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 3gu0_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEVKELERDK NRVVLEYVFG AEEIAQAEDK AVRYLNQRVE IPGFRKGRIP DATA SEQUENCE KNVLKMKLGE EFQEYTLDFL MDLIPDTLKD RKLILSPIVT ERELKDVTAR DATA SEQUENCE VVVEVHEEPE VRIGDISKIE VEKVDEEKVL EKYVERRIED LRESHALLEP DATA SEQUENCE KEGPAEAGDL VRVNMEVYNE EGKKLTSREY EYVISEDEDR PFVKDLVGKK DATA SEQUENCE KGDVVEIERE YEGKKYTYKL EVEEVYKRTL PEIGDELAKS VNNEFETLEQ DATA SEQUENCE LKESLKKEGK EIYDVEMKES MREQLLEKLP EIVEIEISDR TLEILVNEAI DATA SEQUENCE NRLKREGRYE QIVSSYESEE KFREELKERI LDDIKRDRVI EVLAQEKGIS DATA SEQUENCE VNDEELEKEA EELAPFWGIS PDRAKSLVKA RQDLREELRW AILKRKVLDL DATA SEQUENCE LLQEVE 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.294 176.300 -0.010 0.000 1.140 1 M CA 0.000 55.365 55.300 0.108 0.000 0.988 1 M CB 0.000 32.747 32.600 0.244 0.000 1.302 2 E N 1.425 121.554 120.200 -0.118 0.000 2.199 2 E HA 0.549 4.893 4.350 -0.010 0.000 0.265 2 E C -0.480 175.949 176.600 -0.286 0.000 0.882 2 E CA -0.921 55.388 56.400 -0.151 0.000 0.759 2 E CB 3.212 32.844 29.700 -0.113 0.000 1.148 2 E HN 0.274 nan 8.360 nan 0.000 0.412 3 V N 3.573 123.284 119.914 -0.337 0.000 2.389 3 V HA 0.183 4.297 4.120 -0.010 0.000 0.264 3 V C -0.490 175.408 176.094 -0.326 0.000 1.049 3 V CA -0.095 61.879 62.300 -0.545 0.000 0.932 3 V CB 0.626 32.090 31.823 -0.599 0.000 1.011 3 V HN 0.672 nan 8.190 nan 0.000 0.475 4 K N 5.945 126.165 120.400 -0.300 0.000 2.449 4 K HA 0.281 4.595 4.320 -0.010 0.000 0.257 4 K C 0.069 176.577 176.600 -0.153 0.000 0.989 4 K CA -0.456 55.723 56.287 -0.180 0.000 0.916 4 K CB 1.030 33.449 32.500 -0.136 0.000 1.136 4 K HN 0.909 nan 8.250 nan 0.000 0.439 5 E N 6.073 126.201 120.200 -0.121 0.000 2.311 5 E HA -0.100 4.244 4.350 -0.010 0.000 0.247 5 E C 0.649 177.211 176.600 -0.064 0.000 1.215 5 E CA -0.063 56.288 56.400 -0.081 0.000 0.957 5 E CB 0.286 29.948 29.700 -0.063 0.000 1.020 5 E HN 0.679 nan 8.360 nan 0.000 0.461 6 L N 3.817 125.006 121.223 -0.055 0.000 2.005 6 L HA -0.062 4.272 4.340 -0.010 0.000 0.207 6 L C 0.401 177.250 176.870 -0.035 0.000 1.072 6 L CA 1.465 56.279 54.840 -0.043 0.000 0.744 6 L CB 0.227 42.266 42.059 -0.033 0.000 0.895 6 L HN 0.550 nan 8.230 nan 0.000 0.433 7 E N -1.482 118.699 120.200 -0.032 0.000 2.366 7 E HA 0.353 4.697 4.350 -0.010 0.000 0.278 7 E C -1.214 175.363 176.600 -0.038 0.000 0.923 7 E CA -0.710 55.671 56.400 -0.032 0.000 0.761 7 E CB 2.320 32.004 29.700 -0.027 0.000 1.231 7 E HN -0.002 nan 8.360 nan 0.000 0.443 8 R N 1.357 121.833 120.500 -0.039 0.000 2.589 8 R HA 0.359 4.693 4.340 -0.010 0.000 0.293 8 R C -1.405 174.865 176.300 -0.050 0.000 0.963 8 R CA -0.450 55.622 56.100 -0.047 0.000 0.905 8 R CB 1.082 31.358 30.300 -0.040 0.000 1.144 8 R HN 0.393 nan 8.270 nan 0.000 0.459 9 D N 3.951 124.311 120.400 -0.067 0.000 2.400 9 D HA 0.227 4.861 4.640 -0.010 0.000 0.272 9 D C -0.373 175.888 176.300 -0.064 0.000 1.220 9 D CA -0.228 53.734 54.000 -0.062 0.000 0.897 9 D CB 0.296 41.052 40.800 -0.074 0.000 1.134 9 D HN 0.588 nan 8.370 nan 0.000 0.507 10 K N 1.431 121.804 120.400 -0.045 0.000 2.554 10 K HA -0.236 4.078 4.320 -0.010 0.000 0.167 10 K C -0.151 176.422 176.600 -0.045 0.000 0.814 10 K CA 1.153 57.418 56.287 -0.037 0.000 0.416 10 K CB -1.228 31.255 32.500 -0.029 0.000 0.752 10 K HN 0.443 nan 8.250 nan 0.000 0.770 11 N N 2.637 121.308 118.700 -0.049 0.000 3.228 11 N HA 0.153 4.887 4.740 -0.010 0.000 0.289 11 N C -0.625 174.824 175.510 -0.102 0.000 1.419 11 N CA 0.017 53.036 53.050 -0.051 0.000 1.088 11 N CB 0.560 39.033 38.487 -0.023 0.000 1.357 11 N HN 0.325 nan 8.380 nan 0.000 0.504 12 R N 0.187 120.597 120.500 -0.151 0.000 3.179 12 R HA 0.055 4.389 4.340 -0.010 0.000 0.288 12 R C -1.718 174.463 176.300 -0.198 0.000 1.263 12 R CA -0.330 55.590 56.100 -0.300 0.000 1.013 12 R CB -0.138 29.858 30.300 -0.507 0.000 1.379 12 R HN 0.008 nan 8.270 nan 0.000 0.367 13 V N 1.046 120.883 119.914 -0.129 0.000 2.539 13 V HA 0.706 4.820 4.120 -0.010 0.000 0.292 13 V C 0.116 176.180 176.094 -0.048 0.000 1.045 13 V CA -0.714 61.543 62.300 -0.072 0.000 0.945 13 V CB 1.757 33.558 31.823 -0.037 0.000 0.993 13 V HN 0.267 nan 8.190 nan 0.000 0.464 14 V N 5.504 125.400 119.914 -0.030 0.000 2.398 14 V HA 0.513 4.627 4.120 -0.010 0.000 0.286 14 V C -0.113 175.988 176.094 0.011 0.000 1.026 14 V CA -0.362 61.940 62.300 0.004 0.000 0.868 14 V CB 1.232 33.055 31.823 0.000 0.000 0.982 14 V HN 0.782 nan 8.190 nan 0.000 0.443 15 L N 3.887 125.144 121.223 0.057 0.000 2.341 15 L HA 0.629 4.963 4.340 -0.010 0.000 0.278 15 L C -0.101 176.808 176.870 0.064 0.000 1.005 15 L CA -0.539 54.320 54.840 0.032 0.000 0.818 15 L CB 2.059 44.161 42.059 0.071 0.000 1.259 15 L HN 0.593 nan 8.230 nan 0.000 0.418 16 E N 2.310 122.476 120.200 -0.056 0.000 2.046 16 E HA 0.252 4.596 4.350 -0.010 0.000 0.279 16 E C -1.558 174.941 176.600 -0.170 0.000 0.989 16 E CA -0.483 55.886 56.400 -0.051 0.000 0.798 16 E CB 0.591 30.248 29.700 -0.072 0.000 1.086 16 E HN 0.410 nan 8.360 nan 0.000 0.399 17 Y N 3.274 123.450 120.300 -0.206 0.000 2.404 17 Y HA 0.301 4.846 4.550 -0.008 0.000 0.344 17 Y C -0.207 175.288 175.900 -0.675 0.000 0.970 17 Y CA -0.707 57.148 58.100 -0.407 0.000 1.180 17 Y CB 1.202 39.453 38.460 -0.348 0.000 1.138 17 Y HN 0.240 nan 8.280 nan 0.000 0.510 18 V N 5.258 124.833 119.914 -0.564 0.000 2.513 18 V HA 0.404 4.518 4.120 -0.010 0.000 0.299 18 V C -0.830 174.945 176.094 -0.532 0.000 1.035 18 V CA -1.009 61.015 62.300 -0.460 0.000 0.889 18 V CB 1.329 33.034 31.823 -0.196 0.000 0.988 18 V HN 0.408 nan 8.190 nan 0.000 0.440 19 F N 2.563 122.548 119.950 0.058 0.000 2.460 19 F HA 0.686 5.208 4.527 -0.007 0.000 0.341 19 F C 0.912 176.736 175.800 0.040 0.000 1.130 19 F CA -0.757 57.274 58.000 0.053 0.000 0.962 19 F CB 1.414 40.449 39.000 0.059 0.000 1.171 19 F HN 0.598 nan 8.300 nan 0.000 0.436 20 G N 0.994 109.914 108.800 0.199 0.000 2.631 20 G HA2 0.366 4.321 3.960 -0.010 0.000 0.271 20 G HA3 0.366 4.321 3.960 -0.010 0.000 0.271 20 G C 0.949 175.919 174.900 0.116 0.000 1.302 20 G CA -0.037 45.135 45.100 0.120 0.000 1.002 20 G HN 0.828 nan 8.290 nan 0.000 0.519 21 A N -0.955 121.913 122.820 0.080 0.000 1.902 21 A HA -0.028 4.286 4.320 -0.010 0.000 0.217 21 A C 2.092 179.713 177.584 0.062 0.000 1.181 21 A CA 2.048 54.126 52.037 0.067 0.000 0.623 21 A CB -0.553 18.477 19.000 0.050 0.000 0.818 21 A HN 0.766 nan 8.150 nan 0.000 0.443 22 E N -0.275 119.959 120.200 0.057 0.000 2.065 22 E HA -0.263 4.081 4.350 -0.010 0.000 0.201 22 E C 2.013 178.639 176.600 0.044 0.000 1.016 22 E CA 1.880 58.308 56.400 0.046 0.000 0.818 22 E CB -0.190 29.536 29.700 0.044 0.000 0.749 22 E HN 0.788 nan 8.360 nan 0.000 0.453 23 E N 0.265 120.498 120.200 0.055 0.000 2.107 23 E HA -0.112 4.232 4.350 -0.010 0.000 0.191 23 E C 2.131 178.741 176.600 0.017 0.000 0.982 23 E CA 0.571 56.986 56.400 0.025 0.000 0.809 23 E CB -0.057 29.659 29.700 0.026 0.000 0.756 23 E HN 0.262 nan 8.360 nan 0.000 0.459 24 I N 1.490 122.095 120.570 0.058 0.000 2.248 24 I HA -0.338 3.827 4.170 -0.010 0.000 0.248 24 I C 2.482 178.639 176.117 0.067 0.000 1.107 24 I CA 1.168 62.508 61.300 0.067 0.000 1.373 24 I CB -0.315 37.739 38.000 0.090 0.000 1.055 24 I HN 0.125 nan 8.210 nan 0.000 0.418 25 A N 0.008 122.863 122.820 0.058 0.000 1.873 25 A HA -0.234 4.080 4.320 -0.010 0.000 0.215 25 A C 2.239 179.854 177.584 0.051 0.000 1.186 25 A CA 1.360 53.432 52.037 0.058 0.000 0.616 25 A CB -0.617 18.409 19.000 0.044 0.000 0.823 25 A HN 0.418 nan 8.150 nan 0.000 0.442 26 Q N -0.792 119.025 119.800 0.028 0.000 2.234 26 Q HA -0.101 4.233 4.340 -0.010 0.000 0.206 26 Q C 1.996 178.001 176.000 0.008 0.000 0.980 26 Q CA 1.467 57.276 55.803 0.010 0.000 0.869 26 Q CB -0.288 28.444 28.738 -0.010 0.000 0.912 26 Q HN 0.700 nan 8.270 nan 0.000 0.436 27 A N -0.507 122.324 122.820 0.019 0.000 2.220 27 A HA -0.012 4.302 4.320 -0.010 0.000 0.211 27 A C 1.615 179.272 177.584 0.122 0.000 1.176 27 A CA 0.244 52.312 52.037 0.051 0.000 0.834 27 A CB 0.117 19.122 19.000 0.009 0.000 0.868 27 A HN 0.266 nan 8.150 nan 0.000 0.488 28 E N 0.053 120.337 120.200 0.140 0.000 2.014 28 E HA -0.154 4.190 4.350 -0.010 0.000 0.190 28 E C 1.141 177.904 176.600 0.273 0.000 0.980 28 E CA 0.964 57.517 56.400 0.256 0.000 0.807 28 E CB -0.039 29.813 29.700 0.252 0.000 0.770 28 E HN 0.388 nan 8.360 nan 0.000 0.451 29 D N -0.032 120.469 120.400 0.168 0.000 2.371 29 D HA -0.060 4.574 4.640 -0.010 0.000 0.221 29 D C 1.071 177.435 176.300 0.106 0.000 0.986 29 D CA 0.588 54.666 54.000 0.131 0.000 0.899 29 D CB 0.195 41.039 40.800 0.073 0.000 0.902 29 D HN 0.042 nan 8.370 nan 0.000 0.530 30 K N -0.574 119.885 120.400 0.098 0.000 2.404 30 K HA 0.154 4.468 4.320 -0.010 0.000 0.194 30 K C 1.436 178.131 176.600 0.158 0.000 1.023 30 K CA 0.114 56.430 56.287 0.048 0.000 1.094 30 K CB 0.622 33.093 32.500 -0.048 0.000 0.841 30 K HN -0.031 nan 8.250 nan 0.000 0.523 31 A N 0.138 123.110 122.820 0.253 0.000 2.085 31 A HA 0.040 4.354 4.320 -0.010 0.000 0.208 31 A C 1.915 179.619 177.584 0.198 0.000 1.191 31 A CA 0.147 52.360 52.037 0.293 0.000 0.799 31 A CB 0.144 19.159 19.000 0.026 0.000 0.877 31 A HN 0.026 nan 8.150 nan 0.000 0.473 32 V N 0.353 120.407 119.914 0.232 0.000 2.626 32 V HA -0.196 3.918 4.120 -0.010 0.000 0.252 32 V C 2.510 178.678 176.094 0.122 0.000 1.067 32 V CA 2.065 64.488 62.300 0.204 0.000 1.081 32 V CB -0.810 31.124 31.823 0.186 0.000 0.686 32 V HN 0.583 nan 8.190 nan 0.000 0.468 33 R N -0.906 119.672 120.500 0.129 0.000 2.070 33 R HA -0.199 4.135 4.340 -0.010 0.000 0.233 33 R C 2.395 178.770 176.300 0.125 0.000 1.137 33 R CA 2.145 58.304 56.100 0.098 0.000 0.945 33 R CB -0.398 29.948 30.300 0.077 0.000 0.845 33 R HN 0.569 nan 8.270 nan 0.000 0.430 34 Y N 0.857 121.200 120.300 0.071 0.000 2.163 34 Y HA -0.154 4.390 4.550 -0.009 0.000 0.288 34 Y C 2.056 177.984 175.900 0.045 0.000 1.136 34 Y CA 1.515 59.678 58.100 0.105 0.000 1.147 34 Y CB -0.222 38.426 38.460 0.313 0.000 0.987 34 Y HN 0.046 nan 8.280 nan 0.000 0.509 35 L N 0.231 121.543 121.223 0.148 0.000 2.017 35 L HA -0.290 4.044 4.340 -0.010 0.000 0.208 35 L C 2.431 179.258 176.870 -0.073 0.000 1.073 35 L CA 1.552 56.361 54.840 -0.052 0.000 0.745 35 L CB -0.656 41.307 42.059 -0.161 0.000 0.894 35 L HN 0.301 nan 8.230 nan 0.000 0.432 36 N N -0.203 118.480 118.700 -0.028 0.000 2.094 36 N HA -0.243 4.491 4.740 -0.010 0.000 0.191 36 N C 1.750 177.229 175.510 -0.051 0.000 1.023 36 N CA 1.431 54.461 53.050 -0.034 0.000 0.857 36 N CB -0.040 38.441 38.487 -0.010 0.000 1.013 36 N HN 0.448 nan 8.380 nan 0.000 0.426 37 Q N -0.186 119.568 119.800 -0.076 0.000 2.436 37 Q HA 0.030 4.365 4.340 -0.010 0.000 0.209 37 Q C 1.562 177.485 176.000 -0.127 0.000 0.965 37 Q CA 0.453 56.197 55.803 -0.098 0.000 0.910 37 Q CB 0.248 28.914 28.738 -0.120 0.000 0.980 37 Q HN 0.378 nan 8.270 nan 0.000 0.491 38 R N -0.537 119.877 120.500 -0.144 0.000 2.156 38 R HA 0.113 4.447 4.340 -0.010 0.000 0.207 38 R C 0.584 176.844 176.300 -0.066 0.000 1.040 38 R CA 0.185 56.215 56.100 -0.117 0.000 1.013 38 R CB 0.556 30.780 30.300 -0.126 0.000 0.931 38 R HN -0.047 nan 8.270 nan 0.000 0.465 39 V N 1.789 121.666 119.914 -0.062 0.000 2.785 39 V HA 0.143 4.258 4.120 -0.010 0.000 0.300 39 V C -0.229 175.853 176.094 -0.019 0.000 1.062 39 V CA -0.223 62.053 62.300 -0.040 0.000 1.029 39 V CB 1.584 33.375 31.823 -0.053 0.000 1.024 39 V HN 0.181 nan 8.190 nan 0.000 0.477 40 E N 3.922 124.121 120.200 -0.002 0.000 2.409 40 E HA 0.502 4.846 4.350 -0.010 0.000 0.259 40 E C -1.177 175.445 176.600 0.037 0.000 0.932 40 E CA -0.268 56.143 56.400 0.019 0.000 0.809 40 E CB 1.804 31.511 29.700 0.013 0.000 1.341 40 E HN 0.685 nan 8.360 nan 0.000 0.405 41 I N -0.806 119.806 120.570 0.071 0.000 2.545 41 I HA 0.644 4.808 4.170 -0.010 0.000 0.292 41 I C -2.547 173.669 176.117 0.166 0.000 1.040 41 I CA -2.774 58.590 61.300 0.107 0.000 1.068 41 I CB 1.289 39.354 38.000 0.108 0.000 1.251 41 I HN 0.114 nan 8.210 nan 0.000 0.424 42 P HA 0.060 nan 4.420 nan 0.000 0.268 42 P C 0.946 178.257 177.300 0.019 0.000 1.171 42 P CA 1.683 64.816 63.100 0.056 0.000 0.761 42 P CB 0.382 32.101 31.700 0.031 0.000 0.786 43 G N 1.986 110.744 108.800 -0.071 0.000 5.045 43 G HA2 -0.285 3.669 3.960 -0.010 0.000 0.229 43 G HA3 -0.285 3.669 3.960 -0.010 0.000 0.229 43 G C 0.001 174.778 174.900 -0.205 0.000 1.440 43 G CA -0.106 44.854 45.100 -0.233 0.000 0.936 43 G HN 0.467 nan 8.290 nan 0.000 0.690 44 F N 3.551 123.497 119.950 -0.007 0.000 2.546 44 F HA 0.554 5.075 4.527 -0.009 0.000 0.388 44 F C 1.319 177.115 175.800 -0.008 0.000 1.051 44 F CA 0.134 58.130 58.000 -0.007 0.000 1.130 44 F CB 0.382 39.377 39.000 -0.007 0.000 1.044 44 F HN 0.337 nan 8.300 nan 0.000 0.553 45 R N 2.270 122.846 120.500 0.127 0.000 2.747 45 R HA 0.121 4.456 4.340 -0.010 0.000 0.278 45 R C 0.110 176.452 176.300 0.070 0.000 1.153 45 R CA -0.621 55.521 56.100 0.070 0.000 1.206 45 R CB 0.295 30.616 30.300 0.034 0.000 1.161 45 R HN 0.480 nan 8.270 nan 0.000 0.589 46 K N 0.942 121.366 120.400 0.039 0.000 2.160 46 K HA -0.014 4.301 4.320 -0.010 0.000 0.263 46 K C 0.140 176.752 176.600 0.020 0.000 1.120 46 K CA 1.208 57.509 56.287 0.025 0.000 1.115 46 K CB -0.765 31.741 32.500 0.011 0.000 0.971 46 K HN 0.786 nan 8.250 nan 0.000 0.400 47 G N 3.611 112.423 108.800 0.020 0.000 2.213 47 G HA2 -0.203 3.751 3.960 -0.010 0.000 0.236 47 G HA3 -0.203 3.751 3.960 -0.010 0.000 0.236 47 G C 0.211 175.125 174.900 0.024 0.000 0.991 47 G CA -0.436 44.671 45.100 0.012 0.000 0.629 47 G HN 0.551 nan 8.290 nan 0.000 0.517 48 R N 0.697 121.227 120.500 0.050 0.000 4.017 48 R HA 0.466 4.800 4.340 -0.010 0.000 0.272 48 R C 0.082 176.444 176.300 0.103 0.000 1.516 48 R CA -0.201 55.941 56.100 0.070 0.000 1.519 48 R CB -0.591 29.759 30.300 0.083 0.000 1.422 48 R HN 0.487 nan 8.270 nan 0.000 0.719 49 I N 2.178 122.743 120.570 -0.009 0.000 2.354 49 I HA 0.278 4.442 4.170 -0.010 0.000 0.286 49 I C -2.082 173.902 176.117 -0.221 0.000 1.007 49 I CA -2.360 58.805 61.300 -0.225 0.000 1.167 49 I CB 1.672 39.482 38.000 -0.317 0.000 1.320 49 I HN -0.148 nan 8.210 nan 0.000 0.458 50 P HA -0.083 nan 4.420 nan 0.000 0.263 50 P C 0.779 177.978 177.300 -0.170 0.000 1.175 50 P CA 0.118 63.133 63.100 -0.141 0.000 0.761 50 P CB 0.708 32.349 31.700 -0.098 0.000 0.794 51 K N 4.767 125.100 120.400 -0.113 0.000 2.034 51 K HA -0.325 3.990 4.320 -0.010 0.000 0.214 51 K C 1.675 178.137 176.600 -0.231 0.000 1.051 51 K CA 2.240 58.445 56.287 -0.137 0.000 0.931 51 K CB -0.416 32.026 32.500 -0.096 0.000 0.715 51 K HN 0.530 nan 8.250 nan 0.000 0.446 52 N N 0.855 119.440 118.700 -0.192 0.000 2.084 52 N HA -0.161 4.574 4.740 -0.010 0.000 0.190 52 N C 1.806 177.197 175.510 -0.197 0.000 1.030 52 N CA 2.209 55.140 53.050 -0.197 0.000 0.849 52 N CB -0.821 37.590 38.487 -0.127 0.000 1.012 52 N HN 0.168 nan 8.380 nan 0.000 0.423 53 V N 1.204 120.999 119.914 -0.198 0.000 2.392 53 V HA -0.192 3.922 4.120 -0.010 0.000 0.249 53 V C 2.672 178.639 176.094 -0.211 0.000 1.059 53 V CA 1.441 63.610 62.300 -0.218 0.000 1.051 53 V CB -0.865 30.734 31.823 -0.374 0.000 0.658 53 V HN 0.232 nan 8.190 nan 0.000 0.455 54 L N 0.435 121.525 121.223 -0.222 0.000 2.005 54 L HA -0.103 4.231 4.340 -0.010 0.000 0.207 54 L C 2.363 179.162 176.870 -0.118 0.000 1.072 54 L CA 2.017 56.770 54.840 -0.145 0.000 0.744 54 L CB -0.854 41.153 42.059 -0.087 0.000 0.895 54 L HN 0.196 nan 8.230 nan 0.000 0.433 55 K N -1.213 119.016 120.400 -0.286 0.000 2.442 55 K HA -0.153 4.161 4.320 -0.010 0.000 0.198 55 K C 1.916 178.423 176.600 -0.154 0.000 1.044 55 K CA 1.045 57.118 56.287 -0.356 0.000 0.948 55 K CB -0.025 32.067 32.500 -0.680 0.000 0.762 55 K HN 0.398 nan 8.250 nan 0.000 0.472 56 M N -0.046 119.477 119.600 -0.128 0.000 2.098 56 M HA -0.136 4.338 4.480 -0.010 0.000 0.262 56 M C 2.103 178.382 176.300 -0.035 0.000 1.072 56 M CA 1.257 56.513 55.300 -0.073 0.000 1.133 56 M CB -0.085 32.471 32.600 -0.073 0.000 1.344 56 M HN -0.092 nan 8.290 nan 0.000 0.414 57 K N 0.786 121.165 120.400 -0.035 0.000 2.097 57 K HA -0.074 4.240 4.320 -0.010 0.000 0.206 57 K C 1.730 178.346 176.600 0.025 0.000 1.049 57 K CA 1.380 57.663 56.287 -0.006 0.000 0.933 57 K CB -0.335 32.156 32.500 -0.016 0.000 0.717 57 K HN 0.372 nan 8.250 nan 0.000 0.442 58 L N -1.827 119.427 121.223 0.051 0.000 2.189 58 L HA 0.137 4.472 4.340 -0.010 0.000 0.199 58 L C 1.899 178.840 176.870 0.119 0.000 1.074 58 L CA 0.669 55.577 54.840 0.113 0.000 0.783 58 L CB -0.873 41.303 42.059 0.194 0.000 0.955 58 L HN 0.307 nan 8.230 nan 0.000 0.460 59 G N 0.960 109.823 108.800 0.105 0.000 2.846 59 G HA2 -0.420 3.534 3.960 -0.010 0.000 0.317 59 G HA3 -0.420 3.534 3.960 -0.010 0.000 0.317 59 G C 0.880 175.863 174.900 0.138 0.000 1.210 59 G CA 0.757 45.904 45.100 0.079 0.000 0.972 59 G HN 0.394 nan 8.290 nan 0.000 0.567 60 E N 0.810 121.073 120.200 0.105 0.000 2.274 60 E HA 0.047 4.391 4.350 -0.010 0.000 0.194 60 E C 2.191 178.865 176.600 0.125 0.000 0.996 60 E CA 1.032 57.493 56.400 0.101 0.000 0.840 60 E CB 0.004 29.740 29.700 0.061 0.000 0.772 60 E HN 0.525 nan 8.360 nan 0.000 0.491 61 E N 0.565 120.861 120.200 0.159 0.000 2.072 61 E HA -0.177 4.168 4.350 -0.010 0.000 0.191 61 E C 1.525 178.329 176.600 0.340 0.000 0.985 61 E CA 0.810 57.331 56.400 0.201 0.000 0.801 61 E CB -0.257 29.579 29.700 0.228 0.000 0.750 61 E HN 0.245 nan 8.360 nan 0.000 0.452 62 F N 1.031 121.115 119.950 0.223 0.000 2.095 62 F HA -0.262 4.260 4.527 -0.010 0.000 0.298 62 F C 2.190 178.128 175.800 0.230 0.000 1.104 62 F CA 1.834 59.992 58.000 0.264 0.000 1.232 62 F CB -0.274 38.775 39.000 0.082 0.000 0.987 62 F HN 0.055 nan 8.300 nan 0.000 0.475 63 Q N 0.508 120.509 119.800 0.334 0.000 2.142 63 Q HA -0.300 4.034 4.340 -0.010 0.000 0.213 63 Q C 2.021 178.026 176.000 0.008 0.000 1.004 63 Q CA 2.404 58.314 55.803 0.180 0.000 0.883 63 Q CB -0.476 28.336 28.738 0.123 0.000 0.939 63 Q HN 0.373 nan 8.270 nan 0.000 0.413 64 E N -1.043 119.111 120.200 -0.077 0.000 2.097 64 E HA -0.187 4.157 4.350 -0.010 0.000 0.196 64 E C 1.759 178.115 176.600 -0.407 0.000 1.000 64 E CA 1.417 57.657 56.400 -0.267 0.000 0.804 64 E CB -0.324 29.138 29.700 -0.397 0.000 0.740 64 E HN 0.556 nan 8.360 nan 0.000 0.454 65 Y N 0.196 120.258 120.300 -0.396 0.000 2.184 65 Y HA -0.145 4.399 4.550 -0.009 0.000 0.290 65 Y C 2.556 178.148 175.900 -0.514 0.000 1.129 65 Y CA 1.482 59.246 58.100 -0.560 0.000 1.144 65 Y CB -0.849 37.213 38.460 -0.663 0.000 0.995 65 Y HN -0.004 nan 8.280 nan 0.000 0.513 66 T N 0.891 115.279 114.554 -0.278 0.000 2.653 66 T HA -0.256 4.088 4.350 -0.010 0.000 0.268 66 T C 1.998 176.648 174.700 -0.083 0.000 1.035 66 T CA 1.714 63.757 62.100 -0.095 0.000 1.154 66 T CB -0.710 68.196 68.868 0.064 0.000 0.862 66 T HN 0.235 nan 8.240 nan 0.000 0.441 67 L N 0.683 121.838 121.223 -0.113 0.000 2.017 67 L HA -0.125 4.209 4.340 -0.010 0.000 0.208 67 L C 2.515 179.299 176.870 -0.144 0.000 1.073 67 L CA 1.336 56.121 54.840 -0.092 0.000 0.745 67 L CB -0.508 41.506 42.059 -0.075 0.000 0.894 67 L HN 0.169 nan 8.230 nan 0.000 0.432 68 D N -0.338 119.901 120.400 -0.268 0.000 2.144 68 D HA -0.176 4.458 4.640 -0.010 0.000 0.199 68 D C 1.751 177.928 176.300 -0.205 0.000 0.984 68 D CA 1.359 55.164 54.000 -0.325 0.000 0.834 68 D CB -0.169 40.293 40.800 -0.562 0.000 0.955 68 D HN 0.198 nan 8.370 nan 0.000 0.465 69 F N 0.107 119.948 119.950 -0.181 0.000 2.811 69 F HA 0.222 4.743 4.527 -0.010 0.000 0.301 69 F C 1.952 177.626 175.800 -0.210 0.000 1.151 69 F CA -0.163 57.726 58.000 -0.185 0.000 1.412 69 F CB -0.427 38.472 39.000 -0.169 0.000 1.113 69 F HN -0.047 nan 8.300 nan 0.000 0.579 70 L N -1.492 119.678 121.223 -0.088 0.000 2.316 70 L HA 0.002 4.337 4.340 -0.010 0.000 0.207 70 L C 2.188 178.876 176.870 -0.304 0.000 1.070 70 L CA 0.415 55.051 54.840 -0.339 0.000 0.820 70 L CB -0.180 41.630 42.059 -0.414 0.000 0.992 70 L HN 0.001 nan 8.230 nan 0.000 0.466 71 M N -0.403 119.125 119.600 -0.120 0.000 2.358 71 M HA -0.229 4.245 4.480 -0.010 0.000 0.264 71 M C 1.426 177.686 176.300 -0.067 0.000 1.064 71 M CA 1.384 56.650 55.300 -0.057 0.000 1.093 71 M CB -0.285 32.273 32.600 -0.069 0.000 1.401 71 M HN 0.129 nan 8.290 nan 0.000 0.440 72 D N 0.422 120.793 120.400 -0.048 0.000 2.224 72 D HA -0.053 4.581 4.640 -0.010 0.000 0.205 72 D C 1.805 178.079 176.300 -0.045 0.000 0.965 72 D CA 0.870 54.854 54.000 -0.026 0.000 0.852 72 D CB 0.024 40.843 40.800 0.033 0.000 0.947 72 D HN 0.305 nan 8.370 nan 0.000 0.494 73 L N 0.057 121.236 121.223 -0.073 0.000 2.265 73 L HA -0.105 4.229 4.340 -0.010 0.000 0.215 73 L C 2.147 179.039 176.870 0.036 0.000 1.117 73 L CA 0.306 55.126 54.840 -0.033 0.000 0.782 73 L CB -0.188 41.809 42.059 -0.103 0.000 0.914 73 L HN 0.125 nan 8.230 nan 0.000 0.441 74 I N -0.022 120.528 120.570 -0.033 0.000 2.113 74 I HA -0.200 3.964 4.170 -0.010 0.000 0.238 74 I C -0.323 175.723 176.117 -0.120 0.000 1.070 74 I CA 1.177 62.343 61.300 -0.222 0.000 1.332 74 I CB -1.745 35.976 38.000 -0.464 0.000 1.044 74 I HN 0.146 nan 8.210 nan 0.000 0.402 75 P HA -0.205 nan 4.420 nan 0.000 0.218 75 P C 0.090 177.398 177.300 0.012 0.000 1.147 75 P CA 1.597 64.679 63.100 -0.030 0.000 0.827 75 P CB -0.393 31.291 31.700 -0.027 0.000 0.778 76 D N -1.838 118.580 120.400 0.030 0.000 2.856 76 D HA 0.050 4.684 4.640 -0.010 0.000 0.242 76 D C 0.715 177.071 176.300 0.093 0.000 1.226 76 D CA 0.574 54.605 54.000 0.052 0.000 0.855 76 D CB -0.495 40.333 40.800 0.046 0.000 1.065 76 D HN 0.210 nan 8.370 nan 0.000 0.462 77 T N -1.650 112.970 114.554 0.110 0.000 3.304 77 T HA 0.035 4.379 4.350 -0.010 0.000 0.269 77 T C 0.729 175.504 174.700 0.124 0.000 0.895 77 T CA -0.310 61.885 62.100 0.158 0.000 0.948 77 T CB 0.185 69.255 68.868 0.337 0.000 1.242 77 T HN 0.034 nan 8.240 nan 0.000 0.522 78 L N 1.279 122.567 121.223 0.108 0.000 3.064 78 L HA 0.590 4.924 4.340 -0.010 0.000 0.233 78 L C 1.043 177.941 176.870 0.046 0.000 1.333 78 L CA -0.443 54.444 54.840 0.078 0.000 1.140 78 L CB -0.506 41.603 42.059 0.084 0.000 1.519 78 L HN -0.027 nan 8.230 nan 0.000 0.493 79 K N 0.322 120.747 120.400 0.042 0.000 2.186 79 K HA -0.035 4.279 4.320 -0.010 0.000 0.202 79 K C 1.149 177.763 176.600 0.023 0.000 1.052 79 K CA 1.096 57.400 56.287 0.028 0.000 0.965 79 K CB 0.050 32.566 32.500 0.027 0.000 0.746 79 K HN 0.587 nan 8.250 nan 0.000 0.457 80 D N 1.427 121.843 120.400 0.026 0.000 2.213 80 D HA -0.105 4.529 4.640 -0.010 0.000 0.205 80 D C 0.555 176.866 176.300 0.018 0.000 0.961 80 D CA 0.402 54.414 54.000 0.020 0.000 0.853 80 D CB -0.109 40.703 40.800 0.019 0.000 0.967 80 D HN -0.024 nan 8.370 nan 0.000 0.496 81 R N 0.697 121.210 120.500 0.022 0.000 2.389 81 R HA 0.299 4.633 4.340 -0.010 0.000 0.295 81 R C -0.411 175.899 176.300 0.016 0.000 1.075 81 R CA -0.285 55.827 56.100 0.019 0.000 1.005 81 R CB 0.679 30.993 30.300 0.024 0.000 0.987 81 R HN -0.119 nan 8.270 nan 0.000 0.452 82 K N 4.103 124.510 120.400 0.011 0.000 2.264 82 K HA 0.279 4.593 4.320 -0.010 0.000 0.277 82 K C -0.674 175.929 176.600 0.006 0.000 1.067 82 K CA -0.184 56.106 56.287 0.006 0.000 0.900 82 K CB 0.613 33.114 32.500 0.002 0.000 1.124 82 K HN 0.376 nan 8.250 nan 0.000 0.469 83 L N 0.297 121.524 121.223 0.008 0.000 2.333 83 L HA 0.525 4.859 4.340 -0.010 0.000 0.269 83 L C 0.733 177.609 176.870 0.009 0.000 1.010 83 L CA -0.996 53.855 54.840 0.018 0.000 0.818 83 L CB 0.865 42.945 42.059 0.035 0.000 1.306 83 L HN 0.302 nan 8.230 nan 0.000 0.430 84 I N 0.813 121.397 120.570 0.022 0.000 2.202 84 I HA -0.011 4.153 4.170 -0.010 0.000 0.242 84 I C 0.640 176.756 176.117 -0.002 0.000 1.091 84 I CA 1.523 62.828 61.300 0.008 0.000 1.368 84 I CB -0.172 37.843 38.000 0.026 0.000 1.058 84 I HN 0.502 nan 8.210 nan 0.000 0.410 85 L N -0.083 121.152 121.223 0.020 0.000 2.385 85 L HA 0.280 4.614 4.340 -0.010 0.000 0.273 85 L C 0.336 177.203 176.870 -0.005 0.000 0.990 85 L CA -0.486 54.342 54.840 -0.020 0.000 0.821 85 L CB 2.027 44.030 42.059 -0.093 0.000 1.279 85 L HN -0.143 nan 8.230 nan 0.000 0.412 86 S N 3.109 118.795 115.700 -0.024 0.000 2.599 86 S HA 0.002 4.466 4.470 -0.010 0.000 0.303 86 S C -2.202 172.390 174.600 -0.013 0.000 1.267 86 S CA -0.634 57.555 58.200 -0.019 0.000 1.055 86 S CB -0.157 63.024 63.200 -0.031 0.000 0.790 86 S HN 0.345 nan 8.310 nan 0.000 0.500 87 P HA 0.078 nan 4.420 nan 0.000 0.263 87 P C -0.720 176.577 177.300 -0.006 0.000 1.175 87 P CA 0.178 63.286 63.100 0.015 0.000 0.761 87 P CB 0.224 31.921 31.700 -0.005 0.000 0.794 88 I N 3.859 124.439 120.570 0.015 0.000 2.389 88 I HA 0.138 4.303 4.170 -0.010 0.000 0.288 88 I C -0.129 175.993 176.117 0.008 0.000 0.999 88 I CA -0.829 60.468 61.300 -0.006 0.000 1.129 88 I CB 1.583 39.568 38.000 -0.025 0.000 1.288 88 I HN 0.004 nan 8.210 nan 0.000 0.444 89 V N 7.013 126.919 119.914 -0.013 0.000 2.356 89 V HA 0.124 4.238 4.120 -0.010 0.000 0.258 89 V C 1.379 177.471 176.094 -0.004 0.000 1.065 89 V CA -0.027 62.267 62.300 -0.010 0.000 0.935 89 V CB 0.416 32.222 31.823 -0.029 0.000 1.061 89 V HN 0.848 nan 8.190 nan 0.000 0.484 90 T N 2.821 117.382 114.554 0.011 0.000 2.857 90 T HA -0.021 4.323 4.350 -0.010 0.000 0.266 90 T C 0.656 175.358 174.700 0.004 0.000 1.048 90 T CA 1.135 63.241 62.100 0.011 0.000 1.139 90 T CB 0.203 69.084 68.868 0.022 0.000 0.874 90 T HN 0.715 nan 8.240 nan 0.000 0.455 91 E N 0.414 120.618 120.200 0.007 0.000 2.363 91 E HA 0.379 4.723 4.350 -0.010 0.000 0.281 91 E C -1.705 174.901 176.600 0.010 0.000 0.953 91 E CA -0.748 55.655 56.400 0.005 0.000 0.778 91 E CB 1.545 31.250 29.700 0.008 0.000 1.220 91 E HN 0.229 nan 8.360 nan 0.000 0.431 92 R N 2.604 123.108 120.500 0.007 0.000 2.532 92 R HA 0.487 4.821 4.340 -0.010 0.000 0.297 92 R C -0.606 175.706 176.300 0.020 0.000 0.984 92 R CA -0.956 55.155 56.100 0.017 0.000 0.884 92 R CB 2.300 32.600 30.300 0.001 0.000 1.182 92 R HN 0.346 nan 8.270 nan 0.000 0.442 93 E N 3.336 123.558 120.200 0.038 0.000 2.343 93 E HA 0.481 4.825 4.350 -0.010 0.000 0.270 93 E C -1.795 174.839 176.600 0.057 0.000 0.895 93 E CA -1.066 55.357 56.400 0.037 0.000 0.767 93 E CB 2.522 32.239 29.700 0.028 0.000 1.248 93 E HN 0.422 nan 8.360 nan 0.000 0.440 94 L N 2.715 123.970 121.223 0.053 0.000 2.464 94 L HA 0.551 4.885 4.340 -0.010 0.000 0.266 94 L C -1.417 175.487 176.870 0.056 0.000 0.965 94 L CA -0.332 54.549 54.840 0.067 0.000 0.833 94 L CB 1.541 43.646 42.059 0.078 0.000 1.296 94 L HN 0.432 nan 8.230 nan 0.000 0.405 95 K N 1.943 122.375 120.400 0.055 0.000 2.126 95 K HA 0.391 4.706 4.320 -0.010 0.000 0.245 95 K C 0.153 176.781 176.600 0.046 0.000 1.068 95 K CA -0.011 56.302 56.287 0.044 0.000 0.877 95 K CB 0.969 33.489 32.500 0.034 0.000 1.406 95 K HN 0.743 nan 8.250 nan 0.000 0.490 96 D N 0.297 120.719 120.400 0.036 0.000 2.160 96 D HA -0.161 4.473 4.640 -0.010 0.000 0.189 96 D C 0.957 177.280 176.300 0.038 0.000 1.003 96 D CA 1.667 55.687 54.000 0.033 0.000 0.846 96 D CB -0.163 40.652 40.800 0.024 0.000 0.949 96 D HN 0.070 nan 8.370 nan 0.000 0.446 97 V N -0.267 119.670 119.914 0.039 0.000 2.666 97 V HA 0.372 4.486 4.120 -0.010 0.000 0.306 97 V C -0.215 175.910 176.094 0.051 0.000 1.156 97 V CA -0.099 62.226 62.300 0.043 0.000 1.274 97 V CB 0.495 32.338 31.823 0.033 0.000 1.536 97 V HN 0.491 nan 8.190 nan 0.000 0.640 98 T N 0.684 115.276 114.554 0.064 0.000 3.343 98 T HA 0.616 4.960 4.350 -0.010 0.000 0.383 98 T C -1.708 173.049 174.700 0.096 0.000 1.615 98 T CA 0.408 62.553 62.100 0.074 0.000 1.153 98 T CB 1.433 70.329 68.868 0.047 0.000 1.434 98 T HN 0.543 nan 8.240 nan 0.000 0.476 99 A N 4.348 127.253 122.820 0.141 0.000 2.466 99 A HA 0.764 5.078 4.320 -0.010 0.000 0.291 99 A C -0.204 177.489 177.584 0.182 0.000 1.234 99 A CA -0.685 51.460 52.037 0.179 0.000 0.752 99 A CB 0.838 19.982 19.000 0.240 0.000 1.153 99 A HN 0.811 nan 8.150 nan 0.000 0.458 100 R N 1.983 122.539 120.500 0.094 0.000 2.368 100 R HA 0.670 5.004 4.340 -0.010 0.000 0.302 100 R C -1.379 174.957 176.300 0.059 0.000 1.002 100 R CA -0.217 55.900 56.100 0.029 0.000 0.929 100 R CB 1.224 31.529 30.300 0.009 0.000 1.073 100 R HN 0.422 nan 8.270 nan 0.000 0.464 101 V N 4.795 124.731 119.914 0.036 0.000 2.588 101 V HA 0.331 4.445 4.120 -0.010 0.000 0.304 101 V C -0.626 175.509 176.094 0.070 0.000 1.042 101 V CA -0.882 61.461 62.300 0.071 0.000 0.877 101 V CB 1.990 33.889 31.823 0.128 0.000 0.996 101 V HN 0.501 nan 8.190 nan 0.000 0.425 102 V N 5.663 125.609 119.914 0.053 0.000 2.328 102 V HA 0.451 4.565 4.120 -0.010 0.000 0.278 102 V C -0.089 176.041 176.094 0.060 0.000 1.021 102 V CA -0.479 61.856 62.300 0.059 0.000 0.838 102 V CB 1.642 33.484 31.823 0.032 0.000 0.999 102 V HN 0.746 nan 8.190 nan 0.000 0.447 103 V N 2.301 122.275 119.914 0.099 0.000 2.459 103 V HA 0.671 4.785 4.120 -0.010 0.000 0.295 103 V C -0.344 175.804 176.094 0.090 0.000 1.029 103 V CA -0.573 61.770 62.300 0.071 0.000 0.874 103 V CB 1.758 33.591 31.823 0.016 0.000 0.985 103 V HN 0.886 nan 8.190 nan 0.000 0.438 104 E N 3.430 123.680 120.200 0.083 0.000 2.174 104 E HA 0.620 4.965 4.350 -0.010 0.000 0.282 104 E C -1.473 175.219 176.600 0.153 0.000 0.992 104 E CA -0.680 55.786 56.400 0.110 0.000 0.803 104 E CB 1.972 31.763 29.700 0.152 0.000 1.090 104 E HN 0.758 nan 8.360 nan 0.000 0.396 105 V N 5.778 125.755 119.914 0.105 0.000 2.349 105 V HA 0.155 4.269 4.120 -0.010 0.000 0.284 105 V C -0.465 175.659 176.094 0.050 0.000 1.014 105 V CA -0.656 61.704 62.300 0.101 0.000 0.826 105 V CB 1.221 33.087 31.823 0.071 0.000 1.009 105 V HN 0.725 nan 8.190 nan 0.000 0.431 106 H N 4.837 123.908 119.070 0.002 0.000 2.788 106 H HA 0.218 4.770 4.556 -0.006 0.000 0.254 106 H C 0.331 175.656 175.328 -0.006 0.000 1.541 106 H CA -0.329 55.717 56.048 -0.004 0.000 1.295 106 H CB 0.620 30.377 29.762 -0.009 0.000 1.592 106 H HN 0.757 nan 8.280 nan 0.000 0.545 107 E N 2.179 122.403 120.200 0.041 0.000 2.390 107 E HA 0.062 4.406 4.350 -0.010 0.000 0.261 107 E C -0.160 176.454 176.600 0.022 0.000 1.076 107 E CA -0.616 55.800 56.400 0.026 0.000 0.905 107 E CB 1.364 31.069 29.700 0.007 0.000 0.984 107 E HN 0.385 nan 8.360 nan 0.000 0.427 108 E N 2.443 122.652 120.200 0.015 0.000 2.502 108 E HA 0.013 4.357 4.350 -0.010 0.000 0.261 108 E C -1.920 174.685 176.600 0.008 0.000 0.974 108 E CA -0.939 55.466 56.400 0.009 0.000 0.936 108 E CB 0.329 30.028 29.700 -0.001 0.000 0.926 108 E HN 0.405 nan 8.360 nan 0.000 0.459 109 P HA 0.152 nan 4.420 nan 0.000 0.278 109 P C -0.348 176.957 177.300 0.010 0.000 1.258 109 P CA -0.313 62.791 63.100 0.007 0.000 0.811 109 P CB 0.878 32.584 31.700 0.010 0.000 1.063 110 E N -0.184 120.020 120.200 0.007 0.000 2.319 110 E HA 0.371 4.715 4.350 -0.010 0.000 0.268 110 E C 0.035 176.643 176.600 0.012 0.000 1.050 110 E CA -0.551 55.854 56.400 0.009 0.000 0.878 110 E CB 1.446 31.149 29.700 0.005 0.000 1.066 110 E HN 0.325 nan 8.360 nan 0.000 0.406 111 V N -0.340 119.584 119.914 0.016 0.000 3.119 111 V HA 0.747 4.861 4.120 -0.010 0.000 0.311 111 V C -0.767 175.335 176.094 0.014 0.000 1.259 111 V CA -1.079 61.231 62.300 0.017 0.000 1.067 111 V CB 2.034 33.872 31.823 0.025 0.000 1.123 111 V HN 0.611 nan 8.190 nan 0.000 0.463 112 R N 0.723 121.231 120.500 0.014 0.000 2.772 112 R HA 0.558 4.892 4.340 -0.010 0.000 0.288 112 R C -1.559 174.747 176.300 0.011 0.000 1.365 112 R CA -0.400 55.707 56.100 0.011 0.000 1.023 112 R CB 1.199 31.503 30.300 0.007 0.000 1.261 112 R HN 0.806 nan 8.270 nan 0.000 0.422 113 I N 2.120 122.697 120.570 0.011 0.000 2.664 113 I HA 0.143 4.307 4.170 -0.010 0.000 0.284 113 I C 1.442 177.563 176.117 0.006 0.000 1.154 113 I CA 0.352 61.657 61.300 0.010 0.000 1.402 113 I CB 0.180 38.185 38.000 0.008 0.000 1.395 113 I HN 0.658 nan 8.210 nan 0.000 0.545 114 G N 4.267 113.071 108.800 0.006 0.000 3.107 114 G HA2 -0.025 3.929 3.960 -0.010 0.000 0.155 114 G HA3 -0.025 3.929 3.960 -0.010 0.000 0.155 114 G C -0.113 174.789 174.900 0.003 0.000 1.875 114 G CA -0.035 45.068 45.100 0.004 0.000 1.004 114 G HN 0.604 nan 8.290 nan 0.000 0.480 115 D N 0.626 121.027 120.400 0.002 0.000 2.564 115 D HA 0.257 4.892 4.640 -0.010 0.000 0.226 115 D C 1.638 177.938 176.300 0.001 0.000 1.149 115 D CA -0.371 53.630 54.000 0.001 0.000 0.994 115 D CB 0.233 41.034 40.800 0.001 0.000 1.029 115 D HN 0.134 nan 8.370 nan 0.000 0.517 116 I N 0.889 121.459 120.570 0.000 0.000 2.761 116 I HA -0.278 3.886 4.170 -0.010 0.000 0.266 116 I C 2.385 178.501 176.117 -0.002 0.000 1.239 116 I CA 0.881 62.180 61.300 -0.001 0.000 1.451 116 I CB -0.550 37.448 38.000 -0.003 0.000 1.096 116 I HN 0.217 nan 8.210 nan 0.000 0.465 117 S N 0.454 116.153 115.700 -0.001 0.000 2.425 117 S HA -0.104 4.360 4.470 -0.010 0.000 0.225 117 S C 1.655 176.255 174.600 -0.000 0.000 1.024 117 S CA 0.195 58.394 58.200 -0.001 0.000 0.951 117 S CB -0.385 62.815 63.200 -0.001 0.000 0.796 117 S HN 0.450 nan 8.310 nan 0.000 0.498 118 K N 1.127 121.527 120.400 0.000 0.000 3.245 118 K HA 0.356 4.670 4.320 -0.010 0.000 0.285 118 K C -0.948 175.652 176.600 0.001 0.000 1.156 118 K CA -0.053 56.234 56.287 0.001 0.000 1.162 118 K CB -0.631 31.870 32.500 0.001 0.000 1.365 118 K HN 0.484 nan 8.250 nan 0.000 0.316 119 I N 1.304 121.875 120.570 0.000 0.000 2.571 119 I HA 0.088 4.252 4.170 -0.010 0.000 0.286 119 I C -1.334 174.783 176.117 -0.000 0.000 1.134 119 I CA -0.752 60.548 61.300 0.000 0.000 1.052 119 I CB 1.753 39.753 38.000 -0.001 0.000 1.237 119 I HN 0.129 nan 8.210 nan 0.000 0.435 120 E N 6.434 126.635 120.200 0.001 0.000 2.167 120 E HA 0.496 4.840 4.350 -0.010 0.000 0.284 120 E C -0.963 175.637 176.600 0.001 0.000 1.016 120 E CA -0.394 56.008 56.400 0.002 0.000 0.817 120 E CB 1.231 30.933 29.700 0.003 0.000 1.080 120 E HN 0.382 nan 8.360 nan 0.000 0.397 121 V N 3.551 123.465 119.914 0.000 0.000 5.941 121 V HA 0.466 4.580 4.120 -0.010 0.000 0.274 121 V C 0.092 176.187 176.094 0.002 0.000 1.530 121 V CA -0.603 61.696 62.300 -0.002 0.000 0.633 121 V CB 0.392 32.211 31.823 -0.007 0.000 1.404 121 V HN 0.830 nan 8.190 nan 0.000 0.383 122 E N 0.396 120.598 120.200 0.003 0.000 2.952 122 E HA 0.210 4.554 4.350 -0.010 0.000 0.347 122 E C -0.981 175.632 176.600 0.021 0.000 1.103 122 E CA -0.365 56.042 56.400 0.011 0.000 0.910 122 E CB 0.516 30.221 29.700 0.010 0.000 1.428 122 E HN 0.554 nan 8.360 nan 0.000 0.389 123 K N 1.408 121.827 120.400 0.033 0.000 2.402 123 K HA 0.141 4.456 4.320 -0.010 0.000 0.285 123 K C -0.655 176.006 176.600 0.102 0.000 1.054 123 K CA -0.060 56.267 56.287 0.067 0.000 1.001 123 K CB 0.505 33.047 32.500 0.070 0.000 0.946 123 K HN 0.051 nan 8.250 nan 0.000 0.473 124 V N 3.538 123.552 119.914 0.167 0.000 2.904 124 V HA 0.067 4.181 4.120 -0.010 0.000 0.305 124 V C 0.193 176.377 176.094 0.150 0.000 1.067 124 V CA -0.660 61.739 62.300 0.165 0.000 1.044 124 V CB 1.195 33.127 31.823 0.181 0.000 1.050 124 V HN 0.864 nan 8.190 nan 0.000 0.475 125 D N 1.536 121.968 120.400 0.052 0.000 2.385 125 D HA 0.005 4.639 4.640 -0.010 0.000 0.260 125 D C 1.270 177.481 176.300 -0.148 0.000 1.326 125 D CA 0.380 54.363 54.000 -0.028 0.000 1.023 125 D CB 0.279 41.069 40.800 -0.017 0.000 1.083 125 D HN 0.702 nan 8.370 nan 0.000 0.517 126 E N 2.572 122.581 120.200 -0.318 0.000 2.108 126 E HA -0.334 4.010 4.350 -0.010 0.000 0.203 126 E C 1.209 177.610 176.600 -0.332 0.000 1.022 126 E CA 1.470 57.490 56.400 -0.633 0.000 0.823 126 E CB 0.249 29.601 29.700 -0.581 0.000 0.744 126 E HN 0.652 nan 8.360 nan 0.000 0.456 127 E N 0.034 120.126 120.200 -0.181 0.000 2.012 127 E HA -0.240 4.105 4.350 -0.010 0.000 0.197 127 E C 2.148 178.705 176.600 -0.072 0.000 1.007 127 E CA 1.498 57.837 56.400 -0.103 0.000 0.816 127 E CB -0.091 29.569 29.700 -0.066 0.000 0.762 127 E HN 0.067 nan 8.360 nan 0.000 0.451 128 K N 0.594 120.960 120.400 -0.056 0.000 2.211 128 K HA -0.111 4.203 4.320 -0.010 0.000 0.203 128 K C 1.914 178.510 176.600 -0.008 0.000 1.050 128 K CA 0.690 56.964 56.287 -0.022 0.000 0.945 128 K CB 0.137 32.632 32.500 -0.010 0.000 0.732 128 K HN -0.049 nan 8.250 nan 0.000 0.451 129 V N 1.280 121.171 119.914 -0.037 0.000 2.307 129 V HA -0.243 3.871 4.120 -0.010 0.000 0.245 129 V C 2.248 178.361 176.094 0.031 0.000 1.045 129 V CA 1.630 63.931 62.300 0.002 0.000 1.024 129 V CB -0.349 31.453 31.823 -0.034 0.000 0.651 129 V HN 0.317 nan 8.190 nan 0.000 0.449 130 L N -0.405 120.801 121.223 -0.028 0.000 2.027 130 L HA -0.159 4.175 4.340 -0.010 0.000 0.206 130 L C 2.661 179.595 176.870 0.106 0.000 1.074 130 L CA 1.746 56.613 54.840 0.045 0.000 0.745 130 L CB -0.472 41.571 42.059 -0.025 0.000 0.898 130 L HN 0.377 nan 8.230 nan 0.000 0.433 131 E N 0.176 120.402 120.200 0.043 0.000 2.150 131 E HA -0.227 4.117 4.350 -0.010 0.000 0.193 131 E C 2.109 178.733 176.600 0.041 0.000 0.985 131 E CA 0.998 57.417 56.400 0.033 0.000 0.814 131 E CB 0.214 29.919 29.700 0.008 0.000 0.752 131 E HN 0.384 nan 8.360 nan 0.000 0.466 132 K N -0.280 120.156 120.400 0.060 0.000 2.025 132 K HA -0.189 4.125 4.320 -0.010 0.000 0.207 132 K C 2.154 178.808 176.600 0.090 0.000 1.049 132 K CA 1.492 57.817 56.287 0.063 0.000 0.933 132 K CB -0.343 32.196 32.500 0.065 0.000 0.714 132 K HN 0.200 nan 8.250 nan 0.000 0.438 133 Y N 1.033 121.340 120.300 0.011 0.000 2.224 133 Y HA -0.216 4.328 4.550 -0.010 0.000 0.289 133 Y C 1.730 177.639 175.900 0.014 0.000 1.146 133 Y CA 1.056 59.166 58.100 0.018 0.000 1.182 133 Y CB -0.203 38.274 38.460 0.027 0.000 0.983 133 Y HN -0.237 nan 8.280 nan 0.000 0.524 134 V N 0.796 120.607 119.914 -0.172 0.000 2.283 134 V HA -0.239 3.875 4.120 -0.010 0.000 0.243 134 V C 2.348 178.330 176.094 -0.187 0.000 1.039 134 V CA 2.052 64.191 62.300 -0.268 0.000 1.016 134 V CB -0.749 31.038 31.823 -0.061 0.000 0.650 134 V HN 0.435 nan 8.190 nan 0.000 0.449 135 E N 0.764 120.909 120.200 -0.091 0.000 2.086 135 E HA -0.344 4.000 4.350 -0.010 0.000 0.205 135 E C 2.392 178.943 176.600 -0.082 0.000 1.027 135 E CA 2.449 58.810 56.400 -0.064 0.000 0.830 135 E CB -0.150 29.532 29.700 -0.030 0.000 0.751 135 E HN 0.706 nan 8.360 nan 0.000 0.456 136 R N -0.002 120.443 120.500 -0.092 0.000 2.148 136 R HA -0.084 4.250 4.340 -0.010 0.000 0.227 136 R C 2.255 178.479 176.300 -0.126 0.000 1.103 136 R CA 1.423 57.475 56.100 -0.081 0.000 0.983 136 R CB -0.297 29.977 30.300 -0.042 0.000 0.874 136 R HN -0.054 nan 8.270 nan 0.000 0.451 137 R N 0.706 121.063 120.500 -0.238 0.000 2.189 137 R HA 0.085 4.419 4.340 -0.010 0.000 0.218 137 R C 1.693 177.901 176.300 -0.153 0.000 1.074 137 R CA 0.826 56.772 56.100 -0.257 0.000 0.991 137 R CB 0.011 30.010 30.300 -0.502 0.000 0.883 137 R HN 0.244 nan 8.270 nan 0.000 0.457 138 I N 0.330 120.824 120.570 -0.126 0.000 2.500 138 I HA -0.074 4.090 4.170 -0.010 0.000 0.252 138 I C 2.029 178.112 176.117 -0.056 0.000 1.142 138 I CA 0.987 62.239 61.300 -0.080 0.000 1.451 138 I CB -1.092 36.870 38.000 -0.063 0.000 1.093 138 I HN 0.321 nan 8.210 nan 0.000 0.430 139 E N 1.328 121.496 120.200 -0.053 0.000 2.033 139 E HA -0.259 4.085 4.350 -0.010 0.000 0.199 139 E C 1.750 178.336 176.600 -0.024 0.000 1.011 139 E CA 1.897 58.278 56.400 -0.031 0.000 0.815 139 E CB 0.129 29.812 29.700 -0.028 0.000 0.755 139 E HN 0.365 nan 8.360 nan 0.000 0.451 140 D N 0.291 120.671 120.400 -0.034 0.000 2.116 140 D HA -0.185 4.449 4.640 -0.010 0.000 0.193 140 D C 1.964 178.264 176.300 -0.001 0.000 0.998 140 D CA 0.786 54.775 54.000 -0.017 0.000 0.836 140 D CB -0.225 40.558 40.800 -0.029 0.000 0.951 140 D HN 0.178 nan 8.370 nan 0.000 0.449 141 L N 1.295 122.501 121.223 -0.028 0.000 2.046 141 L HA -0.129 4.205 4.340 -0.010 0.000 0.208 141 L C 2.514 179.382 176.870 -0.003 0.000 1.077 141 L CA 1.453 56.269 54.840 -0.039 0.000 0.747 141 L CB -0.783 41.205 42.059 -0.117 0.000 0.896 141 L HN 0.139 nan 8.230 nan 0.000 0.432 142 R N -1.015 119.480 120.500 -0.008 0.000 2.148 142 R HA -0.088 4.246 4.340 -0.010 0.000 0.223 142 R C 1.787 178.121 176.300 0.057 0.000 1.088 142 R CA 0.844 56.956 56.100 0.021 0.000 0.985 142 R CB -0.456 29.845 30.300 0.002 0.000 0.880 142 R HN 0.360 nan 8.270 nan 0.000 0.451 143 E N 1.772 121.999 120.200 0.045 0.000 2.000 143 E HA -0.182 4.162 4.350 -0.010 0.000 0.199 143 E C 1.825 178.455 176.600 0.049 0.000 1.011 143 E CA 2.069 58.492 56.400 0.038 0.000 0.836 143 E CB -0.103 29.612 29.700 0.025 0.000 0.778 143 E HN 0.516 nan 8.360 nan 0.000 0.462 144 S N 0.098 115.842 115.700 0.074 0.000 2.641 144 S HA -0.130 4.334 4.470 -0.010 0.000 0.239 144 S C 0.527 175.091 174.600 -0.060 0.000 0.972 144 S CA 0.902 59.118 58.200 0.027 0.000 0.954 144 S CB -0.284 62.947 63.200 0.052 0.000 0.767 144 S HN 0.271 nan 8.310 nan 0.000 0.539 145 H N 0.378 119.423 119.070 -0.041 0.000 2.637 145 H HA 0.633 5.183 4.556 -0.010 0.000 0.245 145 H C 0.614 175.922 175.328 -0.032 0.000 1.190 145 H CA -0.176 55.848 56.048 -0.040 0.000 0.934 145 H CB 0.049 29.789 29.762 -0.037 0.000 1.950 145 H HN 0.489 nan 8.280 nan 0.000 0.614 146 A N 0.634 123.478 122.820 0.040 0.000 2.386 146 A HA 0.320 4.634 4.320 -0.010 0.000 0.246 146 A C -0.014 177.575 177.584 0.008 0.000 1.089 146 A CA -0.371 51.681 52.037 0.025 0.000 0.790 146 A CB 0.200 19.208 19.000 0.014 0.000 1.042 146 A HN 0.417 nan 8.150 nan 0.000 0.497 147 L N 1.586 122.819 121.223 0.018 0.000 2.295 147 L HA 0.335 4.669 4.340 -0.010 0.000 0.288 147 L C -0.918 175.966 176.870 0.023 0.000 1.079 147 L CA -0.211 54.640 54.840 0.017 0.000 0.830 147 L CB 0.045 42.119 42.059 0.024 0.000 1.200 147 L HN 0.565 nan 8.230 nan 0.000 0.438 148 L N 1.256 122.487 121.223 0.013 0.000 2.356 148 L HA 0.725 5.059 4.340 -0.010 0.000 0.277 148 L C -0.595 176.349 176.870 0.123 0.000 0.996 148 L CA -0.751 54.120 54.840 0.052 0.000 0.822 148 L CB 1.524 43.570 42.059 -0.022 0.000 1.256 148 L HN 0.368 nan 8.230 nan 0.000 0.413 149 E N 2.965 123.276 120.200 0.185 0.000 2.314 149 E HA 0.483 4.827 4.350 -0.010 0.000 0.272 149 E C -2.708 173.990 176.600 0.163 0.000 0.884 149 E CA -2.065 54.453 56.400 0.197 0.000 0.753 149 E CB 2.675 32.434 29.700 0.097 0.000 1.213 149 E HN 0.431 nan 8.360 nan 0.000 0.432 150 P HA -0.025 nan 4.420 nan 0.000 0.264 150 P C -0.711 176.535 177.300 -0.089 0.000 1.229 150 P CA 0.106 63.098 63.100 -0.179 0.000 0.780 150 P CB 0.186 31.727 31.700 -0.265 0.000 0.808 151 K N 3.247 123.607 120.400 -0.068 0.000 2.484 151 K HA -0.073 4.241 4.320 -0.010 0.000 0.280 151 K C 0.732 177.298 176.600 -0.056 0.000 1.013 151 K CA 0.519 56.784 56.287 -0.036 0.000 1.029 151 K CB 0.355 32.846 32.500 -0.015 0.000 0.902 151 K HN 0.420 nan 8.250 nan 0.000 0.481 152 E N 2.018 122.197 120.200 -0.035 0.000 2.400 152 E HA 0.002 4.346 4.350 -0.010 0.000 0.195 152 E C 1.050 177.635 176.600 -0.025 0.000 1.012 152 E CA 0.204 56.583 56.400 -0.034 0.000 0.875 152 E CB 0.447 30.133 29.700 -0.023 0.000 0.859 152 E HN 0.837 nan 8.360 nan 0.000 0.498 153 G N 2.014 110.804 108.800 -0.017 0.000 2.873 153 G HA2 0.118 4.073 3.960 -0.010 0.000 0.170 153 G HA3 0.118 4.073 3.960 -0.010 0.000 0.170 153 G C -2.000 172.894 174.900 -0.010 0.000 1.608 153 G CA -0.395 44.699 45.100 -0.010 0.000 1.084 153 G HN 0.012 nan 8.290 nan 0.000 0.563 154 P HA 0.523 nan 4.420 nan 0.000 0.333 154 P C -1.114 176.189 177.300 0.005 0.000 1.370 154 P CA 0.146 63.246 63.100 0.000 0.000 0.851 154 P CB 0.988 32.690 31.700 0.002 0.000 2.082 155 A N -0.523 122.303 122.820 0.011 0.000 2.547 155 A HA 0.465 4.779 4.320 -0.010 0.000 0.279 155 A C 0.237 177.832 177.584 0.018 0.000 1.088 155 A CA -0.453 51.596 52.037 0.019 0.000 0.796 155 A CB 0.520 19.537 19.000 0.028 0.000 1.308 155 A HN 0.482 nan 8.150 nan 0.000 0.415 156 E N 2.715 122.926 120.200 0.018 0.000 3.310 156 E HA 0.685 5.029 4.350 -0.010 0.000 0.428 156 E C 0.725 177.336 176.600 0.019 0.000 0.365 156 E CA 0.125 56.534 56.400 0.015 0.000 2.592 156 E CB -0.226 29.481 29.700 0.011 0.000 2.230 156 E HN 0.914 nan 8.360 nan 0.000 0.451 157 A N -0.389 122.441 122.820 0.017 0.000 2.425 157 A HA 0.457 4.772 4.320 -0.010 0.000 0.249 157 A C 0.918 178.518 177.584 0.027 0.000 1.084 157 A CA 0.497 52.545 52.037 0.019 0.000 0.781 157 A CB -0.743 18.266 19.000 0.015 0.000 1.019 157 A HN 1.110 nan 8.150 nan 0.000 0.490 158 G N 2.141 110.960 108.800 0.032 0.000 2.359 158 G HA2 0.011 3.965 3.960 -0.010 0.000 0.298 158 G HA3 0.011 3.965 3.960 -0.010 0.000 0.298 158 G C -0.651 174.276 174.900 0.046 0.000 1.030 158 G CA 0.464 45.586 45.100 0.037 0.000 1.149 158 G HN 1.340 nan 8.290 nan 0.000 0.512 159 D N -0.937 119.498 120.400 0.058 0.000 2.859 159 D HA 0.504 5.138 4.640 -0.010 0.000 0.223 159 D C -0.172 176.187 176.300 0.097 0.000 1.218 159 D CA -0.886 53.158 54.000 0.074 0.000 0.850 159 D CB 1.275 42.114 40.800 0.065 0.000 1.656 159 D HN 0.361 nan 8.370 nan 0.000 0.484 160 L N 0.974 122.272 121.223 0.124 0.000 2.305 160 L HA 0.561 4.895 4.340 -0.010 0.000 0.281 160 L C -1.178 175.805 176.870 0.188 0.000 1.085 160 L CA -0.601 54.327 54.840 0.147 0.000 0.813 160 L CB 0.778 42.915 42.059 0.129 0.000 1.157 160 L HN 0.284 nan 8.230 nan 0.000 0.436 161 V N 6.026 126.054 119.914 0.190 0.000 2.350 161 V HA 0.384 4.498 4.120 -0.010 0.000 0.285 161 V C 0.155 176.384 176.094 0.226 0.000 1.014 161 V CA -0.616 61.800 62.300 0.192 0.000 0.831 161 V CB 1.244 33.168 31.823 0.169 0.000 1.000 161 V HN 0.722 nan 8.190 nan 0.000 0.433 162 R N 3.976 124.605 120.500 0.216 0.000 2.242 162 R HA 0.565 4.899 4.340 -0.010 0.000 0.334 162 R C -1.067 175.340 176.300 0.178 0.000 1.071 162 R CA -0.157 56.061 56.100 0.196 0.000 0.922 162 R CB 0.789 31.225 30.300 0.227 0.000 1.023 162 R HN 0.605 nan 8.270 nan 0.000 0.458 163 V N 4.194 124.238 119.914 0.217 0.000 2.555 163 V HA 0.276 4.391 4.120 -0.010 0.000 0.302 163 V C -0.087 176.122 176.094 0.190 0.000 1.038 163 V CA -1.130 61.298 62.300 0.213 0.000 0.887 163 V CB 1.740 33.733 31.823 0.283 0.000 0.991 163 V HN 0.722 nan 8.190 nan 0.000 0.434 164 N N 4.473 123.258 118.700 0.141 0.000 2.457 164 N HA 0.386 5.120 4.740 -0.010 0.000 0.250 164 N C -0.990 174.596 175.510 0.127 0.000 0.982 164 N CA -0.313 52.803 53.050 0.110 0.000 0.941 164 N CB 1.322 39.855 38.487 0.075 0.000 1.120 164 N HN 0.792 nan 8.380 nan 0.000 0.505 165 M N 2.773 122.457 119.600 0.141 0.000 2.238 165 M HA 0.284 4.758 4.480 -0.010 0.000 0.350 165 M C -0.857 175.491 176.300 0.080 0.000 1.138 165 M CA -0.299 55.090 55.300 0.149 0.000 1.040 165 M CB 0.969 33.694 32.600 0.208 0.000 1.639 165 M HN 0.374 nan 8.290 nan 0.000 0.451 166 E N 3.201 123.436 120.200 0.058 0.000 2.234 166 E HA 0.453 4.797 4.350 -0.010 0.000 0.266 166 E C -1.473 174.969 176.600 -0.263 0.000 0.877 166 E CA -0.786 55.528 56.400 -0.144 0.000 0.758 166 E CB 2.730 32.304 29.700 -0.209 0.000 1.170 166 E HN 0.417 nan 8.360 nan 0.000 0.415 167 V N 3.858 123.556 119.914 -0.360 0.000 2.398 167 V HA 0.347 4.461 4.120 -0.010 0.000 0.286 167 V C -0.996 174.827 176.094 -0.451 0.000 1.026 167 V CA -0.634 61.473 62.300 -0.322 0.000 0.868 167 V CB 0.115 31.839 31.823 -0.165 0.000 0.982 167 V HN 0.562 nan 8.190 nan 0.000 0.443 168 Y N 2.167 122.425 120.300 -0.071 0.000 2.468 168 Y HA 0.417 4.961 4.550 -0.010 0.000 0.342 168 Y C 0.650 176.548 175.900 -0.003 0.000 1.021 168 Y CA -0.721 57.365 58.100 -0.023 0.000 1.079 168 Y CB 1.353 39.798 38.460 -0.025 0.000 1.226 168 Y HN 0.561 nan 8.280 nan 0.000 0.460 169 N N 0.920 119.716 118.700 0.161 0.000 2.354 169 N HA -0.038 4.696 4.740 -0.010 0.000 0.246 169 N C 1.059 176.560 175.510 -0.015 0.000 1.285 169 N CA -0.239 52.843 53.050 0.053 0.000 0.925 169 N CB 0.580 39.088 38.487 0.035 0.000 1.174 169 N HN 0.824 nan 8.380 nan 0.000 0.478 170 E N 0.640 120.764 120.200 -0.126 0.000 2.204 170 E HA -0.203 4.141 4.350 -0.010 0.000 0.195 170 E C 0.566 177.129 176.600 -0.062 0.000 0.990 170 E CA 0.952 57.284 56.400 -0.114 0.000 0.821 170 E CB 0.137 29.738 29.700 -0.164 0.000 0.750 170 E HN 0.577 nan 8.360 nan 0.000 0.477 171 E N -0.610 119.564 120.200 -0.044 0.000 2.445 171 E HA 0.040 4.384 4.350 -0.010 0.000 0.189 171 E C 1.057 177.655 176.600 -0.005 0.000 1.069 171 E CA 0.629 57.014 56.400 -0.024 0.000 0.871 171 E CB 0.483 30.172 29.700 -0.018 0.000 0.991 171 E HN 0.340 nan 8.360 nan 0.000 0.481 172 G N 1.416 110.219 108.800 0.005 0.000 2.184 172 G HA2 -0.309 3.645 3.960 -0.010 0.000 0.264 172 G HA3 -0.309 3.645 3.960 -0.010 0.000 0.264 172 G C 0.201 175.146 174.900 0.075 0.000 0.975 172 G CA 0.435 45.537 45.100 0.004 0.000 0.642 172 G HN 0.233 nan 8.290 nan 0.000 0.536 173 K N 1.032 121.494 120.400 0.103 0.000 2.267 173 K HA 0.467 4.781 4.320 -0.010 0.000 0.282 173 K C 0.626 177.337 176.600 0.186 0.000 1.078 173 K CA -0.567 55.796 56.287 0.127 0.000 0.903 173 K CB 0.786 33.327 32.500 0.068 0.000 1.111 173 K HN 0.336 nan 8.250 nan 0.000 0.475 174 K N 3.752 124.324 120.400 0.288 0.000 2.543 174 K HA -0.119 4.195 4.320 -0.010 0.000 0.279 174 K C 0.269 176.849 176.600 -0.033 0.000 1.001 174 K CA 0.409 56.733 56.287 0.061 0.000 1.088 174 K CB 0.317 32.820 32.500 0.005 0.000 0.863 174 K HN 0.578 nan 8.250 nan 0.000 0.488 175 L N 2.638 123.797 121.223 -0.106 0.000 2.116 175 L HA 0.051 4.386 4.340 -0.010 0.000 0.200 175 L C 0.927 177.747 176.870 -0.083 0.000 1.084 175 L CA 1.017 55.823 54.840 -0.056 0.000 0.766 175 L CB -0.135 41.907 42.059 -0.028 0.000 0.930 175 L HN 0.908 nan 8.230 nan 0.000 0.453 176 T N -4.888 109.587 114.554 -0.131 0.000 2.671 176 T HA 0.430 4.774 4.350 -0.010 0.000 0.300 176 T C -0.697 173.916 174.700 -0.146 0.000 1.238 176 T CA -0.661 61.373 62.100 -0.111 0.000 1.020 176 T CB 2.213 71.039 68.868 -0.071 0.000 1.503 176 T HN -0.023 nan 8.240 nan 0.000 0.497 177 S N -1.052 114.590 115.700 -0.097 0.000 2.677 177 S HA 0.885 5.349 4.470 -0.010 0.000 0.304 177 S C -1.212 173.355 174.600 -0.055 0.000 1.108 177 S CA -0.804 57.350 58.200 -0.076 0.000 0.944 177 S CB 1.144 64.309 63.200 -0.058 0.000 1.127 177 S HN 0.796 nan 8.310 nan 0.000 0.511 178 R N 0.498 120.977 120.500 -0.035 0.000 2.728 178 R HA 0.402 4.736 4.340 -0.010 0.000 0.274 178 R C -1.761 174.503 176.300 -0.061 0.000 1.030 178 R CA -0.773 55.278 56.100 -0.082 0.000 0.876 178 R CB 1.837 32.090 30.300 -0.077 0.000 1.259 178 R HN 0.731 nan 8.270 nan 0.000 0.468 179 E N 0.605 120.705 120.200 -0.167 0.000 2.266 179 E HA 0.479 4.824 4.350 -0.010 0.000 0.268 179 E C -1.630 174.810 176.600 -0.267 0.000 0.879 179 E CA -0.446 55.896 56.400 -0.097 0.000 0.762 179 E CB 1.633 31.294 29.700 -0.066 0.000 1.199 179 E HN 0.339 nan 8.360 nan 0.000 0.422 180 Y N 0.484 120.757 120.300 -0.044 0.000 2.698 180 Y HA 0.341 4.885 4.550 -0.010 0.000 0.332 180 Y C -0.628 175.180 175.900 -0.154 0.000 1.119 180 Y CA -0.697 57.301 58.100 -0.170 0.000 1.109 180 Y CB 2.041 40.317 38.460 -0.306 0.000 1.308 180 Y HN 0.391 nan 8.280 nan 0.000 0.499 181 E N 0.937 121.087 120.200 -0.084 0.000 2.502 181 E HA 0.283 4.627 4.350 -0.010 0.000 0.261 181 E C -2.061 174.457 176.600 -0.137 0.000 0.974 181 E CA -0.622 55.754 56.400 -0.041 0.000 0.795 181 E CB 0.780 30.468 29.700 -0.020 0.000 1.385 181 E HN 0.460 nan 8.360 nan 0.000 0.400 182 Y N 0.935 121.300 120.300 0.107 0.000 2.308 182 Y HA 0.329 4.873 4.550 -0.010 0.000 0.329 182 Y C 0.370 176.309 175.900 0.065 0.000 1.111 182 Y CA -1.003 57.142 58.100 0.076 0.000 1.179 182 Y CB 1.773 40.274 38.460 0.068 0.000 1.201 182 Y HN 0.393 nan 8.280 nan 0.000 0.483 183 V N 5.703 125.733 119.914 0.194 0.000 2.427 183 V HA 0.449 4.563 4.120 -0.010 0.000 0.286 183 V C -0.416 175.745 176.094 0.112 0.000 1.034 183 V CA -0.740 61.637 62.300 0.128 0.000 0.893 183 V CB 0.302 32.174 31.823 0.081 0.000 0.982 183 V HN 0.575 nan 8.190 nan 0.000 0.452 184 I N 5.187 125.809 120.570 0.087 0.000 2.797 184 I HA 0.602 4.766 4.170 -0.010 0.000 0.310 184 I C 0.599 176.740 176.117 0.041 0.000 0.990 184 I CA 0.074 61.407 61.300 0.055 0.000 1.228 184 I CB 1.185 39.212 38.000 0.044 0.000 1.406 184 I HN 0.666 nan 8.210 nan 0.000 0.534 185 S N 0.744 116.460 115.700 0.026 0.000 3.144 185 S HA 0.312 4.777 4.470 -0.010 0.000 0.325 185 S C -0.849 173.758 174.600 0.011 0.000 1.161 185 S CA -0.663 57.548 58.200 0.020 0.000 0.920 185 S CB 1.236 64.447 63.200 0.018 0.000 1.340 185 S HN 0.562 nan 8.310 nan 0.000 0.681 186 E N 2.280 122.485 120.200 0.008 0.000 2.217 186 E HA 0.160 4.504 4.350 -0.010 0.000 0.279 186 E C -1.025 175.575 176.600 -0.001 0.000 1.068 186 E CA 0.162 56.565 56.400 0.004 0.000 0.882 186 E CB 0.263 29.966 29.700 0.004 0.000 1.039 186 E HN 0.492 nan 8.360 nan 0.000 0.418 187 D N 3.186 123.584 120.400 -0.003 0.000 2.692 187 D HA -0.215 4.419 4.640 -0.010 0.000 0.233 187 D C -1.175 175.117 176.300 -0.013 0.000 1.172 187 D CA 1.185 55.181 54.000 -0.008 0.000 0.636 187 D CB -0.708 40.088 40.800 -0.007 0.000 1.028 187 D HN 0.554 nan 8.370 nan 0.000 0.419 188 E N 0.232 120.423 120.200 -0.015 0.000 2.293 188 E HA 0.695 5.039 4.350 -0.010 0.000 0.270 188 E C -0.971 175.608 176.600 -0.035 0.000 0.879 188 E CA -0.978 55.409 56.400 -0.021 0.000 0.756 188 E CB 1.700 31.393 29.700 -0.013 0.000 1.208 188 E HN 0.103 nan 8.360 nan 0.000 0.428 189 D N 1.861 122.230 120.400 -0.052 0.000 2.977 189 D HA 0.524 5.158 4.640 -0.010 0.000 0.220 189 D C -0.758 175.474 176.300 -0.113 0.000 1.267 189 D CA -0.807 53.145 54.000 -0.081 0.000 0.884 189 D CB 1.574 42.331 40.800 -0.071 0.000 1.667 189 D HN 0.485 nan 8.370 nan 0.000 0.536 190 R N 1.046 121.441 120.500 -0.175 0.000 2.707 190 R HA 0.523 4.857 4.340 -0.010 0.000 0.272 190 R C -2.886 173.144 176.300 -0.450 0.000 1.011 190 R CA -1.567 54.378 56.100 -0.258 0.000 0.893 190 R CB 1.600 31.770 30.300 -0.217 0.000 1.233 190 R HN 0.137 nan 8.270 nan 0.000 0.464 191 P HA -0.088 nan 4.420 nan 0.000 0.266 191 P C -0.243 176.170 177.300 -1.478 0.000 1.180 191 P CA 0.351 62.890 63.100 -0.936 0.000 0.765 191 P CB 0.107 31.165 31.700 -1.070 0.000 0.806 192 F N -0.312 119.528 119.950 -0.183 0.000 3.100 192 F HA -0.267 4.254 4.527 -0.010 0.000 0.283 192 F C 0.170 175.739 175.800 -0.386 0.000 0.841 192 F CA 0.591 58.442 58.000 -0.247 0.000 1.026 192 F CB -2.748 36.078 39.000 -0.290 0.000 1.209 192 F HN 0.097 nan 8.300 nan 0.000 0.487 193 V N -0.172 119.558 119.914 -0.307 0.000 3.159 193 V HA -0.053 4.061 4.120 -0.010 0.000 0.234 193 V C 2.420 178.411 176.094 -0.170 0.000 1.313 193 V CA 0.563 62.679 62.300 -0.307 0.000 1.271 193 V CB 0.020 31.625 31.823 -0.363 0.000 1.053 193 V HN 0.376 nan 8.190 nan 0.000 0.476 194 K N 0.860 121.156 120.400 -0.173 0.000 2.015 194 K HA -0.228 4.086 4.320 -0.010 0.000 0.220 194 K C 0.323 176.878 176.600 -0.074 0.000 1.055 194 K CA 2.215 58.434 56.287 -0.112 0.000 0.951 194 K CB -0.678 31.749 32.500 -0.122 0.000 0.725 194 K HN 0.332 nan 8.250 nan 0.000 0.449 195 D N 1.122 121.480 120.400 -0.070 0.000 2.545 195 D HA 0.155 4.789 4.640 -0.010 0.000 0.227 195 D C 0.014 176.301 176.300 -0.022 0.000 1.150 195 D CA 0.419 54.399 54.000 -0.033 0.000 1.046 195 D CB 0.632 41.422 40.800 -0.017 0.000 1.098 195 D HN 0.319 nan 8.370 nan 0.000 0.502 196 L N 1.138 122.349 121.223 -0.020 0.000 4.886 196 L HA -0.022 4.312 4.340 -0.010 0.000 0.518 196 L C -1.536 175.334 176.870 -0.001 0.000 0.845 196 L CA 0.063 54.899 54.840 -0.006 0.000 2.020 196 L CB 0.210 42.257 42.059 -0.020 0.000 1.591 196 L HN -0.086 nan 8.230 nan 0.000 0.535 197 V N 1.320 121.230 119.914 -0.006 0.000 2.347 197 V HA 0.765 4.879 4.120 -0.010 0.000 0.280 197 V C 1.214 177.309 176.094 0.002 0.000 1.021 197 V CA 0.338 62.638 62.300 -0.001 0.000 0.847 197 V CB 0.960 32.778 31.823 -0.008 0.000 0.990 197 V HN 0.449 nan 8.190 nan 0.000 0.444 198 G N 4.074 112.879 108.800 0.007 0.000 2.303 198 G HA2 -0.152 3.802 3.960 -0.010 0.000 0.260 198 G HA3 -0.152 3.802 3.960 -0.010 0.000 0.260 198 G C -0.206 174.698 174.900 0.007 0.000 1.106 198 G CA -0.336 44.767 45.100 0.006 0.000 0.900 198 G HN 0.503 nan 8.290 nan 0.000 0.495 199 K N -0.526 119.880 120.400 0.010 0.000 2.350 199 K HA 0.711 5.025 4.320 -0.010 0.000 0.241 199 K C 0.260 176.865 176.600 0.008 0.000 0.994 199 K CA -0.701 55.593 56.287 0.012 0.000 0.839 199 K CB 2.166 34.678 32.500 0.019 0.000 1.244 199 K HN 0.252 nan 8.250 nan 0.000 0.443 200 K N 0.705 121.108 120.400 0.005 0.000 2.331 200 K HA 0.314 4.628 4.320 -0.010 0.000 0.238 200 K C -0.440 176.157 176.600 -0.006 0.000 1.058 200 K CA -0.934 55.349 56.287 -0.006 0.000 0.871 200 K CB 1.597 34.092 32.500 -0.008 0.000 1.292 200 K HN 0.314 nan 8.250 nan 0.000 0.470 201 K N 0.556 120.942 120.400 -0.022 0.000 2.451 201 K HA -0.009 4.305 4.320 -0.010 0.000 0.280 201 K C 0.541 177.138 176.600 -0.004 0.000 1.020 201 K CA 1.426 57.700 56.287 -0.021 0.000 1.008 201 K CB 0.151 32.623 32.500 -0.046 0.000 0.917 201 K HN 0.780 nan 8.250 nan 0.000 0.478 202 G N 3.659 112.464 108.800 0.008 0.000 2.358 202 G HA2 -0.234 3.720 3.960 -0.010 0.000 0.224 202 G HA3 -0.234 3.720 3.960 -0.010 0.000 0.224 202 G C -0.264 174.650 174.900 0.023 0.000 1.073 202 G CA 0.124 45.233 45.100 0.016 0.000 0.635 202 G HN 0.717 nan 8.290 nan 0.000 0.509 203 D N 1.116 121.528 120.400 0.020 0.000 2.472 203 D HA 0.440 5.074 4.640 -0.010 0.000 0.237 203 D C 0.701 177.023 176.300 0.036 0.000 1.141 203 D CA 0.484 54.499 54.000 0.024 0.000 0.875 203 D CB 1.575 42.387 40.800 0.019 0.000 1.192 203 D HN 0.389 nan 8.370 nan 0.000 0.450 204 V N 1.897 121.835 119.914 0.039 0.000 3.019 204 V HA 0.659 4.773 4.120 -0.010 0.000 0.317 204 V C 0.213 176.339 176.094 0.052 0.000 1.094 204 V CA -0.761 61.570 62.300 0.052 0.000 1.000 204 V CB 2.389 34.245 31.823 0.054 0.000 1.060 204 V HN 0.269 nan 8.190 nan 0.000 0.443 205 V N 1.279 121.235 119.914 0.069 0.000 2.932 205 V HA 0.466 4.580 4.120 -0.010 0.000 0.307 205 V C -0.751 175.402 176.094 0.099 0.000 1.147 205 V CA -0.528 61.814 62.300 0.070 0.000 0.951 205 V CB 2.119 33.981 31.823 0.065 0.000 1.031 205 V HN 0.968 nan 8.190 nan 0.000 0.426 206 E N 3.524 123.781 120.200 0.095 0.000 2.593 206 E HA 0.379 4.723 4.350 -0.010 0.000 0.232 206 E C -1.121 175.564 176.600 0.141 0.000 1.026 206 E CA -0.585 55.890 56.400 0.125 0.000 0.772 206 E CB 1.282 31.034 29.700 0.085 0.000 1.310 206 E HN 0.673 nan 8.360 nan 0.000 0.413 207 I N 3.368 124.055 120.570 0.195 0.000 2.505 207 I HA -0.015 4.149 4.170 -0.010 0.000 0.287 207 I C -0.224 176.077 176.117 0.307 0.000 1.104 207 I CA 0.589 62.023 61.300 0.223 0.000 1.387 207 I CB 0.343 38.484 38.000 0.235 0.000 1.404 207 I HN 0.381 nan 8.210 nan 0.000 0.528 208 E N 7.980 128.304 120.200 0.206 0.000 2.070 208 E HA 0.370 4.714 4.350 -0.010 0.000 0.261 208 E C -0.628 176.068 176.600 0.159 0.000 0.926 208 E CA -0.518 55.992 56.400 0.184 0.000 0.760 208 E CB 0.905 30.658 29.700 0.088 0.000 1.133 208 E HN 0.517 nan 8.360 nan 0.000 0.420 209 R N 1.449 122.100 120.500 0.252 0.000 2.732 209 R HA 0.299 4.633 4.340 -0.010 0.000 0.278 209 R C -0.388 175.867 176.300 -0.076 0.000 0.976 209 R CA -0.649 55.479 56.100 0.047 0.000 0.963 209 R CB 1.848 32.157 30.300 0.014 0.000 1.150 209 R HN 0.344 nan 8.270 nan 0.000 0.478 210 E N 2.288 122.320 120.200 -0.279 0.000 2.151 210 E HA 0.233 4.577 4.350 -0.010 0.000 0.275 210 E C -1.460 174.959 176.600 -0.302 0.000 0.936 210 E CA -0.440 55.861 56.400 -0.165 0.000 0.777 210 E CB 0.919 30.567 29.700 -0.086 0.000 1.108 210 E HN 0.398 nan 8.360 nan 0.000 0.401 211 Y N 2.500 123.008 120.300 0.347 0.000 2.477 211 Y HA 0.162 4.706 4.550 -0.010 0.000 0.347 211 Y C 1.147 177.221 175.900 0.289 0.000 0.981 211 Y CA -0.755 57.519 58.100 0.289 0.000 1.033 211 Y CB 1.539 40.149 38.460 0.250 0.000 1.245 211 Y HN 0.630 nan 8.280 nan 0.000 0.455 212 E N 1.037 121.450 120.200 0.354 0.000 4.538 212 E HA -0.326 4.018 4.350 -0.010 0.000 0.191 212 E C 0.998 177.702 176.600 0.173 0.000 1.340 212 E CA 2.537 59.074 56.400 0.229 0.000 2.244 212 E CB -1.202 28.626 29.700 0.213 0.000 1.902 212 E HN 1.041 nan 8.360 nan 0.000 0.316 213 G N -0.111 108.807 108.800 0.197 0.000 2.482 213 G HA2 0.168 4.122 3.960 -0.010 0.000 0.184 213 G HA3 0.168 4.122 3.960 -0.010 0.000 0.184 213 G C 0.202 175.117 174.900 0.024 0.000 1.331 213 G CA 0.051 45.209 45.100 0.096 0.000 0.668 213 G HN 0.028 nan 8.290 nan 0.000 0.631 214 K N 0.754 121.109 120.400 -0.075 0.000 2.098 214 K HA 0.415 4.729 4.320 -0.010 0.000 0.244 214 K C -0.677 175.675 176.600 -0.414 0.000 1.014 214 K CA -0.591 55.521 56.287 -0.291 0.000 0.917 214 K CB 1.567 33.812 32.500 -0.425 0.000 1.072 214 K HN 0.026 nan 8.250 nan 0.000 0.477 215 K N 1.409 121.604 120.400 -0.342 0.000 2.349 215 K HA 0.120 4.435 4.320 -0.010 0.000 0.288 215 K C -1.195 175.197 176.600 -0.346 0.000 1.058 215 K CA 0.269 56.417 56.287 -0.231 0.000 0.953 215 K CB 0.065 32.488 32.500 -0.128 0.000 0.997 215 K HN 0.269 nan 8.250 nan 0.000 0.477 216 Y N 1.322 121.615 120.300 -0.011 0.000 2.409 216 Y HA 0.357 4.901 4.550 -0.010 0.000 0.339 216 Y C 0.091 175.874 175.900 -0.195 0.000 1.033 216 Y CA -0.794 57.234 58.100 -0.120 0.000 1.094 216 Y CB 2.282 40.651 38.460 -0.151 0.000 1.210 216 Y HN 0.400 nan 8.280 nan 0.000 0.456 217 T N 3.413 117.923 114.554 -0.072 0.000 2.809 217 T HA 0.351 4.695 4.350 -0.010 0.000 0.296 217 T C -1.287 173.440 174.700 0.045 0.000 1.015 217 T CA -0.700 61.413 62.100 0.023 0.000 0.954 217 T CB -0.272 68.643 68.868 0.078 0.000 0.950 217 T HN 0.300 nan 8.240 nan 0.000 0.450 218 Y N 2.453 122.903 120.300 0.249 0.000 2.434 218 Y HA 0.387 4.931 4.550 -0.010 0.000 0.341 218 Y C 0.709 176.734 175.900 0.208 0.000 0.965 218 Y CA -0.942 57.280 58.100 0.204 0.000 1.205 218 Y CB 0.836 39.375 38.460 0.131 0.000 1.121 218 Y HN 0.400 nan 8.280 nan 0.000 0.507 219 K N 3.823 124.461 120.400 0.397 0.000 2.297 219 K HA 0.450 4.765 4.320 -0.010 0.000 0.286 219 K C -1.503 175.234 176.600 0.230 0.000 1.053 219 K CA -0.490 55.986 56.287 0.316 0.000 0.940 219 K CB 0.420 33.176 32.500 0.427 0.000 1.019 219 K HN 0.614 nan 8.250 nan 0.000 0.475 220 L N 4.540 125.869 121.223 0.177 0.000 2.366 220 L HA 0.254 4.588 4.340 -0.010 0.000 0.266 220 L C -0.471 176.469 176.870 0.117 0.000 1.010 220 L CA -0.106 54.821 54.840 0.145 0.000 0.879 220 L CB 1.507 43.643 42.059 0.128 0.000 1.228 220 L HN 0.651 nan 8.230 nan 0.000 0.439 221 E N 2.574 122.842 120.200 0.112 0.000 2.200 221 E HA 0.310 4.654 4.350 -0.010 0.000 0.283 221 E C -0.848 175.806 176.600 0.089 0.000 1.015 221 E CA -0.716 55.737 56.400 0.089 0.000 0.819 221 E CB 1.420 31.168 29.700 0.080 0.000 1.081 221 E HN 0.254 nan 8.360 nan 0.000 0.397 222 V N 6.401 126.359 119.914 0.073 0.000 2.390 222 V HA -0.042 4.072 4.120 -0.010 0.000 0.260 222 V C 1.349 177.477 176.094 0.055 0.000 1.043 222 V CA 0.167 62.510 62.300 0.071 0.000 1.047 222 V CB 0.474 32.328 31.823 0.051 0.000 1.066 222 V HN 0.785 nan 8.190 nan 0.000 0.481 223 E N 3.038 123.280 120.200 0.071 0.000 2.077 223 E HA -0.046 4.298 4.350 -0.010 0.000 0.193 223 E C 0.656 177.272 176.600 0.026 0.000 0.989 223 E CA 1.022 57.457 56.400 0.058 0.000 0.800 223 E CB 0.419 30.168 29.700 0.080 0.000 0.746 223 E HN 0.730 nan 8.360 nan 0.000 0.452 224 E N -0.761 119.448 120.200 0.015 0.000 2.388 224 E HA 0.226 4.570 4.350 -0.010 0.000 0.281 224 E C -1.368 175.142 176.600 -0.149 0.000 1.046 224 E CA -0.286 56.034 56.400 -0.132 0.000 0.825 224 E CB 2.412 31.951 29.700 -0.269 0.000 1.243 224 E HN -0.191 nan 8.360 nan 0.000 0.438 225 V N 2.123 121.880 119.914 -0.262 0.000 2.612 225 V HA 0.527 4.642 4.120 -0.010 0.000 0.301 225 V C -0.953 174.898 176.094 -0.404 0.000 1.046 225 V CA -0.438 61.759 62.300 -0.171 0.000 0.946 225 V CB 0.879 32.656 31.823 -0.076 0.000 1.003 225 V HN 0.528 nan 8.190 nan 0.000 0.459 226 Y N 1.664 121.979 120.300 0.025 0.000 2.553 226 Y HA 0.573 5.118 4.550 -0.010 0.000 0.347 226 Y C -0.005 175.906 175.900 0.018 0.000 1.019 226 Y CA -1.520 56.591 58.100 0.018 0.000 1.032 226 Y CB 1.857 40.325 38.460 0.013 0.000 1.284 226 Y HN 0.678 nan 8.280 nan 0.000 0.466 227 K N 0.741 121.247 120.400 0.177 0.000 2.249 227 K HA 0.573 4.887 4.320 -0.010 0.000 0.280 227 K C -0.597 176.059 176.600 0.094 0.000 1.033 227 K CA -0.722 55.628 56.287 0.105 0.000 0.946 227 K CB 1.253 33.794 32.500 0.069 0.000 1.005 227 K HN 0.571 nan 8.250 nan 0.000 0.469 228 R N 1.677 122.219 120.500 0.069 0.000 2.477 228 R HA 0.239 4.574 4.340 -0.010 0.000 0.285 228 R C -1.365 174.959 176.300 0.040 0.000 1.415 228 R CA -0.235 55.897 56.100 0.054 0.000 1.446 228 R CB 0.067 30.401 30.300 0.057 0.000 1.110 228 R HN 0.872 nan 8.270 nan 0.000 0.590 229 T N 3.385 117.960 114.554 0.035 0.000 2.842 229 T HA 0.431 4.775 4.350 -0.010 0.000 0.308 229 T C 0.065 174.780 174.700 0.026 0.000 1.041 229 T CA -0.997 61.119 62.100 0.028 0.000 0.964 229 T CB 0.551 69.434 68.868 0.026 0.000 0.972 229 T HN 0.329 nan 8.240 nan 0.000 0.460 230 L N 1.373 122.611 121.223 0.024 0.000 2.418 230 L HA 0.662 4.996 4.340 -0.010 0.000 0.265 230 L C -2.507 174.377 176.870 0.022 0.000 1.143 230 L CA -2.377 52.478 54.840 0.025 0.000 0.809 230 L CB -0.845 41.228 42.059 0.023 0.000 1.124 230 L HN 0.220 nan 8.230 nan 0.000 0.456 231 P HA 0.041 nan 4.420 nan 0.000 0.264 231 P C -0.900 176.406 177.300 0.010 0.000 1.193 231 P CA 0.098 63.209 63.100 0.018 0.000 0.763 231 P CB 0.236 31.949 31.700 0.021 0.000 0.810 232 E N 3.621 123.825 120.200 0.008 0.000 2.331 232 E HA 0.196 4.541 4.350 -0.010 0.000 0.272 232 E C 0.368 176.968 176.600 0.000 0.000 1.036 232 E CA -0.950 55.453 56.400 0.004 0.000 0.864 232 E CB 0.762 30.465 29.700 0.005 0.000 1.035 232 E HN 0.399 nan 8.360 nan 0.000 0.408 233 I N 2.472 123.039 120.570 -0.004 0.000 3.209 233 I HA -0.019 4.145 4.170 -0.010 0.000 0.288 233 I C 0.883 176.996 176.117 -0.005 0.000 1.182 233 I CA 0.821 62.116 61.300 -0.008 0.000 1.472 233 I CB -0.766 37.227 38.000 -0.012 0.000 1.515 233 I HN 0.629 nan 8.210 nan 0.000 0.646 234 G N 3.748 112.547 108.800 -0.003 0.000 2.753 234 G HA2 0.275 4.229 3.960 -0.010 0.000 0.303 234 G HA3 0.275 4.229 3.960 -0.010 0.000 0.303 234 G C -0.423 174.481 174.900 0.006 0.000 1.242 234 G CA -0.361 44.739 45.100 0.000 0.000 0.810 234 G HN 0.379 nan 8.290 nan 0.000 0.515 235 D N -0.140 120.266 120.400 0.010 0.000 2.333 235 D HA 0.114 4.748 4.640 -0.010 0.000 0.208 235 D C 1.832 178.148 176.300 0.026 0.000 0.984 235 D CA 0.932 54.944 54.000 0.019 0.000 0.873 235 D CB 0.298 41.107 40.800 0.013 0.000 0.935 235 D HN 0.481 nan 8.370 nan 0.000 0.521 236 E N 0.532 120.743 120.200 0.018 0.000 2.418 236 E HA -0.058 4.286 4.350 -0.010 0.000 0.197 236 E C 1.705 178.314 176.600 0.015 0.000 1.026 236 E CA 0.349 56.760 56.400 0.018 0.000 0.862 236 E CB -0.482 29.227 29.700 0.015 0.000 0.799 236 E HN 0.282 nan 8.360 nan 0.000 0.518 237 L N 0.090 121.318 121.223 0.008 0.000 2.341 237 L HA 0.169 4.503 4.340 -0.010 0.000 0.214 237 L C 2.001 178.859 176.870 -0.021 0.000 1.115 237 L CA 0.701 55.531 54.840 -0.017 0.000 0.820 237 L CB -0.223 41.822 42.059 -0.023 0.000 0.944 237 L HN 0.302 nan 8.230 nan 0.000 0.452 238 A N -0.242 122.602 122.820 0.041 0.000 2.259 238 A HA -0.187 4.127 4.320 -0.010 0.000 0.212 238 A C 1.916 179.522 177.584 0.036 0.000 1.178 238 A CA 0.966 53.071 52.037 0.115 0.000 0.734 238 A CB -0.422 18.688 19.000 0.182 0.000 0.774 238 A HN 0.384 nan 8.150 nan 0.000 0.481 239 K N 0.618 121.019 120.400 0.001 0.000 2.519 239 K HA -0.102 4.212 4.320 -0.010 0.000 0.196 239 K C 2.104 178.676 176.600 -0.047 0.000 1.041 239 K CA 1.023 57.305 56.287 -0.008 0.000 0.954 239 K CB -0.156 32.359 32.500 0.024 0.000 0.774 239 K HN 0.715 nan 8.250 nan 0.000 0.480 240 S N 0.335 115.936 115.700 -0.165 0.000 2.368 240 S HA -0.088 4.377 4.470 -0.010 0.000 0.225 240 S C 0.961 175.416 174.600 -0.242 0.000 1.030 240 S CA 0.490 58.522 58.200 -0.281 0.000 0.999 240 S CB -0.232 62.684 63.200 -0.473 0.000 0.844 240 S HN -0.018 nan 8.310 nan 0.000 0.459 241 V N 2.978 122.650 119.914 -0.404 0.000 2.328 241 V HA 0.385 4.499 4.120 -0.010 0.000 0.278 241 V C 0.605 176.593 176.094 -0.178 0.000 1.021 241 V CA -0.811 61.261 62.300 -0.380 0.000 0.838 241 V CB 0.979 32.368 31.823 -0.723 0.000 0.999 241 V HN 0.186 nan 8.190 nan 0.000 0.447 242 N N 3.450 122.097 118.700 -0.089 0.000 2.043 242 N HA -0.100 4.634 4.740 -0.010 0.000 0.193 242 N C 1.005 176.512 175.510 -0.005 0.000 1.037 242 N CA 1.556 54.588 53.050 -0.031 0.000 0.851 242 N CB -0.144 38.331 38.487 -0.019 0.000 1.027 242 N HN 0.687 nan 8.380 nan 0.000 0.422 243 N N -0.023 118.676 118.700 -0.002 0.000 2.460 243 N HA 0.111 4.846 4.740 -0.010 0.000 0.296 243 N C 0.893 176.442 175.510 0.065 0.000 1.319 243 N CA -0.157 52.909 53.050 0.028 0.000 0.945 243 N CB 0.221 38.722 38.487 0.024 0.000 1.096 243 N HN -0.003 nan 8.380 nan 0.000 0.538 244 E N -1.233 119.029 120.200 0.104 0.000 3.414 244 E HA -0.247 4.097 4.350 -0.010 0.000 0.386 244 E C -0.517 176.266 176.600 0.304 0.000 1.447 244 E CA 1.534 58.062 56.400 0.212 0.000 1.430 244 E CB -1.156 28.710 29.700 0.277 0.000 1.533 244 E HN 0.356 nan 8.360 nan 0.000 0.423 245 F N 1.795 121.740 119.950 -0.009 0.000 2.572 245 F HA 0.143 4.664 4.527 -0.010 0.000 0.370 245 F C 1.743 177.536 175.800 -0.012 0.000 1.103 245 F CA 0.737 58.729 58.000 -0.013 0.000 1.286 245 F CB 0.314 39.301 39.000 -0.022 0.000 1.105 245 F HN 0.217 nan 8.300 nan 0.000 0.583 246 E N -0.294 119.978 120.200 0.121 0.000 2.576 246 E HA 0.060 4.404 4.350 -0.010 0.000 0.214 246 E C 0.216 176.833 176.600 0.029 0.000 0.859 246 E CA 0.243 56.681 56.400 0.063 0.000 1.399 246 E CB 0.665 30.386 29.700 0.035 0.000 1.374 246 E HN 0.583 nan 8.360 nan 0.000 0.718 247 T N -0.909 113.640 114.554 -0.008 0.000 2.932 247 T HA 0.407 4.751 4.350 -0.010 0.000 0.289 247 T C 0.805 175.484 174.700 -0.035 0.000 1.039 247 T CA -0.768 61.315 62.100 -0.028 0.000 1.024 247 T CB 2.230 71.066 68.868 -0.054 0.000 1.090 247 T HN -0.044 nan 8.240 nan 0.000 0.496 248 L N 0.866 122.075 121.223 -0.023 0.000 2.156 248 L HA 0.137 4.471 4.340 -0.010 0.000 0.208 248 L C 2.327 179.165 176.870 -0.053 0.000 1.095 248 L CA 1.645 56.474 54.840 -0.019 0.000 0.770 248 L CB -0.970 41.083 42.059 -0.011 0.000 0.914 248 L HN 0.852 nan 8.230 nan 0.000 0.439 249 E N -0.514 119.645 120.200 -0.069 0.000 2.085 249 E HA -0.304 4.040 4.350 -0.010 0.000 0.194 249 E C 2.165 178.677 176.600 -0.148 0.000 0.994 249 E CA 1.687 58.035 56.400 -0.086 0.000 0.801 249 E CB -0.309 29.347 29.700 -0.074 0.000 0.743 249 E HN 0.619 nan 8.360 nan 0.000 0.453 250 Q N -0.061 119.602 119.800 -0.228 0.000 2.297 250 Q HA -0.173 4.161 4.340 -0.010 0.000 0.208 250 Q C 2.004 177.639 176.000 -0.609 0.000 0.981 250 Q CA 0.774 56.302 55.803 -0.459 0.000 0.876 250 Q CB 0.013 28.389 28.738 -0.604 0.000 0.921 250 Q HN 0.225 nan 8.270 nan 0.000 0.446 251 L N 0.192 121.246 121.223 -0.281 0.000 2.116 251 L HA -0.056 4.278 4.340 -0.010 0.000 0.200 251 L C 1.858 178.721 176.870 -0.010 0.000 1.084 251 L CA 1.558 56.395 54.840 -0.004 0.000 0.766 251 L CB -0.211 41.933 42.059 0.141 0.000 0.930 251 L HN -0.118 nan 8.230 nan 0.000 0.453 252 K N -0.200 120.181 120.400 -0.031 0.000 1.965 252 K HA -0.263 4.051 4.320 -0.010 0.000 0.218 252 K C 2.010 178.592 176.600 -0.031 0.000 1.048 252 K CA 2.025 58.297 56.287 -0.027 0.000 0.960 252 K CB -0.444 32.038 32.500 -0.031 0.000 0.732 252 K HN 0.341 nan 8.250 nan 0.000 0.444 253 E N 0.629 120.796 120.200 -0.054 0.000 2.339 253 E HA -0.226 4.118 4.350 -0.010 0.000 0.201 253 E C 1.721 178.291 176.600 -0.050 0.000 1.015 253 E CA 1.477 57.845 56.400 -0.052 0.000 0.841 253 E CB 0.116 29.776 29.700 -0.068 0.000 0.754 253 E HN 0.372 nan 8.360 nan 0.000 0.508 254 S N -0.078 115.585 115.700 -0.062 0.000 2.324 254 S HA -0.060 4.404 4.470 -0.010 0.000 0.210 254 S C 2.043 176.662 174.600 0.032 0.000 1.027 254 S CA 0.245 58.426 58.200 -0.032 0.000 0.945 254 S CB -0.663 62.498 63.200 -0.065 0.000 0.908 254 S HN 0.266 nan 8.310 nan 0.000 0.496 255 L N 1.781 123.039 121.223 0.059 0.000 2.043 255 L HA -0.150 4.184 4.340 -0.010 0.000 0.212 255 L C 2.768 179.715 176.870 0.128 0.000 1.075 255 L CA 1.512 56.419 54.840 0.110 0.000 0.752 255 L CB -0.560 41.544 42.059 0.075 0.000 0.891 255 L HN 0.375 nan 8.230 nan 0.000 0.432 256 K N 0.389 120.829 120.400 0.068 0.000 2.207 256 K HA -0.242 4.072 4.320 -0.010 0.000 0.208 256 K C 0.648 177.281 176.600 0.055 0.000 1.046 256 K CA 1.680 58.001 56.287 0.056 0.000 0.929 256 K CB -0.103 32.405 32.500 0.014 0.000 0.720 256 K HN 0.329 nan 8.250 nan 0.000 0.463 257 K N -0.947 119.483 120.400 0.051 0.000 2.761 257 K HA 0.180 4.494 4.320 -0.010 0.000 0.196 257 K C 0.254 176.884 176.600 0.051 0.000 1.134 257 K CA -0.045 56.264 56.287 0.036 0.000 1.082 257 K CB 0.895 33.401 32.500 0.009 0.000 0.768 257 K HN 0.021 nan 8.250 nan 0.000 0.475 258 E N 0.367 120.621 120.200 0.090 0.000 2.102 258 E HA 0.014 4.358 4.350 -0.010 0.000 0.190 258 E C 1.494 178.153 176.600 0.100 0.000 0.971 258 E CA 0.777 57.237 56.400 0.100 0.000 0.821 258 E CB 0.183 29.961 29.700 0.131 0.000 0.777 258 E HN 0.425 nan 8.360 nan 0.000 0.460 259 G N 1.059 109.947 108.800 0.147 0.000 3.181 259 G HA2 -0.122 3.832 3.960 -0.010 0.000 0.219 259 G HA3 -0.122 3.832 3.960 -0.010 0.000 0.219 259 G C 1.137 175.964 174.900 -0.121 0.000 1.182 259 G CA -0.205 44.864 45.100 -0.052 0.000 0.791 259 G HN 0.004 nan 8.290 nan 0.000 0.537 260 K N 0.465 120.858 120.400 -0.012 0.000 2.283 260 K HA -0.049 4.265 4.320 -0.010 0.000 0.202 260 K C 1.729 178.346 176.600 0.027 0.000 1.048 260 K CA 0.743 57.036 56.287 0.009 0.000 0.948 260 K CB 0.131 32.638 32.500 0.012 0.000 0.742 260 K HN 0.087 nan 8.250 nan 0.000 0.458 261 E N 0.660 120.861 120.200 0.003 0.000 2.268 261 E HA -0.082 4.262 4.350 -0.010 0.000 0.195 261 E C 1.551 178.139 176.600 -0.020 0.000 0.995 261 E CA 0.690 57.090 56.400 0.001 0.000 0.836 261 E CB 0.007 29.709 29.700 0.004 0.000 0.763 261 E HN 0.380 nan 8.360 nan 0.000 0.491 262 I N -1.141 119.396 120.570 -0.055 0.000 2.585 262 I HA -0.153 4.011 4.170 -0.010 0.000 0.254 262 I C 1.787 177.877 176.117 -0.044 0.000 1.129 262 I CA 0.384 61.636 61.300 -0.081 0.000 1.455 262 I CB -0.049 37.846 38.000 -0.175 0.000 1.111 262 I HN 0.059 nan 8.210 nan 0.000 0.433 263 Y N 1.619 121.844 120.300 -0.126 0.000 2.333 263 Y HA -0.282 4.262 4.550 -0.010 0.000 0.290 263 Y C 1.878 177.743 175.900 -0.059 0.000 1.144 263 Y CA 1.599 59.647 58.100 -0.087 0.000 1.228 263 Y CB -0.188 38.227 38.460 -0.076 0.000 0.985 263 Y HN 0.185 nan 8.280 nan 0.000 0.542 264 D N -1.079 119.357 120.400 0.061 0.000 2.265 264 D HA -0.158 4.476 4.640 -0.010 0.000 0.208 264 D C 1.756 178.014 176.300 -0.070 0.000 0.977 264 D CA 1.596 55.600 54.000 0.008 0.000 0.871 264 D CB 0.161 40.974 40.800 0.022 0.000 0.925 264 D HN 0.291 nan 8.370 nan 0.000 0.485 265 V N -0.786 119.071 119.914 -0.095 0.000 2.939 265 V HA 0.018 4.133 4.120 -0.010 0.000 0.228 265 V C 2.108 178.117 176.094 -0.141 0.000 1.162 265 V CA -0.001 62.238 62.300 -0.100 0.000 1.222 265 V CB -0.617 31.166 31.823 -0.068 0.000 1.053 265 V HN -0.094 nan 8.190 nan 0.000 0.504 266 E N 0.212 120.325 120.200 -0.145 0.000 2.164 266 E HA -0.334 4.010 4.350 -0.010 0.000 0.206 266 E C 1.970 178.443 176.600 -0.212 0.000 1.032 266 E CA 2.289 58.599 56.400 -0.151 0.000 0.832 266 E CB -0.300 29.323 29.700 -0.128 0.000 0.742 266 E HN 0.455 nan 8.360 nan 0.000 0.460 267 M N 0.853 120.235 119.600 -0.362 0.000 2.062 267 M HA -0.104 4.370 4.480 -0.010 0.000 0.259 267 M C 1.967 178.120 176.300 -0.245 0.000 1.076 267 M CA 1.709 56.753 55.300 -0.428 0.000 1.122 267 M CB -0.288 31.766 32.600 -0.910 0.000 1.312 267 M HN -0.149 nan 8.290 nan 0.000 0.412 268 K N -0.145 120.131 120.400 -0.207 0.000 2.077 268 K HA -0.267 4.047 4.320 -0.010 0.000 0.213 268 K C 1.942 178.478 176.600 -0.106 0.000 1.051 268 K CA 2.341 58.553 56.287 -0.125 0.000 0.929 268 K CB -0.345 32.097 32.500 -0.096 0.000 0.715 268 K HN 0.542 nan 8.250 nan 0.000 0.451 269 E N -0.075 120.059 120.200 -0.111 0.000 2.047 269 E HA -0.167 4.177 4.350 -0.010 0.000 0.191 269 E C 2.143 178.694 176.600 -0.082 0.000 0.987 269 E CA 1.325 57.671 56.400 -0.090 0.000 0.799 269 E CB -0.090 29.558 29.700 -0.086 0.000 0.752 269 E HN 0.223 nan 8.360 nan 0.000 0.449 270 S N 0.561 116.205 115.700 -0.094 0.000 2.356 270 S HA -0.190 4.274 4.470 -0.010 0.000 0.223 270 S C 2.100 176.661 174.600 -0.065 0.000 1.032 270 S CA 1.101 59.255 58.200 -0.076 0.000 1.005 270 S CB -0.120 63.028 63.200 -0.087 0.000 0.867 270 S HN 0.137 nan 8.310 nan 0.000 0.449 271 M N 0.741 120.294 119.600 -0.077 0.000 2.073 271 M HA -0.144 4.331 4.480 -0.010 0.000 0.258 271 M C 2.584 178.854 176.300 -0.049 0.000 1.070 271 M CA 1.731 56.996 55.300 -0.058 0.000 1.103 271 M CB -0.826 31.735 32.600 -0.064 0.000 1.321 271 M HN 0.390 nan 8.290 nan 0.000 0.405 272 R N 0.259 120.724 120.500 -0.058 0.000 2.112 272 R HA -0.201 4.133 4.340 -0.010 0.000 0.242 272 R C 2.022 178.294 176.300 -0.047 0.000 1.137 272 R CA 1.987 58.053 56.100 -0.056 0.000 0.944 272 R CB -0.391 29.869 30.300 -0.067 0.000 0.857 272 R HN 0.518 nan 8.270 nan 0.000 0.435 273 E N 0.031 120.204 120.200 -0.045 0.000 2.150 273 E HA -0.198 4.146 4.350 -0.010 0.000 0.193 273 E C 2.137 178.725 176.600 -0.021 0.000 0.985 273 E CA 0.868 57.249 56.400 -0.032 0.000 0.814 273 E CB 0.059 29.740 29.700 -0.031 0.000 0.752 273 E HN 0.373 nan 8.360 nan 0.000 0.466 274 Q N 0.462 120.248 119.800 -0.023 0.000 1.975 274 Q HA -0.196 4.138 4.340 -0.010 0.000 0.205 274 Q C 2.332 178.325 176.000 -0.012 0.000 0.990 274 Q CA 1.338 57.132 55.803 -0.015 0.000 0.845 274 Q CB -0.219 28.509 28.738 -0.017 0.000 0.913 274 Q HN 0.193 nan 8.270 nan 0.000 0.420 275 L N 0.727 121.940 121.223 -0.018 0.000 2.013 275 L HA -0.224 4.110 4.340 -0.010 0.000 0.212 275 L C 2.150 179.013 176.870 -0.012 0.000 1.073 275 L CA 1.604 56.435 54.840 -0.016 0.000 0.753 275 L CB -0.736 41.309 42.059 -0.023 0.000 0.890 275 L HN 0.324 nan 8.230 nan 0.000 0.432 276 L N -0.217 120.996 121.223 -0.018 0.000 1.990 276 L HA -0.239 4.095 4.340 -0.010 0.000 0.213 276 L C 2.553 179.426 176.870 0.005 0.000 1.072 276 L CA 2.408 57.241 54.840 -0.012 0.000 0.755 276 L CB -1.097 40.951 42.059 -0.019 0.000 0.889 276 L HN 0.545 nan 8.230 nan 0.000 0.432 277 E N 0.067 120.271 120.200 0.005 0.000 2.077 277 E HA -0.247 4.097 4.350 -0.010 0.000 0.193 277 E C 2.022 178.630 176.600 0.013 0.000 0.989 277 E CA 1.425 57.833 56.400 0.014 0.000 0.800 277 E CB -0.075 29.633 29.700 0.012 0.000 0.746 277 E HN 0.608 nan 8.360 nan 0.000 0.452 278 K N 0.292 120.696 120.400 0.007 0.000 2.365 278 K HA -0.077 4.237 4.320 -0.010 0.000 0.199 278 K C 2.132 178.736 176.600 0.008 0.000 1.045 278 K CA 0.065 56.356 56.287 0.007 0.000 0.962 278 K CB -0.052 32.450 32.500 0.003 0.000 0.759 278 K HN 0.072 nan 8.250 nan 0.000 0.469 279 L N 1.810 123.039 121.223 0.009 0.000 2.051 279 L HA -0.160 4.174 4.340 -0.010 0.000 0.214 279 L C -1.146 175.733 176.870 0.015 0.000 1.076 279 L CA 1.918 56.765 54.840 0.011 0.000 0.758 279 L CB -1.100 40.966 42.059 0.013 0.000 0.890 279 L HN 0.061 nan 8.230 nan 0.000 0.433 280 P HA -0.166 nan 4.420 nan 0.000 0.221 280 P C 1.235 178.543 177.300 0.013 0.000 1.145 280 P CA 1.222 64.333 63.100 0.018 0.000 0.795 280 P CB -0.013 31.699 31.700 0.019 0.000 0.775 281 E N -0.350 119.856 120.200 0.010 0.000 2.150 281 E HA -0.119 4.225 4.350 -0.010 0.000 0.193 281 E C 1.718 178.322 176.600 0.006 0.000 0.985 281 E CA 0.911 57.316 56.400 0.007 0.000 0.814 281 E CB -0.472 29.232 29.700 0.006 0.000 0.752 281 E HN 0.424 nan 8.360 nan 0.000 0.466 282 I N -2.519 118.055 120.570 0.007 0.000 3.883 282 I HA 0.129 4.293 4.170 -0.010 0.000 0.326 282 I C -0.005 176.116 176.117 0.008 0.000 1.283 282 I CA -0.201 61.103 61.300 0.006 0.000 1.161 282 I CB 0.726 38.729 38.000 0.005 0.000 1.012 282 I HN -0.267 nan 8.210 nan 0.000 0.421 283 V N 2.298 122.218 119.914 0.010 0.000 2.357 283 V HA 0.331 4.445 4.120 -0.010 0.000 0.284 283 V C -0.326 175.775 176.094 0.012 0.000 1.018 283 V CA -0.420 61.888 62.300 0.013 0.000 0.841 283 V CB 1.316 33.150 31.823 0.019 0.000 0.991 283 V HN 0.314 nan 8.190 nan 0.000 0.437 284 E N 4.900 125.106 120.200 0.010 0.000 2.197 284 E HA 0.632 4.976 4.350 -0.010 0.000 0.281 284 E C -0.960 175.645 176.600 0.009 0.000 0.995 284 E CA -0.296 56.109 56.400 0.008 0.000 0.808 284 E CB 1.653 31.356 29.700 0.005 0.000 1.093 284 E HN 0.689 nan 8.360 nan 0.000 0.394 285 I N 2.699 123.274 120.570 0.008 0.000 3.023 285 I HA 0.387 4.551 4.170 -0.010 0.000 0.312 285 I C -0.910 175.210 176.117 0.004 0.000 1.056 285 I CA -0.960 60.346 61.300 0.009 0.000 1.033 285 I CB 1.722 39.728 38.000 0.011 0.000 1.233 285 I HN 0.602 nan 8.210 nan 0.000 0.462 286 E N 4.863 125.065 120.200 0.003 0.000 3.568 286 E HA 0.352 4.696 4.350 -0.010 0.000 0.213 286 E C -0.776 175.822 176.600 -0.004 0.000 1.197 286 E CA -0.115 56.283 56.400 -0.002 0.000 1.126 286 E CB 1.013 30.710 29.700 -0.006 0.000 1.285 286 E HN 0.390 nan 8.360 nan 0.000 0.418 287 I N 1.035 121.606 120.570 0.001 0.000 2.428 287 I HA 0.178 4.342 4.170 -0.010 0.000 0.289 287 I C 0.233 176.352 176.117 0.002 0.000 1.019 287 I CA -0.189 61.114 61.300 0.005 0.000 1.351 287 I CB 0.977 38.985 38.000 0.013 0.000 1.412 287 I HN 0.238 nan 8.210 nan 0.000 0.513 288 S N 4.848 120.547 115.700 -0.002 0.000 2.562 288 S HA 0.036 4.500 4.470 -0.010 0.000 0.281 288 S C 0.880 175.494 174.600 0.025 0.000 1.333 288 S CA -0.409 57.788 58.200 -0.004 0.000 1.052 288 S CB 0.542 63.716 63.200 -0.044 0.000 0.884 288 S HN 0.701 nan 8.310 nan 0.000 0.506 289 D N 3.529 123.939 120.400 0.017 0.000 2.218 289 D HA -0.093 4.541 4.640 -0.010 0.000 0.204 289 D C 1.857 178.179 176.300 0.037 0.000 0.976 289 D CA 0.831 54.843 54.000 0.020 0.000 0.853 289 D CB -0.155 40.650 40.800 0.009 0.000 0.939 289 D HN 0.570 nan 8.370 nan 0.000 0.481 290 R N 0.759 121.297 120.500 0.063 0.000 2.075 290 R HA -0.052 4.282 4.340 -0.010 0.000 0.232 290 R C 1.969 178.362 176.300 0.154 0.000 1.126 290 R CA 1.529 57.694 56.100 0.109 0.000 0.963 290 R CB -0.697 29.694 30.300 0.152 0.000 0.858 290 R HN 0.037 nan 8.270 nan 0.000 0.435 291 T N 0.924 115.611 114.554 0.221 0.000 2.867 291 T HA -0.042 4.302 4.350 -0.010 0.000 0.268 291 T C 1.716 176.458 174.700 0.070 0.000 1.057 291 T CA 1.207 63.438 62.100 0.219 0.000 1.136 291 T CB -0.129 68.903 68.868 0.272 0.000 0.874 291 T HN 0.111 nan 8.240 nan 0.000 0.466 292 L N 0.738 121.990 121.223 0.047 0.000 1.976 292 L HA -0.108 4.226 4.340 -0.010 0.000 0.209 292 L C 2.817 179.684 176.870 -0.005 0.000 1.071 292 L CA 1.567 56.414 54.840 0.012 0.000 0.746 292 L CB -0.537 41.525 42.059 0.006 0.000 0.890 292 L HN 0.255 nan 8.230 nan 0.000 0.432 293 E N 0.139 120.338 120.200 -0.001 0.000 2.097 293 E HA -0.265 4.079 4.350 -0.010 0.000 0.196 293 E C 2.194 178.777 176.600 -0.029 0.000 1.000 293 E CA 1.587 57.979 56.400 -0.014 0.000 0.804 293 E CB -0.196 29.502 29.700 -0.004 0.000 0.740 293 E HN 0.480 nan 8.360 nan 0.000 0.454 294 I N 0.525 121.071 120.570 -0.040 0.000 2.202 294 I HA -0.263 3.901 4.170 -0.010 0.000 0.242 294 I C 2.315 178.391 176.117 -0.069 0.000 1.091 294 I CA 0.896 62.150 61.300 -0.076 0.000 1.368 294 I CB -0.152 37.755 38.000 -0.154 0.000 1.058 294 I HN 0.077 nan 8.210 nan 0.000 0.410 295 L N -0.169 121.021 121.223 -0.057 0.000 2.093 295 L HA -0.171 4.163 4.340 -0.010 0.000 0.208 295 L C 2.508 179.354 176.870 -0.039 0.000 1.085 295 L CA 0.892 55.705 54.840 -0.045 0.000 0.755 295 L CB -0.422 41.618 42.059 -0.033 0.000 0.904 295 L HN 0.050 nan 8.230 nan 0.000 0.435 296 V N 0.008 119.898 119.914 -0.041 0.000 2.295 296 V HA -0.277 3.837 4.120 -0.010 0.000 0.246 296 V C 2.168 178.235 176.094 -0.044 0.000 1.049 296 V CA 1.867 64.137 62.300 -0.050 0.000 1.024 296 V CB -0.556 31.233 31.823 -0.057 0.000 0.648 296 V HN 0.496 nan 8.190 nan 0.000 0.447 297 N N -0.266 118.410 118.700 -0.041 0.000 2.244 297 N HA -0.143 4.591 4.740 -0.010 0.000 0.183 297 N C 1.866 177.351 175.510 -0.042 0.000 1.016 297 N CA 1.158 54.185 53.050 -0.038 0.000 0.866 297 N CB -0.192 38.271 38.487 -0.039 0.000 0.980 297 N HN 0.577 nan 8.380 nan 0.000 0.430 298 E N 0.339 120.513 120.200 -0.043 0.000 2.072 298 E HA -0.031 4.313 4.350 -0.010 0.000 0.191 298 E C 1.796 178.380 176.600 -0.027 0.000 0.985 298 E CA 0.920 57.296 56.400 -0.041 0.000 0.801 298 E CB 0.013 29.686 29.700 -0.046 0.000 0.750 298 E HN 0.344 nan 8.360 nan 0.000 0.452 299 A N 0.719 123.528 122.820 -0.017 0.000 1.902 299 A HA -0.166 4.148 4.320 -0.010 0.000 0.217 299 A C 2.117 179.721 177.584 0.032 0.000 1.181 299 A CA 1.086 53.129 52.037 0.009 0.000 0.623 299 A CB -0.490 18.515 19.000 0.009 0.000 0.818 299 A HN 0.251 nan 8.150 nan 0.000 0.443 300 I N -0.080 120.500 120.570 0.017 0.000 2.286 300 I HA -0.197 3.967 4.170 -0.010 0.000 0.245 300 I C 1.707 177.760 176.117 -0.107 0.000 1.104 300 I CA 0.996 62.309 61.300 0.021 0.000 1.397 300 I CB -0.333 37.684 38.000 0.028 0.000 1.072 300 I HN 0.300 nan 8.210 nan 0.000 0.417 301 N N 0.472 119.115 118.700 -0.095 0.000 2.459 301 N HA -0.122 4.612 4.740 -0.010 0.000 0.181 301 N C 1.801 177.261 175.510 -0.085 0.000 1.046 301 N CA 0.667 53.647 53.050 -0.117 0.000 0.904 301 N CB -0.246 38.190 38.487 -0.084 0.000 0.964 301 N HN 0.341 nan 8.380 nan 0.000 0.444 302 R N 0.758 121.230 120.500 -0.047 0.000 2.100 302 R HA 0.149 4.483 4.340 -0.010 0.000 0.220 302 R C 2.023 178.321 176.300 -0.004 0.000 1.091 302 R CA 0.207 56.294 56.100 -0.021 0.000 0.986 302 R CB -0.182 30.115 30.300 -0.005 0.000 0.888 302 R HN 0.138 nan 8.270 nan 0.000 0.444 303 L N 0.955 122.188 121.223 0.017 0.000 2.127 303 L HA -0.198 4.136 4.340 -0.010 0.000 0.211 303 L C 2.333 179.219 176.870 0.027 0.000 1.089 303 L CA 1.571 56.455 54.840 0.073 0.000 0.757 303 L CB -0.162 42.014 42.059 0.195 0.000 0.899 303 L HN 0.156 nan 8.230 nan 0.000 0.434 304 K N -0.705 119.621 120.400 -0.124 0.000 2.031 304 K HA -0.090 4.224 4.320 -0.010 0.000 0.205 304 K C 2.209 178.777 176.600 -0.052 0.000 1.049 304 K CA 0.919 57.105 56.287 -0.168 0.000 0.939 304 K CB -0.026 32.293 32.500 -0.302 0.000 0.717 304 K HN 0.187 nan 8.250 nan 0.000 0.438 305 R N 0.965 121.439 120.500 -0.043 0.000 2.120 305 R HA -0.134 4.200 4.340 -0.010 0.000 0.234 305 R C 1.905 178.206 176.300 0.001 0.000 1.123 305 R CA 1.378 57.466 56.100 -0.019 0.000 0.975 305 R CB -0.136 30.152 30.300 -0.020 0.000 0.866 305 R HN 0.350 nan 8.270 nan 0.000 0.446 306 E N -1.179 119.028 120.200 0.013 0.000 2.011 306 E HA -0.019 4.325 4.350 -0.010 0.000 0.191 306 E C 1.455 178.072 176.600 0.029 0.000 0.980 306 E CA 1.267 57.681 56.400 0.023 0.000 0.814 306 E CB 0.103 29.822 29.700 0.031 0.000 0.775 306 E HN 0.474 nan 8.360 nan 0.000 0.454 307 G N -0.586 108.242 108.800 0.046 0.000 3.382 307 G HA2 -0.149 3.805 3.960 -0.010 0.000 0.214 307 G HA3 -0.149 3.805 3.960 -0.010 0.000 0.214 307 G C 0.470 175.408 174.900 0.063 0.000 1.025 307 G CA -0.376 44.755 45.100 0.052 0.000 0.869 307 G HN -0.021 nan 8.290 nan 0.000 0.458 308 R N 0.606 121.139 120.500 0.055 0.000 4.160 308 R HA 0.232 4.566 4.340 -0.010 0.000 0.216 308 R C 1.028 177.364 176.300 0.060 0.000 2.009 308 R CA 0.225 56.344 56.100 0.033 0.000 1.664 308 R CB -0.361 29.954 30.300 0.024 0.000 1.216 308 R HN 0.562 nan 8.270 nan 0.000 0.648 309 Y N 0.760 121.022 120.300 -0.063 0.000 2.333 309 Y HA 0.049 4.593 4.550 -0.010 0.000 0.287 309 Y C 1.738 177.551 175.900 -0.145 0.000 1.149 309 Y CA 0.772 58.817 58.100 -0.091 0.000 1.193 309 Y CB 0.349 38.791 38.460 -0.030 0.000 1.175 309 Y HN -0.011 nan 8.280 nan 0.000 0.518 310 E N 0.542 120.617 120.200 -0.209 0.000 2.472 310 E HA -0.200 4.144 4.350 -0.010 0.000 0.200 310 E C 1.596 178.053 176.600 -0.239 0.000 1.046 310 E CA 0.930 57.150 56.400 -0.299 0.000 0.871 310 E CB -0.071 29.572 29.700 -0.094 0.000 0.806 310 E HN 0.536 nan 8.360 nan 0.000 0.533 311 Q N 0.502 120.184 119.800 -0.197 0.000 2.137 311 Q HA -0.046 4.288 4.340 -0.010 0.000 0.198 311 Q C 1.714 177.553 176.000 -0.269 0.000 0.960 311 Q CA 1.064 56.760 55.803 -0.178 0.000 0.847 311 Q CB 0.231 28.900 28.738 -0.115 0.000 0.915 311 Q HN 0.161 nan 8.270 nan 0.000 0.448 312 I N -1.002 119.345 120.570 -0.371 0.000 3.194 312 I HA 0.013 4.177 4.170 -0.010 0.000 0.271 312 I C 2.115 177.817 176.117 -0.692 0.000 1.150 312 I CA 0.452 61.444 61.300 -0.513 0.000 1.440 312 I CB -1.237 36.489 38.000 -0.456 0.000 1.276 312 I HN 0.122 nan 8.210 nan 0.000 0.457 313 V N 0.832 120.225 119.914 -0.868 0.000 2.343 313 V HA -0.128 3.986 4.120 -0.010 0.000 0.247 313 V C 1.519 177.351 176.094 -0.436 0.000 1.051 313 V CA 1.662 63.464 62.300 -0.830 0.000 1.036 313 V CB -0.092 31.087 31.823 -1.073 0.000 0.654 313 V HN 0.327 nan 8.190 nan 0.000 0.451 314 S N 0.436 115.886 115.700 -0.416 0.000 3.324 314 S HA 0.315 4.779 4.470 -0.010 0.000 0.229 314 S C 0.465 174.948 174.600 -0.196 0.000 1.417 314 S CA 0.396 58.452 58.200 -0.240 0.000 1.211 314 S CB 0.220 63.297 63.200 -0.205 0.000 1.157 314 S HN 0.565 nan 8.310 nan 0.000 0.491 315 S N -0.329 115.250 115.700 -0.202 0.000 2.865 315 S HA 0.255 4.719 4.470 -0.010 0.000 0.229 315 S C -0.689 173.837 174.600 -0.123 0.000 0.759 315 S CA -0.348 57.749 58.200 -0.172 0.000 1.142 315 S CB 0.113 63.170 63.200 -0.238 0.000 1.380 315 S HN 0.527 nan 8.310 nan 0.000 0.525 316 Y N 1.662 121.906 120.300 -0.092 0.000 3.213 316 Y HA 0.478 5.022 4.550 -0.010 0.000 0.168 316 Y C 1.694 177.584 175.900 -0.016 0.000 0.880 316 Y CA -0.109 57.965 58.100 -0.043 0.000 1.806 316 Y CB 0.081 38.526 38.460 -0.025 0.000 1.369 316 Y HN 0.149 nan 8.280 nan 0.000 0.377 317 E N -1.902 118.404 120.200 0.177 0.000 3.566 317 E HA 0.247 4.591 4.350 -0.010 0.000 0.241 317 E C 0.116 176.753 176.600 0.060 0.000 1.208 317 E CA 0.657 57.104 56.400 0.078 0.000 1.773 317 E CB 1.452 31.172 29.700 0.033 0.000 1.818 317 E HN 0.146 nan 8.360 nan 0.000 0.865 318 S N -0.352 115.394 115.700 0.077 0.000 4.323 318 S HA 0.253 4.717 4.470 -0.010 0.000 0.245 318 S C 0.685 175.333 174.600 0.080 0.000 1.102 318 S CA -0.638 57.599 58.200 0.062 0.000 1.550 318 S CB 1.352 64.586 63.200 0.057 0.000 1.359 318 S HN 0.144 nan 8.310 nan 0.000 0.725 319 E N 0.563 120.824 120.200 0.102 0.000 2.629 319 E HA 0.225 4.569 4.350 -0.010 0.000 0.197 319 E C 1.440 178.159 176.600 0.199 0.000 0.955 319 E CA 0.048 56.538 56.400 0.150 0.000 1.191 319 E CB 0.041 29.816 29.700 0.124 0.000 1.175 319 E HN 0.511 nan 8.360 nan 0.000 0.501 320 E N 0.386 120.663 120.200 0.129 0.000 2.268 320 E HA -0.140 4.204 4.350 -0.010 0.000 0.195 320 E C 1.506 178.156 176.600 0.082 0.000 0.995 320 E CA 0.818 57.276 56.400 0.097 0.000 0.836 320 E CB 0.328 30.065 29.700 0.061 0.000 0.763 320 E HN -0.019 nan 8.360 nan 0.000 0.491 321 K N -0.201 120.260 120.400 0.101 0.000 2.186 321 K HA -0.075 4.239 4.320 -0.010 0.000 0.202 321 K C 1.805 178.465 176.600 0.099 0.000 1.052 321 K CA 0.480 56.809 56.287 0.070 0.000 0.965 321 K CB -0.555 31.975 32.500 0.051 0.000 0.746 321 K HN 0.166 nan 8.250 nan 0.000 0.457 322 F N 3.250 123.228 119.950 0.047 0.000 2.171 322 F HA -0.117 4.405 4.527 -0.008 0.000 0.300 322 F C 2.011 177.864 175.800 0.087 0.000 1.090 322 F CA 1.260 59.315 58.000 0.092 0.000 1.293 322 F CB -0.006 39.091 39.000 0.162 0.000 1.013 322 F HN -0.125 nan 8.300 nan 0.000 0.486 323 R N 0.309 120.719 120.500 -0.149 0.000 2.091 323 R HA -0.195 4.139 4.340 -0.010 0.000 0.238 323 R C 2.326 178.511 176.300 -0.192 0.000 1.136 323 R CA 1.649 57.612 56.100 -0.229 0.000 0.959 323 R CB -0.958 29.323 30.300 -0.032 0.000 0.856 323 R HN 0.455 nan 8.270 nan 0.000 0.437 324 E N 1.046 121.186 120.200 -0.099 0.000 2.058 324 E HA -0.227 4.118 4.350 -0.010 0.000 0.194 324 E C 1.856 178.394 176.600 -0.102 0.000 0.997 324 E CA 1.132 57.486 56.400 -0.077 0.000 0.801 324 E CB 0.133 29.810 29.700 -0.038 0.000 0.746 324 E HN 0.213 nan 8.360 nan 0.000 0.450 325 E N 0.555 120.684 120.200 -0.118 0.000 2.106 325 E HA -0.146 4.198 4.350 -0.010 0.000 0.192 325 E C 2.180 178.702 176.600 -0.130 0.000 0.984 325 E CA 0.421 56.762 56.400 -0.098 0.000 0.806 325 E CB -0.164 29.508 29.700 -0.047 0.000 0.750 325 E HN 0.247 nan 8.360 nan 0.000 0.458 326 L N 1.389 122.429 121.223 -0.304 0.000 2.109 326 L HA -0.082 4.252 4.340 -0.010 0.000 0.207 326 L C 2.307 179.084 176.870 -0.156 0.000 1.086 326 L CA 1.715 56.381 54.840 -0.291 0.000 0.760 326 L CB -0.366 41.329 42.059 -0.606 0.000 0.910 326 L HN -0.078 nan 8.230 nan 0.000 0.437 327 K N -0.341 119.968 120.400 -0.152 0.000 2.074 327 K HA -0.282 4.032 4.320 -0.010 0.000 0.209 327 K C 2.086 178.654 176.600 -0.053 0.000 1.048 327 K CA 1.975 58.210 56.287 -0.087 0.000 0.926 327 K CB -0.152 32.303 32.500 -0.076 0.000 0.713 327 K HN 0.478 nan 8.250 nan 0.000 0.444 328 E N -0.073 120.096 120.200 -0.051 0.000 2.409 328 E HA -0.173 4.171 4.350 -0.010 0.000 0.198 328 E C 1.931 178.523 176.600 -0.014 0.000 1.024 328 E CA 0.531 56.914 56.400 -0.028 0.000 0.861 328 E CB 0.202 29.886 29.700 -0.027 0.000 0.788 328 E HN 0.206 nan 8.360 nan 0.000 0.521 329 R N 0.048 120.538 120.500 -0.017 0.000 2.055 329 R HA 0.036 4.370 4.340 -0.010 0.000 0.221 329 R C 2.296 178.600 176.300 0.006 0.000 1.154 329 R CA 0.746 56.850 56.100 0.006 0.000 0.975 329 R CB -0.113 30.201 30.300 0.024 0.000 0.869 329 R HN 0.136 nan 8.270 nan 0.000 0.437 330 I N 1.570 122.135 120.570 -0.008 0.000 2.194 330 I HA -0.334 3.831 4.170 -0.010 0.000 0.246 330 I C 2.396 178.514 176.117 0.002 0.000 1.093 330 I CA 1.014 62.312 61.300 -0.004 0.000 1.355 330 I CB -0.417 37.573 38.000 -0.018 0.000 1.046 330 I HN 0.253 nan 8.210 nan 0.000 0.413 331 L N 1.149 122.371 121.223 -0.002 0.000 2.013 331 L HA -0.269 4.065 4.340 -0.010 0.000 0.212 331 L C 1.763 178.641 176.870 0.014 0.000 1.073 331 L CA 2.127 56.969 54.840 0.004 0.000 0.753 331 L CB -0.729 41.329 42.059 -0.001 0.000 0.890 331 L HN 0.170 nan 8.230 nan 0.000 0.432 332 D N -0.414 119.996 120.400 0.016 0.000 2.350 332 D HA -0.123 4.511 4.640 -0.010 0.000 0.216 332 D C 1.568 177.891 176.300 0.038 0.000 0.968 332 D CA 1.059 55.074 54.000 0.025 0.000 0.894 332 D CB -0.100 40.713 40.800 0.023 0.000 0.909 332 D HN 0.564 nan 8.370 nan 0.000 0.520 333 D N -0.149 120.275 120.400 0.039 0.000 2.269 333 D HA 0.038 4.672 4.640 -0.010 0.000 0.220 333 D C 2.282 178.614 176.300 0.053 0.000 0.962 333 D CA 0.001 54.035 54.000 0.056 0.000 0.884 333 D CB 0.053 40.883 40.800 0.050 0.000 1.023 333 D HN 0.211 nan 8.370 nan 0.000 0.484 334 I N 1.627 122.215 120.570 0.029 0.000 2.229 334 I HA -0.324 3.840 4.170 -0.010 0.000 0.250 334 I C 2.436 178.575 176.117 0.038 0.000 1.096 334 I CA 1.412 62.724 61.300 0.021 0.000 1.358 334 I CB -0.170 37.837 38.000 0.011 0.000 1.047 334 I HN -0.037 nan 8.210 nan 0.000 0.422 335 K N 0.434 120.859 120.400 0.041 0.000 1.965 335 K HA -0.112 4.202 4.320 -0.010 0.000 0.214 335 K C 2.233 178.874 176.600 0.068 0.000 1.042 335 K CA 1.264 57.578 56.287 0.045 0.000 0.950 335 K CB -0.277 32.243 32.500 0.034 0.000 0.733 335 K HN 0.195 nan 8.250 nan 0.000 0.441 336 R N 1.116 121.661 120.500 0.076 0.000 2.134 336 R HA -0.214 4.120 4.340 -0.010 0.000 0.248 336 R C 1.948 178.348 176.300 0.168 0.000 1.143 336 R CA 2.157 58.316 56.100 0.098 0.000 0.957 336 R CB -0.471 29.887 30.300 0.096 0.000 0.867 336 R HN 0.301 nan 8.270 nan 0.000 0.441 337 D N -0.444 120.091 120.400 0.226 0.000 2.097 337 D HA -0.133 4.501 4.640 -0.010 0.000 0.195 337 D C 1.920 178.427 176.300 0.346 0.000 0.989 337 D CA 1.076 55.319 54.000 0.403 0.000 0.827 337 D CB -0.139 40.756 40.800 0.158 0.000 0.966 337 D HN -0.034 nan 8.370 nan 0.000 0.456 338 R N 0.353 120.954 120.500 0.167 0.000 2.193 338 R HA 0.038 4.372 4.340 -0.010 0.000 0.213 338 R C 1.814 178.185 176.300 0.117 0.000 1.055 338 R CA 0.318 56.490 56.100 0.121 0.000 0.995 338 R CB -0.480 29.856 30.300 0.061 0.000 0.893 338 R HN 0.053 nan 8.270 nan 0.000 0.459 339 V N 0.749 120.728 119.914 0.109 0.000 2.261 339 V HA -0.253 3.862 4.120 -0.010 0.000 0.246 339 V C 2.147 178.287 176.094 0.076 0.000 1.047 339 V CA 1.702 64.047 62.300 0.075 0.000 1.015 339 V CB -0.406 31.450 31.823 0.054 0.000 0.642 339 V HN 0.210 nan 8.190 nan 0.000 0.446 340 I N -0.367 120.261 120.570 0.097 0.000 2.179 340 I HA -0.178 3.987 4.170 -0.010 0.000 0.242 340 I C 2.600 178.795 176.117 0.130 0.000 1.088 340 I CA 1.435 62.757 61.300 0.038 0.000 1.357 340 I CB -1.503 36.412 38.000 -0.141 0.000 1.051 340 I HN 0.367 nan 8.210 nan 0.000 0.409 341 E N 1.157 121.533 120.200 0.292 0.000 2.065 341 E HA -0.200 4.144 4.350 -0.010 0.000 0.201 341 E C 2.341 179.026 176.600 0.141 0.000 1.016 341 E CA 1.830 58.393 56.400 0.273 0.000 0.818 341 E CB -0.362 29.459 29.700 0.202 0.000 0.749 341 E HN 0.447 nan 8.360 nan 0.000 0.453 342 V N 1.055 121.028 119.914 0.097 0.000 2.239 342 V HA -0.207 3.907 4.120 -0.010 0.000 0.242 342 V C 2.727 178.848 176.094 0.044 0.000 1.038 342 V CA 1.353 63.689 62.300 0.060 0.000 1.002 342 V CB -0.942 30.908 31.823 0.045 0.000 0.641 342 V HN 0.151 nan 8.190 nan 0.000 0.449 343 L N 0.416 121.660 121.223 0.035 0.000 2.230 343 L HA -0.314 4.020 4.340 -0.010 0.000 0.217 343 L C 2.698 179.573 176.870 0.008 0.000 1.090 343 L CA 1.612 56.461 54.840 0.015 0.000 0.771 343 L CB -0.757 41.304 42.059 0.003 0.000 0.892 343 L HN 0.455 nan 8.230 nan 0.000 0.438 344 A N 0.552 123.382 122.820 0.017 0.000 1.828 344 A HA -0.295 4.019 4.320 -0.010 0.000 0.215 344 A C 2.157 179.751 177.584 0.017 0.000 1.203 344 A CA 1.941 53.984 52.037 0.011 0.000 0.614 344 A CB -0.697 18.326 19.000 0.037 0.000 0.844 344 A HN 0.592 nan 8.150 nan 0.000 0.445 345 Q N -0.539 119.279 119.800 0.031 0.000 2.123 345 Q HA -0.035 4.299 4.340 -0.010 0.000 0.199 345 Q C 1.384 177.395 176.000 0.018 0.000 0.966 345 Q CA 1.505 57.323 55.803 0.026 0.000 0.845 345 Q CB -0.363 28.394 28.738 0.033 0.000 0.907 345 Q HN 0.720 nan 8.270 nan 0.000 0.439 346 E N 0.268 120.478 120.200 0.018 0.000 2.511 346 E HA 0.011 4.355 4.350 -0.010 0.000 0.196 346 E C 0.271 176.875 176.600 0.007 0.000 1.066 346 E CA 0.179 56.587 56.400 0.013 0.000 0.871 346 E CB 0.343 30.052 29.700 0.015 0.000 0.863 346 E HN 0.194 nan 8.360 nan 0.000 0.520 347 K N -0.250 120.153 120.400 0.004 0.000 2.706 347 K HA 0.125 4.439 4.320 -0.010 0.000 0.203 347 K C 0.061 176.659 176.600 -0.003 0.000 1.102 347 K CA 0.004 56.290 56.287 -0.001 0.000 1.058 347 K CB 1.310 33.806 32.500 -0.006 0.000 0.779 347 K HN 0.170 nan 8.250 nan 0.000 0.483 348 G N 2.151 110.952 108.800 0.001 0.000 2.359 348 G HA2 -0.251 3.703 3.960 -0.010 0.000 0.298 348 G HA3 -0.251 3.703 3.960 -0.010 0.000 0.298 348 G C -0.139 174.759 174.900 -0.002 0.000 1.030 348 G CA 0.156 45.257 45.100 0.001 0.000 1.149 348 G HN 0.331 nan 8.290 nan 0.000 0.512 349 I N -0.002 120.567 120.570 -0.001 0.000 2.534 349 I HA 0.651 4.815 4.170 -0.010 0.000 0.288 349 I C -0.028 176.091 176.117 0.002 0.000 1.077 349 I CA -0.730 60.566 61.300 -0.006 0.000 1.051 349 I CB 2.362 40.350 38.000 -0.020 0.000 1.234 349 I HN 0.243 nan 8.210 nan 0.000 0.425 350 S N 4.254 119.956 115.700 0.003 0.000 2.588 350 S HA 0.700 5.165 4.470 -0.010 0.000 0.275 350 S C -1.216 173.388 174.600 0.006 0.000 1.130 350 S CA -0.505 57.702 58.200 0.012 0.000 0.855 350 S CB 2.035 65.246 63.200 0.019 0.000 1.116 350 S HN 0.257 nan 8.310 nan 0.000 0.472 351 V N 5.632 125.554 119.914 0.014 0.000 2.350 351 V HA 0.432 4.546 4.120 -0.010 0.000 0.276 351 V C 0.182 176.286 176.094 0.015 0.000 1.028 351 V CA -1.025 61.281 62.300 0.010 0.000 0.860 351 V CB 0.859 32.691 31.823 0.015 0.000 0.990 351 V HN 0.857 nan 8.190 nan 0.000 0.453 352 N N 4.006 122.711 118.700 0.009 0.000 2.508 352 N HA 0.109 4.843 4.740 -0.010 0.000 0.285 352 N C 0.789 176.305 175.510 0.011 0.000 1.144 352 N CA -0.364 52.692 53.050 0.010 0.000 0.978 352 N CB 1.326 39.817 38.487 0.007 0.000 1.180 352 N HN 0.688 nan 8.380 nan 0.000 0.484 353 D N 0.216 120.623 120.400 0.012 0.000 2.220 353 D HA -0.335 4.299 4.640 -0.010 0.000 0.198 353 D C 0.963 177.269 176.300 0.010 0.000 1.001 353 D CA 1.518 55.524 54.000 0.011 0.000 0.875 353 D CB -0.092 40.713 40.800 0.009 0.000 0.921 353 D HN 0.834 nan 8.370 nan 0.000 0.454 354 E N 1.332 121.537 120.200 0.008 0.000 2.015 354 E HA -0.234 4.110 4.350 -0.010 0.000 0.191 354 E C 1.969 178.573 176.600 0.007 0.000 0.991 354 E CA 1.067 57.471 56.400 0.006 0.000 0.802 354 E CB -0.191 29.511 29.700 0.004 0.000 0.759 354 E HN 0.398 nan 8.360 nan 0.000 0.447 355 E N 0.652 120.855 120.200 0.004 0.000 2.204 355 E HA -0.111 4.233 4.350 -0.010 0.000 0.194 355 E C 2.293 178.897 176.600 0.006 0.000 0.989 355 E CA 0.333 56.734 56.400 0.001 0.000 0.824 355 E CB -0.068 29.629 29.700 -0.006 0.000 0.756 355 E HN 0.314 nan 8.360 nan 0.000 0.477 356 L N 0.989 122.219 121.223 0.012 0.000 2.043 356 L HA -0.277 4.057 4.340 -0.010 0.000 0.212 356 L C 2.044 178.929 176.870 0.026 0.000 1.075 356 L CA 1.524 56.377 54.840 0.021 0.000 0.752 356 L CB -0.075 41.998 42.059 0.022 0.000 0.891 356 L HN 0.176 nan 8.230 nan 0.000 0.432 357 E N -0.461 119.751 120.200 0.020 0.000 2.006 357 E HA -0.280 4.064 4.350 -0.010 0.000 0.192 357 E C 2.132 178.748 176.600 0.027 0.000 0.993 357 E CA 1.215 57.629 56.400 0.023 0.000 0.808 357 E CB -0.162 29.548 29.700 0.016 0.000 0.764 357 E HN 0.261 nan 8.360 nan 0.000 0.449 358 K N 0.883 121.293 120.400 0.018 0.000 2.077 358 K HA -0.331 3.983 4.320 -0.010 0.000 0.213 358 K C 2.178 178.787 176.600 0.015 0.000 1.051 358 K CA 1.932 58.227 56.287 0.014 0.000 0.929 358 K CB -0.068 32.434 32.500 0.004 0.000 0.715 358 K HN -0.048 nan 8.250 nan 0.000 0.451 359 E N 0.237 120.445 120.200 0.013 0.000 2.038 359 E HA -0.146 4.198 4.350 -0.010 0.000 0.195 359 E C 1.648 178.273 176.600 0.041 0.000 1.000 359 E CA 1.868 58.273 56.400 0.008 0.000 0.803 359 E CB -0.355 29.352 29.700 0.011 0.000 0.750 359 E HN 0.384 nan 8.360 nan 0.000 0.448 360 A N 0.536 123.408 122.820 0.086 0.000 2.015 360 A HA -0.174 4.141 4.320 -0.010 0.000 0.219 360 A C 2.162 179.838 177.584 0.153 0.000 1.163 360 A CA 1.552 53.690 52.037 0.167 0.000 0.646 360 A CB -0.595 18.482 19.000 0.130 0.000 0.806 360 A HN 0.419 nan 8.150 nan 0.000 0.448 361 E N 0.376 120.629 120.200 0.088 0.000 2.051 361 E HA -0.226 4.118 4.350 -0.010 0.000 0.192 361 E C 1.836 178.485 176.600 0.082 0.000 0.991 361 E CA 1.482 57.929 56.400 0.079 0.000 0.799 361 E CB -0.114 29.615 29.700 0.049 0.000 0.748 361 E HN 0.871 nan 8.360 nan 0.000 0.449 362 E N 0.009 120.234 120.200 0.042 0.000 2.435 362 E HA -0.102 4.242 4.350 -0.010 0.000 0.195 362 E C 2.099 178.668 176.600 -0.051 0.000 1.029 362 E CA 0.237 56.645 56.400 0.013 0.000 0.865 362 E CB -0.060 29.620 29.700 -0.034 0.000 0.833 362 E HN 0.316 nan 8.360 nan 0.000 0.510 363 L N 0.819 122.020 121.223 -0.037 0.000 2.341 363 L HA 0.071 4.405 4.340 -0.010 0.000 0.214 363 L C 2.526 179.489 176.870 0.156 0.000 1.115 363 L CA 0.578 55.334 54.840 -0.139 0.000 0.820 363 L CB -0.136 41.911 42.059 -0.021 0.000 0.944 363 L HN 0.162 nan 8.230 nan 0.000 0.452 364 A N 1.198 124.204 122.820 0.309 0.000 1.865 364 A HA -0.135 4.179 4.320 -0.010 0.000 0.217 364 A C -0.186 177.584 177.584 0.310 0.000 1.191 364 A CA 1.669 53.931 52.037 0.374 0.000 0.623 364 A CB -1.911 17.230 19.000 0.235 0.000 0.826 364 A HN 0.266 nan 8.150 nan 0.000 0.444 365 P HA -0.177 nan 4.420 nan 0.000 0.218 365 P C 0.703 178.084 177.300 0.135 0.000 1.146 365 P CA 1.124 64.341 63.100 0.195 0.000 0.820 365 P CB -0.283 31.549 31.700 0.220 0.000 0.778 366 F N -3.234 116.655 119.950 -0.101 0.000 2.797 366 F HA 0.096 4.617 4.527 -0.010 0.000 0.302 366 F C 1.926 177.553 175.800 -0.289 0.000 1.130 366 F CA 0.153 58.004 58.000 -0.250 0.000 1.387 366 F CB -0.499 38.242 39.000 -0.432 0.000 1.107 366 F HN -0.003 nan 8.300 nan 0.000 0.577 367 W N -0.841 120.554 121.300 0.158 0.000 2.865 367 W HA 0.373 5.026 4.660 -0.010 0.000 0.300 367 W C 1.600 178.149 176.519 0.050 0.000 1.096 367 W CA 0.870 58.269 57.345 0.089 0.000 1.524 367 W CB 0.066 29.573 29.460 0.078 0.000 0.991 367 W HN 0.107 nan 8.180 nan 0.000 0.571 368 G N 1.638 110.576 108.800 0.230 0.000 2.175 368 G HA2 -0.264 3.690 3.960 -0.010 0.000 0.244 368 G HA3 -0.264 3.690 3.960 -0.010 0.000 0.244 368 G C 0.227 175.194 174.900 0.112 0.000 0.982 368 G CA 0.380 45.557 45.100 0.128 0.000 0.641 368 G HN 0.123 nan 8.290 nan 0.000 0.527 369 I N -1.150 119.505 120.570 0.142 0.000 3.205 369 I HA 0.842 5.007 4.170 -0.010 0.000 0.310 369 I C 0.802 176.973 176.117 0.090 0.000 1.089 369 I CA -0.561 60.795 61.300 0.093 0.000 1.023 369 I CB 0.853 38.894 38.000 0.067 0.000 1.269 369 I HN 0.181 nan 8.210 nan 0.000 0.512 370 S N 1.707 117.443 115.700 0.061 0.000 2.559 370 S HA 0.112 4.576 4.470 -0.010 0.000 0.282 370 S C -1.546 173.095 174.600 0.069 0.000 1.336 370 S CA -0.382 57.850 58.200 0.054 0.000 1.037 370 S CB 0.156 63.376 63.200 0.034 0.000 0.853 370 S HN 0.607 nan 8.310 nan 0.000 0.523 371 P HA -0.060 nan 4.420 nan 0.000 0.218 371 P C 0.661 177.994 177.300 0.055 0.000 1.149 371 P CA 1.040 64.184 63.100 0.074 0.000 0.817 371 P CB -0.027 31.709 31.700 0.061 0.000 0.785 372 D N -0.766 119.656 120.400 0.038 0.000 2.234 372 D HA -0.104 4.530 4.640 -0.010 0.000 0.205 372 D C 1.972 178.282 176.300 0.015 0.000 0.962 372 D CA 0.600 54.614 54.000 0.024 0.000 0.855 372 D CB -0.398 40.413 40.800 0.017 0.000 0.951 372 D HN 0.071 nan 8.370 nan 0.000 0.500 373 R N 1.586 122.097 120.500 0.018 0.000 2.115 373 R HA 0.038 4.372 4.340 -0.010 0.000 0.226 373 R C 2.133 178.423 176.300 -0.018 0.000 1.100 373 R CA 1.359 57.460 56.100 0.001 0.000 0.980 373 R CB -0.697 29.607 30.300 0.007 0.000 0.875 373 R HN 0.100 nan 8.270 nan 0.000 0.445 374 A N 0.762 123.584 122.820 0.004 0.000 1.883 374 A HA -0.220 4.094 4.320 -0.010 0.000 0.217 374 A C 1.994 179.550 177.584 -0.046 0.000 1.186 374 A CA 1.935 53.958 52.037 -0.023 0.000 0.624 374 A CB -0.474 18.575 19.000 0.081 0.000 0.822 374 A HN 0.372 nan 8.150 nan 0.000 0.444 375 K N 0.153 120.548 120.400 -0.010 0.000 2.063 375 K HA -0.123 4.191 4.320 -0.010 0.000 0.208 375 K C 2.335 178.917 176.600 -0.031 0.000 1.048 375 K CA 1.701 57.980 56.287 -0.013 0.000 0.928 375 K CB -0.203 32.298 32.500 0.002 0.000 0.713 375 K HN 0.507 nan 8.250 nan 0.000 0.442 376 S N 1.064 116.744 115.700 -0.033 0.000 2.368 376 S HA -0.124 4.340 4.470 -0.010 0.000 0.225 376 S C 1.821 176.384 174.600 -0.062 0.000 1.030 376 S CA 1.033 59.210 58.200 -0.038 0.000 0.999 376 S CB -0.236 62.946 63.200 -0.031 0.000 0.844 376 S HN 0.073 nan 8.310 nan 0.000 0.459 377 L N 1.147 122.313 121.223 -0.095 0.000 2.083 377 L HA -0.028 4.306 4.340 -0.010 0.000 0.209 377 L C 2.388 179.174 176.870 -0.140 0.000 1.083 377 L CA 1.105 55.858 54.840 -0.146 0.000 0.752 377 L CB -0.806 41.106 42.059 -0.244 0.000 0.899 377 L HN 0.154 nan 8.230 nan 0.000 0.433 378 V N -0.865 118.980 119.914 -0.116 0.000 2.358 378 V HA -0.265 3.849 4.120 -0.010 0.000 0.246 378 V C 2.621 178.685 176.094 -0.050 0.000 1.047 378 V CA 1.507 63.759 62.300 -0.080 0.000 1.035 378 V CB -0.245 31.551 31.823 -0.046 0.000 0.658 378 V HN 0.358 nan 8.190 nan 0.000 0.452 379 K N 0.390 120.766 120.400 -0.041 0.000 2.097 379 K HA -0.051 4.264 4.320 -0.010 0.000 0.206 379 K C 1.956 178.537 176.600 -0.031 0.000 1.049 379 K CA 1.628 57.898 56.287 -0.028 0.000 0.933 379 K CB -0.615 31.872 32.500 -0.022 0.000 0.717 379 K HN 0.455 nan 8.250 nan 0.000 0.442 380 A N 0.687 123.482 122.820 -0.043 0.000 1.823 380 A HA 0.006 4.321 4.320 -0.010 0.000 0.214 380 A C 0.650 178.208 177.584 -0.042 0.000 1.225 380 A CA 0.729 52.741 52.037 -0.041 0.000 0.604 380 A CB -0.340 18.630 19.000 -0.049 0.000 0.878 380 A HN 0.112 nan 8.150 nan 0.000 0.450 381 R N 0.385 120.850 120.500 -0.058 0.000 2.347 381 R HA 0.135 4.470 4.340 -0.010 0.000 0.304 381 R C 0.820 177.096 176.300 -0.041 0.000 1.072 381 R CA 0.143 56.210 56.100 -0.055 0.000 0.980 381 R CB 0.979 31.232 30.300 -0.079 0.000 0.986 381 R HN 0.744 nan 8.270 nan 0.000 0.448 382 Q N 2.395 122.179 119.800 -0.027 0.000 1.984 382 Q HA -0.183 4.151 4.340 -0.010 0.000 0.196 382 Q C 1.015 177.010 176.000 -0.009 0.000 0.975 382 Q CA 2.172 57.966 55.803 -0.015 0.000 0.827 382 Q CB 0.001 28.733 28.738 -0.011 0.000 0.894 382 Q HN 0.762 nan 8.270 nan 0.000 0.438 383 D N -0.036 120.358 120.400 -0.009 0.000 2.286 383 D HA -0.273 4.361 4.640 -0.010 0.000 0.195 383 D C 1.597 177.905 176.300 0.013 0.000 1.012 383 D CA 1.560 55.560 54.000 0.000 0.000 0.901 383 D CB -0.291 40.508 40.800 -0.001 0.000 0.903 383 D HN 0.314 nan 8.370 nan 0.000 0.451 384 L N 0.224 121.445 121.223 -0.004 0.000 2.202 384 L HA 0.172 4.506 4.340 -0.010 0.000 0.205 384 L C 2.304 179.186 176.870 0.019 0.000 1.083 384 L CA 1.151 55.989 54.840 -0.003 0.000 0.790 384 L CB -0.454 41.553 42.059 -0.086 0.000 0.942 384 L HN 0.164 nan 8.230 nan 0.000 0.452 385 R N -1.006 119.499 120.500 0.008 0.000 2.193 385 R HA -0.033 4.301 4.340 -0.010 0.000 0.213 385 R C 1.559 177.888 176.300 0.049 0.000 1.055 385 R CA 1.192 57.306 56.100 0.024 0.000 0.995 385 R CB -0.536 29.770 30.300 0.009 0.000 0.893 385 R HN 0.407 nan 8.270 nan 0.000 0.459 386 E N 1.496 121.725 120.200 0.049 0.000 2.076 386 E HA -0.109 4.235 4.350 -0.010 0.000 0.190 386 E C 1.760 178.429 176.600 0.114 0.000 0.979 386 E CA 0.850 57.291 56.400 0.068 0.000 0.807 386 E CB 0.011 29.732 29.700 0.035 0.000 0.761 386 E HN 0.456 nan 8.360 nan 0.000 0.454 387 E N 0.498 120.762 120.200 0.105 0.000 2.118 387 E HA -0.211 4.133 4.350 -0.010 0.000 0.195 387 E C 1.942 178.649 176.600 0.179 0.000 0.992 387 E CA 0.840 57.330 56.400 0.149 0.000 0.804 387 E CB 0.057 29.837 29.700 0.133 0.000 0.741 387 E HN 0.094 nan 8.360 nan 0.000 0.458 388 L N 0.270 121.576 121.223 0.140 0.000 2.095 388 L HA -0.086 4.248 4.340 -0.010 0.000 0.204 388 L C 2.386 179.315 176.870 0.099 0.000 1.080 388 L CA 1.202 56.112 54.840 0.116 0.000 0.759 388 L CB -0.451 41.669 42.059 0.102 0.000 0.914 388 L HN -0.007 nan 8.230 nan 0.000 0.439 389 R N -0.612 119.955 120.500 0.113 0.000 2.115 389 R HA -0.291 4.043 4.340 -0.010 0.000 0.239 389 R C 2.376 178.763 176.300 0.144 0.000 1.133 389 R CA 2.370 58.538 56.100 0.112 0.000 0.935 389 R CB -0.812 29.563 30.300 0.124 0.000 0.853 389 R HN 0.568 nan 8.270 nan 0.000 0.433 390 W N 0.884 122.190 121.300 0.011 0.000 2.392 390 W HA -0.180 4.474 4.660 -0.010 0.000 0.279 390 W C 1.611 178.133 176.519 0.005 0.000 1.225 390 W CA 1.372 58.721 57.345 0.008 0.000 1.233 390 W CB -0.116 29.350 29.460 0.011 0.000 1.122 390 W HN 0.367 nan 8.180 nan 0.000 0.561 391 A N 0.592 123.418 122.820 0.010 0.000 1.897 391 A HA -0.111 4.203 4.320 -0.010 0.000 0.215 391 A C 1.951 179.445 177.584 -0.150 0.000 1.181 391 A CA 1.540 53.524 52.037 -0.088 0.000 0.620 391 A CB -0.844 18.166 19.000 0.018 0.000 0.821 391 A HN 0.292 nan 8.150 nan 0.000 0.443 392 I N -0.890 119.622 120.570 -0.098 0.000 2.193 392 I HA -0.174 3.990 4.170 -0.010 0.000 0.240 392 I C 2.312 178.339 176.117 -0.150 0.000 1.084 392 I CA 0.807 62.048 61.300 -0.098 0.000 1.365 392 I CB -0.377 37.594 38.000 -0.049 0.000 1.064 392 I HN 0.308 nan 8.210 nan 0.000 0.410 393 L N 1.211 122.333 121.223 -0.169 0.000 2.034 393 L HA -0.313 4.021 4.340 -0.010 0.000 0.217 393 L C 2.440 179.117 176.870 -0.322 0.000 1.077 393 L CA 1.993 56.703 54.840 -0.217 0.000 0.769 393 L CB -0.721 41.205 42.059 -0.221 0.000 0.890 393 L HN 0.156 nan 8.230 nan 0.000 0.435 394 K N -1.397 118.716 120.400 -0.479 0.000 2.002 394 K HA -0.225 4.089 4.320 -0.010 0.000 0.209 394 K C 2.240 178.690 176.600 -0.251 0.000 1.048 394 K CA 1.355 57.370 56.287 -0.454 0.000 0.930 394 K CB -0.079 32.096 32.500 -0.541 0.000 0.714 394 K HN 0.108 nan 8.250 nan 0.000 0.438 395 R N 1.302 121.682 120.500 -0.201 0.000 2.133 395 R HA -0.175 4.159 4.340 -0.010 0.000 0.245 395 R C 2.101 178.331 176.300 -0.117 0.000 1.137 395 R CA 1.963 57.981 56.100 -0.135 0.000 0.947 395 R CB -0.310 29.922 30.300 -0.112 0.000 0.865 395 R HN 0.223 nan 8.270 nan 0.000 0.437 396 K N -0.744 119.584 120.400 -0.119 0.000 1.985 396 K HA -0.092 4.223 4.320 -0.010 0.000 0.210 396 K C 2.078 178.624 176.600 -0.090 0.000 1.047 396 K CA 1.680 57.911 56.287 -0.092 0.000 0.932 396 K CB -0.419 32.032 32.500 -0.082 0.000 0.716 396 K HN -0.021 nan 8.250 nan 0.000 0.439 397 V N 2.077 121.922 119.914 -0.114 0.000 2.237 397 V HA -0.240 3.874 4.120 -0.010 0.000 0.245 397 V C 2.292 178.337 176.094 -0.083 0.000 1.046 397 V CA 1.650 63.892 62.300 -0.096 0.000 1.007 397 V CB -0.434 31.320 31.823 -0.115 0.000 0.638 397 V HN 0.296 nan 8.190 nan 0.000 0.445 398 L N -0.089 121.073 121.223 -0.100 0.000 2.129 398 L HA -0.243 4.091 4.340 -0.010 0.000 0.212 398 L C 2.159 178.991 176.870 -0.063 0.000 1.087 398 L CA 1.701 56.495 54.840 -0.077 0.000 0.757 398 L CB -0.663 41.344 42.059 -0.086 0.000 0.896 398 L HN 0.378 nan 8.230 nan 0.000 0.434 399 D N -0.540 119.819 120.400 -0.068 0.000 2.378 399 D HA -0.066 4.568 4.640 -0.010 0.000 0.222 399 D C 1.992 178.266 176.300 -0.043 0.000 0.980 399 D CA 0.716 54.682 54.000 -0.056 0.000 0.907 399 D CB 0.287 41.052 40.800 -0.059 0.000 0.899 399 D HN 0.269 nan 8.370 nan 0.000 0.527 400 L N -0.988 120.210 121.223 -0.042 0.000 2.435 400 L HA 0.106 4.440 4.340 -0.010 0.000 0.195 400 L C 2.194 179.048 176.870 -0.026 0.000 1.072 400 L CA 0.109 54.931 54.840 -0.031 0.000 0.833 400 L CB -0.241 41.800 42.059 -0.030 0.000 1.081 400 L HN -0.008 nan 8.230 nan 0.000 0.485 401 L N 0.130 121.336 121.223 -0.028 0.000 2.081 401 L HA -0.255 4.079 4.340 -0.010 0.000 0.212 401 L C 2.544 179.402 176.870 -0.020 0.000 1.080 401 L CA 1.359 56.186 54.840 -0.022 0.000 0.754 401 L CB -0.720 41.325 42.059 -0.023 0.000 0.893 401 L HN 0.291 nan 8.230 nan 0.000 0.433 402 L N -0.482 120.726 121.223 -0.025 0.000 2.044 402 L HA -0.099 4.235 4.340 -0.010 0.000 0.205 402 L C 2.149 179.008 176.870 -0.018 0.000 1.075 402 L CA 1.195 56.021 54.840 -0.022 0.000 0.747 402 L CB -0.247 41.794 42.059 -0.030 0.000 0.903 402 L HN 0.207 nan 8.230 nan 0.000 0.435 403 Q N 0.972 120.760 119.800 -0.020 0.000 2.319 403 Q HA -0.047 4.287 4.340 -0.010 0.000 0.217 403 Q C 0.169 176.162 176.000 -0.011 0.000 0.924 403 Q CA 0.649 56.443 55.803 -0.015 0.000 0.964 403 Q CB -0.023 28.705 28.738 -0.017 0.000 1.025 403 Q HN 0.682 nan 8.270 nan 0.000 0.465 404 E N -1.043 119.151 120.200 -0.011 0.000 2.713 404 E HA 0.070 4.414 4.350 -0.010 0.000 0.199 404 E C -0.568 176.028 176.600 -0.006 0.000 0.940 404 E CA 0.019 56.414 56.400 -0.008 0.000 1.310 404 E CB 1.228 30.922 29.700 -0.010 0.000 1.129 404 E HN -0.037 nan 8.360 nan 0.000 0.557 405 V N 2.961 122.871 119.914 -0.006 0.000 2.356 405 V HA 0.002 4.116 4.120 -0.010 0.000 0.244 405 V C 0.554 176.647 176.094 -0.002 0.000 1.120 405 V CA 1.050 63.348 62.300 -0.004 0.000 1.181 405 V CB -0.536 31.285 31.823 -0.004 0.000 1.244 405 V HN 0.139 nan 8.190 nan 0.000 0.487 406 E N 0.000 120.199 120.200 -0.002 0.000 2.725 406 E HA 0.000 4.344 4.350 -0.010 0.000 0.291 406 E CA 0.000 56.399 56.400 -0.001 0.000 0.976 406 E CB 0.000 29.699 29.700 -0.002 0.000 0.812 406 E HN 0.000 nan 8.360 nan 0.000 0.440