.626 119.950 0.053 0.000 2.730 437 F HA 0.317 4.845 4.527 0.001 0.000 0.295 437 F C 2.098 177.973 175.800 0.124 0.000 1.143 437 F CA -0.591 57.477 58.000 0.112 0.000 1.367 437 F CB 1.005 40.101 39.000 0.159 0.000 0.970 437 F HN 0.508 nan 8.300 nan 0.000 0.514 438 G N 0.386 109.285 108.800 0.165 0.000 2.442 438 G HA2 -0.208 3.752 3.960 0.001 0.000 0.219 438 G HA3 -0.208 3.752 3.960 0.001 0.000 0.219 438 G C 1.666 176.638 174.900 0.119 0.000 1.141 438 G CA 1.193 46.359 45.100 0.111 0.000 0.763 438 G HN 0.264 nan 8.290 nan 0.000 0.554 439 V N -0.076 119.930 119.914 0.153 0.000 2.358 439 V HA -0.116 4.004 4.120 0.001 0.000 0.246 439 V C 2.251 178.480 176.094 0.225 0.000 1.047 439 V CA 1.671 64.063 62.300 0.152 0.000 1.035 439 V CB -0.626 31.281 31.823 0.140 0.000 0.658 439 V HN 0.680 nan 8.190 nan 0.000 0.452 440 W N 1.092 122.444 121.300 0.087 0.000 2.378 440 W HA -0.181 4.479 4.660 0.000 0.000 0.313 440 W C 2.674 179.231 176.519 0.063 0.000 1.197 440 W CA 1.587 58.978 57.345 0.076 0.000 1.304 440 W CB -0.203 29.306 29.460 0.081 0.000 1.148 440 W HN 0.097 nan 8.180 nan 0.000 0.494 441 R N 0.521 121.027 120.500 0.009 0.000 2.139 441 R HA -0.244 4.097 4.340 0.001 0.000 0.243 441 R C 1.935 178.141 176.300 -0.157 0.000 1.145 441 R CA 2.061 58.072 56.100 -0.148 0.000 0.976 441 R CB -0.550 29.761 30.300 0.017 0.000 0.866 441 R HN 0.196 nan 8.270 nan 0.000 0.449 442 N N 0.403 119.062 118.700 -0.068 0.000 2.207 442 N HA -0.166 4.574 4.740 0.001 0.000 0.182 442 N C 1.577 177.022 175.510 -0.108 0.000 1.020 442 N CA 1.202 54.211 53.050 -0.068 0.000 0.858 442 N CB 0.042 38.521 38.487 -0.014 0.000 0.991 442 N HN 0.240 nan 8.380 nan 0.000 0.427 443 E N 0.064 120.204 120.200 -0.100 0.000 2.118 443 E HA -0.163 4.188 4.350 0.001 0.000 0.195 443 E C 1.700 178.147 176.600 -0.256 0.000 0.992 443 E CA 0.891 57.226 56.400 -0.109 0.000 0.804 443 E CB -0.073 29.645 29.700 0.029 0.000 0.741 443 E HN 0.415 nan 8.360 nan 0.000 0.458 444 L N 0.717 121.697 121.223 -0.405 0.000 2.156 444 L HA -0.116 4.225 4.340 0.001 0.000 0.208 444 L C 2.244 178.943 176.870 -0.286 0.000 1.095 444 L CA 0.497 55.089 54.840 -0.412 0.000 0.770 444 L CB -0.419 41.318 42.059 -0.536 0.000 0.914 444 L HN 0.130 nan 8.230 nan 0.000 0.439 445 N N 0.143 118.699 118.700 -0.240 0.000 2.223 445 N HA -0.139 4.602 4.740 0.001 0.000 0.185 445 N C 1.907 177.312 175.510 -0.176 0.000 1.016 445 N CA 1.657 54.588 53.050 -0.199 0.000 0.863 445 N CB -0.213 38.187 38.487 -0.145 0.000 0.983 445 N HN 0.359 nan 8.380 nan 0.000 0.429 446 V N -1.037 118.784 119.914 -0.156 0.000 2.548 446 V HA -0.060 4.060 4.120 0.001 0.000 0.249 446 V C 2.033 178.058 176.094 -0.115 0.000 1.055 446 V CA 1.182 63.408 62.300 -0.123 0.000 1.065 446 V CB -0.429 31.338 31.823 -0.094 0.000 0.681 446 V HN 0.057 nan 8.190 nan 0.000 0.462 447 Q N 0.965 120.666 119.800 -0.165 0.000 2.167 447 Q HA -0.145 4.195 4.340 0.001 0.000 0.202 447 Q C 2.264 178.286 176.000 0.036 0.000 0.970 447 Q CA 1.980 57.739 55.803 -0.073 0.000 0.855 447 Q CB -0.354 28.186 28.738 -0.331 0.000 0.911 447 Q HN 0.762 nan 8.270 nan 0.000 0.438 448 K N 0.427 120.713 120.400 -0.191 0.000 2.283 448 K HA -0.105 4.215 4.320 0.001 0.000 0.202 448 K C 1.791 178.253 176.600 -0.230 0.000 1.048 448 K CA 0.791 56.790 56.287 -0.480 0.000 0.948 448 K CB 0.273 32.349 32.500 -0.707 0.000 0.742 448 K HN 0.217 nan 8.250 nan 0.000 0.458 449 Q N -0.441 119.275 119.800 -0.139 0.000 2.259 449 Q HA -0.007 4.334 4.340 0.001 0.000 0.201 449 Q C 1.560 177.496 176.000 -0.105 0.000 0.938 449 Q CA 0.713 56.452 55.803 -0.107 0.000 0.872 449 Q CB 0.365 29.040 28.738 -0.105 0.000 0.971 449 Q HN 0.165 nan 8.270 nan 0.000 0.494 450 K N -0.289 120.041 120.400 -0.117 0.000 2.296 450 K HA 0.012 4.332 4.320 0.001 0.000 0.200 450 K C -0.073 176.193 176.600 -0.556 0.000 1.048 450 K CA 0.654 56.754 56.287 -0.312 0.000 0.966 450 K CB 0.426 32.742 32.500 -0.307 0.000 0.754 450 K HN 0.032 nan 8.250 nan 0.000 0.466 451 F N 1.153 121.134 119.950 0.051 0.000 2.593 451 F HA 0.238 4.765 4.527 0.001 0.000 0.336 451 F C -2.391 173.537 175.800 0.214 0.000 1.491 451 F CA -2.184 55.890 58.000 0.122 0.000 1.114 451 F CB 0.973 40.064 39.000 0.153 0.000 1.468 451 F HN -0.139 nan 8.300 nan 0.000 0.579 452 P HA 0.198 nan 4.420 nan 0.000 0.278 452 P C -0.089 177.376 177.300 0.275 0.000 1.266 452 P CA -0.398 62.870 63.100 0.279 0.000 0.807 452 P CB 1.610 33.378 31.700 0.114 0.000 1.094 453 L N 0.988 122.363 121.223 0.252 0.000 2.513 453 L HA 0.148 4.488 4.340 0.001 0.000 0.272 453 L C 0.977 178.033 176.870 0.310 0.000 1.187 453 L CA 0.765 55.730 54.840 0.208 0.000 0.895 453 L CB -0.046 42.000 42.059 -0.022 0.000 1.147 453 L HN 0.562 nan 8.230 nan 0.000 0.483 454 S N 3.145 119.067 115.700 0.370 0.000 2.564 454 S HA 0.841 5.312 4.470 0.001 0.000 0.274 454 S C -0.872 173.947 174.600 0.364 0.000 1.124 454 S CA -0.847 57.521 58.200 0.279 0.000 0.869 454 S CB 2.161 65.424 63.200 0.105 0.000 1.105 454 S HN 0.447 nan 8.310 nan 0.000 0.472 455 F N -1.037 118.959 119.950 0.076 0.000 2.619 455 F HA 0.770 5.297 4.527 0.000 0.000 0.308 455 F C -0.824 174.925 175.800 -0.086 0.000 1.097 455 F CA -1.103 56.887 58.000 -0.017 0.000 0.953 455 F CB 1.314 40.215 39.000 -0.165 0.000 1.287 455 F HN 0.658 nan 8.300 nan 0.000 0.446 456 K N 1.089 121.492 120.400 0.005 0.000 2.118 456 K HA 0.657 4.977 4.320 0.001 0.000 0.264 456 K C -0.932 175.559 176.600 -0.181 0.000 1.000 456 K CA -0.583 55.560 56.287 -0.240 0.000 0.929 456 K CB 1.610 33.920 32.500 -0.316 0.000 1.021 456 K HN 0.836 nan 8.250 nan 0.000 0.463 457 T N 2.976 117.280 114.554 -0.417 0.000 2.809 457 T HA 0.413 4.763 4.350 0.001 0.000 0.284 457 T C -1.100 173.342 174.700 -0.430 0.000 0.992 457 T CA -0.532 61.419 62.100 -0.250 0.000 0.957 457 T CB 0.222 68.969 68.868 -0.201 0.000 0.942 457 T HN 0.230 nan 8.240 nan 0.000 0.439 458 F N 2.624 122.544 119.950 -0.050 0.000 2.375 458 F HA 0.550 5.078 4.527 0.001 0.000 0.361 458 F C 1.408 177.181 175.800 -0.044 0.000 1.117 458 F CA -0.225 57.746 58.000 -0.047 0.000 1.037 458 F CB 0.874 39.849 39.000 -0.042 0.000 1.192 458 F HN 0.908 nan 8.300 nan 0.000 0.452 459 G N 2.803 111.647 108.800 0.073 0.000 2.672 459 G HA2 -0.333 3.627 3.960 0.001 0.000 0.324 459 G HA3 -0.333 3.627 3.960 0.001 0.000 0.324 459 G C 0.974 175.884 174.900 0.016 0.000 1.286 459 G CA 0.469 45.592 45.100 0.038 0.000 1.004 459 G HN 0.517 nan 8.290 nan 0.000 0.548 460 E N 1.742 121.958 120.200 0.026 0.000 2.474 460 E HA 0.460 4.811 4.350 0.001 0.000 0.195 460 E C 1.446 178.063 176.600 0.028 0.000 1.039 460 E CA 0.666 57.075 56.400 0.015 0.000 0.881 460 E CB -0.018 29.691 29.700 0.015 0.000 0.970 460 E HN 0.844 nan 8.360 nan 0.000 0.486 461 A N 1.045 123.896 122.820 0.051 0.000 2.425 461 A HA 0.269 4.590 4.320 0.001 0.000 0.249 461 A C 0.335 177.949 177.584 0.050 0.000 1.084 461 A CA -0.282 51.791 52.037 0.059 0.000 0.781 461 A CB 0.048 19.094 19.000 0.078 0.000 1.019 461 A HN 0.151 nan 8.150 nan 0.000 0.490 462 I N 3.858 124.454 120.570 0.043 0.000 2.452 462 I HA 0.175 4.345 4.170 0.001 0.000 0.287 462 I C -1.978 174.138 176.117 -0.002 0.000 1.079 462 I CA -1.453 59.868 61.300 0.034 0.000 1.387 462 I CB 0.976 39.001 38.000 0.042 0.000 1.404 462 I HN 0.402 nan 8.210 nan 0.000 0.522 463 P HA 0.172 nan 4.420 nan 0.000 0.282 463 P C -2.063 175.042 177.300 -0.325 0.000 1.274 463 P CA -1.762 61.235 63.100 -0.172 0.000 0.770 463 P CB 0.425 32.030 31.700 -0.158 0.000 0.867 464 P HA -0.249 nan 4.420 nan 0.000 0.215 464 P C 1.205 178.165 177.300 -0.567 0.000 1.157 464 P CA 1.798 64.655 63.100 -0.405 0.000 0.874 464 P CB 0.037 31.441 31.700 -0.493 0.000 0.790 465 Q N -1.007 118.161 119.800 -1.054 0.000 2.096 465 Q HA -0.227 4.114 4.340 0.001 0.000 0.208 465 Q C 2.327 177.657 176.000 -1.116 0.000 0.993 465 Q CA 1.776 56.732 55.803 -1.412 0.000 0.862 465 Q CB -1.514 25.877 28.738 -2.246 0.000 0.915 465 Q HN 0.334 nan 8.270 nan 0.000 0.416 466 Y N 0.509 120.106 120.300 -1.171 0.000 2.242 466 Y HA -0.136 4.414 4.550 0.001 0.000 0.291 466 Y C 2.167 177.874 175.900 -0.322 0.000 1.137 466 Y CA 1.094 58.787 58.100 -0.679 0.000 1.181 466 Y CB -0.509 37.692 38.460 -0.432 0.000 0.989 466 Y HN 0.107 nan 8.280 nan 0.000 0.527 467 A N 0.487 123.145 122.820 -0.270 0.000 1.883 467 A HA -0.198 4.123 4.320 0.001 0.000 0.217 467 A C 2.275 179.755 177.584 -0.174 0.000 1.186 467 A CA 2.116 54.033 52.037 -0.199 0.000 0.624 467 A CB -1.167 17.782 19.000 -0.085 0.000 0.822 467 A HN 0.544 nan 8.150 nan 0.000 0.444 468 I N -0.786 119.711 120.570 -0.122 0.000 2.286 468 I HA -0.266 3.904 4.170 0.001 0.000 0.248 468 I C 2.542 178.657 176.117 -0.004 0.000 1.115 468 I CA 1.691 63.007 61.300 0.026 0.000 1.392 468 I CB -0.200 37.885 38.000 0.141 0.000 1.065 468 I HN 0.304 nan 8.210 nan 0.000 0.418 469 K N 0.349 120.663 120.400 -0.143 0.000 2.097 469 K HA -0.136 4.185 4.320 0.001 0.000 0.206 469 K C 2.052 178.518 176.600 -0.223 0.000 1.049 469 K CA 1.175 57.373 56.287 -0.147 0.000 0.933 469 K CB 0.064 32.474 32.500 -0.149 0.000 0.717 469 K HN 0.130 nan 8.250 nan 0.000 0.442 470 V N 1.308 121.017 119.914 -0.341 0.000 2.358 470 V HA -0.231 3.890 4.120 0.001 0.000 0.246 470 V C 2.140 178.149 176.094 -0.142 0.000 1.047 470 V CA 1.292 63.415 62.300 -0.296 0.000 1.035 470 V CB -0.347 31.243 31.823 -0.388 0.000 0.658 470 V HN 0.304 nan 8.190 nan 0.000 0.452 471 L N 0.633 121.814 121.223 -0.070 0.000 2.012 471 L HA -0.215 4.125 4.340 0.001 0.000 0.210 471 L C 2.207 179.122 176.870 0.075 0.000 1.073 471 L CA 2.412 57.279 54.840 0.045 0.000 0.748 471 L CB -0.803 41.335 42.059 0.132 0.000 0.891 471 L HN 0.371 nan 8.230 nan 0.000 0.431 472 D N -0.490 119.886 120.400 -0.041 0.000 2.106 472 D HA -0.301 4.339 4.640 0.001 0.000 0.191 472 D C 2.110 178.247 176.300 -0.272 0.000 0.997 472 D CA 1.721 55.451 54.000 -0.450 0.000 0.834 472 D CB -0.037 40.389 40.800 -0.623 0.000 0.956 472 D HN 0.635 nan 8.370 nan 0.000 0.448 473 E N -0.294 119.798 120.200 -0.181 0.000 2.051 473 E HA -0.137 4.213 4.350 0.001 0.000 0.192 473 E C 2.391 178.941 176.600 -0.083 0.000 0.991 473 E CA 0.950 57.273 56.400 -0.127 0.000 0.799 473 E CB -0.320 29.316 29.700 -0.108 0.000 0.748 473 E HN 0.333 nan 8.360 nan 0.000 0.449 474 L N 0.582 121.767 121.223 -0.065 0.000 2.291 474 L HA -0.029 4.311 4.340 0.001 0.000 0.214 474 L C 2.245 179.108 176.870 -0.011 0.000 1.120 474 L CA 1.429 56.247 54.840 -0.037 0.000 0.799 474 L CB -0.256 41.780 42.059 -0.038 0.000 0.925 474 L HN 0.375 nan 8.230 nan 0.000 0.446 475 T N -5.781 108.780 114.554 0.011 0.000 3.086 475 T HA 0.035 4.385 4.350 0.001 0.000 0.250 475 T C 0.753 175.472 174.700 0.031 0.000 1.074 475 T CA 0.217 62.349 62.100 0.053 0.000 0.988 475 T CB 0.126 69.085 68.868 0.152 0.000 0.988 475 T HN 0.188 nan 8.240 nan 0.000 0.530 476 D N 1.163 121.547 120.400 -0.027 0.000 3.012 476 D HA -0.147 4.493 4.640 0.001 0.000 0.222 476 D C 1.184 177.447 176.300 -0.063 0.000 1.167 476 D CA 1.507 55.479 54.000 -0.047 0.000 0.854 476 D CB -1.619 39.171 40.800 -0.016 0.000 1.107 476 D HN 0.927 nan 8.370 nan 0.000 0.421 477 G N -0.358 108.369 108.800 -0.121 0.000 2.168 477 G HA2 -0.405 3.556 3.960 0.001 0.000 0.257 477 G HA3 -0.405 3.556 3.960 0.001 0.000 0.257 477 G C 0.909 175.895 174.900 0.144 0.000 0.997 477 G CA 0.811 45.815 45.100 -0.160 0.000 0.708 477 G HN 0.549 nan 8.290 nan 0.000 0.520 478 K N -0.169 120.333 120.400 0.170 0.000 2.358 478 K HA 0.533 4.853 4.320 0.001 0.000 0.197 478 K C 1.428 178.140 176.600 0.187 0.000 1.025 478 K CA 0.419 56.802 56.287 0.159 0.000 1.104 478 K CB 0.656 33.212 32.500 0.093 0.000 0.855 478 K HN 0.546 nan 8.250 nan 0.000 0.531 479 A N 1.352 124.324 122.820 0.254 0.000 2.351 479 A HA 0.363 4.683 4.320 0.001 0.000 0.257 479 A C -0.037 177.618 177.584 0.119 0.000 1.087 479 A CA -0.409 51.720 52.037 0.153 0.000 0.798 479 A CB 0.183 19.258 19.000 0.125 0.000 1.033 479 A HN 0.184 nan 8.150 nan 0.000 0.488 480 I N 2.394 123.016 120.570 0.085 0.000 2.325 480 I HA 0.185 4.355 4.170 0.001 0.000 0.291 480 I C -0.600 175.547 176.117 0.050 0.000 1.019 480 I CA -0.187 61.163 61.300 0.084 0.000 1.302 480 I CB 0.757 38.791 38.000 0.058 0.000 1.401 480 I HN 0.343 nan 8.210 nan 0.000 0.485 481 I N 5.934 126.557 120.570 0.089 0.000 2.362 481 I HA 0.248 4.418 4.170 0.001 0.000 0.289 481 I C 0.363 176.496 176.117 0.025 0.000 0.994 481 I CA -0.230 61.120 61.300 0.084 0.000 1.158 481 I CB 1.414 39.534 38.000 0.200 0.000 1.315 481 I HN 0.543 nan 8.210 nan 0.000 0.451 482 S N 4.400 120.091 115.700 -0.014 0.000 2.638 482 S HA 0.896 5.367 4.470 0.001 0.000 0.298 482 S C -0.039 174.558 174.600 -0.005 0.000 1.111 482 S CA -0.455 57.700 58.200 -0.075 0.000 1.027 482 S CB 2.327 65.458 63.200 -0.114 0.000 1.064 482 S HN 0.716 nan 8.310 nan 0.000 0.525 483 T N -1.447 113.101 114.554 -0.010 0.000 2.883 483 T HA 0.785 5.135 4.350 0.001 0.000 0.296 483 T C 0.508 175.321 174.700 0.188 0.000 1.117 483 T CA -0.398 61.770 62.100 0.113 0.000 1.006 483 T CB 1.013 69.908 68.868 0.044 0.000 1.191 483 T HN 0.957 nan 8.240 nan 0.000 0.508 484 G N -0.098 108.948 108.800 0.410 0.000 2.546 484 G HA2 0.570 4.531 3.960 0.001 0.000 0.239 484 G HA3 0.570 4.531 3.960 0.001 0.000 0.239 484 G C -0.918 174.025 174.900 0.071 0.000 1.476 484 G CA -0.655 44.646 45.100 0.335 0.000 1.064 484 G HN 0.886 nan 8.290 nan 0.000 0.561 485 V N -0.133 119.828 119.914 0.079 0.000 2.540 485 V HA 0.807 4.928 4.120 0.001 0.000 0.302 485 V C 0.739 176.801 176.094 -0.054 0.000 1.035 485 V CA 0.747 62.994 62.300 -0.088 0.000 0.873 485 V CB 0.667 32.443 31.823 -0.079 0.000 0.992 485 V HN 1.693 nan 8.190 nan 0.000 0.428 486 G N 3.542 112.225 108.800 -0.196 0.000 2.260 486 G HA2 -0.043 3.917 3.960 0.001 0.000 0.250 486 G HA3 -0.043 3.917 3.960 0.001 0.000 0.250 486 G C 0.133 174.859 174.900 -0.289 0.000 1.340 486 G CA 0.064 45.085 45.100 -0.132 0.000 1.056 486 G HN 0.430 nan 8.290 nan 0.000 0.471 487 Q N -0.528 119.107 119.800 -0.276 0.000 2.050 487 Q HA -0.154 4.186 4.340 0.001 0.000 0.202 487 Q C 2.306 177.842 176.000 -0.772 0.000 0.980 487 Q CA 2.021 57.401 55.803 -0.705 0.000 0.840 487 Q CB -0.287 28.012 28.738 -0.732 0.000 0.898 487 Q HN 0.790 nan 8.270 nan 0.000 0.424 488 H N 0.169 119.119 119.070 -0.200 0.000 2.421 488 H HA -0.141 4.415 4.556 0.000 0.000 0.298 488 H C 1.801 177.223 175.328 0.158 0.000 1.087 488 H CA 1.570 57.721 56.048 0.172 0.000 1.330 488 H CB -0.222 29.676 29.762 0.226 0.000 1.388 488 H HN 0.354 nan 8.280 nan 0.000 0.526 489 Q N 0.191 119.603 119.800 -0.645 0.000 2.079 489 Q HA -0.089 4.252 4.340 0.001 0.000 0.200 489 Q C 2.091 178.098 176.000 0.011 0.000 0.974 489 Q CA 1.181 56.815 55.803 -0.282 0.000 0.840 489 Q CB 0.166 28.686 28.738 -0.363 0.000 0.898 489 Q HN 0.313 nan 8.270 nan 0.000 0.430 490 M N -0.701 118.792 119.600 -0.178 0.000 2.132 490 M HA -0.168 4.313 4.480 0.001 0.000 0.263 490 M C 1.793 178.119 176.300 0.043 0.000 1.065 490 M CA 1.098 56.311 55.300 -0.146 0.000 1.122 490 M CB -1.130 31.220 32.600 -0.417 0.000 1.365 490 M HN 0.391 nan 8.290 nan 0.000 0.411 491 W N 0.560 121.958 121.300 0.163 0.000 2.388 491 W HA 0.030 4.690 4.660 0.001 0.000 0.294 491 W C 2.683 179.397 176.519 0.325 0.000 1.212 491 W CA 1.278 58.811 57.345 0.314 0.000 1.271 491 W CB -1.440 28.167 29.460 0.245 0.000 1.126 491 W HN 0.288 nan 8.180 nan 0.000 0.535 492 A N 0.615 123.722 122.820 0.479 0.000 1.972 492 A HA -0.031 4.289 4.320 0.001 0.000 0.219 492 A C 2.250 180.009 177.584 0.293 0.000 1.169 492 A CA 2.633 54.936 52.037 0.444 0.000 0.635 492 A CB -0.930 18.390 19.000 0.533 0.000 0.810 492 A HN 0.129 nan 8.150 nan 0.000 0.446 493 A N -0.875 121.990 122.820 0.075 0.000 1.897 493 A HA -0.139 4.181 4.320 0.001 0.000 0.215 493 A C 2.122 179.652 177.584 -0.090 0.000 1.181 493 A CA 1.485 53.346 52.037 -0.293 0.000 0.620 493 A CB -0.427 18.398 19.000 -0.292 0.000 0.821 493 A HN 0.637 nan 8.150 nan 0.000 0.443 494 Q N -1.975 117.813 119.800 -0.020 0.000 2.137 494 Q HA 0.036 4.376 4.340 0.001 0.000 0.198 494 Q C 0.832 176.556 176.000 -0.460 0.000 0.960 494 Q CA 1.140 56.782 55.803 -0.268 0.000 0.847 494 Q CB -0.026 28.501 28.738 -0.351 0.000 0.915 494 Q HN 0.747 nan 8.270 nan 0.000 0.448 495 F N -1.661 118.340 119.950 0.086 0.000 2.682 495 F HA 0.195 4.723 4.527 0.000 0.000 0.308 495 F C 0.009 175.809 175.800 -0.001 0.000 1.093 495 F CA -0.499 57.520 58.000 0.032 0.000 1.244 495 F CB 0.644 39.655 39.000 0.018 0.000 1.052 495 F HN -0.051 nan 8.300 nan 0.000 0.573 496 Y N 1.161 121.433 120.300 -0.046 0.000 2.377 496 Y HA 0.409 4.959 4.550 0.001 0.000 0.339 496 Y C -0.158 175.457 175.900 -0.474 0.000 1.011 496 Y CA -1.124 56.803 58.100 -0.287 0.000 1.093 496 Y CB 0.740 38.943 38.460 -0.427 0.000 1.201 496 Y HN -0.163 nan 8.280 nan 0.000 0.455 497 N N 6.141 124.511 118.700 -0.549 0.000 2.767 497 N HA 0.086 4.826 4.740 0.001 0.000 0.238 497 N C -1.558 173.818 175.510 -0.223 0.000 1.083 497 N CA -0.122 52.754 53.050 -0.290 0.000 0.964 497 N CB -0.098 38.270 38.487 -0.198 0.000 1.252 497 N HN 0.538 nan 8.380 nan 0.000 0.512 498 Y N 0.860 121.274 120.300 0.191 0.000 2.544 498 Y HA 0.002 4.552 4.550 0.001 0.000 0.330 498 Y C 1.769 177.731 175.900 0.103 0.000 1.136 498 Y CA 0.185 58.409 58.100 0.207 0.000 1.417 498 Y CB 1.027 39.586 38.460 0.165 0.000 1.229 498 Y HN 0.233 nan 8.280 nan 0.000 0.532 499 K N 1.818 122.347 120.400 0.215 0.000 2.308 499 K HA 0.135 4.456 4.320 0.001 0.000 0.197 499 K C 0.022 176.685 176.600 0.105 0.000 1.049 499 K CA 0.519 56.868 56.287 0.104 0.000 0.991 499 K CB 0.425 32.963 32.500 0.064 0.000 0.836 499 K HN 0.403 nan 8.250 nan 0.000 0.500 500 K N 0.963 121.458 120.400 0.158 0.000 2.435 500 K HA 0.365 4.685 4.320 0.001 0.000 0.251 500 K C -2.858 173.834 176.600 0.152 0.000 0.954 500 K CA -2.276 54.088 56.287 0.129 0.000 0.820 500 K CB 1.919 34.483 32.500 0.107 0.000 1.292 500 K HN -0.169 nan 8.250 nan 0.000 0.436 501 P HA 0.209 nan 4.420 nan 0.000 0.274 501 P C -0.517 176.844 177.300 0.101 0.000 1.237 501 P CA -0.008 63.159 63.100 0.112 0.000 0.793 501 P CB 0.594 32.349 31.700 0.092 0.000 0.977 502 R N -0.465 120.091 120.500 0.093 0.000 3.854 502 R HA -0.163 4.177 4.340 0.001 0.000 0.430 502 R C 1.043 177.395 176.300 0.087 0.000 1.068 502 R CA 0.725 56.866 56.100 0.068 0.000 1.104 502 R CB -2.194 28.134 30.300 0.046 0.000 1.729 502 R HN 0.583 nan 8.270 nan 0.000 0.533 503 Q N -0.450 119.436 119.800 0.143 0.000 2.391 503 Q HA 0.071 4.412 4.340 0.001 0.000 0.211 503 Q C 0.310 176.421 176.000 0.186 0.000 0.908 503 Q CA 0.381 56.306 55.803 0.204 0.000 0.920 503 Q CB 0.466 29.430 28.738 0.375 0.000 1.056 503 Q HN 0.388 nan 8.270 nan 0.000 0.523 504 W N 1.988 123.168 121.300 -0.199 0.000 2.294 504 W HA 0.447 5.107 4.660 0.000 0.000 0.314 504 W C -1.823 174.604 176.519 -0.153 0.000 1.044 504 W CA -0.483 56.640 57.345 -0.369 0.000 1.284 504 W CB 0.383 29.421 29.460 -0.702 0.000 1.231 504 W HN -0.063 nan 8.180 nan 0.000 0.419 505 L N 6.602 127.516 121.223 -0.516 0.000 2.318 505 L HA 0.427 4.767 4.340 0.001 0.000 0.277 505 L C -0.074 176.455 176.870 -0.567 0.000 1.008 505 L CA -0.399 54.201 54.840 -0.400 0.000 0.846 505 L CB 1.364 43.353 42.059 -0.117 0.000 1.220 505 L HN 0.250 nan 8.230 nan 0.000 0.423 506 S N 1.058 116.304 115.700 -0.756 0.000 2.543 506 S HA 0.294 4.764 4.470 0.001 0.000 0.273 506 S C -0.777 173.293 174.600 -0.883 0.000 1.152 506 S CA -0.441 57.238 58.200 -0.869 0.000 0.910 506 S CB 2.159 64.591 63.200 -1.280 0.000 1.105 506 S HN 0.520 nan 8.310 nan 0.000 0.465 507 S N 3.079 118.099 115.700 -1.133 0.000 2.414 507 S HA 0.443 4.913 4.470 0.001 0.000 0.290 507 S C 1.124 175.443 174.600 -0.467 0.000 1.160 507 S CA 0.188 57.822 58.200 -0.942 0.000 1.069 507 S CB -0.075 62.487 63.200 -1.064 0.000 1.012 507 S HN 0.859 nan 8.310 nan 0.000 0.510 508 G N 4.036 112.643 108.800 -0.321 0.000 2.570 508 G HA2 0.191 4.151 3.960 0.001 0.000 0.209 508 G HA3 0.191 4.151 3.960 0.001 0.000 0.209 508 G C 1.217 176.045 174.900 -0.120 0.000 1.168 508 G CA 0.416 45.419 45.100 -0.161 0.000 0.831 508 G HN 0.776 nan 8.290 nan 0.000 0.564 509 G N 0.770 109.499 108.800 -0.119 0.000 2.404 509 G HA2 -0.019 3.941 3.960 0.001 0.000 0.213 509 G HA3 -0.019 3.941 3.960 0.001 0.000 0.213 509 G C 1.700 176.548 174.900 -0.087 0.000 1.189 509 G CA 0.971 46.022 45.100 -0.082 0.000 0.796 509 G HN 0.319 nan 8.290 nan 0.000 0.532 510 L N 0.839 121.998 121.223 -0.107 0.000 2.131 510 L HA 0.335 4.676 4.340 0.001 0.000 0.206 510 L C 1.783 178.586 176.870 -0.112 0.000 1.087 510 L CA 1.565 56.350 54.840 -0.091 0.000 0.767 510 L CB -0.468 41.548 42.059 -0.072 0.000 0.917 510 L HN 0.482 nan 8.230 nan 0.000 0.441 511 G N 0.139 108.838 108.800 -0.168 0.000 2.351 511 G HA2 -0.132 3.828 3.960 0.001 0.000 0.297 511 G HA3 -0.132 3.828 3.960 0.001 0.000 0.297 511 G C 0.240 175.049 174.900 -0.151 0.000 1.054 511 G CA 0.197 45.190 45.100 -0.178 0.000 1.123 511 G HN 0.815 nan 8.290 nan 0.000 0.512 512 A N 1.695 124.400 122.820 -0.192 0.000 2.309 512 A HA 0.774 5.094 4.320 0.001 0.000 0.290 512 A C 0.838 178.375 177.584 -0.077 0.000 1.206 512 A CA -0.133 51.852 52.037 -0.087 0.000 0.850 512 A CB 0.389 19.393 19.000 0.006 0.000 1.118 512 A HN 0.667 nan 8.150 nan 0.000 0.523 513 M N 1.671 121.272 119.600 0.001 0.000 2.232 513 M HA 0.347 4.828 4.480 0.001 0.000 0.321 513 M C 1.439 177.792 176.300 0.088 0.000 1.101 513 M CA 1.800 57.123 55.300 0.039 0.000 1.181 513 M CB 0.377 33.001 32.600 0.040 0.000 1.432 513 M HN 1.316 nan 8.290 nan 0.000 0.457 514 G N 1.243 110.090 108.800 0.078 0.000 2.143 514 G HA2 -0.299 3.661 3.960 0.001 0.000 0.248 514 G HA3 -0.299 3.661 3.960 0.001 0.000 0.248 514 G C 0.250 175.210 174.900 0.100 0.000 0.991 514 G CA 0.546 45.694 45.100 0.081 0.000 0.689 514 G HN 0.794 nan 8.290 nan 0.000 0.522 515 F N 1.298 121.098 119.950 -0.250 0.000 2.219 515 F HA 0.299 4.826 4.527 0.001 0.000 0.294 515 F C 2.330 177.955 175.800 -0.291 0.000 1.086 515 F CA 2.057 59.701 58.000 -0.592 0.000 1.330 515 F CB -0.405 38.124 39.000 -0.784 0.000 1.047 515 F HN 0.098 nan 8.300 nan 0.000 0.495 516 G N 1.154 109.901 108.800 -0.087 0.000 2.446 516 G HA2 -0.306 3.654 3.960 0.001 0.000 0.217 516 G HA3 -0.306 3.654 3.960 0.001 0.000 0.217 516 G C 1.575 176.379 174.900 -0.159 0.000 1.168 516 G CA 1.218 46.254 45.100 -0.107 0.000 0.771 516 G HN 0.404 nan 8.290 nan 0.000 0.551 517 L N 1.937 123.115 121.223 -0.076 0.000 1.988 517 L HA 0.059 4.399 4.340 0.001 0.000 0.207 517 L C 0.187 176.986 176.870 -0.118 0.000 1.071 517 L CA 1.972 56.787 54.840 -0.042 0.000 0.744 517 L CB -0.886 41.165 42.059 -0.014 0.000 0.893 517 L HN 0.132 nan 8.230 nan 0.000 0.433 518 P HA -0.123 nan 4.420 nan 0.000 0.220 518 P C 1.346 178.469 177.300 -0.295 0.000 1.148 518 P CA 1.840 64.838 63.100 -0.170 0.000 0.803 518 P CB -0.173 31.474 31.700 -0.090 0.000 0.782 519 A N 0.828 123.337 122.820 -0.519 0.000 1.902 519 A HA -0.051 4.269 4.320 0.001 0.000 0.217 519 A C 2.499 179.901 177.584 -0.303 0.000 1.181 519 A CA 2.090 53.753 52.037 -0.622 0.000 0.623 519 A CB -1.549 16.708 19.000 -1.239 0.000 0.818 519 A HN 0.216 nan 8.150 nan 0.000 0.443 520 A N 0.086 122.777 122.820 -0.215 0.000 1.940 520 A HA -0.131 4.189 4.320 0.001 0.000 0.219 520 A C 2.111 179.674 177.584 -0.034 0.000 1.176 520 A CA 1.571 53.556 52.037 -0.087 0.000 0.631 520 A CB -0.649 18.329 19.000 -0.038 0.000 0.814 520 A HN 0.523 nan 8.150 nan 0.000 0.446 521 I N -0.439 120.105 120.570 -0.043 0.000 2.127 521 I HA -0.260 3.910 4.170 0.001 0.000 0.241 521 I C 2.766 178.941 176.117 0.095 0.000 1.075 521 I CA 1.385 62.702 61.300 0.028 0.000 1.334 521 I CB -0.839 37.171 38.000 0.015 0.000 1.040 521 I HN 0.411 nan 8.210 nan 0.000 0.405 522 G N 0.342 109.144 108.800 0.003 0.000 2.440 522 G HA2 -0.253 3.707 3.960 0.001 0.000 0.218 522 G HA3 -0.253 3.707 3.960 0.001 0.000 0.218 522 G C 1.854 176.886 174.900 0.220 0.000 1.154 522 G CA 0.882 46.076 45.100 0.157 0.000 0.767 522 G HN 0.514 nan 8.290 nan 0.000 0.552 523 A N 0.412 123.267 122.820 0.060 0.000 1.908 523 A HA -0.032 4.288 4.320 0.001 0.000 0.218 523 A C 2.635 180.250 177.584 0.052 0.000 1.181 523 A CA 2.364 54.416 52.037 0.025 0.000 0.627 523 A CB -0.760 18.233 19.000 -0.012 0.000 0.818 523 A HN 0.406 nan 8.150 nan 0.000 0.445 524 S N -0.934 114.813 115.700 0.078 0.000 2.387 524 S HA -0.082 4.388 4.470 0.001 0.000 0.226 524 S C 1.861 176.529 174.600 0.114 0.000 1.026 524 S CA 1.357 59.608 58.200 0.084 0.000 0.972 524 S CB -0.362 62.887 63.200 0.082 0.000 0.814 524 S HN 0.293 nan 8.310 nan 0.000 0.477 525 V N 1.814 121.842 119.914 0.189 0.000 2.379 525 V HA -0.044 4.076 4.120 0.001 0.000 0.245 525 V C 2.732 178.951 176.094 0.208 0.000 1.044 525 V CA 1.630 64.069 62.300 0.232 0.000 1.036 525 V CB -1.097 30.935 31.823 0.348 0.000 0.664 525 V HN 0.567 nan 8.190 nan 0.000 0.453 526 A N -0.164 122.738 122.820 0.138 0.000 2.014 526 A HA -0.057 4.264 4.320 0.001 0.000 0.218 526 A C 1.203 178.750 177.584 -0.061 0.000 1.163 526 A CA 1.115 53.069 52.037 -0.138 0.000 0.652 526 A CB -0.228 18.453 19.000 -0.531 0.000 0.808 526 A HN 0.608 nan 8.150 nan 0.000 0.449 527 N N -0.142 118.557 118.700 -0.002 0.000 2.765 527 N HA 0.167 4.907 4.740 0.001 0.000 0.277 527 N C -2.485 173.045 175.510 0.035 0.000 1.750 527 N CA -0.963 52.092 53.050 0.010 0.000 0.827 527 N CB 1.174 39.665 38.487 0.006 0.000 1.200 527 N HN 0.215 nan 8.380 nan 0.000 0.494 528 P HA -0.051 nan 4.420 nan 0.000 0.225 528 P C 0.155 177.480 177.300 0.042 0.000 1.148 528 P CA 1.169 64.298 63.100 0.048 0.000 0.779 528 P CB 0.499 32.228 31.700 0.048 0.000 0.780 529 D N -0.911 119.511 120.400 0.036 0.000 2.395 529 D HA 0.230 4.871 4.640 0.001 0.000 0.213 529 D C 0.740 177.062 176.300 0.037 0.000 1.110 529 D CA -0.010 54.011 54.000 0.034 0.000 0.835 529 D CB 0.558 41.376 40.800 0.030 0.000 0.965 529 D HN 0.115 nan 8.370 nan 0.000 0.505 530 A N 0.520 123.364 122.820 0.040 0.000 2.295 530 A HA 0.563 4.883 4.320 0.001 0.000 0.318 530 A C 0.119 177.732 177.584 0.048 0.000 1.134 530 A CA -0.538 51.526 52.037 0.045 0.000 0.827 530 A CB 0.769 19.797 19.000 0.046 0.000 1.136 530 A HN 0.062 nan 8.150 nan 0.000 0.493 531 I N 1.590 122.192 120.570 0.053 0.000 2.452 531 I HA 0.188 4.359 4.170 0.001 0.000 0.287 531 I C -0.590 175.560 176.117 0.055 0.000 1.079 531 I CA 0.223 61.556 61.300 0.054 0.000 1.387 531 I CB 0.814 38.849 38.000 0.060 0.000 1.404 531 I HN 0.213 nan 8.210 nan 0.000 0.522 532 V N 7.897 127.841 119.914 0.049 0.000 2.378 532 V HA 0.371 4.491 4.120 0.001 0.000 0.288 532 V C -0.143 175.977 176.094 0.043 0.000 1.016 532 V CA -0.599 61.727 62.300 0.043 0.000 0.840 532 V CB 1.757 33.605 31.823 0.041 0.000 0.994 532 V HN 0.388 nan 8.190 nan 0.000 0.431 533 V N 3.480 123.415 119.914 0.035 0.000 2.444 533 V HA 0.394 4.514 4.120 0.001 0.000 0.294 533 V C -0.469 175.649 176.094 0.040 0.000 1.022 533 V CA -0.666 61.658 62.300 0.040 0.000 0.850 533 V CB 2.048 33.892 31.823 0.036 0.000 0.992 533 V HN 0.916 nan 8.190 nan 0.000 0.426 534 D N 4.824 125.254 120.400 0.049 0.000 2.411 534 D HA 0.302 4.942 4.640 0.001 0.000 0.225 534 D C -0.114 176.233 176.300 0.078 0.000 1.156 534 D CA -0.129 53.906 54.000 0.059 0.000 0.874 534 D CB 0.551 41.390 40.800 0.065 0.000 1.034 534 D HN 0.477 nan 8.370 nan 0.000 0.502 535 I N 3.796 124.438 120.570 0.121 0.000 2.347 535 I HA 0.176 4.346 4.170 0.001 0.000 0.294 535 I C 0.345 176.601 176.117 0.232 0.000 1.090 535 I CA -0.126 61.277 61.300 0.171 0.000 1.314 535 I CB 0.474 38.620 38.000 0.244 0.000 1.423 535 I HN 0.311 nan 8.210 nan 0.000 0.503 536 D N 4.344 124.778 120.400 0.056 0.000 2.419 536 D HA 0.589 5.229 4.640 0.001 0.000 0.234 536 D C -0.217 175.743 176.300 -0.567 0.000 1.014 536 D CA -0.236 53.684 54.000 -0.132 0.000 0.919 536 D CB 2.513 43.322 40.800 0.015 0.000 1.366 536 D HN 0.499 nan 8.370 nan 0.000 0.490 537 G N -0.194 108.023 108.800 -0.971 0.000 2.434 537 G HA2 0.274 4.235 3.960 0.001 0.000 0.330 537 G HA3 0.274 4.235 3.960 0.001 0.000 0.330 537 G C 0.745 175.555 174.900 -0.149 0.000 1.155 537 G CA -0.460 44.290 45.100 -0.584 0.000 0.917 537 G HN 0.528 nan 8.290 nan 0.000 0.493 538 D N 0.121 120.494 120.400 -0.044 0.000 2.224 538 D HA -0.069 4.571 4.640 0.001 0.000 0.205 538 D C 2.014 178.345 176.300 0.052 0.000 0.965 538 D CA 1.116 55.134 54.000 0.030 0.000 0.852 538 D CB -0.498 40.315 40.800 0.022 0.000 0.947 538 D HN 0.470 nan 8.370 nan 0.000 0.494 539 G N 0.644 109.466 108.800 0.037 0.000 2.404 539 G HA2 -0.211 3.749 3.960 0.001 0.000 0.215 539 G HA3 -0.211 3.749 3.960 0.001 0.000 0.215 539 G C 1.850 176.767 174.900 0.030 0.000 1.174 539 G CA 0.993 46.112 45.100 0.032 0.000 0.780 539 G HN 0.338 nan 8.290 nan 0.000 0.537 540 S N 0.482 116.215 115.700 0.055 0.000 2.355 540 S HA -0.079 4.391 4.470 0.001 0.000 0.222 540 S C 1.915 176.542 174.600 0.045 0.000 1.031 540 S CA 1.077 59.316 58.200 0.065 0.000 0.993 540 S CB -0.441 62.835 63.200 0.127 0.000 0.859 540 S HN 0.369 nan 8.310 nan 0.000 0.453 541 F N 2.109 122.004 119.950 -0.091 0.000 2.091 541 F HA -0.107 4.421 4.527 0.000 0.000 0.299 541 F C 1.964 177.666 175.800 -0.164 0.000 1.103 541 F CA 1.198 59.128 58.000 -0.115 0.000 1.228 541 F CB -0.400 38.528 39.000 -0.121 0.000 0.984 541 F HN 0.137 nan 8.300 nan 0.000 0.477 542 I N -0.313 120.131 120.570 -0.210 0.000 2.493 542 I HA -0.313 3.857 4.170 0.001 0.000 0.254 542 I C 2.192 178.094 176.117 -0.358 0.000 1.160 542 I CA 1.002 62.063 61.300 -0.398 0.000 1.445 542 I CB -0.142 37.724 38.000 -0.224 0.000 1.086 542 I HN 0.257 nan 8.210 nan 0.000 0.433 543 M N -0.112 119.351 119.600 -0.228 0.000 2.159 543 M HA -0.188 4.293 4.480 0.001 0.000 0.263 543 M C 0.518 176.683 176.300 -0.225 0.000 1.063 543 M CA 1.459 56.654 55.300 -0.175 0.000 1.110 543 M CB -0.193 32.353 32.600 -0.090 0.000 1.374 543 M HN 0.201 nan 8.290 nan 0.000 0.411 544 N N -0.152 118.385 118.700 -0.272 0.000 2.541 544 N HA 0.111 4.851 4.740 0.001 0.000 0.297 544 N C 0.640 175.918 175.510 -0.386 0.000 1.503 544 N CA 0.061 52.947 53.050 -0.273 0.000 0.919 544 N CB 1.113 39.497 38.487 -0.172 0.000 1.305 544 N HN 0.045 nan 8.380 nan 0.000 0.501 545 V N 1.494 121.084 119.914 -0.539 0.000 2.594 545 V HA -0.212 3.908 4.120 0.001 0.000 0.253 545 V C 2.560 178.410 176.094 -0.406 0.000 1.069 545 V CA 1.822 63.681 62.300 -0.735 0.000 1.082 545 V CB -0.088 31.132 31.823 -1.005 0.000 0.680 545 V HN 0.454 nan 8.190 nan 0.000 0.469 546 Q N -0.407 119.239 119.800 -0.258 0.000 2.297 546 Q HA -0.242 4.098 4.340 0.001 0.000 0.208 546 Q C 1.491 177.444 176.000 -0.078 0.000 0.981 546 Q CA 1.830 57.562 55.803 -0.119 0.000 0.876 546 Q CB -0.625 28.079 28.738 -0.057 0.000 0.921 546 Q HN 0.619 nan 8.270 nan 0.000 0.446 547 E N 0.952 121.085 120.200 -0.113 0.000 2.478 547 E HA 0.041 4.391 4.350 0.001 0.000 0.198 547 E C 2.096 178.679 176.600 -0.029 0.000 1.046 547 E CA 0.173 56.540 56.400 -0.055 0.000 0.870 547 E CB -0.221 29.437 29.700 -0.069 0.000 0.818 547 E HN 0.453 nan 8.360 nan 0.000 0.527 548 L N 0.247 121.441 121.223 -0.049 0.000 2.083 548 L HA -0.162 4.179 4.340 0.001 0.000 0.209 548 L C 2.422 179.312 176.870 0.033 0.000 1.083 548 L CA 1.073 55.921 54.840 0.012 0.000 0.752 548 L CB -0.542 41.535 42.059 0.030 0.000 0.899 548 L HN 0.081 nan 8.230 nan 0.000 0.433 549 A N -0.108 122.728 122.820 0.026 0.000 1.908 549 A HA -0.230 4.091 4.320 0.001 0.000 0.218 549 A C 2.368 179.980 177.584 0.047 0.000 1.181 549 A CA 2.488 54.548 52.037 0.039 0.000 0.627 549 A CB -0.950 18.074 19.000 0.040 0.000 0.818 549 A HN 0.404 nan 8.150 nan 0.000 0.445 550 T N 0.405 114.990 114.554 0.051 0.000 2.674 550 T HA -0.134 4.216 4.350 0.001 0.000 0.265 550 T C 1.813 176.554 174.700 0.067 0.000 1.039 550 T CA 1.571 63.712 62.100 0.067 0.000 1.150 550 T CB -0.493 68.424 68.868 0.080 0.000 0.864 550 T HN 0.420 nan 8.240 nan 0.000 0.427 551 I N 0.892 121.499 120.570 0.061 0.000 2.145 551 I HA -0.262 3.908 4.170 0.001 0.000 0.244 551 I C 2.823 178.977 176.117 0.061 0.000 1.075 551 I CA 1.345 62.684 61.300 0.066 0.000 1.332 551 I CB -0.310 37.730 38.000 0.067 0.000 1.033 551 I HN 0.073 nan 8.210 nan 0.000 0.410 552 R N 1.080 121.613 120.500 0.055 0.000 2.070 552 R HA -0.107 4.234 4.340 0.001 0.000 0.233 552 R C 2.090 178.417 176.300 0.044 0.000 1.137 552 R CA 1.879 58.008 56.100 0.048 0.000 0.945 552 R CB -1.162 29.163 30.300 0.042 0.000 0.845 552 R HN 0.189 nan 8.270 nan 0.000 0.430 553 V N 1.631 121.571 119.914 0.043 0.000 2.407 553 V HA -0.151 3.970 4.120 0.001 0.000 0.248 553 V C 1.713 177.831 176.094 0.039 0.000 1.055 553 V CA 2.030 64.352 62.300 0.038 0.000 1.049 553 V CB -0.472 31.372 31.823 0.036 0.000 0.662 553 V HN 0.353 nan 8.190 nan 0.000 0.455 554 E N -0.450 119.780 120.200 0.050 0.000 2.502 554 E HA 0.010 4.360 4.350 0.001 0.000 0.194 554 E C 0.413 177.044 176.600 0.052 0.000 1.062 554 E CA -0.151 56.281 56.400 0.053 0.000 0.867 554 E CB -0.411 29.332 29.700 0.072 0.000 0.888 554 E HN 0.580 nan 8.360 nan 0.000 0.510 555 N N 0.920 119.649 118.700 0.050 0.000 2.705 555 N HA -0.206 4.534 4.740 0.001 0.000 0.255 555 N C -0.740 174.804 175.510 0.057 0.000 1.008 555 N CA 0.634 53.713 53.050 0.049 0.000 0.742 555 N CB -1.307 37.205 38.487 0.041 0.000 0.906 555 N HN 0.237 nan 8.380 nan 0.000 0.541 556 L N 1.013 122.275 121.223 0.065 0.000 2.289 556 L HA 0.346 4.687 4.340 0.001 0.000 0.285 556 L C -1.401 175.512 176.870 0.072 0.000 1.049 556 L CA -1.634 53.249 54.840 0.071 0.000 0.804 556 L CB 1.170 43.278 42.059 0.082 0.000 1.195 556 L HN -0.119 nan 8.230 nan 0.000 0.428 557 P HA 0.054 nan 4.420 nan 0.000 0.228 557 P C -0.191 177.155 177.300 0.076 0.000 1.748 557 P CA -0.060 63.084 63.100 0.072 0.000 0.909 557 P CB -0.039 31.698 31.700 0.062 0.000 1.882 558 V N 2.729 122.692 119.914 0.081 0.000 2.470 558 V HA 0.062 4.182 4.120 0.001 0.000 0.276 558 V C 0.952 177.105 176.094 0.098 0.000 1.040 558 V CA 0.114 62.462 62.300 0.079 0.000 1.008 558 V CB 0.312 32.179 31.823 0.074 0.000 0.990 558 V HN 0.160 nan 8.190 nan 0.000 0.477 559 K N 4.504 124.957 120.400 0.090 0.000 2.156 559 K HA 0.538 4.858 4.320 0.001 0.000 0.271 559 K C -0.778 175.875 176.600 0.088 0.000 0.995 559 K CA -0.527 55.824 56.287 0.106 0.000 0.890 559 K CB 1.985 34.531 32.500 0.076 0.000 1.073 559 K HN 0.388 nan 8.250 nan 0.000 0.454 560 V N 3.933 123.902 119.914 0.091 0.000 2.326 560 V HA 0.203 4.323 4.120 0.001 0.000 0.281 560 V C -0.323 175.770 176.094 -0.001 0.000 1.015 560 V CA -0.950 61.367 62.300 0.028 0.000 0.823 560 V CB 1.156 32.963 31.823 -0.026 0.000 1.009 560 V HN 0.543 nan 8.190 nan 0.000 0.436 561 L N 6.514 127.741 121.223 0.007 0.000 2.328 561 L HA 0.492 4.833 4.340 0.001 0.000 0.280 561 L C -0.414 176.431 176.870 -0.041 0.000 1.111 561 L CA -0.139 54.703 54.840 0.004 0.000 0.909 561 L CB 0.799 42.883 42.059 0.042 0.000 1.277 561 L HN 0.648 nan 8.230 nan 0.000 0.433 562 L N 5.951 127.105 121.223 -0.113 0.000 2.268 562 L HA 0.380 4.721 4.340 0.001 0.000 0.289 562 L C -0.755 176.064 176.870 -0.085 0.000 1.064 562 L CA 0.048 54.778 54.840 -0.184 0.000 0.824 562 L CB 0.532 42.373 42.059 -0.363 0.000 1.202 562 L HN 0.452 nan 8.230 nan 0.000 0.433 563 L N 5.493 126.691 121.223 -0.042 0.000 2.295 563 L HA 0.322 4.662 4.340 0.001 0.000 0.288 563 L C 0.138 177.032 176.870 0.039 0.000 1.079 563 L CA -0.151 54.712 54.840 0.039 0.000 0.830 563 L CB 0.037 42.185 42.059 0.148 0.000 1.200 563 L HN 0.612 nan 8.230 nan 0.000 0.438 564 N N 3.446 122.175 118.700 0.048 0.000 2.546 564 N HA 0.094 4.835 4.740 0.001 0.000 0.238 564 N C 0.214 175.802 175.510 0.129 0.000 0.984 564 N CA -0.354 52.732 53.050 0.059 0.000 0.935 564 N CB 0.803 39.305 38.487 0.026 0.000 1.122 564 N HN 0.543 nan 8.380 nan 0.000 0.510 565 N N 2.517 121.327 118.700 0.183 0.000 2.187 565 N HA 0.021 4.762 4.740 0.001 0.000 0.212 565 N C -0.200 175.525 175.510 0.359 0.000 1.152 565 N CA 0.032 53.253 53.050 0.285 0.000 0.872 565 N CB 0.230 38.920 38.487 0.339 0.000 1.025 565 N HN 0.337 nan 8.380 nan 0.000 0.514 566 Q N -1.247 118.671 119.800 0.198 0.000 2.284 566 Q HA -0.232 4.108 4.340 0.001 0.000 0.205 566 Q C -0.879 175.042 176.000 -0.132 0.000 0.682 566 Q CA 1.553 57.382 55.803 0.043 0.000 1.401 566 Q CB -2.197 26.608 28.738 0.110 0.000 1.643 566 Q HN 0.751 nan 8.270 nan 0.000 0.717 567 H N -1.378 117.755 119.070 0.105 0.000 2.894 567 H HA 0.550 5.106 4.556 0.000 0.000 0.368 567 H C 0.146 175.543 175.328 0.115 0.000 1.181 567 H CA -0.855 55.271 56.048 0.130 0.000 1.146 567 H CB 0.887 30.770 29.762 0.202 0.000 1.839 567 H HN -0.043 nan 8.280 nan 0.000 0.557 568 L N 2.405 123.770 121.223 0.236 0.000 2.415 568 L HA 0.135 4.475 4.340 0.001 0.000 0.269 568 L C 1.521 178.516 176.870 0.208 0.000 1.244 568 L CA -0.104 54.843 54.840 0.178 0.000 1.113 568 L CB -0.190 41.946 42.059 0.128 0.000 1.352 568 L HN 0.957 nan 8.230 nan 0.000 0.433 569 G N 2.083 111.012 108.800 0.215 0.000 2.476 569 G HA2 -0.348 3.612 3.960 0.001 0.000 0.218 569 G HA3 -0.348 3.612 3.960 0.001 0.000 0.218 569 G C 1.405 176.389 174.900 0.140 0.000 1.164 569 G CA 0.689 45.912 45.100 0.205 0.000 0.768 569 G HN 0.522 nan 8.290 nan 0.000 0.560 570 M N 0.523 120.175 119.600 0.087 0.000 2.086 570 M HA -0.015 4.465 4.480 0.001 0.000 0.261 570 M C 2.559 178.943 176.300 0.140 0.000 1.067 570 M CA 1.258 56.601 55.300 0.072 0.000 1.116 570 M CB -0.448 32.151 32.600 -0.003 0.000 1.348 570 M HN 0.046 nan 8.290 nan 0.000 0.407 571 V N 0.099 120.073 119.914 0.099 0.000 2.358 571 V HA -0.291 3.829 4.120 0.001 0.000 0.246 571 V C 2.556 178.783 176.094 0.221 0.000 1.047 571 V CA 2.026 64.397 62.300 0.118 0.000 1.035 571 V CB -0.993 30.875 31.823 0.075 0.000 0.658 571 V HN 0.647 nan 8.190 nan 0.000 0.452 572 M N -0.022 119.703 119.600 0.209 0.000 2.108 572 M HA -0.283 4.197 4.480 0.001 0.000 0.261 572 M C 2.342 178.772 176.300 0.215 0.000 1.066 572 M CA 2.242 57.674 55.300 0.219 0.000 1.107 572 M CB -0.287 32.442 32.600 0.215 0.000 1.356 572 M HN 0.479 nan 8.290 nan 0.000 0.406 573 Q N -0.573 119.326 119.800 0.166 0.000 2.050 573 Q HA -0.230 4.110 4.340 0.001 0.000 0.202 573 Q C 1.672 177.711 176.000 0.065 0.000 0.980 573 Q CA 2.314 58.077 55.803 -0.067 0.000 0.840 573 Q CB -0.313 28.304 28.738 -0.203 0.000 0.898 573 Q HN 0.673 nan 8.270 nan 0.000 0.424 574 W N 1.215 122.564 121.300 0.082 0.000 2.425 574 W HA -0.072 4.588 4.660 0.000 0.000 0.277 574 W C 1.937 178.679 176.519 0.373 0.000 1.231 574 W CA 1.100 58.625 57.345 0.300 0.000 1.248 574 W CB -0.082 29.612 29.460 0.389 0.000 1.117 574 W HN 0.326 nan 8.180 nan 0.000 0.568 575 E N -0.200 120.299 120.200 0.498 0.000 2.110 575 E HA -0.193 4.157 4.350 0.001 0.000 0.193 575 E C 1.583 178.349 176.600 0.276 0.000 0.988 575 E CA 1.436 58.096 56.400 0.433 0.000 0.804 575 E CB -0.188 29.676 29.700 0.272 0.000 0.745 575 E HN 0.179 nan 8.360 nan 0.000 0.458 576 D N 0.048 120.558 120.400 0.183 0.000 2.117 576 D HA -0.089 4.552 4.640 0.001 0.000 0.198 576 D C 1.970 178.249 176.300 -0.036 0.000 0.982 576 D CA 0.795 54.867 54.000 0.121 0.000 0.828 576 D CB -0.002 40.958 40.800 0.267 0.000 0.967 576 D HN 0.034 nan 8.370 nan 0.000 0.464 577 R N -0.449 119.896 120.500 -0.257 0.000 2.093 577 R HA 0.057 4.398 4.340 0.001 0.000 0.224 577 R C 1.688 177.471 176.300 -0.862 0.000 1.101 577 R CA 0.616 56.272 56.100 -0.739 0.000 0.979 577 R CB -0.269 29.182 30.300 -1.415 0.000 0.877 577 R HN 0.320 nan 8.270 nan 0.000 0.441 578 F N -2.638 117.229 119.950 -0.138 0.000 2.784 578 F HA 0.217 4.744 4.527 0.000 0.000 0.323 578 F C 0.444 175.900 175.800 -0.573 0.000 1.085 578 F CA -0.263 57.508 58.000 -0.383 0.000 1.196 578 F CB 0.534 39.221 39.000 -0.522 0.000 1.053 578 F HN -0.128 nan 8.300 nan 0.000 0.578 579 Y N 0.067 120.472 120.300 0.175 0.000 2.721 579 Y HA 0.298 4.848 4.550 0.000 0.000 0.251 579 Y C 0.176 176.124 175.900 0.080 0.000 1.136 579 Y CA -1.356 56.825 58.100 0.134 0.000 1.142 579 Y CB -0.023 38.528 38.460 0.152 0.000 1.212 579 Y HN -0.129 nan 8.280 nan 0.000 0.565 580 K N 0.528 121.005 120.400 0.129 0.000 3.071 580 K HA -0.235 4.085 4.320 0.001 0.000 0.265 580 K C 0.790 177.446 176.600 0.092 0.000 1.060 580 K CA 0.555 56.891 56.287 0.082 0.000 0.767 580 K CB -1.614 30.929 32.500 0.072 0.000 1.241 580 K HN 0.618 nan 8.250 nan 0.000 0.486 581 A N -0.820 122.069 122.820 0.116 0.000 2.847 581 A HA -0.297 4.024 4.320 0.001 0.000 0.263 581 A C 0.169 177.816 177.584 0.105 0.000 1.391 581 A CA 1.314 53.418 52.037 0.112 0.000 0.866 581 A CB -1.695 17.349 19.000 0.073 0.000 1.057 581 A HN 0.678 nan 8.150 nan 0.000 0.673 582 N N 0.836 119.610 118.700 0.122 0.000 2.399 582 N HA 0.244 4.984 4.740 0.001 0.000 0.259 582 N C 0.216 175.754 175.510 0.047 0.000 1.160 582 N CA -0.205 52.892 53.050 0.078 0.000 0.946 582 N CB 0.277 38.815 38.487 0.085 0.000 1.156 582 N HN 0.308 nan 8.380 nan 0.000 0.489 583 R N 2.745 123.261 120.500 0.028 0.000 2.343 583 R HA 0.166 4.507 4.340 0.001 0.000 0.326 583 R C -0.504 175.731 176.300 -0.109 0.000 1.055 583 R CA -0.137 55.971 56.100 0.014 0.000 0.961 583 R CB 0.212 30.540 30.300 0.047 0.000 0.978 583 R HN 0.541 nan 8.270 nan 0.000 0.443 584 A N 4.965 127.690 122.820 -0.158 0.000 2.937 584 A HA 0.259 4.580 4.320 0.001 0.000 0.338 584 A C -0.219 177.122 177.584 -0.405 0.000 1.273 584 A CA -0.607 51.161 52.037 -0.448 0.000 0.937 584 A CB -0.248 18.584 19.000 -0.280 0.000 1.133 584 A HN 0.894 nan 8.150 nan 0.000 0.491 585 H N 0.730 119.844 119.070 0.073 0.000 2.886 585 H HA -0.166 4.390 4.556 0.000 0.000 0.294 585 H C 0.909 176.292 175.328 0.093 0.000 1.246 585 H CA 1.265 57.359 56.048 0.076 0.000 1.142 585 H CB -2.366 27.421 29.762 0.043 0.000 1.358 585 H HN 0.835 nan 8.280 nan 0.000 0.406 586 T N -3.693 110.970 114.554 0.182 0.000 3.040 586 T HA 0.158 4.508 4.350 0.001 0.000 0.250 586 T C 0.438 175.271 174.700 0.222 0.000 1.058 586 T CA -0.245 61.980 62.100 0.208 0.000 0.988 586 T CB 0.210 69.219 68.868 0.235 0.000 0.993 586 T HN 0.207 nan 8.240 nan 0.000 0.519 587 F N 2.440 122.387 119.950 -0.004 0.000 2.424 587 F HA 0.525 5.052 4.527 0.001 0.000 0.356 587 F C 0.526 176.236 175.800 -0.151 0.000 1.110 587 F CA -1.936 55.895 58.000 -0.282 0.000 1.161 587 F CB 0.696 39.549 39.000 -0.244 0.000 1.115 587 F HN -0.080 nan 8.300 nan 0.000 0.507 588 L N 5.776 126.524 121.223 -0.791 0.000 2.640 588 L HA 0.297 4.637 4.340 0.001 0.000 0.230 588 L C 1.431 177.936 176.870 -0.609 0.000 1.123 588 L CA 0.071 54.608 54.840 -0.505 0.000 0.900 588 L CB -0.619 41.303 42.059 -0.229 0.000 1.146 588 L HN 0.782 nan 8.230 nan 0.000 0.484 589 G N -0.915 107.013 108.800 -1.454 0.000 2.509 589 G HA2 0.077 4.038 3.960 0.001 0.000 0.269 589 G HA3 0.077 4.038 3.960 0.001 0.000 0.269 589 G C -1.084 173.576 174.900 -0.401 0.000 1.416 589 G CA -0.237 44.420 45.100 -0.738 0.000 1.052 589 G HN -0.018 nan 8.290 nan 0.000 0.542 590 D N -0.709 119.604 120.400 -0.145 0.000 2.392 590 D HA 0.379 5.019 4.640 0.001 0.000 0.228 590 D C -1.534 174.830 176.300 0.106 0.000 1.074 590 D CA -2.160 51.706 54.000 -0.223 0.000 0.838 590 D CB 1.848 42.259 40.800 -0.648 0.000 1.067 590 D HN -0.132 nan 8.370 nan 0.000 0.511 591 P HA -0.090 nan 4.420 nan 0.000 0.219 591 P C 0.968 178.280 177.300 0.020 0.000 1.146 591 P CA 0.996 64.167 63.100 0.119 0.000 0.808 591 P CB 0.286 32.038 31.700 0.087 0.000 0.779 592 A N 0.303 123.113 122.820 -0.017 0.000 1.933 592 A HA -0.189 4.131 4.320 0.001 0.000 0.218 592 A C 1.485 179.054 177.584 -0.024 0.000 1.175 592 A CA 1.366 53.383 52.037 -0.033 0.000 0.628 592 A CB -0.953 18.012 19.000 -0.059 0.000 0.814 592 A HN 0.415 nan 8.150 nan 0.000 0.444 593 Q N -0.375 119.410 119.800 -0.024 0.000 2.656 593 Q HA 0.307 4.647 4.340 0.001 0.000 0.389 593 Q C 0.027 176.056 176.000 0.048 0.000 0.883 593 Q CA 0.239 56.043 55.803 0.002 0.000 1.056 593 Q CB 0.026 28.757 28.738 -0.012 0.000 1.391 593 Q HN 0.758 nan 8.270 nan 0.000 0.399 594 E N -0.142 120.090 120.200 0.053 0.000 2.396 594 E HA -0.207 4.143 4.350 0.001 0.000 0.200 594 E C 0.174 176.845 176.600 0.118 0.000 1.023 594 E CA 1.205 57.661 56.400 0.095 0.000 0.857 594 E CB 0.133 29.812 29.700 -0.035 0.000 0.775 594 E HN 0.335 nan 8.360 nan 0.000 0.525 595 D N 0.433 120.886 120.400 0.089 0.000 2.392 595 D HA 0.042 4.683 4.640 0.001 0.000 0.206 595 D C -0.004 176.360 176.300 0.106 0.000 1.046 595 D CA 0.173 54.228 54.000 0.093 0.000 0.865 595 D CB 0.225 41.062 40.800 0.062 0.000 0.969 595 D HN 0.122 nan 8.370 nan 0.000 0.509 596 E N 1.096 121.361 120.200 0.108 0.000 2.360 596 E HA 0.068 4.418 4.350 0.001 0.000 0.269 596 E C 0.488 177.183 176.600 0.157 0.000 1.022 596 E CA -0.319 56.151 56.400 0.116 0.000 0.887 596 E CB 1.485 31.249 29.700 0.107 0.000 0.990 596 E HN 0.048 nan 8.360 nan 0.000 0.426 597 I N 4.057 124.708 120.570 0.136 0.000 2.581 597 I HA 0.022 4.192 4.170 0.001 0.000 0.285 597 I C 0.129 176.347 176.117 0.168 0.000 1.129 597 I CA 0.320 61.700 61.300 0.133 0.000 1.397 597 I CB -1.154 36.897 38.000 0.086 0.000 1.399 597 I HN 0.338 nan 8.210 nan 0.000 0.537 598 F N 9.388 129.337 119.950 -0.001 0.000 2.540 598 F HA 0.623 5.151 4.527 0.001 0.000 0.317 598 F C -2.422 173.360 175.800 -0.029 0.000 1.104 598 F CA -2.165 55.824 58.000 -0.019 0.000 0.913 598 F CB 2.023 41.002 39.000 -0.034 0.000 1.170 598 F HN 0.264 nan 8.300 nan 0.000 0.450 599 P HA 0.113 nan 4.420 nan 0.000 0.277 599 P C -1.215 175.891 177.300 -0.323 0.000 1.276 599 P CA -0.431 62.064 63.100 -1.007 0.000 0.788 599 P CB 0.503 31.752 31.700 -0.752 0.000 1.114 600 N N 1.303 119.826 118.700 -0.296 0.000 2.482 600 N HA 0.062 4.803 4.740 0.001 0.000 0.242 600 N C 0.823 176.258 175.510 -0.125 0.000 1.100 600 N CA 0.051 53.009 53.050 -0.153 0.000 0.946 600 N CB -0.130 38.276 38.487 -0.135 0.000 1.227 600 N HN 0.203 nan 8.380 nan 0.000 0.508 601 M N 2.890 122.517 119.600 0.044 0.000 2.358 601 M HA -0.087 4.393 4.480 0.001 0.000 0.264 601 M C 1.529 177.917 176.300 0.145 0.000 1.064 601 M CA 0.846 56.295 55.300 0.249 0.000 1.093 601 M CB -0.565 32.118 32.600 0.137 0.000 1.401 601 M HN 0.515 nan 8.290 nan 0.000 0.440 602 L N -0.642 120.590 121.223 0.015 0.000 2.083 602 L HA -0.184 4.156 4.340 0.001 0.000 0.209 602 L C 2.284 179.140 176.870 -0.024 0.000 1.083 602 L CA 0.911 55.742 54.840 -0.015 0.000 0.752 602 L CB -0.731 41.306 42.059 -0.037 0.000 0.899 602 L HN 0.264 nan 8.230 nan 0.000 0.433 603 L N -1.543 119.628 121.223 -0.086 0.000 2.217 603 L HA -0.129 4.211 4.340 0.001 0.000 0.211 603 L C 2.448 179.247 176.870 -0.118 0.000 1.107 603 L CA 0.976 55.734 54.840 -0.138 0.000 0.783 603 L CB -0.409 41.520 42.059 -0.218 0.000 0.919 603 L HN 0.123 nan 8.230 nan 0.000 0.442 604 F N 0.221 120.172 119.950 0.001 0.000 2.102 604 F HA -0.253 4.274 4.527 0.000 0.000 0.298 604 F C 2.670 178.489 175.800 0.032 0.000 1.105 604 F CA 1.040 59.053 58.000 0.023 0.000 1.239 604 F CB -0.351 38.694 39.000 0.075 0.000 0.991 604 F HN 0.044 nan 8.300 nan 0.000 0.474 605 A N 0.019 122.977 122.820 0.229 0.000 1.902 605 A HA -0.103 4.218 4.320 0.001 0.000 0.217 605 A C 2.329 179.943 177.584 0.050 0.000 1.181 605 A CA 1.624 53.731 52.037 0.117 0.000 0.623 605 A CB -1.224 17.804 19.000 0.046 0.000 0.818 605 A HN 0.329 nan 8.150 nan 0.000 0.443 606 A N -0.025 122.807 122.820 0.021 0.000 1.902 606 A HA 0.153 4.473 4.320 0.001 0.000 0.217 606 A C 2.501 180.092 177.584 0.012 0.000 1.181 606 A CA 2.045 54.080 52.037 -0.004 0.000 0.623 606 A CB -1.073 17.912 19.000 -0.024 0.000 0.818 606 A HN 1.130 nan 8.150 nan 0.000 0.443 607 A N -1.242 121.594 122.820 0.026 0.000 1.986 607 A HA -0.204 4.116 4.320 0.001 0.000 0.220 607 A C 1.817 179.427 177.584 0.044 0.000 1.171 607 A CA 1.773 53.831 52.037 0.035 0.000 0.640 607 A CB -1.014 18.022 19.000 0.061 0.000 0.811 607 A HN 0.673 nan 8.150 nan 0.000 0.451 608 C N -0.956 118.377 119.300 0.055 0.000 2.668 608 C HA 0.532 4.992 4.460 0.001 0.000 0.301 608 C C 1.636 176.647 174.990 0.035 0.000 1.351 608 C CA -0.436 58.611 59.018 0.049 0.000 1.757 608 C CB -1.191 26.585 27.740 0.060 0.000 2.179 608 C HN 1.096 nan 8.230 nan 0.000 0.586 609 G N 1.951 110.765 108.800 0.024 0.000 2.305 609 G HA2 -0.268 3.692 3.960 0.001 0.000 0.287 609 G HA3 -0.268 3.692 3.960 0.001 0.000 0.287 609 G C -0.222 174.682 174.900 0.008 0.000 1.036 609 G CA 0.084 45.192 45.100 0.013 0.000 0.887 609 G HN 0.663 nan 8.290 nan 0.000 0.505 610 I N 1.638 122.207 120.570 -0.002 0.000 2.355 610 I HA 0.284 4.454 4.170 0.001 0.000 0.288 610 I C -1.746 174.310 176.117 -0.103 0.000 0.999 610 I CA -2.573 58.712 61.300 -0.024 0.000 1.163 610 I CB 1.852 39.855 38.000 0.006 0.000 1.316 610 I HN -0.096 nan 8.210 nan 0.000 0.454 611 P HA 0.139 nan 4.420 nan 0.000 0.264 611 P C -0.860 176.053 177.300 -0.646 0.000 1.183 611 P CA 0.039 62.970 63.100 -0.283 0.000 0.763 611 P CB 0.898 32.492 31.700 -0.177 0.000 0.807 612 A N 1.765 124.262 122.820 -0.538 0.000 2.589 612 A HA 0.753 5.073 4.320 0.001 0.000 0.296 612 A C -1.390 176.051 177.584 -0.239 0.000 1.062 612 A CA -0.362 51.372 52.037 -0.505 0.000 0.686 612 A CB 1.708 20.561 19.000 -0.244 0.000 1.282 612 A HN 0.607 nan 8.150 nan 0.000 0.404 613 A N 0.943 123.705 122.820 -0.096 0.000 2.515 613 A HA 0.901 5.221 4.320 0.001 0.000 0.296 613 A C -0.405 177.204 177.584 0.043 0.000 1.094 613 A CA -0.651 51.408 52.037 0.037 0.000 0.718 613 A CB 1.361 20.452 19.000 0.152 0.000 1.307 613 A HN 1.127 nan 8.150 nan 0.000 0.408 614 R N -0.165 120.356 120.500 0.035 0.000 2.573 614 R HA 0.735 5.075 4.340 0.001 0.000 0.272 614 R C -1.454 174.873 176.300 0.045 0.000 1.009 614 R CA -0.280 55.840 56.100 0.032 0.000 1.059 614 R CB 1.637 31.951 30.300 0.024 0.000 1.112 614 R HN 0.885 nan 8.270 nan 0.000 0.517 615 V N 2.834 122.774 119.914 0.042 0.000 2.777 615 V HA 0.367 4.488 4.120 0.001 0.000 0.306 615 V C -0.677 175.443 176.094 0.043 0.000 1.112 615 V CA -0.145 62.182 62.300 0.044 0.000 0.917 615 V CB 2.304 34.155 31.823 0.047 0.000 1.018 615 V HN 1.053 nan 8.190 nan 0.000 0.426 616 T N 4.180 118.760 114.554 0.043 0.000 3.028 616 T HA 0.307 4.658 4.350 0.001 0.000 0.250 616 T C 0.141 174.868 174.700 0.044 0.000 0.979 616 T CA -0.164 61.963 62.100 0.045 0.000 1.004 616 T CB 0.228 69.123 68.868 0.044 0.000 1.120 616 T HN 0.445 nan 8.240 nan 0.000 0.482 617 K N 2.307 122.731 120.400 0.041 0.000 2.156 617 K HA 0.412 4.733 4.320 0.001 0.000 0.271 617 K C 0.812 177.439 176.600 0.045 0.000 0.995 617 K CA -0.534 55.776 56.287 0.038 0.000 0.890 617 K CB 1.922 34.441 32.500 0.032 0.000 1.073 617 K HN 0.054 nan 8.250 nan 0.000 0.454 618 K N 2.005 122.430 120.400 0.042 0.000 2.113 618 K HA -0.204 4.116 4.320 0.001 0.000 0.208 618 K C 1.522 178.168 176.600 0.077 0.000 1.047 618 K CA 1.745 58.067 56.287 0.060 0.000 0.928 618 K CB 0.009 32.505 32.500 -0.007 0.000 0.716 618 K HN 0.629 nan 8.250 nan 0.000 0.446 619 A N 1.259 124.106 122.820 0.044 0.000 1.972 619 A HA -0.171 4.149 4.320 0.001 0.000 0.219 619 A C 1.467 179.081 177.584 0.051 0.000 1.169 619 A CA 1.905 53.969 52.037 0.045 0.000 0.635 619 A CB -0.332 18.683 19.000 0.025 0.000 0.810 619 A HN 0.387 nan 8.150 nan 0.000 0.446 620 D N -0.818 119.610 120.400 0.048 0.000 2.355 620 D HA 0.000 4.641 4.640 0.001 0.000 0.218 620 D C 1.619 177.946 176.300 0.044 0.000 1.004 620 D CA 0.267 54.292 54.000 0.042 0.000 0.880 620 D CB 0.068 40.891 40.800 0.038 0.000 0.911 620 D HN 0.348 nan 8.370 nan 0.000 0.528 621 L N 1.256 122.516 121.223 0.062 0.000 2.005 621 L HA -0.089 4.251 4.340 0.001 0.000 0.207 621 L C 2.384 179.265 176.870 0.019 0.000 1.072 621 L CA 1.575 56.446 54.840 0.053 0.000 0.744 621 L CB -0.397 41.720 42.059 0.096 0.000 0.895 621 L HN -0.159 nan 8.230 nan 0.000 0.433 622 R N -0.610 119.904 120.500 0.024 0.000 2.091 622 R HA -0.226 4.114 4.340 0.001 0.000 0.238 622 R C 2.294 178.585 176.300 -0.015 0.000 1.136 622 R CA 2.001 58.095 56.100 -0.009 0.000 0.959 622 R CB -0.336 29.967 30.300 0.005 0.000 0.856 622 R HN 0.539 nan 8.270 nan 0.000 0.437 623 E N -0.465 119.735 120.200 -0.001 0.000 2.107 623 E HA -0.144 4.206 4.350 0.001 0.000 0.191 623 E C 1.811 178.400 176.600 -0.020 0.000 0.982 623 E CA 0.889 57.284 56.400 -0.008 0.000 0.809 623 E CB -0.027 29.676 29.700 0.005 0.000 0.756 623 E HN 0.506 nan 8.360 nan 0.000 0.459 624 A N 1.158 123.974 122.820 -0.007 0.000 1.877 624 A HA -0.179 4.142 4.320 0.001 0.000 0.216 624 A C 2.109 179.658 177.584 -0.059 0.000 1.186 624 A CA 1.252 53.285 52.037 -0.006 0.000 0.620 624 A CB -0.599 18.417 19.000 0.026 0.000 0.822 624 A HN 0.263 nan 8.150 nan 0.000 0.443 625 I N -0.956 119.581 120.570 -0.055 0.000 2.315 625 I HA -0.239 3.931 4.170 0.001 0.000 0.248 625 I C 2.709 178.760 176.117 -0.110 0.000 1.117 625 I CA 1.579 62.832 61.300 -0.079 0.000 1.404 625 I CB -0.256 37.711 38.000 -0.054 0.000 1.071 625 I HN 0.382 nan 8.210 nan 0.000 0.419 626 Q N 0.875 120.622 119.800 -0.088 0.000 2.084 626 Q HA -0.165 4.175 4.340 0.001 0.000 0.202 626 Q C 2.105 178.027 176.000 -0.130 0.000 0.978 626 Q CA 2.270 58.022 55.803 -0.086 0.000 0.844 626 Q CB -0.386 28.319 28.738 -0.054 0.000 0.898 626 Q HN 0.383 nan 8.270 nan 0.000 0.426 627 T N 0.586 115.045 114.554 -0.158 0.000 2.708 627 T HA -0.188 4.162 4.350 0.001 0.000 0.266 627 T C 1.665 176.068 174.700 -0.494 0.000 1.037 627 T CA 1.516 63.484 62.100 -0.220 0.000 1.146 627 T CB -0.340 68.444 68.868 -0.139 0.000 0.865 627 T HN 0.428 nan 8.240 nan 0.000 0.435 628 M N 0.639 119.812 119.600 -0.711 0.000 2.073 628 M HA -0.117 4.363 4.480 0.001 0.000 0.258 628 M C 1.978 178.011 176.300 -0.445 0.000 1.070 628 M CA 1.809 56.503 55.300 -1.009 0.000 1.103 628 M CB -0.344 31.946 32.600 -0.517 0.000 1.321 628 M HN 0.214 nan 8.290 nan 0.000 0.405 629 L N -0.280 120.801 121.223 -0.237 0.000 2.093 629 L HA -0.206 4.134 4.340 0.001 0.000 0.208 629 L C 1.883 178.701 176.870 -0.087 0.000 1.085 629 L CA 0.990 55.763 54.840 -0.112 0.000 0.755 629 L CB -0.762 41.258 42.059 -0.065 0.000 0.904 629 L HN 0.314 nan 8.230 nan 0.000 0.435 630 D N -1.020 119.315 120.400 -0.109 0.000 2.183 630 D HA -0.040 4.600 4.640 0.001 0.000 0.205 630 D C 0.764 177.042 176.300 -0.036 0.000 0.962 630 D CA 0.606 54.570 54.000 -0.059 0.000 0.849 630 D CB -0.089 40.680 40.800 -0.052 0.000 0.978 630 D HN 0.157 nan 8.370 nan 0.000 0.488 631 T N 4.662 119.181 114.554 -0.058 0.000 2.765 631 T HA 0.115 4.465 4.350 0.001 0.000 0.284 631 T C -2.286 172.450 174.700 0.059 0.000 0.946 631 T CA -0.956 61.163 62.100 0.030 0.000 1.185 631 T CB 0.870 69.812 68.868 0.123 0.000 0.887 631 T HN 0.066 nan 8.240 nan 0.000 0.532 632 P HA 0.368 nan 4.420 nan 0.000 0.269 632 P C 0.727 178.075 177.300 0.079 0.000 1.209 632 P CA 0.380 63.513 63.100 0.056 0.000 0.776 632 P CB 0.491 32.218 31.700 0.044 0.000 0.876 633 G N 2.770 111.615 108.800 0.075 0.000 2.627 633 G HA2 -0.101 3.860 3.960 0.001 0.000 0.214 633 G HA3 -0.101 3.860 3.960 0.001 0.000 0.214 633 G C -3.044 171.923 174.900 0.111 0.000 1.331 633 G CA -0.707 44.443 45.100 0.084 0.000 0.891 633 G HN 0.579 nan 8.290 nan 0.000 0.539 634 P HA 0.470 nan 4.420 nan 0.000 0.274 634 P C -1.189 176.221 177.300 0.184 0.000 1.231 634 P CA 0.262 63.438 63.100 0.126 0.000 0.790 634 P CB 0.943 32.697 31.700 0.090 0.000 0.951 635 Y N 1.261 121.583 120.300 0.037 0.000 2.436 635 Y HA 0.426 4.976 4.550 0.001 0.000 0.327 635 Y C -1.549 174.362 175.900 0.018 0.000 1.138 635 Y CA -1.159 56.958 58.100 0.028 0.000 1.042 635 Y CB 1.670 40.142 38.460 0.021 0.000 1.302 635 Y HN 0.237 nan 8.280 nan 0.000 0.439 636 L N 6.983 128.145 121.223 -0.102 0.000 2.287 636 L HA 0.667 5.007 4.340 0.001 0.000 0.287 636 L C -2.044 174.847 176.870 0.035 0.000 1.022 636 L CA -0.673 54.152 54.840 -0.025 0.000 0.814 636 L CB 1.251 43.255 42.059 -0.091 0.000 1.217 636 L HN 0.618 nan 8.230 nan 0.000 0.420 637 L N 4.863 126.167 121.223 0.135 0.000 2.294 637 L HA 0.500 4.840 4.340 0.001 0.000 0.283 637 L C -0.940 175.934 176.870 0.007 0.000 1.015 637 L CA -0.110 54.813 54.840 0.137 0.000 0.831 637 L CB 1.142 43.307 42.059 0.177 0.000 1.217 637 L HN 0.659 nan 8.230 nan 0.000 0.420 638 D N 4.020 124.414 120.400 -0.010 0.000 2.365 638 D HA 0.245 4.885 4.640 0.001 0.000 0.237 638 D C -0.878 175.421 176.300 -0.002 0.000 1.190 638 D CA 0.026 54.002 54.000 -0.040 0.000 0.867 638 D CB 0.843 41.620 40.800 -0.038 0.000 1.050 638 D HN 0.293 nan 8.370 nan 0.000 0.491 639 V N 5.791 125.703 119.914 -0.004 0.000 2.348 639 V HA 0.223 4.344 4.120 0.001 0.000 0.270 639 V C 0.362 176.475 176.094 0.032 0.000 1.037 639 V CA -0.880 61.431 62.300 0.019 0.000 0.872 639 V CB 0.950 32.784 31.823 0.018 0.000 1.002 639 V HN 0.432 nan 8.190 nan 0.000 0.464 640 I N 4.379 124.975 120.570 0.044 0.000 2.416 640 I HA 0.315 4.485 4.170 0.001 0.000 0.288 640 I C 0.221 176.379 176.117 0.068 0.000 1.051 640 I CA 0.202 61.540 61.300 0.064 0.000 1.375 640 I CB 0.736 38.776 38.000 0.067 0.000 1.407 640 I HN 0.567 nan 8.210 nan 0.000 0.516 641 C N 7.491 126.846 119.300 0.092 0.000 2.634 641 C HA 0.501 4.962 4.460 0.001 0.000 0.313 641 C C -2.186 172.872 174.990 0.114 0.000 1.198 641 C CA -1.235 57.832 59.018 0.082 0.000 1.605 641 C CB 2.086 29.875 27.740 0.081 0.000 2.196 641 C HN 0.576 nan 8.230 nan 0.000 0.486 642 P HA 0.099 nan 4.420 nan 0.000 0.271 642 P C 0.478 177.812 177.300 0.055 0.000 1.216 642 P CA 0.463 63.578 63.100 0.027 0.000 0.771 642 P CB 0.322 31.959 31.700 -0.104 0.000 0.864 643 H N 3.452 122.562 119.070 0.067 0.000 2.502 643 H HA -0.059 4.497 4.556 0.001 0.000 0.283 643 H C 0.938 176.291 175.328 0.042 0.000 1.015 643 H CA 0.735 56.830 56.048 0.078 0.000 1.298 643 H CB -0.191 29.582 29.762 0.020 0.000 1.411 643 H HN 0.424 nan 8.280 nan 0.000 0.556 644 Q N 1.477 121.027 119.800 -0.416 0.000 2.373 644 Q HA 0.075 4.416 4.340 0.001 0.000 0.206 644 Q C -0.234 175.730 176.000 -0.060 0.000 0.942 644 Q CA 0.065 55.709 55.803 -0.265 0.000 0.953 644 Q CB 0.180 28.652 28.738 -0.443 0.000 1.022 644 Q HN 0.445 nan 8.270 nan 0.000 0.502 645 E N 1.693 121.949 120.200 0.093 0.000 2.398 645 E HA 0.115 4.465 4.350 0.001 0.000 0.263 645 E C -0.597 176.333 176.600 0.551 0.000 1.046 645 E CA 0.258 56.814 56.400 0.261 0.000 0.908 645 E CB 0.611 30.462 29.700 0.252 0.000 0.963 645 E HN 0.343 nan 8.360 nan 0.000 0.431 646 H N -0.138 119.136 119.070 0.342 0.000 2.572 646 H HA 0.280 4.836 4.556 0.000 0.000 0.359 646 H C -0.525 175.062 175.328 0.432 0.000 1.134 646 H CA -1.044 55.190 56.048 0.311 0.000 1.187 646 H CB 1.805 31.676 29.762 0.181 0.000 1.597 646 H HN 0.147 nan 8.280 nan 0.000 0.524 647 V N 5.479 125.580 119.914 0.313 0.000 2.479 647 V HA 0.064 4.185 4.120 0.001 0.000 0.281 647 V C 0.144 176.408 176.094 0.284 0.000 1.031 647 V CA 0.364 62.776 62.300 0.187 0.000 1.038 647 V CB -0.011 31.537 31.823 -0.458 0.000 0.981 647 V HN 0.421 nan 8.190 nan 0.000 0.478 648 L N 6.650 128.098 121.223 0.374 0.000 2.371 648 L HA 0.584 4.925 4.340 0.001 0.000 0.262 648 L C -2.424 174.623 176.870 0.295 0.000 1.006 648 L CA -1.917 53.115 54.840 0.321 0.000 0.818 648 L CB 2.622 44.855 42.059 0.291 0.000 1.354 648 L HN 0.409 nan 8.230 nan 0.000 0.415 649 P HA 0.305 nan 4.420 nan 0.000 0.277 649 P C -1.231 176.192 177.300 0.204 0.000 1.276 649 P CA -0.535 62.672 63.100 0.179 0.000 0.788 649 P CB 0.586 32.349 31.700 0.106 0.000 1.114 650 M N 0.449 120.107 119.600 0.095 0.000 2.238 650 M HA 0.429 4.909 4.480 0.001 0.000 0.278 650 M C -1.895 174.371 176.300 -0.057 0.000 1.040 650 M CA -0.442 54.856 55.300 -0.003 0.000 0.969 650 M CB 1.078 33.704 32.600 0.043 0.000 1.694 650 M HN 0.102 nan 8.290 nan 0.000 0.472 651 I N 6.958 127.472 120.570 -0.093 0.000 2.304 651 I HA 0.415 4.585 4.170 0.001 0.000 0.291 651 I C -2.142 173.932 176.117 -0.071 0.000 1.018 651 I CA -1.951 59.311 61.300 -0.064 0.000 1.260 651 I CB 1.249 39.233 38.000 -0.026 0.000 1.390 651 I HN 0.472 nan 8.210 nan 0.000 0.475 652 P HA 0.026 nan 4.420 nan 0.000 0.269 652 P C -0.364 176.906 177.300 -0.050 0.000 1.217 652 P CA -0.136 62.912 63.100 -0.086 0.000 0.783 652 P CB 0.461 32.119 31.700 -0.071 0.000 0.898 653 S N 1.254 116.944 115.700 -0.017 0.000 2.546 653 S HA 0.302 4.772 4.470 0.001 0.000 0.290 653 S C 1.408 176.006 174.600 -0.005 0.000 1.290 653 S CA 1.165 59.389 58.200 0.040 0.000 1.069 653 S CB -0.931 62.346 63.200 0.129 0.000 0.846 653 S HN 0.899 nan 8.310 nan 0.000 0.495 654 G N 2.775 111.574 108.800 -0.002 0.000 2.198 654 G HA2 -0.171 3.789 3.960 0.001 0.000 0.260 654 G HA3 -0.171 3.789 3.960 0.001 0.000 0.260 654 G C 0.333 175.230 174.900 -0.006 0.000 1.025 654 G CA 0.004 45.100 45.100 -0.007 0.000 0.769 654 G HN 1.056 nan 8.290 nan 0.000 0.507 655 G N -1.654 107.143 108.800 -0.005 0.000 2.613 655 G HA2 0.789 4.749 3.960 0.001 0.000 0.303 655 G HA3 0.789 4.749 3.960 0.001 0.000 0.303 655 G C 0.026 174.941 174.900 0.024 0.000 1.312 655 G CA 0.412 45.511 45.100 -0.001 0.000 1.036 655 G HN 0.558 nan 8.290 nan 0.000 0.513 656 T N -0.799 113.771 114.554 0.028 0.000 2.919 656 T HA 0.263 4.613 4.350 0.001 0.000 0.282 656 T C 0.746 175.499 174.700 0.088 0.000 1.020 656 T CA -0.352 61.787 62.100 0.064 0.000 0.994 656 T CB 1.520 70.418 68.868 0.049 0.000 1.180 656 T HN 0.324 nan 8.240 nan 0.000 0.566 657 F N 1.580 121.509 119.950 -0.036 0.000 2.216 657 F HA -0.097 4.431 4.527 0.001 0.000 0.300 657 F C 1.884 177.662 175.800 -0.036 0.000 1.085 657 F CA 1.305 59.277 58.000 -0.047 0.000 1.326 657 F CB -0.431 38.518 39.000 -0.085 0.000 1.027 657 F HN 0.352 nan 8.300 nan 0.000 0.497 658 N N 0.553 119.194 118.700 -0.098 0.000 2.289 658 N HA -0.150 4.590 4.740 0.001 0.000 0.184 658 N C 1.074 176.484 175.510 -0.166 0.000 1.016 658 N CA 1.388 54.341 53.050 -0.162 0.000 0.872 658 N CB -0.502 37.961 38.487 -0.039 0.000 0.973 658 N HN 0.400 nan 8.380 nan 0.000 0.433 659 D N 0.218 120.547 120.400 -0.118 0.000 2.349 659 D HA -0.010 4.630 4.640 0.001 0.000 0.224 659 D C 0.351 176.585 176.300 -0.109 0.000 1.029 659 D CA -0.008 53.940 54.000 -0.087 0.000 0.879 659 D CB 0.235 41.007 40.800 -0.046 0.000 0.906 659 D HN -0.050 nan 8.370 nan 0.000 0.528 660 V N 1.770 121.573 119.914 -0.185 0.000 2.617 660 V HA -0.064 4.056 4.120 0.001 0.000 0.304 660 V C 0.169 176.194 176.094 -0.114 0.000 1.040 660 V CA 0.123 62.321 62.300 -0.169 0.000 1.149 660 V CB 0.172 31.823 31.823 -0.287 0.000 0.914 660 V HN -0.034 nan 8.190 nan 0.000 0.487 661 I N 6.513 127.050 120.570 -0.056 0.000 2.315 661 I HA 0.309 4.479 4.170 0.001 0.000 0.291 661 I C 1.101 177.237 176.117 0.032 0.000 1.006 661 I CA 0.036 61.327 61.300 -0.016 0.000 1.265 661 I CB 1.623 39.613 38.000 -0.017 0.000 1.387 661 I HN 0.810 nan 8.210 nan 0.000 0.475 662 T N 0.169 114.757 114.554 0.057 0.000 3.003 662 T HA 0.283 4.633 4.350 0.001 0.000 0.261 662 T C 0.289 175.066 174.700 0.130 0.000 1.003 662 T CA -0.173 61.998 62.100 0.118 0.000 0.917 662 T CB 0.250 69.222 68.868 0.174 0.000 1.084 662 T HN 0.448 nan 8.240 nan 0.000 0.522 663 E N -0.020 120.237 120.200 0.095 0.000 2.314 663 E HA 0.635 4.985 4.350 0.001 0.000 0.272 663 E C -0.205 176.434 176.600 0.065 0.000 0.884 663 E CA 0.342 56.790 56.400 0.081 0.000 0.753 663 E CB 1.766 31.501 29.700 0.058 0.000 1.213 663 E HN 0.607 nan 8.360 nan 0.000 0.432 664 G N 2.619 111.453 108.800 0.058 0.000 2.406 664 G HA2 0.330 4.291 3.960 0.001 0.000 0.680 664 G HA3 0.330 4.291 3.960 0.001 0.000 0.680 664 G C -1.359 173.512 174.900 -0.049 0.000 1.338 664 G CA -0.187 44.917 45.100 0.008 0.000 0.941 664 G HN 0.774 nan 8.290 nan 0.000 0.633 665 D N -2.182 118.075 120.400 -0.239 0.000 3.103 665 D HA 0.618 5.258 4.640 0.001 0.000 0.337 665 D C 1.006 176.877 176.300 -0.716 0.000 1.356 665 D CA 0.459 54.056 54.000 -0.671 0.000 0.951 665 D CB 0.371 40.990 40.800 -0.302 0.000 1.438 665 D HN 1.402 nan 8.370 nan 0.000 0.562 666 G N -1.090 107.340 108.800 -0.617 0.000 3.337 666 G HA2 0.163 4.123 3.960 0.001 0.000 0.246 666 G HA3 0.163 4.123 3.960 0.001 0.000 0.246 666 G C 0.125 174.908 174.900 -0.196 0.000 1.131 666 G CA -0.396 44.539 45.100 -0.273 0.000 0.773 666 G HN 0.189 nan 8.290 nan 0.000 0.544 667 R N 0.001 120.369 120.500 -0.220 0.000 2.390 667 R HA 0.466 4.807 4.340 0.001 0.000 0.291 667 R C 0.319 176.550 176.300 -0.116 0.000 1.070 667 R CA -0.351 55.634 56.100 -0.191 0.000 1.014 667 R CB 0.568 30.726 30.300 -0.238 0.000 1.007 667 R HN 0.199 nan 8.270 nan 0.000 0.466 668 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 -0.056 0.000 1.566 668 I CB 0.000 37.975 38.000 -0.042 0.000 1.214 668 I HN 0.000 nan 8.210 nan 0.000 0.494