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 1oah_1_B DATA FIRST_RESID 38 DATA SEQUENCE TGIAETETKM SAFKGQFPQQ YASYMKNNED RIMTDYKGSV PYHKNDNVNP DATA SEQUENCE LPKGFKHAQP YLKNLWLGYP FMYEYNETRG HTYAIDDFLN IDRINRFAAD DATA SEQUENCE GKGNLPATCW NCKTPKMMEW VSQYGDKFWS MDVNEFRAKD KINAHDETIG DATA SEQUENCE CANCHDPATM ELRLYSEPLK DWLKRSGKDW QKMSRNEKRT LVCAQCHVEY DATA SEQUENCE YFTHKDNGPA AKPVFPWDNG FNPEDMYQYY KGHGAKGPDG KPGPFVDWVH DATA SEQUENCE AASKVPMIKM QHPEYETFQD GPHGAAGVSC ADCHMQYVRE DGKKISSHWM DATA SEQUENCE TSPMKDPEMR ACRQCHADKT GEYLRQRVLY TQQKTFDQLL KAQEMSVKAH DATA SEQUENCE EAVRLANAYE GHRAANYEAL MAEAREMVRK GQLFWDYVSA ENSVGFHNPA DATA SEQUENCE KALDTLMTSM ECSQKAVDLA TEATDFGIAP ALAGDIKKLV PPILTLSRKL DATA SEQUENCE QQDPEFLKQN PWTRLLPALP KAEQVWEGQD RA 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 38 T HA 0.000 nan 4.350 nan 0.000 0.228 38 T C 0.000 174.699 174.700 -0.002 0.000 1.109 38 T CA 0.000 62.123 62.100 0.038 0.000 1.349 38 T CB 0.000 68.926 68.868 0.096 0.000 0.612 39 G N 0.147 108.924 108.800 -0.039 0.000 3.126 39 G HA2 0.401 4.361 3.960 -0.000 0.000 0.224 39 G HA3 0.401 4.361 3.960 -0.000 0.000 0.224 39 G C 0.542 175.394 174.900 -0.081 0.000 1.142 39 G CA -0.463 44.606 45.100 -0.052 0.000 0.759 39 G HN 0.866 nan 8.290 nan 0.000 0.550 40 I N 2.055 122.556 120.570 -0.114 0.000 2.710 40 I HA 0.186 4.356 4.170 -0.000 0.000 0.286 40 I C 1.153 177.198 176.117 -0.119 0.000 1.181 40 I CA -0.488 60.696 61.300 -0.194 0.000 1.430 40 I CB 0.925 38.691 38.000 -0.389 0.000 1.367 40 I HN 0.089 nan 8.210 nan 0.000 0.577 41 A N 5.676 128.428 122.820 -0.113 0.000 2.520 41 A HA -0.003 4.317 4.320 -0.000 0.000 0.245 41 A C 1.449 179.012 177.584 -0.034 0.000 1.072 41 A CA -0.191 51.808 52.037 -0.064 0.000 0.761 41 A CB 0.092 19.055 19.000 -0.063 0.000 1.004 41 A HN 0.935 nan 8.150 nan 0.000 0.499 42 E N 1.513 121.705 120.200 -0.015 0.000 2.273 42 E HA -0.211 4.139 4.350 -0.000 0.000 0.198 42 E C 1.126 177.728 176.600 0.003 0.000 1.002 42 E CA 1.725 58.129 56.400 0.007 0.000 0.828 42 E CB -0.008 29.693 29.700 0.002 0.000 0.747 42 E HN 0.832 nan 8.360 nan 0.000 0.491 43 T N -1.913 112.629 114.554 -0.021 0.000 3.129 43 T HA 0.129 4.479 4.350 -0.000 0.000 0.267 43 T C 0.216 174.889 174.700 -0.045 0.000 1.018 43 T CA -0.437 61.638 62.100 -0.042 0.000 0.903 43 T CB 0.332 69.162 68.868 -0.062 0.000 1.067 43 T HN -0.052 nan 8.240 nan 0.000 0.549 44 E N 3.004 123.197 120.200 -0.011 0.000 2.558 44 E HA 0.072 4.422 4.350 -0.000 0.000 0.255 44 E C 1.244 177.863 176.600 0.031 0.000 0.968 44 E CA 0.592 56.992 56.400 0.001 0.000 0.939 44 E CB 0.781 30.469 29.700 -0.021 0.000 0.921 44 E HN 0.461 nan 8.360 nan 0.000 0.477 45 T N 0.831 115.374 114.554 -0.018 0.000 3.001 45 T HA 0.200 4.550 4.350 -0.000 0.000 0.251 45 T C 0.233 174.934 174.700 0.003 0.000 1.040 45 T CA -0.246 61.818 62.100 -0.061 0.000 0.985 45 T CB 0.154 68.927 68.868 -0.159 0.000 1.011 45 T HN 0.240 nan 8.240 nan 0.000 0.509 46 K N 1.167 121.605 120.400 0.064 0.000 2.248 46 K HA 0.428 4.748 4.320 -0.000 0.000 0.281 46 K C 0.739 177.478 176.600 0.233 0.000 1.054 46 K CA -0.383 55.964 56.287 0.101 0.000 0.903 46 K CB 1.544 34.082 32.500 0.063 0.000 1.077 46 K HN 0.049 nan 8.250 nan 0.000 0.474 47 M N 2.272 121.992 119.600 0.200 0.000 2.108 47 M HA -0.241 4.239 4.480 -0.000 0.000 0.261 47 M C 1.955 178.511 176.300 0.427 0.000 1.066 47 M CA 2.041 57.505 55.300 0.273 0.000 1.107 47 M CB -0.036 32.661 32.600 0.162 0.000 1.356 47 M HN 0.738 nan 8.290 nan 0.000 0.406 48 S N 0.197 116.072 115.700 0.291 0.000 2.440 48 S HA -0.133 4.337 4.470 -0.000 0.000 0.240 48 S C 1.903 176.542 174.600 0.063 0.000 1.014 48 S CA 1.082 59.377 58.200 0.159 0.000 0.980 48 S CB -0.984 62.279 63.200 0.105 0.000 0.775 48 S HN 0.577 nan 8.310 nan 0.000 0.499 49 A N 0.018 122.889 122.820 0.086 0.000 2.172 49 A HA 0.299 4.619 4.320 -0.000 0.000 0.216 49 A C 1.466 178.922 177.584 -0.214 0.000 1.154 49 A CA 0.613 52.585 52.037 -0.107 0.000 0.701 49 A CB -0.718 18.154 19.000 -0.213 0.000 0.789 49 A HN 0.587 nan 8.150 nan 0.000 0.465 50 F N -0.905 119.060 119.950 0.026 0.000 2.731 50 F HA 0.205 4.732 4.527 -0.000 0.000 0.298 50 F C 1.915 177.745 175.800 0.049 0.000 1.106 50 F CA 0.495 58.560 58.000 0.107 0.000 1.329 50 F CB 0.185 39.262 39.000 0.129 0.000 1.100 50 F HN 0.124 nan 8.300 nan 0.000 0.592 51 K N 0.940 121.318 120.400 -0.037 0.000 2.032 51 K HA -0.135 4.185 4.320 -0.000 0.000 0.209 51 K C 2.360 178.837 176.600 -0.205 0.000 1.048 51 K CA 1.717 57.755 56.287 -0.416 0.000 0.927 51 K CB -0.685 31.247 32.500 -0.948 0.000 0.712 51 K HN 0.324 nan 8.250 nan 0.000 0.441 52 G N 0.464 109.160 108.800 -0.173 0.000 2.422 52 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.218 52 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.218 52 G C 1.379 176.166 174.900 -0.189 0.000 1.146 52 G CA 0.785 45.790 45.100 -0.158 0.000 0.769 52 G HN 0.470 nan 8.290 nan 0.000 0.547 53 Q N -1.090 118.563 119.800 -0.245 0.000 2.354 53 Q HA 0.205 4.545 4.340 -0.000 0.000 0.203 53 Q C -0.100 175.372 176.000 -0.879 0.000 0.933 53 Q CA 0.177 55.650 55.803 -0.550 0.000 0.901 53 Q CB 0.158 28.511 28.738 -0.641 0.000 1.007 53 Q HN 0.455 nan 8.270 nan 0.000 0.495 54 F N 0.196 120.146 119.950 -0.000 0.000 2.593 54 F HA 0.330 4.857 4.527 -0.000 0.000 0.336 54 F C -1.915 173.905 175.800 0.032 0.000 1.491 54 F CA -1.771 56.237 58.000 0.013 0.000 1.114 54 F CB 1.476 40.487 39.000 0.018 0.000 1.468 54 F HN 0.023 nan 8.300 nan 0.000 0.579 55 P HA -0.195 nan 4.420 nan 0.000 0.217 55 P C 1.020 178.409 177.300 0.147 0.000 1.150 55 P CA 1.599 64.755 63.100 0.092 0.000 0.832 55 P CB 0.417 32.130 31.700 0.022 0.000 0.787 56 Q N -0.210 119.666 119.800 0.127 0.000 2.020 56 Q HA -0.161 4.178 4.340 -0.000 0.000 0.198 56 Q C 2.497 178.556 176.000 0.099 0.000 0.974 56 Q CA 1.370 57.240 55.803 0.111 0.000 0.829 56 Q CB -0.453 28.347 28.738 0.104 0.000 0.894 56 Q HN 0.233 nan 8.270 nan 0.000 0.433 57 Q N -0.360 119.474 119.800 0.057 0.000 2.119 57 Q HA -0.165 4.175 4.340 -0.000 0.000 0.201 57 Q C 1.607 177.569 176.000 -0.063 0.000 0.972 57 Q CA 1.273 56.983 55.803 -0.155 0.000 0.847 57 Q CB -0.306 28.159 28.738 -0.456 0.000 0.903 57 Q HN 0.428 nan 8.270 nan 0.000 0.433 58 Y N 0.408 120.687 120.300 -0.036 0.000 2.145 58 Y HA -0.224 4.325 4.550 -0.000 0.000 0.286 58 Y C 2.126 178.066 175.900 0.066 0.000 1.145 58 Y CA 1.516 59.631 58.100 0.025 0.000 1.148 58 Y CB -0.312 38.184 38.460 0.060 0.000 0.981 58 Y HN 0.117 nan 8.280 nan 0.000 0.507 59 A N -1.327 121.629 122.820 0.226 0.000 1.969 59 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 59 A C 2.422 180.010 177.584 0.008 0.000 1.169 59 A CA 1.758 53.862 52.037 0.112 0.000 0.635 59 A CB -1.168 17.900 19.000 0.114 0.000 0.810 59 A HN 0.488 nan 8.150 nan 0.000 0.445 60 S N -2.154 113.577 115.700 0.052 0.000 2.371 60 S HA -0.143 4.327 4.470 -0.000 0.000 0.224 60 S C 1.855 176.512 174.600 0.096 0.000 1.029 60 S CA 1.278 59.524 58.200 0.077 0.000 0.978 60 S CB -0.482 62.824 63.200 0.177 0.000 0.833 60 S HN 0.635 nan 8.310 nan 0.000 0.466 61 Y N 1.356 121.628 120.300 -0.046 0.000 2.352 61 Y HA 0.012 4.562 4.550 -0.000 0.000 0.292 61 Y C 2.065 177.855 175.900 -0.185 0.000 1.136 61 Y CA 1.317 59.377 58.100 -0.066 0.000 1.227 61 Y CB -0.188 38.184 38.460 -0.147 0.000 0.991 61 Y HN 0.244 nan 8.280 nan 0.000 0.545 62 M N -0.047 119.428 119.600 -0.208 0.000 2.374 62 M HA -0.177 4.303 4.480 -0.000 0.000 0.264 62 M C 1.659 177.795 176.300 -0.273 0.000 1.067 62 M CA 1.381 56.516 55.300 -0.276 0.000 1.103 62 M CB -0.814 31.659 32.600 -0.213 0.000 1.402 62 M HN 0.202 nan 8.290 nan 0.000 0.444 63 K N 0.013 120.221 120.400 -0.320 0.000 2.442 63 K HA -0.071 4.249 4.320 -0.000 0.000 0.198 63 K C 1.314 177.686 176.600 -0.379 0.000 1.042 63 K CA 0.481 56.447 56.287 -0.535 0.000 0.958 63 K CB -0.215 31.654 32.500 -1.051 0.000 0.766 63 K HN 0.367 nan 8.250 nan 0.000 0.474 64 N N 1.357 119.934 118.700 -0.204 0.000 2.585 64 N HA -0.092 4.648 4.740 -0.000 0.000 0.188 64 N C 0.752 176.225 175.510 -0.060 0.000 1.102 64 N CA 0.645 53.655 53.050 -0.066 0.000 0.920 64 N CB -0.061 38.237 38.487 -0.316 0.000 0.963 64 N HN 0.253 nan 8.380 nan 0.000 0.447 65 N N 1.044 119.663 118.700 -0.134 0.000 2.515 65 N HA -0.081 4.659 4.740 -0.000 0.000 0.185 65 N C 0.358 175.992 175.510 0.207 0.000 1.109 65 N CA 0.262 53.290 53.050 -0.036 0.000 0.903 65 N CB 0.169 38.573 38.487 -0.139 0.000 0.969 65 N HN 0.338 nan 8.380 nan 0.000 0.450 66 E N 2.317 122.587 120.200 0.117 0.000 2.166 66 E HA -0.042 4.308 4.350 -0.000 0.000 0.279 66 E C -0.774 175.929 176.600 0.173 0.000 1.095 66 E CA 0.079 56.556 56.400 0.128 0.000 0.888 66 E CB 0.331 30.092 29.700 0.102 0.000 1.041 66 E HN 0.181 nan 8.360 nan 0.000 0.414 67 D N 4.072 124.539 120.400 0.111 0.000 2.891 67 D HA 0.160 4.800 4.640 -0.000 0.000 0.332 67 D C 0.511 176.808 176.300 -0.005 0.000 1.369 67 D CA -0.389 53.630 54.000 0.030 0.000 0.827 67 D CB 0.105 40.845 40.800 -0.100 0.000 1.141 67 D HN 0.353 nan 8.370 nan 0.000 0.464 68 R N -0.375 120.138 120.500 0.022 0.000 2.435 68 R HA 0.276 4.616 4.340 -0.000 0.000 0.221 68 R C 0.219 176.517 176.300 -0.004 0.000 0.885 68 R CA -0.199 55.903 56.100 0.002 0.000 1.018 68 R CB 1.079 31.386 30.300 0.013 0.000 1.259 68 R HN 0.115 nan 8.270 nan 0.000 0.597 69 I N 1.982 122.561 120.570 0.016 0.000 2.353 69 I HA 0.277 4.447 4.170 -0.000 0.000 0.293 69 I C 0.102 176.195 176.117 -0.039 0.000 0.992 69 I CA -0.246 61.057 61.300 0.004 0.000 1.268 69 I CB 1.205 39.234 38.000 0.048 0.000 1.387 69 I HN -0.031 nan 8.210 nan 0.000 0.478 70 M N 5.141 124.697 119.600 -0.073 0.000 2.537 70 M HA 0.405 4.885 4.480 -0.000 0.000 0.324 70 M C 0.529 176.791 176.300 -0.064 0.000 1.187 70 M CA -0.428 54.792 55.300 -0.135 0.000 0.993 70 M CB 1.986 34.426 32.600 -0.268 0.000 1.666 70 M HN 0.746 nan 8.290 nan 0.000 0.461 71 T N -2.975 111.552 114.554 -0.045 0.000 2.855 71 T HA 0.370 4.719 4.350 -0.000 0.000 0.275 71 T C 0.753 175.485 174.700 0.053 0.000 1.022 71 T CA -0.592 61.508 62.100 0.000 0.000 0.977 71 T CB 0.837 69.705 68.868 0.000 0.000 1.559 71 T HN 0.553 nan 8.240 nan 0.000 0.600 72 D N -0.386 120.036 120.400 0.035 0.000 2.117 72 D HA -0.049 4.591 4.640 -0.000 0.000 0.197 72 D C 1.090 177.304 176.300 -0.144 0.000 0.987 72 D CA 1.734 55.690 54.000 -0.073 0.000 0.829 72 D CB 0.027 40.777 40.800 -0.083 0.000 0.961 72 D HN 0.582 nan 8.370 nan 0.000 0.460 73 Y N -0.784 119.648 120.300 0.219 0.000 2.425 73 Y HA 0.174 4.724 4.550 -0.000 0.000 0.261 73 Y C 1.124 177.169 175.900 0.242 0.000 1.084 73 Y CA -0.224 58.026 58.100 0.250 0.000 1.248 73 Y CB 0.875 39.360 38.460 0.043 0.000 1.270 73 Y HN -0.311 nan 8.280 nan 0.000 0.524 74 K N -0.197 120.347 120.400 0.240 0.000 2.082 74 K HA 0.856 5.176 4.320 -0.000 0.000 0.242 74 K C 0.040 176.638 176.600 -0.004 0.000 1.070 74 K CA -0.115 56.249 56.287 0.128 0.000 0.892 74 K CB 1.250 33.814 32.500 0.107 0.000 1.417 74 K HN 0.143 nan 8.250 nan 0.000 0.541 75 G N -0.522 108.266 108.800 -0.020 0.000 2.369 75 G HA2 0.011 3.971 3.960 -0.000 0.000 0.295 75 G HA3 0.011 3.971 3.960 -0.000 0.000 0.295 75 G C -0.842 174.032 174.900 -0.044 0.000 1.298 75 G CA -0.379 44.684 45.100 -0.061 0.000 0.940 75 G HN 0.248 nan 8.290 nan 0.000 0.536 76 S N -0.704 114.972 115.700 -0.039 0.000 2.663 76 S HA 0.400 4.869 4.470 -0.000 0.000 0.243 76 S C 0.217 174.793 174.600 -0.041 0.000 1.009 76 S CA 0.017 58.206 58.200 -0.019 0.000 0.988 76 S CB 0.852 64.071 63.200 0.032 0.000 0.896 76 S HN 0.791 nan 8.310 nan 0.000 0.502 77 V N 4.846 124.727 119.914 -0.054 0.000 2.383 77 V HA 0.298 4.418 4.120 -0.000 0.000 0.275 77 V C -2.175 173.900 176.094 -0.031 0.000 1.036 77 V CA -1.920 60.349 62.300 -0.052 0.000 0.889 77 V CB 1.106 32.892 31.823 -0.060 0.000 0.985 77 V HN 0.099 nan 8.190 nan 0.000 0.459 78 P HA 0.101 nan 4.420 nan 0.000 0.225 78 P C -0.404 176.833 177.300 -0.104 0.000 1.768 78 P CA -0.227 62.804 63.100 -0.116 0.000 0.943 78 P CB -0.723 30.915 31.700 -0.103 0.000 1.936 79 Y N -1.133 119.094 120.300 -0.122 0.000 2.357 79 Y HA 0.196 4.746 4.550 -0.000 0.000 0.340 79 Y C 0.465 176.368 175.900 0.005 0.000 1.260 79 Y CA -0.883 57.140 58.100 -0.128 0.000 1.425 79 Y CB -0.337 38.062 38.460 -0.101 0.000 1.326 79 Y HN 0.129 nan 8.280 nan 0.000 0.580 80 H N 2.710 121.836 119.070 0.093 0.000 3.017 80 H HA 0.105 4.661 4.556 -0.000 0.000 0.276 80 H C 0.553 175.944 175.328 0.105 0.000 1.062 80 H CA -0.356 55.719 56.048 0.045 0.000 1.486 80 H CB 0.848 30.691 29.762 0.134 0.000 1.507 80 H HN 0.695 nan 8.280 nan 0.000 0.508 81 K N 2.350 122.759 120.400 0.015 0.000 2.442 81 K HA -0.138 4.182 4.320 -0.000 0.000 0.198 81 K C 1.327 178.157 176.600 0.384 0.000 1.044 81 K CA 0.932 57.279 56.287 0.100 0.000 0.948 81 K CB 0.115 32.547 32.500 -0.113 0.000 0.762 81 K HN 0.691 nan 8.250 nan 0.000 0.472 82 N N 0.006 118.922 118.700 0.360 0.000 2.299 82 N HA -0.086 4.654 4.740 -0.000 0.000 0.187 82 N C -0.219 175.444 175.510 0.255 0.000 1.099 82 N CA 0.261 53.487 53.050 0.294 0.000 0.867 82 N CB 0.265 38.904 38.487 0.254 0.000 0.974 82 N HN -0.086 nan 8.380 nan 0.000 0.477 83 D N 1.985 122.578 120.400 0.321 0.000 2.411 83 D HA 0.060 4.700 4.640 -0.000 0.000 0.225 83 D C -0.060 176.360 176.300 0.201 0.000 1.156 83 D CA -0.336 53.815 54.000 0.252 0.000 0.874 83 D CB 0.216 41.188 40.800 0.287 0.000 1.034 83 D HN 0.275 nan 8.370 nan 0.000 0.502 84 N N 3.060 121.832 118.700 0.120 0.000 2.273 84 N HA -0.008 4.732 4.740 -0.000 0.000 0.231 84 N C 0.498 176.012 175.510 0.007 0.000 1.134 84 N CA -0.209 52.871 53.050 0.050 0.000 0.856 84 N CB 0.470 38.987 38.487 0.050 0.000 1.068 84 N HN 0.166 nan 8.380 nan 0.000 0.510 85 V N -0.233 119.698 119.914 0.028 0.000 2.806 85 V HA 0.142 4.262 4.120 -0.000 0.000 0.239 85 V C 0.493 176.590 176.094 0.006 0.000 1.113 85 V CA 0.393 62.699 62.300 0.010 0.000 1.137 85 V CB -0.259 31.578 31.823 0.024 0.000 0.865 85 V HN 0.276 nan 8.190 nan 0.000 0.482 86 N N 1.173 119.889 118.700 0.026 0.000 2.524 86 N HA 0.314 5.054 4.740 -0.000 0.000 0.283 86 N C -2.575 172.932 175.510 -0.004 0.000 1.142 86 N CA -1.176 51.883 53.050 0.015 0.000 0.984 86 N CB 1.132 39.639 38.487 0.033 0.000 1.155 86 N HN 0.172 nan 8.380 nan 0.000 0.467 87 P HA 0.134 nan 4.420 nan 0.000 0.274 87 P C 0.197 177.483 177.300 -0.023 0.000 1.260 87 P CA -0.359 62.723 63.100 -0.029 0.000 0.793 87 P CB 0.676 32.357 31.700 -0.031 0.000 1.048 88 L N 1.974 123.183 121.223 -0.024 0.000 2.506 88 L HA 0.058 4.398 4.340 -0.000 0.000 0.281 88 L C -0.954 175.895 176.870 -0.035 0.000 1.228 88 L CA -0.631 54.188 54.840 -0.035 0.000 0.850 88 L CB -0.202 41.833 42.059 -0.041 0.000 1.110 88 L HN 0.440 nan 8.230 nan 0.000 0.496 89 P HA 0.072 nan 4.420 nan 0.000 0.266 89 P C 0.506 177.772 177.300 -0.057 0.000 1.381 89 P CA -0.002 63.072 63.100 -0.043 0.000 0.940 89 P CB 0.505 32.175 31.700 -0.050 0.000 1.435 90 K N 1.144 121.501 120.400 -0.072 0.000 2.021 90 K HA 0.129 4.449 4.320 -0.000 0.000 0.205 90 K C 1.138 177.711 176.600 -0.044 0.000 1.047 90 K CA 1.521 57.720 56.287 -0.147 0.000 0.943 90 K CB -0.683 31.772 32.500 -0.075 0.000 0.725 90 K HN 0.152 nan 8.250 nan 0.000 0.439 91 G N -1.573 107.250 108.800 0.037 0.000 3.211 91 G HA2 0.561 4.521 3.960 -0.000 0.000 0.262 91 G HA3 0.561 4.521 3.960 -0.000 0.000 0.262 91 G C -1.576 173.302 174.900 -0.037 0.000 1.352 91 G CA -0.522 44.643 45.100 0.109 0.000 1.004 91 G HN 0.136 nan 8.290 nan 0.000 0.559 92 F N -0.666 119.071 119.950 -0.355 0.000 2.678 92 F HA 0.359 4.886 4.527 -0.000 0.000 0.308 92 F C 1.254 176.856 175.800 -0.330 0.000 1.118 92 F CA -1.372 56.288 58.000 -0.567 0.000 0.959 92 F CB 1.885 40.083 39.000 -1.337 0.000 1.305 92 F HN 0.587 nan 8.300 nan 0.000 0.443 93 K N 0.947 120.730 120.400 -1.027 0.000 2.283 93 K HA -0.063 4.257 4.320 -0.000 0.000 0.202 93 K C 0.013 176.202 176.600 -0.686 0.000 1.048 93 K CA 1.810 57.606 56.287 -0.818 0.000 0.948 93 K CB -0.290 31.625 32.500 -0.975 0.000 0.742 93 K HN 0.744 nan 8.250 nan 0.000 0.458 94 H N 0.513 119.005 119.070 -0.963 0.000 2.507 94 H HA 0.395 4.951 4.556 -0.000 0.000 0.281 94 H C -0.250 175.168 175.328 0.150 0.000 1.160 94 H CA -0.925 54.798 56.048 -0.541 0.000 0.981 94 H CB 0.741 29.953 29.762 -0.917 0.000 1.665 94 H HN 0.300 nan 8.280 nan 0.000 0.554 95 A N 0.815 123.848 122.820 0.355 0.000 2.257 95 A HA 0.314 4.634 4.320 -0.000 0.000 0.289 95 A C -0.003 177.865 177.584 0.473 0.000 1.095 95 A CA -0.677 51.675 52.037 0.524 0.000 0.836 95 A CB 0.658 19.926 19.000 0.445 0.000 1.111 95 A HN 0.514 nan 8.150 nan 0.000 0.497 96 Q N 0.656 120.684 119.800 0.380 0.000 2.466 96 Q HA 0.261 4.600 4.340 -0.000 0.000 0.242 96 Q C -1.998 174.067 176.000 0.108 0.000 1.046 96 Q CA -1.872 54.049 55.803 0.196 0.000 0.841 96 Q CB 1.391 30.234 28.738 0.175 0.000 1.193 96 Q HN 0.475 nan 8.270 nan 0.000 0.508 97 P HA -0.222 nan 4.420 nan 0.000 0.217 97 P C 0.258 177.495 177.300 -0.106 0.000 1.148 97 P CA 1.423 64.483 63.100 -0.067 0.000 0.828 97 P CB 0.131 31.707 31.700 -0.207 0.000 0.783 98 Y N -1.094 119.134 120.300 -0.120 0.000 2.490 98 Y HA 0.110 4.660 4.550 -0.000 0.000 0.281 98 Y C 2.229 178.004 175.900 -0.208 0.000 1.174 98 Y CA -0.464 57.531 58.100 -0.175 0.000 1.295 98 Y CB -0.391 37.918 38.460 -0.253 0.000 1.062 98 Y HN -0.188 nan 8.280 nan 0.000 0.522 99 L N -0.047 121.140 121.223 -0.059 0.000 2.013 99 L HA -0.337 4.003 4.340 -0.000 0.000 0.212 99 L C 2.213 179.016 176.870 -0.111 0.000 1.073 99 L CA 1.739 56.410 54.840 -0.282 0.000 0.753 99 L CB -0.501 41.512 42.059 -0.076 0.000 0.890 99 L HN 0.223 nan 8.230 nan 0.000 0.432 100 K N -0.008 120.476 120.400 0.140 0.000 2.063 100 K HA -0.178 4.142 4.320 -0.000 0.000 0.208 100 K C 1.856 178.594 176.600 0.231 0.000 1.048 100 K CA 1.875 58.300 56.287 0.231 0.000 0.928 100 K CB -0.288 32.341 32.500 0.215 0.000 0.713 100 K HN 0.321 nan 8.250 nan 0.000 0.442 101 N N 1.116 119.957 118.700 0.235 0.000 2.043 101 N HA -0.151 4.589 4.740 -0.000 0.000 0.193 101 N C 1.697 177.470 175.510 0.439 0.000 1.037 101 N CA 1.112 54.390 53.050 0.379 0.000 0.851 101 N CB -0.316 38.297 38.487 0.209 0.000 1.027 101 N HN 0.059 nan 8.380 nan 0.000 0.422 102 L N -1.123 120.203 121.223 0.172 0.000 2.353 102 L HA -0.084 4.256 4.340 -0.000 0.000 0.220 102 L C 0.795 177.891 176.870 0.376 0.000 1.133 102 L CA 0.614 55.548 54.840 0.157 0.000 0.798 102 L CB -0.127 41.896 42.059 -0.060 0.000 0.922 102 L HN 0.371 nan 8.230 nan 0.000 0.445 103 W N -0.621 120.886 121.300 0.344 0.000 2.966 103 W HA 0.309 4.969 4.660 -0.000 0.000 0.406 103 W C 0.087 176.569 176.519 -0.061 0.000 1.027 103 W CA -1.561 55.858 57.345 0.123 0.000 1.930 103 W CB -0.382 29.076 29.460 -0.004 0.000 1.144 103 W HN -0.090 nan 8.180 nan 0.000 0.626 104 L N 1.635 122.930 121.223 0.120 0.000 2.601 104 L HA 0.267 4.606 4.340 -0.000 0.000 0.277 104 L C 1.423 178.218 176.870 -0.126 0.000 1.219 104 L CA 2.358 57.135 54.840 -0.105 0.000 0.915 104 L CB 0.267 42.178 42.059 -0.247 0.000 1.160 104 L HN 0.454 nan 8.230 nan 0.000 0.494 105 G N 2.181 110.917 108.800 -0.107 0.000 2.175 105 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.244 105 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.244 105 G C -0.338 174.499 174.900 -0.105 0.000 0.982 105 G CA 0.131 45.225 45.100 -0.010 0.000 0.641 105 G HN 0.676 nan 8.290 nan 0.000 0.527 106 Y N 0.259 120.201 120.300 -0.596 0.000 2.524 106 Y HA 0.610 5.160 4.550 -0.000 0.000 0.344 106 Y C -1.873 173.746 175.900 -0.468 0.000 1.012 106 Y CA -2.054 55.599 58.100 -0.744 0.000 1.068 106 Y CB 2.063 39.562 38.460 -1.603 0.000 1.249 106 Y HN -0.060 nan 8.280 nan 0.000 0.468 107 P HA -0.171 nan 4.420 nan 0.000 0.218 107 P C 1.129 178.243 177.300 -0.310 0.000 1.146 107 P CA 1.636 64.506 63.100 -0.384 0.000 0.813 107 P CB -0.009 31.484 31.700 -0.345 0.000 0.778 108 F N -0.471 119.183 119.950 -0.493 0.000 2.583 108 F HA -0.096 4.430 4.527 -0.000 0.000 0.297 108 F C 2.092 177.905 175.800 0.020 0.000 1.131 108 F CA 0.958 58.783 58.000 -0.293 0.000 1.467 108 F CB -1.074 37.478 39.000 -0.746 0.000 1.097 108 F HN -0.015 nan 8.300 nan 0.000 0.586 109 M N -2.765 116.842 119.600 0.011 0.000 2.562 109 M HA -0.071 4.409 4.480 -0.000 0.000 0.257 109 M C 1.140 177.430 176.300 -0.017 0.000 1.099 109 M CA 1.594 56.910 55.300 0.027 0.000 1.099 109 M CB -0.737 31.778 32.600 -0.141 0.000 1.427 109 M HN 0.147 nan 8.290 nan 0.000 0.489 110 Y N 0.664 120.998 120.300 0.056 0.000 2.301 110 Y HA 0.310 4.860 4.550 -0.000 0.000 0.295 110 Y C 0.778 176.657 175.900 -0.036 0.000 1.126 110 Y CA 0.068 58.165 58.100 -0.005 0.000 1.154 110 Y CB 0.519 38.944 38.460 -0.059 0.000 1.075 110 Y HN 0.294 nan 8.280 nan 0.000 0.534 111 E N -0.935 119.328 120.200 0.105 0.000 2.378 111 E HA 0.227 4.576 4.350 -0.000 0.000 0.283 111 E C -2.245 174.381 176.600 0.042 0.000 0.979 111 E CA -0.724 55.685 56.400 0.014 0.000 0.795 111 E CB 2.100 31.765 29.700 -0.057 0.000 1.221 111 E HN 0.008 nan 8.360 nan 0.000 0.428 112 Y N 3.967 124.240 120.300 -0.045 0.000 2.262 112 Y HA 0.394 4.944 4.550 -0.000 0.000 0.317 112 Y C -2.007 173.932 175.900 0.066 0.000 1.230 112 Y CA -0.775 57.319 58.100 -0.011 0.000 1.166 112 Y CB 0.613 39.190 38.460 0.195 0.000 1.254 112 Y HN 0.491 nan 8.280 nan 0.000 0.405 113 N N 3.260 121.751 118.700 -0.349 0.000 2.381 113 N HA 0.264 5.004 4.740 -0.000 0.000 0.294 113 N C -1.018 174.194 175.510 -0.497 0.000 1.216 113 N CA -0.975 51.843 53.050 -0.386 0.000 0.803 113 N CB 1.635 40.038 38.487 -0.140 0.000 1.372 113 N HN 0.694 nan 8.380 nan 0.000 0.500 114 E N 0.532 120.384 120.200 -0.580 0.000 2.418 114 E HA 0.084 4.434 4.350 -0.000 0.000 0.261 114 E C -0.404 176.078 176.600 -0.198 0.000 1.070 114 E CA -0.081 56.070 56.400 -0.416 0.000 0.931 114 E CB 0.360 29.750 29.700 -0.517 0.000 0.954 114 E HN 0.563 nan 8.360 nan 0.000 0.439 115 T N 1.637 116.139 114.554 -0.085 0.000 2.918 115 T HA 0.582 4.932 4.350 -0.000 0.000 0.283 115 T C 0.365 175.057 174.700 -0.014 0.000 1.001 115 T CA -0.812 61.276 62.100 -0.020 0.000 1.041 115 T CB 1.098 69.989 68.868 0.040 0.000 1.028 115 T HN 0.418 nan 8.240 nan 0.000 0.511 116 R N 0.131 120.640 120.500 0.015 0.000 2.843 116 R HA 0.650 4.990 4.340 -0.000 0.000 0.232 116 R C 0.929 177.280 176.300 0.085 0.000 1.305 116 R CA -0.987 55.144 56.100 0.052 0.000 1.096 116 R CB 0.672 30.995 30.300 0.039 0.000 1.455 116 R HN 0.875 nan 8.270 nan 0.000 0.520 117 G N -0.760 108.120 108.800 0.133 0.000 2.636 117 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.246 117 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.246 117 G C 0.274 175.164 174.900 -0.017 0.000 1.216 117 G CA -0.204 44.880 45.100 -0.026 0.000 0.854 117 G HN 0.715 nan 8.290 nan 0.000 0.572 118 H N -0.589 118.434 119.070 -0.079 0.000 2.426 118 H HA -0.179 4.377 4.556 -0.000 0.000 0.298 118 H C 2.757 178.013 175.328 -0.120 0.000 1.107 118 H CA 1.722 57.724 56.048 -0.077 0.000 1.298 118 H CB 0.129 29.863 29.762 -0.047 0.000 1.377 118 H HN 0.575 nan 8.280 nan 0.000 0.519 119 T N -1.520 112.923 114.554 -0.185 0.000 2.977 119 T HA -0.182 4.168 4.350 -0.000 0.000 0.271 119 T C 1.027 175.547 174.700 -0.299 0.000 1.105 119 T CA 1.022 62.932 62.100 -0.316 0.000 1.116 119 T CB -0.232 68.303 68.868 -0.555 0.000 0.878 119 T HN 0.396 nan 8.240 nan 0.000 0.509 120 Y N 0.562 120.864 120.300 0.004 0.000 2.458 120 Y HA 0.684 5.233 4.550 -0.000 0.000 0.256 120 Y C 2.440 178.380 175.900 0.066 0.000 1.159 120 Y CA -0.933 57.191 58.100 0.039 0.000 1.261 120 Y CB -0.494 37.985 38.460 0.031 0.000 1.119 120 Y HN 0.246 nan 8.280 nan 0.000 0.524 121 A N 0.911 123.843 122.820 0.186 0.000 1.884 121 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 121 A C 2.157 179.839 177.584 0.163 0.000 1.197 121 A CA 2.288 54.413 52.037 0.147 0.000 0.637 121 A CB -0.870 18.180 19.000 0.083 0.000 0.827 121 A HN 0.471 nan 8.150 nan 0.000 0.450 122 I N -0.562 120.110 120.570 0.169 0.000 2.252 122 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 122 I C 1.963 178.238 176.117 0.262 0.000 1.102 122 I CA 1.410 62.852 61.300 0.238 0.000 1.385 122 I CB -0.675 37.491 38.000 0.277 0.000 1.064 122 I HN 0.262 nan 8.210 nan 0.000 0.414 123 D N 1.249 121.794 120.400 0.241 0.000 2.106 123 D HA -0.206 4.434 4.640 -0.000 0.000 0.191 123 D C 1.785 178.182 176.300 0.161 0.000 0.997 123 D CA 1.479 55.610 54.000 0.219 0.000 0.834 123 D CB -0.422 40.547 40.800 0.281 0.000 0.956 123 D HN 0.290 nan 8.370 nan 0.000 0.448 124 D N -0.407 120.090 120.400 0.162 0.000 2.117 124 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 124 D C 1.907 178.263 176.300 0.094 0.000 0.987 124 D CA 0.305 54.364 54.000 0.099 0.000 0.829 124 D CB -0.504 40.351 40.800 0.091 0.000 0.961 124 D HN 0.145 nan 8.370 nan 0.000 0.460 125 F N 1.340 121.267 119.950 -0.038 0.000 2.120 125 F HA -0.143 4.384 4.527 -0.000 0.000 0.300 125 F C 2.038 177.748 175.800 -0.150 0.000 1.095 125 F CA 1.214 59.136 58.000 -0.131 0.000 1.249 125 F CB -0.184 38.690 39.000 -0.210 0.000 0.995 125 F HN -0.090 nan 8.300 nan 0.000 0.480 126 L N -0.296 120.924 121.223 -0.006 0.000 2.558 126 L HA -0.031 4.309 4.340 -0.000 0.000 0.225 126 L C 1.344 178.158 176.870 -0.093 0.000 1.128 126 L CA 0.239 55.020 54.840 -0.098 0.000 0.868 126 L CB -0.553 41.540 42.059 0.057 0.000 1.006 126 L HN 0.135 nan 8.230 nan 0.000 0.454 127 N N 0.036 118.699 118.700 -0.060 0.000 2.356 127 N HA 0.073 4.813 4.740 -0.000 0.000 0.178 127 N C 0.550 176.012 175.510 -0.080 0.000 1.075 127 N CA 0.059 53.083 53.050 -0.044 0.000 0.889 127 N CB 0.641 39.127 38.487 -0.002 0.000 0.999 127 N HN 0.105 nan 8.380 nan 0.000 0.464 128 I N 1.812 122.299 120.570 -0.138 0.000 2.618 128 I HA -0.103 4.067 4.170 -0.000 0.000 0.284 128 I C 1.346 177.369 176.117 -0.157 0.000 1.146 128 I CA 0.166 61.376 61.300 -0.151 0.000 1.425 128 I CB 0.774 38.652 38.000 -0.203 0.000 1.383 128 I HN -0.051 nan 8.210 nan 0.000 0.562 129 D N 5.117 125.456 120.400 -0.101 0.000 2.348 129 D HA -0.064 4.576 4.640 -0.000 0.000 0.216 129 D C 1.835 178.080 176.300 -0.091 0.000 0.970 129 D CA 1.055 55.008 54.000 -0.077 0.000 0.889 129 D CB 0.266 41.038 40.800 -0.046 0.000 0.912 129 D HN 0.524 nan 8.370 nan 0.000 0.524 130 R N -0.199 120.233 120.500 -0.113 0.000 2.096 130 R HA -0.018 4.322 4.340 -0.000 0.000 0.235 130 R C 0.626 176.844 176.300 -0.135 0.000 1.127 130 R CA 0.562 56.596 56.100 -0.110 0.000 0.968 130 R CB -0.165 29.965 30.300 -0.284 0.000 0.861 130 R HN 0.276 nan 8.270 nan 0.000 0.440 131 I N 2.596 123.034 120.570 -0.221 0.000 2.416 131 I HA -0.026 4.144 4.170 -0.000 0.000 0.288 131 I C 0.351 176.382 176.117 -0.142 0.000 1.051 131 I CA -0.519 60.642 61.300 -0.231 0.000 1.375 131 I CB 0.532 38.288 38.000 -0.407 0.000 1.407 131 I HN -0.004 nan 8.210 nan 0.000 0.516 132 N N 6.011 124.668 118.700 -0.072 0.000 2.447 132 N HA 0.020 4.760 4.740 -0.000 0.000 0.263 132 N C 0.379 175.902 175.510 0.022 0.000 1.226 132 N CA 0.669 53.727 53.050 0.012 0.000 0.906 132 N CB 0.508 39.023 38.487 0.047 0.000 1.060 132 N HN 0.449 nan 8.380 nan 0.000 0.468 133 R N 2.499 123.030 120.500 0.051 0.000 2.535 133 R HA 0.198 4.538 4.340 -0.000 0.000 0.323 133 R C 0.050 176.176 176.300 -0.289 0.000 0.979 133 R CA 0.058 56.107 56.100 -0.086 0.000 1.120 133 R CB 0.429 30.568 30.300 -0.268 0.000 1.306 133 R HN 0.484 nan 8.270 nan 0.000 0.540 134 F N 0.204 120.168 119.950 0.024 0.000 2.683 134 F HA 0.406 4.932 4.527 -0.000 0.000 0.306 134 F C 0.788 176.590 175.800 0.003 0.000 1.102 134 F CA -0.649 57.350 58.000 -0.003 0.000 1.244 134 F CB 0.790 39.763 39.000 -0.044 0.000 1.029 134 F HN -0.106 nan 8.300 nan 0.000 0.545 135 A N 0.405 123.316 122.820 0.152 0.000 2.331 135 A HA 0.674 4.994 4.320 -0.000 0.000 0.283 135 A C 1.378 178.995 177.584 0.055 0.000 1.142 135 A CA 0.277 52.375 52.037 0.101 0.000 0.812 135 A CB 0.646 19.703 19.000 0.095 0.000 1.074 135 A HN 0.330 nan 8.150 nan 0.000 0.497 136 A N 2.104 124.945 122.820 0.035 0.000 1.865 136 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 136 A C 1.535 179.114 177.584 -0.008 0.000 1.191 136 A CA 2.198 54.236 52.037 0.002 0.000 0.623 136 A CB -0.745 18.258 19.000 0.004 0.000 0.826 136 A HN 0.926 nan 8.150 nan 0.000 0.444 137 D N -1.680 118.728 120.400 0.013 0.000 2.378 137 D HA 0.200 4.839 4.640 -0.000 0.000 0.222 137 D C 1.227 177.552 176.300 0.041 0.000 0.980 137 D CA 1.139 55.148 54.000 0.015 0.000 0.907 137 D CB -0.872 39.940 40.800 0.020 0.000 0.899 137 D HN 1.018 nan 8.370 nan 0.000 0.527 138 G N -0.074 108.768 108.800 0.069 0.000 2.143 138 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.248 138 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.248 138 G C 0.083 175.167 174.900 0.307 0.000 0.991 138 G CA 0.190 45.404 45.100 0.190 0.000 0.689 138 G HN 0.487 nan 8.290 nan 0.000 0.522 139 K N -0.145 120.349 120.400 0.156 0.000 2.237 139 K HA 0.448 4.768 4.320 -0.000 0.000 0.270 139 K C 1.591 178.237 176.600 0.076 0.000 1.015 139 K CA 0.160 56.508 56.287 0.101 0.000 0.949 139 K CB 0.944 33.478 32.500 0.056 0.000 0.976 139 K HN 0.196 nan 8.250 nan 0.000 0.472 140 G N 1.603 110.413 108.800 0.015 0.000 2.777 140 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.211 140 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.211 140 G C 0.150 175.041 174.900 -0.015 0.000 1.149 140 G CA 0.001 45.078 45.100 -0.038 0.000 0.785 140 G HN 1.042 nan 8.290 nan 0.000 0.536 141 N N -1.687 117.020 118.700 0.011 0.000 2.782 141 N HA -0.142 4.598 4.740 -0.000 0.000 0.251 141 N C -0.554 174.974 175.510 0.031 0.000 1.101 141 N CA 0.369 53.435 53.050 0.026 0.000 0.764 141 N CB -1.138 37.372 38.487 0.038 0.000 1.122 141 N HN 0.304 nan 8.380 nan 0.000 0.561 142 L N -0.754 120.481 121.223 0.019 0.000 2.371 142 L HA 0.641 4.981 4.340 -0.000 0.000 0.262 142 L C -2.382 174.506 176.870 0.030 0.000 1.006 142 L CA -2.041 52.831 54.840 0.054 0.000 0.818 142 L CB 2.154 44.239 42.059 0.042 0.000 1.354 142 L HN -0.295 nan 8.230 nan 0.000 0.415 143 P HA 0.096 nan 4.420 nan 0.000 0.272 143 P C 0.022 177.274 177.300 -0.079 0.000 1.223 143 P CA -0.264 62.774 63.100 -0.102 0.000 0.784 143 P CB 0.862 32.379 31.700 -0.306 0.000 0.923 144 A N 1.873 124.597 122.820 -0.159 0.000 2.125 144 A HA -0.136 4.183 4.320 -0.000 0.000 0.219 144 A C 1.855 179.441 177.584 0.004 0.000 1.156 144 A CA 1.808 53.754 52.037 -0.152 0.000 0.671 144 A CB -1.728 16.755 19.000 -0.862 0.000 0.794 144 A HN 0.544 nan 8.150 nan 0.000 0.459 145 T N -0.838 113.695 114.554 -0.035 0.000 2.897 145 T HA -0.198 4.152 4.350 -0.000 0.000 0.271 145 T C 1.634 176.478 174.700 0.241 0.000 1.084 145 T CA 1.436 63.648 62.100 0.188 0.000 1.123 145 T CB -0.779 67.898 68.868 -0.318 0.000 0.865 145 T HN 0.618 nan 8.240 nan 0.000 0.496 146 C N -0.059 119.366 119.300 0.208 0.000 2.422 146 C HA -0.058 4.402 4.460 -0.000 0.000 0.286 146 C C 2.054 177.065 174.990 0.036 0.000 1.412 146 C CA -0.254 58.928 59.018 0.273 0.000 1.786 146 C CB -1.635 26.312 27.740 0.344 0.000 1.835 146 C HN 0.730 nan 8.230 nan 0.000 0.533 147 W N 0.695 122.069 121.300 0.123 0.000 2.905 147 W HA 0.060 4.720 4.660 -0.000 0.000 0.251 147 W C 2.176 178.735 176.519 0.066 0.000 1.305 147 W CA 0.473 57.807 57.345 -0.018 0.000 1.465 147 W CB -0.605 29.018 29.460 0.271 0.000 1.122 147 W HN 0.352 nan 8.180 nan 0.000 0.659 148 N N -0.036 118.894 118.700 0.384 0.000 2.091 148 N HA -0.192 4.548 4.740 -0.000 0.000 0.193 148 N C 0.692 176.365 175.510 0.272 0.000 1.021 148 N CA 1.727 54.997 53.050 0.367 0.000 0.862 148 N CB -0.328 38.366 38.487 0.344 0.000 1.018 148 N HN -0.043 nan 8.380 nan 0.000 0.429 149 C N 0.012 119.389 119.300 0.128 0.000 2.548 149 C HA 0.422 4.882 4.460 -0.000 0.000 0.297 149 C C 0.885 175.845 174.990 -0.050 0.000 1.422 149 C CA -0.691 58.371 59.018 0.073 0.000 1.785 149 C CB -0.564 27.172 27.740 -0.006 0.000 2.593 149 C HN 0.296 nan 8.230 nan 0.000 0.545 150 K N 0.219 120.581 120.400 -0.063 0.000 2.491 150 K HA 0.204 4.524 4.320 -0.000 0.000 0.211 150 K C 0.369 176.927 176.600 -0.071 0.000 1.210 150 K CA 0.472 56.687 56.287 -0.120 0.000 1.003 150 K CB 1.088 33.389 32.500 -0.331 0.000 1.009 150 K HN 0.396 nan 8.250 nan 0.000 0.577 151 T N 0.446 114.931 114.554 -0.115 0.000 2.977 151 T HA 0.251 4.601 4.350 -0.000 0.000 0.345 151 T C -2.726 171.743 174.700 -0.385 0.000 1.562 151 T CA -1.123 60.855 62.100 -0.203 0.000 1.090 151 T CB 1.780 70.565 68.868 -0.138 0.000 1.383 151 T HN -0.275 nan 8.240 nan 0.000 0.484 152 P HA 0.071 nan 4.420 nan 0.000 0.223 152 P C 1.372 178.395 177.300 -0.461 0.000 1.151 152 P CA 0.513 63.337 63.100 -0.459 0.000 0.787 152 P CB 0.156 31.659 31.700 -0.327 0.000 0.788 153 K N -0.683 119.353 120.400 -0.605 0.000 2.362 153 K HA -0.102 4.218 4.320 -0.000 0.000 0.202 153 K C 1.840 177.787 176.600 -1.089 0.000 1.045 153 K CA 0.953 56.654 56.287 -0.978 0.000 0.936 153 K CB -0.436 31.159 32.500 -1.507 0.000 0.747 153 K HN 0.137 nan 8.250 nan 0.000 0.467 154 M N 0.116 119.304 119.600 -0.686 0.000 2.108 154 M HA -0.205 4.275 4.480 -0.000 0.000 0.257 154 M C 2.110 178.200 176.300 -0.349 0.000 1.071 154 M CA 1.619 56.676 55.300 -0.406 0.000 1.093 154 M CB -0.739 31.841 32.600 -0.034 0.000 1.345 154 M HN 0.203 nan 8.290 nan 0.000 0.403 155 M N -0.502 118.945 119.600 -0.256 0.000 2.080 155 M HA -0.252 4.228 4.480 -0.000 0.000 0.260 155 M C 2.109 178.278 176.300 -0.218 0.000 1.068 155 M CA 2.157 57.352 55.300 -0.175 0.000 1.109 155 M CB -0.567 31.962 32.600 -0.117 0.000 1.342 155 M HN 0.339 nan 8.290 nan 0.000 0.405 156 E N -0.285 119.739 120.200 -0.294 0.000 2.106 156 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 156 E C 1.826 178.347 176.600 -0.131 0.000 0.984 156 E CA 1.236 57.499 56.400 -0.227 0.000 0.806 156 E CB -0.185 29.363 29.700 -0.254 0.000 0.750 156 E HN 0.514 nan 8.360 nan 0.000 0.458 157 W N 0.853 121.946 121.300 -0.346 0.000 2.381 157 W HA -0.058 4.602 4.660 -0.000 0.000 0.301 157 W C 2.327 178.558 176.519 -0.480 0.000 1.205 157 W CA 0.418 57.502 57.345 -0.435 0.000 1.285 157 W CB -0.921 27.955 29.460 -0.972 0.000 1.133 157 W HN 0.042 nan 8.180 nan 0.000 0.521 158 V N -0.083 119.610 119.914 -0.367 0.000 2.515 158 V HA -0.239 3.881 4.120 -0.000 0.000 0.250 158 V C 2.340 178.345 176.094 -0.148 0.000 1.058 158 V CA 1.972 64.072 62.300 -0.334 0.000 1.064 158 V CB -0.971 30.666 31.823 -0.310 0.000 0.675 158 V HN 0.047 nan 8.190 nan 0.000 0.461 159 S N -0.856 114.769 115.700 -0.126 0.000 2.368 159 S HA -0.261 4.209 4.470 -0.000 0.000 0.224 159 S C 1.985 176.523 174.600 -0.103 0.000 1.029 159 S CA 1.802 59.946 58.200 -0.093 0.000 0.988 159 S CB -0.201 62.944 63.200 -0.091 0.000 0.838 159 S HN 0.686 nan 8.310 nan 0.000 0.462 160 Q N -0.893 118.827 119.800 -0.134 0.000 2.096 160 Q HA -0.040 4.300 4.340 -0.000 0.000 0.197 160 Q C 1.107 176.888 176.000 -0.365 0.000 0.964 160 Q CA 1.273 56.905 55.803 -0.285 0.000 0.838 160 Q CB 0.001 28.491 28.738 -0.414 0.000 0.906 160 Q HN 0.674 nan 8.270 nan 0.000 0.444 161 Y N -0.883 119.417 120.300 -0.000 0.000 2.481 161 Y HA 0.265 4.815 4.550 -0.000 0.000 0.258 161 Y C 1.333 177.224 175.900 -0.015 0.000 1.103 161 Y CA 0.055 58.167 58.100 0.021 0.000 1.287 161 Y CB 0.658 39.180 38.460 0.103 0.000 1.108 161 Y HN 0.302 nan 8.280 nan 0.000 0.529 162 G N 0.981 109.814 108.800 0.056 0.000 2.578 162 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.275 162 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.275 162 G C 0.467 175.379 174.900 0.020 0.000 1.271 162 G CA 0.468 45.586 45.100 0.028 0.000 0.941 162 G HN 0.276 nan 8.290 nan 0.000 0.564 163 D N 0.242 120.715 120.400 0.121 0.000 2.322 163 D HA -0.073 4.566 4.640 -0.000 0.000 0.210 163 D C 2.282 178.702 176.300 0.200 0.000 0.983 163 D CA 1.453 55.601 54.000 0.246 0.000 0.902 163 D CB -0.018 40.912 40.800 0.216 0.000 0.905 163 D HN 0.520 nan 8.370 nan 0.000 0.483 164 K N -0.975 119.490 120.400 0.107 0.000 2.400 164 K HA -0.002 4.318 4.320 -0.000 0.000 0.194 164 K C 1.680 178.278 176.600 -0.003 0.000 1.033 164 K CA -0.272 56.067 56.287 0.087 0.000 1.021 164 K CB 0.096 32.660 32.500 0.107 0.000 0.808 164 K HN 0.119 nan 8.250 nan 0.000 0.505 165 F N 0.698 120.494 119.950 -0.256 0.000 2.134 165 F HA -0.229 4.298 4.527 -0.000 0.000 0.299 165 F C 1.404 177.010 175.800 -0.323 0.000 1.097 165 F CA 1.527 59.284 58.000 -0.405 0.000 1.264 165 F CB -0.318 38.315 39.000 -0.613 0.000 1.001 165 F HN 0.030 nan 8.300 nan 0.000 0.479 166 W N 0.766 121.994 121.300 -0.119 0.000 2.302 166 W HA -0.276 4.384 4.660 -0.000 0.000 0.320 166 W C 2.830 179.133 176.519 -0.360 0.000 1.241 166 W CA 1.639 58.830 57.345 -0.257 0.000 1.264 166 W CB -1.373 28.037 29.460 -0.085 0.000 1.154 166 W HN 0.172 nan 8.180 nan 0.000 0.483 167 S N -0.447 115.245 115.700 -0.014 0.000 2.603 167 S HA 0.140 4.610 4.470 -0.000 0.000 0.220 167 S C 0.715 175.243 174.600 -0.120 0.000 0.967 167 S CA -0.103 58.060 58.200 -0.062 0.000 0.920 167 S CB -0.692 62.507 63.200 -0.002 0.000 0.773 167 S HN 0.065 nan 8.310 nan 0.000 0.529 168 M N 2.137 121.609 119.600 -0.214 0.000 2.219 168 M HA 0.151 4.631 4.480 -0.000 0.000 0.307 168 M C 0.343 176.550 176.300 -0.155 0.000 1.116 168 M CA 0.064 55.241 55.300 -0.205 0.000 1.181 168 M CB -0.050 32.381 32.600 -0.282 0.000 1.410 168 M HN 0.151 nan 8.290 nan 0.000 0.454 169 D N 0.193 120.531 120.400 -0.104 0.000 2.382 169 D HA 0.074 4.714 4.640 -0.000 0.000 0.245 169 D C 0.829 177.140 176.300 0.018 0.000 1.120 169 D CA -0.163 53.810 54.000 -0.045 0.000 0.890 169 D CB 1.197 41.980 40.800 -0.028 0.000 1.201 169 D HN 0.391 nan 8.370 nan 0.000 0.433 170 V N 4.085 124.036 119.914 0.061 0.000 2.317 170 V HA -0.274 3.846 4.120 -0.000 0.000 0.251 170 V C 1.303 177.586 176.094 0.314 0.000 1.065 170 V CA 1.999 64.427 62.300 0.212 0.000 1.049 170 V CB -0.578 31.276 31.823 0.052 0.000 0.651 170 V HN 0.621 nan 8.190 nan 0.000 0.450 171 N N 0.080 118.819 118.700 0.064 0.000 2.521 171 N HA -0.044 4.696 4.740 -0.000 0.000 0.188 171 N C 1.479 176.979 175.510 -0.016 0.000 1.146 171 N CA 0.661 53.676 53.050 -0.058 0.000 0.893 171 N CB -0.176 38.194 38.487 -0.195 0.000 0.975 171 N HN 0.666 nan 8.380 nan 0.000 0.451 172 E N -0.951 119.206 120.200 -0.072 0.000 2.516 172 E HA -0.010 4.340 4.350 -0.000 0.000 0.199 172 E C -0.169 176.003 176.600 -0.712 0.000 1.069 172 E CA 0.482 56.663 56.400 -0.365 0.000 0.876 172 E CB 0.049 29.420 29.700 -0.548 0.000 0.843 172 E HN 0.359 nan 8.360 nan 0.000 0.530 173 F N -0.843 118.982 119.950 -0.208 0.000 2.791 173 F HA 0.271 4.797 4.527 -0.000 0.000 0.316 173 F C 1.632 177.315 175.800 -0.195 0.000 1.134 173 F CA -0.421 57.313 58.000 -0.443 0.000 1.222 173 F CB 0.548 38.797 39.000 -1.251 0.000 1.034 173 F HN -0.172 nan 8.300 nan 0.000 0.516 174 R N 0.957 121.534 120.500 0.128 0.000 2.156 174 R HA 0.394 4.734 4.340 -0.000 0.000 0.207 174 R C 1.114 177.497 176.300 0.137 0.000 1.040 174 R CA 0.521 56.719 56.100 0.162 0.000 1.013 174 R CB 0.072 30.188 30.300 -0.306 0.000 0.931 174 R HN 0.153 nan 8.270 nan 0.000 0.465 175 A N 1.468 124.407 122.820 0.198 0.000 2.466 175 A HA 0.055 4.375 4.320 -0.000 0.000 0.238 175 A C 0.483 178.189 177.584 0.204 0.000 1.074 175 A CA -0.085 52.124 52.037 0.287 0.000 0.774 175 A CB 0.389 19.559 19.000 0.284 0.000 1.015 175 A HN 0.398 nan 8.150 nan 0.000 0.498 176 K N 0.203 120.719 120.400 0.193 0.000 2.218 176 K HA -0.191 4.129 4.320 -0.000 0.000 0.205 176 K C 0.790 177.466 176.600 0.127 0.000 1.046 176 K CA 1.815 58.193 56.287 0.152 0.000 0.933 176 K CB -0.100 32.477 32.500 0.128 0.000 0.728 176 K HN 0.891 nan 8.250 nan 0.000 0.454 177 D N -0.114 120.356 120.400 0.117 0.000 2.349 177 D HA -0.081 4.558 4.640 -0.000 0.000 0.224 177 D C 1.183 177.553 176.300 0.118 0.000 1.029 177 D CA 0.604 54.663 54.000 0.098 0.000 0.879 177 D CB 0.231 41.076 40.800 0.075 0.000 0.906 177 D HN -0.039 nan 8.370 nan 0.000 0.528 178 K N -0.329 120.158 120.400 0.144 0.000 2.287 178 K HA 0.301 4.621 4.320 -0.000 0.000 0.199 178 K C 0.458 177.213 176.600 0.259 0.000 1.061 178 K CA -0.061 56.350 56.287 0.206 0.000 0.976 178 K CB 1.178 33.771 32.500 0.155 0.000 0.898 178 K HN 0.228 nan 8.250 nan 0.000 0.492 179 I N 0.640 121.321 120.570 0.185 0.000 2.775 179 I HA 0.196 4.366 4.170 -0.000 0.000 0.295 179 I C -1.715 174.485 176.117 0.139 0.000 1.287 179 I CA -0.640 60.746 61.300 0.143 0.000 1.029 179 I CB 2.112 40.191 38.000 0.131 0.000 1.282 179 I HN -0.106 nan 8.210 nan 0.000 0.426 180 N N 5.600 124.364 118.700 0.106 0.000 2.462 180 N HA 0.340 5.080 4.740 -0.000 0.000 0.242 180 N C 0.680 176.282 175.510 0.153 0.000 1.010 180 N CA 0.474 53.600 53.050 0.125 0.000 0.939 180 N CB 1.892 40.441 38.487 0.102 0.000 1.127 180 N HN 0.829 nan 8.380 nan 0.000 0.509 181 A N 3.378 126.315 122.820 0.194 0.000 1.978 181 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 181 A C 1.812 179.517 177.584 0.202 0.000 1.170 181 A CA 1.533 53.702 52.037 0.219 0.000 0.636 181 A CB -0.535 18.607 19.000 0.235 0.000 0.810 181 A HN 0.871 nan 8.150 nan 0.000 0.448 182 H N -1.462 117.663 119.070 0.092 0.000 2.355 182 H HA 0.023 4.579 4.556 -0.000 0.000 0.303 182 H C 1.636 177.000 175.328 0.060 0.000 1.061 182 H CA 1.617 57.704 56.048 0.065 0.000 1.368 182 H CB 0.102 29.903 29.762 0.065 0.000 1.412 182 H HN 0.389 nan 8.280 nan 0.000 0.523 183 D N -0.318 120.171 120.400 0.147 0.000 2.301 183 D HA -0.026 4.614 4.640 -0.000 0.000 0.206 183 D C 0.768 177.095 176.300 0.045 0.000 0.979 183 D CA 0.584 54.640 54.000 0.094 0.000 0.874 183 D CB 0.276 41.157 40.800 0.135 0.000 0.968 183 D HN 0.499 nan 8.370 nan 0.000 0.510 184 E N -0.169 120.052 120.200 0.034 0.000 2.499 184 E HA 0.081 4.431 4.350 -0.000 0.000 0.199 184 E C 0.426 177.005 176.600 -0.034 0.000 1.016 184 E CA -0.152 56.233 56.400 -0.025 0.000 0.933 184 E CB 0.892 30.555 29.700 -0.062 0.000 1.050 184 E HN -0.001 nan 8.360 nan 0.000 0.462 185 T N 0.333 114.888 114.554 0.002 0.000 2.698 185 T HA 0.176 4.525 4.350 -0.000 0.000 0.295 185 T C 0.623 175.299 174.700 -0.039 0.000 1.007 185 T CA -0.509 61.594 62.100 0.006 0.000 0.980 185 T CB 0.376 69.259 68.868 0.026 0.000 1.036 185 T HN 0.021 nan 8.240 nan 0.000 0.526 186 I N 2.436 122.979 120.570 -0.044 0.000 3.015 186 I HA 0.196 4.366 4.170 -0.000 0.000 0.309 186 I C 1.128 177.242 176.117 -0.004 0.000 1.229 186 I CA 0.585 61.828 61.300 -0.096 0.000 1.430 186 I CB -0.477 37.450 38.000 -0.121 0.000 1.347 186 I HN 0.749 nan 8.210 nan 0.000 0.544 187 G N 4.110 112.813 108.800 -0.162 0.000 2.911 187 G HA2 0.299 4.259 3.960 -0.000 0.000 0.299 187 G HA3 0.299 4.259 3.960 -0.000 0.000 0.299 187 G C 0.538 175.163 174.900 -0.458 0.000 1.283 187 G CA -0.210 44.715 45.100 -0.292 0.000 0.805 187 G HN 0.611 nan 8.290 nan 0.000 0.548 188 C N 0.570 119.480 119.300 -0.650 0.000 2.413 188 C HA 0.118 4.578 4.460 -0.000 0.000 0.276 188 C C 3.326 178.043 174.990 -0.455 0.000 1.248 188 C CA 1.503 60.087 59.018 -0.724 0.000 1.742 188 C CB -1.404 25.384 27.740 -1.586 0.000 2.017 188 C HN 0.775 nan 8.230 nan 0.000 0.481 189 A N 1.243 123.840 122.820 -0.372 0.000 2.172 189 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 189 A C 1.750 179.222 177.584 -0.186 0.000 1.154 189 A CA 1.558 53.511 52.037 -0.140 0.000 0.701 189 A CB -0.759 18.226 19.000 -0.027 0.000 0.789 189 A HN 0.763 nan 8.150 nan 0.000 0.465 190 N N -1.485 117.037 118.700 -0.296 0.000 2.396 190 N HA -0.057 4.682 4.740 -0.000 0.000 0.180 190 N C 0.905 176.330 175.510 -0.141 0.000 1.028 190 N CA 1.441 54.276 53.050 -0.358 0.000 0.893 190 N CB -0.073 38.125 38.487 -0.482 0.000 0.967 190 N HN 0.515 nan 8.380 nan 0.000 0.440 191 C N -1.443 117.745 119.300 -0.187 0.000 3.757 191 C HA 0.277 4.737 4.460 -0.000 0.000 0.358 191 C C -0.163 174.615 174.990 -0.353 0.000 1.484 191 C CA -0.447 58.424 59.018 -0.245 0.000 1.862 191 C CB -0.550 26.994 27.740 -0.327 0.000 2.654 191 C HN 0.369 nan 8.230 nan 0.000 0.699 192 H N 1.141 120.163 119.070 -0.080 0.000 2.572 192 H HA 0.276 4.832 4.556 -0.000 0.000 0.359 192 H C -1.298 174.032 175.328 0.003 0.000 1.134 192 H CA -0.176 55.845 56.048 -0.044 0.000 1.187 192 H CB 1.442 31.126 29.762 -0.131 0.000 1.597 192 H HN 0.109 nan 8.280 nan 0.000 0.524 193 D N 3.813 124.321 120.400 0.179 0.000 2.339 193 D HA 0.062 4.702 4.640 -0.000 0.000 0.256 193 D C -1.717 174.685 176.300 0.170 0.000 1.214 193 D CA -1.881 52.202 54.000 0.138 0.000 0.877 193 D CB 1.485 42.361 40.800 0.125 0.000 1.111 193 D HN 0.194 nan 8.370 nan 0.000 0.478 194 P HA -0.153 nan 4.420 nan 0.000 0.216 194 P C 0.937 178.322 177.300 0.141 0.000 1.150 194 P CA 1.624 64.873 63.100 0.248 0.000 0.843 194 P CB 0.214 32.023 31.700 0.182 0.000 0.787 195 A N -0.700 122.177 122.820 0.095 0.000 1.898 195 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 195 A C 2.172 179.813 177.584 0.096 0.000 1.181 195 A CA 2.591 54.672 52.037 0.073 0.000 0.620 195 A CB -1.683 17.347 19.000 0.051 0.000 0.819 195 A HN 0.360 nan 8.150 nan 0.000 0.442 196 T N -6.518 108.099 114.554 0.104 0.000 2.990 196 T HA 0.269 4.619 4.350 -0.000 0.000 0.250 196 T C 0.839 175.605 174.700 0.109 0.000 1.041 196 T CA 0.736 62.900 62.100 0.106 0.000 1.010 196 T CB 0.372 69.299 68.868 0.099 0.000 1.003 196 T HN 0.288 nan 8.240 nan 0.000 0.499 197 M N 0.074 119.735 119.600 0.101 0.000 2.939 197 M HA -0.144 4.336 4.480 -0.000 0.000 0.194 197 M C -0.190 176.232 176.300 0.204 0.000 0.617 197 M CA 0.513 55.833 55.300 0.034 0.000 0.734 197 M CB -2.586 29.905 32.600 -0.181 0.000 2.637 197 M HN 0.561 nan 8.290 nan 0.000 0.316 198 E N 0.759 121.073 120.200 0.189 0.000 2.418 198 E HA 0.283 4.633 4.350 -0.000 0.000 0.261 198 E C 0.293 177.046 176.600 0.255 0.000 1.070 198 E CA -0.363 56.162 56.400 0.207 0.000 0.931 198 E CB 0.590 30.394 29.700 0.173 0.000 0.954 198 E HN 0.350 nan 8.360 nan 0.000 0.439 199 L N 2.716 124.082 121.223 0.237 0.000 2.499 199 L HA 0.132 4.472 4.340 -0.000 0.000 0.273 199 L C 0.596 177.706 176.870 0.401 0.000 1.195 199 L CA 0.613 55.592 54.840 0.231 0.000 0.882 199 L CB 0.101 42.322 42.059 0.270 0.000 1.133 199 L HN 0.445 nan 8.230 nan 0.000 0.483 200 R N 3.810 124.401 120.500 0.153 0.000 2.626 200 R HA 0.514 4.854 4.340 -0.000 0.000 0.274 200 R C -1.572 174.537 176.300 -0.318 0.000 1.031 200 R CA -0.808 55.246 56.100 -0.078 0.000 0.898 200 R CB 1.618 31.909 30.300 -0.016 0.000 1.222 200 R HN 0.546 nan 8.270 nan 0.000 0.455 201 L N 5.461 126.272 121.223 -0.688 0.000 2.276 201 L HA 0.288 4.628 4.340 -0.000 0.000 0.286 201 L C 0.548 177.254 176.870 -0.274 0.000 1.061 201 L CA -0.434 54.095 54.840 -0.518 0.000 0.807 201 L CB 1.028 42.643 42.059 -0.740 0.000 1.177 201 L HN 0.823 nan 8.230 nan 0.000 0.429 202 Y N 0.848 121.012 120.300 -0.227 0.000 2.497 202 Y HA 0.192 4.742 4.550 -0.000 0.000 0.265 202 Y C 1.256 177.079 175.900 -0.129 0.000 1.111 202 Y CA -0.482 57.518 58.100 -0.166 0.000 1.288 202 Y CB 0.285 38.657 38.460 -0.147 0.000 1.082 202 Y HN 0.500 nan 8.280 nan 0.000 0.536 203 S N 2.023 117.065 115.700 -1.097 0.000 2.455 203 S HA 0.051 4.520 4.470 -0.000 0.000 0.278 203 S C 1.030 175.349 174.600 -0.468 0.000 1.216 203 S CA -0.476 57.116 58.200 -1.013 0.000 1.055 203 S CB 0.385 63.142 63.200 -0.737 0.000 0.939 203 S HN 0.471 nan 8.310 nan 0.000 0.494 204 E N 5.659 125.667 120.200 -0.321 0.000 2.051 204 E HA -0.068 4.282 4.350 -0.000 0.000 0.192 204 E C -0.762 175.651 176.600 -0.311 0.000 0.991 204 E CA 1.291 57.578 56.400 -0.189 0.000 0.799 204 E CB -1.454 28.264 29.700 0.030 0.000 0.748 204 E HN 0.595 nan 8.360 nan 0.000 0.449 205 P HA -0.118 nan 4.420 nan 0.000 0.217 205 P C 1.774 178.574 177.300 -0.833 0.000 1.150 205 P CA 0.807 63.388 63.100 -0.865 0.000 0.832 205 P CB -0.065 30.798 31.700 -1.395 0.000 0.787 206 L N -0.114 120.812 121.223 -0.494 0.000 2.109 206 L HA -0.044 4.296 4.340 -0.000 0.000 0.207 206 L C 2.145 179.030 176.870 0.024 0.000 1.086 206 L CA 1.916 56.744 54.840 -0.020 0.000 0.760 206 L CB -1.019 41.134 42.059 0.157 0.000 0.910 206 L HN -0.206 nan 8.230 nan 0.000 0.437 207 K N -0.606 119.726 120.400 -0.113 0.000 2.097 207 K HA -0.144 4.176 4.320 -0.000 0.000 0.205 207 K C 1.717 178.285 176.600 -0.054 0.000 1.050 207 K CA 1.334 57.573 56.287 -0.079 0.000 0.938 207 K CB -0.202 32.220 32.500 -0.130 0.000 0.718 207 K HN 0.335 nan 8.250 nan 0.000 0.442 208 D N 0.384 120.722 120.400 -0.103 0.000 2.104 208 D HA -0.232 4.408 4.640 -0.000 0.000 0.194 208 D C 1.434 177.736 176.300 0.003 0.000 0.994 208 D CA 0.826 54.776 54.000 -0.083 0.000 0.830 208 D CB -0.341 40.359 40.800 -0.166 0.000 0.959 208 D HN 0.385 nan 8.370 nan 0.000 0.452 209 W N 1.574 122.799 121.300 -0.125 0.000 2.355 209 W HA -0.168 4.492 4.660 -0.000 0.000 0.309 209 W C 1.790 178.378 176.519 0.114 0.000 1.206 209 W CA 0.755 58.111 57.345 0.019 0.000 1.284 209 W CB -0.391 29.134 29.460 0.109 0.000 1.145 209 W HN -0.017 nan 8.180 nan 0.000 0.502 210 L N 0.838 122.022 121.223 -0.066 0.000 2.083 210 L HA -0.248 4.091 4.340 -0.000 0.000 0.209 210 L C 2.723 179.484 176.870 -0.182 0.000 1.083 210 L CA 1.728 56.479 54.840 -0.148 0.000 0.752 210 L CB -0.958 41.148 42.059 0.078 0.000 0.899 210 L HN -0.048 nan 8.230 nan 0.000 0.433 211 K N 0.257 120.589 120.400 -0.112 0.000 2.002 211 K HA -0.177 4.143 4.320 -0.000 0.000 0.209 211 K C 2.344 178.861 176.600 -0.138 0.000 1.048 211 K CA 1.278 57.510 56.287 -0.091 0.000 0.930 211 K CB 0.001 32.469 32.500 -0.054 0.000 0.714 211 K HN 0.153 nan 8.250 nan 0.000 0.438 212 R N 0.229 120.629 120.500 -0.166 0.000 2.103 212 R HA -0.107 4.233 4.340 -0.000 0.000 0.242 212 R C 2.218 178.347 176.300 -0.285 0.000 1.142 212 R CA 1.885 57.882 56.100 -0.171 0.000 0.960 212 R CB -0.323 29.912 30.300 -0.109 0.000 0.858 212 R HN 0.339 nan 8.270 nan 0.000 0.439 213 S N -1.072 114.301 115.700 -0.545 0.000 2.575 213 S HA 0.153 4.623 4.470 -0.000 0.000 0.215 213 S C 1.174 175.607 174.600 -0.277 0.000 0.966 213 S CA 0.278 58.146 58.200 -0.554 0.000 0.911 213 S CB 0.833 63.384 63.200 -1.082 0.000 0.780 213 S HN 0.514 nan 8.310 nan 0.000 0.514 214 G N 1.533 110.214 108.800 -0.198 0.000 2.176 214 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.252 214 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.252 214 G C -0.077 174.783 174.900 -0.067 0.000 1.024 214 G CA 0.257 45.296 45.100 -0.101 0.000 0.755 214 G HN 0.572 nan 8.290 nan 0.000 0.507 215 K N -0.250 120.103 120.400 -0.079 0.000 2.132 215 K HA 0.600 4.920 4.320 -0.000 0.000 0.241 215 K C -0.957 175.666 176.600 0.038 0.000 1.000 215 K CA -0.746 55.539 56.287 -0.003 0.000 0.911 215 K CB 1.246 33.764 32.500 0.030 0.000 1.093 215 K HN 0.117 nan 8.250 nan 0.000 0.460 216 D N 0.449 120.897 120.400 0.081 0.000 2.616 216 D HA 0.037 4.677 4.640 -0.000 0.000 0.238 216 D C 0.347 176.746 176.300 0.166 0.000 1.354 216 D CA -0.559 53.508 54.000 0.112 0.000 0.970 216 D CB 0.561 41.400 40.800 0.065 0.000 1.369 216 D HN 0.656 nan 8.370 nan 0.000 0.585 217 W N 3.313 124.625 121.300 0.021 0.000 2.302 217 W HA -0.298 4.362 4.660 -0.000 0.000 0.320 217 W C 0.996 177.531 176.519 0.027 0.000 1.241 217 W CA 1.543 58.905 57.345 0.028 0.000 1.264 217 W CB 0.195 29.669 29.460 0.023 0.000 1.154 217 W HN 0.539 nan 8.180 nan 0.000 0.483 218 Q N -0.005 119.868 119.800 0.123 0.000 2.234 218 Q HA -0.171 4.169 4.340 -0.000 0.000 0.206 218 Q C 1.847 177.814 176.000 -0.055 0.000 0.980 218 Q CA 1.696 57.507 55.803 0.013 0.000 0.869 218 Q CB -0.299 28.485 28.738 0.077 0.000 0.912 218 Q HN 0.255 nan 8.270 nan 0.000 0.436 219 K N -0.986 119.391 120.400 -0.038 0.000 2.374 219 K HA 0.212 4.532 4.320 -0.000 0.000 0.196 219 K C -0.081 176.473 176.600 -0.077 0.000 1.023 219 K CA -0.144 56.118 56.287 -0.042 0.000 1.103 219 K CB 0.402 32.897 32.500 -0.007 0.000 0.848 219 K HN 0.186 nan 8.250 nan 0.000 0.528 220 M N 1.402 120.910 119.600 -0.152 0.000 2.274 220 M HA 0.052 4.532 4.480 -0.000 0.000 0.344 220 M C 0.404 176.577 176.300 -0.211 0.000 1.161 220 M CA -0.286 54.906 55.300 -0.181 0.000 1.126 220 M CB 1.411 33.855 32.600 -0.260 0.000 1.522 220 M HN -0.003 nan 8.290 nan 0.000 0.461 221 S N 2.156 117.776 115.700 -0.134 0.000 2.579 221 S HA 0.156 4.626 4.470 -0.000 0.000 0.275 221 S C 0.956 175.470 174.600 -0.143 0.000 1.345 221 S CA -0.478 57.658 58.200 -0.107 0.000 1.031 221 S CB 0.894 64.065 63.200 -0.048 0.000 0.892 221 S HN 0.886 nan 8.310 nan 0.000 0.529 222 R N 1.670 122.109 120.500 -0.100 0.000 2.091 222 R HA -0.209 4.131 4.340 -0.000 0.000 0.238 222 R C 2.141 178.416 176.300 -0.042 0.000 1.136 222 R CA 2.054 58.108 56.100 -0.077 0.000 0.959 222 R CB -0.739 29.548 30.300 -0.021 0.000 0.856 222 R HN 0.872 nan 8.270 nan 0.000 0.437 223 N N 0.505 119.197 118.700 -0.013 0.000 2.036 223 N HA -0.259 4.481 4.740 -0.000 0.000 0.195 223 N C 1.651 177.176 175.510 0.025 0.000 1.037 223 N CA 2.125 55.188 53.050 0.021 0.000 0.855 223 N CB -0.159 38.346 38.487 0.031 0.000 1.033 223 N HN 0.375 nan 8.380 nan 0.000 0.423 224 E N -0.016 120.186 120.200 0.003 0.000 2.118 224 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 224 E C 1.563 178.176 176.600 0.022 0.000 0.992 224 E CA 1.139 57.558 56.400 0.032 0.000 0.804 224 E CB 0.040 29.754 29.700 0.023 0.000 0.741 224 E HN 0.376 nan 8.360 nan 0.000 0.458 225 K N -0.066 120.281 120.400 -0.088 0.000 2.211 225 K HA -0.079 4.241 4.320 -0.000 0.000 0.203 225 K C 2.102 178.748 176.600 0.076 0.000 1.050 225 K CA 0.905 57.151 56.287 -0.068 0.000 0.945 225 K CB -0.017 32.286 32.500 -0.329 0.000 0.732 225 K HN 0.035 nan 8.250 nan 0.000 0.451 226 R N -0.092 120.430 120.500 0.036 0.000 2.328 226 R HA -0.025 4.315 4.340 -0.000 0.000 0.207 226 R C 1.520 177.835 176.300 0.024 0.000 1.056 226 R CA 0.913 57.031 56.100 0.030 0.000 1.016 226 R CB 0.099 30.414 30.300 0.025 0.000 0.872 226 R HN 0.101 nan 8.270 nan 0.000 0.471 227 T N -0.009 114.584 114.554 0.064 0.000 3.056 227 T HA 0.161 4.510 4.350 -0.000 0.000 0.241 227 T C 1.602 176.328 174.700 0.044 0.000 1.006 227 T CA 0.035 62.169 62.100 0.056 0.000 1.115 227 T CB 0.231 69.215 68.868 0.192 0.000 0.939 227 T HN 0.047 nan 8.240 nan 0.000 0.462 228 L N 2.218 123.505 121.223 0.106 0.000 2.127 228 L HA -0.116 4.224 4.340 -0.000 0.000 0.211 228 L C 2.729 179.662 176.870 0.104 0.000 1.089 228 L CA 1.196 56.105 54.840 0.116 0.000 0.757 228 L CB -0.892 41.376 42.059 0.348 0.000 0.899 228 L HN 0.254 nan 8.230 nan 0.000 0.434 229 V N -3.831 116.162 119.914 0.132 0.000 2.469 229 V HA -0.269 3.851 4.120 -0.000 0.000 0.251 229 V C 2.277 178.391 176.094 0.033 0.000 1.064 229 V CA 1.807 64.146 62.300 0.064 0.000 1.066 229 V CB -1.345 30.496 31.823 0.030 0.000 0.667 229 V HN 0.502 nan 8.190 nan 0.000 0.461 230 C N 1.136 120.441 119.300 0.009 0.000 2.485 230 C HA 0.419 4.879 4.460 -0.000 0.000 0.278 230 C C 3.140 178.163 174.990 0.055 0.000 1.356 230 C CA 0.315 59.349 59.018 0.027 0.000 1.747 230 C CB -1.383 26.298 27.740 -0.099 0.000 2.001 230 C HN 0.655 nan 8.230 nan 0.000 0.501 231 A N 0.596 123.394 122.820 -0.036 0.000 2.248 231 A HA -0.160 4.160 4.320 -0.000 0.000 0.210 231 A C 2.040 179.627 177.584 0.004 0.000 1.174 231 A CA 0.968 52.940 52.037 -0.108 0.000 0.750 231 A CB -0.569 18.107 19.000 -0.540 0.000 0.780 231 A HN 0.788 nan 8.150 nan 0.000 0.478 232 Q N -1.800 118.034 119.800 0.055 0.000 2.297 232 Q HA -0.079 4.261 4.340 -0.000 0.000 0.204 232 Q C 1.424 177.493 176.000 0.115 0.000 0.962 232 Q CA 1.366 57.231 55.803 0.105 0.000 0.879 232 Q CB -0.092 28.679 28.738 0.054 0.000 0.947 232 Q HN 0.785 nan 8.270 nan 0.000 0.462 233 C N -2.116 117.203 119.300 0.033 0.000 3.264 233 C HA 0.120 4.580 4.460 -0.000 0.000 0.555 233 C C 0.865 175.731 174.990 -0.207 0.000 1.349 233 C CA -0.452 58.521 59.018 -0.075 0.000 2.522 233 C CB 0.050 27.708 27.740 -0.137 0.000 3.588 233 C HN 0.423 nan 8.230 nan 0.000 0.547 234 H N 2.126 121.158 119.070 -0.063 0.000 2.768 234 H HA 0.411 4.967 4.556 -0.000 0.000 0.219 234 H C -0.065 175.308 175.328 0.074 0.000 1.898 234 H CA 0.790 56.822 56.048 -0.027 0.000 1.313 234 H CB -0.205 29.533 29.762 -0.040 0.000 1.701 234 H HN 0.446 nan 8.280 nan 0.000 0.534 235 V N -1.006 119.013 119.914 0.175 0.000 3.206 235 V HA 0.401 4.521 4.120 -0.000 0.000 0.305 235 V C -0.332 175.866 176.094 0.173 0.000 1.257 235 V CA -1.374 61.006 62.300 0.133 0.000 1.057 235 V CB 2.698 34.435 31.823 -0.143 0.000 1.075 235 V HN 0.238 nan 8.190 nan 0.000 0.443 236 E N 1.454 121.722 120.200 0.114 0.000 2.343 236 E HA 0.654 5.004 4.350 -0.000 0.000 0.269 236 E C -0.896 175.743 176.600 0.065 0.000 1.047 236 E CA 0.040 56.461 56.400 0.035 0.000 0.874 236 E CB 1.138 30.860 29.700 0.038 0.000 1.033 236 E HN 1.081 nan 8.360 nan 0.000 0.409 237 Y N 1.174 121.474 120.300 -0.001 0.000 2.744 237 Y HA 0.688 5.238 4.550 -0.000 0.000 0.330 237 Y C -1.606 174.346 175.900 0.087 0.000 1.263 237 Y CA -1.419 56.725 58.100 0.073 0.000 1.065 237 Y CB 0.864 39.420 38.460 0.160 0.000 1.306 237 Y HN 0.605 nan 8.280 nan 0.000 0.459 238 Y N -1.107 119.240 120.300 0.078 0.000 2.670 238 Y HA 0.788 5.338 4.550 -0.000 0.000 0.334 238 Y C -2.463 173.577 175.900 0.234 0.000 1.185 238 Y CA -2.436 55.599 58.100 -0.109 0.000 1.053 238 Y CB 1.154 39.402 38.460 -0.352 0.000 1.298 238 Y HN 0.513 nan 8.280 nan 0.000 0.459 239 F N 1.250 121.415 119.950 0.359 0.000 2.415 239 F HA 0.463 4.990 4.527 -0.000 0.000 0.348 239 F C 0.497 176.499 175.800 0.338 0.000 1.119 239 F CA -1.370 56.770 58.000 0.233 0.000 1.069 239 F CB 1.657 40.848 39.000 0.319 0.000 1.124 239 F HN 0.562 nan 8.300 nan 0.000 0.472 240 T N 3.789 118.503 114.554 0.268 0.000 2.908 240 T HA -0.074 4.276 4.350 -0.000 0.000 0.301 240 T C 0.161 175.122 174.700 0.434 0.000 1.019 240 T CA 0.328 62.623 62.100 0.326 0.000 1.152 240 T CB -0.283 68.643 68.868 0.096 0.000 0.966 240 T HN 0.375 nan 8.240 nan 0.000 0.540 241 H N 3.404 122.749 119.070 0.458 0.000 2.582 241 H HA 0.115 4.671 4.556 -0.000 0.000 0.345 241 H C 1.391 176.846 175.328 0.212 0.000 1.104 241 H CA -0.239 56.002 56.048 0.321 0.000 1.390 241 H CB 0.928 30.869 29.762 0.298 0.000 1.461 241 H HN 0.732 nan 8.280 nan 0.000 0.551 242 K N 2.730 123.080 120.400 -0.083 0.000 2.280 242 K HA -0.134 4.186 4.320 -0.000 0.000 0.202 242 K C 0.466 177.188 176.600 0.204 0.000 1.047 242 K CA 1.643 57.964 56.287 0.057 0.000 0.942 242 K CB 0.228 32.703 32.500 -0.042 0.000 0.739 242 K HN 0.399 nan 8.250 nan 0.000 0.457 243 D N 1.189 121.845 120.400 0.427 0.000 2.264 243 D HA -0.078 4.562 4.640 -0.000 0.000 0.208 243 D C 0.907 177.326 176.300 0.198 0.000 0.966 243 D CA 0.770 54.935 54.000 0.275 0.000 0.864 243 D CB -0.001 40.937 40.800 0.229 0.000 0.933 243 D HN 0.368 nan 8.370 nan 0.000 0.499 244 N N -0.476 118.367 118.700 0.238 0.000 2.184 244 N HA 0.240 4.980 4.740 -0.000 0.000 0.206 244 N C 0.881 176.488 175.510 0.163 0.000 1.151 244 N CA 0.289 53.453 53.050 0.190 0.000 0.878 244 N CB 2.294 40.924 38.487 0.237 0.000 1.014 244 N HN 0.133 nan 8.380 nan 0.000 0.512 245 G N 0.658 109.550 108.800 0.153 0.000 2.321 245 G HA2 0.214 4.174 3.960 -0.000 0.000 0.296 245 G HA3 0.214 4.174 3.960 -0.000 0.000 0.296 245 G C -3.194 171.770 174.900 0.108 0.000 1.287 245 G CA -0.774 44.394 45.100 0.114 0.000 0.846 245 G HN -0.231 nan 8.290 nan 0.000 0.508 246 P HA 0.416 nan 4.420 nan 0.000 0.262 246 P C 0.373 177.737 177.300 0.107 0.000 1.199 246 P CA 0.517 63.693 63.100 0.126 0.000 0.763 246 P CB 0.745 32.557 31.700 0.187 0.000 0.790 247 A N 4.507 127.390 122.820 0.104 0.000 2.580 247 A HA 0.299 4.619 4.320 -0.000 0.000 0.244 247 A C 1.488 179.115 177.584 0.072 0.000 1.045 247 A CA 0.667 52.749 52.037 0.075 0.000 0.761 247 A CB -1.246 17.779 19.000 0.043 0.000 0.962 247 A HN 0.851 nan 8.150 nan 0.000 0.512 248 A N 1.468 124.315 122.820 0.045 0.000 3.396 248 A HA -0.206 4.114 4.320 -0.000 0.000 0.267 248 A C 0.806 178.244 177.584 -0.244 0.000 1.139 248 A CA 1.679 53.674 52.037 -0.070 0.000 1.115 248 A CB -2.253 16.650 19.000 -0.163 0.000 1.133 248 A HN 1.237 nan 8.150 nan 0.000 0.920 249 K N 1.211 121.402 120.400 -0.347 0.000 2.472 249 K HA 0.245 4.565 4.320 -0.000 0.000 0.280 249 K C -2.181 174.035 176.600 -0.641 0.000 1.028 249 K CA -0.808 54.905 56.287 -0.956 0.000 1.045 249 K CB 0.484 32.557 32.500 -0.711 0.000 0.902 249 K HN 0.365 nan 8.250 nan 0.000 0.478 250 P HA 0.037 nan 4.420 nan 0.000 0.276 250 P C -0.997 175.968 177.300 -0.558 0.000 1.230 250 P CA -0.273 62.595 63.100 -0.386 0.000 0.776 250 P CB 1.092 32.576 31.700 -0.360 0.000 0.888 251 V N 4.046 123.618 119.914 -0.571 0.000 2.841 251 V HA 0.394 4.514 4.120 -0.000 0.000 0.310 251 V C -0.175 175.682 176.094 -0.395 0.000 1.090 251 V CA -0.614 61.286 62.300 -0.667 0.000 0.930 251 V CB 2.028 33.352 31.823 -0.832 0.000 1.014 251 V HN 0.397 nan 8.190 nan 0.000 0.425 252 F N 4.659 124.242 119.950 -0.611 0.000 2.391 252 F HA 0.383 4.910 4.527 -0.000 0.000 0.359 252 F C -1.828 173.391 175.800 -0.968 0.000 1.122 252 F CA -2.225 55.199 58.000 -0.960 0.000 1.120 252 F CB 2.112 40.033 39.000 -1.799 0.000 1.142 252 F HN 0.309 nan 8.300 nan 0.000 0.483 253 P HA 0.000 nan 4.420 nan 0.000 0.220 253 P C -0.217 176.658 177.300 -0.708 0.000 1.806 253 P CA 0.016 62.504 63.100 -1.020 0.000 0.976 253 P CB -0.223 30.764 31.700 -1.188 0.000 1.952 254 W N 0.191 121.131 121.300 -0.601 0.000 3.220 254 W HA 0.132 4.792 4.660 -0.000 0.000 0.328 254 W C 0.700 176.996 176.519 -0.372 0.000 1.205 254 W CA -0.267 56.697 57.345 -0.636 0.000 1.773 254 W CB -0.768 28.021 29.460 -1.118 0.000 1.086 254 W HN 0.192 nan 8.180 nan 0.000 0.622 255 D N 0.368 120.869 120.400 0.169 0.000 2.218 255 D HA -0.189 4.451 4.640 -0.000 0.000 0.204 255 D C 1.242 177.670 176.300 0.215 0.000 0.976 255 D CA 1.234 55.452 54.000 0.363 0.000 0.853 255 D CB -0.191 40.873 40.800 0.439 0.000 0.939 255 D HN 0.050 nan 8.370 nan 0.000 0.481 256 N N -0.467 118.323 118.700 0.149 0.000 2.280 256 N HA 0.321 5.061 4.740 -0.000 0.000 0.192 256 N C 0.285 175.773 175.510 -0.037 0.000 1.109 256 N CA 0.507 53.604 53.050 0.078 0.000 0.855 256 N CB 1.286 39.841 38.487 0.114 0.000 0.974 256 N HN 0.196 nan 8.380 nan 0.000 0.482 257 G N -0.504 108.190 108.800 -0.178 0.000 2.408 257 G HA2 -0.147 3.812 3.960 -0.000 0.000 0.682 257 G HA3 -0.147 3.812 3.960 -0.000 0.000 0.682 257 G C -0.420 174.209 174.900 -0.451 0.000 1.303 257 G CA -0.868 44.010 45.100 -0.370 0.000 0.966 257 G HN 0.109 nan 8.290 nan 0.000 0.560 258 F N 0.784 120.644 119.950 -0.149 0.000 2.727 258 F HA 0.270 4.797 4.527 -0.000 0.000 0.302 258 F C 1.414 177.156 175.800 -0.096 0.000 1.097 258 F CA -0.399 57.469 58.000 -0.220 0.000 1.330 258 F CB 0.244 39.010 39.000 -0.389 0.000 1.084 258 F HN 0.234 nan 8.300 nan 0.000 0.578 259 N N 1.702 120.408 118.700 0.010 0.000 2.483 259 N HA 0.132 4.872 4.740 -0.000 0.000 0.269 259 N C -1.739 173.571 175.510 -0.334 0.000 1.209 259 N CA -1.756 51.203 53.050 -0.152 0.000 0.969 259 N CB 0.291 38.695 38.487 -0.138 0.000 1.173 259 N HN -0.200 nan 8.380 nan 0.000 0.475 260 P HA -0.183 nan 4.420 nan 0.000 0.216 260 P C 1.162 178.183 177.300 -0.465 0.000 1.153 260 P CA 1.504 63.971 63.100 -1.054 0.000 0.858 260 P CB 0.385 30.856 31.700 -2.048 0.000 0.789 261 E N -0.002 120.065 120.200 -0.221 0.000 2.077 261 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 261 E C 1.571 178.272 176.600 0.170 0.000 0.989 261 E CA 1.616 58.149 56.400 0.221 0.000 0.800 261 E CB -0.913 28.925 29.700 0.229 0.000 0.746 261 E HN 0.146 nan 8.360 nan 0.000 0.452 262 D N -0.023 120.401 120.400 0.040 0.000 2.097 262 D HA -0.185 4.455 4.640 -0.000 0.000 0.195 262 D C 2.045 178.383 176.300 0.064 0.000 0.989 262 D CA 1.454 55.478 54.000 0.040 0.000 0.827 262 D CB -0.343 40.443 40.800 -0.024 0.000 0.966 262 D HN 0.356 nan 8.370 nan 0.000 0.456 263 M N -0.437 119.187 119.600 0.039 0.000 2.117 263 M HA -0.179 4.301 4.480 -0.000 0.000 0.262 263 M C 2.284 178.687 176.300 0.171 0.000 1.065 263 M CA 1.108 56.423 55.300 0.026 0.000 1.114 263 M CB -0.393 32.260 32.600 0.089 0.000 1.361 263 M HN 0.048 nan 8.290 nan 0.000 0.408 264 Y N 1.576 121.964 120.300 0.147 0.000 2.128 264 Y HA -0.273 4.276 4.550 -0.000 0.000 0.284 264 Y C 2.492 178.491 175.900 0.165 0.000 1.154 264 Y CA 1.695 59.920 58.100 0.209 0.000 1.149 264 Y CB -0.329 38.277 38.460 0.243 0.000 0.976 264 Y HN 0.196 nan 8.280 nan 0.000 0.505 265 Q N -0.719 119.071 119.800 -0.017 0.000 2.084 265 Q HA -0.250 4.090 4.340 -0.000 0.000 0.202 265 Q C 2.204 178.154 176.000 -0.083 0.000 0.978 265 Q CA 2.007 57.740 55.803 -0.116 0.000 0.844 265 Q CB -1.179 27.575 28.738 0.026 0.000 0.898 265 Q HN 0.751 nan 8.270 nan 0.000 0.426 266 Y N 0.328 120.542 120.300 -0.144 0.000 2.114 266 Y HA -0.292 4.257 4.550 -0.000 0.000 0.282 266 Y C 1.454 177.258 175.900 -0.159 0.000 1.165 266 Y CA 1.597 59.589 58.100 -0.180 0.000 1.148 266 Y CB -0.315 37.931 38.460 -0.357 0.000 0.972 266 Y HN 0.052 nan 8.280 nan 0.000 0.504 267 Y N 0.896 121.255 120.300 0.098 0.000 2.619 267 Y HA -0.007 4.543 4.550 -0.000 0.000 0.308 267 Y C 1.794 177.630 175.900 -0.107 0.000 1.192 267 Y CA 0.441 58.545 58.100 0.006 0.000 1.319 267 Y CB -0.546 37.931 38.460 0.029 0.000 1.030 267 Y HN 0.161 nan 8.280 nan 0.000 0.517 268 K N -0.601 119.746 120.400 -0.088 0.000 2.432 268 K HA 0.079 4.399 4.320 -0.000 0.000 0.196 268 K C 1.327 177.857 176.600 -0.116 0.000 1.038 268 K CA 0.577 56.780 56.287 -0.140 0.000 0.986 268 K CB 0.114 32.494 32.500 -0.201 0.000 0.782 268 K HN 0.319 nan 8.250 nan 0.000 0.485 269 G N -1.718 106.998 108.800 -0.140 0.000 3.075 269 G HA2 0.208 4.168 3.960 -0.000 0.000 0.253 269 G HA3 0.208 4.168 3.960 -0.000 0.000 0.253 269 G C -0.586 174.251 174.900 -0.106 0.000 1.353 269 G CA -0.503 44.447 45.100 -0.251 0.000 1.051 269 G HN 0.378 nan 8.290 nan 0.000 0.553 270 H N -2.326 116.696 119.070 -0.080 0.000 3.395 270 H HA -0.188 4.368 4.556 -0.000 0.000 0.222 270 H C 1.199 176.684 175.328 0.262 0.000 1.099 270 H CA 1.013 57.092 56.048 0.053 0.000 1.182 270 H CB -1.635 28.090 29.762 -0.062 0.000 1.188 270 H HN 0.864 nan 8.280 nan 0.000 0.317 271 G N -0.050 108.868 108.800 0.197 0.000 2.543 271 G HA2 0.630 4.590 3.960 -0.000 0.000 0.267 271 G HA3 0.630 4.590 3.960 -0.000 0.000 0.267 271 G C 0.119 174.894 174.900 -0.208 0.000 1.406 271 G CA -0.035 45.092 45.100 0.045 0.000 1.048 271 G HN 0.465 nan 8.290 nan 0.000 0.548 272 A N -0.590 121.943 122.820 -0.479 0.000 2.462 272 A HA 0.418 4.738 4.320 -0.000 0.000 0.243 272 A C 0.511 177.951 177.584 -0.240 0.000 1.076 272 A CA 0.049 51.723 52.037 -0.605 0.000 0.773 272 A CB 0.075 18.760 19.000 -0.526 0.000 1.010 272 A HN 0.522 nan 8.150 nan 0.000 0.493 273 K N 1.185 121.496 120.400 -0.148 0.000 2.270 273 K HA 0.369 4.689 4.320 -0.000 0.000 0.276 273 K C 0.772 177.338 176.600 -0.057 0.000 1.023 273 K CA 0.366 56.610 56.287 -0.071 0.000 0.955 273 K CB 0.879 33.365 32.500 -0.023 0.000 0.975 273 K HN 0.810 nan 8.250 nan 0.000 0.471 274 G N 2.209 110.980 108.800 -0.049 0.000 2.537 274 G HA2 0.118 4.078 3.960 -0.000 0.000 0.273 274 G HA3 0.118 4.078 3.960 -0.000 0.000 0.273 274 G C -1.721 173.167 174.900 -0.020 0.000 1.189 274 G CA -1.395 43.683 45.100 -0.036 0.000 0.881 274 G HN 0.366 nan 8.290 nan 0.000 0.535 275 P HA -0.151 nan 4.420 nan 0.000 0.219 275 P C 1.090 178.386 177.300 -0.006 0.000 1.145 275 P CA 1.597 64.693 63.100 -0.005 0.000 0.813 275 P CB 0.218 31.915 31.700 -0.005 0.000 0.771 276 D N -2.213 118.179 120.400 -0.012 0.000 2.325 276 D HA 0.080 4.720 4.640 -0.000 0.000 0.225 276 D C 1.438 177.729 176.300 -0.015 0.000 1.096 276 D CA 0.378 54.370 54.000 -0.013 0.000 0.844 276 D CB -0.841 39.948 40.800 -0.018 0.000 0.925 276 D HN 0.213 nan 8.370 nan 0.000 0.513 277 G N 1.046 109.838 108.800 -0.013 0.000 2.245 277 G HA2 -0.371 3.588 3.960 -0.000 0.000 0.264 277 G HA3 -0.371 3.588 3.960 -0.000 0.000 0.264 277 G C 0.330 175.216 174.900 -0.024 0.000 0.985 277 G CA 0.538 45.631 45.100 -0.012 0.000 0.625 277 G HN 0.637 nan 8.290 nan 0.000 0.536 278 K N 1.773 122.152 120.400 -0.036 0.000 2.297 278 K HA 0.467 4.787 4.320 -0.000 0.000 0.286 278 K C -2.364 174.194 176.600 -0.069 0.000 1.053 278 K CA -1.866 54.389 56.287 -0.053 0.000 0.940 278 K CB 0.855 33.321 32.500 -0.056 0.000 1.019 278 K HN 0.023 nan 8.250 nan 0.000 0.475 279 P HA 0.015 nan 4.420 nan 0.000 0.267 279 P C -0.311 176.923 177.300 -0.110 0.000 1.209 279 P CA -0.057 62.984 63.100 -0.098 0.000 0.763 279 P CB 1.118 32.748 31.700 -0.117 0.000 0.816 280 G N 4.632 113.369 108.800 -0.105 0.000 2.508 280 G HA2 0.424 4.384 3.960 -0.000 0.000 0.278 280 G HA3 0.424 4.384 3.960 -0.000 0.000 0.278 280 G C -2.602 172.252 174.900 -0.078 0.000 1.389 280 G CA -1.496 43.546 45.100 -0.096 0.000 1.050 280 G HN 0.272 nan 8.290 nan 0.000 0.522 281 P HA 0.181 nan 4.420 nan 0.000 0.271 281 P C -0.638 176.668 177.300 0.009 0.000 1.216 281 P CA -0.347 62.736 63.100 -0.029 0.000 0.776 281 P CB 0.533 32.198 31.700 -0.059 0.000 0.881 282 F N 3.597 123.521 119.950 -0.044 0.000 2.459 282 F HA 0.284 4.811 4.527 -0.000 0.000 0.346 282 F C -0.252 175.464 175.800 -0.140 0.000 1.128 282 F CA 0.520 58.483 58.000 -0.061 0.000 1.268 282 F CB 0.592 39.578 39.000 -0.024 0.000 1.161 282 F HN 0.008 nan 8.300 nan 0.000 0.583 283 V N 6.506 125.975 119.914 -0.742 0.000 2.524 283 V HA 0.141 4.261 4.120 -0.000 0.000 0.297 283 V C -0.011 175.787 176.094 -0.494 0.000 1.035 283 V CA -0.767 61.254 62.300 -0.466 0.000 0.867 283 V CB 1.495 33.126 31.823 -0.321 0.000 1.004 283 V HN 0.792 nan 8.190 nan 0.000 0.426 284 D N 2.997 123.271 120.400 -0.210 0.000 2.162 284 D HA 0.041 4.681 4.640 -0.000 0.000 0.203 284 D C 0.206 176.649 176.300 0.238 0.000 0.967 284 D CA 1.596 55.623 54.000 0.044 0.000 0.840 284 D CB 0.617 41.452 40.800 0.058 0.000 0.972 284 D HN 0.701 nan 8.370 nan 0.000 0.482 285 W N -0.962 120.223 121.300 -0.191 0.000 3.057 285 W HA 0.423 5.083 4.660 -0.000 0.000 0.328 285 W C -2.278 174.203 176.519 -0.064 0.000 1.232 285 W CA -0.954 56.350 57.345 -0.068 0.000 1.187 285 W CB 0.629 30.110 29.460 0.035 0.000 1.417 285 W HN -0.429 nan 8.180 nan 0.000 0.569 286 V N 3.772 123.612 119.914 -0.123 0.000 2.364 286 V HA 0.146 4.266 4.120 -0.000 0.000 0.272 286 V C 0.568 176.572 176.094 -0.151 0.000 1.036 286 V CA -0.501 61.662 62.300 -0.229 0.000 0.880 286 V CB 0.461 32.249 31.823 -0.058 0.000 0.991 286 V HN 0.646 nan 8.190 nan 0.000 0.460 287 H N 4.210 123.053 119.070 -0.379 0.000 3.125 287 H HA 0.009 4.565 4.556 -0.000 0.000 0.310 287 H C 1.220 176.553 175.328 0.009 0.000 0.980 287 H CA 0.587 56.611 56.048 -0.041 0.000 1.422 287 H CB 1.391 31.133 29.762 -0.034 0.000 1.432 287 H HN 0.800 nan 8.280 nan 0.000 0.577 288 A N 4.502 127.214 122.820 -0.181 0.000 2.125 288 A HA -0.064 4.256 4.320 -0.000 0.000 0.219 288 A C 2.131 179.618 177.584 -0.162 0.000 1.156 288 A CA 1.422 53.380 52.037 -0.131 0.000 0.671 288 A CB -0.207 18.715 19.000 -0.131 0.000 0.794 288 A HN 0.779 nan 8.150 nan 0.000 0.459 289 A N -0.429 122.306 122.820 -0.142 0.000 1.944 289 A HA 0.162 4.482 4.320 -0.000 0.000 0.209 289 A C 2.331 179.842 177.584 -0.122 0.000 1.328 289 A CA 1.372 53.203 52.037 -0.343 0.000 0.693 289 A CB -0.675 17.614 19.000 -1.186 0.000 0.994 289 A HN 0.859 nan 8.150 nan 0.000 0.485 290 S N -1.434 114.291 115.700 0.041 0.000 2.496 290 S HA 0.051 4.521 4.470 -0.000 0.000 0.224 290 S C 0.638 175.242 174.600 0.006 0.000 0.996 290 S CA 0.849 59.053 58.200 0.006 0.000 0.927 290 S CB 0.047 63.257 63.200 0.017 0.000 0.774 290 S HN 0.340 nan 8.310 nan 0.000 0.524 291 K N 0.179 120.605 120.400 0.043 0.000 3.209 291 K HA -0.099 4.221 4.320 -0.000 0.000 0.289 291 K C -0.433 176.138 176.600 -0.049 0.000 1.191 291 K CA 0.549 56.834 56.287 -0.003 0.000 0.851 291 K CB -2.878 29.613 32.500 -0.015 0.000 1.242 291 K HN 0.476 nan 8.250 nan 0.000 0.480 292 V N 1.936 121.814 119.914 -0.060 0.000 2.583 292 V HA 0.160 4.280 4.120 -0.000 0.000 0.287 292 V C -1.869 174.091 176.094 -0.222 0.000 1.051 292 V CA -1.439 60.780 62.300 -0.136 0.000 1.010 292 V CB 1.127 32.847 31.823 -0.171 0.000 0.988 292 V HN -0.022 nan 8.190 nan 0.000 0.478 293 P HA 0.225 nan 4.420 nan 0.000 0.275 293 P C -0.529 176.546 177.300 -0.374 0.000 1.276 293 P CA 0.039 62.967 63.100 -0.286 0.000 0.782 293 P CB 0.310 31.893 31.700 -0.195 0.000 0.851 294 M N 3.577 122.795 119.600 -0.637 0.000 2.528 294 M HA 0.472 4.952 4.480 -0.000 0.000 0.318 294 M C 0.082 176.068 176.300 -0.523 0.000 1.195 294 M CA -0.876 53.991 55.300 -0.723 0.000 1.000 294 M CB 1.103 32.800 32.600 -1.505 0.000 1.615 294 M HN 0.146 nan 8.290 nan 0.000 0.469 295 I N 1.776 122.135 120.570 -0.353 0.000 2.404 295 I HA 0.340 4.509 4.170 -0.000 0.000 0.293 295 I C -0.102 175.907 176.117 -0.180 0.000 0.992 295 I CA -0.717 60.414 61.300 -0.282 0.000 1.149 295 I CB 1.625 39.458 38.000 -0.279 0.000 1.315 295 I HN 0.575 nan 8.210 nan 0.000 0.446 296 K N 6.819 127.111 120.400 -0.179 0.000 2.211 296 K HA 0.464 4.784 4.320 -0.000 0.000 0.275 296 K C -0.636 175.769 176.600 -0.326 0.000 1.024 296 K CA -0.351 55.781 56.287 -0.259 0.000 0.887 296 K CB 0.845 33.053 32.500 -0.486 0.000 1.084 296 K HN 0.373 nan 8.250 nan 0.000 0.463 297 M N 3.317 122.737 119.600 -0.301 0.000 2.318 297 M HA 0.295 4.775 4.480 -0.000 0.000 0.347 297 M C -0.820 175.250 176.300 -0.385 0.000 1.175 297 M CA -0.456 54.689 55.300 -0.259 0.000 1.075 297 M CB 1.539 34.060 32.600 -0.132 0.000 1.614 297 M HN 0.603 nan 8.290 nan 0.000 0.456 298 Q N 0.513 120.058 119.800 -0.425 0.000 2.337 298 Q HA 0.335 4.675 4.340 -0.000 0.000 0.270 298 Q C -0.853 174.818 176.000 -0.547 0.000 1.043 298 Q CA -0.601 54.828 55.803 -0.624 0.000 0.794 298 Q CB 1.207 29.452 28.738 -0.822 0.000 1.281 298 Q HN 0.724 nan 8.270 nan 0.000 0.446 299 H N -0.658 118.459 119.070 0.079 0.000 1.694 299 H HA -0.154 4.402 4.556 -0.000 0.000 0.323 299 H C -2.185 173.173 175.328 0.051 0.000 0.802 299 H CA -0.170 55.941 56.048 0.105 0.000 1.074 299 H CB -1.183 28.676 29.762 0.162 0.000 1.518 299 H HN 0.389 nan 8.280 nan 0.000 0.270 300 P HA 0.062 nan 4.420 nan 0.000 0.220 300 P C 0.455 177.747 177.300 -0.014 0.000 1.778 300 P CA -0.074 62.983 63.100 -0.072 0.000 0.912 300 P CB 0.473 31.898 31.700 -0.459 0.000 1.861 301 E N -0.454 119.825 120.200 0.131 0.000 2.058 301 E HA -0.239 4.110 4.350 -0.000 0.000 0.194 301 E C 1.545 178.188 176.600 0.072 0.000 0.997 301 E CA 1.535 58.014 56.400 0.132 0.000 0.801 301 E CB -0.902 28.870 29.700 0.119 0.000 0.746 301 E HN 0.323 nan 8.360 nan 0.000 0.450 302 Y N 1.572 121.839 120.300 -0.055 0.000 2.145 302 Y HA -0.224 4.326 4.550 -0.000 0.000 0.286 302 Y C 1.788 177.554 175.900 -0.222 0.000 1.145 302 Y CA 1.972 60.012 58.100 -0.099 0.000 1.148 302 Y CB -0.171 38.190 38.460 -0.166 0.000 0.981 302 Y HN -0.014 nan 8.280 nan 0.000 0.507 303 E N -0.785 119.186 120.200 -0.382 0.000 2.153 303 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 303 E C 2.147 178.575 176.600 -0.285 0.000 0.988 303 E CA 1.897 57.975 56.400 -0.538 0.000 0.811 303 E CB -0.393 29.215 29.700 -0.152 0.000 0.746 303 E HN 0.424 nan 8.360 nan 0.000 0.466 304 T N 0.341 114.817 114.554 -0.129 0.000 2.770 304 T HA -0.071 4.279 4.350 -0.000 0.000 0.258 304 T C 1.552 176.241 174.700 -0.019 0.000 1.039 304 T CA 1.060 63.165 62.100 0.008 0.000 1.143 304 T CB -0.366 68.533 68.868 0.051 0.000 0.866 304 T HN 0.307 nan 8.240 nan 0.000 0.428 305 F N 3.102 122.931 119.950 -0.201 0.000 2.259 305 F HA -0.111 4.416 4.527 -0.000 0.000 0.298 305 F C 2.347 177.975 175.800 -0.288 0.000 1.088 305 F CA 1.089 58.955 58.000 -0.224 0.000 1.358 305 F CB -0.474 38.321 39.000 -0.342 0.000 1.040 305 F HN 0.107 nan 8.300 nan 0.000 0.505 306 Q N 0.964 120.241 119.800 -0.871 0.000 2.226 306 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 306 Q C 0.847 176.423 176.000 -0.708 0.000 0.975 306 Q CA 1.860 57.014 55.803 -1.081 0.000 0.866 306 Q CB -1.102 26.945 28.738 -1.151 0.000 0.915 306 Q HN 0.653 nan 8.270 nan 0.000 0.440 307 D N -0.586 119.524 120.400 -0.483 0.000 2.538 307 D HA 0.233 4.873 4.640 -0.000 0.000 0.231 307 D C 0.353 176.512 176.300 -0.235 0.000 1.229 307 D CA 0.030 53.855 54.000 -0.292 0.000 0.828 307 D CB -0.283 40.415 40.800 -0.171 0.000 1.035 307 D HN 0.220 nan 8.370 nan 0.000 0.495 308 G N 0.987 109.609 108.800 -0.296 0.000 2.557 308 G HA2 0.375 4.335 3.960 -0.000 0.000 0.292 308 G HA3 0.375 4.335 3.960 -0.000 0.000 0.292 308 G C -1.681 173.103 174.900 -0.192 0.000 1.237 308 G CA -1.324 43.662 45.100 -0.191 0.000 0.978 308 G HN -0.163 nan 8.290 nan 0.000 0.498 309 P HA -0.109 nan 4.420 nan 0.000 0.216 309 P C 0.938 178.080 177.300 -0.264 0.000 1.150 309 P CA 1.396 64.375 63.100 -0.202 0.000 0.843 309 P CB 0.129 31.698 31.700 -0.220 0.000 0.787 310 H N -1.944 117.063 119.070 -0.105 0.000 2.329 310 H HA 0.095 4.651 4.556 -0.000 0.000 0.306 310 H C 2.246 177.490 175.328 -0.140 0.000 1.062 310 H CA 1.621 57.649 56.048 -0.034 0.000 1.364 310 H CB -0.959 28.860 29.762 0.096 0.000 1.409 310 H HN 0.050 nan 8.280 nan 0.000 0.519 311 G N 0.446 109.036 108.800 -0.351 0.000 2.446 311 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.217 311 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.217 311 G C 1.859 176.483 174.900 -0.460 0.000 1.168 311 G CA 0.939 45.486 45.100 -0.921 0.000 0.771 311 G HN 0.500 nan 8.290 nan 0.000 0.551 312 A N 0.687 123.300 122.820 -0.345 0.000 2.070 312 A HA 0.366 4.686 4.320 -0.000 0.000 0.220 312 A C 2.485 179.990 177.584 -0.132 0.000 1.159 312 A CA 1.925 53.834 52.037 -0.213 0.000 0.656 312 A CB -0.353 18.544 19.000 -0.172 0.000 0.800 312 A HN 0.825 nan 8.150 nan 0.000 0.453 313 A N -1.923 120.829 122.820 -0.112 0.000 2.275 313 A HA 0.442 4.762 4.320 -0.000 0.000 0.212 313 A C 1.629 179.200 177.584 -0.022 0.000 1.201 313 A CA 1.037 53.038 52.037 -0.060 0.000 0.843 313 A CB -0.765 18.199 19.000 -0.060 0.000 0.873 313 A HN 1.806 nan 8.150 nan 0.000 0.492 314 G N -1.291 107.496 108.800 -0.022 0.000 2.132 314 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.234 314 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.234 314 G C 0.123 175.072 174.900 0.081 0.000 0.989 314 G CA 0.081 45.194 45.100 0.023 0.000 0.676 314 G HN 0.724 nan 8.290 nan 0.000 0.522 315 V N 1.599 121.584 119.914 0.120 0.000 2.649 315 V HA 0.627 4.747 4.120 -0.000 0.000 0.292 315 V C 1.059 177.336 176.094 0.305 0.000 1.055 315 V CA 0.309 62.731 62.300 0.202 0.000 1.023 315 V CB 1.561 33.555 31.823 0.285 0.000 0.992 315 V HN 0.979 nan 8.190 nan 0.000 0.480 316 S N 2.783 118.609 115.700 0.211 0.000 2.681 316 S HA 0.235 4.705 4.470 -0.000 0.000 0.299 316 S C 1.075 175.671 174.600 -0.006 0.000 1.113 316 S CA -0.538 57.762 58.200 0.165 0.000 1.013 316 S CB 1.306 64.561 63.200 0.091 0.000 1.076 316 S HN 0.725 nan 8.310 nan 0.000 0.534 317 C N 1.151 120.325 119.300 -0.211 0.000 2.401 317 C HA -0.059 4.401 4.460 -0.000 0.000 0.276 317 C C 3.151 178.100 174.990 -0.068 0.000 1.233 317 C CA 1.209 60.066 59.018 -0.269 0.000 1.753 317 C CB -2.142 25.383 27.740 -0.359 0.000 2.029 317 C HN 1.003 nan 8.230 nan 0.000 0.478 318 A N 0.875 123.652 122.820 -0.072 0.000 1.972 318 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 318 A C 1.772 179.302 177.584 -0.091 0.000 1.169 318 A CA 2.026 54.017 52.037 -0.078 0.000 0.635 318 A CB -0.540 18.407 19.000 -0.087 0.000 0.810 318 A HN 0.571 nan 8.150 nan 0.000 0.446 319 D N -0.507 119.865 120.400 -0.048 0.000 2.149 319 D HA -0.133 4.507 4.640 -0.000 0.000 0.198 319 D C 1.852 178.113 176.300 -0.066 0.000 0.990 319 D CA 1.610 55.589 54.000 -0.035 0.000 0.839 319 D CB -0.338 40.485 40.800 0.038 0.000 0.948 319 D HN 0.496 nan 8.370 nan 0.000 0.460 320 C N -0.784 118.462 119.300 -0.090 0.000 2.558 320 C HA 0.096 4.556 4.460 -0.000 0.000 0.288 320 C C 2.136 176.936 174.990 -0.316 0.000 1.338 320 C CA -0.146 58.753 59.018 -0.198 0.000 1.760 320 C CB -0.475 27.107 27.740 -0.264 0.000 2.159 320 C HN 0.430 nan 8.230 nan 0.000 0.518 321 H N -0.798 118.188 119.070 -0.141 0.000 2.648 321 H HA 0.292 4.848 4.556 -0.000 0.000 0.265 321 H C 0.680 175.911 175.328 -0.162 0.000 0.961 321 H CA 0.722 56.672 56.048 -0.164 0.000 1.185 321 H CB 0.284 29.940 29.762 -0.177 0.000 1.449 321 H HN 0.435 nan 8.280 nan 0.000 0.523 322 M N 2.375 121.925 119.600 -0.083 0.000 3.200 322 M HA 0.102 4.582 4.480 -0.000 0.000 0.335 322 M C -0.171 175.985 176.300 -0.239 0.000 1.446 322 M CA -0.247 54.967 55.300 -0.144 0.000 0.691 322 M CB 1.336 33.819 32.600 -0.195 0.000 1.409 322 M HN 0.124 nan 8.290 nan 0.000 0.488 323 Q N 0.090 119.786 119.800 -0.174 0.000 2.369 323 Q HA 0.037 4.377 4.340 -0.000 0.000 0.295 323 Q C -1.296 174.586 176.000 -0.196 0.000 1.075 323 Q CA 0.482 56.178 55.803 -0.178 0.000 0.941 323 Q CB 0.414 29.123 28.738 -0.048 0.000 1.260 323 Q HN 0.333 nan 8.270 nan 0.000 0.417 324 Y N 1.067 121.403 120.300 0.061 0.000 2.442 324 Y HA 0.289 4.839 4.550 -0.000 0.000 0.330 324 Y C 0.489 176.435 175.900 0.077 0.000 1.129 324 Y CA -0.256 57.888 58.100 0.073 0.000 1.365 324 Y CB 0.901 39.398 38.460 0.062 0.000 1.233 324 Y HN 0.499 nan 8.280 nan 0.000 0.529 325 V N 1.265 121.318 119.914 0.231 0.000 2.962 325 V HA 0.656 4.776 4.120 -0.000 0.000 0.313 325 V C -0.742 175.443 176.094 0.152 0.000 1.099 325 V CA -1.609 60.791 62.300 0.167 0.000 0.971 325 V CB 2.253 34.166 31.823 0.149 0.000 1.028 325 V HN 0.712 nan 8.190 nan 0.000 0.430 326 R N 1.556 122.126 120.500 0.117 0.000 2.246 326 R HA 0.604 4.944 4.340 -0.000 0.000 0.332 326 R C -0.838 175.511 176.300 0.081 0.000 0.974 326 R CA -0.214 55.942 56.100 0.095 0.000 0.837 326 R CB 1.011 31.356 30.300 0.076 0.000 1.145 326 R HN 0.939 nan 8.270 nan 0.000 0.467 327 E N 3.150 123.399 120.200 0.081 0.000 2.260 327 E HA 0.121 4.471 4.350 -0.000 0.000 0.266 327 E C -1.352 175.283 176.600 0.059 0.000 0.887 327 E CA -0.836 55.605 56.400 0.068 0.000 0.777 327 E CB 1.730 31.475 29.700 0.075 0.000 1.205 327 E HN 0.530 nan 8.360 nan 0.000 0.414 328 D N 2.467 122.894 120.400 0.045 0.000 3.082 328 D HA -0.190 4.450 4.640 -0.000 0.000 0.234 328 D C 0.855 177.177 176.300 0.037 0.000 1.159 328 D CA 1.682 55.704 54.000 0.037 0.000 0.875 328 D CB -1.242 39.580 40.800 0.035 0.000 0.946 328 D HN 1.027 nan 8.370 nan 0.000 0.411 329 G N 0.229 109.050 108.800 0.035 0.000 2.179 329 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.260 329 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.260 329 G C 0.319 175.241 174.900 0.038 0.000 0.977 329 G CA 1.496 46.615 45.100 0.032 0.000 0.641 329 G HN 1.036 nan 8.290 nan 0.000 0.533 330 K N -1.669 118.761 120.400 0.049 0.000 2.809 330 K HA 0.540 4.860 4.320 -0.000 0.000 0.293 330 K C -1.072 175.575 176.600 0.078 0.000 1.061 330 K CA -0.850 55.470 56.287 0.057 0.000 0.837 330 K CB 0.509 33.041 32.500 0.054 0.000 1.524 330 K HN 0.174 nan 8.250 nan 0.000 0.370 331 K N 2.439 122.887 120.400 0.081 0.000 2.273 331 K HA 0.291 4.611 4.320 -0.000 0.000 0.287 331 K C -0.418 176.282 176.600 0.166 0.000 1.089 331 K CA -0.611 55.744 56.287 0.112 0.000 0.909 331 K CB -0.118 32.420 32.500 0.064 0.000 1.123 331 K HN 0.533 nan 8.250 nan 0.000 0.473 332 I N -0.308 120.386 120.570 0.208 0.000 2.863 332 I HA 0.402 4.572 4.170 -0.000 0.000 0.311 332 I C -0.348 175.958 176.117 0.315 0.000 1.026 332 I CA -0.910 60.537 61.300 0.245 0.000 1.077 332 I CB 2.106 40.222 38.000 0.194 0.000 1.262 332 I HN 0.189 nan 8.210 nan 0.000 0.461 333 S N 2.447 118.335 115.700 0.313 0.000 2.448 333 S HA 0.152 4.622 4.470 -0.000 0.000 0.279 333 S C 0.129 174.882 174.600 0.256 0.000 1.195 333 S CA -0.393 57.911 58.200 0.174 0.000 1.051 333 S CB 0.509 63.785 63.200 0.127 0.000 0.948 333 S HN 0.718 nan 8.310 nan 0.000 0.493 334 S N 2.314 118.100 115.700 0.142 0.000 2.537 334 S HA 0.025 4.495 4.470 -0.000 0.000 0.286 334 S C 0.205 174.940 174.600 0.225 0.000 1.299 334 S CA -0.093 58.237 58.200 0.217 0.000 1.067 334 S CB 0.102 63.404 63.200 0.170 0.000 0.864 334 S HN 0.725 nan 8.310 nan 0.000 0.494 335 H N 2.964 122.148 119.070 0.189 0.000 2.487 335 H HA 0.246 4.802 4.556 -0.000 0.000 0.290 335 H C -0.868 174.632 175.328 0.286 0.000 1.081 335 H CA -0.369 55.825 56.048 0.244 0.000 1.116 335 H CB 0.027 29.962 29.762 0.288 0.000 1.560 335 H HN 0.659 nan 8.280 nan 0.000 0.548 336 W N 2.585 123.936 121.300 0.085 0.000 2.422 336 W HA 0.290 4.950 4.660 -0.000 0.000 0.349 336 W C -0.810 175.686 176.519 -0.039 0.000 1.062 336 W CA -1.487 55.852 57.345 -0.010 0.000 1.497 336 W CB -0.398 29.058 29.460 -0.007 0.000 1.407 336 W HN 0.055 nan 8.180 nan 0.000 0.393 337 M N 7.089 126.710 119.600 0.034 0.000 2.111 337 M HA 0.272 4.752 4.480 -0.000 0.000 0.351 337 M C 0.294 176.441 176.300 -0.255 0.000 1.214 337 M CA 0.173 55.392 55.300 -0.135 0.000 1.120 337 M CB 0.975 33.496 32.600 -0.132 0.000 1.443 337 M HN 0.321 nan 8.290 nan 0.000 0.429 338 T N 0.224 114.604 114.554 -0.290 0.000 2.637 338 T HA 0.312 4.662 4.350 -0.000 0.000 0.303 338 T C -1.085 173.488 174.700 -0.212 0.000 1.288 338 T CA -0.598 61.309 62.100 -0.322 0.000 1.040 338 T CB 1.652 70.141 68.868 -0.631 0.000 1.644 338 T HN 0.495 nan 8.240 nan 0.000 0.480 339 S N 1.333 116.896 115.700 -0.227 0.000 2.505 339 S HA 0.355 4.825 4.470 -0.000 0.000 0.276 339 S C -1.786 172.648 174.600 -0.276 0.000 1.274 339 S CA -1.018 57.083 58.200 -0.164 0.000 1.053 339 S CB 0.784 63.914 63.200 -0.116 0.000 0.919 339 S HN 0.457 nan 8.310 nan 0.000 0.490 340 P HA -0.015 nan 4.420 nan 0.000 0.226 340 P C 1.167 178.327 177.300 -0.233 0.000 1.153 340 P CA 0.808 63.725 63.100 -0.304 0.000 0.777 340 P CB 0.093 31.582 31.700 -0.351 0.000 0.794 341 M N -1.149 118.331 119.600 -0.199 0.000 2.686 341 M HA -0.020 4.460 4.480 -0.000 0.000 0.246 341 M C 1.392 177.624 176.300 -0.114 0.000 1.096 341 M CA 1.115 56.326 55.300 -0.149 0.000 1.076 341 M CB -0.818 31.711 32.600 -0.119 0.000 1.504 341 M HN 0.045 nan 8.290 nan 0.000 0.524 342 K N 0.137 120.451 120.400 -0.144 0.000 2.288 342 K HA -0.084 4.236 4.320 -0.000 0.000 0.201 342 K C 0.460 177.031 176.600 -0.049 0.000 1.048 342 K CA 0.509 56.739 56.287 -0.096 0.000 0.956 342 K CB 0.042 32.457 32.500 -0.142 0.000 0.746 342 K HN 0.156 nan 8.250 nan 0.000 0.461 343 D N 0.655 121.012 120.400 -0.073 0.000 2.347 343 D HA 0.084 4.724 4.640 -0.000 0.000 0.235 343 D C -2.027 174.261 176.300 -0.021 0.000 1.149 343 D CA -2.599 51.387 54.000 -0.024 0.000 0.850 343 D CB 1.573 42.354 40.800 -0.031 0.000 1.061 343 D HN -0.183 nan 8.370 nan 0.000 0.487 344 P HA -0.098 nan 4.420 nan 0.000 0.219 344 P C 0.695 177.998 177.300 0.006 0.000 1.146 344 P CA 0.873 63.974 63.100 0.001 0.000 0.808 344 P CB 0.402 32.110 31.700 0.013 0.000 0.779 345 E N -1.317 118.892 120.200 0.014 0.000 2.474 345 E HA 0.111 4.461 4.350 -0.000 0.000 0.194 345 E C 0.532 177.143 176.600 0.018 0.000 1.041 345 E CA 0.134 56.547 56.400 0.023 0.000 0.874 345 E CB -0.225 29.494 29.700 0.033 0.000 0.914 345 E HN 0.114 nan 8.360 nan 0.000 0.498 346 M N 0.896 120.493 119.600 -0.005 0.000 2.206 346 M HA -0.259 4.221 4.480 -0.000 0.000 0.197 346 M C 0.699 177.003 176.300 0.008 0.000 0.375 346 M CA 0.557 55.844 55.300 -0.020 0.000 0.410 346 M CB -1.573 31.013 32.600 -0.024 0.000 1.204 346 M HN 0.105 nan 8.290 nan 0.000 0.932 347 R N 0.196 120.706 120.500 0.017 0.000 2.117 347 R HA -0.019 4.321 4.340 -0.000 0.000 0.243 347 R C 2.079 178.400 176.300 0.036 0.000 1.143 347 R CA 1.799 57.922 56.100 0.038 0.000 0.968 347 R CB -0.623 29.707 30.300 0.048 0.000 0.863 347 R HN 0.678 nan 8.270 nan 0.000 0.444 348 A N 0.088 122.908 122.820 0.000 0.000 2.178 348 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 348 A C 2.122 179.713 177.584 0.012 0.000 1.157 348 A CA 1.233 53.259 52.037 -0.018 0.000 0.689 348 A CB -0.400 18.545 19.000 -0.091 0.000 0.787 348 A HN 0.428 nan 8.150 nan 0.000 0.465 349 C N -2.096 117.233 119.300 0.049 0.000 2.820 349 C HA 0.215 4.675 4.460 -0.000 0.000 0.323 349 C C 2.162 177.269 174.990 0.195 0.000 1.279 349 C CA -0.127 58.976 59.018 0.143 0.000 1.790 349 C CB -0.852 26.970 27.740 0.137 0.000 2.328 349 C HN 0.594 nan 8.230 nan 0.000 0.579 350 R N 2.013 122.591 120.500 0.131 0.000 2.313 350 R HA -0.031 4.309 4.340 -0.000 0.000 0.199 350 R C 2.153 178.508 176.300 0.092 0.000 0.958 350 R CA 0.386 56.563 56.100 0.128 0.000 1.047 350 R CB -0.130 30.230 30.300 0.100 0.000 0.955 350 R HN 0.676 nan 8.270 nan 0.000 0.481 351 Q N -0.747 119.103 119.800 0.084 0.000 2.432 351 Q HA -0.034 4.306 4.340 -0.000 0.000 0.205 351 Q C 1.100 177.120 176.000 0.034 0.000 0.945 351 Q CA 0.938 56.783 55.803 0.069 0.000 0.924 351 Q CB 0.211 29.008 28.738 0.099 0.000 1.016 351 Q HN 0.288 nan 8.270 nan 0.000 0.503 352 C N -0.084 119.216 119.300 -0.001 0.000 2.735 352 C HA 0.234 4.694 4.460 -0.000 0.000 0.444 352 C C 0.936 175.782 174.990 -0.240 0.000 1.331 352 C CA -0.226 58.711 59.018 -0.134 0.000 2.225 352 C CB -0.130 27.489 27.740 -0.202 0.000 2.917 352 C HN 0.493 nan 8.230 nan 0.000 0.567 353 H N 0.881 120.004 119.070 0.088 0.000 2.423 353 H HA 0.369 4.924 4.556 -0.000 0.000 0.227 353 H C 1.234 176.600 175.328 0.063 0.000 1.596 353 H CA 0.419 56.518 56.048 0.085 0.000 1.207 353 H CB 0.142 29.976 29.762 0.121 0.000 1.595 353 H HN 0.408 nan 8.280 nan 0.000 0.534 354 A N 1.495 124.377 122.820 0.103 0.000 2.019 354 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 354 A C 1.782 179.404 177.584 0.064 0.000 1.164 354 A CA 1.580 53.661 52.037 0.074 0.000 0.644 354 A CB -0.063 18.963 19.000 0.043 0.000 0.805 354 A HN 0.473 nan 8.150 nan 0.000 0.449 355 D N -0.852 119.584 120.400 0.060 0.000 2.328 355 D HA 0.051 4.691 4.640 -0.000 0.000 0.226 355 D C 0.034 176.334 176.300 0.001 0.000 1.066 355 D CA 0.260 54.273 54.000 0.022 0.000 0.861 355 D CB 0.059 40.862 40.800 0.004 0.000 0.912 355 D HN 0.082 nan 8.370 nan 0.000 0.521 356 K N 0.643 121.071 120.400 0.046 0.000 2.207 356 K HA 0.355 4.675 4.320 -0.000 0.000 0.255 356 K C 0.365 177.012 176.600 0.078 0.000 0.941 356 K CA -0.522 55.784 56.287 0.033 0.000 0.825 356 K CB 1.681 34.254 32.500 0.122 0.000 1.119 356 K HN 0.151 nan 8.250 nan 0.000 0.430 357 T N -2.195 112.409 114.554 0.083 0.000 2.882 357 T HA 0.218 4.568 4.350 -0.000 0.000 0.287 357 T C 1.538 176.306 174.700 0.113 0.000 1.014 357 T CA -0.175 61.978 62.100 0.089 0.000 1.049 357 T CB 1.138 70.054 68.868 0.081 0.000 1.001 357 T HN 0.576 nan 8.240 nan 0.000 0.525 358 G N 0.320 109.164 108.800 0.072 0.000 2.446 358 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 358 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 358 G C 1.342 176.265 174.900 0.038 0.000 1.168 358 G CA 0.989 46.116 45.100 0.046 0.000 0.771 358 G HN 0.820 nan 8.290 nan 0.000 0.551 359 E N -0.102 120.129 120.200 0.052 0.000 2.085 359 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 359 E C 2.035 178.662 176.600 0.045 0.000 0.994 359 E CA 1.174 57.598 56.400 0.040 0.000 0.801 359 E CB -0.608 29.123 29.700 0.051 0.000 0.743 359 E HN 0.522 nan 8.360 nan 0.000 0.453 360 Y N 0.497 120.792 120.300 -0.009 0.000 2.128 360 Y HA -0.197 4.353 4.550 -0.000 0.000 0.284 360 Y C 1.953 177.835 175.900 -0.029 0.000 1.154 360 Y CA 2.049 60.141 58.100 -0.013 0.000 1.149 360 Y CB -0.363 38.090 38.460 -0.012 0.000 0.976 360 Y HN 0.070 nan 8.280 nan 0.000 0.505 361 L N -0.181 121.015 121.223 -0.044 0.000 2.017 361 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 361 L C 2.657 179.402 176.870 -0.209 0.000 1.073 361 L CA 1.675 56.427 54.840 -0.146 0.000 0.745 361 L CB -0.565 41.470 42.059 -0.040 0.000 0.894 361 L HN 0.135 nan 8.230 nan 0.000 0.432 362 R N -0.286 120.127 120.500 -0.144 0.000 2.091 362 R HA -0.215 4.125 4.340 -0.000 0.000 0.238 362 R C 2.324 178.547 176.300 -0.128 0.000 1.136 362 R CA 1.630 57.650 56.100 -0.134 0.000 0.959 362 R CB -0.366 29.887 30.300 -0.077 0.000 0.856 362 R HN 0.499 nan 8.270 nan 0.000 0.437 363 Q N -0.321 119.392 119.800 -0.144 0.000 2.167 363 Q HA -0.077 4.263 4.340 -0.000 0.000 0.202 363 Q C 1.998 177.930 176.000 -0.113 0.000 0.970 363 Q CA 0.893 56.631 55.803 -0.108 0.000 0.855 363 Q CB 0.113 28.784 28.738 -0.111 0.000 0.911 363 Q HN 0.137 nan 8.270 nan 0.000 0.438 364 R N -0.131 120.211 120.500 -0.262 0.000 2.153 364 R HA -0.009 4.331 4.340 -0.000 0.000 0.218 364 R C 2.111 178.415 176.300 0.006 0.000 1.072 364 R CA 0.538 56.527 56.100 -0.185 0.000 0.990 364 R CB -0.637 29.459 30.300 -0.341 0.000 0.889 364 R HN 0.151 nan 8.270 nan 0.000 0.452 365 V N 1.371 121.234 119.914 -0.084 0.000 2.323 365 V HA -0.161 3.958 4.120 -0.000 0.000 0.244 365 V C 2.384 178.490 176.094 0.021 0.000 1.041 365 V CA 1.405 63.641 62.300 -0.107 0.000 1.025 365 V CB -0.429 31.143 31.823 -0.418 0.000 0.656 365 V HN 0.158 nan 8.190 nan 0.000 0.451 366 L N -1.284 119.948 121.223 0.016 0.000 2.191 366 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 366 L C 2.430 179.346 176.870 0.076 0.000 1.103 366 L CA 1.661 56.540 54.840 0.065 0.000 0.769 366 L CB -0.735 41.373 42.059 0.082 0.000 0.908 366 L HN 0.389 nan 8.230 nan 0.000 0.438 367 Y N 0.916 121.208 120.300 -0.014 0.000 2.165 367 Y HA -0.319 4.231 4.550 -0.000 0.000 0.286 367 Y C 2.639 178.544 175.900 0.008 0.000 1.155 367 Y CA 2.284 60.382 58.100 -0.004 0.000 1.164 367 Y CB -0.170 38.280 38.460 -0.017 0.000 0.978 367 Y HN 0.048 nan 8.280 nan 0.000 0.513 368 T N -0.076 114.590 114.554 0.187 0.000 2.809 368 T HA -0.145 4.205 4.350 -0.000 0.000 0.260 368 T C 1.705 176.395 174.700 -0.016 0.000 1.039 368 T CA 1.479 63.645 62.100 0.110 0.000 1.141 368 T CB -0.167 68.818 68.868 0.196 0.000 0.869 368 T HN 0.409 nan 8.240 nan 0.000 0.437 369 Q N 0.759 120.523 119.800 -0.061 0.000 2.135 369 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 369 Q C 2.515 178.242 176.000 -0.454 0.000 0.981 369 Q CA 1.114 56.747 55.803 -0.283 0.000 0.856 369 Q CB -0.178 28.323 28.738 -0.396 0.000 0.902 369 Q HN 0.425 nan 8.270 nan 0.000 0.425 370 Q N 1.648 121.284 119.800 -0.273 0.000 2.050 370 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 370 Q C 1.652 177.600 176.000 -0.086 0.000 0.980 370 Q CA 1.640 57.364 55.803 -0.132 0.000 0.840 370 Q CB 0.043 28.770 28.738 -0.019 0.000 0.898 370 Q HN 0.307 nan 8.270 nan 0.000 0.424 371 K N -0.531 119.800 120.400 -0.116 0.000 2.057 371 K HA -0.072 4.248 4.320 -0.000 0.000 0.206 371 K C 2.240 178.809 176.600 -0.051 0.000 1.050 371 K CA 1.754 57.988 56.287 -0.089 0.000 0.935 371 K CB -0.093 32.336 32.500 -0.118 0.000 0.715 371 K HN 0.216 nan 8.250 nan 0.000 0.439 372 T N 0.995 115.519 114.554 -0.051 0.000 2.737 372 T HA -0.141 4.208 4.350 -0.000 0.000 0.265 372 T C 1.480 176.172 174.700 -0.013 0.000 1.038 372 T CA 1.177 63.266 62.100 -0.018 0.000 1.144 372 T CB -0.324 68.543 68.868 -0.002 0.000 0.866 372 T HN 0.181 nan 8.240 nan 0.000 0.434 373 F N 2.380 122.213 119.950 -0.196 0.000 2.102 373 F HA -0.130 4.397 4.527 -0.000 0.000 0.298 373 F C 1.927 177.685 175.800 -0.070 0.000 1.105 373 F CA 1.372 59.283 58.000 -0.149 0.000 1.239 373 F CB -0.315 38.520 39.000 -0.275 0.000 0.991 373 F HN 0.042 nan 8.300 nan 0.000 0.474 374 D N -0.153 120.247 120.400 0.000 0.000 2.117 374 D HA -0.177 4.463 4.640 -0.000 0.000 0.197 374 D C 2.230 178.447 176.300 -0.138 0.000 0.987 374 D CA 1.190 55.151 54.000 -0.065 0.000 0.829 374 D CB -0.437 40.371 40.800 0.012 0.000 0.961 374 D HN 0.383 nan 8.370 nan 0.000 0.460 375 Q N -0.067 119.674 119.800 -0.099 0.000 2.172 375 Q HA -0.054 4.286 4.340 -0.000 0.000 0.200 375 Q C 2.333 178.269 176.000 -0.108 0.000 0.964 375 Q CA 0.235 55.990 55.803 -0.080 0.000 0.855 375 Q CB -0.376 28.340 28.738 -0.035 0.000 0.918 375 Q HN 0.288 nan 8.270 nan 0.000 0.444 376 L N 0.707 121.843 121.223 -0.144 0.000 2.012 376 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 376 L C 2.081 178.795 176.870 -0.259 0.000 1.073 376 L CA 1.572 56.323 54.840 -0.149 0.000 0.748 376 L CB -0.746 41.230 42.059 -0.138 0.000 0.891 376 L HN 0.134 nan 8.230 nan 0.000 0.431 377 L N -0.712 120.286 121.223 -0.374 0.000 2.079 377 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 377 L C 2.593 179.335 176.870 -0.213 0.000 1.081 377 L CA 1.671 56.312 54.840 -0.332 0.000 0.752 377 L CB -0.630 41.210 42.059 -0.364 0.000 0.896 377 L HN 0.352 nan 8.230 nan 0.000 0.433 378 K N -0.095 120.203 120.400 -0.170 0.000 2.062 378 K HA -0.053 4.267 4.320 -0.000 0.000 0.205 378 K C 2.238 178.763 176.600 -0.124 0.000 1.051 378 K CA 1.134 57.351 56.287 -0.117 0.000 0.941 378 K CB -0.180 32.270 32.500 -0.083 0.000 0.719 378 K HN 0.231 nan 8.250 nan 0.000 0.440 379 A N 1.434 124.179 122.820 -0.125 0.000 1.972 379 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 379 A C 2.001 179.434 177.584 -0.252 0.000 1.169 379 A CA 1.315 53.292 52.037 -0.101 0.000 0.635 379 A CB -0.352 18.652 19.000 0.007 0.000 0.810 379 A HN 0.292 nan 8.150 nan 0.000 0.446 380 Q N -0.611 118.941 119.800 -0.413 0.000 2.083 380 Q HA -0.142 4.198 4.340 -0.000 0.000 0.198 380 Q C 1.967 177.723 176.000 -0.407 0.000 0.969 380 Q CA 1.396 56.806 55.803 -0.654 0.000 0.838 380 Q CB -0.133 28.194 28.738 -0.684 0.000 0.900 380 Q HN 0.740 nan 8.270 nan 0.000 0.436 381 E N 0.309 120.374 120.200 -0.225 0.000 2.077 381 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 381 E C 1.910 178.387 176.600 -0.205 0.000 0.989 381 E CA 1.118 57.411 56.400 -0.180 0.000 0.800 381 E CB -0.100 29.579 29.700 -0.036 0.000 0.746 381 E HN 0.233 nan 8.360 nan 0.000 0.452 382 M N 0.689 120.200 119.600 -0.149 0.000 2.213 382 M HA -0.123 4.356 4.480 -0.000 0.000 0.263 382 M C 2.272 178.516 176.300 -0.093 0.000 1.062 382 M CA 1.283 56.521 55.300 -0.104 0.000 1.105 382 M CB -0.202 32.355 32.600 -0.072 0.000 1.385 382 M HN -0.077 nan 8.290 nan 0.000 0.417 383 S N -0.955 114.688 115.700 -0.095 0.000 2.368 383 S HA -0.088 4.382 4.470 -0.000 0.000 0.224 383 S C 1.836 176.476 174.600 0.066 0.000 1.029 383 S CA 1.393 59.611 58.200 0.030 0.000 0.988 383 S CB -0.414 62.900 63.200 0.191 0.000 0.838 383 S HN 0.371 nan 8.310 nan 0.000 0.462 384 V N 2.001 121.829 119.914 -0.142 0.000 2.287 384 V HA -0.170 3.950 4.120 -0.000 0.000 0.248 384 V C 2.532 178.585 176.094 -0.069 0.000 1.053 384 V CA 2.223 64.395 62.300 -0.213 0.000 1.027 384 V CB -0.666 30.616 31.823 -0.901 0.000 0.646 384 V HN 0.506 nan 8.190 nan 0.000 0.447 385 K N 0.045 120.368 120.400 -0.127 0.000 2.103 385 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 385 K C 2.178 178.771 176.600 -0.012 0.000 1.048 385 K CA 1.509 57.761 56.287 -0.058 0.000 0.930 385 K CB -0.325 32.133 32.500 -0.071 0.000 0.716 385 K HN 0.451 nan 8.250 nan 0.000 0.444 386 A N 0.850 123.647 122.820 -0.038 0.000 1.877 386 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 386 A C 1.914 179.443 177.584 -0.090 0.000 1.186 386 A CA 1.483 53.466 52.037 -0.091 0.000 0.620 386 A CB -0.829 18.080 19.000 -0.152 0.000 0.822 386 A HN 0.394 nan 8.150 nan 0.000 0.443 387 H N -1.039 118.018 119.070 -0.022 0.000 2.321 387 H HA -0.132 4.424 4.556 -0.000 0.000 0.300 387 H C 2.209 177.581 175.328 0.074 0.000 1.087 387 H CA 2.007 58.032 56.048 -0.038 0.000 1.319 387 H CB -0.123 29.620 29.762 -0.032 0.000 1.379 387 H HN 0.637 nan 8.280 nan 0.000 0.501 388 E N 1.009 121.422 120.200 0.355 0.000 2.110 388 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 388 E C 2.337 179.025 176.600 0.146 0.000 0.988 388 E CA 1.206 57.808 56.400 0.336 0.000 0.804 388 E CB -0.196 29.675 29.700 0.284 0.000 0.745 388 E HN 0.379 nan 8.360 nan 0.000 0.458 389 A N 0.010 122.869 122.820 0.065 0.000 1.877 389 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 389 A C 2.507 180.082 177.584 -0.015 0.000 1.186 389 A CA 1.733 53.772 52.037 0.004 0.000 0.620 389 A CB -0.847 18.130 19.000 -0.039 0.000 0.822 389 A HN 0.205 nan 8.150 nan 0.000 0.443 390 V N 0.024 119.917 119.914 -0.035 0.000 2.343 390 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 390 V C 2.653 178.743 176.094 -0.007 0.000 1.051 390 V CA 2.225 64.492 62.300 -0.056 0.000 1.036 390 V CB -0.808 30.953 31.823 -0.104 0.000 0.654 390 V HN 0.654 nan 8.190 nan 0.000 0.451 391 R N -0.174 120.340 120.500 0.023 0.000 2.073 391 R HA -0.140 4.199 4.340 -0.000 0.000 0.234 391 R C 2.326 178.666 176.300 0.066 0.000 1.134 391 R CA 1.684 57.805 56.100 0.035 0.000 0.952 391 R CB -0.306 30.015 30.300 0.035 0.000 0.850 391 R HN 0.434 nan 8.270 nan 0.000 0.433 392 L N 0.224 121.496 121.223 0.083 0.000 2.046 392 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 392 L C 2.711 179.649 176.870 0.113 0.000 1.077 392 L CA 1.342 56.241 54.840 0.098 0.000 0.747 392 L CB -0.497 41.612 42.059 0.083 0.000 0.896 392 L HN 0.345 nan 8.230 nan 0.000 0.432 393 A N 0.007 122.868 122.820 0.069 0.000 1.898 393 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 393 A C 2.009 179.724 177.584 0.218 0.000 1.181 393 A CA 1.726 53.828 52.037 0.108 0.000 0.620 393 A CB -0.535 18.472 19.000 0.011 0.000 0.819 393 A HN 0.414 nan 8.150 nan 0.000 0.442 394 N N 0.487 119.274 118.700 0.145 0.000 2.205 394 N HA -0.102 4.638 4.740 -0.000 0.000 0.186 394 N C 1.552 177.142 175.510 0.133 0.000 1.015 394 N CA 1.536 54.676 53.050 0.151 0.000 0.862 394 N CB -0.428 38.105 38.487 0.076 0.000 0.986 394 N HN 0.488 nan 8.380 nan 0.000 0.429 395 A N -0.845 122.049 122.820 0.124 0.000 2.238 395 A HA 0.013 4.333 4.320 -0.000 0.000 0.210 395 A C 0.292 177.943 177.584 0.113 0.000 1.179 395 A CA -0.355 51.739 52.037 0.094 0.000 0.827 395 A CB -0.416 18.631 19.000 0.078 0.000 0.856 395 A HN 0.267 nan 8.150 nan 0.000 0.488 396 Y N 1.717 122.031 120.300 0.022 0.000 2.650 396 Y HA 0.103 4.653 4.550 -0.000 0.000 0.331 396 Y C 0.978 176.851 175.900 -0.045 0.000 1.165 396 Y CA 0.495 58.595 58.100 -0.000 0.000 1.473 396 Y CB 0.380 38.855 38.460 0.025 0.000 1.224 396 Y HN 0.402 nan 8.280 nan 0.000 0.533 397 E N 3.048 122.931 120.200 -0.528 0.000 2.472 397 E HA 0.141 4.491 4.350 -0.000 0.000 0.196 397 E C 1.042 177.280 176.600 -0.604 0.000 1.033 397 E CA 0.122 56.262 56.400 -0.434 0.000 0.886 397 E CB 0.303 29.834 29.700 -0.282 0.000 0.944 397 E HN 0.870 nan 8.360 nan 0.000 0.492 398 G N 0.180 108.271 108.800 -1.182 0.000 2.588 398 G HA2 0.006 3.966 3.960 -0.000 0.000 0.278 398 G HA3 0.006 3.966 3.960 -0.000 0.000 0.278 398 G C -0.289 174.414 174.900 -0.328 0.000 1.307 398 G CA -0.575 44.035 45.100 -0.817 0.000 1.016 398 G HN 0.165 nan 8.290 nan 0.000 0.503 399 H N 0.208 119.272 119.070 -0.010 0.000 2.928 399 H HA 0.149 4.705 4.556 -0.000 0.000 0.338 399 H C 0.769 176.194 175.328 0.161 0.000 1.047 399 H CA 0.590 56.668 56.048 0.051 0.000 1.435 399 H CB 0.525 30.319 29.762 0.052 0.000 1.428 399 H HN 0.295 nan 8.280 nan 0.000 0.590 400 R N 0.951 121.569 120.500 0.197 0.000 2.674 400 R HA 0.586 4.926 4.340 -0.000 0.000 0.266 400 R C 0.080 176.453 176.300 0.123 0.000 1.016 400 R CA -0.927 55.254 56.100 0.136 0.000 1.062 400 R CB 1.168 31.416 30.300 -0.087 0.000 1.142 400 R HN 0.663 nan 8.270 nan 0.000 0.517 401 A N 0.772 123.671 122.820 0.132 0.000 2.386 401 A HA 0.357 4.677 4.320 -0.000 0.000 0.248 401 A C 1.134 178.777 177.584 0.098 0.000 1.082 401 A CA 0.344 52.435 52.037 0.090 0.000 0.789 401 A CB 0.386 19.411 19.000 0.041 0.000 1.025 401 A HN 0.910 nan 8.150 nan 0.000 0.490 402 A N 1.652 124.509 122.820 0.062 0.000 1.978 402 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 402 A C 1.353 178.976 177.584 0.065 0.000 1.170 402 A CA 1.741 53.809 52.037 0.052 0.000 0.636 402 A CB -0.583 18.434 19.000 0.030 0.000 0.810 402 A HN 0.987 nan 8.150 nan 0.000 0.448 403 N N -1.203 117.531 118.700 0.056 0.000 2.378 403 N HA -0.001 4.739 4.740 -0.000 0.000 0.243 403 N C 0.672 176.208 175.510 0.044 0.000 1.137 403 N CA -0.065 53.009 53.050 0.039 0.000 0.862 403 N CB -0.826 37.664 38.487 0.005 0.000 1.116 403 N HN 0.513 nan 8.380 nan 0.000 0.499 404 Y N 1.946 122.228 120.300 -0.029 0.000 2.062 404 Y HA -0.308 4.242 4.550 -0.000 0.000 0.276 404 Y C 1.873 177.751 175.900 -0.037 0.000 1.189 404 Y CA 2.171 60.250 58.100 -0.036 0.000 1.130 404 Y CB 0.105 38.557 38.460 -0.012 0.000 0.959 404 Y HN 0.084 nan 8.280 nan 0.000 0.499 405 E N 0.107 120.344 120.200 0.062 0.000 2.072 405 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 405 E C 2.443 178.972 176.600 -0.117 0.000 0.985 405 E CA 1.100 57.475 56.400 -0.041 0.000 0.801 405 E CB -0.734 29.009 29.700 0.072 0.000 0.750 405 E HN 0.605 nan 8.360 nan 0.000 0.452 406 A N 1.314 124.089 122.820 -0.076 0.000 1.930 406 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 406 A C 2.397 179.907 177.584 -0.123 0.000 1.175 406 A CA 0.906 52.895 52.037 -0.080 0.000 0.627 406 A CB -0.665 18.306 19.000 -0.049 0.000 0.815 406 A HN 0.141 nan 8.150 nan 0.000 0.443 407 L N -1.057 120.071 121.223 -0.159 0.000 2.017 407 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 407 L C 2.829 179.554 176.870 -0.242 0.000 1.073 407 L CA 1.239 55.965 54.840 -0.190 0.000 0.745 407 L CB -0.496 41.440 42.059 -0.205 0.000 0.894 407 L HN 0.316 nan 8.230 nan 0.000 0.432 408 M N -0.498 118.888 119.600 -0.355 0.000 2.117 408 M HA -0.163 4.317 4.480 -0.000 0.000 0.262 408 M C 2.585 178.755 176.300 -0.216 0.000 1.065 408 M CA 1.945 57.038 55.300 -0.346 0.000 1.114 408 M CB -1.421 30.875 32.600 -0.505 0.000 1.361 408 M HN 0.308 nan 8.290 nan 0.000 0.408 409 A N -0.275 122.440 122.820 -0.175 0.000 1.908 409 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 409 A C 2.190 179.708 177.584 -0.110 0.000 1.181 409 A CA 1.978 53.943 52.037 -0.121 0.000 0.627 409 A CB -0.772 18.174 19.000 -0.091 0.000 0.818 409 A HN 0.584 nan 8.150 nan 0.000 0.445 410 E N -0.429 119.702 120.200 -0.115 0.000 2.106 410 E HA -0.074 4.276 4.350 -0.000 0.000 0.192 410 E C 2.204 178.731 176.600 -0.122 0.000 0.984 410 E CA 0.800 57.139 56.400 -0.103 0.000 0.806 410 E CB -0.207 29.435 29.700 -0.096 0.000 0.750 410 E HN 0.560 nan 8.360 nan 0.000 0.458 411 A N 1.382 124.113 122.820 -0.148 0.000 1.877 411 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 411 A C 2.112 179.598 177.584 -0.164 0.000 1.186 411 A CA 1.470 53.412 52.037 -0.160 0.000 0.620 411 A CB -0.450 18.443 19.000 -0.178 0.000 0.822 411 A HN 0.162 nan 8.150 nan 0.000 0.443 412 R N -0.866 119.540 120.500 -0.156 0.000 2.083 412 R HA -0.169 4.171 4.340 -0.000 0.000 0.237 412 R C 2.253 178.468 176.300 -0.141 0.000 1.137 412 R CA 1.587 57.593 56.100 -0.156 0.000 0.951 412 R CB -0.324 29.895 30.300 -0.133 0.000 0.851 412 R HN 0.592 nan 8.270 nan 0.000 0.434 413 E N 0.488 120.626 120.200 -0.104 0.000 2.110 413 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 413 E C 1.846 178.384 176.600 -0.103 0.000 0.988 413 E CA 1.296 57.663 56.400 -0.054 0.000 0.804 413 E CB 0.069 29.762 29.700 -0.011 0.000 0.745 413 E HN 0.114 nan 8.360 nan 0.000 0.458 414 M N -0.451 119.061 119.600 -0.148 0.000 2.200 414 M HA -0.081 4.399 4.480 -0.000 0.000 0.265 414 M C 2.178 178.353 176.300 -0.208 0.000 1.066 414 M CA 0.758 55.941 55.300 -0.194 0.000 1.127 414 M CB -0.639 31.854 32.600 -0.178 0.000 1.379 414 M HN 0.082 nan 8.290 nan 0.000 0.420 415 V N 0.416 120.197 119.914 -0.221 0.000 2.261 415 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 415 V C 2.619 178.573 176.094 -0.234 0.000 1.047 415 V CA 2.074 64.198 62.300 -0.293 0.000 1.015 415 V CB -0.831 30.727 31.823 -0.441 0.000 0.642 415 V HN 0.473 nan 8.190 nan 0.000 0.446 416 R N 0.445 120.831 120.500 -0.190 0.000 2.083 416 R HA -0.251 4.089 4.340 -0.000 0.000 0.237 416 R C 2.412 178.660 176.300 -0.088 0.000 1.137 416 R CA 2.383 58.405 56.100 -0.130 0.000 0.951 416 R CB -0.320 29.933 30.300 -0.077 0.000 0.851 416 R HN 0.494 nan 8.270 nan 0.000 0.434 417 K N -0.624 119.687 120.400 -0.148 0.000 2.057 417 K HA -0.068 4.252 4.320 -0.000 0.000 0.206 417 K C 2.016 178.476 176.600 -0.233 0.000 1.050 417 K CA 1.513 57.620 56.287 -0.300 0.000 0.935 417 K CB -0.356 31.706 32.500 -0.729 0.000 0.715 417 K HN 0.362 nan 8.250 nan 0.000 0.439 418 G N 0.784 109.453 108.800 -0.218 0.000 2.418 418 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.217 418 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.217 418 G C 1.401 176.309 174.900 0.013 0.000 1.158 418 G CA 0.924 45.958 45.100 -0.111 0.000 0.771 418 G HN 0.449 nan 8.290 nan 0.000 0.545 419 Q N -0.283 119.475 119.800 -0.069 0.000 2.083 419 Q HA 0.084 4.424 4.340 -0.000 0.000 0.198 419 Q C 2.404 178.061 176.000 -0.570 0.000 0.969 419 Q CA 0.979 56.565 55.803 -0.361 0.000 0.838 419 Q CB -0.287 28.414 28.738 -0.062 0.000 0.900 419 Q HN 0.473 nan 8.270 nan 0.000 0.436 420 L N -0.258 120.852 121.223 -0.188 0.000 2.043 420 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 420 L C 1.796 178.661 176.870 -0.009 0.000 1.075 420 L CA 1.343 56.141 54.840 -0.071 0.000 0.752 420 L CB -0.244 41.894 42.059 0.130 0.000 0.891 420 L HN 0.273 nan 8.230 nan 0.000 0.432 421 F N 0.192 120.040 119.950 -0.170 0.000 2.113 421 F HA -0.246 4.280 4.527 -0.000 0.000 0.297 421 F C 2.396 178.221 175.800 0.042 0.000 1.103 421 F CA 1.852 59.807 58.000 -0.075 0.000 1.248 421 F CB -1.071 37.883 39.000 -0.077 0.000 0.999 421 F HN 0.400 nan 8.300 nan 0.000 0.475 422 W N 0.165 121.610 121.300 0.241 0.000 2.388 422 W HA -0.159 4.501 4.660 -0.000 0.000 0.294 422 W C 1.533 178.166 176.519 0.190 0.000 1.212 422 W CA 1.071 58.519 57.345 0.171 0.000 1.271 422 W CB -1.157 28.363 29.460 0.100 0.000 1.126 422 W HN 0.050 nan 8.180 nan 0.000 0.535 423 D N 0.713 120.872 120.400 -0.402 0.000 2.144 423 D HA -0.244 4.396 4.640 -0.000 0.000 0.199 423 D C 1.919 178.260 176.300 0.068 0.000 0.984 423 D CA 1.275 55.089 54.000 -0.311 0.000 0.834 423 D CB -0.839 39.578 40.800 -0.638 0.000 0.955 423 D HN 0.261 nan 8.370 nan 0.000 0.465 424 Y N 0.012 120.270 120.300 -0.070 0.000 2.256 424 Y HA -0.191 4.359 4.550 -0.000 0.000 0.288 424 Y C 2.009 177.946 175.900 0.060 0.000 1.155 424 Y CA 1.267 59.346 58.100 -0.034 0.000 1.203 424 Y CB 0.114 38.498 38.460 -0.128 0.000 0.980 424 Y HN -0.121 nan 8.280 nan 0.000 0.530 425 V N -1.448 118.659 119.914 0.321 0.000 2.426 425 V HA -0.175 3.945 4.120 -0.000 0.000 0.242 425 V C 2.455 178.712 176.094 0.270 0.000 1.036 425 V CA 1.561 64.026 62.300 0.276 0.000 1.044 425 V CB -0.496 31.496 31.823 0.280 0.000 0.688 425 V HN 0.435 nan 8.190 nan 0.000 0.462 426 S N 0.740 116.666 115.700 0.375 0.000 2.359 426 S HA -0.200 4.269 4.470 -0.000 0.000 0.224 426 S C 2.080 176.924 174.600 0.406 0.000 1.035 426 S CA 1.850 60.310 58.200 0.433 0.000 1.018 426 S CB -0.370 63.221 63.200 0.652 0.000 0.876 426 S HN 0.585 nan 8.310 nan 0.000 0.448 427 A N 0.828 123.848 122.820 0.334 0.000 2.067 427 A HA 0.079 4.399 4.320 -0.000 0.000 0.219 427 A C 1.205 178.939 177.584 0.249 0.000 1.158 427 A CA 0.604 52.809 52.037 0.280 0.000 0.661 427 A CB -0.358 18.690 19.000 0.080 0.000 0.801 427 A HN 0.599 nan 8.150 nan 0.000 0.452 428 E N 0.547 120.856 120.200 0.181 0.000 2.338 428 E HA 0.077 4.427 4.350 -0.000 0.000 0.272 428 E C -0.171 176.550 176.600 0.201 0.000 1.029 428 E CA -0.274 56.221 56.400 0.160 0.000 0.872 428 E CB 0.299 30.046 29.700 0.078 0.000 1.015 428 E HN 0.403 nan 8.360 nan 0.000 0.417 429 N N 1.285 120.106 118.700 0.201 0.000 2.398 429 N HA -0.069 4.670 4.740 -0.000 0.000 0.188 429 N C 1.080 176.634 175.510 0.073 0.000 1.122 429 N CA 0.345 53.498 53.050 0.172 0.000 0.866 429 N CB 0.347 38.947 38.487 0.188 0.000 0.970 429 N HN 0.337 nan 8.380 nan 0.000 0.462 430 S N -0.516 115.162 115.700 -0.037 0.000 2.556 430 S HA 0.053 4.523 4.470 -0.000 0.000 0.216 430 S C 0.888 175.478 174.600 -0.017 0.000 0.970 430 S CA -0.227 57.861 58.200 -0.186 0.000 0.912 430 S CB 0.034 62.762 63.200 -0.788 0.000 0.790 430 S HN -0.030 nan 8.310 nan 0.000 0.504 431 V N 1.229 121.176 119.914 0.055 0.000 5.616 431 V HA -0.172 3.948 4.120 -0.000 0.000 0.301 431 V C 1.577 177.692 176.094 0.035 0.000 0.564 431 V CA 0.705 63.041 62.300 0.060 0.000 0.653 431 V CB -2.842 28.981 31.823 -0.001 0.000 0.372 431 V HN 1.229 nan 8.190 nan 0.000 1.029 432 G N -0.461 108.379 108.800 0.066 0.000 2.241 432 G HA2 -0.405 3.554 3.960 -0.000 0.000 0.244 432 G HA3 -0.405 3.554 3.960 -0.000 0.000 0.244 432 G C 0.368 175.329 174.900 0.101 0.000 0.998 432 G CA 0.581 45.728 45.100 0.078 0.000 0.621 432 G HN 1.378 nan 8.290 nan 0.000 0.519 433 F N 1.386 121.316 119.950 -0.032 0.000 2.259 433 F HA 0.140 4.667 4.527 -0.000 0.000 0.298 433 F C 2.328 178.202 175.800 0.123 0.000 1.088 433 F CA 2.215 60.222 58.000 0.013 0.000 1.358 433 F CB -0.239 38.743 39.000 -0.030 0.000 1.040 433 F HN 0.417 nan 8.300 nan 0.000 0.505 434 H N -1.206 117.846 119.070 -0.032 0.000 2.387 434 H HA -0.120 4.436 4.556 -0.000 0.000 0.299 434 H C 0.315 175.580 175.328 -0.106 0.000 1.099 434 H CA 1.104 57.110 56.048 -0.070 0.000 1.315 434 H CB 0.007 29.844 29.762 0.124 0.000 1.380 434 H HN 0.067 nan 8.280 nan 0.000 0.513 435 N N -1.230 117.501 118.700 0.052 0.000 2.751 435 N HA 0.069 4.809 4.740 -0.000 0.000 0.238 435 N C -2.462 173.060 175.510 0.020 0.000 1.351 435 N CA -1.484 51.570 53.050 0.008 0.000 0.751 435 N CB 0.895 39.398 38.487 0.025 0.000 1.342 435 N HN -0.126 nan 8.380 nan 0.000 0.540 436 P HA -0.065 nan 4.420 nan 0.000 0.215 436 P C 1.051 178.376 177.300 0.040 0.000 1.153 436 P CA 1.420 64.543 63.100 0.038 0.000 0.853 436 P CB 0.395 32.126 31.700 0.050 0.000 0.788 437 A N -0.351 122.483 122.820 0.023 0.000 1.898 437 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 437 A C 2.285 179.885 177.584 0.026 0.000 1.181 437 A CA 1.852 53.903 52.037 0.023 0.000 0.620 437 A CB -1.123 17.881 19.000 0.008 0.000 0.819 437 A HN 0.119 nan 8.150 nan 0.000 0.442 438 K N -0.232 120.182 120.400 0.024 0.000 2.097 438 K HA -0.013 4.307 4.320 -0.000 0.000 0.205 438 K C 2.116 178.750 176.600 0.057 0.000 1.050 438 K CA 1.171 57.474 56.287 0.027 0.000 0.938 438 K CB -0.337 32.178 32.500 0.026 0.000 0.718 438 K HN 0.335 nan 8.250 nan 0.000 0.442 439 A N 1.216 124.086 122.820 0.083 0.000 1.865 439 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 439 A C 2.121 179.760 177.584 0.092 0.000 1.191 439 A CA 1.598 53.700 52.037 0.109 0.000 0.623 439 A CB -0.760 18.301 19.000 0.102 0.000 0.826 439 A HN 0.327 nan 8.150 nan 0.000 0.444 440 L N -0.844 120.419 121.223 0.067 0.000 2.056 440 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 440 L C 2.403 179.309 176.870 0.059 0.000 1.078 440 L CA 1.655 56.529 54.840 0.056 0.000 0.749 440 L CB -0.509 41.574 42.059 0.040 0.000 0.901 440 L HN 0.509 nan 8.230 nan 0.000 0.433 441 D N -0.641 119.792 120.400 0.055 0.000 2.117 441 D HA -0.180 4.460 4.640 -0.000 0.000 0.197 441 D C 1.991 178.348 176.300 0.094 0.000 0.987 441 D CA 1.592 55.626 54.000 0.056 0.000 0.829 441 D CB 0.171 40.995 40.800 0.040 0.000 0.961 441 D HN 0.089 nan 8.370 nan 0.000 0.460 442 T N 0.038 114.652 114.554 0.101 0.000 2.746 442 T HA -0.078 4.272 4.350 -0.000 0.000 0.267 442 T C 1.988 176.831 174.700 0.239 0.000 1.039 442 T CA 0.794 62.995 62.100 0.168 0.000 1.142 442 T CB -0.253 68.633 68.868 0.029 0.000 0.866 442 T HN 0.169 nan 8.240 nan 0.000 0.444 443 L N 0.236 121.559 121.223 0.166 0.000 2.093 443 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 443 L C 2.612 179.546 176.870 0.107 0.000 1.085 443 L CA 1.162 56.095 54.840 0.156 0.000 0.755 443 L CB -0.472 41.650 42.059 0.105 0.000 0.904 443 L HN 0.316 nan 8.230 nan 0.000 0.435 444 M N -0.661 118.984 119.600 0.076 0.000 2.099 444 M HA -0.184 4.295 4.480 -0.000 0.000 0.262 444 M C 2.214 178.520 176.300 0.009 0.000 1.067 444 M CA 1.822 57.142 55.300 0.033 0.000 1.124 444 M CB -0.075 32.539 32.600 0.023 0.000 1.353 444 M HN 0.090 nan 8.290 nan 0.000 0.410 445 T N -0.222 114.346 114.554 0.024 0.000 2.788 445 T HA -0.150 4.200 4.350 -0.000 0.000 0.268 445 T C 1.883 176.480 174.700 -0.172 0.000 1.044 445 T CA 1.682 63.728 62.100 -0.090 0.000 1.139 445 T CB -0.387 68.428 68.868 -0.087 0.000 0.867 445 T HN 0.565 nan 8.240 nan 0.000 0.454 446 S N 1.083 116.775 115.700 -0.014 0.000 2.359 446 S HA -0.185 4.284 4.470 -0.000 0.000 0.223 446 S C 2.149 176.741 174.600 -0.014 0.000 1.039 446 S CA 1.855 60.067 58.200 0.020 0.000 1.042 446 S CB -0.456 62.895 63.200 0.252 0.000 0.915 446 S HN 0.534 nan 8.310 nan 0.000 0.439 447 M N 0.597 120.201 119.600 0.006 0.000 2.159 447 M HA -0.126 4.354 4.480 -0.000 0.000 0.263 447 M C 1.928 178.192 176.300 -0.060 0.000 1.063 447 M CA 1.984 57.272 55.300 -0.020 0.000 1.110 447 M CB -0.342 32.247 32.600 -0.017 0.000 1.374 447 M HN 0.400 nan 8.290 nan 0.000 0.411 448 E N -0.227 119.924 120.200 -0.081 0.000 2.085 448 E HA -0.214 4.135 4.350 -0.000 0.000 0.194 448 E C 2.053 178.572 176.600 -0.134 0.000 0.994 448 E CA 1.787 58.126 56.400 -0.101 0.000 0.801 448 E CB -0.305 29.329 29.700 -0.109 0.000 0.743 448 E HN 0.610 nan 8.360 nan 0.000 0.453 449 C N 0.262 119.451 119.300 -0.186 0.000 2.432 449 C HA -0.097 4.363 4.460 -0.000 0.000 0.277 449 C C 2.948 177.842 174.990 -0.160 0.000 1.249 449 C CA 0.857 59.745 59.018 -0.218 0.000 1.725 449 C CB -0.775 26.768 27.740 -0.328 0.000 2.028 449 C HN 0.400 nan 8.230 nan 0.000 0.477 450 S N 0.305 115.935 115.700 -0.118 0.000 2.368 450 S HA -0.234 4.235 4.470 -0.000 0.000 0.225 450 S C 1.853 176.396 174.600 -0.095 0.000 1.030 450 S CA 1.749 59.891 58.200 -0.097 0.000 0.999 450 S CB -0.467 62.704 63.200 -0.048 0.000 0.844 450 S HN 0.683 nan 8.310 nan 0.000 0.459 451 Q N 1.851 121.602 119.800 -0.083 0.000 2.124 451 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 451 Q C 1.901 177.854 176.000 -0.077 0.000 0.977 451 Q CA 1.670 57.431 55.803 -0.071 0.000 0.850 451 Q CB -0.290 28.412 28.738 -0.059 0.000 0.901 451 Q HN 0.318 nan 8.270 nan 0.000 0.429 452 K N -0.210 120.134 120.400 -0.093 0.000 2.097 452 K HA -0.014 4.306 4.320 -0.000 0.000 0.206 452 K C 1.776 178.312 176.600 -0.108 0.000 1.049 452 K CA 1.444 57.673 56.287 -0.097 0.000 0.933 452 K CB -0.668 31.764 32.500 -0.112 0.000 0.717 452 K HN 0.264 nan 8.250 nan 0.000 0.442 453 A N 0.065 122.810 122.820 -0.125 0.000 1.902 453 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 453 A C 2.294 179.805 177.584 -0.122 0.000 1.181 453 A CA 1.797 53.752 52.037 -0.138 0.000 0.623 453 A CB -0.800 18.101 19.000 -0.165 0.000 0.818 453 A HN 0.122 nan 8.150 nan 0.000 0.443 454 V N 0.715 120.569 119.914 -0.100 0.000 2.287 454 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 454 V C 2.226 178.274 176.094 -0.077 0.000 1.053 454 V CA 2.396 64.648 62.300 -0.080 0.000 1.027 454 V CB -0.845 30.943 31.823 -0.058 0.000 0.646 454 V HN 0.503 nan 8.190 nan 0.000 0.447 455 D N 0.046 120.406 120.400 -0.067 0.000 2.097 455 D HA -0.119 4.521 4.640 -0.000 0.000 0.195 455 D C 2.161 178.402 176.300 -0.097 0.000 0.989 455 D CA 1.274 55.245 54.000 -0.048 0.000 0.827 455 D CB -0.313 40.471 40.800 -0.027 0.000 0.966 455 D HN 0.337 nan 8.370 nan 0.000 0.456 456 L N 0.693 121.846 121.223 -0.118 0.000 1.994 456 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 456 L C 2.585 179.332 176.870 -0.205 0.000 1.071 456 L CA 1.298 56.045 54.840 -0.153 0.000 0.745 456 L CB -0.524 41.448 42.059 -0.145 0.000 0.892 456 L HN -0.031 nan 8.230 nan 0.000 0.431 457 A N -0.481 122.225 122.820 -0.189 0.000 1.908 457 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 457 A C 2.374 179.820 177.584 -0.230 0.000 1.181 457 A CA 2.403 54.318 52.037 -0.203 0.000 0.627 457 A CB -0.955 17.954 19.000 -0.153 0.000 0.818 457 A HN 0.411 nan 8.150 nan 0.000 0.445 458 T N -0.619 113.801 114.554 -0.223 0.000 2.708 458 T HA -0.151 4.199 4.350 -0.000 0.000 0.266 458 T C 1.877 176.230 174.700 -0.579 0.000 1.037 458 T CA 1.521 63.454 62.100 -0.278 0.000 1.146 458 T CB -0.232 68.558 68.868 -0.131 0.000 0.865 458 T HN 0.734 nan 8.240 nan 0.000 0.435 459 E N 0.984 120.790 120.200 -0.657 0.000 2.110 459 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 459 E C 2.331 178.582 176.600 -0.582 0.000 0.988 459 E CA 0.980 56.781 56.400 -0.998 0.000 0.804 459 E CB -0.220 29.182 29.700 -0.496 0.000 0.745 459 E HN 0.471 nan 8.360 nan 0.000 0.458 460 A N 0.559 123.171 122.820 -0.345 0.000 1.978 460 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 460 A C 2.282 179.869 177.584 0.005 0.000 1.170 460 A CA 1.933 53.881 52.037 -0.149 0.000 0.636 460 A CB -0.843 17.988 19.000 -0.282 0.000 0.810 460 A HN 0.459 nan 8.150 nan 0.000 0.448 461 T N -4.439 109.984 114.554 -0.218 0.000 3.235 461 T HA 0.280 4.629 4.350 -0.000 0.000 0.251 461 T C 0.153 174.685 174.700 -0.279 0.000 1.060 461 T CA 0.615 62.502 62.100 -0.355 0.000 0.949 461 T CB -0.234 68.051 68.868 -0.972 0.000 1.020 461 T HN 0.348 nan 8.240 nan 0.000 0.564 462 D N 0.605 120.861 120.400 -0.239 0.000 2.870 462 D HA -0.222 4.417 4.640 -0.000 0.000 0.228 462 D C 0.012 176.360 176.300 0.079 0.000 1.147 462 D CA 0.816 54.786 54.000 -0.050 0.000 0.757 462 D CB -2.118 38.766 40.800 0.139 0.000 1.091 462 D HN 0.602 nan 8.370 nan 0.000 0.429 463 F N -4.127 115.770 119.950 -0.088 0.000 2.914 463 F HA -0.267 4.260 4.527 -0.000 0.000 0.304 463 F C 2.009 177.750 175.800 -0.098 0.000 0.712 463 F CA 0.781 58.730 58.000 -0.085 0.000 1.211 463 F CB -1.709 37.268 39.000 -0.038 0.000 1.515 463 F HN 0.250 nan 8.300 nan 0.000 0.350 464 G N 0.974 109.718 108.800 -0.093 0.000 2.432 464 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.219 464 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.219 464 G C 1.349 176.215 174.900 -0.057 0.000 1.135 464 G CA 1.066 46.143 45.100 -0.039 0.000 0.767 464 G HN 0.729 nan 8.290 nan 0.000 0.550 465 I N -2.015 118.430 120.570 -0.208 0.000 3.793 465 I HA 0.529 4.699 4.170 -0.000 0.000 0.315 465 I C 2.406 178.515 176.117 -0.014 0.000 1.275 465 I CA 0.464 61.715 61.300 -0.082 0.000 1.214 465 I CB 0.123 38.047 38.000 -0.127 0.000 1.018 465 I HN 0.057 nan 8.210 nan 0.000 0.439 466 A N 2.874 125.707 122.820 0.020 0.000 1.859 466 A HA -0.063 4.256 4.320 -0.000 0.000 0.217 466 A C 0.365 177.974 177.584 0.042 0.000 1.198 466 A CA 1.916 53.987 52.037 0.057 0.000 0.629 466 A CB -2.045 17.030 19.000 0.125 0.000 0.830 466 A HN 0.383 nan 8.150 nan 0.000 0.446 467 P HA -0.228 nan 4.420 nan 0.000 0.216 467 P C 1.753 179.072 177.300 0.030 0.000 1.157 467 P CA 2.298 65.419 63.100 0.035 0.000 0.880 467 P CB -0.231 31.495 31.700 0.042 0.000 0.791 468 A N -0.732 122.110 122.820 0.036 0.000 1.902 468 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 468 A C 2.150 179.749 177.584 0.025 0.000 1.181 468 A CA 1.481 53.539 52.037 0.035 0.000 0.623 468 A CB -1.659 17.369 19.000 0.047 0.000 0.818 468 A HN 0.152 nan 8.150 nan 0.000 0.443 469 L N -0.539 120.697 121.223 0.021 0.000 2.622 469 L HA -0.066 4.274 4.340 -0.000 0.000 0.233 469 L C 2.710 179.583 176.870 0.006 0.000 1.156 469 L CA 0.382 55.229 54.840 0.012 0.000 0.866 469 L CB -0.324 41.739 42.059 0.006 0.000 0.980 469 L HN 0.448 nan 8.230 nan 0.000 0.448 470 A N 0.179 123.005 122.820 0.010 0.000 1.968 470 A HA 0.080 4.400 4.320 -0.000 0.000 0.217 470 A C 1.770 179.354 177.584 -0.000 0.000 1.169 470 A CA 1.077 53.117 52.037 0.005 0.000 0.638 470 A CB -0.722 18.283 19.000 0.008 0.000 0.812 470 A HN 0.384 nan 8.150 nan 0.000 0.446 471 G N -0.577 108.223 108.800 0.001 0.000 2.468 471 G HA2 0.284 4.244 3.960 -0.000 0.000 0.264 471 G HA3 0.284 4.244 3.960 -0.000 0.000 0.264 471 G C -0.567 174.329 174.900 -0.007 0.000 1.460 471 G CA 0.207 45.306 45.100 -0.002 0.000 1.060 471 G HN 0.242 nan 8.290 nan 0.000 0.543 472 D N -0.675 119.721 120.400 -0.008 0.000 2.317 472 D HA 0.085 4.725 4.640 -0.000 0.000 0.252 472 D C 1.346 177.643 176.300 -0.005 0.000 1.174 472 D CA -0.640 53.355 54.000 -0.008 0.000 0.866 472 D CB 1.101 41.894 40.800 -0.011 0.000 1.127 472 D HN 0.042 nan 8.370 nan 0.000 0.467 473 I N 4.543 125.112 120.570 -0.000 0.000 2.335 473 I HA -0.220 3.950 4.170 -0.000 0.000 0.251 473 I C 1.826 177.964 176.117 0.035 0.000 1.129 473 I CA 1.518 62.815 61.300 -0.006 0.000 1.402 473 I CB -0.034 37.941 38.000 -0.041 0.000 1.069 473 I HN 0.413 nan 8.210 nan 0.000 0.424 474 K N -0.064 120.373 120.400 0.063 0.000 2.362 474 K HA -0.146 4.174 4.320 -0.000 0.000 0.200 474 K C 1.976 178.561 176.600 -0.026 0.000 1.046 474 K CA 0.898 57.202 56.287 0.028 0.000 0.952 474 K CB -0.053 32.412 32.500 -0.058 0.000 0.753 474 K HN 0.396 nan 8.250 nan 0.000 0.466 475 K N 0.405 120.793 120.400 -0.021 0.000 2.067 475 K HA -0.036 4.284 4.320 -0.000 0.000 0.203 475 K C 1.998 178.582 176.600 -0.028 0.000 1.048 475 K CA 0.440 56.712 56.287 -0.026 0.000 0.954 475 K CB -0.047 32.443 32.500 -0.017 0.000 0.737 475 K HN -0.023 nan 8.250 nan 0.000 0.444 476 L N 0.866 122.073 121.223 -0.027 0.000 2.093 476 L HA -0.041 4.299 4.340 -0.000 0.000 0.208 476 L C 0.409 177.232 176.870 -0.078 0.000 1.085 476 L CA 1.527 56.351 54.840 -0.026 0.000 0.755 476 L CB 0.376 42.429 42.059 -0.010 0.000 0.904 476 L HN -0.190 nan 8.230 nan 0.000 0.435 477 V N 1.269 121.097 119.914 -0.143 0.000 2.320 477 V HA 0.348 4.467 4.120 -0.000 0.000 0.268 477 V C -2.384 173.612 176.094 -0.163 0.000 1.021 477 V CA -1.494 60.605 62.300 -0.335 0.000 0.813 477 V CB 0.611 32.021 31.823 -0.689 0.000 1.054 477 V HN 0.097 nan 8.190 nan 0.000 0.444 478 P HA 0.224 nan 4.420 nan 0.000 0.268 478 P C -2.589 174.651 177.300 -0.101 0.000 1.204 478 P CA -1.227 61.813 63.100 -0.101 0.000 0.768 478 P CB 0.001 31.653 31.700 -0.080 0.000 0.842 479 P HA 0.044 nan 4.420 nan 0.000 0.264 479 P C -0.242 177.019 177.300 -0.066 0.000 1.183 479 P CA 0.641 63.593 63.100 -0.247 0.000 0.763 479 P CB 0.135 31.562 31.700 -0.455 0.000 0.807 480 I N 4.050 124.638 120.570 0.030 0.000 2.308 480 I HA 0.026 4.196 4.170 -0.000 0.000 0.293 480 I C 1.566 177.742 176.117 0.099 0.000 1.078 480 I CA -0.257 61.092 61.300 0.082 0.000 1.292 480 I CB 0.725 38.812 38.000 0.145 0.000 1.423 480 I HN 0.352 nan 8.210 nan 0.000 0.493 481 L N 5.601 126.880 121.223 0.092 0.000 2.072 481 L HA 0.094 4.434 4.340 -0.000 0.000 0.205 481 L C 0.792 177.759 176.870 0.162 0.000 1.079 481 L CA 1.970 56.879 54.840 0.114 0.000 0.752 481 L CB 0.110 42.226 42.059 0.095 0.000 0.906 481 L HN 0.491 nan 8.230 nan 0.000 0.436 482 T N 0.631 115.306 114.554 0.202 0.000 2.848 482 T HA 0.606 4.956 4.350 -0.000 0.000 0.285 482 T C -1.463 173.433 174.700 0.326 0.000 0.995 482 T CA -0.255 61.982 62.100 0.228 0.000 0.970 482 T CB 1.981 70.988 68.868 0.231 0.000 0.976 482 T HN 0.037 nan 8.240 nan 0.000 0.441 483 L N 3.405 124.764 121.223 0.226 0.000 2.676 483 L HA 0.680 5.019 4.340 -0.000 0.000 0.262 483 L C -0.884 176.110 176.870 0.206 0.000 0.932 483 L CA -0.100 54.903 54.840 0.271 0.000 0.932 483 L CB 1.673 43.915 42.059 0.305 0.000 1.355 483 L HN 0.780 nan 8.230 nan 0.000 0.421 484 S N 3.416 119.180 115.700 0.107 0.000 2.618 484 S HA 0.645 5.115 4.470 -0.000 0.000 0.277 484 S C 0.708 175.187 174.600 -0.202 0.000 1.138 484 S CA -0.823 57.379 58.200 0.004 0.000 0.844 484 S CB 2.106 65.242 63.200 -0.107 0.000 1.127 484 S HN 0.715 nan 8.310 nan 0.000 0.474 485 R N 0.505 120.654 120.500 -0.584 0.000 2.105 485 R HA -0.098 4.241 4.340 -0.000 0.000 0.239 485 R C 2.055 177.927 176.300 -0.713 0.000 1.135 485 R CA 1.826 57.453 56.100 -0.788 0.000 0.967 485 R CB -0.443 29.362 30.300 -0.824 0.000 0.861 485 R HN 0.752 nan 8.270 nan 0.000 0.442 486 K N 1.175 121.138 120.400 -0.729 0.000 2.025 486 K HA -0.097 4.223 4.320 -0.000 0.000 0.207 486 K C 1.880 178.258 176.600 -0.369 0.000 1.049 486 K CA 1.237 57.151 56.287 -0.622 0.000 0.933 486 K CB -0.209 32.084 32.500 -0.345 0.000 0.714 486 K HN 0.077 nan 8.250 nan 0.000 0.438 487 L N 0.621 121.636 121.223 -0.347 0.000 2.083 487 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 487 L C 2.646 179.420 176.870 -0.159 0.000 1.083 487 L CA 1.321 55.908 54.840 -0.422 0.000 0.752 487 L CB -0.389 41.139 42.059 -0.884 0.000 0.899 487 L HN 0.408 nan 8.230 nan 0.000 0.433 488 Q N -0.022 119.739 119.800 -0.065 0.000 2.561 488 Q HA -0.192 4.148 4.340 -0.000 0.000 0.217 488 Q C 1.720 177.724 176.000 0.008 0.000 0.980 488 Q CA 0.713 56.558 55.803 0.071 0.000 0.927 488 Q CB 0.155 28.965 28.738 0.121 0.000 0.980 488 Q HN 0.579 nan 8.270 nan 0.000 0.525 489 Q N -0.381 119.374 119.800 -0.076 0.000 2.425 489 Q HA -0.017 4.323 4.340 -0.000 0.000 0.204 489 Q C -0.322 175.673 176.000 -0.007 0.000 0.933 489 Q CA 0.133 55.897 55.803 -0.066 0.000 0.939 489 Q CB 0.548 29.208 28.738 -0.130 0.000 1.044 489 Q HN 0.114 nan 8.270 nan 0.000 0.513 490 D N 0.240 120.660 120.400 0.033 0.000 2.472 490 D HA 0.145 4.785 4.640 -0.000 0.000 0.234 490 D C -2.040 174.343 176.300 0.138 0.000 1.088 490 D CA -2.402 51.645 54.000 0.079 0.000 0.882 490 D CB 1.491 42.339 40.800 0.079 0.000 1.037 490 D HN -0.182 nan 8.370 nan 0.000 0.520 491 P HA -0.174 nan 4.420 nan 0.000 0.216 491 P C 1.000 178.350 177.300 0.083 0.000 1.154 491 P CA 1.068 64.216 63.100 0.080 0.000 0.865 491 P CB 0.438 32.169 31.700 0.052 0.000 0.789 492 E N -1.971 118.284 120.200 0.091 0.000 2.268 492 E HA -0.129 4.221 4.350 -0.000 0.000 0.195 492 E C 1.781 178.444 176.600 0.105 0.000 0.995 492 E CA 0.650 57.098 56.400 0.080 0.000 0.836 492 E CB -0.785 28.959 29.700 0.073 0.000 0.763 492 E HN 0.346 nan 8.360 nan 0.000 0.491 493 F N 1.189 121.153 119.950 0.024 0.000 2.149 493 F HA -0.042 4.485 4.527 -0.000 0.000 0.294 493 F C 2.020 177.844 175.800 0.040 0.000 1.095 493 F CA 0.870 58.888 58.000 0.029 0.000 1.276 493 F CB -0.271 38.743 39.000 0.025 0.000 1.023 493 F HN -0.114 nan 8.300 nan 0.000 0.480 494 L N 0.408 121.630 121.223 -0.003 0.000 2.187 494 L HA -0.242 4.098 4.340 -0.000 0.000 0.213 494 L C 2.181 178.977 176.870 -0.123 0.000 1.100 494 L CA 1.487 56.279 54.840 -0.080 0.000 0.765 494 L CB -0.751 41.352 42.059 0.074 0.000 0.904 494 L HN 0.151 nan 8.230 nan 0.000 0.437 495 K N -0.193 120.158 120.400 -0.082 0.000 2.365 495 K HA -0.129 4.191 4.320 -0.000 0.000 0.199 495 K C 1.850 178.399 176.600 -0.084 0.000 1.045 495 K CA 0.636 56.892 56.287 -0.052 0.000 0.962 495 K CB -0.008 32.482 32.500 -0.017 0.000 0.759 495 K HN 0.434 nan 8.250 nan 0.000 0.469 496 Q N 0.372 120.067 119.800 -0.175 0.000 2.488 496 Q HA -0.013 4.327 4.340 -0.000 0.000 0.211 496 Q C 0.105 176.027 176.000 -0.131 0.000 0.967 496 Q CA 0.385 56.090 55.803 -0.163 0.000 0.926 496 Q CB 0.068 28.664 28.738 -0.237 0.000 0.992 496 Q HN 0.176 nan 8.270 nan 0.000 0.506 497 N N -0.695 117.937 118.700 -0.112 0.000 2.324 497 N HA 0.112 4.852 4.740 -0.000 0.000 0.285 497 N C -2.597 172.940 175.510 0.044 0.000 1.076 497 N CA -1.718 51.308 53.050 -0.039 0.000 0.864 497 N CB 1.991 40.447 38.487 -0.052 0.000 1.632 497 N HN -0.326 nan 8.380 nan 0.000 0.478 498 P HA -0.020 nan 4.420 nan 0.000 0.219 498 P C 0.739 178.255 177.300 0.359 0.000 1.146 498 P CA 1.133 64.345 63.100 0.187 0.000 0.808 498 P CB 0.170 31.981 31.700 0.186 0.000 0.779 499 W N -0.102 121.212 121.300 0.024 0.000 2.588 499 W HA 0.028 4.688 4.660 -0.000 0.000 0.277 499 W C 2.395 178.929 176.519 0.025 0.000 1.221 499 W CA 1.589 58.958 57.345 0.041 0.000 1.355 499 W CB -1.804 27.696 29.460 0.066 0.000 1.083 499 W HN -0.001 nan 8.180 nan 0.000 0.581 500 T N -1.608 113.071 114.554 0.209 0.000 2.881 500 T HA -0.181 4.169 4.350 -0.000 0.000 0.270 500 T C 1.846 176.589 174.700 0.070 0.000 1.068 500 T CA 1.166 63.332 62.100 0.109 0.000 1.131 500 T CB -0.377 68.506 68.868 0.025 0.000 0.871 500 T HN 0.061 nan 8.240 nan 0.000 0.479 501 R N 0.691 121.230 120.500 0.065 0.000 2.159 501 R HA 0.074 4.414 4.340 -0.000 0.000 0.237 501 R C 1.983 178.309 176.300 0.043 0.000 1.131 501 R CA 1.025 57.154 56.100 0.047 0.000 0.982 501 R CB -0.575 29.759 30.300 0.057 0.000 0.868 501 R HN 0.472 nan 8.270 nan 0.000 0.453 502 L N 0.459 121.705 121.223 0.038 0.000 2.554 502 L HA 0.090 4.429 4.340 -0.000 0.000 0.226 502 L C 0.370 177.243 176.870 0.004 0.000 1.137 502 L CA -0.066 54.773 54.840 -0.002 0.000 0.863 502 L CB -0.050 41.966 42.059 -0.073 0.000 0.985 502 L HN 0.081 nan 8.230 nan 0.000 0.451 503 L N 0.556 121.797 121.223 0.031 0.000 2.399 503 L HA 0.328 4.668 4.340 -0.000 0.000 0.266 503 L C -2.052 174.849 176.870 0.052 0.000 1.114 503 L CA -1.944 52.922 54.840 0.044 0.000 0.804 503 L CB 0.372 42.475 42.059 0.074 0.000 1.146 503 L HN -0.173 nan 8.230 nan 0.000 0.451 504 P HA 0.232 nan 4.420 nan 0.000 0.282 504 P C -0.972 176.363 177.300 0.059 0.000 1.249 504 P CA -0.554 62.576 63.100 0.050 0.000 0.806 504 P CB 1.035 32.762 31.700 0.046 0.000 0.984 505 A N 3.626 126.476 122.820 0.051 0.000 2.450 505 A HA 0.302 4.622 4.320 -0.000 0.000 0.255 505 A C 0.200 177.803 177.584 0.032 0.000 1.096 505 A CA -0.247 51.819 52.037 0.048 0.000 0.778 505 A CB -0.604 18.421 19.000 0.042 0.000 1.031 505 A HN 0.536 nan 8.150 nan 0.000 0.494 506 L N 3.313 124.546 121.223 0.016 0.000 2.399 506 L HA 0.325 4.665 4.340 -0.000 0.000 0.266 506 L C -1.926 174.935 176.870 -0.015 0.000 1.114 506 L CA -1.949 52.888 54.840 -0.005 0.000 0.804 506 L CB 0.679 42.712 42.059 -0.044 0.000 1.146 506 L HN 0.454 nan 8.230 nan 0.000 0.451 507 P HA -0.014 nan 4.420 nan 0.000 0.266 507 P C -0.862 176.430 177.300 -0.013 0.000 1.195 507 P CA -0.273 62.827 63.100 -0.001 0.000 0.768 507 P CB 0.383 32.089 31.700 0.011 0.000 0.838 508 K N 2.403 122.800 120.400 -0.005 0.000 2.453 508 K HA 0.419 4.739 4.320 -0.000 0.000 0.280 508 K C -0.519 176.089 176.600 0.014 0.000 1.045 508 K CA 0.445 56.729 56.287 -0.006 0.000 1.059 508 K CB -0.523 31.979 32.500 0.003 0.000 0.901 508 K HN 0.546 nan 8.250 nan 0.000 0.475 509 A N 4.099 126.937 122.820 0.029 0.000 2.547 509 A HA 0.409 4.729 4.320 -0.000 0.000 0.297 509 A C -1.208 176.478 177.584 0.169 0.000 1.056 509 A CA -0.952 51.137 52.037 0.087 0.000 0.688 509 A CB 0.912 19.976 19.000 0.107 0.000 1.282 509 A HN 0.615 nan 8.150 nan 0.000 0.400 510 E N 1.022 121.300 120.200 0.129 0.000 2.349 510 E HA 0.156 4.506 4.350 -0.000 0.000 0.265 510 E C -0.147 176.521 176.600 0.113 0.000 1.064 510 E CA -0.264 56.208 56.400 0.120 0.000 0.886 510 E CB 0.897 30.617 29.700 0.033 0.000 1.036 510 E HN 0.688 nan 8.360 nan 0.000 0.413 511 Q N 1.081 120.883 119.800 0.005 0.000 2.313 511 Q HA 0.079 4.419 4.340 -0.000 0.000 0.266 511 Q C 0.256 176.097 176.000 -0.265 0.000 0.989 511 Q CA -0.111 55.458 55.803 -0.389 0.000 0.890 511 Q CB 0.745 29.232 28.738 -0.418 0.000 1.200 511 Q HN 0.291 nan 8.270 nan 0.000 0.396 512 V N 4.040 123.771 119.914 -0.304 0.000 3.379 512 V HA 0.119 4.239 4.120 -0.000 0.000 0.249 512 V C -0.390 175.507 176.094 -0.329 0.000 1.184 512 V CA 0.123 62.260 62.300 -0.272 0.000 1.106 512 V CB 0.191 31.863 31.823 -0.250 0.000 0.826 512 V HN 0.678 nan 8.190 nan 0.000 0.465 513 W N 0.204 121.368 121.300 -0.227 0.000 2.656 513 W HA 0.618 5.278 4.660 -0.000 0.000 0.327 513 W C -0.158 176.259 176.519 -0.169 0.000 1.041 513 W CA -0.350 56.901 57.345 -0.157 0.000 1.229 513 W CB 1.590 30.967 29.460 -0.138 0.000 1.397 513 W HN -0.109 nan 8.180 nan 0.000 0.479 514 E N 2.895 123.214 120.200 0.198 0.000 2.283 514 E HA 0.484 4.834 4.350 -0.000 0.000 0.258 514 E C 0.716 177.407 176.600 0.152 0.000 0.893 514 E CA 0.252 56.713 56.400 0.102 0.000 0.798 514 E CB 0.783 30.503 29.700 0.034 0.000 1.242 514 E HN 0.631 nan 8.360 nan 0.000 0.414 515 G N 3.859 112.728 108.800 0.115 0.000 2.596 515 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.304 515 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.304 515 G C 0.654 175.666 174.900 0.186 0.000 1.189 515 G CA 0.656 45.828 45.100 0.120 0.000 0.986 515 G HN 0.606 nan 8.290 nan 0.000 0.548 516 Q N 0.994 120.933 119.800 0.230 0.000 2.282 516 Q HA 0.178 4.518 4.340 -0.000 0.000 0.206 516 Q C -0.397 175.891 176.000 0.480 0.000 0.878 516 Q CA 0.042 56.036 55.803 0.318 0.000 0.944 516 Q CB 0.532 29.416 28.738 0.243 0.000 1.100 516 Q HN 0.536 nan 8.270 nan 0.000 0.509 517 D N 1.796 122.407 120.400 0.352 0.000 2.316 517 D HA 0.098 4.738 4.640 -0.000 0.000 0.245 517 D C -0.340 175.963 176.300 0.006 0.000 1.171 517 D CA -0.022 54.086 54.000 0.180 0.000 0.856 517 D CB 0.973 41.822 40.800 0.081 0.000 1.090 517 D HN 0.039 nan 8.370 nan 0.000 0.476 518 R N 1.365 121.662 120.500 -0.337 0.000 2.438 518 R HA 0.507 4.847 4.340 -0.000 0.000 0.287 518 R C -0.725 175.308 176.300 -0.444 0.000 1.077 518 R CA -0.196 55.374 56.100 -0.883 0.000 1.034 518 R CB 0.712 30.427 30.300 -0.974 0.000 0.993 518 R HN 0.533 nan 8.270 nan 0.000 0.459 519 A N 0.000 122.558 122.820 -0.437 0.000 2.254 519 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 519 A CA 0.000 51.886 52.037 -0.251 0.000 0.836 519 A CB 0.000 18.898 19.000 -0.171 0.000 0.831 519 A HN 0.000 nan 8.150 nan 0.000 0.486