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_A 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 ADCHMQYXXX XXXXISSHWM 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 0.000 174.674 174.700 -0.044 0.000 1.109 38 T CA 0.000 62.104 62.100 0.007 0.000 1.349 38 T CB 0.000 68.919 68.868 0.085 0.000 0.612 39 G N 2.060 110.839 108.800 -0.036 0.000 2.225 39 G HA2 -0.200 3.759 3.960 -0.000 0.000 0.254 39 G HA3 -0.200 3.759 3.960 -0.000 0.000 0.254 39 G C 0.107 174.958 174.900 -0.081 0.000 0.988 39 G CA 0.036 45.103 45.100 -0.054 0.000 0.625 39 G HN 0.887 nan 8.290 nan 0.000 0.527 40 I N 2.224 122.725 120.570 -0.115 0.000 2.710 40 I HA 0.361 4.531 4.170 -0.000 0.000 0.286 40 I C 1.375 177.423 176.117 -0.115 0.000 1.181 40 I CA 0.234 61.419 61.300 -0.191 0.000 1.430 40 I CB 0.883 38.652 38.000 -0.385 0.000 1.367 40 I HN 0.403 nan 8.210 nan 0.000 0.577 41 A N 5.274 128.029 122.820 -0.109 0.000 2.462 41 A HA 0.047 4.367 4.320 -0.000 0.000 0.243 41 A C 1.341 178.907 177.584 -0.030 0.000 1.076 41 A CA -0.244 51.757 52.037 -0.060 0.000 0.773 41 A CB 0.209 19.173 19.000 -0.059 0.000 1.010 41 A HN 0.930 nan 8.150 nan 0.000 0.493 42 E N 0.965 121.157 120.200 -0.014 0.000 2.130 42 E HA -0.194 4.155 4.350 -0.000 0.000 0.196 42 E C 0.936 177.540 176.600 0.007 0.000 0.998 42 E CA 1.772 58.176 56.400 0.007 0.000 0.806 42 E CB 0.007 29.708 29.700 0.002 0.000 0.738 42 E HN 0.816 nan 8.360 nan 0.000 0.459 43 T N -0.994 113.549 114.554 -0.019 0.000 3.313 43 T HA 0.213 4.563 4.350 -0.000 0.000 0.263 43 T C -0.244 174.432 174.700 -0.040 0.000 0.983 43 T CA -0.582 61.495 62.100 -0.037 0.000 0.963 43 T CB 0.510 69.335 68.868 -0.072 0.000 1.141 43 T HN -0.064 nan 8.240 nan 0.000 0.526 44 E N 2.260 122.460 120.200 0.001 0.000 2.465 44 E HA 0.105 4.455 4.350 -0.000 0.000 0.260 44 E C 1.290 177.914 176.600 0.039 0.000 0.980 44 E CA 0.477 56.883 56.400 0.011 0.000 0.927 44 E CB 0.860 30.562 29.700 0.003 0.000 0.934 44 E HN 0.502 nan 8.360 nan 0.000 0.459 45 T N 0.998 115.543 114.554 -0.015 0.000 3.015 45 T HA 0.176 4.526 4.350 -0.000 0.000 0.250 45 T C 0.339 175.045 174.700 0.010 0.000 1.057 45 T CA -0.150 61.915 62.100 -0.058 0.000 1.066 45 T CB 0.124 68.897 68.868 -0.158 0.000 0.959 45 T HN 0.260 nan 8.240 nan 0.000 0.488 46 K N 1.582 122.017 120.400 0.059 0.000 2.292 46 K HA 0.348 4.668 4.320 -0.000 0.000 0.290 46 K C 0.967 177.701 176.600 0.224 0.000 1.083 46 K CA -0.324 56.022 56.287 0.098 0.000 0.918 46 K CB 0.963 33.499 32.500 0.060 0.000 1.089 46 K HN 0.173 nan 8.250 nan 0.000 0.473 47 M N 2.346 122.078 119.600 0.220 0.000 2.143 47 M HA -0.266 4.213 4.480 -0.000 0.000 0.258 47 M C 1.850 178.427 176.300 0.461 0.000 1.071 47 M CA 2.149 57.633 55.300 0.307 0.000 1.088 47 M CB -0.039 32.683 32.600 0.203 0.000 1.360 47 M HN 0.648 nan 8.290 nan 0.000 0.404 48 S N 0.053 115.940 115.700 0.312 0.000 2.469 48 S HA -0.052 4.418 4.470 -0.000 0.000 0.238 48 S C 1.833 176.475 174.600 0.070 0.000 0.998 48 S CA 0.877 59.179 58.200 0.170 0.000 0.957 48 S CB -0.813 62.446 63.200 0.098 0.000 0.764 48 S HN 0.591 nan 8.310 nan 0.000 0.514 49 A N 0.154 123.035 122.820 0.101 0.000 2.168 49 A HA 0.302 4.622 4.320 -0.000 0.000 0.215 49 A C 1.451 178.918 177.584 -0.195 0.000 1.152 49 A CA 0.568 52.548 52.037 -0.094 0.000 0.716 49 A CB -0.709 18.174 19.000 -0.195 0.000 0.794 49 A HN 0.586 nan 8.150 nan 0.000 0.465 50 F N -0.804 119.169 119.950 0.038 0.000 2.717 50 F HA 0.198 4.725 4.527 -0.001 0.000 0.295 50 F C 1.921 177.761 175.800 0.065 0.000 1.117 50 F CA 0.577 58.651 58.000 0.123 0.000 1.361 50 F CB 0.166 39.255 39.000 0.149 0.000 1.112 50 F HN 0.125 nan 8.300 nan 0.000 0.594 51 K N 0.907 121.298 120.400 -0.016 0.000 2.103 51 K HA -0.131 4.189 4.320 -0.000 0.000 0.207 51 K C 2.300 178.788 176.600 -0.186 0.000 1.048 51 K CA 1.568 57.627 56.287 -0.380 0.000 0.930 51 K CB -0.565 31.371 32.500 -0.939 0.000 0.716 51 K HN 0.339 nan 8.250 nan 0.000 0.444 52 G N 0.556 109.264 108.800 -0.154 0.000 2.414 52 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.215 52 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.215 52 G C 1.219 176.001 174.900 -0.197 0.000 1.188 52 G CA 0.570 45.576 45.100 -0.156 0.000 0.783 52 G HN 0.416 nan 8.290 nan 0.000 0.537 53 Q N -0.895 118.733 119.800 -0.286 0.000 2.432 53 Q HA 0.199 4.539 4.340 -0.000 0.000 0.205 53 Q C -0.153 175.290 176.000 -0.928 0.000 0.945 53 Q CA 0.269 55.702 55.803 -0.616 0.000 0.924 53 Q CB 0.281 28.547 28.738 -0.786 0.000 1.016 53 Q HN 0.553 nan 8.270 nan 0.000 0.503 54 F N -0.000 119.952 119.950 0.003 0.000 2.593 54 F HA 0.264 4.791 4.527 -0.000 0.000 0.336 54 F C -1.866 173.960 175.800 0.044 0.000 1.491 54 F CA -1.791 56.222 58.000 0.021 0.000 1.114 54 F CB 1.296 40.314 39.000 0.030 0.000 1.468 54 F HN -0.074 nan 8.300 nan 0.000 0.579 55 P HA -0.187 nan 4.420 nan 0.000 0.217 55 P C 1.208 178.601 177.300 0.155 0.000 1.150 55 P CA 1.531 64.693 63.100 0.103 0.000 0.832 55 P CB 0.459 32.176 31.700 0.029 0.000 0.787 56 Q N -0.253 119.628 119.800 0.134 0.000 2.016 56 Q HA -0.186 4.154 4.340 -0.000 0.000 0.200 56 Q C 2.546 178.614 176.000 0.114 0.000 0.978 56 Q CA 1.635 57.510 55.803 0.120 0.000 0.833 56 Q CB -0.409 28.397 28.738 0.112 0.000 0.895 56 Q HN 0.205 nan 8.270 nan 0.000 0.427 57 Q N -0.672 119.173 119.800 0.075 0.000 2.119 57 Q HA -0.177 4.163 4.340 -0.000 0.000 0.201 57 Q C 1.606 177.591 176.000 -0.026 0.000 0.972 57 Q CA 1.384 57.118 55.803 -0.115 0.000 0.847 57 Q CB -0.369 28.120 28.738 -0.414 0.000 0.903 57 Q HN 0.438 nan 8.270 nan 0.000 0.433 58 Y N 0.508 120.801 120.300 -0.012 0.000 2.128 58 Y HA -0.265 4.285 4.550 -0.001 0.000 0.284 58 Y C 2.150 178.103 175.900 0.089 0.000 1.154 58 Y CA 1.617 59.746 58.100 0.049 0.000 1.149 58 Y CB -0.345 38.162 38.460 0.078 0.000 0.976 58 Y HN 0.126 nan 8.280 nan 0.000 0.505 59 A N -1.381 121.582 122.820 0.239 0.000 1.972 59 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 59 A C 2.423 180.026 177.584 0.030 0.000 1.169 59 A CA 1.765 53.877 52.037 0.127 0.000 0.635 59 A CB -1.173 17.898 19.000 0.118 0.000 0.810 59 A HN 0.489 nan 8.150 nan 0.000 0.446 60 S N -2.161 113.585 115.700 0.078 0.000 2.368 60 S HA -0.145 4.325 4.470 -0.000 0.000 0.224 60 S C 1.852 176.534 174.600 0.138 0.000 1.029 60 S CA 1.306 59.571 58.200 0.108 0.000 0.988 60 S CB -0.475 62.849 63.200 0.207 0.000 0.838 60 S HN 0.641 nan 8.310 nan 0.000 0.462 61 Y N 1.325 121.619 120.300 -0.009 0.000 2.293 61 Y HA 0.020 4.569 4.550 -0.001 0.000 0.291 61 Y C 2.077 177.894 175.900 -0.138 0.000 1.137 61 Y CA 1.308 59.391 58.100 -0.028 0.000 1.202 61 Y CB -0.184 38.207 38.460 -0.116 0.000 0.990 61 Y HN 0.242 nan 8.280 nan 0.000 0.537 62 M N -0.094 119.404 119.600 -0.170 0.000 2.374 62 M HA -0.174 4.306 4.480 -0.000 0.000 0.264 62 M C 1.742 177.898 176.300 -0.239 0.000 1.067 62 M CA 1.316 56.475 55.300 -0.234 0.000 1.103 62 M CB -0.812 31.681 32.600 -0.179 0.000 1.402 62 M HN 0.191 nan 8.290 nan 0.000 0.444 63 K N 0.164 120.398 120.400 -0.276 0.000 2.360 63 K HA -0.107 4.213 4.320 -0.000 0.000 0.201 63 K C 1.307 177.667 176.600 -0.399 0.000 1.046 63 K CA 0.619 56.595 56.287 -0.518 0.000 0.940 63 K CB -0.207 31.752 32.500 -0.901 0.000 0.748 63 K HN 0.384 nan 8.250 nan 0.000 0.465 64 N N 1.257 119.857 118.700 -0.167 0.000 2.573 64 N HA -0.089 4.650 4.740 -0.000 0.000 0.187 64 N C 0.764 176.258 175.510 -0.026 0.000 1.107 64 N CA 0.613 53.651 53.050 -0.021 0.000 0.918 64 N CB -0.060 38.278 38.487 -0.248 0.000 0.966 64 N HN 0.229 nan 8.380 nan 0.000 0.448 65 N N 1.036 119.675 118.700 -0.102 0.000 2.515 65 N HA -0.079 4.661 4.740 -0.000 0.000 0.185 65 N C 0.323 175.966 175.510 0.221 0.000 1.109 65 N CA 0.268 53.311 53.050 -0.012 0.000 0.903 65 N CB 0.185 38.599 38.487 -0.121 0.000 0.969 65 N HN 0.340 nan 8.380 nan 0.000 0.450 66 E N 2.260 122.539 120.200 0.131 0.000 2.217 66 E HA -0.031 4.319 4.350 -0.000 0.000 0.279 66 E C -0.823 175.888 176.600 0.184 0.000 1.068 66 E CA 0.060 56.542 56.400 0.135 0.000 0.882 66 E CB 0.372 30.134 29.700 0.104 0.000 1.039 66 E HN 0.171 nan 8.360 nan 0.000 0.418 67 D N 4.122 124.593 120.400 0.118 0.000 2.938 67 D HA 0.178 4.818 4.640 -0.000 0.000 0.369 67 D C 0.425 176.726 176.300 0.002 0.000 1.301 67 D CA -0.402 53.623 54.000 0.041 0.000 0.805 67 D CB 0.097 40.846 40.800 -0.085 0.000 1.161 67 D HN 0.372 nan 8.370 nan 0.000 0.474 68 R N -0.438 120.078 120.500 0.027 0.000 2.507 68 R HA 0.283 4.623 4.340 -0.000 0.000 0.230 68 R C 0.239 176.538 176.300 -0.001 0.000 0.897 68 R CA -0.185 55.919 56.100 0.006 0.000 1.006 68 R CB 1.093 31.403 30.300 0.017 0.000 1.341 68 R HN 0.110 nan 8.270 nan 0.000 0.604 69 I N 1.994 122.576 120.570 0.019 0.000 2.353 69 I HA 0.303 4.472 4.170 -0.000 0.000 0.293 69 I C -0.026 176.068 176.117 -0.037 0.000 0.992 69 I CA -0.378 60.925 61.300 0.006 0.000 1.268 69 I CB 1.263 39.294 38.000 0.051 0.000 1.387 69 I HN -0.008 nan 8.210 nan 0.000 0.478 70 M N 5.231 124.786 119.600 -0.075 0.000 2.472 70 M HA 0.375 4.855 4.480 -0.000 0.000 0.331 70 M C 0.579 176.836 176.300 -0.072 0.000 1.170 70 M CA -0.437 54.777 55.300 -0.142 0.000 1.009 70 M CB 1.884 34.314 32.600 -0.284 0.000 1.672 70 M HN 0.745 nan 8.290 nan 0.000 0.453 71 T N -2.473 112.048 114.554 -0.055 0.000 2.906 71 T HA 0.343 4.693 4.350 -0.000 0.000 0.283 71 T C 0.810 175.531 174.700 0.035 0.000 1.098 71 T CA -0.528 61.567 62.100 -0.009 0.000 0.960 71 T CB 0.746 69.610 68.868 -0.005 0.000 1.776 71 T HN 0.557 nan 8.240 nan 0.000 0.594 72 D N -0.381 120.033 120.400 0.022 0.000 2.117 72 D HA -0.040 4.600 4.640 -0.000 0.000 0.198 72 D C 1.168 177.350 176.300 -0.196 0.000 0.982 72 D CA 1.668 55.612 54.000 -0.093 0.000 0.828 72 D CB 0.028 40.774 40.800 -0.091 0.000 0.967 72 D HN 0.576 nan 8.370 nan 0.000 0.464 73 Y N -0.752 119.670 120.300 0.205 0.000 2.425 73 Y HA 0.174 4.724 4.550 -0.000 0.000 0.261 73 Y C 1.132 177.168 175.900 0.227 0.000 1.084 73 Y CA -0.227 58.016 58.100 0.237 0.000 1.248 73 Y CB 0.861 39.348 38.460 0.044 0.000 1.270 73 Y HN -0.311 nan 8.280 nan 0.000 0.524 74 K N -0.207 120.324 120.400 0.219 0.000 2.082 74 K HA 0.856 5.176 4.320 -0.000 0.000 0.242 74 K C 0.087 176.682 176.600 -0.010 0.000 1.070 74 K CA -0.087 56.271 56.287 0.119 0.000 0.892 74 K CB 1.152 33.714 32.500 0.103 0.000 1.417 74 K HN 0.145 nan 8.250 nan 0.000 0.541 75 G N -0.485 108.304 108.800 -0.019 0.000 2.357 75 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.289 75 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.289 75 G C -0.836 174.042 174.900 -0.036 0.000 1.302 75 G CA -0.361 44.706 45.100 -0.056 0.000 0.936 75 G HN 0.240 nan 8.290 nan 0.000 0.513 76 S N -0.648 115.034 115.700 -0.030 0.000 2.663 76 S HA 0.410 4.880 4.470 -0.000 0.000 0.243 76 S C 0.190 174.772 174.600 -0.030 0.000 1.009 76 S CA 0.028 58.223 58.200 -0.009 0.000 0.988 76 S CB 0.796 64.021 63.200 0.043 0.000 0.896 76 S HN 0.798 nan 8.310 nan 0.000 0.502 77 V N 4.719 124.608 119.914 -0.043 0.000 2.370 77 V HA 0.310 4.430 4.120 -0.000 0.000 0.279 77 V C -2.215 173.869 176.094 -0.016 0.000 1.029 77 V CA -1.964 60.312 62.300 -0.040 0.000 0.870 77 V CB 1.180 32.972 31.823 -0.051 0.000 0.984 77 V HN 0.088 nan 8.190 nan 0.000 0.451 78 P HA 0.106 nan 4.420 nan 0.000 0.225 78 P C -0.437 176.811 177.300 -0.088 0.000 1.768 78 P CA -0.211 62.828 63.100 -0.101 0.000 0.943 78 P CB -0.728 30.918 31.700 -0.090 0.000 1.936 79 Y N -1.124 119.110 120.300 -0.109 0.000 2.357 79 Y HA 0.216 4.766 4.550 -0.001 0.000 0.340 79 Y C 0.473 176.386 175.900 0.022 0.000 1.260 79 Y CA -0.922 57.110 58.100 -0.114 0.000 1.425 79 Y CB -0.293 38.108 38.460 -0.098 0.000 1.326 79 Y HN 0.129 nan 8.280 nan 0.000 0.580 80 H N 2.731 121.845 119.070 0.074 0.000 2.955 80 H HA 0.101 4.656 4.556 -0.001 0.000 0.290 80 H C 0.539 175.910 175.328 0.070 0.000 1.047 80 H CA -0.339 55.725 56.048 0.026 0.000 1.484 80 H CB 0.858 30.693 29.762 0.122 0.000 1.501 80 H HN 0.701 nan 8.280 nan 0.000 0.521 81 K N 2.355 122.749 120.400 -0.010 0.000 2.360 81 K HA -0.137 4.183 4.320 -0.000 0.000 0.201 81 K C 1.347 178.166 176.600 0.366 0.000 1.046 81 K CA 0.933 57.268 56.287 0.081 0.000 0.945 81 K CB 0.112 32.548 32.500 -0.106 0.000 0.750 81 K HN 0.689 nan 8.250 nan 0.000 0.464 82 N N 0.085 118.993 118.700 0.346 0.000 2.299 82 N HA -0.086 4.653 4.740 -0.000 0.000 0.187 82 N C -0.248 175.411 175.510 0.248 0.000 1.099 82 N CA 0.297 53.516 53.050 0.282 0.000 0.867 82 N CB 0.268 38.900 38.487 0.242 0.000 0.974 82 N HN -0.076 nan 8.380 nan 0.000 0.477 83 D N 1.880 122.468 120.400 0.314 0.000 2.428 83 D HA 0.074 4.714 4.640 -0.000 0.000 0.221 83 D C -0.079 176.345 176.300 0.206 0.000 1.123 83 D CA -0.374 53.775 54.000 0.248 0.000 0.869 83 D CB 0.335 41.304 40.800 0.281 0.000 1.032 83 D HN 0.261 nan 8.370 nan 0.000 0.506 84 N N 3.017 121.790 118.700 0.121 0.000 2.238 84 N HA -0.005 4.734 4.740 -0.000 0.000 0.222 84 N C 0.555 176.070 175.510 0.007 0.000 1.133 84 N CA -0.192 52.891 53.050 0.054 0.000 0.854 84 N CB 0.468 38.987 38.487 0.052 0.000 1.041 84 N HN 0.166 nan 8.380 nan 0.000 0.510 85 V N -0.223 119.708 119.914 0.029 0.000 2.627 85 V HA 0.128 4.248 4.120 -0.000 0.000 0.239 85 V C 0.712 176.809 176.094 0.004 0.000 1.077 85 V CA 0.427 62.733 62.300 0.010 0.000 1.103 85 V CB -0.302 31.535 31.823 0.022 0.000 0.802 85 V HN 0.276 nan 8.190 nan 0.000 0.482 86 N N 0.957 119.672 118.700 0.024 0.000 2.445 86 N HA 0.292 5.031 4.740 -0.000 0.000 0.264 86 N C -2.510 172.996 175.510 -0.007 0.000 1.227 86 N CA -1.075 51.982 53.050 0.012 0.000 0.963 86 N CB 0.693 39.196 38.487 0.027 0.000 1.188 86 N HN 0.161 nan 8.380 nan 0.000 0.491 87 P HA 0.160 nan 4.420 nan 0.000 0.273 87 P C 0.020 177.303 177.300 -0.027 0.000 1.250 87 P CA -0.249 62.836 63.100 -0.026 0.000 0.793 87 P CB 0.662 32.347 31.700 -0.025 0.000 1.011 88 L N 2.025 123.229 121.223 -0.031 0.000 2.439 88 L HA 0.191 4.531 4.340 -0.000 0.000 0.269 88 L C -0.985 175.861 176.870 -0.039 0.000 1.179 88 L CA -1.124 53.692 54.840 -0.040 0.000 0.828 88 L CB 0.017 42.045 42.059 -0.052 0.000 1.106 88 L HN 0.392 nan 8.230 nan 0.000 0.467 89 P HA 0.098 nan 4.420 nan 0.000 0.249 89 P C 0.305 177.562 177.300 -0.072 0.000 1.583 89 P CA 0.138 63.211 63.100 -0.045 0.000 0.988 89 P CB 0.410 32.080 31.700 -0.050 0.000 1.530 90 K N -0.068 120.277 120.400 -0.093 0.000 2.190 90 K HA 0.230 4.550 4.320 -0.000 0.000 0.202 90 K C 1.049 177.606 176.600 -0.073 0.000 1.045 90 K CA 0.794 56.953 56.287 -0.215 0.000 0.976 90 K CB 0.161 32.575 32.500 -0.144 0.000 0.849 90 K HN 0.186 nan 8.250 nan 0.000 0.468 91 G N -0.495 108.323 108.800 0.029 0.000 3.042 91 G HA2 0.549 4.508 3.960 -0.000 0.000 0.278 91 G HA3 0.549 4.508 3.960 -0.000 0.000 0.278 91 G C -1.795 173.093 174.900 -0.020 0.000 1.371 91 G CA -0.479 44.686 45.100 0.109 0.000 1.009 91 G HN 0.106 nan 8.290 nan 0.000 0.523 92 F N -0.517 119.232 119.950 -0.335 0.000 2.650 92 F HA 0.361 4.888 4.527 -0.000 0.000 0.310 92 F C 1.257 176.864 175.800 -0.323 0.000 1.112 92 F CA -1.475 56.192 58.000 -0.555 0.000 0.986 92 F CB 2.027 40.241 39.000 -1.310 0.000 1.285 92 F HN 0.614 nan 8.300 nan 0.000 0.440 93 K N 1.402 121.247 120.400 -0.925 0.000 2.280 93 K HA -0.090 4.230 4.320 -0.000 0.000 0.202 93 K C -0.054 176.171 176.600 -0.625 0.000 1.047 93 K CA 1.880 57.727 56.287 -0.734 0.000 0.942 93 K CB -0.377 31.659 32.500 -0.774 0.000 0.739 93 K HN 0.771 nan 8.250 nan 0.000 0.457 94 H N 0.529 119.039 119.070 -0.933 0.000 2.591 94 H HA 0.385 4.941 4.556 -0.000 0.000 0.302 94 H C -0.158 175.273 175.328 0.172 0.000 1.163 94 H CA -0.887 54.852 56.048 -0.515 0.000 1.049 94 H CB 0.643 29.870 29.762 -0.891 0.000 1.543 94 H HN 0.333 nan 8.280 nan 0.000 0.523 95 A N 0.762 123.808 122.820 0.376 0.000 2.246 95 A HA 0.320 4.640 4.320 -0.000 0.000 0.291 95 A C -0.009 177.856 177.584 0.469 0.000 1.103 95 A CA -0.714 51.641 52.037 0.530 0.000 0.844 95 A CB 0.692 19.962 19.000 0.451 0.000 1.136 95 A HN 0.514 nan 8.150 nan 0.000 0.500 96 Q N 0.404 120.425 119.800 0.369 0.000 2.506 96 Q HA 0.255 4.595 4.340 -0.000 0.000 0.242 96 Q C -2.038 174.021 176.000 0.098 0.000 1.060 96 Q CA -1.840 54.075 55.803 0.185 0.000 0.826 96 Q CB 1.305 30.145 28.738 0.171 0.000 1.169 96 Q HN 0.453 nan 8.270 nan 0.000 0.521 97 P HA -0.231 nan 4.420 nan 0.000 0.216 97 P C 0.258 177.487 177.300 -0.118 0.000 1.150 97 P CA 1.472 64.525 63.100 -0.077 0.000 0.843 97 P CB 0.121 31.689 31.700 -0.220 0.000 0.787 98 Y N -1.289 118.938 120.300 -0.123 0.000 2.490 98 Y HA 0.091 4.641 4.550 -0.000 0.000 0.281 98 Y C 2.162 177.933 175.900 -0.216 0.000 1.174 98 Y CA -0.461 57.531 58.100 -0.180 0.000 1.295 98 Y CB -0.428 37.878 38.460 -0.257 0.000 1.062 98 Y HN -0.164 nan 8.280 nan 0.000 0.522 99 L N -0.066 121.116 121.223 -0.069 0.000 2.013 99 L HA -0.329 4.011 4.340 -0.000 0.000 0.212 99 L C 2.220 179.009 176.870 -0.136 0.000 1.073 99 L CA 1.717 56.374 54.840 -0.305 0.000 0.753 99 L CB -0.492 41.492 42.059 -0.126 0.000 0.890 99 L HN 0.217 nan 8.230 nan 0.000 0.432 100 K N 0.006 120.478 120.400 0.120 0.000 2.063 100 K HA -0.176 4.143 4.320 -0.000 0.000 0.208 100 K C 1.857 178.589 176.600 0.219 0.000 1.048 100 K CA 1.855 58.271 56.287 0.216 0.000 0.928 100 K CB -0.298 32.325 32.500 0.205 0.000 0.713 100 K HN 0.323 nan 8.250 nan 0.000 0.442 101 N N 1.127 119.959 118.700 0.220 0.000 2.069 101 N HA -0.150 4.590 4.740 -0.000 0.000 0.191 101 N C 1.702 177.474 175.510 0.437 0.000 1.031 101 N CA 1.098 54.363 53.050 0.359 0.000 0.852 101 N CB -0.312 38.282 38.487 0.179 0.000 1.018 101 N HN 0.065 nan 8.380 nan 0.000 0.423 102 L N -1.158 120.170 121.223 0.175 0.000 2.265 102 L HA -0.073 4.267 4.340 -0.000 0.000 0.215 102 L C 0.859 177.971 176.870 0.404 0.000 1.117 102 L CA 0.617 55.568 54.840 0.185 0.000 0.782 102 L CB -0.125 41.919 42.059 -0.024 0.000 0.914 102 L HN 0.358 nan 8.230 nan 0.000 0.441 103 W N -0.640 120.868 121.300 0.348 0.000 2.966 103 W HA 0.305 4.965 4.660 -0.000 0.000 0.406 103 W C 0.125 176.606 176.519 -0.064 0.000 1.027 103 W CA -1.542 55.880 57.345 0.129 0.000 1.930 103 W CB -0.412 29.054 29.460 0.010 0.000 1.144 103 W HN -0.084 nan 8.180 nan 0.000 0.626 104 L N 1.702 122.993 121.223 0.114 0.000 2.601 104 L HA 0.255 4.595 4.340 -0.000 0.000 0.277 104 L C 1.405 178.200 176.870 -0.125 0.000 1.219 104 L CA 2.342 57.121 54.840 -0.100 0.000 0.915 104 L CB 0.206 42.129 42.059 -0.227 0.000 1.160 104 L HN 0.444 nan 8.230 nan 0.000 0.494 105 G N 2.211 110.949 108.800 -0.103 0.000 2.176 105 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.232 105 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.232 105 G C -0.337 174.503 174.900 -0.100 0.000 0.986 105 G CA 0.099 45.197 45.100 -0.003 0.000 0.643 105 G HN 0.669 nan 8.290 nan 0.000 0.522 106 Y N 0.374 120.311 120.300 -0.605 0.000 2.524 106 Y HA 0.613 5.163 4.550 -0.000 0.000 0.344 106 Y C -1.844 173.772 175.900 -0.473 0.000 1.012 106 Y CA -2.083 55.561 58.100 -0.761 0.000 1.068 106 Y CB 2.074 39.543 38.460 -1.653 0.000 1.249 106 Y HN -0.062 nan 8.280 nan 0.000 0.468 107 P HA -0.178 nan 4.420 nan 0.000 0.218 107 P C 1.136 178.245 177.300 -0.317 0.000 1.146 107 P CA 1.661 64.531 63.100 -0.384 0.000 0.813 107 P CB -0.009 31.482 31.700 -0.348 0.000 0.778 108 F N -0.516 119.128 119.950 -0.511 0.000 2.583 108 F HA -0.092 4.434 4.527 -0.000 0.000 0.297 108 F C 2.098 177.908 175.800 0.016 0.000 1.131 108 F CA 0.944 58.767 58.000 -0.296 0.000 1.467 108 F CB -1.060 37.504 39.000 -0.727 0.000 1.097 108 F HN -0.020 nan 8.300 nan 0.000 0.586 109 M N -2.660 116.941 119.600 0.003 0.000 2.562 109 M HA -0.096 4.383 4.480 -0.000 0.000 0.257 109 M C 1.174 177.454 176.300 -0.033 0.000 1.099 109 M CA 1.644 56.951 55.300 0.013 0.000 1.099 109 M CB -0.791 31.720 32.600 -0.149 0.000 1.427 109 M HN 0.148 nan 8.290 nan 0.000 0.489 110 Y N 0.673 121.004 120.300 0.051 0.000 2.262 110 Y HA 0.298 4.848 4.550 -0.000 0.000 0.295 110 Y C 0.824 176.699 175.900 -0.042 0.000 1.121 110 Y CA 0.140 58.233 58.100 -0.012 0.000 1.144 110 Y CB 0.480 38.900 38.460 -0.067 0.000 1.043 110 Y HN 0.305 nan 8.280 nan 0.000 0.528 111 E N -1.015 119.242 120.200 0.095 0.000 2.378 111 E HA 0.230 4.580 4.350 -0.000 0.000 0.283 111 E C -2.239 174.379 176.600 0.029 0.000 0.979 111 E CA -0.740 55.661 56.400 0.002 0.000 0.795 111 E CB 2.106 31.761 29.700 -0.074 0.000 1.221 111 E HN 0.005 nan 8.360 nan 0.000 0.428 112 Y N 3.833 124.097 120.300 -0.059 0.000 2.262 112 Y HA 0.399 4.948 4.550 -0.000 0.000 0.317 112 Y C -2.027 173.904 175.900 0.052 0.000 1.230 112 Y CA -0.737 57.345 58.100 -0.029 0.000 1.166 112 Y CB 0.618 39.176 38.460 0.164 0.000 1.254 112 Y HN 0.489 nan 8.280 nan 0.000 0.405 113 N N 3.276 121.748 118.700 -0.380 0.000 2.381 113 N HA 0.267 5.006 4.740 -0.000 0.000 0.294 113 N C -0.987 174.222 175.510 -0.503 0.000 1.216 113 N CA -0.962 51.849 53.050 -0.399 0.000 0.803 113 N CB 1.628 40.024 38.487 -0.152 0.000 1.372 113 N HN 0.721 nan 8.380 nan 0.000 0.500 114 E N 0.425 120.283 120.200 -0.570 0.000 2.418 114 E HA 0.084 4.433 4.350 -0.000 0.000 0.261 114 E C -0.418 176.068 176.600 -0.189 0.000 1.070 114 E CA -0.079 56.084 56.400 -0.396 0.000 0.931 114 E CB 0.361 29.784 29.700 -0.461 0.000 0.954 114 E HN 0.563 nan 8.360 nan 0.000 0.439 115 T N 1.516 116.022 114.554 -0.080 0.000 2.922 115 T HA 0.588 4.938 4.350 -0.000 0.000 0.285 115 T C 0.336 175.031 174.700 -0.009 0.000 1.005 115 T CA -0.829 61.260 62.100 -0.019 0.000 1.061 115 T CB 1.113 70.002 68.868 0.036 0.000 1.007 115 T HN 0.416 nan 8.240 nan 0.000 0.502 116 R N 0.267 120.779 120.500 0.020 0.000 2.843 116 R HA 0.655 4.994 4.340 -0.000 0.000 0.232 116 R C 0.950 177.307 176.300 0.096 0.000 1.305 116 R CA -0.984 55.153 56.100 0.061 0.000 1.096 116 R CB 0.676 31.006 30.300 0.051 0.000 1.455 116 R HN 0.875 nan 8.270 nan 0.000 0.520 117 G N -0.783 108.112 108.800 0.158 0.000 2.634 117 G HA2 -0.004 3.955 3.960 -0.000 0.000 0.255 117 G HA3 -0.004 3.955 3.960 -0.000 0.000 0.255 117 G C 0.279 175.186 174.900 0.012 0.000 1.205 117 G CA -0.200 44.904 45.100 0.005 0.000 0.884 117 G HN 0.710 nan 8.290 nan 0.000 0.549 118 H N -0.672 118.363 119.070 -0.058 0.000 2.426 118 H HA -0.169 4.386 4.556 -0.001 0.000 0.298 118 H C 2.755 178.028 175.328 -0.091 0.000 1.107 118 H CA 1.722 57.735 56.048 -0.059 0.000 1.298 118 H CB 0.155 29.894 29.762 -0.039 0.000 1.377 118 H HN 0.567 nan 8.280 nan 0.000 0.519 119 T N -1.547 112.928 114.554 -0.131 0.000 2.977 119 T HA -0.173 4.176 4.350 -0.000 0.000 0.271 119 T C 0.922 175.483 174.700 -0.231 0.000 1.105 119 T CA 0.977 62.943 62.100 -0.223 0.000 1.116 119 T CB -0.203 68.412 68.868 -0.421 0.000 0.878 119 T HN 0.389 nan 8.240 nan 0.000 0.509 120 Y N 0.420 120.742 120.300 0.037 0.000 2.507 120 Y HA 0.696 5.246 4.550 -0.001 0.000 0.254 120 Y C 2.359 178.277 175.900 0.030 0.000 1.171 120 Y CA -0.997 57.121 58.100 0.029 0.000 1.238 120 Y CB -0.442 38.040 38.460 0.037 0.000 1.148 120 Y HN 0.241 nan 8.280 nan 0.000 0.525 121 A N 0.820 123.735 122.820 0.158 0.000 1.884 121 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 121 A C 2.155 179.808 177.584 0.115 0.000 1.197 121 A CA 2.200 54.307 52.037 0.117 0.000 0.637 121 A CB -0.809 18.229 19.000 0.064 0.000 0.827 121 A HN 0.465 nan 8.150 nan 0.000 0.450 122 I N -0.555 120.075 120.570 0.100 0.000 2.202 122 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 122 I C 2.044 178.261 176.117 0.166 0.000 1.091 122 I CA 1.464 62.859 61.300 0.158 0.000 1.368 122 I CB -0.681 37.426 38.000 0.180 0.000 1.058 122 I HN 0.254 nan 8.210 nan 0.000 0.410 123 D N 1.269 121.728 120.400 0.098 0.000 2.126 123 D HA -0.218 4.421 4.640 -0.000 0.000 0.190 123 D C 1.790 178.148 176.300 0.097 0.000 1.001 123 D CA 1.555 55.612 54.000 0.095 0.000 0.841 123 D CB -0.457 40.431 40.800 0.147 0.000 0.949 123 D HN 0.287 nan 8.370 nan 0.000 0.446 124 D N -0.518 119.949 120.400 0.112 0.000 2.117 124 D HA -0.140 4.500 4.640 -0.000 0.000 0.197 124 D C 1.916 178.258 176.300 0.071 0.000 0.987 124 D CA 0.321 54.364 54.000 0.071 0.000 0.829 124 D CB -0.506 40.337 40.800 0.072 0.000 0.961 124 D HN 0.155 nan 8.370 nan 0.000 0.460 125 F N 1.397 121.306 119.950 -0.069 0.000 2.091 125 F HA -0.149 4.378 4.527 -0.001 0.000 0.299 125 F C 2.067 177.763 175.800 -0.174 0.000 1.103 125 F CA 1.248 59.155 58.000 -0.155 0.000 1.228 125 F CB -0.259 38.602 39.000 -0.232 0.000 0.984 125 F HN -0.094 nan 8.300 nan 0.000 0.477 126 L N -0.181 121.018 121.223 -0.041 0.000 2.554 126 L HA -0.065 4.275 4.340 -0.000 0.000 0.226 126 L C 1.382 178.180 176.870 -0.120 0.000 1.137 126 L CA 0.314 55.072 54.840 -0.136 0.000 0.863 126 L CB -0.612 41.456 42.059 0.015 0.000 0.985 126 L HN 0.161 nan 8.230 nan 0.000 0.451 127 N N -0.002 118.648 118.700 -0.082 0.000 2.388 127 N HA 0.067 4.807 4.740 -0.000 0.000 0.176 127 N C 0.555 176.011 175.510 -0.091 0.000 1.062 127 N CA 0.063 53.078 53.050 -0.058 0.000 0.895 127 N CB 0.524 39.001 38.487 -0.016 0.000 1.018 127 N HN 0.096 nan 8.380 nan 0.000 0.456 128 I N 1.733 122.215 120.570 -0.146 0.000 2.710 128 I HA -0.107 4.063 4.170 -0.000 0.000 0.286 128 I C 1.300 177.319 176.117 -0.164 0.000 1.181 128 I CA 0.183 61.388 61.300 -0.158 0.000 1.430 128 I CB 0.758 38.635 38.000 -0.206 0.000 1.367 128 I HN -0.041 nan 8.210 nan 0.000 0.577 129 D N 5.140 125.474 120.400 -0.110 0.000 2.363 129 D HA -0.044 4.595 4.640 -0.000 0.000 0.220 129 D C 1.815 178.055 176.300 -0.101 0.000 0.994 129 D CA 0.961 54.909 54.000 -0.086 0.000 0.890 129 D CB 0.262 41.028 40.800 -0.056 0.000 0.906 129 D HN 0.515 nan 8.370 nan 0.000 0.530 130 R N -0.224 120.202 120.500 -0.124 0.000 2.096 130 R HA -0.006 4.334 4.340 -0.000 0.000 0.235 130 R C 0.629 176.846 176.300 -0.139 0.000 1.127 130 R CA 0.568 56.597 56.100 -0.118 0.000 0.968 130 R CB -0.122 30.008 30.300 -0.284 0.000 0.861 130 R HN 0.272 nan 8.270 nan 0.000 0.440 131 I N 2.538 122.973 120.570 -0.226 0.000 2.416 131 I HA -0.030 4.139 4.170 -0.000 0.000 0.288 131 I C 0.377 176.403 176.117 -0.153 0.000 1.051 131 I CA -0.483 60.673 61.300 -0.240 0.000 1.375 131 I CB 0.571 38.319 38.000 -0.420 0.000 1.407 131 I HN 0.010 nan 8.210 nan 0.000 0.516 132 N N 6.033 124.683 118.700 -0.084 0.000 2.454 132 N HA 0.040 4.780 4.740 -0.000 0.000 0.260 132 N C 0.305 175.829 175.510 0.022 0.000 1.218 132 N CA 0.640 53.693 53.050 0.005 0.000 0.904 132 N CB 0.530 39.039 38.487 0.038 0.000 1.065 132 N HN 0.458 nan 8.380 nan 0.000 0.462 133 R N 2.504 123.045 120.500 0.069 0.000 2.535 133 R HA 0.199 4.538 4.340 -0.000 0.000 0.323 133 R C 0.035 176.158 176.300 -0.295 0.000 0.979 133 R CA 0.036 56.092 56.100 -0.073 0.000 1.120 133 R CB 0.436 30.591 30.300 -0.241 0.000 1.306 133 R HN 0.473 nan 8.270 nan 0.000 0.540 134 F N 0.320 120.282 119.950 0.020 0.000 2.688 134 F HA 0.409 4.936 4.527 -0.000 0.000 0.310 134 F C 0.841 176.642 175.800 0.002 0.000 1.098 134 F CA -0.666 57.331 58.000 -0.005 0.000 1.228 134 F CB 0.787 39.760 39.000 -0.046 0.000 1.042 134 F HN -0.096 nan 8.300 nan 0.000 0.557 135 A N 0.427 123.337 122.820 0.150 0.000 2.331 135 A HA 0.669 4.989 4.320 -0.000 0.000 0.283 135 A C 1.376 178.991 177.584 0.051 0.000 1.142 135 A CA 0.287 52.384 52.037 0.099 0.000 0.812 135 A CB 0.636 19.692 19.000 0.094 0.000 1.074 135 A HN 0.331 nan 8.150 nan 0.000 0.497 136 A N 2.051 124.890 122.820 0.032 0.000 1.865 136 A HA -0.177 4.142 4.320 -0.000 0.000 0.217 136 A C 1.507 179.083 177.584 -0.013 0.000 1.191 136 A CA 2.143 54.179 52.037 -0.002 0.000 0.623 136 A CB -0.753 18.247 19.000 0.001 0.000 0.826 136 A HN 0.921 nan 8.150 nan 0.000 0.444 137 D N -1.532 118.874 120.400 0.010 0.000 2.378 137 D HA 0.203 4.843 4.640 -0.000 0.000 0.222 137 D C 1.213 177.534 176.300 0.037 0.000 0.980 137 D CA 1.066 55.072 54.000 0.010 0.000 0.907 137 D CB -0.935 39.875 40.800 0.017 0.000 0.899 137 D HN 0.968 nan 8.370 nan 0.000 0.527 138 G N -0.014 108.822 108.800 0.060 0.000 2.153 138 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.252 138 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.252 138 G C 0.112 175.205 174.900 0.322 0.000 0.994 138 G CA 0.276 45.485 45.100 0.182 0.000 0.698 138 G HN 0.491 nan 8.290 nan 0.000 0.521 139 K N -0.249 120.247 120.400 0.160 0.000 2.237 139 K HA 0.442 4.762 4.320 -0.000 0.000 0.270 139 K C 1.595 178.238 176.600 0.073 0.000 1.015 139 K CA 0.159 56.507 56.287 0.102 0.000 0.949 139 K CB 0.883 33.414 32.500 0.053 0.000 0.976 139 K HN 0.193 nan 8.250 nan 0.000 0.472 140 G N 1.454 110.256 108.800 0.003 0.000 2.777 140 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.211 140 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.211 140 G C 0.117 175.001 174.900 -0.026 0.000 1.149 140 G CA -0.046 45.022 45.100 -0.055 0.000 0.785 140 G HN 1.037 nan 8.290 nan 0.000 0.536 141 N N -1.565 117.137 118.700 0.002 0.000 2.741 141 N HA -0.139 4.600 4.740 -0.000 0.000 0.251 141 N C -0.643 174.882 175.510 0.025 0.000 1.112 141 N CA 0.320 53.382 53.050 0.020 0.000 0.750 141 N CB -1.123 37.384 38.487 0.032 0.000 1.119 141 N HN 0.298 nan 8.380 nan 0.000 0.561 142 L N -0.902 120.327 121.223 0.011 0.000 2.393 142 L HA 0.632 4.972 4.340 -0.000 0.000 0.260 142 L C -2.432 174.451 176.870 0.022 0.000 1.002 142 L CA -2.001 52.867 54.840 0.047 0.000 0.818 142 L CB 2.271 44.349 42.059 0.032 0.000 1.369 142 L HN -0.292 nan 8.230 nan 0.000 0.412 143 P HA 0.111 nan 4.420 nan 0.000 0.274 143 P C 0.024 177.274 177.300 -0.082 0.000 1.231 143 P CA -0.278 62.758 63.100 -0.106 0.000 0.790 143 P CB 0.900 32.414 31.700 -0.310 0.000 0.951 144 A N 1.886 124.610 122.820 -0.160 0.000 2.125 144 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 144 A C 1.885 179.496 177.584 0.045 0.000 1.156 144 A CA 1.828 53.783 52.037 -0.136 0.000 0.671 144 A CB -1.747 16.738 19.000 -0.858 0.000 0.794 144 A HN 0.539 nan 8.150 nan 0.000 0.459 145 T N -0.768 113.784 114.554 -0.003 0.000 2.822 145 T HA -0.211 4.139 4.350 -0.000 0.000 0.270 145 T C 1.650 176.502 174.700 0.254 0.000 1.064 145 T CA 1.489 63.721 62.100 0.219 0.000 1.131 145 T CB -0.794 67.891 68.868 -0.305 0.000 0.858 145 T HN 0.618 nan 8.240 nan 0.000 0.483 146 C N -0.063 119.364 119.300 0.211 0.000 2.409 146 C HA -0.077 4.382 4.460 -0.000 0.000 0.288 146 C C 2.068 177.077 174.990 0.031 0.000 1.395 146 C CA -0.175 59.006 59.018 0.272 0.000 1.792 146 C CB -1.673 26.271 27.740 0.340 0.000 1.847 146 C HN 0.727 nan 8.230 nan 0.000 0.534 147 W N 0.603 121.983 121.300 0.133 0.000 2.770 147 W HA 0.060 4.720 4.660 -0.001 0.000 0.256 147 W C 2.188 178.744 176.519 0.063 0.000 1.291 147 W CA 0.496 57.834 57.345 -0.011 0.000 1.396 147 W CB -0.608 29.025 29.460 0.288 0.000 1.114 147 W HN 0.345 nan 8.180 nan 0.000 0.637 148 N N -0.020 118.912 118.700 0.386 0.000 2.091 148 N HA -0.203 4.537 4.740 -0.000 0.000 0.193 148 N C 0.732 176.402 175.510 0.266 0.000 1.021 148 N CA 1.841 55.106 53.050 0.358 0.000 0.862 148 N CB -0.341 38.348 38.487 0.337 0.000 1.018 148 N HN -0.031 nan 8.380 nan 0.000 0.429 149 C N -0.156 119.218 119.300 0.122 0.000 2.647 149 C HA 0.412 4.872 4.460 -0.000 0.000 0.296 149 C C 0.897 175.854 174.990 -0.054 0.000 1.403 149 C CA -0.699 58.362 59.018 0.071 0.000 1.781 149 C CB -0.507 27.228 27.740 -0.008 0.000 2.464 149 C HN 0.306 nan 8.230 nan 0.000 0.559 150 K N 0.268 120.626 120.400 -0.070 0.000 2.450 150 K HA 0.197 4.517 4.320 -0.000 0.000 0.206 150 K C 0.370 176.923 176.600 -0.079 0.000 1.148 150 K CA 0.470 56.678 56.287 -0.132 0.000 1.014 150 K CB 1.086 33.371 32.500 -0.358 0.000 0.966 150 K HN 0.389 nan 8.250 nan 0.000 0.566 151 T N 0.469 114.955 114.554 -0.112 0.000 2.957 151 T HA 0.254 4.604 4.350 -0.000 0.000 0.336 151 T C -2.702 171.775 174.700 -0.372 0.000 1.462 151 T CA -1.153 60.828 62.100 -0.199 0.000 1.073 151 T CB 1.806 70.590 68.868 -0.141 0.000 1.319 151 T HN -0.284 nan 8.240 nan 0.000 0.485 152 P HA 0.063 nan 4.420 nan 0.000 0.220 152 P C 1.244 178.266 177.300 -0.464 0.000 1.148 152 P CA 0.679 63.511 63.100 -0.445 0.000 0.803 152 P CB 0.146 31.655 31.700 -0.318 0.000 0.782 153 K N -0.665 119.368 120.400 -0.610 0.000 2.366 153 K HA -0.145 4.175 4.320 -0.000 0.000 0.202 153 K C 1.927 177.839 176.600 -1.146 0.000 1.045 153 K CA 1.119 56.799 56.287 -1.012 0.000 0.934 153 K CB -0.655 30.945 32.500 -1.499 0.000 0.746 153 K HN -0.049 nan 8.250 nan 0.000 0.470 154 M N -0.449 118.735 119.600 -0.692 0.000 2.149 154 M HA -0.203 4.277 4.480 -0.000 0.000 0.261 154 M C 1.945 178.037 176.300 -0.346 0.000 1.064 154 M CA 1.719 56.776 55.300 -0.405 0.000 1.102 154 M CB -0.618 31.954 32.600 -0.045 0.000 1.369 154 M HN 0.307 nan 8.290 nan 0.000 0.408 155 M N -0.593 118.849 119.600 -0.263 0.000 2.086 155 M HA -0.220 4.260 4.480 -0.000 0.000 0.261 155 M C 1.974 178.141 176.300 -0.222 0.000 1.067 155 M CA 1.680 56.871 55.300 -0.181 0.000 1.116 155 M CB -0.391 32.137 32.600 -0.120 0.000 1.348 155 M HN 0.261 nan 8.290 nan 0.000 0.407 156 E N -0.717 119.303 120.200 -0.299 0.000 2.072 156 E HA -0.196 4.154 4.350 -0.000 0.000 0.191 156 E C 1.909 178.431 176.600 -0.130 0.000 0.985 156 E CA 1.096 57.356 56.400 -0.233 0.000 0.801 156 E CB -0.078 29.450 29.700 -0.287 0.000 0.750 156 E HN 0.552 nan 8.360 nan 0.000 0.452 157 W N 0.396 121.496 121.300 -0.334 0.000 2.381 157 W HA -0.095 4.565 4.660 -0.001 0.000 0.301 157 W C 2.181 178.422 176.519 -0.463 0.000 1.205 157 W CA 0.366 57.464 57.345 -0.413 0.000 1.285 157 W CB -1.049 27.866 29.460 -0.908 0.000 1.133 157 W HN -0.052 nan 8.180 nan 0.000 0.521 158 V N -0.089 119.606 119.914 -0.366 0.000 2.515 158 V HA -0.243 3.877 4.120 -0.000 0.000 0.250 158 V C 2.346 178.347 176.094 -0.154 0.000 1.058 158 V CA 2.008 64.100 62.300 -0.347 0.000 1.064 158 V CB -0.987 30.637 31.823 -0.331 0.000 0.675 158 V HN 0.053 nan 8.190 nan 0.000 0.461 159 S N -0.985 114.637 115.700 -0.129 0.000 2.383 159 S HA -0.246 4.224 4.470 -0.000 0.000 0.227 159 S C 1.984 176.521 174.600 -0.106 0.000 1.026 159 S CA 1.637 59.779 58.200 -0.096 0.000 0.981 159 S CB -0.187 62.958 63.200 -0.092 0.000 0.818 159 S HN 0.666 nan 8.310 nan 0.000 0.472 160 Q N -1.009 118.711 119.800 -0.134 0.000 2.137 160 Q HA -0.040 4.300 4.340 -0.000 0.000 0.198 160 Q C 0.946 176.685 176.000 -0.435 0.000 0.960 160 Q CA 1.291 56.914 55.803 -0.299 0.000 0.847 160 Q CB 0.050 28.564 28.738 -0.374 0.000 0.915 160 Q HN 0.677 nan 8.270 nan 0.000 0.448 161 Y N -1.359 118.944 120.300 0.005 0.000 2.430 161 Y HA 0.282 4.832 4.550 -0.001 0.000 0.248 161 Y C 1.216 177.107 175.900 -0.014 0.000 1.108 161 Y CA 0.029 58.144 58.100 0.024 0.000 1.264 161 Y CB 0.896 39.419 38.460 0.104 0.000 1.172 161 Y HN 0.270 nan 8.280 nan 0.000 0.520 162 G N 1.019 109.852 108.800 0.055 0.000 2.564 162 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.273 162 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.273 162 G C 0.374 175.278 174.900 0.006 0.000 1.242 162 G CA 0.405 45.521 45.100 0.026 0.000 0.951 162 G HN 0.281 nan 8.290 nan 0.000 0.564 163 D N 0.503 120.966 120.400 0.105 0.000 2.371 163 D HA -0.003 4.637 4.640 -0.000 0.000 0.221 163 D C 2.253 178.651 176.300 0.164 0.000 0.986 163 D CA 0.903 55.035 54.000 0.220 0.000 0.899 163 D CB -0.006 40.992 40.800 0.330 0.000 0.902 163 D HN 0.513 nan 8.370 nan 0.000 0.530 164 K N -0.208 120.255 120.400 0.105 0.000 2.365 164 K HA -0.083 4.236 4.320 -0.000 0.000 0.199 164 K C 1.763 178.360 176.600 -0.005 0.000 1.045 164 K CA 0.101 56.439 56.287 0.084 0.000 0.962 164 K CB -0.063 32.506 32.500 0.115 0.000 0.759 164 K HN 0.108 nan 8.250 nan 0.000 0.469 165 F N 0.399 120.202 119.950 -0.245 0.000 2.134 165 F HA -0.227 4.300 4.527 -0.001 0.000 0.299 165 F C 1.409 177.014 175.800 -0.325 0.000 1.097 165 F CA 1.474 59.230 58.000 -0.407 0.000 1.264 165 F CB -0.294 38.337 39.000 -0.615 0.000 1.001 165 F HN 0.045 nan 8.300 nan 0.000 0.479 166 W N 0.640 121.893 121.300 -0.078 0.000 2.318 166 W HA -0.233 4.427 4.660 -0.000 0.000 0.313 166 W C 2.794 179.112 176.519 -0.335 0.000 1.221 166 W CA 1.480 58.698 57.345 -0.211 0.000 1.266 166 W CB -1.238 28.186 29.460 -0.060 0.000 1.150 166 W HN 0.159 nan 8.180 nan 0.000 0.496 167 S N -0.586 115.108 115.700 -0.010 0.000 2.593 167 S HA 0.159 4.628 4.470 -0.000 0.000 0.217 167 S C 0.728 175.255 174.600 -0.122 0.000 0.966 167 S CA -0.162 58.002 58.200 -0.060 0.000 0.914 167 S CB -0.618 62.582 63.200 -0.001 0.000 0.776 167 S HN 0.049 nan 8.310 nan 0.000 0.523 168 M N 2.481 121.950 119.600 -0.218 0.000 2.240 168 M HA 0.113 4.593 4.480 -0.000 0.000 0.317 168 M C 0.544 176.746 176.300 -0.163 0.000 1.087 168 M CA 0.206 55.379 55.300 -0.212 0.000 1.176 168 M CB 0.146 32.568 32.600 -0.296 0.000 1.439 168 M HN 0.230 nan 8.290 nan 0.000 0.452 169 D N 1.000 121.332 120.400 -0.113 0.000 2.382 169 D HA 0.011 4.651 4.640 -0.000 0.000 0.245 169 D C 0.827 177.126 176.300 -0.001 0.000 1.120 169 D CA -0.120 53.846 54.000 -0.057 0.000 0.890 169 D CB 1.476 42.253 40.800 -0.039 0.000 1.201 169 D HN 0.469 nan 8.370 nan 0.000 0.433 170 V N 4.729 124.667 119.914 0.040 0.000 2.380 170 V HA -0.278 3.842 4.120 -0.000 0.000 0.251 170 V C 1.433 177.694 176.094 0.277 0.000 1.063 170 V CA 1.871 64.280 62.300 0.182 0.000 1.055 170 V CB -0.430 31.402 31.823 0.016 0.000 0.657 170 V HN 0.537 nan 8.190 nan 0.000 0.455 171 N N 0.178 118.896 118.700 0.029 0.000 2.515 171 N HA -0.018 4.721 4.740 -0.000 0.000 0.191 171 N C 1.393 176.878 175.510 -0.041 0.000 1.182 171 N CA 0.402 53.392 53.050 -0.099 0.000 0.879 171 N CB -0.096 38.237 38.487 -0.258 0.000 0.984 171 N HN 0.588 nan 8.380 nan 0.000 0.453 172 E N -0.732 119.407 120.200 -0.102 0.000 2.481 172 E HA 0.037 4.386 4.350 -0.000 0.000 0.195 172 E C 0.027 176.186 176.600 -0.734 0.000 1.047 172 E CA 0.409 56.563 56.400 -0.411 0.000 0.867 172 E CB 0.053 29.356 29.700 -0.661 0.000 0.858 172 E HN 0.403 nan 8.360 nan 0.000 0.513 173 F N -0.571 119.245 119.950 -0.223 0.000 2.764 173 F HA 0.278 4.805 4.527 -0.000 0.000 0.310 173 F C 1.881 177.557 175.800 -0.206 0.000 1.124 173 F CA -0.352 57.370 58.000 -0.464 0.000 1.252 173 F CB 0.493 38.716 39.000 -1.294 0.000 1.010 173 F HN -0.156 nan 8.300 nan 0.000 0.518 174 R N 0.906 121.478 120.500 0.120 0.000 2.189 174 R HA 0.373 4.712 4.340 -0.000 0.000 0.203 174 R C 1.006 177.396 176.300 0.150 0.000 1.012 174 R CA 0.400 56.595 56.100 0.159 0.000 1.015 174 R CB 0.111 30.216 30.300 -0.326 0.000 0.938 174 R HN 0.160 nan 8.270 nan 0.000 0.472 175 A N 1.297 124.245 122.820 0.212 0.000 2.445 175 A HA 0.110 4.430 4.320 -0.000 0.000 0.242 175 A C 0.487 178.190 177.584 0.198 0.000 1.075 175 A CA -0.228 51.980 52.037 0.284 0.000 0.777 175 A CB 0.516 19.680 19.000 0.273 0.000 1.013 175 A HN 0.356 nan 8.150 nan 0.000 0.493 176 K N 0.391 120.904 120.400 0.187 0.000 2.127 176 K HA -0.241 4.079 4.320 -0.000 0.000 0.208 176 K C 1.115 177.791 176.600 0.127 0.000 1.047 176 K CA 2.210 58.587 56.287 0.151 0.000 0.927 176 K CB -0.192 32.387 32.500 0.131 0.000 0.716 176 K HN 0.946 nan 8.250 nan 0.000 0.450 177 D N 0.029 120.499 120.400 0.116 0.000 2.371 177 D HA -0.121 4.519 4.640 -0.000 0.000 0.221 177 D C 1.286 177.656 176.300 0.117 0.000 0.986 177 D CA 0.869 54.927 54.000 0.098 0.000 0.899 177 D CB 0.207 41.052 40.800 0.076 0.000 0.902 177 D HN -0.023 nan 8.370 nan 0.000 0.530 178 K N -0.566 119.920 120.400 0.143 0.000 2.244 178 K HA 0.307 4.627 4.320 -0.000 0.000 0.200 178 K C 0.346 177.099 176.600 0.255 0.000 1.052 178 K CA -0.008 56.402 56.287 0.205 0.000 0.980 178 K CB 0.917 33.512 32.500 0.159 0.000 0.838 178 K HN 0.259 nan 8.250 nan 0.000 0.481 179 I N 0.675 121.354 120.570 0.181 0.000 2.775 179 I HA 0.200 4.369 4.170 -0.000 0.000 0.295 179 I C -1.648 174.542 176.117 0.121 0.000 1.287 179 I CA -0.676 60.703 61.300 0.133 0.000 1.029 179 I CB 2.148 40.220 38.000 0.120 0.000 1.282 179 I HN -0.104 nan 8.210 nan 0.000 0.426 180 N N 5.592 124.343 118.700 0.085 0.000 2.462 180 N HA 0.325 5.065 4.740 -0.000 0.000 0.242 180 N C 0.734 176.302 175.510 0.096 0.000 1.010 180 N CA 0.485 53.595 53.050 0.099 0.000 0.939 180 N CB 1.839 40.377 38.487 0.085 0.000 1.127 180 N HN 0.836 nan 8.380 nan 0.000 0.509 181 A N 4.184 127.063 122.820 0.099 0.000 1.948 181 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 181 A C 1.612 179.128 177.584 -0.113 0.000 1.177 181 A CA 1.410 53.456 52.037 0.015 0.000 0.636 181 A CB -0.414 18.568 19.000 -0.031 0.000 0.815 181 A HN 0.796 nan 8.150 nan 0.000 0.449 182 H N -2.241 116.885 119.070 0.094 0.000 2.418 182 H HA -0.005 4.551 4.556 -0.000 0.000 0.300 182 H C 1.365 176.730 175.328 0.062 0.000 1.041 182 H CA 1.234 57.320 56.048 0.064 0.000 1.364 182 H CB -0.041 29.757 29.762 0.059 0.000 1.439 182 H HN 0.445 nan 8.280 nan 0.000 0.540 183 D N 0.816 121.320 120.400 0.174 0.000 2.249 183 D HA -0.057 4.583 4.640 -0.000 0.000 0.205 183 D C 0.880 177.229 176.300 0.082 0.000 0.962 183 D CA 0.636 54.716 54.000 0.134 0.000 0.860 183 D CB 0.324 41.195 40.800 0.119 0.000 0.955 183 D HN 0.420 nan 8.370 nan 0.000 0.505 184 E N -0.329 119.899 120.200 0.047 0.000 2.558 184 E HA 0.077 4.427 4.350 -0.000 0.000 0.205 184 E C 0.379 176.959 176.600 -0.033 0.000 1.006 184 E CA -0.170 56.219 56.400 -0.017 0.000 0.961 184 E CB 0.965 30.630 29.700 -0.059 0.000 1.044 184 E HN -0.011 nan 8.360 nan 0.000 0.465 185 T N 0.225 114.783 114.554 0.008 0.000 2.732 185 T HA 0.203 4.553 4.350 -0.000 0.000 0.287 185 T C 0.632 175.316 174.700 -0.025 0.000 0.993 185 T CA -0.524 61.579 62.100 0.005 0.000 0.966 185 T CB 0.393 69.274 68.868 0.022 0.000 1.047 185 T HN 0.023 nan 8.240 nan 0.000 0.527 186 I N 2.385 122.932 120.570 -0.038 0.000 3.015 186 I HA 0.213 4.382 4.170 -0.000 0.000 0.309 186 I C 1.123 177.244 176.117 0.006 0.000 1.229 186 I CA 0.551 61.795 61.300 -0.094 0.000 1.430 186 I CB -0.543 37.377 38.000 -0.134 0.000 1.347 186 I HN 0.758 nan 8.210 nan 0.000 0.544 187 G N 4.068 112.779 108.800 -0.147 0.000 2.815 187 G HA2 0.283 4.242 3.960 -0.000 0.000 0.305 187 G HA3 0.283 4.242 3.960 -0.000 0.000 0.305 187 G C 0.496 175.133 174.900 -0.439 0.000 1.277 187 G CA -0.225 44.721 45.100 -0.257 0.000 0.795 187 G HN 0.598 nan 8.290 nan 0.000 0.528 188 C N 0.637 119.559 119.300 -0.629 0.000 2.401 188 C HA 0.078 4.538 4.460 -0.000 0.000 0.276 188 C C 3.342 178.053 174.990 -0.465 0.000 1.233 188 C CA 1.623 60.190 59.018 -0.751 0.000 1.753 188 C CB -1.385 25.337 27.740 -1.697 0.000 2.029 188 C HN 0.789 nan 8.230 nan 0.000 0.478 189 A N 1.013 123.614 122.820 -0.365 0.000 2.172 189 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 189 A C 1.737 179.210 177.584 -0.184 0.000 1.154 189 A CA 1.527 53.481 52.037 -0.138 0.000 0.701 189 A CB -0.721 18.257 19.000 -0.036 0.000 0.789 189 A HN 0.764 nan 8.150 nan 0.000 0.465 190 N N -1.531 116.993 118.700 -0.293 0.000 2.396 190 N HA -0.049 4.691 4.740 -0.000 0.000 0.180 190 N C 0.879 176.300 175.510 -0.148 0.000 1.028 190 N CA 1.405 54.237 53.050 -0.362 0.000 0.893 190 N CB -0.048 38.152 38.487 -0.478 0.000 0.967 190 N HN 0.510 nan 8.380 nan 0.000 0.440 191 C N -1.401 117.786 119.300 -0.190 0.000 3.757 191 C HA 0.281 4.740 4.460 -0.000 0.000 0.358 191 C C -0.210 174.584 174.990 -0.328 0.000 1.484 191 C CA -0.445 58.430 59.018 -0.239 0.000 1.862 191 C CB -0.571 26.969 27.740 -0.333 0.000 2.654 191 C HN 0.364 nan 8.230 nan 0.000 0.699 192 H N 1.203 120.231 119.070 -0.071 0.000 2.538 192 H HA 0.290 4.845 4.556 -0.000 0.000 0.353 192 H C -1.366 173.970 175.328 0.013 0.000 1.109 192 H CA -0.245 55.782 56.048 -0.035 0.000 1.192 192 H CB 1.521 31.210 29.762 -0.122 0.000 1.555 192 H HN 0.135 nan 8.280 nan 0.000 0.518 193 D N 4.070 124.585 120.400 0.192 0.000 2.346 193 D HA 0.068 4.707 4.640 -0.000 0.000 0.260 193 D C -1.635 174.770 176.300 0.175 0.000 1.252 193 D CA -1.609 52.480 54.000 0.148 0.000 0.895 193 D CB 1.205 42.087 40.800 0.137 0.000 1.097 193 D HN 0.160 nan 8.370 nan 0.000 0.489 194 P HA -0.169 nan 4.420 nan 0.000 0.216 194 P C 0.899 178.287 177.300 0.146 0.000 1.150 194 P CA 1.540 64.793 63.100 0.256 0.000 0.843 194 P CB 0.149 31.968 31.700 0.198 0.000 0.787 195 A N -0.608 122.271 122.820 0.097 0.000 1.873 195 A HA -0.156 4.164 4.320 -0.000 0.000 0.215 195 A C 2.200 179.841 177.584 0.096 0.000 1.186 195 A CA 2.636 54.717 52.037 0.073 0.000 0.616 195 A CB -1.722 17.309 19.000 0.051 0.000 0.823 195 A HN 0.354 nan 8.150 nan 0.000 0.442 196 T N -6.391 108.226 114.554 0.104 0.000 3.015 196 T HA 0.252 4.602 4.350 -0.000 0.000 0.250 196 T C 0.878 175.644 174.700 0.109 0.000 1.057 196 T CA 0.806 62.969 62.100 0.106 0.000 1.066 196 T CB 0.351 69.278 68.868 0.099 0.000 0.959 196 T HN 0.316 nan 8.240 nan 0.000 0.488 197 M N -0.322 119.339 119.600 0.102 0.000 2.961 197 M HA -0.116 4.364 4.480 -0.000 0.000 0.198 197 M C -0.374 176.047 176.300 0.201 0.000 0.610 197 M CA 0.502 55.821 55.300 0.031 0.000 0.755 197 M CB -2.211 30.277 32.600 -0.186 0.000 2.707 197 M HN 0.419 nan 8.290 nan 0.000 0.299 198 E N 1.146 121.458 120.200 0.188 0.000 2.436 198 E HA 0.231 4.581 4.350 -0.000 0.000 0.262 198 E C 0.439 177.198 176.600 0.264 0.000 1.063 198 E CA -0.226 56.298 56.400 0.206 0.000 0.944 198 E CB 0.657 30.460 29.700 0.171 0.000 0.950 198 E HN 0.473 nan 8.360 nan 0.000 0.444 199 L N 2.368 123.737 121.223 0.244 0.000 2.490 199 L HA 0.104 4.444 4.340 -0.000 0.000 0.274 199 L C 0.955 178.074 176.870 0.415 0.000 1.201 199 L CA 0.658 55.641 54.840 0.239 0.000 0.869 199 L CB 0.147 42.364 42.059 0.262 0.000 1.123 199 L HN 0.286 nan 8.230 nan 0.000 0.484 200 R N 3.668 124.285 120.500 0.195 0.000 2.626 200 R HA 0.498 4.838 4.340 -0.000 0.000 0.274 200 R C -1.601 174.528 176.300 -0.284 0.000 1.031 200 R CA -0.801 55.286 56.100 -0.022 0.000 0.898 200 R CB 1.583 31.892 30.300 0.016 0.000 1.222 200 R HN 0.541 nan 8.270 nan 0.000 0.455 201 L N 5.387 126.207 121.223 -0.672 0.000 2.305 201 L HA 0.290 4.630 4.340 -0.000 0.000 0.281 201 L C 0.563 177.277 176.870 -0.261 0.000 1.085 201 L CA -0.413 54.122 54.840 -0.509 0.000 0.813 201 L CB 0.974 42.587 42.059 -0.742 0.000 1.157 201 L HN 0.819 nan 8.230 nan 0.000 0.436 202 Y N 0.679 120.843 120.300 -0.227 0.000 2.458 202 Y HA 0.219 4.769 4.550 -0.000 0.000 0.254 202 Y C 1.222 177.041 175.900 -0.135 0.000 1.120 202 Y CA -0.523 57.477 58.100 -0.168 0.000 1.282 202 Y CB 0.311 38.682 38.460 -0.148 0.000 1.109 202 Y HN 0.505 nan 8.280 nan 0.000 0.526 203 S N 1.897 116.923 115.700 -1.123 0.000 2.488 203 S HA 0.049 4.518 4.470 -0.000 0.000 0.278 203 S C 1.025 175.334 174.600 -0.485 0.000 1.259 203 S CA -0.447 57.138 58.200 -1.026 0.000 1.061 203 S CB 0.482 63.248 63.200 -0.722 0.000 0.910 203 S HN 0.480 nan 8.310 nan 0.000 0.491 204 E N 5.446 125.440 120.200 -0.343 0.000 2.046 204 E HA -0.033 4.316 4.350 -0.000 0.000 0.190 204 E C -0.786 175.618 176.600 -0.327 0.000 0.982 204 E CA 1.124 57.400 56.400 -0.207 0.000 0.800 204 E CB -1.425 28.281 29.700 0.010 0.000 0.756 204 E HN 0.580 nan 8.360 nan 0.000 0.449 205 P HA -0.129 nan 4.420 nan 0.000 0.216 205 P C 1.785 178.566 177.300 -0.865 0.000 1.153 205 P CA 0.832 63.398 63.100 -0.890 0.000 0.848 205 P CB -0.058 30.775 31.700 -1.445 0.000 0.787 206 L N 0.007 120.901 121.223 -0.549 0.000 2.056 206 L HA -0.076 4.264 4.340 -0.000 0.000 0.207 206 L C 2.161 179.024 176.870 -0.011 0.000 1.078 206 L CA 1.962 56.754 54.840 -0.079 0.000 0.749 206 L CB -1.115 41.005 42.059 0.100 0.000 0.901 206 L HN -0.196 nan 8.230 nan 0.000 0.433 207 K N -0.596 119.723 120.400 -0.135 0.000 2.097 207 K HA -0.158 4.162 4.320 -0.000 0.000 0.206 207 K C 1.742 178.302 176.600 -0.067 0.000 1.049 207 K CA 1.372 57.602 56.287 -0.095 0.000 0.933 207 K CB -0.250 32.163 32.500 -0.144 0.000 0.717 207 K HN 0.355 nan 8.250 nan 0.000 0.442 208 D N 0.427 120.757 120.400 -0.118 0.000 2.092 208 D HA -0.237 4.402 4.640 -0.000 0.000 0.193 208 D C 1.440 177.737 176.300 -0.005 0.000 0.994 208 D CA 0.860 54.804 54.000 -0.092 0.000 0.828 208 D CB -0.404 40.293 40.800 -0.172 0.000 0.963 208 D HN 0.384 nan 8.370 nan 0.000 0.450 209 W N 1.655 122.870 121.300 -0.142 0.000 2.335 209 W HA -0.195 4.465 4.660 -0.001 0.000 0.311 209 W C 1.867 178.445 176.519 0.099 0.000 1.213 209 W CA 0.841 58.187 57.345 0.001 0.000 1.274 209 W CB -0.460 29.050 29.460 0.083 0.000 1.148 209 W HN -0.014 nan 8.180 nan 0.000 0.498 210 L N 0.853 122.035 121.223 -0.069 0.000 2.042 210 L HA -0.265 4.074 4.340 -0.000 0.000 0.210 210 L C 2.728 179.485 176.870 -0.188 0.000 1.076 210 L CA 1.898 56.644 54.840 -0.156 0.000 0.749 210 L CB -0.980 41.121 42.059 0.071 0.000 0.893 210 L HN -0.018 nan 8.230 nan 0.000 0.432 211 K N 0.276 120.606 120.400 -0.117 0.000 2.002 211 K HA -0.172 4.148 4.320 -0.000 0.000 0.209 211 K C 2.336 178.853 176.600 -0.139 0.000 1.048 211 K CA 1.180 57.410 56.287 -0.095 0.000 0.930 211 K CB 0.013 32.479 32.500 -0.057 0.000 0.714 211 K HN 0.166 nan 8.250 nan 0.000 0.438 212 R N 0.316 120.714 120.500 -0.169 0.000 2.091 212 R HA -0.101 4.238 4.340 -0.000 0.000 0.238 212 R C 2.276 178.404 176.300 -0.287 0.000 1.136 212 R CA 1.886 57.883 56.100 -0.172 0.000 0.959 212 R CB -0.350 29.887 30.300 -0.105 0.000 0.856 212 R HN 0.350 nan 8.270 nan 0.000 0.437 213 S N -1.001 114.368 115.700 -0.552 0.000 2.593 213 S HA 0.143 4.613 4.470 -0.000 0.000 0.217 213 S C 1.210 175.641 174.600 -0.280 0.000 0.966 213 S CA 0.308 58.172 58.200 -0.560 0.000 0.914 213 S CB 0.778 63.323 63.200 -1.092 0.000 0.776 213 S HN 0.525 nan 8.310 nan 0.000 0.523 214 G N 0.929 109.608 108.800 -0.202 0.000 2.160 214 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.251 214 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.251 214 G C -0.085 174.775 174.900 -0.068 0.000 1.008 214 G CA 0.332 45.370 45.100 -0.103 0.000 0.724 214 G HN 0.586 nan 8.290 nan 0.000 0.514 215 K N -0.259 120.092 120.400 -0.082 0.000 2.090 215 K HA 0.592 4.911 4.320 -0.000 0.000 0.249 215 K C -0.750 175.874 176.600 0.040 0.000 0.995 215 K CA -0.604 55.681 56.287 -0.003 0.000 0.914 215 K CB 0.943 33.461 32.500 0.030 0.000 1.057 215 K HN 0.112 nan 8.250 nan 0.000 0.462 216 D N 0.586 121.036 120.400 0.084 0.000 2.616 216 D HA 0.022 4.662 4.640 -0.000 0.000 0.238 216 D C 0.152 176.555 176.300 0.172 0.000 1.354 216 D CA -0.568 53.501 54.000 0.116 0.000 0.970 216 D CB 0.468 41.308 40.800 0.068 0.000 1.369 216 D HN 0.658 nan 8.370 nan 0.000 0.585 217 W N 3.294 124.606 121.300 0.021 0.000 2.290 217 W HA -0.305 4.354 4.660 -0.000 0.000 0.323 217 W C 0.990 177.525 176.519 0.027 0.000 1.260 217 W CA 1.566 58.928 57.345 0.028 0.000 1.266 217 W CB 0.197 29.672 29.460 0.023 0.000 1.149 217 W HN 0.540 nan 8.180 nan 0.000 0.482 218 Q N -0.014 119.862 119.800 0.126 0.000 2.234 218 Q HA -0.172 4.168 4.340 -0.000 0.000 0.206 218 Q C 1.836 177.803 176.000 -0.054 0.000 0.980 218 Q CA 1.705 57.515 55.803 0.012 0.000 0.869 218 Q CB -0.331 28.451 28.738 0.074 0.000 0.912 218 Q HN 0.248 nan 8.270 nan 0.000 0.436 219 K N -0.947 119.433 120.400 -0.034 0.000 2.387 219 K HA 0.210 4.529 4.320 -0.000 0.000 0.198 219 K C -0.079 176.478 176.600 -0.072 0.000 1.022 219 K CA -0.144 56.120 56.287 -0.039 0.000 1.128 219 K CB 0.371 32.868 32.500 -0.005 0.000 0.853 219 K HN 0.187 nan 8.250 nan 0.000 0.523 220 M N 1.335 120.847 119.600 -0.147 0.000 2.274 220 M HA 0.059 4.539 4.480 -0.000 0.000 0.344 220 M C 0.360 176.537 176.300 -0.204 0.000 1.161 220 M CA -0.313 54.883 55.300 -0.174 0.000 1.126 220 M CB 1.443 33.895 32.600 -0.247 0.000 1.522 220 M HN -0.002 nan 8.290 nan 0.000 0.461 221 S N 2.091 117.714 115.700 -0.129 0.000 2.585 221 S HA 0.174 4.644 4.470 -0.000 0.000 0.273 221 S C 0.943 175.461 174.600 -0.137 0.000 1.339 221 S CA -0.518 57.621 58.200 -0.102 0.000 1.028 221 S CB 0.946 64.119 63.200 -0.044 0.000 0.906 221 S HN 0.887 nan 8.310 nan 0.000 0.528 222 R N 1.689 122.130 120.500 -0.097 0.000 2.103 222 R HA -0.220 4.120 4.340 -0.000 0.000 0.242 222 R C 2.120 178.397 176.300 -0.037 0.000 1.142 222 R CA 2.095 58.151 56.100 -0.073 0.000 0.960 222 R CB -0.730 29.559 30.300 -0.019 0.000 0.858 222 R HN 0.860 nan 8.270 nan 0.000 0.439 223 N N 0.514 119.209 118.700 -0.009 0.000 2.036 223 N HA -0.257 4.482 4.740 -0.000 0.000 0.195 223 N C 1.627 177.154 175.510 0.028 0.000 1.037 223 N CA 2.145 55.210 53.050 0.024 0.000 0.855 223 N CB -0.176 38.332 38.487 0.034 0.000 1.033 223 N HN 0.386 nan 8.380 nan 0.000 0.423 224 E N -0.023 120.182 120.200 0.008 0.000 2.110 224 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 224 E C 1.615 178.232 176.600 0.030 0.000 0.988 224 E CA 1.115 57.539 56.400 0.040 0.000 0.804 224 E CB 0.035 29.756 29.700 0.034 0.000 0.745 224 E HN 0.365 nan 8.360 nan 0.000 0.458 225 K N 0.006 120.357 120.400 -0.081 0.000 2.147 225 K HA -0.097 4.222 4.320 -0.000 0.000 0.205 225 K C 2.119 178.765 176.600 0.076 0.000 1.049 225 K CA 1.061 57.308 56.287 -0.067 0.000 0.936 225 K CB -0.050 32.253 32.500 -0.328 0.000 0.722 225 K HN 0.031 nan 8.250 nan 0.000 0.446 226 R N -0.057 120.465 120.500 0.036 0.000 2.328 226 R HA -0.037 4.303 4.340 -0.000 0.000 0.207 226 R C 1.477 177.793 176.300 0.026 0.000 1.056 226 R CA 0.924 57.043 56.100 0.032 0.000 1.016 226 R CB 0.067 30.381 30.300 0.024 0.000 0.872 226 R HN 0.124 nan 8.270 nan 0.000 0.471 227 T N -0.144 114.448 114.554 0.063 0.000 3.071 227 T HA 0.162 4.511 4.350 -0.000 0.000 0.239 227 T C 1.592 176.318 174.700 0.042 0.000 0.997 227 T CA -0.044 62.087 62.100 0.052 0.000 1.134 227 T CB 0.221 69.200 68.868 0.186 0.000 0.928 227 T HN 0.041 nan 8.240 nan 0.000 0.453 228 L N 2.294 123.581 121.223 0.107 0.000 2.081 228 L HA -0.134 4.205 4.340 -0.000 0.000 0.212 228 L C 2.723 179.659 176.870 0.110 0.000 1.080 228 L CA 1.287 56.200 54.840 0.122 0.000 0.754 228 L CB -0.913 41.358 42.059 0.354 0.000 0.893 228 L HN 0.259 nan 8.230 nan 0.000 0.433 229 V N -3.869 116.128 119.914 0.139 0.000 2.469 229 V HA -0.262 3.858 4.120 -0.000 0.000 0.251 229 V C 2.283 178.402 176.094 0.041 0.000 1.064 229 V CA 1.793 64.137 62.300 0.073 0.000 1.066 229 V CB -1.331 30.517 31.823 0.042 0.000 0.667 229 V HN 0.510 nan 8.190 nan 0.000 0.461 230 C N 1.176 120.486 119.300 0.017 0.000 2.492 230 C HA 0.419 4.879 4.460 -0.000 0.000 0.279 230 C C 3.154 178.186 174.990 0.069 0.000 1.335 230 C CA 0.289 59.330 59.018 0.038 0.000 1.734 230 C CB -1.394 26.292 27.740 -0.091 0.000 2.027 230 C HN 0.648 nan 8.230 nan 0.000 0.496 231 A N 0.567 123.370 122.820 -0.027 0.000 2.259 231 A HA -0.174 4.146 4.320 -0.000 0.000 0.212 231 A C 2.079 179.679 177.584 0.026 0.000 1.178 231 A CA 1.047 53.028 52.037 -0.092 0.000 0.734 231 A CB -0.586 18.089 19.000 -0.542 0.000 0.774 231 A HN 0.785 nan 8.150 nan 0.000 0.481 232 Q N -1.749 118.093 119.800 0.070 0.000 2.230 232 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 232 Q C 1.476 177.554 176.000 0.129 0.000 0.963 232 Q CA 1.491 57.364 55.803 0.116 0.000 0.866 232 Q CB -0.093 28.687 28.738 0.070 0.000 0.931 232 Q HN 0.799 nan 8.270 nan 0.000 0.452 233 C N -2.114 117.214 119.300 0.047 0.000 3.484 233 C HA 0.130 4.589 4.460 -0.000 0.000 0.543 233 C C 0.897 175.768 174.990 -0.198 0.000 1.395 233 C CA -0.471 58.508 59.018 -0.066 0.000 2.412 233 C CB 0.019 27.682 27.740 -0.127 0.000 3.532 233 C HN 0.415 nan 8.230 nan 0.000 0.584 234 H N 2.107 121.149 119.070 -0.048 0.000 2.768 234 H HA 0.411 4.966 4.556 -0.000 0.000 0.219 234 H C -0.031 175.348 175.328 0.085 0.000 1.898 234 H CA 0.755 56.795 56.048 -0.013 0.000 1.313 234 H CB -0.168 29.577 29.762 -0.030 0.000 1.701 234 H HN 0.443 nan 8.280 nan 0.000 0.534 235 V N -1.100 118.921 119.914 0.178 0.000 3.206 235 V HA 0.415 4.534 4.120 -0.000 0.000 0.305 235 V C -0.328 175.861 176.094 0.159 0.000 1.257 235 V CA -1.376 61.005 62.300 0.134 0.000 1.057 235 V CB 2.704 34.455 31.823 -0.119 0.000 1.075 235 V HN 0.243 nan 8.190 nan 0.000 0.443 236 E N 1.387 121.643 120.200 0.092 0.000 2.313 236 E HA 0.662 5.012 4.350 -0.000 0.000 0.272 236 E C -0.896 175.717 176.600 0.023 0.000 1.038 236 E CA 0.011 56.410 56.400 -0.001 0.000 0.863 236 E CB 1.193 30.893 29.700 0.000 0.000 1.060 236 E HN 1.087 nan 8.360 nan 0.000 0.402 237 Y N 1.039 121.322 120.300 -0.028 0.000 2.744 237 Y HA 0.682 5.232 4.550 -0.000 0.000 0.330 237 Y C -1.597 174.350 175.900 0.078 0.000 1.263 237 Y CA -1.430 56.698 58.100 0.047 0.000 1.065 237 Y CB 0.847 39.384 38.460 0.129 0.000 1.306 237 Y HN 0.614 nan 8.280 nan 0.000 0.459 238 Y N -1.121 119.230 120.300 0.086 0.000 2.670 238 Y HA 0.793 5.342 4.550 -0.000 0.000 0.334 238 Y C -2.433 173.617 175.900 0.250 0.000 1.185 238 Y CA -2.467 55.578 58.100 -0.093 0.000 1.053 238 Y CB 1.178 39.433 38.460 -0.342 0.000 1.298 238 Y HN 0.499 nan 8.280 nan 0.000 0.459 239 F N 1.303 121.476 119.950 0.372 0.000 2.404 239 F HA 0.442 4.969 4.527 -0.000 0.000 0.354 239 F C 0.458 176.472 175.800 0.356 0.000 1.122 239 F CA -1.398 56.749 58.000 0.244 0.000 1.080 239 F CB 1.498 40.691 39.000 0.321 0.000 1.131 239 F HN 0.557 nan 8.300 nan 0.000 0.471 240 T N 3.816 118.535 114.554 0.274 0.000 2.905 240 T HA -0.103 4.247 4.350 -0.000 0.000 0.299 240 T C 0.206 175.172 174.700 0.442 0.000 1.024 240 T CA 0.400 62.701 62.100 0.334 0.000 1.151 240 T CB -0.323 68.605 68.868 0.100 0.000 0.987 240 T HN 0.383 nan 8.240 nan 0.000 0.535 241 H N 3.773 123.122 119.070 0.465 0.000 2.652 241 H HA 0.097 4.652 4.556 -0.000 0.000 0.349 241 H C 1.483 176.940 175.328 0.215 0.000 1.099 241 H CA -0.239 56.002 56.048 0.322 0.000 1.417 241 H CB 0.883 30.819 29.762 0.291 0.000 1.457 241 H HN 0.739 nan 8.280 nan 0.000 0.568 242 K N 3.080 123.429 120.400 -0.084 0.000 2.218 242 K HA -0.169 4.151 4.320 -0.000 0.000 0.205 242 K C 0.463 177.180 176.600 0.194 0.000 1.046 242 K CA 1.747 58.065 56.287 0.051 0.000 0.933 242 K CB 0.140 32.617 32.500 -0.038 0.000 0.728 242 K HN 0.428 nan 8.250 nan 0.000 0.454 243 D N 1.195 121.842 120.400 0.411 0.000 2.264 243 D HA -0.085 4.554 4.640 -0.000 0.000 0.208 243 D C 0.957 177.376 176.300 0.200 0.000 0.966 243 D CA 0.808 54.974 54.000 0.278 0.000 0.864 243 D CB -0.035 40.910 40.800 0.242 0.000 0.933 243 D HN 0.381 nan 8.370 nan 0.000 0.499 244 N N -0.493 118.350 118.700 0.239 0.000 2.184 244 N HA 0.240 4.980 4.740 -0.000 0.000 0.206 244 N C 0.886 176.494 175.510 0.164 0.000 1.151 244 N CA 0.305 53.470 53.050 0.192 0.000 0.878 244 N CB 2.256 40.888 38.487 0.242 0.000 1.014 244 N HN 0.139 nan 8.380 nan 0.000 0.512 245 G N 0.637 109.528 108.800 0.153 0.000 2.317 245 G HA2 0.203 4.163 3.960 -0.000 0.000 0.293 245 G HA3 0.203 4.163 3.960 -0.000 0.000 0.293 245 G C -3.203 171.761 174.900 0.107 0.000 1.287 245 G CA -0.776 44.392 45.100 0.113 0.000 0.850 245 G HN -0.234 nan 8.290 nan 0.000 0.515 246 P HA 0.414 nan 4.420 nan 0.000 0.262 246 P C 0.408 177.772 177.300 0.107 0.000 1.199 246 P CA 0.552 63.728 63.100 0.126 0.000 0.763 246 P CB 0.724 32.535 31.700 0.185 0.000 0.790 247 A N 4.627 127.511 122.820 0.106 0.000 2.591 247 A HA 0.273 4.592 4.320 -0.000 0.000 0.244 247 A C 1.509 179.139 177.584 0.076 0.000 1.031 247 A CA 0.690 52.774 52.037 0.078 0.000 0.767 247 A CB -1.279 17.749 19.000 0.047 0.000 0.942 247 A HN 0.860 nan 8.150 nan 0.000 0.514 248 A N 1.454 124.304 122.820 0.050 0.000 3.413 248 A HA -0.216 4.104 4.320 -0.000 0.000 0.268 248 A C 0.810 178.258 177.584 -0.227 0.000 1.128 248 A CA 1.767 53.771 52.037 -0.055 0.000 1.062 248 A CB -2.249 16.654 19.000 -0.162 0.000 1.121 248 A HN 1.258 nan 8.150 nan 0.000 0.895 249 K N 0.931 121.131 120.400 -0.333 0.000 2.489 249 K HA 0.255 4.575 4.320 -0.000 0.000 0.278 249 K C -2.264 173.966 176.600 -0.617 0.000 1.000 249 K CA -0.799 54.919 56.287 -0.948 0.000 1.012 249 K CB 0.482 32.504 32.500 -0.798 0.000 0.903 249 K HN 0.327 nan 8.250 nan 0.000 0.485 250 P HA 0.070 nan 4.420 nan 0.000 0.276 250 P C -1.071 175.911 177.300 -0.530 0.000 1.230 250 P CA -0.309 62.572 63.100 -0.366 0.000 0.776 250 P CB 1.119 32.624 31.700 -0.325 0.000 0.888 251 V N 4.213 123.806 119.914 -0.535 0.000 2.789 251 V HA 0.397 4.517 4.120 -0.000 0.000 0.311 251 V C -0.164 175.728 176.094 -0.337 0.000 1.073 251 V CA -0.612 61.308 62.300 -0.634 0.000 0.921 251 V CB 2.010 33.343 31.823 -0.817 0.000 1.009 251 V HN 0.399 nan 8.190 nan 0.000 0.426 252 F N 4.821 124.405 119.950 -0.611 0.000 2.371 252 F HA 0.368 4.894 4.527 -0.001 0.000 0.363 252 F C -1.830 173.388 175.800 -0.971 0.000 1.122 252 F CA -2.201 55.223 58.000 -0.960 0.000 1.129 252 F CB 2.070 40.013 39.000 -1.761 0.000 1.173 252 F HN 0.308 nan 8.300 nan 0.000 0.489 253 P HA -0.004 nan 4.420 nan 0.000 0.230 253 P C -0.241 176.632 177.300 -0.713 0.000 1.791 253 P CA 0.033 62.515 63.100 -1.031 0.000 1.020 253 P CB -0.207 30.767 31.700 -1.210 0.000 1.977 254 W N 0.244 121.175 121.300 -0.616 0.000 3.127 254 W HA 0.134 4.793 4.660 -0.000 0.000 0.344 254 W C 0.735 177.023 176.519 -0.385 0.000 1.151 254 W CA -0.253 56.706 57.345 -0.643 0.000 1.765 254 W CB -0.722 28.069 29.460 -1.116 0.000 1.085 254 W HN 0.189 nan 8.180 nan 0.000 0.596 255 D N 0.371 120.870 120.400 0.165 0.000 2.221 255 D HA -0.190 4.450 4.640 -0.000 0.000 0.204 255 D C 1.228 177.656 176.300 0.213 0.000 0.982 255 D CA 1.253 55.470 54.000 0.362 0.000 0.857 255 D CB -0.195 40.868 40.800 0.438 0.000 0.934 255 D HN 0.055 nan 8.370 nan 0.000 0.475 256 N N -0.498 118.290 118.700 0.146 0.000 2.280 256 N HA 0.329 5.069 4.740 -0.000 0.000 0.192 256 N C 0.239 175.726 175.510 -0.039 0.000 1.109 256 N CA 0.483 53.580 53.050 0.077 0.000 0.855 256 N CB 1.322 39.879 38.487 0.116 0.000 0.974 256 N HN 0.194 nan 8.380 nan 0.000 0.482 257 G N -0.559 108.133 108.800 -0.180 0.000 2.423 257 G HA2 -0.142 3.817 3.960 -0.000 0.000 0.684 257 G HA3 -0.142 3.817 3.960 -0.000 0.000 0.684 257 G C -0.403 174.219 174.900 -0.463 0.000 1.309 257 G CA -0.883 43.997 45.100 -0.366 0.000 0.950 257 G HN 0.105 nan 8.290 nan 0.000 0.587 258 F N 0.715 120.572 119.950 -0.156 0.000 2.749 258 F HA 0.257 4.783 4.527 -0.000 0.000 0.300 258 F C 1.446 177.190 175.800 -0.094 0.000 1.103 258 F CA -0.346 57.515 58.000 -0.232 0.000 1.342 258 F CB 0.202 38.961 39.000 -0.401 0.000 1.098 258 F HN 0.239 nan 8.300 nan 0.000 0.586 259 N N 1.701 120.410 118.700 0.016 0.000 2.483 259 N HA 0.120 4.859 4.740 -0.000 0.000 0.269 259 N C -1.734 173.593 175.510 -0.305 0.000 1.209 259 N CA -1.812 51.156 53.050 -0.137 0.000 0.969 259 N CB 0.212 38.618 38.487 -0.135 0.000 1.173 259 N HN -0.195 nan 8.380 nan 0.000 0.475 260 P HA -0.173 nan 4.420 nan 0.000 0.216 260 P C 1.135 178.164 177.300 -0.451 0.000 1.153 260 P CA 1.438 63.934 63.100 -1.007 0.000 0.858 260 P CB 0.393 30.909 31.700 -1.974 0.000 0.789 261 E N 0.022 120.094 120.200 -0.214 0.000 2.072 261 E HA -0.192 4.158 4.350 -0.000 0.000 0.191 261 E C 1.562 178.261 176.600 0.165 0.000 0.985 261 E CA 1.542 58.066 56.400 0.207 0.000 0.801 261 E CB -0.935 28.894 29.700 0.216 0.000 0.750 261 E HN 0.134 nan 8.360 nan 0.000 0.452 262 D N -0.028 120.396 120.400 0.039 0.000 2.104 262 D HA -0.186 4.454 4.640 -0.000 0.000 0.194 262 D C 2.009 178.347 176.300 0.062 0.000 0.994 262 D CA 1.434 55.457 54.000 0.038 0.000 0.830 262 D CB -0.291 40.493 40.800 -0.026 0.000 0.959 262 D HN 0.366 nan 8.370 nan 0.000 0.452 263 M N -0.569 119.058 119.600 0.045 0.000 2.175 263 M HA -0.146 4.333 4.480 -0.000 0.000 0.264 263 M C 2.250 178.654 176.300 0.173 0.000 1.063 263 M CA 0.921 56.239 55.300 0.030 0.000 1.119 263 M CB -0.332 32.322 32.600 0.090 0.000 1.377 263 M HN 0.028 nan 8.290 nan 0.000 0.415 264 Y N 1.666 122.052 120.300 0.144 0.000 2.165 264 Y HA -0.271 4.279 4.550 -0.000 0.000 0.286 264 Y C 2.464 178.461 175.900 0.162 0.000 1.155 264 Y CA 1.704 59.926 58.100 0.203 0.000 1.164 264 Y CB -0.285 38.316 38.460 0.234 0.000 0.978 264 Y HN 0.202 nan 8.280 nan 0.000 0.513 265 Q N -0.861 118.934 119.800 -0.009 0.000 2.079 265 Q HA -0.238 4.102 4.340 -0.000 0.000 0.200 265 Q C 2.192 178.144 176.000 -0.080 0.000 0.974 265 Q CA 1.893 57.628 55.803 -0.113 0.000 0.840 265 Q CB -1.090 27.662 28.738 0.023 0.000 0.898 265 Q HN 0.747 nan 8.270 nan 0.000 0.430 266 Y N 0.310 120.522 120.300 -0.146 0.000 2.128 266 Y HA -0.285 4.265 4.550 -0.000 0.000 0.284 266 Y C 1.369 177.173 175.900 -0.159 0.000 1.154 266 Y CA 1.538 59.528 58.100 -0.183 0.000 1.149 266 Y CB -0.255 37.988 38.460 -0.361 0.000 0.976 266 Y HN 0.039 nan 8.280 nan 0.000 0.505 267 Y N 0.886 121.239 120.300 0.089 0.000 2.553 267 Y HA 0.018 4.568 4.550 -0.000 0.000 0.303 267 Y C 1.752 177.586 175.900 -0.109 0.000 1.194 267 Y CA 0.350 58.449 58.100 -0.002 0.000 1.305 267 Y CB -0.516 37.955 38.460 0.019 0.000 1.045 267 Y HN 0.152 nan 8.280 nan 0.000 0.514 268 K N -0.618 119.733 120.400 -0.083 0.000 2.432 268 K HA 0.095 4.415 4.320 -0.000 0.000 0.196 268 K C 1.289 177.819 176.600 -0.117 0.000 1.038 268 K CA 0.550 56.754 56.287 -0.139 0.000 0.986 268 K CB 0.150 32.531 32.500 -0.198 0.000 0.782 268 K HN 0.319 nan 8.250 nan 0.000 0.485 269 G N -1.729 106.988 108.800 -0.139 0.000 3.175 269 G HA2 0.217 4.176 3.960 -0.000 0.000 0.255 269 G HA3 0.217 4.176 3.960 -0.000 0.000 0.255 269 G C -0.587 174.243 174.900 -0.116 0.000 1.352 269 G CA -0.507 44.441 45.100 -0.254 0.000 1.037 269 G HN 0.365 nan 8.290 nan 0.000 0.556 270 H N -2.341 116.683 119.070 -0.077 0.000 3.395 270 H HA -0.186 4.369 4.556 -0.000 0.000 0.222 270 H C 1.206 176.693 175.328 0.265 0.000 1.099 270 H CA 1.068 57.151 56.048 0.058 0.000 1.182 270 H CB -1.627 28.101 29.762 -0.057 0.000 1.188 270 H HN 0.880 nan 8.280 nan 0.000 0.317 271 G N -0.050 108.867 108.800 0.194 0.000 2.531 271 G HA2 0.622 4.581 3.960 -0.000 0.000 0.281 271 G HA3 0.622 4.581 3.960 -0.000 0.000 0.281 271 G C 0.150 174.927 174.900 -0.205 0.000 1.382 271 G CA -0.028 45.098 45.100 0.044 0.000 1.045 271 G HN 0.474 nan 8.290 nan 0.000 0.533 272 A N -0.622 121.907 122.820 -0.485 0.000 2.483 272 A HA 0.393 4.713 4.320 -0.000 0.000 0.238 272 A C 0.564 178.004 177.584 -0.241 0.000 1.070 272 A CA 0.196 51.866 52.037 -0.611 0.000 0.770 272 A CB 0.062 18.750 19.000 -0.520 0.000 1.008 272 A HN 0.534 nan 8.150 nan 0.000 0.497 273 K N 0.904 121.215 120.400 -0.148 0.000 2.202 273 K HA 0.422 4.742 4.320 -0.000 0.000 0.264 273 K C 0.772 177.340 176.600 -0.054 0.000 1.010 273 K CA 0.342 56.587 56.287 -0.070 0.000 0.940 273 K CB 1.036 33.524 32.500 -0.021 0.000 0.983 273 K HN 0.818 nan 8.250 nan 0.000 0.475 274 G N 1.479 110.252 108.800 -0.045 0.000 2.535 274 G HA2 0.181 4.141 3.960 -0.000 0.000 0.303 274 G HA3 0.181 4.141 3.960 -0.000 0.000 0.303 274 G C -1.784 173.105 174.900 -0.018 0.000 1.237 274 G CA -1.302 43.778 45.100 -0.033 0.000 0.986 274 G HN 0.348 nan 8.290 nan 0.000 0.494 275 P HA -0.119 nan 4.420 nan 0.000 0.217 275 P C 1.134 178.430 177.300 -0.006 0.000 1.148 275 P CA 1.613 64.710 63.100 -0.006 0.000 0.834 275 P CB 0.154 31.850 31.700 -0.006 0.000 0.783 276 D N -2.136 118.257 120.400 -0.012 0.000 2.336 276 D HA 0.075 4.715 4.640 -0.000 0.000 0.229 276 D C 1.385 177.677 176.300 -0.012 0.000 1.061 276 D CA 0.608 54.601 54.000 -0.012 0.000 0.875 276 D CB -0.934 39.856 40.800 -0.016 0.000 0.904 276 D HN 0.251 nan 8.370 nan 0.000 0.525 277 G N 0.467 109.260 108.800 -0.012 0.000 2.176 277 G HA2 -0.329 3.630 3.960 -0.000 0.000 0.253 277 G HA3 -0.329 3.630 3.960 -0.000 0.000 0.253 277 G C 0.203 175.089 174.900 -0.022 0.000 0.979 277 G CA 0.230 45.325 45.100 -0.009 0.000 0.641 277 G HN 0.605 nan 8.290 nan 0.000 0.530 278 K N 1.461 121.840 120.400 -0.034 0.000 2.258 278 K HA 0.480 4.800 4.320 -0.000 0.000 0.284 278 K C -2.397 174.163 176.600 -0.067 0.000 1.051 278 K CA -1.968 54.287 56.287 -0.053 0.000 0.923 278 K CB 0.977 33.444 32.500 -0.055 0.000 1.046 278 K HN 0.010 nan 8.250 nan 0.000 0.474 279 P HA 0.039 nan 4.420 nan 0.000 0.267 279 P C -0.287 176.948 177.300 -0.109 0.000 1.205 279 P CA -0.151 62.890 63.100 -0.097 0.000 0.765 279 P CB 1.169 32.799 31.700 -0.116 0.000 0.828 280 G N 4.283 113.020 108.800 -0.105 0.000 2.510 280 G HA2 0.434 4.393 3.960 -0.000 0.000 0.280 280 G HA3 0.434 4.393 3.960 -0.000 0.000 0.280 280 G C -2.591 172.262 174.900 -0.079 0.000 1.386 280 G CA -1.487 43.555 45.100 -0.097 0.000 1.047 280 G HN 0.283 nan 8.290 nan 0.000 0.527 281 P HA 0.186 nan 4.420 nan 0.000 0.271 281 P C -0.623 176.681 177.300 0.007 0.000 1.216 281 P CA -0.386 62.695 63.100 -0.031 0.000 0.776 281 P CB 0.566 32.229 31.700 -0.061 0.000 0.881 282 F N 3.794 123.715 119.950 -0.049 0.000 2.506 282 F HA 0.308 4.835 4.527 -0.001 0.000 0.351 282 F C -0.005 175.710 175.800 -0.143 0.000 1.136 282 F CA 0.418 58.380 58.000 -0.064 0.000 1.298 282 F CB 0.615 39.600 39.000 -0.025 0.000 1.145 282 F HN 0.089 nan 8.300 nan 0.000 0.593 283 V N 6.358 125.847 119.914 -0.708 0.000 2.686 283 V HA 0.280 4.400 4.120 -0.000 0.000 0.306 283 V C -0.176 175.608 176.094 -0.517 0.000 1.065 283 V CA -0.513 61.513 62.300 -0.458 0.000 0.894 283 V CB 1.777 33.413 31.823 -0.311 0.000 1.004 283 V HN 0.915 nan 8.190 nan 0.000 0.424 284 D N 4.378 124.649 120.400 -0.215 0.000 2.162 284 D HA 0.126 4.765 4.640 -0.000 0.000 0.205 284 D C -0.010 176.427 176.300 0.228 0.000 0.964 284 D CA 1.886 55.909 54.000 0.039 0.000 0.847 284 D CB 0.468 41.305 40.800 0.062 0.000 0.988 284 D HN 0.734 nan 8.370 nan 0.000 0.480 285 W N -0.692 120.490 121.300 -0.197 0.000 3.059 285 W HA 0.465 5.125 4.660 -0.000 0.000 0.329 285 W C -2.175 174.303 176.519 -0.068 0.000 1.246 285 W CA -0.955 56.346 57.345 -0.073 0.000 1.190 285 W CB 0.665 30.144 29.460 0.032 0.000 1.423 285 W HN -0.426 nan 8.180 nan 0.000 0.571 286 V N 3.656 123.496 119.914 -0.124 0.000 2.364 286 V HA 0.134 4.254 4.120 -0.000 0.000 0.272 286 V C 0.531 176.541 176.094 -0.141 0.000 1.036 286 V CA -0.509 61.661 62.300 -0.218 0.000 0.880 286 V CB 0.408 32.200 31.823 -0.053 0.000 0.991 286 V HN 0.642 nan 8.190 nan 0.000 0.460 287 H N 4.297 123.151 119.070 -0.359 0.000 3.070 287 H HA 0.024 4.580 4.556 -0.000 0.000 0.313 287 H C 1.203 176.531 175.328 0.000 0.000 0.997 287 H CA 0.569 56.592 56.048 -0.043 0.000 1.438 287 H CB 1.413 31.143 29.762 -0.054 0.000 1.455 287 H HN 0.795 nan 8.280 nan 0.000 0.575 288 A N 4.483 127.199 122.820 -0.174 0.000 2.125 288 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 288 A C 2.111 179.602 177.584 -0.155 0.000 1.156 288 A CA 1.391 53.355 52.037 -0.121 0.000 0.671 288 A CB -0.208 18.720 19.000 -0.120 0.000 0.794 288 A HN 0.780 nan 8.150 nan 0.000 0.459 289 A N -0.417 122.327 122.820 -0.127 0.000 1.944 289 A HA 0.165 4.484 4.320 -0.000 0.000 0.209 289 A C 2.352 179.843 177.584 -0.155 0.000 1.328 289 A CA 1.362 53.183 52.037 -0.360 0.000 0.693 289 A CB -0.712 17.564 19.000 -1.206 0.000 0.994 289 A HN 0.864 nan 8.150 nan 0.000 0.485 290 S N -1.523 114.172 115.700 -0.008 0.000 2.496 290 S HA 0.033 4.502 4.470 -0.000 0.000 0.224 290 S C 0.714 175.311 174.600 -0.005 0.000 0.996 290 S CA 0.983 59.173 58.200 -0.017 0.000 0.927 290 S CB 0.047 63.258 63.200 0.018 0.000 0.774 290 S HN 0.352 nan 8.310 nan 0.000 0.524 291 K N -0.063 120.356 120.400 0.031 0.000 3.341 291 K HA -0.094 4.226 4.320 -0.000 0.000 0.305 291 K C -0.392 176.176 176.600 -0.053 0.000 1.270 291 K CA 0.640 56.920 56.287 -0.011 0.000 0.897 291 K CB -2.884 29.604 32.500 -0.021 0.000 1.264 291 K HN 0.475 nan 8.250 nan 0.000 0.468 292 V N 2.122 122.000 119.914 -0.060 0.000 2.583 292 V HA 0.170 4.290 4.120 -0.000 0.000 0.287 292 V C -1.896 174.068 176.094 -0.217 0.000 1.051 292 V CA -1.376 60.846 62.300 -0.131 0.000 1.010 292 V CB 1.070 32.799 31.823 -0.157 0.000 0.988 292 V HN -0.038 nan 8.190 nan 0.000 0.478 293 P HA 0.255 nan 4.420 nan 0.000 0.276 293 P C -0.567 176.502 177.300 -0.384 0.000 1.264 293 P CA -0.046 62.879 63.100 -0.292 0.000 0.769 293 P CB 0.379 31.959 31.700 -0.200 0.000 0.840 294 M N 3.542 122.747 119.600 -0.658 0.000 2.598 294 M HA 0.476 4.956 4.480 -0.000 0.000 0.317 294 M C 0.058 176.026 176.300 -0.553 0.000 1.201 294 M CA -0.888 53.962 55.300 -0.750 0.000 0.971 294 M CB 1.098 32.781 32.600 -1.528 0.000 1.657 294 M HN 0.152 nan 8.290 nan 0.000 0.470 295 I N 1.765 122.111 120.570 -0.373 0.000 2.404 295 I HA 0.340 4.509 4.170 -0.000 0.000 0.293 295 I C -0.111 175.888 176.117 -0.196 0.000 0.992 295 I CA -0.732 60.391 61.300 -0.294 0.000 1.149 295 I CB 1.620 39.452 38.000 -0.279 0.000 1.315 295 I HN 0.568 nan 8.210 nan 0.000 0.446 296 K N 6.776 127.058 120.400 -0.196 0.000 2.183 296 K HA 0.464 4.784 4.320 -0.000 0.000 0.274 296 K C -0.600 175.799 176.600 -0.335 0.000 1.009 296 K CA -0.354 55.770 56.287 -0.271 0.000 0.888 296 K CB 0.831 33.036 32.500 -0.491 0.000 1.078 296 K HN 0.366 nan 8.250 nan 0.000 0.459 297 M N 3.233 122.647 119.600 -0.311 0.000 2.277 297 M HA 0.299 4.779 4.480 -0.000 0.000 0.350 297 M C -0.794 175.265 176.300 -0.401 0.000 1.180 297 M CA -0.450 54.685 55.300 -0.274 0.000 1.103 297 M CB 1.524 34.033 32.600 -0.151 0.000 1.577 297 M HN 0.598 nan 8.290 nan 0.000 0.459 298 Q N 0.380 119.912 119.800 -0.447 0.000 2.356 298 Q HA 0.336 4.675 4.340 -0.000 0.000 0.270 298 Q C -0.811 174.849 176.000 -0.567 0.000 1.058 298 Q CA -0.589 54.828 55.803 -0.644 0.000 0.802 298 Q CB 1.177 29.392 28.738 -0.872 0.000 1.303 298 Q HN 0.727 nan 8.270 nan 0.000 0.444 299 H N -0.751 118.359 119.070 0.067 0.000 1.736 299 H HA -0.156 4.400 4.556 -0.000 0.000 0.327 299 H C -2.114 173.241 175.328 0.045 0.000 0.823 299 H CA -0.159 55.947 56.048 0.098 0.000 1.082 299 H CB -1.227 28.631 29.762 0.159 0.000 1.537 299 H HN 0.403 nan 8.280 nan 0.000 0.284 300 P HA 0.021 nan 4.420 nan 0.000 0.249 300 P C 0.504 177.796 177.300 -0.013 0.000 1.686 300 P CA 0.103 63.152 63.100 -0.086 0.000 0.873 300 P CB 0.319 31.720 31.700 -0.498 0.000 1.828 301 E N -0.578 119.703 120.200 0.136 0.000 2.058 301 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 301 E C 1.576 178.224 176.600 0.079 0.000 0.997 301 E CA 1.492 57.977 56.400 0.142 0.000 0.801 301 E CB -0.888 28.895 29.700 0.137 0.000 0.746 301 E HN 0.330 nan 8.360 nan 0.000 0.450 302 Y N 1.597 121.866 120.300 -0.051 0.000 2.114 302 Y HA -0.221 4.329 4.550 -0.000 0.000 0.284 302 Y C 1.808 177.578 175.900 -0.217 0.000 1.143 302 Y CA 1.966 60.007 58.100 -0.099 0.000 1.135 302 Y CB -0.205 38.161 38.460 -0.156 0.000 0.980 302 Y HN -0.024 nan 8.280 nan 0.000 0.499 303 E N -0.679 119.276 120.200 -0.408 0.000 2.118 303 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 303 E C 2.163 178.588 176.600 -0.291 0.000 0.992 303 E CA 2.011 58.078 56.400 -0.554 0.000 0.804 303 E CB -0.454 29.142 29.700 -0.174 0.000 0.741 303 E HN 0.429 nan 8.360 nan 0.000 0.458 304 T N 0.292 114.769 114.554 -0.128 0.000 2.770 304 T HA -0.078 4.272 4.350 -0.000 0.000 0.263 304 T C 1.551 176.245 174.700 -0.010 0.000 1.039 304 T CA 1.124 63.232 62.100 0.014 0.000 1.142 304 T CB -0.342 68.562 68.868 0.060 0.000 0.868 304 T HN 0.322 nan 8.240 nan 0.000 0.435 305 F N 2.975 122.806 119.950 -0.197 0.000 2.259 305 F HA -0.074 4.453 4.527 -0.000 0.000 0.298 305 F C 2.337 177.973 175.800 -0.274 0.000 1.088 305 F CA 0.892 58.764 58.000 -0.214 0.000 1.358 305 F CB -0.442 38.359 39.000 -0.332 0.000 1.040 305 F HN 0.096 nan 8.300 nan 0.000 0.505 306 Q N 1.029 120.311 119.800 -0.862 0.000 2.226 306 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 306 Q C 0.925 176.508 176.000 -0.695 0.000 0.975 306 Q CA 1.889 57.049 55.803 -1.071 0.000 0.866 306 Q CB -1.153 26.925 28.738 -1.101 0.000 0.915 306 Q HN 0.642 nan 8.270 nan 0.000 0.440 307 D N -0.426 119.691 120.400 -0.472 0.000 2.424 307 D HA 0.222 4.862 4.640 -0.000 0.000 0.220 307 D C 0.459 176.620 176.300 -0.233 0.000 1.150 307 D CA 0.084 53.913 54.000 -0.284 0.000 0.831 307 D CB -0.308 40.394 40.800 -0.163 0.000 0.981 307 D HN 0.233 nan 8.370 nan 0.000 0.500 308 G N 0.978 109.603 108.800 -0.292 0.000 2.557 308 G HA2 0.352 4.312 3.960 -0.000 0.000 0.292 308 G HA3 0.352 4.312 3.960 -0.000 0.000 0.292 308 G C -1.659 173.128 174.900 -0.189 0.000 1.237 308 G CA -1.260 43.726 45.100 -0.190 0.000 0.978 308 G HN -0.140 nan 8.290 nan 0.000 0.498 309 P HA -0.079 nan 4.420 nan 0.000 0.218 309 P C 0.909 178.056 177.300 -0.255 0.000 1.148 309 P CA 1.347 64.331 63.100 -0.194 0.000 0.822 309 P CB 0.135 31.709 31.700 -0.209 0.000 0.784 310 H N -1.853 117.151 119.070 -0.111 0.000 2.344 310 H HA 0.104 4.660 4.556 -0.000 0.000 0.307 310 H C 2.255 177.491 175.328 -0.154 0.000 1.057 310 H CA 1.633 57.655 56.048 -0.042 0.000 1.373 310 H CB -0.987 28.827 29.762 0.086 0.000 1.421 310 H HN 0.038 nan 8.280 nan 0.000 0.532 311 G N 0.434 109.019 108.800 -0.358 0.000 2.440 311 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.218 311 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.218 311 G C 1.829 176.457 174.900 -0.452 0.000 1.154 311 G CA 0.943 45.501 45.100 -0.904 0.000 0.767 311 G HN 0.502 nan 8.290 nan 0.000 0.552 312 A N 0.585 123.203 122.820 -0.336 0.000 2.121 312 A HA 0.423 4.743 4.320 -0.000 0.000 0.218 312 A C 2.434 179.941 177.584 -0.129 0.000 1.154 312 A CA 1.811 53.723 52.037 -0.208 0.000 0.679 312 A CB -0.292 18.607 19.000 -0.169 0.000 0.795 312 A HN 0.799 nan 8.150 nan 0.000 0.458 313 A N -1.819 120.935 122.820 -0.110 0.000 2.307 313 A HA 0.449 4.769 4.320 -0.000 0.000 0.218 313 A C 1.597 179.168 177.584 -0.021 0.000 1.228 313 A CA 0.977 52.978 52.037 -0.060 0.000 0.857 313 A CB -0.792 18.171 19.000 -0.062 0.000 0.897 313 A HN 1.777 nan 8.150 nan 0.000 0.495 314 G N -1.183 107.604 108.800 -0.021 0.000 2.136 314 G HA2 -0.188 3.771 3.960 -0.000 0.000 0.242 314 G HA3 -0.188 3.771 3.960 -0.000 0.000 0.242 314 G C 0.127 175.075 174.900 0.079 0.000 0.989 314 G CA 0.137 45.251 45.100 0.024 0.000 0.682 314 G HN 0.733 nan 8.290 nan 0.000 0.522 315 V N 1.613 121.596 119.914 0.116 0.000 2.583 315 V HA 0.626 4.745 4.120 -0.000 0.000 0.287 315 V C 1.057 177.325 176.094 0.289 0.000 1.051 315 V CA 0.274 62.690 62.300 0.193 0.000 1.010 315 V CB 1.547 33.535 31.823 0.274 0.000 0.988 315 V HN 0.946 nan 8.190 nan 0.000 0.478 316 S N 3.037 118.857 115.700 0.200 0.000 2.690 316 S HA 0.227 4.697 4.470 -0.000 0.000 0.291 316 S C 1.130 175.732 174.600 0.002 0.000 1.138 316 S CA -0.528 57.771 58.200 0.164 0.000 1.013 316 S CB 1.284 64.537 63.200 0.088 0.000 1.053 316 S HN 0.718 nan 8.310 nan 0.000 0.539 317 C N 1.032 120.217 119.300 -0.192 0.000 2.398 317 C HA -0.062 4.397 4.460 -0.000 0.000 0.276 317 C C 3.166 178.118 174.990 -0.063 0.000 1.222 317 C CA 1.242 60.110 59.018 -0.251 0.000 1.746 317 C CB -2.141 25.399 27.740 -0.332 0.000 2.039 317 C HN 0.999 nan 8.230 nan 0.000 0.470 318 A N 0.779 123.557 122.820 -0.070 0.000 1.972 318 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 318 A C 1.767 179.285 177.584 -0.110 0.000 1.169 318 A CA 2.018 54.007 52.037 -0.081 0.000 0.635 318 A CB -0.551 18.396 19.000 -0.088 0.000 0.810 318 A HN 0.559 nan 8.150 nan 0.000 0.446 319 D N -0.580 119.775 120.400 -0.076 0.000 2.149 319 D HA -0.135 4.505 4.640 -0.000 0.000 0.198 319 D C 1.814 178.055 176.300 -0.099 0.000 0.990 319 D CA 1.569 55.521 54.000 -0.079 0.000 0.839 319 D CB -0.312 40.493 40.800 0.009 0.000 0.948 319 D HN 0.486 nan 8.370 nan 0.000 0.460 320 C N -0.935 118.297 119.300 -0.113 0.000 2.609 320 C HA 0.104 4.564 4.460 -0.000 0.000 0.305 320 C C 2.095 176.884 174.990 -0.335 0.000 1.319 320 C CA -0.176 58.712 59.018 -0.216 0.000 1.793 320 C CB -0.405 27.167 27.740 -0.280 0.000 2.260 320 C HN 0.427 nan 8.230 nan 0.000 0.535 321 H N -0.869 118.115 119.070 -0.143 0.000 2.648 321 H HA 0.300 4.855 4.556 -0.000 0.000 0.265 321 H C 0.640 175.873 175.328 -0.158 0.000 0.961 321 H CA 0.715 56.665 56.048 -0.163 0.000 1.185 321 H CB 0.292 29.949 29.762 -0.175 0.000 1.449 321 H HN 0.426 nan 8.280 nan 0.000 0.523 322 M N 2.449 122.004 119.600 -0.076 0.000 3.124 322 M HA 0.106 4.586 4.480 -0.000 0.000 0.298 322 M C -0.212 175.966 176.300 -0.205 0.000 1.403 322 M CA -0.263 54.963 55.300 -0.124 0.000 0.651 322 M CB 1.356 33.852 32.600 -0.173 0.000 1.412 322 M HN 0.118 nan 8.290 nan 0.000 0.477 323 Q N 0.031 119.740 119.800 -0.152 0.000 2.369 323 Q HA 0.072 4.411 4.340 -0.000 0.000 0.295 323 Q C -1.072 174.846 176.000 -0.135 0.000 1.075 323 Q CA 0.494 56.197 55.803 -0.167 0.000 0.941 323 Q CB 0.539 29.250 28.738 -0.045 0.000 1.260 323 Q HN 0.336 nan 8.270 nan 0.000 0.417 333 S N 2.163 118.061 115.700 0.330 0.000 2.457 333 S HA 0.411 4.881 4.470 -0.000 0.000 0.289 333 S C -0.131 174.653 174.600 0.306 0.000 1.163 333 S CA -0.375 57.982 58.200 0.261 0.000 1.078 333 S CB 1.311 64.631 63.200 0.201 0.000 0.987 333 S HN 0.710 nan 8.310 nan 0.000 0.482 334 S N 1.888 117.704 115.700 0.193 0.000 2.537 334 S HA 0.064 4.533 4.470 -0.000 0.000 0.286 334 S C 0.122 174.864 174.600 0.237 0.000 1.299 334 S CA -0.018 58.330 58.200 0.246 0.000 1.067 334 S CB 0.104 63.421 63.200 0.195 0.000 0.864 334 S HN 0.736 nan 8.310 nan 0.000 0.494 335 H N 2.793 121.993 119.070 0.216 0.000 2.505 335 H HA 0.251 4.807 4.556 -0.000 0.000 0.286 335 H C -0.892 174.626 175.328 0.317 0.000 1.072 335 H CA -0.364 55.847 56.048 0.271 0.000 1.141 335 H CB 0.056 30.003 29.762 0.309 0.000 1.550 335 H HN 0.662 nan 8.280 nan 0.000 0.547 336 W N 2.555 123.920 121.300 0.108 0.000 2.433 336 W HA 0.295 4.955 4.660 -0.000 0.000 0.331 336 W C -0.820 175.691 176.519 -0.013 0.000 1.110 336 W CA -1.450 55.903 57.345 0.015 0.000 1.450 336 W CB -0.306 29.162 29.460 0.013 0.000 1.348 336 W HN 0.049 nan 8.180 nan 0.000 0.415 337 M N 7.330 126.959 119.600 0.049 0.000 2.206 337 M HA 0.255 4.735 4.480 -0.000 0.000 0.353 337 M C 0.265 176.415 176.300 -0.250 0.000 1.242 337 M CA 0.096 55.323 55.300 -0.122 0.000 1.179 337 M CB 0.982 33.516 32.600 -0.109 0.000 1.374 337 M HN 0.343 nan 8.290 nan 0.000 0.427 338 T N 0.085 114.459 114.554 -0.299 0.000 2.612 338 T HA 0.340 4.690 4.350 -0.000 0.000 0.296 338 T C -0.991 173.584 174.700 -0.208 0.000 1.148 338 T CA -0.570 61.335 62.100 -0.324 0.000 1.077 338 T CB 1.676 70.171 68.868 -0.622 0.000 1.591 338 T HN 0.466 nan 8.240 nan 0.000 0.479 339 S N 1.360 116.927 115.700 -0.222 0.000 2.481 339 S HA 0.357 4.826 4.470 -0.000 0.000 0.276 339 S C -1.773 172.669 174.600 -0.263 0.000 1.247 339 S CA -1.067 57.040 58.200 -0.155 0.000 1.053 339 S CB 0.768 63.901 63.200 -0.112 0.000 0.925 339 S HN 0.462 nan 8.310 nan 0.000 0.491 340 P HA -0.030 nan 4.420 nan 0.000 0.225 340 P C 1.181 178.346 177.300 -0.225 0.000 1.148 340 P CA 0.867 63.792 63.100 -0.291 0.000 0.779 340 P CB 0.083 31.580 31.700 -0.338 0.000 0.780 341 M N -1.170 118.314 119.600 -0.193 0.000 2.686 341 M HA -0.023 4.457 4.480 -0.000 0.000 0.246 341 M C 1.413 177.647 176.300 -0.109 0.000 1.096 341 M CA 1.109 56.323 55.300 -0.144 0.000 1.076 341 M CB -0.812 31.718 32.600 -0.116 0.000 1.504 341 M HN 0.051 nan 8.290 nan 0.000 0.524 342 K N 0.194 120.512 120.400 -0.137 0.000 2.288 342 K HA -0.090 4.230 4.320 -0.000 0.000 0.201 342 K C 0.427 177.002 176.600 -0.042 0.000 1.048 342 K CA 0.530 56.764 56.287 -0.088 0.000 0.956 342 K CB 0.010 32.433 32.500 -0.130 0.000 0.746 342 K HN 0.161 nan 8.250 nan 0.000 0.461 343 D N 0.687 121.047 120.400 -0.067 0.000 2.380 343 D HA 0.086 4.726 4.640 -0.000 0.000 0.230 343 D C -2.026 174.264 176.300 -0.017 0.000 1.154 343 D CA -2.618 51.371 54.000 -0.018 0.000 0.859 343 D CB 1.546 42.331 40.800 -0.025 0.000 1.045 343 D HN -0.189 nan 8.370 nan 0.000 0.495 344 P HA -0.117 nan 4.420 nan 0.000 0.219 344 P C 0.705 178.009 177.300 0.007 0.000 1.146 344 P CA 0.938 64.040 63.100 0.003 0.000 0.808 344 P CB 0.382 32.091 31.700 0.014 0.000 0.779 345 E N -1.429 118.780 120.200 0.015 0.000 2.474 345 E HA 0.109 4.459 4.350 -0.000 0.000 0.194 345 E C 0.534 177.145 176.600 0.018 0.000 1.041 345 E CA 0.169 56.583 56.400 0.023 0.000 0.874 345 E CB -0.194 29.526 29.700 0.034 0.000 0.914 345 E HN 0.123 nan 8.360 nan 0.000 0.498 346 M N 0.907 120.504 119.600 -0.004 0.000 2.249 346 M HA -0.249 4.231 4.480 -0.000 0.000 0.198 346 M C 0.691 176.995 176.300 0.007 0.000 0.394 346 M CA 0.500 55.788 55.300 -0.021 0.000 0.427 346 M CB -1.495 31.088 32.600 -0.027 0.000 1.307 346 M HN 0.085 nan 8.290 nan 0.000 0.924 347 R N 0.382 120.892 120.500 0.017 0.000 2.103 347 R HA -0.035 4.305 4.340 -0.000 0.000 0.242 347 R C 2.151 178.471 176.300 0.033 0.000 1.142 347 R CA 1.959 58.081 56.100 0.037 0.000 0.960 347 R CB -0.735 29.594 30.300 0.049 0.000 0.858 347 R HN 0.699 nan 8.270 nan 0.000 0.439 348 A N -0.006 122.812 122.820 -0.002 0.000 2.125 348 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 348 A C 2.250 179.838 177.584 0.007 0.000 1.156 348 A CA 1.503 53.525 52.037 -0.024 0.000 0.671 348 A CB -0.463 18.480 19.000 -0.095 0.000 0.794 348 A HN 0.454 nan 8.150 nan 0.000 0.459 349 C N -1.983 117.343 119.300 0.043 0.000 2.674 349 C HA 0.213 4.672 4.460 -0.000 0.000 0.276 349 C C 2.168 177.277 174.990 0.198 0.000 1.300 349 C CA -0.099 59.002 59.018 0.139 0.000 1.732 349 C CB -0.940 26.875 27.740 0.125 0.000 2.076 349 C HN 0.579 nan 8.230 nan 0.000 0.548 350 R N 1.913 122.492 120.500 0.131 0.000 2.319 350 R HA -0.025 4.315 4.340 -0.000 0.000 0.204 350 R C 2.166 178.523 176.300 0.095 0.000 0.954 350 R CA 0.344 56.522 56.100 0.130 0.000 1.066 350 R CB -0.116 30.244 30.300 0.100 0.000 0.991 350 R HN 0.664 nan 8.270 nan 0.000 0.486 351 Q N -0.667 119.184 119.800 0.085 0.000 2.398 351 Q HA -0.022 4.318 4.340 -0.000 0.000 0.204 351 Q C 1.181 177.202 176.000 0.035 0.000 0.932 351 Q CA 0.931 56.777 55.803 0.071 0.000 0.916 351 Q CB 0.104 28.904 28.738 0.102 0.000 1.024 351 Q HN 0.265 nan 8.270 nan 0.000 0.504 352 C N 0.316 119.617 119.300 0.001 0.000 2.563 352 C HA 0.212 4.671 4.460 -0.000 0.000 0.346 352 C C 1.094 175.941 174.990 -0.239 0.000 1.334 352 C CA -0.122 58.813 59.018 -0.137 0.000 1.938 352 C CB -0.330 27.283 27.740 -0.211 0.000 2.445 352 C HN 0.498 nan 8.230 nan 0.000 0.541 353 H N 0.786 119.906 119.070 0.084 0.000 2.452 353 H HA 0.350 4.906 4.556 -0.000 0.000 0.240 353 H C 1.277 176.640 175.328 0.058 0.000 1.498 353 H CA 0.393 56.488 56.048 0.079 0.000 1.142 353 H CB 0.054 29.884 29.762 0.114 0.000 1.599 353 H HN 0.407 nan 8.280 nan 0.000 0.527 354 A N 1.434 124.314 122.820 0.100 0.000 2.024 354 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 354 A C 1.755 179.376 177.584 0.061 0.000 1.164 354 A CA 1.636 53.716 52.037 0.072 0.000 0.643 354 A CB -0.068 18.958 19.000 0.043 0.000 0.806 354 A HN 0.468 nan 8.150 nan 0.000 0.451 355 D N -0.994 119.440 120.400 0.056 0.000 2.328 355 D HA 0.065 4.705 4.640 -0.000 0.000 0.221 355 D C 0.034 176.332 176.300 -0.003 0.000 1.072 355 D CA 0.210 54.222 54.000 0.019 0.000 0.850 355 D CB 0.076 40.877 40.800 0.001 0.000 0.922 355 D HN 0.067 nan 8.370 nan 0.000 0.516 356 K N 0.719 121.143 120.400 0.040 0.000 2.207 356 K HA 0.362 4.682 4.320 -0.000 0.000 0.255 356 K C 0.411 177.055 176.600 0.072 0.000 0.941 356 K CA -0.505 55.796 56.287 0.024 0.000 0.825 356 K CB 1.631 34.191 32.500 0.101 0.000 1.119 356 K HN 0.162 nan 8.250 nan 0.000 0.430 357 T N -2.187 112.414 114.554 0.078 0.000 2.849 357 T HA 0.227 4.577 4.350 -0.000 0.000 0.284 357 T C 1.529 176.296 174.700 0.111 0.000 1.004 357 T CA -0.188 61.964 62.100 0.086 0.000 1.021 357 T CB 1.143 70.058 68.868 0.079 0.000 1.013 357 T HN 0.565 nan 8.240 nan 0.000 0.527 358 G N 0.233 109.075 108.800 0.071 0.000 2.421 358 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 358 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 358 G C 1.339 176.261 174.900 0.037 0.000 1.171 358 G CA 0.952 46.078 45.100 0.045 0.000 0.775 358 G HN 0.820 nan 8.290 nan 0.000 0.543 359 E N -0.039 120.191 120.200 0.050 0.000 2.070 359 E HA -0.219 4.131 4.350 -0.000 0.000 0.197 359 E C 2.036 178.660 176.600 0.040 0.000 1.004 359 E CA 1.292 57.715 56.400 0.038 0.000 0.805 359 E CB -0.619 29.111 29.700 0.050 0.000 0.744 359 E HN 0.530 nan 8.360 nan 0.000 0.451 360 Y N 0.455 120.748 120.300 -0.011 0.000 2.128 360 Y HA -0.182 4.367 4.550 -0.000 0.000 0.284 360 Y C 1.975 177.856 175.900 -0.032 0.000 1.154 360 Y CA 2.016 60.107 58.100 -0.015 0.000 1.149 360 Y CB -0.339 38.113 38.460 -0.014 0.000 0.976 360 Y HN 0.069 nan 8.280 nan 0.000 0.505 361 L N -0.178 121.031 121.223 -0.024 0.000 2.046 361 L HA -0.244 4.096 4.340 -0.000 0.000 0.208 361 L C 2.681 179.428 176.870 -0.205 0.000 1.077 361 L CA 1.573 56.337 54.840 -0.127 0.000 0.747 361 L CB -0.526 41.513 42.059 -0.035 0.000 0.896 361 L HN 0.157 nan 8.230 nan 0.000 0.432 362 R N -0.338 120.075 120.500 -0.145 0.000 2.073 362 R HA -0.190 4.149 4.340 -0.000 0.000 0.234 362 R C 2.340 178.560 176.300 -0.134 0.000 1.134 362 R CA 1.536 57.555 56.100 -0.136 0.000 0.952 362 R CB -0.302 29.951 30.300 -0.078 0.000 0.850 362 R HN 0.476 nan 8.270 nan 0.000 0.433 363 Q N -0.281 119.429 119.800 -0.151 0.000 2.170 363 Q HA -0.111 4.229 4.340 -0.000 0.000 0.203 363 Q C 2.012 177.937 176.000 -0.125 0.000 0.976 363 Q CA 1.031 56.762 55.803 -0.119 0.000 0.858 363 Q CB 0.070 28.731 28.738 -0.128 0.000 0.907 363 Q HN 0.128 nan 8.270 nan 0.000 0.433 364 R N -0.133 120.205 120.500 -0.270 0.000 2.153 364 R HA -0.014 4.326 4.340 -0.000 0.000 0.218 364 R C 2.156 178.456 176.300 0.000 0.000 1.072 364 R CA 0.573 56.559 56.100 -0.190 0.000 0.990 364 R CB -0.695 29.408 30.300 -0.328 0.000 0.889 364 R HN 0.158 nan 8.270 nan 0.000 0.452 365 V N 1.516 121.374 119.914 -0.094 0.000 2.307 365 V HA -0.181 3.939 4.120 -0.000 0.000 0.245 365 V C 2.408 178.512 176.094 0.015 0.000 1.045 365 V CA 1.481 63.707 62.300 -0.123 0.000 1.024 365 V CB -0.448 31.123 31.823 -0.419 0.000 0.651 365 V HN 0.163 nan 8.190 nan 0.000 0.449 366 L N -1.347 119.884 121.223 0.012 0.000 2.131 366 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 366 L C 2.439 179.353 176.870 0.075 0.000 1.092 366 L CA 1.715 56.593 54.840 0.063 0.000 0.759 366 L CB -0.761 41.346 42.059 0.080 0.000 0.903 366 L HN 0.381 nan 8.230 nan 0.000 0.435 367 Y N 0.928 121.218 120.300 -0.017 0.000 2.151 367 Y HA -0.323 4.227 4.550 -0.000 0.000 0.284 367 Y C 2.641 178.544 175.900 0.005 0.000 1.166 367 Y CA 2.291 60.386 58.100 -0.008 0.000 1.163 367 Y CB -0.188 38.261 38.460 -0.019 0.000 0.974 367 Y HN 0.050 nan 8.280 nan 0.000 0.511 368 T N -0.083 114.583 114.554 0.187 0.000 2.809 368 T HA -0.138 4.212 4.350 -0.000 0.000 0.260 368 T C 1.711 176.404 174.700 -0.011 0.000 1.039 368 T CA 1.422 63.590 62.100 0.112 0.000 1.141 368 T CB -0.143 68.844 68.868 0.199 0.000 0.869 368 T HN 0.413 nan 8.240 nan 0.000 0.437 369 Q N 0.825 120.593 119.800 -0.053 0.000 2.084 369 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 369 Q C 2.438 178.172 176.000 -0.444 0.000 0.978 369 Q CA 1.380 57.029 55.803 -0.257 0.000 0.844 369 Q CB -0.198 28.333 28.738 -0.346 0.000 0.898 369 Q HN 0.564 nan 8.270 nan 0.000 0.426 370 Q N 1.165 120.777 119.800 -0.313 0.000 2.084 370 Q HA -0.191 4.149 4.340 -0.000 0.000 0.202 370 Q C 1.724 177.663 176.000 -0.101 0.000 0.978 370 Q CA 1.341 57.032 55.803 -0.187 0.000 0.844 370 Q CB 0.150 28.871 28.738 -0.027 0.000 0.898 370 Q HN 0.219 nan 8.270 nan 0.000 0.426 371 K N -0.594 119.731 120.400 -0.125 0.000 2.057 371 K HA -0.081 4.239 4.320 -0.000 0.000 0.206 371 K C 2.159 178.725 176.600 -0.057 0.000 1.050 371 K CA 1.737 57.966 56.287 -0.096 0.000 0.935 371 K CB -0.059 32.365 32.500 -0.127 0.000 0.715 371 K HN 0.197 nan 8.250 nan 0.000 0.439 372 T N 0.973 115.495 114.554 -0.054 0.000 2.777 372 T HA -0.137 4.213 4.350 -0.000 0.000 0.266 372 T C 1.468 176.160 174.700 -0.014 0.000 1.040 372 T CA 1.124 63.213 62.100 -0.018 0.000 1.141 372 T CB -0.299 68.570 68.868 0.000 0.000 0.868 372 T HN 0.180 nan 8.240 nan 0.000 0.444 373 F N 2.355 122.184 119.950 -0.200 0.000 2.102 373 F HA -0.113 4.414 4.527 -0.000 0.000 0.298 373 F C 1.901 177.656 175.800 -0.075 0.000 1.105 373 F CA 1.317 59.224 58.000 -0.155 0.000 1.239 373 F CB -0.297 38.525 39.000 -0.297 0.000 0.991 373 F HN 0.034 nan 8.300 nan 0.000 0.474 374 D N -0.128 120.262 120.400 -0.017 0.000 2.117 374 D HA -0.177 4.463 4.640 -0.000 0.000 0.197 374 D C 2.236 178.449 176.300 -0.145 0.000 0.987 374 D CA 1.204 55.157 54.000 -0.079 0.000 0.829 374 D CB -0.458 40.343 40.800 0.002 0.000 0.961 374 D HN 0.358 nan 8.370 nan 0.000 0.460 375 Q N -0.053 119.687 119.800 -0.101 0.000 2.167 375 Q HA -0.065 4.275 4.340 -0.000 0.000 0.202 375 Q C 2.329 178.265 176.000 -0.108 0.000 0.970 375 Q CA 0.271 56.026 55.803 -0.081 0.000 0.855 375 Q CB -0.419 28.297 28.738 -0.037 0.000 0.911 375 Q HN 0.291 nan 8.270 nan 0.000 0.438 376 L N 0.645 121.781 121.223 -0.144 0.000 2.012 376 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 376 L C 2.096 178.816 176.870 -0.250 0.000 1.073 376 L CA 1.570 56.325 54.840 -0.142 0.000 0.748 376 L CB -0.767 41.218 42.059 -0.123 0.000 0.891 376 L HN 0.139 nan 8.230 nan 0.000 0.431 377 L N -0.681 120.322 121.223 -0.367 0.000 2.079 377 L HA -0.269 4.071 4.340 -0.000 0.000 0.210 377 L C 2.603 179.345 176.870 -0.214 0.000 1.081 377 L CA 1.721 56.363 54.840 -0.329 0.000 0.752 377 L CB -0.650 41.189 42.059 -0.367 0.000 0.896 377 L HN 0.359 nan 8.230 nan 0.000 0.433 378 K N -0.139 120.158 120.400 -0.172 0.000 2.062 378 K HA -0.065 4.254 4.320 -0.000 0.000 0.205 378 K C 2.251 178.774 176.600 -0.129 0.000 1.051 378 K CA 1.152 57.367 56.287 -0.120 0.000 0.941 378 K CB -0.189 32.260 32.500 -0.086 0.000 0.719 378 K HN 0.240 nan 8.250 nan 0.000 0.440 379 A N 1.462 124.204 122.820 -0.130 0.000 1.933 379 A HA -0.233 4.086 4.320 -0.000 0.000 0.218 379 A C 2.033 179.456 177.584 -0.268 0.000 1.175 379 A CA 1.375 53.348 52.037 -0.107 0.000 0.628 379 A CB -0.401 18.603 19.000 0.006 0.000 0.814 379 A HN 0.296 nan 8.150 nan 0.000 0.444 380 Q N -0.688 118.848 119.800 -0.440 0.000 2.046 380 Q HA -0.171 4.169 4.340 -0.000 0.000 0.200 380 Q C 2.057 177.803 176.000 -0.422 0.000 0.975 380 Q CA 1.507 56.897 55.803 -0.689 0.000 0.836 380 Q CB -0.174 28.155 28.738 -0.683 0.000 0.896 380 Q HN 0.748 nan 8.270 nan 0.000 0.428 381 E N 0.229 120.288 120.200 -0.235 0.000 2.070 381 E HA -0.248 4.102 4.350 -0.000 0.000 0.197 381 E C 1.914 178.388 176.600 -0.211 0.000 1.004 381 E CA 1.351 57.645 56.400 -0.176 0.000 0.805 381 E CB -0.081 29.590 29.700 -0.049 0.000 0.744 381 E HN 0.214 nan 8.360 nan 0.000 0.451 382 M N 0.354 119.861 119.600 -0.154 0.000 2.213 382 M HA -0.125 4.355 4.480 -0.000 0.000 0.263 382 M C 2.229 178.470 176.300 -0.098 0.000 1.062 382 M CA 1.294 56.529 55.300 -0.108 0.000 1.105 382 M CB -0.148 32.406 32.600 -0.076 0.000 1.385 382 M HN -0.080 nan 8.290 nan 0.000 0.417 383 S N -0.979 114.659 115.700 -0.104 0.000 2.368 383 S HA -0.086 4.384 4.470 -0.000 0.000 0.224 383 S C 1.825 176.461 174.600 0.059 0.000 1.029 383 S CA 1.390 59.601 58.200 0.019 0.000 0.988 383 S CB -0.400 62.901 63.200 0.170 0.000 0.838 383 S HN 0.374 nan 8.310 nan 0.000 0.462 384 V N 1.942 121.772 119.914 -0.140 0.000 2.343 384 V HA -0.143 3.977 4.120 -0.000 0.000 0.247 384 V C 2.527 178.585 176.094 -0.060 0.000 1.051 384 V CA 2.157 64.339 62.300 -0.197 0.000 1.036 384 V CB -0.634 30.670 31.823 -0.865 0.000 0.654 384 V HN 0.509 nan 8.190 nan 0.000 0.451 385 K N 0.108 120.437 120.400 -0.117 0.000 2.097 385 K HA -0.168 4.152 4.320 -0.000 0.000 0.206 385 K C 2.145 178.738 176.600 -0.011 0.000 1.049 385 K CA 1.461 57.716 56.287 -0.054 0.000 0.933 385 K CB -0.280 32.178 32.500 -0.069 0.000 0.717 385 K HN 0.449 nan 8.250 nan 0.000 0.442 386 A N 0.670 123.467 122.820 -0.039 0.000 1.898 386 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 386 A C 1.872 179.398 177.584 -0.095 0.000 1.181 386 A CA 1.293 53.274 52.037 -0.094 0.000 0.620 386 A CB -0.735 18.171 19.000 -0.156 0.000 0.819 386 A HN 0.374 nan 8.150 nan 0.000 0.442 387 H N -0.953 118.099 119.070 -0.029 0.000 2.321 387 H HA -0.122 4.433 4.556 -0.000 0.000 0.300 387 H C 2.195 177.548 175.328 0.042 0.000 1.087 387 H CA 1.974 57.986 56.048 -0.061 0.000 1.319 387 H CB -0.094 29.622 29.762 -0.076 0.000 1.379 387 H HN 0.629 nan 8.280 nan 0.000 0.501 388 E N 1.032 121.433 120.200 0.335 0.000 2.110 388 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 388 E C 2.337 179.016 176.600 0.132 0.000 0.988 388 E CA 1.214 57.806 56.400 0.319 0.000 0.804 388 E CB -0.194 29.686 29.700 0.299 0.000 0.745 388 E HN 0.375 nan 8.360 nan 0.000 0.458 389 A N 0.005 122.858 122.820 0.055 0.000 1.877 389 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 389 A C 2.503 180.069 177.584 -0.030 0.000 1.186 389 A CA 1.707 53.740 52.037 -0.007 0.000 0.620 389 A CB -0.820 18.151 19.000 -0.048 0.000 0.822 389 A HN 0.206 nan 8.150 nan 0.000 0.443 390 V N 0.000 119.885 119.914 -0.048 0.000 2.358 390 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 390 V C 2.648 178.728 176.094 -0.022 0.000 1.047 390 V CA 2.207 64.466 62.300 -0.069 0.000 1.035 390 V CB -0.800 30.956 31.823 -0.111 0.000 0.658 390 V HN 0.650 nan 8.190 nan 0.000 0.452 391 R N -0.158 120.345 120.500 0.005 0.000 2.073 391 R HA -0.145 4.195 4.340 -0.000 0.000 0.234 391 R C 2.327 178.659 176.300 0.053 0.000 1.134 391 R CA 1.718 57.829 56.100 0.017 0.000 0.952 391 R CB -0.318 29.985 30.300 0.006 0.000 0.850 391 R HN 0.434 nan 8.270 nan 0.000 0.433 392 L N 0.231 121.496 121.223 0.070 0.000 2.083 392 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 392 L C 2.720 179.652 176.870 0.104 0.000 1.083 392 L CA 1.327 56.221 54.840 0.089 0.000 0.752 392 L CB -0.503 41.600 42.059 0.074 0.000 0.899 392 L HN 0.342 nan 8.230 nan 0.000 0.433 393 A N 0.064 122.917 122.820 0.056 0.000 1.898 393 A HA -0.203 4.116 4.320 -0.000 0.000 0.216 393 A C 2.020 179.730 177.584 0.209 0.000 1.181 393 A CA 1.763 53.856 52.037 0.095 0.000 0.620 393 A CB -0.542 18.451 19.000 -0.011 0.000 0.819 393 A HN 0.418 nan 8.150 nan 0.000 0.442 394 N N 0.454 119.235 118.700 0.136 0.000 2.205 394 N HA -0.099 4.641 4.740 -0.000 0.000 0.186 394 N C 1.571 177.159 175.510 0.130 0.000 1.015 394 N CA 1.516 54.652 53.050 0.145 0.000 0.862 394 N CB -0.427 38.102 38.487 0.069 0.000 0.986 394 N HN 0.492 nan 8.380 nan 0.000 0.429 395 A N -0.763 122.131 122.820 0.123 0.000 2.218 395 A HA 0.006 4.326 4.320 -0.000 0.000 0.209 395 A C 0.384 178.042 177.584 0.124 0.000 1.168 395 A CA -0.335 51.761 52.037 0.098 0.000 0.804 395 A CB -0.408 18.643 19.000 0.084 0.000 0.834 395 A HN 0.269 nan 8.150 nan 0.000 0.482 396 Y N 1.846 122.164 120.300 0.031 0.000 2.620 396 Y HA 0.068 4.618 4.550 -0.000 0.000 0.330 396 Y C 0.971 176.860 175.900 -0.018 0.000 1.186 396 Y CA 0.529 58.639 58.100 0.017 0.000 1.467 396 Y CB 0.511 38.992 38.460 0.036 0.000 1.262 396 Y HN 0.401 nan 8.280 nan 0.000 0.550 397 E N 3.207 123.067 120.200 -0.566 0.000 2.489 397 E HA 0.160 4.510 4.350 -0.000 0.000 0.204 397 E C 0.955 177.212 176.600 -0.571 0.000 1.006 397 E CA 0.204 56.343 56.400 -0.435 0.000 0.936 397 E CB 0.469 30.021 29.700 -0.247 0.000 1.002 397 E HN 0.852 nan 8.360 nan 0.000 0.488 398 G N 0.222 108.300 108.800 -1.204 0.000 2.508 398 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.278 398 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.278 398 G C -0.533 174.282 174.900 -0.141 0.000 1.389 398 G CA -0.485 44.224 45.100 -0.653 0.000 1.050 398 G HN 0.210 nan 8.290 nan 0.000 0.522 399 H N 0.456 119.549 119.070 0.038 0.000 3.046 399 H HA 0.119 4.675 4.556 -0.000 0.000 0.303 399 H C 0.368 175.813 175.328 0.194 0.000 1.002 399 H CA 0.071 56.175 56.048 0.094 0.000 1.460 399 H CB 0.333 30.149 29.762 0.089 0.000 1.493 399 H HN 0.210 nan 8.280 nan 0.000 0.559 400 R N 2.648 123.054 120.500 -0.156 0.000 2.532 400 R HA 0.427 4.766 4.340 -0.000 0.000 0.272 400 R C -0.259 175.819 176.300 -0.370 0.000 1.032 400 R CA -0.596 55.399 56.100 -0.175 0.000 1.089 400 R CB 1.178 31.338 30.300 -0.234 0.000 1.098 400 R HN 0.620 nan 8.270 nan 0.000 0.526 401 A N 1.042 123.770 122.820 -0.153 0.000 2.386 401 A HA 0.363 4.683 4.320 -0.000 0.000 0.248 401 A C 1.148 178.700 177.584 -0.054 0.000 1.082 401 A CA 0.285 52.244 52.037 -0.131 0.000 0.789 401 A CB 0.519 19.470 19.000 -0.082 0.000 1.025 401 A HN 0.918 nan 8.150 nan 0.000 0.490 402 A N 1.694 124.492 122.820 -0.038 0.000 1.978 402 A HA -0.150 4.170 4.320 -0.000 0.000 0.220 402 A C 1.325 178.924 177.584 0.025 0.000 1.170 402 A CA 1.760 53.799 52.037 0.003 0.000 0.636 402 A CB -0.577 18.433 19.000 0.016 0.000 0.810 402 A HN 0.983 nan 8.150 nan 0.000 0.448 403 N N -1.178 117.532 118.700 0.016 0.000 2.378 403 N HA 0.015 4.754 4.740 -0.000 0.000 0.243 403 N C 0.620 176.139 175.510 0.016 0.000 1.137 403 N CA -0.122 52.935 53.050 0.011 0.000 0.862 403 N CB -0.755 37.723 38.487 -0.014 0.000 1.116 403 N HN 0.520 nan 8.380 nan 0.000 0.499 404 Y N 1.997 122.251 120.300 -0.077 0.000 2.069 404 Y HA -0.294 4.256 4.550 -0.000 0.000 0.278 404 Y C 1.897 177.755 175.900 -0.069 0.000 1.175 404 Y CA 2.122 60.172 58.100 -0.083 0.000 1.134 404 Y CB 0.105 38.524 38.460 -0.069 0.000 0.965 404 Y HN 0.076 nan 8.280 nan 0.000 0.498 405 E N 0.202 120.452 120.200 0.083 0.000 2.077 405 E HA -0.204 4.145 4.350 -0.000 0.000 0.193 405 E C 2.413 178.946 176.600 -0.112 0.000 0.989 405 E CA 1.161 57.551 56.400 -0.018 0.000 0.800 405 E CB -0.738 29.007 29.700 0.075 0.000 0.746 405 E HN 0.615 nan 8.360 nan 0.000 0.452 406 A N 1.105 123.877 122.820 -0.080 0.000 1.930 406 A HA -0.087 4.232 4.320 -0.000 0.000 0.217 406 A C 2.386 179.891 177.584 -0.131 0.000 1.175 406 A CA 0.841 52.826 52.037 -0.087 0.000 0.627 406 A CB -0.603 18.363 19.000 -0.057 0.000 0.815 406 A HN 0.147 nan 8.150 nan 0.000 0.443 407 L N -1.062 120.058 121.223 -0.171 0.000 2.056 407 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 407 L C 2.762 179.476 176.870 -0.259 0.000 1.078 407 L CA 1.022 55.739 54.840 -0.205 0.000 0.749 407 L CB -0.456 41.466 42.059 -0.228 0.000 0.901 407 L HN 0.301 nan 8.230 nan 0.000 0.433 408 M N -0.511 118.869 119.600 -0.367 0.000 2.175 408 M HA -0.125 4.355 4.480 -0.000 0.000 0.264 408 M C 2.582 178.746 176.300 -0.225 0.000 1.063 408 M CA 1.825 56.907 55.300 -0.363 0.000 1.119 408 M CB -1.339 30.943 32.600 -0.529 0.000 1.377 408 M HN 0.290 nan 8.290 nan 0.000 0.415 409 A N -0.297 122.416 122.820 -0.180 0.000 1.902 409 A HA -0.194 4.125 4.320 -0.000 0.000 0.217 409 A C 2.180 179.695 177.584 -0.116 0.000 1.181 409 A CA 1.898 53.860 52.037 -0.125 0.000 0.623 409 A CB -0.722 18.222 19.000 -0.094 0.000 0.818 409 A HN 0.578 nan 8.150 nan 0.000 0.443 410 E N -0.413 119.714 120.200 -0.122 0.000 2.152 410 E HA -0.035 4.314 4.350 -0.000 0.000 0.192 410 E C 2.145 178.667 176.600 -0.130 0.000 0.983 410 E CA 0.722 57.056 56.400 -0.110 0.000 0.818 410 E CB -0.181 29.457 29.700 -0.103 0.000 0.758 410 E HN 0.556 nan 8.360 nan 0.000 0.467 411 A N 1.365 124.090 122.820 -0.158 0.000 1.902 411 A HA -0.182 4.137 4.320 -0.000 0.000 0.217 411 A C 2.108 179.590 177.584 -0.170 0.000 1.181 411 A CA 1.312 53.247 52.037 -0.169 0.000 0.623 411 A CB -0.379 18.506 19.000 -0.192 0.000 0.818 411 A HN 0.152 nan 8.150 nan 0.000 0.443 412 R N -0.827 119.577 120.500 -0.161 0.000 2.070 412 R HA -0.156 4.184 4.340 -0.000 0.000 0.233 412 R C 2.250 178.464 176.300 -0.142 0.000 1.137 412 R CA 1.527 57.533 56.100 -0.157 0.000 0.945 412 R CB -0.370 29.849 30.300 -0.134 0.000 0.845 412 R HN 0.565 nan 8.270 nan 0.000 0.430 413 E N 0.597 120.734 120.200 -0.104 0.000 2.130 413 E HA -0.179 4.170 4.350 -0.000 0.000 0.196 413 E C 1.836 178.373 176.600 -0.104 0.000 0.998 413 E CA 1.449 57.816 56.400 -0.056 0.000 0.806 413 E CB 0.039 29.731 29.700 -0.014 0.000 0.738 413 E HN 0.126 nan 8.360 nan 0.000 0.459 414 M N -0.571 118.938 119.600 -0.151 0.000 2.254 414 M HA -0.063 4.416 4.480 -0.000 0.000 0.265 414 M C 2.146 178.319 176.300 -0.212 0.000 1.066 414 M CA 0.675 55.857 55.300 -0.198 0.000 1.123 414 M CB -0.499 31.991 32.600 -0.182 0.000 1.388 414 M HN 0.079 nan 8.290 nan 0.000 0.425 415 V N 0.352 120.131 119.914 -0.224 0.000 2.295 415 V HA -0.268 3.851 4.120 -0.000 0.000 0.246 415 V C 2.600 178.550 176.094 -0.240 0.000 1.049 415 V CA 1.976 64.097 62.300 -0.298 0.000 1.024 415 V CB -0.788 30.774 31.823 -0.435 0.000 0.648 415 V HN 0.464 nan 8.190 nan 0.000 0.447 416 R N 0.441 120.827 120.500 -0.190 0.000 2.083 416 R HA -0.247 4.092 4.340 -0.000 0.000 0.237 416 R C 2.422 178.671 176.300 -0.086 0.000 1.137 416 R CA 2.363 58.387 56.100 -0.126 0.000 0.951 416 R CB -0.328 29.932 30.300 -0.066 0.000 0.851 416 R HN 0.468 nan 8.270 nan 0.000 0.434 417 K N -0.627 119.681 120.400 -0.153 0.000 2.057 417 K HA -0.074 4.245 4.320 -0.000 0.000 0.206 417 K C 2.026 178.483 176.600 -0.238 0.000 1.050 417 K CA 1.501 57.599 56.287 -0.316 0.000 0.935 417 K CB -0.362 31.683 32.500 -0.759 0.000 0.715 417 K HN 0.374 nan 8.250 nan 0.000 0.439 418 G N 0.884 109.550 108.800 -0.223 0.000 2.440 418 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.218 418 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.218 418 G C 1.400 176.312 174.900 0.019 0.000 1.154 418 G CA 0.996 46.030 45.100 -0.110 0.000 0.767 418 G HN 0.451 nan 8.290 nan 0.000 0.552 419 Q N -0.333 119.427 119.800 -0.067 0.000 2.083 419 Q HA 0.085 4.425 4.340 -0.000 0.000 0.198 419 Q C 2.433 178.098 176.000 -0.559 0.000 0.969 419 Q CA 0.966 56.554 55.803 -0.358 0.000 0.838 419 Q CB -0.278 28.427 28.738 -0.056 0.000 0.900 419 Q HN 0.473 nan 8.270 nan 0.000 0.436 420 L N -0.159 120.953 121.223 -0.186 0.000 2.043 420 L HA -0.213 4.126 4.340 -0.000 0.000 0.212 420 L C 1.838 178.696 176.870 -0.020 0.000 1.075 420 L CA 1.390 56.187 54.840 -0.072 0.000 0.752 420 L CB -0.263 41.874 42.059 0.130 0.000 0.891 420 L HN 0.274 nan 8.230 nan 0.000 0.432 421 F N 0.203 120.048 119.950 -0.176 0.000 2.075 421 F HA -0.268 4.259 4.527 -0.000 0.000 0.297 421 F C 2.416 178.233 175.800 0.029 0.000 1.113 421 F CA 1.986 59.935 58.000 -0.085 0.000 1.218 421 F CB -1.198 37.751 39.000 -0.084 0.000 0.984 421 F HN 0.402 nan 8.300 nan 0.000 0.472 422 W N 0.303 121.745 121.300 0.236 0.000 2.363 422 W HA -0.179 4.480 4.660 -0.001 0.000 0.296 422 W C 1.540 178.171 176.519 0.187 0.000 1.212 422 W CA 1.110 58.555 57.345 0.167 0.000 1.260 422 W CB -1.180 28.340 29.460 0.099 0.000 1.131 422 W HN 0.064 nan 8.180 nan 0.000 0.530 423 D N 0.671 120.789 120.400 -0.469 0.000 2.144 423 D HA -0.243 4.397 4.640 -0.000 0.000 0.199 423 D C 1.922 178.251 176.300 0.048 0.000 0.984 423 D CA 1.327 55.120 54.000 -0.345 0.000 0.834 423 D CB -0.843 39.571 40.800 -0.643 0.000 0.955 423 D HN 0.265 nan 8.370 nan 0.000 0.465 424 Y N 0.153 120.400 120.300 -0.088 0.000 2.207 424 Y HA -0.223 4.327 4.550 -0.000 0.000 0.287 424 Y C 2.101 178.030 175.900 0.049 0.000 1.156 424 Y CA 1.379 59.450 58.100 -0.047 0.000 1.182 424 Y CB 0.021 38.397 38.460 -0.142 0.000 0.979 424 Y HN -0.129 nan 8.280 nan 0.000 0.521 425 V N -1.319 118.793 119.914 0.329 0.000 2.331 425 V HA -0.217 3.903 4.120 -0.000 0.000 0.242 425 V C 2.499 178.752 176.094 0.266 0.000 1.034 425 V CA 1.724 64.192 62.300 0.279 0.000 1.027 425 V CB -0.829 31.159 31.823 0.276 0.000 0.667 425 V HN 0.449 nan 8.190 nan 0.000 0.457 426 S N 0.530 116.450 115.700 0.367 0.000 2.365 426 S HA -0.237 4.232 4.470 -0.000 0.000 0.225 426 S C 2.077 176.915 174.600 0.398 0.000 1.039 426 S CA 1.928 60.383 58.200 0.426 0.000 1.033 426 S CB -0.432 63.157 63.200 0.648 0.000 0.887 426 S HN 0.603 nan 8.310 nan 0.000 0.447 427 A N 0.811 123.826 122.820 0.324 0.000 2.070 427 A HA 0.061 4.381 4.320 -0.000 0.000 0.220 427 A C 1.210 178.938 177.584 0.241 0.000 1.159 427 A CA 0.664 52.862 52.037 0.268 0.000 0.656 427 A CB -0.353 18.687 19.000 0.066 0.000 0.800 427 A HN 0.597 nan 8.150 nan 0.000 0.453 428 E N 0.562 120.868 120.200 0.176 0.000 2.338 428 E HA 0.081 4.431 4.350 -0.000 0.000 0.272 428 E C -0.198 176.519 176.600 0.195 0.000 1.029 428 E CA -0.287 56.205 56.400 0.154 0.000 0.872 428 E CB 0.299 30.043 29.700 0.073 0.000 1.015 428 E HN 0.400 nan 8.360 nan 0.000 0.417 429 N N 1.364 120.182 118.700 0.196 0.000 2.398 429 N HA -0.066 4.673 4.740 -0.000 0.000 0.188 429 N C 1.035 176.584 175.510 0.066 0.000 1.122 429 N CA 0.340 53.490 53.050 0.167 0.000 0.866 429 N CB 0.352 38.949 38.487 0.184 0.000 0.970 429 N HN 0.339 nan 8.380 nan 0.000 0.462 430 S N -0.620 115.052 115.700 -0.047 0.000 2.535 430 S HA 0.055 4.525 4.470 -0.000 0.000 0.214 430 S C 0.873 175.466 174.600 -0.012 0.000 0.980 430 S CA -0.225 57.862 58.200 -0.187 0.000 0.907 430 S CB 0.078 62.800 63.200 -0.797 0.000 0.790 430 S HN -0.033 nan 8.310 nan 0.000 0.510 431 V N 1.265 121.214 119.914 0.058 0.000 5.616 431 V HA -0.159 3.961 4.120 -0.000 0.000 0.301 431 V C 1.577 177.697 176.094 0.043 0.000 0.564 431 V CA 0.684 63.025 62.300 0.069 0.000 0.653 431 V CB -2.825 29.010 31.823 0.021 0.000 0.372 431 V HN 1.216 nan 8.190 nan 0.000 1.029 432 G N -0.331 108.510 108.800 0.069 0.000 2.268 432 G HA2 -0.408 3.551 3.960 -0.000 0.000 0.240 432 G HA3 -0.408 3.551 3.960 -0.000 0.000 0.240 432 G C 0.399 175.357 174.900 0.097 0.000 1.010 432 G CA 0.601 45.748 45.100 0.079 0.000 0.618 432 G HN 1.365 nan 8.290 nan 0.000 0.516 433 F N 1.566 121.501 119.950 -0.024 0.000 2.234 433 F HA 0.106 4.633 4.527 -0.000 0.000 0.299 433 F C 2.347 178.222 175.800 0.124 0.000 1.087 433 F CA 2.346 60.356 58.000 0.017 0.000 1.340 433 F CB -0.275 38.711 39.000 -0.024 0.000 1.031 433 F HN 0.440 nan 8.300 nan 0.000 0.500 434 H N -1.361 117.681 119.070 -0.047 0.000 2.387 434 H HA -0.110 4.446 4.556 -0.000 0.000 0.299 434 H C 0.308 175.558 175.328 -0.130 0.000 1.090 434 H CA 1.068 57.062 56.048 -0.089 0.000 1.332 434 H CB 0.018 29.852 29.762 0.120 0.000 1.386 434 H HN 0.061 nan 8.280 nan 0.000 0.516 435 N N -1.215 117.506 118.700 0.036 0.000 2.751 435 N HA 0.070 4.809 4.740 -0.000 0.000 0.238 435 N C -2.456 173.062 175.510 0.014 0.000 1.351 435 N CA -1.516 51.533 53.050 -0.001 0.000 0.751 435 N CB 0.881 39.381 38.487 0.021 0.000 1.342 435 N HN -0.133 nan 8.380 nan 0.000 0.540 436 P HA -0.082 nan 4.420 nan 0.000 0.215 436 P C 1.090 178.413 177.300 0.038 0.000 1.157 436 P CA 1.563 64.684 63.100 0.036 0.000 0.868 436 P CB 0.357 32.087 31.700 0.051 0.000 0.788 437 A N -0.263 122.570 122.820 0.022 0.000 1.902 437 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 437 A C 2.300 179.898 177.584 0.023 0.000 1.181 437 A CA 2.071 54.120 52.037 0.021 0.000 0.623 437 A CB -1.219 17.785 19.000 0.006 0.000 0.818 437 A HN 0.138 nan 8.150 nan 0.000 0.443 438 K N -0.339 120.073 120.400 0.019 0.000 2.097 438 K HA -0.010 4.310 4.320 -0.000 0.000 0.205 438 K C 2.123 178.752 176.600 0.048 0.000 1.050 438 K CA 1.169 57.468 56.287 0.020 0.000 0.938 438 K CB -0.342 32.167 32.500 0.016 0.000 0.718 438 K HN 0.341 nan 8.250 nan 0.000 0.442 439 A N 1.274 124.139 122.820 0.075 0.000 1.865 439 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 439 A C 2.125 179.760 177.584 0.085 0.000 1.191 439 A CA 1.597 53.695 52.037 0.102 0.000 0.623 439 A CB -0.775 18.285 19.000 0.099 0.000 0.826 439 A HN 0.328 nan 8.150 nan 0.000 0.444 440 L N -0.827 120.433 121.223 0.062 0.000 2.056 440 L HA -0.170 4.169 4.340 -0.000 0.000 0.207 440 L C 2.417 179.319 176.870 0.054 0.000 1.078 440 L CA 1.687 56.558 54.840 0.051 0.000 0.749 440 L CB -0.533 41.549 42.059 0.037 0.000 0.901 440 L HN 0.502 nan 8.230 nan 0.000 0.433 441 D N -0.618 119.811 120.400 0.049 0.000 2.117 441 D HA -0.180 4.459 4.640 -0.000 0.000 0.197 441 D C 1.989 178.341 176.300 0.086 0.000 0.987 441 D CA 1.574 55.604 54.000 0.050 0.000 0.829 441 D CB 0.169 40.990 40.800 0.035 0.000 0.961 441 D HN 0.093 nan 8.370 nan 0.000 0.460 442 T N -0.051 114.557 114.554 0.090 0.000 2.821 442 T HA -0.056 4.294 4.350 -0.000 0.000 0.267 442 T C 1.968 176.803 174.700 0.225 0.000 1.046 442 T CA 0.673 62.864 62.100 0.152 0.000 1.139 442 T CB -0.185 68.682 68.868 -0.001 0.000 0.871 442 T HN 0.168 nan 8.240 nan 0.000 0.454 443 L N 0.208 121.524 121.223 0.156 0.000 2.093 443 L HA 0.007 4.347 4.340 -0.000 0.000 0.208 443 L C 2.610 179.541 176.870 0.102 0.000 1.085 443 L CA 1.094 56.023 54.840 0.148 0.000 0.755 443 L CB -0.460 41.660 42.059 0.101 0.000 0.904 443 L HN 0.302 nan 8.230 nan 0.000 0.435 444 M N -0.597 119.045 119.600 0.070 0.000 2.117 444 M HA -0.196 4.284 4.480 -0.000 0.000 0.262 444 M C 2.202 178.507 176.300 0.007 0.000 1.065 444 M CA 1.863 57.181 55.300 0.030 0.000 1.114 444 M CB -0.086 32.525 32.600 0.018 0.000 1.361 444 M HN 0.116 nan 8.290 nan 0.000 0.408 445 T N -0.325 114.242 114.554 0.022 0.000 2.746 445 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 445 T C 1.876 176.476 174.700 -0.167 0.000 1.039 445 T CA 1.671 63.718 62.100 -0.089 0.000 1.142 445 T CB -0.394 68.424 68.868 -0.084 0.000 0.866 445 T HN 0.571 nan 8.240 nan 0.000 0.444 446 S N 1.163 116.857 115.700 -0.010 0.000 2.359 446 S HA -0.200 4.270 4.470 -0.000 0.000 0.223 446 S C 2.160 176.753 174.600 -0.012 0.000 1.039 446 S CA 1.874 60.088 58.200 0.023 0.000 1.042 446 S CB -0.481 62.876 63.200 0.261 0.000 0.915 446 S HN 0.516 nan 8.310 nan 0.000 0.439 447 M N 0.596 120.201 119.600 0.008 0.000 2.149 447 M HA -0.143 4.336 4.480 -0.000 0.000 0.261 447 M C 1.965 178.227 176.300 -0.062 0.000 1.064 447 M CA 2.023 57.310 55.300 -0.022 0.000 1.102 447 M CB -0.329 32.259 32.600 -0.020 0.000 1.369 447 M HN 0.424 nan 8.290 nan 0.000 0.408 448 E N -0.323 119.827 120.200 -0.084 0.000 2.058 448 E HA -0.221 4.128 4.350 -0.000 0.000 0.194 448 E C 2.043 178.561 176.600 -0.136 0.000 0.997 448 E CA 1.848 58.186 56.400 -0.104 0.000 0.801 448 E CB -0.283 29.348 29.700 -0.114 0.000 0.746 448 E HN 0.612 nan 8.360 nan 0.000 0.450 449 C N 0.225 119.411 119.300 -0.189 0.000 2.432 449 C HA -0.110 4.349 4.460 -0.000 0.000 0.277 449 C C 2.955 177.846 174.990 -0.164 0.000 1.249 449 C CA 0.901 59.786 59.018 -0.221 0.000 1.725 449 C CB -0.808 26.733 27.740 -0.332 0.000 2.028 449 C HN 0.400 nan 8.230 nan 0.000 0.477 450 S N 0.210 115.836 115.700 -0.122 0.000 2.368 450 S HA -0.233 4.237 4.470 -0.000 0.000 0.225 450 S C 1.853 176.394 174.600 -0.100 0.000 1.030 450 S CA 1.744 59.883 58.200 -0.102 0.000 0.999 450 S CB -0.470 62.698 63.200 -0.053 0.000 0.844 450 S HN 0.681 nan 8.310 nan 0.000 0.459 451 Q N 1.757 121.505 119.800 -0.087 0.000 2.124 451 Q HA -0.089 4.250 4.340 -0.000 0.000 0.202 451 Q C 1.908 177.858 176.000 -0.082 0.000 0.977 451 Q CA 1.630 57.389 55.803 -0.075 0.000 0.850 451 Q CB -0.275 28.425 28.738 -0.063 0.000 0.901 451 Q HN 0.267 nan 8.270 nan 0.000 0.429 452 K N -0.138 120.203 120.400 -0.099 0.000 2.057 452 K HA -0.030 4.290 4.320 -0.000 0.000 0.207 452 K C 1.817 178.349 176.600 -0.115 0.000 1.049 452 K CA 1.502 57.727 56.287 -0.103 0.000 0.931 452 K CB -0.756 31.673 32.500 -0.119 0.000 0.714 452 K HN 0.280 nan 8.250 nan 0.000 0.440 453 A N -0.007 122.734 122.820 -0.131 0.000 1.908 453 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 453 A C 2.324 179.830 177.584 -0.131 0.000 1.181 453 A CA 1.960 53.910 52.037 -0.145 0.000 0.627 453 A CB -0.861 18.037 19.000 -0.170 0.000 0.818 453 A HN 0.124 nan 8.150 nan 0.000 0.445 454 V N 0.638 120.488 119.914 -0.107 0.000 2.295 454 V HA -0.263 3.856 4.120 -0.000 0.000 0.246 454 V C 2.231 178.273 176.094 -0.087 0.000 1.049 454 V CA 2.375 64.622 62.300 -0.087 0.000 1.024 454 V CB -0.857 30.928 31.823 -0.064 0.000 0.648 454 V HN 0.512 nan 8.190 nan 0.000 0.447 455 D N 0.095 120.450 120.400 -0.075 0.000 2.097 455 D HA -0.135 4.505 4.640 -0.000 0.000 0.195 455 D C 2.154 178.386 176.300 -0.113 0.000 0.989 455 D CA 1.295 55.260 54.000 -0.058 0.000 0.827 455 D CB -0.344 40.436 40.800 -0.034 0.000 0.966 455 D HN 0.333 nan 8.370 nan 0.000 0.456 456 L N 0.672 121.816 121.223 -0.133 0.000 1.994 456 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 456 L C 2.580 179.312 176.870 -0.230 0.000 1.071 456 L CA 1.327 56.063 54.840 -0.172 0.000 0.745 456 L CB -0.518 41.445 42.059 -0.160 0.000 0.892 456 L HN -0.023 nan 8.230 nan 0.000 0.431 457 A N -0.509 122.183 122.820 -0.214 0.000 1.902 457 A HA -0.208 4.111 4.320 -0.000 0.000 0.217 457 A C 2.372 179.800 177.584 -0.260 0.000 1.181 457 A CA 2.398 54.297 52.037 -0.231 0.000 0.623 457 A CB -0.966 17.930 19.000 -0.174 0.000 0.818 457 A HN 0.410 nan 8.150 nan 0.000 0.443 458 T N -0.581 113.824 114.554 -0.248 0.000 2.708 458 T HA -0.158 4.191 4.350 -0.000 0.000 0.266 458 T C 1.878 176.204 174.700 -0.623 0.000 1.037 458 T CA 1.538 63.454 62.100 -0.306 0.000 1.146 458 T CB -0.242 68.537 68.868 -0.150 0.000 0.865 458 T HN 0.729 nan 8.240 nan 0.000 0.435 459 E N 0.969 120.746 120.200 -0.705 0.000 2.110 459 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 459 E C 2.345 178.565 176.600 -0.632 0.000 0.988 459 E CA 0.974 56.743 56.400 -1.052 0.000 0.804 459 E CB -0.219 29.163 29.700 -0.531 0.000 0.745 459 E HN 0.473 nan 8.360 nan 0.000 0.458 460 A N 0.596 123.179 122.820 -0.394 0.000 1.978 460 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 460 A C 2.272 179.820 177.584 -0.060 0.000 1.170 460 A CA 1.930 53.841 52.037 -0.209 0.000 0.636 460 A CB -0.865 17.922 19.000 -0.356 0.000 0.810 460 A HN 0.456 nan 8.150 nan 0.000 0.448 461 T N -4.334 110.064 114.554 -0.260 0.000 3.235 461 T HA 0.248 4.598 4.350 -0.000 0.000 0.251 461 T C 0.247 174.762 174.700 -0.308 0.000 1.060 461 T CA 0.588 62.463 62.100 -0.375 0.000 0.949 461 T CB -0.158 68.146 68.868 -0.940 0.000 1.020 461 T HN 0.355 nan 8.240 nan 0.000 0.564 462 D N 0.693 120.916 120.400 -0.295 0.000 2.983 462 D HA -0.246 4.394 4.640 -0.000 0.000 0.225 462 D C 0.050 176.394 176.300 0.073 0.000 1.174 462 D CA 1.073 54.997 54.000 -0.127 0.000 0.831 462 D CB -1.804 39.019 40.800 0.039 0.000 1.104 462 D HN 0.665 nan 8.370 nan 0.000 0.421 463 F N -4.418 115.465 119.950 -0.111 0.000 2.628 463 F HA -0.221 4.306 4.527 -0.000 0.000 0.319 463 F C 1.895 177.628 175.800 -0.111 0.000 0.645 463 F CA 0.666 58.606 58.000 -0.101 0.000 1.499 463 F CB -1.709 37.262 39.000 -0.048 0.000 1.900 463 F HN 0.162 nan 8.300 nan 0.000 0.308 464 G N 1.091 109.828 108.800 -0.105 0.000 2.432 464 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.219 464 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.219 464 G C 1.365 176.213 174.900 -0.086 0.000 1.135 464 G CA 1.109 46.177 45.100 -0.054 0.000 0.767 464 G HN 0.727 nan 8.290 nan 0.000 0.550 465 I N -1.953 118.469 120.570 -0.245 0.000 3.793 465 I HA 0.506 4.676 4.170 -0.000 0.000 0.315 465 I C 2.421 178.524 176.117 -0.024 0.000 1.275 465 I CA 0.505 61.742 61.300 -0.105 0.000 1.214 465 I CB 0.101 38.011 38.000 -0.149 0.000 1.018 465 I HN 0.056 nan 8.210 nan 0.000 0.439 466 A N 2.762 125.589 122.820 0.012 0.000 1.908 466 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 466 A C 0.272 177.879 177.584 0.038 0.000 1.181 466 A CA 1.825 53.893 52.037 0.051 0.000 0.627 466 A CB -1.913 17.158 19.000 0.119 0.000 0.818 466 A HN 0.423 nan 8.150 nan 0.000 0.445 467 P HA -0.052 nan 4.420 nan 0.000 0.217 467 P C 1.574 178.894 177.300 0.034 0.000 1.150 467 P CA 1.693 64.816 63.100 0.037 0.000 0.832 467 P CB -0.119 31.609 31.700 0.046 0.000 0.787 468 A N -0.838 122.006 122.820 0.039 0.000 2.015 468 A HA -0.070 4.249 4.320 -0.000 0.000 0.219 468 A C 1.954 179.556 177.584 0.030 0.000 1.163 468 A CA 1.161 53.222 52.037 0.040 0.000 0.646 468 A CB -1.376 17.657 19.000 0.054 0.000 0.806 468 A HN 0.168 nan 8.150 nan 0.000 0.448 469 L N -1.278 119.957 121.223 0.021 0.000 2.607 469 L HA 0.177 4.517 4.340 -0.000 0.000 0.228 469 L C 2.463 179.337 176.870 0.006 0.000 1.123 469 L CA 0.415 55.262 54.840 0.012 0.000 0.890 469 L CB 0.052 42.113 42.059 0.004 0.000 1.103 469 L HN 0.363 nan 8.230 nan 0.000 0.468 470 A N 0.254 123.080 122.820 0.009 0.000 1.970 470 A HA 0.164 4.484 4.320 -0.000 0.000 0.216 470 A C 1.654 179.238 177.584 0.000 0.000 1.170 470 A CA 1.010 53.050 52.037 0.005 0.000 0.645 470 A CB -0.574 18.430 19.000 0.008 0.000 0.816 470 A HN 0.357 nan 8.150 nan 0.000 0.447 471 G N -0.622 108.179 108.800 0.002 0.000 2.485 471 G HA2 0.313 4.273 3.960 -0.000 0.000 0.260 471 G HA3 0.313 4.273 3.960 -0.000 0.000 0.260 471 G C -0.643 174.254 174.900 -0.006 0.000 1.459 471 G CA 0.085 45.184 45.100 -0.002 0.000 1.060 471 G HN 0.202 nan 8.290 nan 0.000 0.546 472 D N -0.600 119.796 120.400 -0.007 0.000 2.371 472 D HA 0.031 4.671 4.640 -0.000 0.000 0.256 472 D C 1.359 177.656 176.300 -0.004 0.000 1.193 472 D CA -0.559 53.437 54.000 -0.007 0.000 0.881 472 D CB 1.066 41.860 40.800 -0.010 0.000 1.143 472 D HN 0.055 nan 8.370 nan 0.000 0.473 473 I N 4.548 125.117 120.570 -0.001 0.000 2.454 473 I HA -0.207 3.963 4.170 -0.000 0.000 0.254 473 I C 1.828 177.964 176.117 0.031 0.000 1.156 473 I CA 1.472 62.767 61.300 -0.008 0.000 1.433 473 I CB -0.015 37.960 38.000 -0.040 0.000 1.082 473 I HN 0.397 nan 8.210 nan 0.000 0.432 474 K N -0.057 120.377 120.400 0.057 0.000 2.362 474 K HA -0.125 4.195 4.320 -0.000 0.000 0.200 474 K C 1.933 178.520 176.600 -0.022 0.000 1.046 474 K CA 0.800 57.105 56.287 0.030 0.000 0.952 474 K CB -0.018 32.452 32.500 -0.050 0.000 0.753 474 K HN 0.387 nan 8.250 nan 0.000 0.466 475 K N 0.371 120.760 120.400 -0.018 0.000 2.128 475 K HA -0.014 4.306 4.320 -0.000 0.000 0.202 475 K C 1.961 178.547 176.600 -0.024 0.000 1.050 475 K CA 0.355 56.629 56.287 -0.023 0.000 0.966 475 K CB 0.012 32.503 32.500 -0.014 0.000 0.759 475 K HN -0.027 nan 8.250 nan 0.000 0.454 476 L N 0.774 121.983 121.223 -0.023 0.000 2.109 476 L HA -0.023 4.317 4.340 -0.000 0.000 0.207 476 L C 0.320 177.150 176.870 -0.067 0.000 1.086 476 L CA 1.414 56.242 54.840 -0.020 0.000 0.760 476 L CB 0.496 42.552 42.059 -0.004 0.000 0.910 476 L HN -0.202 nan 8.230 nan 0.000 0.437 477 V N 1.257 121.092 119.914 -0.132 0.000 2.383 477 V HA 0.352 4.471 4.120 -0.000 0.000 0.264 477 V C -2.392 173.600 176.094 -0.170 0.000 1.001 477 V CA -1.476 60.632 62.300 -0.321 0.000 0.828 477 V CB 0.600 32.021 31.823 -0.669 0.000 1.069 477 V HN 0.082 nan 8.190 nan 0.000 0.451 478 P HA 0.212 nan 4.420 nan 0.000 0.268 478 P C -2.589 174.652 177.300 -0.099 0.000 1.204 478 P CA -1.167 61.874 63.100 -0.099 0.000 0.768 478 P CB -0.024 31.630 31.700 -0.077 0.000 0.842 479 P HA 0.045 nan 4.420 nan 0.000 0.264 479 P C -0.246 177.011 177.300 -0.071 0.000 1.183 479 P CA 0.643 63.592 63.100 -0.252 0.000 0.763 479 P CB 0.137 31.551 31.700 -0.478 0.000 0.807 480 I N 4.065 124.649 120.570 0.023 0.000 2.308 480 I HA 0.032 4.202 4.170 -0.000 0.000 0.293 480 I C 1.553 177.727 176.117 0.095 0.000 1.078 480 I CA -0.259 61.088 61.300 0.079 0.000 1.292 480 I CB 0.775 38.859 38.000 0.140 0.000 1.423 480 I HN 0.356 nan 8.210 nan 0.000 0.493 481 L N 5.631 126.909 121.223 0.091 0.000 2.095 481 L HA 0.105 4.445 4.340 -0.000 0.000 0.204 481 L C 0.797 177.759 176.870 0.154 0.000 1.080 481 L CA 1.970 56.876 54.840 0.109 0.000 0.759 481 L CB 0.118 42.232 42.059 0.091 0.000 0.914 481 L HN 0.495 nan 8.230 nan 0.000 0.439 482 T N 0.753 115.420 114.554 0.188 0.000 2.848 482 T HA 0.610 4.960 4.350 -0.000 0.000 0.285 482 T C -1.446 173.428 174.700 0.290 0.000 0.995 482 T CA -0.251 61.968 62.100 0.199 0.000 0.970 482 T CB 1.963 70.939 68.868 0.180 0.000 0.976 482 T HN 0.052 nan 8.240 nan 0.000 0.441 483 L N 3.356 124.702 121.223 0.205 0.000 2.705 483 L HA 0.672 5.011 4.340 -0.000 0.000 0.260 483 L C -0.892 176.094 176.870 0.192 0.000 0.921 483 L CA -0.112 54.884 54.840 0.260 0.000 0.948 483 L CB 1.651 43.900 42.059 0.318 0.000 1.427 483 L HN 0.785 nan 8.230 nan 0.000 0.432 484 S N 3.364 119.119 115.700 0.092 0.000 2.651 484 S HA 0.642 5.111 4.470 -0.000 0.000 0.279 484 S C 0.695 175.182 174.600 -0.189 0.000 1.148 484 S CA -0.847 57.359 58.200 0.010 0.000 0.837 484 S CB 2.079 65.210 63.200 -0.115 0.000 1.138 484 S HN 0.711 nan 8.310 nan 0.000 0.478 485 R N 0.311 120.447 120.500 -0.607 0.000 2.127 485 R HA -0.082 4.257 4.340 -0.000 0.000 0.238 485 R C 1.900 177.788 176.300 -0.687 0.000 1.134 485 R CA 1.663 57.278 56.100 -0.808 0.000 0.975 485 R CB -0.392 29.379 30.300 -0.882 0.000 0.865 485 R HN 0.675 nan 8.270 nan 0.000 0.447 486 K N 1.167 121.151 120.400 -0.693 0.000 2.031 486 K HA -0.060 4.259 4.320 -0.000 0.000 0.205 486 K C 1.852 178.233 176.600 -0.365 0.000 1.049 486 K CA 1.201 57.123 56.287 -0.608 0.000 0.939 486 K CB -0.249 32.028 32.500 -0.372 0.000 0.717 486 K HN 0.067 nan 8.250 nan 0.000 0.438 487 L N 0.609 121.616 121.223 -0.361 0.000 2.083 487 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 487 L C 2.564 179.330 176.870 -0.174 0.000 1.083 487 L CA 1.307 55.863 54.840 -0.473 0.000 0.752 487 L CB -0.353 41.095 42.059 -1.018 0.000 0.899 487 L HN 0.392 nan 8.230 nan 0.000 0.433 488 Q N -0.085 119.684 119.800 -0.051 0.000 2.541 488 Q HA -0.184 4.156 4.340 -0.000 0.000 0.215 488 Q C 1.720 177.742 176.000 0.037 0.000 0.977 488 Q CA 0.656 56.526 55.803 0.112 0.000 0.934 488 Q CB 0.167 28.995 28.738 0.152 0.000 0.988 488 Q HN 0.581 nan 8.270 nan 0.000 0.521 489 Q N -0.357 119.412 119.800 -0.051 0.000 2.424 489 Q HA -0.022 4.318 4.340 -0.000 0.000 0.204 489 Q C -0.298 175.709 176.000 0.011 0.000 0.933 489 Q CA 0.171 55.946 55.803 -0.046 0.000 0.929 489 Q CB 0.540 29.211 28.738 -0.112 0.000 1.037 489 Q HN 0.115 nan 8.270 nan 0.000 0.511 490 D N 0.220 120.655 120.400 0.059 0.000 2.472 490 D HA 0.147 4.787 4.640 -0.000 0.000 0.234 490 D C -2.057 174.338 176.300 0.158 0.000 1.088 490 D CA -2.404 51.655 54.000 0.099 0.000 0.882 490 D CB 1.486 42.342 40.800 0.093 0.000 1.037 490 D HN -0.191 nan 8.370 nan 0.000 0.520 491 P HA -0.187 nan 4.420 nan 0.000 0.218 491 P C 1.085 178.432 177.300 0.079 0.000 1.154 491 P CA 1.112 64.261 63.100 0.081 0.000 0.872 491 P CB 0.431 32.164 31.700 0.054 0.000 0.790 492 E N -1.745 118.509 120.200 0.089 0.000 2.150 492 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 492 E C 1.866 178.521 176.600 0.092 0.000 0.985 492 E CA 0.811 57.256 56.400 0.075 0.000 0.814 492 E CB -0.841 28.903 29.700 0.074 0.000 0.752 492 E HN 0.339 nan 8.360 nan 0.000 0.466 493 F N 1.514 121.479 119.950 0.025 0.000 2.113 493 F HA -0.114 4.413 4.527 -0.000 0.000 0.297 493 F C 2.059 177.883 175.800 0.041 0.000 1.103 493 F CA 1.065 59.084 58.000 0.030 0.000 1.248 493 F CB -0.377 38.639 39.000 0.026 0.000 0.999 493 F HN -0.108 nan 8.300 nan 0.000 0.475 494 L N 0.408 121.511 121.223 -0.201 0.000 2.187 494 L HA -0.223 4.117 4.340 -0.000 0.000 0.213 494 L C 2.246 178.985 176.870 -0.219 0.000 1.100 494 L CA 1.477 56.155 54.840 -0.270 0.000 0.765 494 L CB -0.747 41.313 42.059 0.002 0.000 0.904 494 L HN 0.157 nan 8.230 nan 0.000 0.437 495 K N -0.484 119.838 120.400 -0.130 0.000 2.365 495 K HA -0.108 4.211 4.320 -0.000 0.000 0.199 495 K C 1.888 178.430 176.600 -0.096 0.000 1.045 495 K CA 0.458 56.700 56.287 -0.074 0.000 0.962 495 K CB 0.045 32.529 32.500 -0.027 0.000 0.759 495 K HN 0.274 nan 8.250 nan 0.000 0.469 496 Q N 0.540 120.233 119.800 -0.178 0.000 2.437 496 Q HA -0.022 4.318 4.340 -0.000 0.000 0.210 496 Q C 0.209 176.142 176.000 -0.111 0.000 0.972 496 Q CA 0.702 56.422 55.803 -0.138 0.000 0.903 496 Q CB -0.150 28.492 28.738 -0.158 0.000 0.967 496 Q HN 0.266 nan 8.270 nan 0.000 0.486 497 N N -0.593 118.038 118.700 -0.116 0.000 2.369 497 N HA 0.120 4.860 4.740 -0.000 0.000 0.287 497 N C -2.491 173.038 175.510 0.032 0.000 1.067 497 N CA -1.671 51.353 53.050 -0.044 0.000 0.888 497 N CB 2.287 40.742 38.487 -0.053 0.000 1.616 497 N HN -0.326 nan 8.380 nan 0.000 0.482 498 P HA -0.049 nan 4.420 nan 0.000 0.218 498 P C 0.710 178.222 177.300 0.353 0.000 1.146 498 P CA 1.218 64.424 63.100 0.177 0.000 0.813 498 P CB 0.159 31.964 31.700 0.175 0.000 0.778 499 W N -0.212 121.097 121.300 0.015 0.000 2.588 499 W HA 0.052 4.712 4.660 -0.001 0.000 0.277 499 W C 2.346 178.872 176.519 0.011 0.000 1.221 499 W CA 1.476 58.840 57.345 0.031 0.000 1.355 499 W CB -1.748 27.747 29.460 0.059 0.000 1.083 499 W HN 0.002 nan 8.180 nan 0.000 0.581 500 T N -1.672 112.996 114.554 0.189 0.000 2.915 500 T HA -0.155 4.195 4.350 -0.000 0.000 0.269 500 T C 1.818 176.539 174.700 0.035 0.000 1.071 500 T CA 0.994 63.138 62.100 0.073 0.000 1.132 500 T CB -0.318 68.515 68.868 -0.059 0.000 0.878 500 T HN 0.095 nan 8.240 nan 0.000 0.479 501 R N 0.630 121.153 120.500 0.039 0.000 2.241 501 R HA 0.132 4.472 4.340 -0.000 0.000 0.224 501 R C 1.735 178.054 176.300 0.032 0.000 1.101 501 R CA 0.688 56.804 56.100 0.026 0.000 0.995 501 R CB -0.421 29.902 30.300 0.038 0.000 0.870 501 R HN 0.466 nan 8.270 nan 0.000 0.463 502 L N 0.623 121.866 121.223 0.033 0.000 2.591 502 L HA 0.140 4.480 4.340 -0.000 0.000 0.228 502 L C 0.334 177.206 176.870 0.002 0.000 1.133 502 L CA -0.080 54.758 54.840 -0.003 0.000 0.880 502 L CB 0.071 42.089 42.059 -0.069 0.000 1.033 502 L HN 0.065 nan 8.230 nan 0.000 0.450 503 L N 0.564 121.803 121.223 0.027 0.000 2.379 503 L HA 0.367 4.706 4.340 -0.000 0.000 0.269 503 L C -2.075 174.824 176.870 0.049 0.000 1.084 503 L CA -1.957 52.908 54.840 0.042 0.000 0.802 503 L CB 0.516 42.618 42.059 0.072 0.000 1.175 503 L HN -0.173 nan 8.230 nan 0.000 0.448 504 P HA 0.234 nan 4.420 nan 0.000 0.282 504 P C -0.948 176.389 177.300 0.063 0.000 1.249 504 P CA -0.545 62.585 63.100 0.051 0.000 0.806 504 P CB 1.008 32.736 31.700 0.047 0.000 0.984 505 A N 3.529 126.382 122.820 0.055 0.000 2.450 505 A HA 0.300 4.619 4.320 -0.000 0.000 0.255 505 A C 0.208 177.816 177.584 0.040 0.000 1.096 505 A CA -0.263 51.808 52.037 0.056 0.000 0.778 505 A CB -0.579 18.451 19.000 0.049 0.000 1.031 505 A HN 0.539 nan 8.150 nan 0.000 0.494 506 L N 3.221 124.461 121.223 0.027 0.000 2.418 506 L HA 0.317 4.657 4.340 -0.000 0.000 0.265 506 L C -1.914 174.952 176.870 -0.006 0.000 1.143 506 L CA -1.929 52.913 54.840 0.004 0.000 0.809 506 L CB 0.670 42.709 42.059 -0.033 0.000 1.124 506 L HN 0.457 nan 8.230 nan 0.000 0.456 507 P HA -0.016 nan 4.420 nan 0.000 0.266 507 P C -0.854 176.443 177.300 -0.006 0.000 1.195 507 P CA -0.263 62.840 63.100 0.005 0.000 0.768 507 P CB 0.384 32.093 31.700 0.015 0.000 0.838 508 K N 2.359 122.760 120.400 0.001 0.000 2.472 508 K HA 0.419 4.739 4.320 -0.000 0.000 0.280 508 K C -0.532 176.080 176.600 0.019 0.000 1.028 508 K CA 0.452 56.739 56.287 0.001 0.000 1.045 508 K CB -0.471 32.033 32.500 0.008 0.000 0.902 508 K HN 0.551 nan 8.250 nan 0.000 0.478 509 A N 4.066 126.908 122.820 0.035 0.000 2.566 509 A HA 0.352 4.672 4.320 -0.000 0.000 0.297 509 A C -1.282 176.403 177.584 0.168 0.000 1.059 509 A CA -1.050 51.040 52.037 0.088 0.000 0.691 509 A CB 0.723 19.787 19.000 0.106 0.000 1.282 509 A HN 0.790 nan 8.150 nan 0.000 0.401 510 E N 1.602 121.878 120.200 0.127 0.000 2.349 510 E HA 0.367 4.717 4.350 -0.000 0.000 0.265 510 E C -0.069 176.592 176.600 0.101 0.000 1.064 510 E CA -0.699 55.775 56.400 0.123 0.000 0.886 510 E CB 0.795 30.517 29.700 0.037 0.000 1.036 510 E HN 0.643 nan 8.360 nan 0.000 0.413 511 Q N 1.256 121.046 119.800 -0.017 0.000 2.311 511 Q HA 0.052 4.392 4.340 -0.000 0.000 0.272 511 Q C -0.029 175.799 176.000 -0.287 0.000 1.012 511 Q CA -0.163 55.370 55.803 -0.450 0.000 0.891 511 Q CB 1.050 29.494 28.738 -0.489 0.000 1.201 511 Q HN 0.593 nan 8.270 nan 0.000 0.391 512 V N 4.078 123.804 119.914 -0.314 0.000 3.523 512 V HA 0.119 4.239 4.120 -0.000 0.000 0.255 512 V C -0.390 175.512 176.094 -0.320 0.000 1.226 512 V CA 0.112 62.252 62.300 -0.268 0.000 1.092 512 V CB 0.177 31.857 31.823 -0.238 0.000 0.817 512 V HN 0.676 nan 8.190 nan 0.000 0.458 513 W N 0.172 121.330 121.300 -0.236 0.000 2.702 513 W HA 0.621 5.281 4.660 -0.000 0.000 0.331 513 W C -0.162 176.251 176.519 -0.177 0.000 1.049 513 W CA -0.347 56.898 57.345 -0.166 0.000 1.230 513 W CB 1.584 30.957 29.460 -0.146 0.000 1.408 513 W HN -0.118 nan 8.180 nan 0.000 0.492 514 E N 2.905 123.221 120.200 0.195 0.000 2.283 514 E HA 0.477 4.826 4.350 -0.000 0.000 0.258 514 E C 0.708 177.395 176.600 0.145 0.000 0.893 514 E CA 0.235 56.694 56.400 0.097 0.000 0.798 514 E CB 0.838 30.557 29.700 0.032 0.000 1.242 514 E HN 0.637 nan 8.360 nan 0.000 0.414 515 G N 3.869 112.732 108.800 0.104 0.000 2.596 515 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.304 515 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.304 515 G C 0.670 175.676 174.900 0.176 0.000 1.189 515 G CA 0.721 45.886 45.100 0.108 0.000 0.986 515 G HN 0.612 nan 8.290 nan 0.000 0.548 516 Q N 0.881 120.816 119.800 0.224 0.000 2.319 516 Q HA 0.176 4.516 4.340 -0.000 0.000 0.209 516 Q C -0.344 175.932 176.000 0.460 0.000 0.884 516 Q CA 0.148 56.145 55.803 0.323 0.000 0.938 516 Q CB 0.473 29.357 28.738 0.243 0.000 1.098 516 Q HN 0.570 nan 8.270 nan 0.000 0.517 517 D N 1.470 122.051 120.400 0.302 0.000 2.308 517 D HA 0.117 4.757 4.640 -0.000 0.000 0.251 517 D C 0.170 176.490 176.300 0.032 0.000 1.127 517 D CA 0.050 54.142 54.000 0.154 0.000 0.876 517 D CB 0.883 41.730 40.800 0.079 0.000 1.176 517 D HN -0.139 nan 8.370 nan 0.000 0.446 518 R N 0.732 121.109 120.500 -0.204 0.000 2.577 518 R HA 0.732 5.072 4.340 -0.000 0.000 0.269 518 R C -0.107 176.038 176.300 -0.259 0.000 1.084 518 R CA -0.463 55.352 56.100 -0.475 0.000 1.163 518 R CB 1.114 31.076 30.300 -0.562 0.000 1.100 518 R HN 0.560 nan 8.270 nan 0.000 0.547 519 A N 0.000 122.655 122.820 -0.276 0.000 2.254 519 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 519 A CA 0.000 51.935 52.037 -0.170 0.000 0.836 519 A CB 0.000 18.919 19.000 -0.135 0.000 0.831 519 A HN 0.000 nan 8.150 nan 0.000 0.486