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 1ynh_1_B DATA FIRST_RESID 2 DATA SEQUENCE NAWEVNFDGL VGLTHHYAGL SFGNEASTRH RFQVSNPRLA AKQGLLKMKA DATA SEQUENCE LADAGFPQAV IPPHERPFIP VLRQLGFSGS DEQVLEKVAR QAPHWLSSVS DATA SEQUENCE SASPMWVANA ATIAPSADTL DGKVHLTVAN LNNKFHRSLE APVTESLLKA DATA SEQUENCE IFNDEEKFSV HSALPQVALL GDEGAANHNR LGGHYGEPGM QLFVYGREEG DATA SEQUENCE NDTRPSRYPA RQTREASEAV ARLNQVNPQQ VIFAQQNPDV IDQGVFHNDV DATA SEQUENCE IAVSNRQVLF CHQQAFARQS QLLANLRARV NGFMAIEVPA TQVSVSDTVS DATA SEQUENCE TYLFNSQLLS RDDGSMMLVL PQECREHAGV WGYLNELLAA DNPISELKVF DATA SEQUENCE DLRESMANGG GPACLRLRVV LTEEERRAVN PAVMMNDTLF NALNDWVDRY DATA SEQUENCE YRDRLTAADL ADPQLLREGR EALDVLSQLL NLGSVYPFQR 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.530 175.510 0.034 0.000 1.280 2 N CA 0.000 53.071 53.050 0.035 0.000 0.885 2 N CB 0.000 38.488 38.487 0.001 0.000 1.341 3 A N 1.947 124.854 122.820 0.145 0.000 2.386 3 A HA 0.891 5.212 4.320 0.001 0.000 0.308 3 A C -1.401 176.430 177.584 0.412 0.000 1.128 3 A CA -0.525 51.603 52.037 0.151 0.000 0.789 3 A CB 1.330 20.427 19.000 0.162 0.000 1.325 3 A HN 0.435 nan 8.150 nan 0.000 0.437 4 W N 0.162 121.539 121.300 0.129 0.000 2.689 4 W HA 0.537 5.195 4.660 -0.004 0.000 0.340 4 W C 0.110 176.595 176.519 -0.057 0.000 1.060 4 W CA -0.991 56.412 57.345 0.097 0.000 1.218 4 W CB 1.059 30.565 29.460 0.077 0.000 1.410 4 W HN 0.817 nan 8.180 nan 0.000 0.528 5 E N 1.537 121.673 120.200 -0.106 0.000 2.194 5 E HA 0.400 4.750 4.350 0.001 0.000 0.284 5 E C -1.141 175.464 176.600 0.009 0.000 1.035 5 E CA -0.150 56.074 56.400 -0.293 0.000 0.836 5 E CB 0.992 30.173 29.700 -0.866 0.000 1.070 5 E HN 0.168 nan 8.360 nan 0.000 0.401 6 V N 5.385 125.378 119.914 0.131 0.000 2.398 6 V HA 0.239 4.359 4.120 0.001 0.000 0.286 6 V C -0.080 176.126 176.094 0.188 0.000 1.026 6 V CA -1.041 61.355 62.300 0.160 0.000 0.868 6 V CB 1.527 33.485 31.823 0.225 0.000 0.982 6 V HN 0.666 nan 8.190 nan 0.000 0.443 7 N N 3.729 122.468 118.700 0.066 0.000 2.434 7 N HA 0.469 5.209 4.740 0.001 0.000 0.272 7 N C -1.116 174.399 175.510 0.009 0.000 1.040 7 N CA -0.145 52.967 53.050 0.103 0.000 0.956 7 N CB 1.470 39.981 38.487 0.039 0.000 1.108 7 N HN 0.433 nan 8.380 nan 0.000 0.481 8 F N 0.945 120.928 119.950 0.054 0.000 2.402 8 F HA 0.285 4.812 4.527 -0.000 0.000 0.355 8 F C 0.446 176.269 175.800 0.038 0.000 1.123 8 F CA -0.791 57.239 58.000 0.050 0.000 1.021 8 F CB 1.188 40.241 39.000 0.087 0.000 1.160 8 F HN 0.238 nan 8.300 nan 0.000 0.451 9 D N 1.117 121.591 120.400 0.123 0.000 2.217 9 D HA 0.493 5.133 4.640 0.001 0.000 0.248 9 D C 0.120 176.466 176.300 0.077 0.000 1.008 9 D CA -0.295 53.755 54.000 0.084 0.000 0.914 9 D CB 1.639 42.451 40.800 0.021 0.000 1.182 9 D HN 0.641 nan 8.370 nan 0.000 0.451 10 G N 0.782 109.612 108.800 0.051 0.000 2.339 10 G HA2 0.402 4.363 3.960 0.001 0.000 0.287 10 G HA3 0.402 4.363 3.960 0.001 0.000 0.287 10 G C -0.632 174.262 174.900 -0.010 0.000 1.163 10 G CA -0.408 44.702 45.100 0.016 0.000 0.872 10 G HN 0.367 nan 8.290 nan 0.000 0.464 11 L N 4.748 125.985 121.223 0.022 0.000 2.325 11 L HA 0.323 4.663 4.340 0.001 0.000 0.284 11 L C 0.434 177.342 176.870 0.064 0.000 1.089 11 L CA -0.312 54.555 54.840 0.045 0.000 0.836 11 L CB 0.917 43.019 42.059 0.072 0.000 1.184 11 L HN 0.283 nan 8.230 nan 0.000 0.444 12 V N 6.010 125.933 119.914 0.016 0.000 2.584 12 V HA 0.123 4.244 4.120 0.001 0.000 0.303 12 V C 1.438 177.666 176.094 0.222 0.000 1.035 12 V CA 0.562 62.865 62.300 0.004 0.000 1.172 12 V CB -0.266 31.508 31.823 -0.081 0.000 0.896 12 V HN 0.982 nan 8.190 nan 0.000 0.486 13 G N 3.951 112.822 108.800 0.118 0.000 2.606 13 G HA2 0.355 4.315 3.960 0.001 0.000 0.252 13 G HA3 0.355 4.315 3.960 0.001 0.000 0.252 13 G C 0.603 175.509 174.900 0.010 0.000 1.206 13 G CA -0.456 44.715 45.100 0.119 0.000 0.861 13 G HN 1.014 nan 8.290 nan 0.000 0.561 14 L N -0.567 120.432 121.223 -0.373 0.000 2.599 14 L HA 0.219 4.560 4.340 0.001 0.000 0.230 14 L C 1.895 178.610 176.870 -0.258 0.000 1.141 14 L CA 1.285 55.725 54.840 -0.667 0.000 0.877 14 L CB -0.729 40.576 42.059 -1.257 0.000 1.009 14 L HN 0.448 nan 8.230 nan 0.000 0.447 15 T N -4.692 109.794 114.554 -0.113 0.000 3.105 15 T HA 0.121 4.471 4.350 0.001 0.000 0.253 15 T C 0.653 175.418 174.700 0.108 0.000 1.047 15 T CA -0.213 61.873 62.100 -0.022 0.000 0.944 15 T CB -1.048 67.813 68.868 -0.011 0.000 1.016 15 T HN 0.489 nan 8.240 nan 0.000 0.544 16 H N 3.749 122.796 119.070 -0.039 0.000 3.216 16 H HA 0.159 4.715 4.556 0.001 0.000 0.283 16 H C 0.347 175.613 175.328 -0.103 0.000 0.921 16 H CA 0.689 56.671 56.048 -0.110 0.000 1.419 16 H CB -0.205 29.488 29.762 -0.114 0.000 1.460 16 H HN 0.644 nan 8.280 nan 0.000 0.553 17 H N 3.015 121.606 119.070 -0.799 0.000 2.981 17 H HA 0.176 4.733 4.556 0.001 0.000 0.327 17 H C -1.655 173.200 175.328 -0.789 0.000 1.342 17 H CA -1.055 54.537 56.048 -0.760 0.000 1.123 17 H CB 0.226 29.809 29.762 -0.298 0.000 1.851 17 H HN 0.582 nan 8.280 nan 0.000 0.531 18 Y N 0.391 120.581 120.300 -0.183 0.000 2.369 18 Y HA 0.566 5.116 4.550 0.000 0.000 0.337 18 Y C 0.605 176.368 175.900 -0.227 0.000 0.961 18 Y CA -0.262 57.718 58.100 -0.201 0.000 1.186 18 Y CB 1.761 40.169 38.460 -0.085 0.000 1.139 18 Y HN 0.823 nan 8.280 nan 0.000 0.494 19 A N 2.324 125.002 122.820 -0.238 0.000 2.545 19 A HA 0.457 4.777 4.320 0.001 0.000 0.263 19 A C 1.459 178.776 177.584 -0.444 0.000 1.202 19 A CA 0.070 51.877 52.037 -0.384 0.000 0.959 19 A CB -0.488 18.453 19.000 -0.097 0.000 1.124 19 A HN 1.142 nan 8.150 nan 0.000 0.543 20 G N 0.268 108.884 108.800 -0.307 0.000 2.366 20 G HA2 -0.262 3.698 3.960 0.001 0.000 0.299 20 G HA3 -0.262 3.698 3.960 0.001 0.000 0.299 20 G C 0.590 175.416 174.900 -0.124 0.000 1.020 20 G CA 0.730 45.712 45.100 -0.197 0.000 1.026 20 G HN 0.558 nan 8.290 nan 0.000 0.512 21 L N -0.514 120.604 121.223 -0.176 0.000 2.492 21 L HA 0.163 4.504 4.340 0.001 0.000 0.223 21 L C 1.190 178.054 176.870 -0.011 0.000 1.132 21 L CA 0.712 55.451 54.840 -0.169 0.000 0.850 21 L CB 0.259 41.939 42.059 -0.633 0.000 0.966 21 L HN 0.265 nan 8.230 nan 0.000 0.454 22 S N 0.514 116.196 115.700 -0.031 0.000 2.505 22 S HA 0.272 4.743 4.470 0.001 0.000 0.280 22 S C -0.447 174.093 174.600 -0.100 0.000 1.197 22 S CA -0.537 57.642 58.200 -0.035 0.000 1.138 22 S CB 0.214 63.307 63.200 -0.179 0.000 1.010 22 S HN 0.075 nan 8.310 nan 0.000 0.480 23 F N 3.008 122.880 119.950 -0.130 0.000 2.543 23 F HA 0.498 5.026 4.527 0.001 0.000 0.375 23 F C 1.262 176.886 175.800 -0.293 0.000 1.075 23 F CA 0.965 58.875 58.000 -0.150 0.000 1.225 23 F CB 0.118 39.106 39.000 -0.019 0.000 1.099 23 F HN 0.721 nan 8.300 nan 0.000 0.561 24 G N 3.944 112.011 108.800 -1.222 0.000 2.253 24 G HA2 -0.262 3.699 3.960 0.001 0.000 0.209 24 G HA3 -0.262 3.699 3.960 0.001 0.000 0.209 24 G C -0.215 174.111 174.900 -0.957 0.000 0.997 24 G CA -0.014 44.224 45.100 -1.436 0.000 0.640 24 G HN 0.856 nan 8.290 nan 0.000 0.496 25 N N 1.338 119.562 118.700 -0.793 0.000 2.621 25 N HA 0.385 5.125 4.740 0.001 0.000 0.237 25 N C 1.111 176.405 175.510 -0.359 0.000 0.997 25 N CA -0.091 52.547 53.050 -0.687 0.000 0.918 25 N CB 0.768 38.624 38.487 -1.053 0.000 1.122 25 N HN 0.478 nan 8.380 nan 0.000 0.510 26 E N 1.668 121.739 120.200 -0.215 0.000 2.204 26 E HA -0.154 4.196 4.350 0.001 0.000 0.195 26 E C 1.350 177.932 176.600 -0.030 0.000 0.990 26 E CA 1.169 57.503 56.400 -0.111 0.000 0.821 26 E CB 0.138 29.823 29.700 -0.026 0.000 0.750 26 E HN 0.710 nan 8.360 nan 0.000 0.477 27 A N 1.306 124.134 122.820 0.013 0.000 1.873 27 A HA -0.209 4.112 4.320 0.001 0.000 0.215 27 A C 2.307 179.961 177.584 0.117 0.000 1.186 27 A CA 1.756 53.847 52.037 0.090 0.000 0.616 27 A CB -0.716 18.287 19.000 0.005 0.000 0.823 27 A HN 0.250 nan 8.150 nan 0.000 0.442 28 S N -0.785 114.906 115.700 -0.015 0.000 2.359 28 S HA -0.199 4.271 4.470 0.001 0.000 0.223 28 S C 2.067 176.652 174.600 -0.024 0.000 1.039 28 S CA 2.547 60.733 58.200 -0.023 0.000 1.042 28 S CB -0.811 62.309 63.200 -0.133 0.000 0.915 28 S HN 0.593 nan 8.310 nan 0.000 0.439 29 T N 1.574 116.095 114.554 -0.056 0.000 2.746 29 T HA -0.063 4.287 4.350 0.001 0.000 0.267 29 T C 1.993 176.668 174.700 -0.042 0.000 1.039 29 T CA 1.429 63.508 62.100 -0.036 0.000 1.142 29 T CB -0.328 68.534 68.868 -0.010 0.000 0.866 29 T HN 0.410 nan 8.240 nan 0.000 0.444 30 R N -0.061 120.399 120.500 -0.065 0.000 2.092 30 R HA -0.075 4.265 4.340 0.001 0.000 0.231 30 R C 1.569 177.689 176.300 -0.301 0.000 1.119 30 R CA 1.346 57.340 56.100 -0.177 0.000 0.970 30 R CB -0.108 30.043 30.300 -0.248 0.000 0.864 30 R HN 0.513 nan 8.270 nan 0.000 0.440 31 H N -0.834 118.161 119.070 -0.125 0.000 2.526 31 H HA 0.155 4.711 4.556 0.001 0.000 0.274 31 H C -0.042 175.194 175.328 -0.152 0.000 0.999 31 H CA -0.253 55.668 56.048 -0.211 0.000 1.157 31 H CB 0.020 29.518 29.762 -0.439 0.000 1.407 31 H HN -0.022 nan 8.280 nan 0.000 0.568 32 R N 0.715 121.189 120.500 -0.043 0.000 2.481 32 R HA -0.168 4.173 4.340 0.001 0.000 0.291 32 R C -0.449 175.822 176.300 -0.047 0.000 0.934 32 R CA 0.607 56.602 56.100 -0.175 0.000 1.116 32 R CB -0.460 29.715 30.300 -0.209 0.000 0.895 32 R HN 0.498 nan 8.270 nan 0.000 0.410 33 F N -0.263 119.780 119.950 0.155 0.000 2.973 33 F HA -0.361 4.167 4.527 0.001 0.000 0.299 33 F C 0.487 176.366 175.800 0.131 0.000 0.737 33 F CA 0.657 58.739 58.000 0.137 0.000 1.151 33 F CB -1.166 37.883 39.000 0.082 0.000 1.440 33 F HN 0.642 nan 8.300 nan 0.000 0.367 34 Q N 0.496 120.448 119.800 0.252 0.000 2.354 34 Q HA 0.451 4.791 4.340 0.001 0.000 0.244 34 Q C 0.342 176.509 176.000 0.280 0.000 0.969 34 Q CA -0.625 55.286 55.803 0.181 0.000 0.885 34 Q CB 1.787 30.543 28.738 0.029 0.000 1.241 34 Q HN 0.077 nan 8.270 nan 0.000 0.461 35 V N 2.233 122.272 119.914 0.208 0.000 2.673 35 V HA 0.012 4.132 4.120 0.001 0.000 0.303 35 V C 0.487 176.759 176.094 0.297 0.000 1.046 35 V CA 0.183 62.609 62.300 0.209 0.000 1.126 35 V CB 0.679 32.583 31.823 0.136 0.000 0.934 35 V HN 0.891 nan 8.190 nan 0.000 0.487 36 S N 3.361 119.215 115.700 0.255 0.000 2.681 36 S HA 0.491 4.961 4.470 0.001 0.000 0.299 36 S C -0.381 174.345 174.600 0.210 0.000 1.113 36 S CA -0.859 57.496 58.200 0.258 0.000 1.013 36 S CB 1.398 64.486 63.200 -0.187 0.000 1.076 36 S HN 0.791 nan 8.310 nan 0.000 0.534 37 N N 1.049 119.917 118.700 0.280 0.000 2.716 37 N HA 0.364 5.104 4.740 0.001 0.000 0.253 37 N C -2.379 173.275 175.510 0.238 0.000 1.170 37 N CA -2.089 51.086 53.050 0.208 0.000 0.807 37 N CB 1.238 39.821 38.487 0.160 0.000 1.183 37 N HN 0.286 nan 8.380 nan 0.000 0.524 38 P HA -0.199 nan 4.420 nan 0.000 0.216 38 P C 1.233 178.702 177.300 0.281 0.000 1.153 38 P CA 1.061 64.326 63.100 0.275 0.000 0.858 38 P CB 0.240 32.058 31.700 0.197 0.000 0.789 39 R N -0.510 120.130 120.500 0.233 0.000 2.080 39 R HA -0.163 4.177 4.340 0.001 0.000 0.236 39 R C 2.168 178.467 176.300 -0.002 0.000 1.137 39 R CA 1.469 57.629 56.100 0.101 0.000 0.943 39 R CB -1.203 29.140 30.300 0.072 0.000 0.846 39 R HN 0.061 nan 8.270 nan 0.000 0.431 40 L N 0.631 121.875 121.223 0.034 0.000 2.083 40 L HA -0.078 4.262 4.340 0.001 0.000 0.209 40 L C 2.223 179.088 176.870 -0.008 0.000 1.083 40 L CA 2.142 56.993 54.840 0.019 0.000 0.752 40 L CB -0.667 41.423 42.059 0.052 0.000 0.899 40 L HN 0.294 nan 8.230 nan 0.000 0.433 41 A N -0.425 122.374 122.820 -0.034 0.000 1.883 41 A HA -0.151 4.170 4.320 0.001 0.000 0.217 41 A C 2.464 179.980 177.584 -0.112 0.000 1.186 41 A CA 2.039 53.989 52.037 -0.144 0.000 0.624 41 A CB -1.242 17.481 19.000 -0.462 0.000 0.822 41 A HN 0.581 nan 8.150 nan 0.000 0.444 42 A N -0.494 122.267 122.820 -0.099 0.000 1.898 42 A HA -0.128 4.193 4.320 0.001 0.000 0.216 42 A C 2.115 179.644 177.584 -0.093 0.000 1.181 42 A CA 1.730 53.695 52.037 -0.120 0.000 0.620 42 A CB -0.364 18.452 19.000 -0.306 0.000 0.819 42 A HN 0.377 nan 8.150 nan 0.000 0.442 43 K N -0.109 120.237 120.400 -0.091 0.000 2.032 43 K HA -0.188 4.132 4.320 0.001 0.000 0.209 43 K C 2.174 178.787 176.600 0.021 0.000 1.048 43 K CA 1.763 58.026 56.287 -0.040 0.000 0.927 43 K CB -0.546 31.934 32.500 -0.034 0.000 0.712 43 K HN 0.686 nan 8.250 nan 0.000 0.441 44 Q N -0.464 119.345 119.800 0.016 0.000 2.061 44 Q HA -0.135 4.206 4.340 0.001 0.000 0.204 44 Q C 2.214 178.230 176.000 0.028 0.000 0.984 44 Q CA 1.691 57.519 55.803 0.043 0.000 0.846 44 Q CB -0.353 28.408 28.738 0.039 0.000 0.902 44 Q HN 0.489 nan 8.270 nan 0.000 0.421 45 G N 0.481 109.280 108.800 -0.001 0.000 2.402 45 G HA2 -0.194 3.766 3.960 0.001 0.000 0.216 45 G HA3 -0.194 3.766 3.960 0.001 0.000 0.216 45 G C 1.383 176.279 174.900 -0.007 0.000 1.162 45 G CA 0.350 45.439 45.100 -0.018 0.000 0.777 45 G HN 0.166 nan 8.290 nan 0.000 0.539 46 L N -0.077 121.174 121.223 0.046 0.000 2.046 46 L HA -0.011 4.329 4.340 0.001 0.000 0.208 46 L C 2.894 179.895 176.870 0.218 0.000 1.077 46 L CA 0.547 55.475 54.840 0.148 0.000 0.747 46 L CB -0.335 41.821 42.059 0.161 0.000 0.896 46 L HN 0.187 nan 8.230 nan 0.000 0.432 47 L N -0.314 121.022 121.223 0.189 0.000 2.083 47 L HA -0.243 4.097 4.340 0.001 0.000 0.209 47 L C 2.794 179.638 176.870 -0.044 0.000 1.083 47 L CA 1.220 56.147 54.840 0.145 0.000 0.752 47 L CB -0.542 41.621 42.059 0.175 0.000 0.899 47 L HN 0.265 nan 8.230 nan 0.000 0.433 48 K N 0.338 120.614 120.400 -0.206 0.000 2.057 48 K HA -0.162 4.158 4.320 0.001 0.000 0.206 48 K C 2.104 178.440 176.600 -0.441 0.000 1.050 48 K CA 1.496 57.367 56.287 -0.693 0.000 0.935 48 K CB -0.078 32.003 32.500 -0.700 0.000 0.715 48 K HN 0.258 nan 8.250 nan 0.000 0.439 49 M N 0.562 120.034 119.600 -0.213 0.000 2.065 49 M HA -0.209 4.271 4.480 0.001 0.000 0.259 49 M C 2.300 178.517 176.300 -0.137 0.000 1.069 49 M CA 1.746 56.967 55.300 -0.133 0.000 1.110 49 M CB -0.321 32.252 32.600 -0.045 0.000 1.328 49 M HN -0.044 nan 8.290 nan 0.000 0.405 50 K N 0.704 120.995 120.400 -0.181 0.000 2.032 50 K HA -0.088 4.233 4.320 0.001 0.000 0.209 50 K C 1.819 178.296 176.600 -0.204 0.000 1.048 50 K CA 1.914 57.997 56.287 -0.340 0.000 0.927 50 K CB -0.643 31.324 32.500 -0.888 0.000 0.712 50 K HN 0.294 nan 8.250 nan 0.000 0.441 51 A N 0.720 123.472 122.820 -0.112 0.000 1.883 51 A HA -0.163 4.157 4.320 0.001 0.000 0.217 51 A C 2.265 179.905 177.584 0.093 0.000 1.186 51 A CA 1.885 53.956 52.037 0.056 0.000 0.624 51 A CB -0.827 18.368 19.000 0.325 0.000 0.822 51 A HN 0.326 nan 8.150 nan 0.000 0.444 52 L N -1.065 120.181 121.223 0.039 0.000 2.056 52 L HA -0.184 4.156 4.340 0.001 0.000 0.207 52 L C 3.119 180.103 176.870 0.190 0.000 1.078 52 L CA 1.075 55.997 54.840 0.137 0.000 0.749 52 L CB -0.703 41.349 42.059 -0.012 0.000 0.901 52 L HN 0.472 nan 8.230 nan 0.000 0.433 53 A N 0.026 122.871 122.820 0.041 0.000 1.902 53 A HA -0.221 4.099 4.320 0.001 0.000 0.217 53 A C 1.882 179.455 177.584 -0.018 0.000 1.181 53 A CA 1.882 53.920 52.037 0.003 0.000 0.623 53 A CB -0.508 18.460 19.000 -0.054 0.000 0.818 53 A HN 0.348 nan 8.150 nan 0.000 0.443 54 D N 0.149 120.531 120.400 -0.031 0.000 2.218 54 D HA -0.036 4.604 4.640 0.001 0.000 0.204 54 D C 1.751 178.036 176.300 -0.024 0.000 0.976 54 D CA 1.364 55.340 54.000 -0.040 0.000 0.853 54 D CB -0.259 40.512 40.800 -0.049 0.000 0.939 54 D HN 0.454 nan 8.370 nan 0.000 0.481 55 A N -0.551 122.289 122.820 0.033 0.000 2.278 55 A HA 0.457 4.778 4.320 0.001 0.000 0.212 55 A C 1.693 179.122 177.584 -0.257 0.000 1.213 55 A CA 0.871 52.913 52.037 0.009 0.000 0.840 55 A CB -0.095 19.052 19.000 0.245 0.000 0.866 55 A HN 0.228 nan 8.150 nan 0.000 0.489 56 G N -1.791 106.852 108.800 -0.260 0.000 2.176 56 G HA2 -0.229 3.731 3.960 0.001 0.000 0.232 56 G HA3 -0.229 3.731 3.960 0.001 0.000 0.232 56 G C -0.096 174.457 174.900 -0.578 0.000 0.986 56 G CA -0.035 44.801 45.100 -0.440 0.000 0.643 56 G HN 0.376 nan 8.290 nan 0.000 0.522 57 F N 1.781 121.666 119.950 -0.108 0.000 2.375 57 F HA 0.471 4.999 4.527 0.003 0.000 0.362 57 F C -1.690 174.054 175.800 -0.093 0.000 1.129 57 F CA -2.371 55.568 58.000 -0.103 0.000 1.154 57 F CB 1.187 40.153 39.000 -0.057 0.000 1.205 57 F HN -0.177 nan 8.300 nan 0.000 0.513 58 P HA -0.115 nan 4.420 nan 0.000 0.257 58 P C -0.760 176.538 177.300 -0.004 0.000 1.162 58 P CA 0.501 63.625 63.100 0.040 0.000 0.762 58 P CB 0.391 32.177 31.700 0.143 0.000 0.753 59 Q N 2.871 122.629 119.800 -0.071 0.000 2.372 59 Q HA 0.772 5.112 4.340 0.001 0.000 0.273 59 Q C -1.506 174.337 176.000 -0.262 0.000 1.078 59 Q CA -0.787 54.931 55.803 -0.141 0.000 0.806 59 Q CB 1.987 30.678 28.738 -0.079 0.000 1.332 59 Q HN 0.443 nan 8.270 nan 0.000 0.435 60 A N 2.038 124.612 122.820 -0.409 0.000 2.564 60 A HA 0.910 5.231 4.320 0.001 0.000 0.288 60 A C -1.460 175.975 177.584 -0.249 0.000 1.164 60 A CA -0.525 51.219 52.037 -0.487 0.000 0.712 60 A CB 1.468 19.770 19.000 -1.162 0.000 1.303 60 A HN 0.525 nan 8.150 nan 0.000 0.418 61 V N 0.278 120.119 119.914 -0.121 0.000 2.823 61 V HA 0.577 4.697 4.120 0.001 0.000 0.312 61 V C -0.834 175.312 176.094 0.087 0.000 1.072 61 V CA -0.310 61.990 62.300 -0.000 0.000 0.937 61 V CB 1.819 33.626 31.823 -0.027 0.000 1.013 61 V HN 0.687 nan 8.190 nan 0.000 0.430 62 I N 5.280 125.913 120.570 0.105 0.000 2.447 62 I HA 0.407 4.577 4.170 0.001 0.000 0.287 62 I C -2.403 173.765 176.117 0.086 0.000 1.023 62 I CA -1.896 59.470 61.300 0.111 0.000 1.083 62 I CB 2.855 40.944 38.000 0.149 0.000 1.245 62 I HN 0.461 nan 8.210 nan 0.000 0.434 63 P HA 0.242 nan 4.420 nan 0.000 0.272 63 P C -2.682 174.758 177.300 0.233 0.000 1.240 63 P CA -1.184 61.987 63.100 0.117 0.000 0.791 63 P CB 0.134 31.898 31.700 0.107 0.000 0.978 64 P HA 0.200 nan 4.420 nan 0.000 0.279 64 P C -0.183 177.371 177.300 0.422 0.000 1.282 64 P CA -0.025 63.233 63.100 0.264 0.000 0.788 64 P CB 0.804 32.626 31.700 0.203 0.000 1.139 65 H N -1.867 117.223 119.070 0.033 0.000 2.630 65 H HA 0.228 4.784 4.556 0.000 0.000 0.343 65 H C 0.019 175.261 175.328 -0.144 0.000 1.232 65 H CA -0.861 55.191 56.048 0.007 0.000 1.294 65 H CB 1.167 30.912 29.762 -0.029 0.000 1.746 65 H HN 0.459 nan 8.280 nan 0.000 0.593 66 E N 1.901 122.095 120.200 -0.011 0.000 2.292 66 E HA 0.006 4.356 4.350 0.001 0.000 0.265 66 E C -0.728 175.935 176.600 0.105 0.000 1.093 66 E CA -0.166 56.243 56.400 0.015 0.000 0.922 66 E CB 0.201 30.082 29.700 0.303 0.000 1.001 66 E HN 0.296 nan 8.360 nan 0.000 0.444 67 R N 4.616 125.119 120.500 0.005 0.000 2.548 67 R HA 0.342 4.683 4.340 0.001 0.000 0.280 67 R C -2.690 173.583 176.300 -0.045 0.000 1.061 67 R CA -2.227 53.888 56.100 0.025 0.000 0.915 67 R CB 1.347 31.651 30.300 0.006 0.000 1.210 67 R HN 0.471 nan 8.270 nan 0.000 0.442 68 P HA 0.046 nan 4.420 nan 0.000 0.267 68 P C -0.529 176.840 177.300 0.116 0.000 1.200 68 P CA -0.127 62.993 63.100 0.033 0.000 0.772 68 P CB 0.302 31.992 31.700 -0.015 0.000 0.855 69 F N 4.299 124.239 119.950 -0.018 0.000 2.451 69 F HA 0.163 4.691 4.527 0.001 0.000 0.356 69 F C 1.065 176.871 175.800 0.009 0.000 1.178 69 F CA -0.470 57.533 58.000 0.005 0.000 1.210 69 F CB -0.381 38.632 39.000 0.023 0.000 1.504 69 F HN 0.153 nan 8.300 nan 0.000 0.598 70 I N 6.031 126.469 120.570 -0.220 0.000 2.208 70 I HA -0.187 3.984 4.170 0.001 0.000 0.245 70 I C -0.398 175.528 176.117 -0.318 0.000 1.097 70 I CA 1.017 62.187 61.300 -0.217 0.000 1.363 70 I CB -2.172 35.740 38.000 -0.146 0.000 1.051 70 I HN 0.350 nan 8.210 nan 0.000 0.413 71 P HA -0.135 nan 4.420 nan 0.000 0.216 71 P C 2.258 179.391 177.300 -0.278 0.000 1.154 71 P CA 1.237 64.051 63.100 -0.478 0.000 0.865 71 P CB 0.005 31.271 31.700 -0.723 0.000 0.789 72 V N -0.835 118.915 119.914 -0.273 0.000 2.407 72 V HA -0.216 3.904 4.120 0.001 0.000 0.248 72 V C 2.392 178.491 176.094 0.008 0.000 1.055 72 V CA 1.546 63.850 62.300 0.007 0.000 1.049 72 V CB -1.174 30.764 31.823 0.191 0.000 0.662 72 V HN 0.096 nan 8.190 nan 0.000 0.455 73 L N -0.648 120.571 121.223 -0.007 0.000 2.083 73 L HA -0.150 4.191 4.340 0.001 0.000 0.209 73 L C 2.776 179.740 176.870 0.155 0.000 1.083 73 L CA 1.520 56.408 54.840 0.079 0.000 0.752 73 L CB -0.621 41.451 42.059 0.022 0.000 0.899 73 L HN 0.242 nan 8.230 nan 0.000 0.433 74 R N -0.286 120.243 120.500 0.048 0.000 2.115 74 R HA -0.187 4.153 4.340 0.001 0.000 0.230 74 R C 2.195 178.495 176.300 0.000 0.000 1.111 74 R CA 1.076 57.197 56.100 0.035 0.000 0.976 74 R CB -0.264 30.029 30.300 -0.013 0.000 0.870 74 R HN 0.473 nan 8.270 nan 0.000 0.445 75 Q N 0.707 120.501 119.800 -0.011 0.000 2.224 75 Q HA -0.044 4.296 4.340 0.001 0.000 0.203 75 Q C 1.615 177.582 176.000 -0.055 0.000 0.970 75 Q CA 0.815 56.605 55.803 -0.021 0.000 0.865 75 Q CB 0.188 28.928 28.738 0.004 0.000 0.922 75 Q HN 0.340 nan 8.270 nan 0.000 0.445 76 L N -1.248 119.937 121.223 -0.063 0.000 2.591 76 L HA 0.174 4.515 4.340 0.001 0.000 0.228 76 L C 1.085 177.799 176.870 -0.260 0.000 1.133 76 L CA 0.538 55.291 54.840 -0.145 0.000 0.880 76 L CB 0.296 42.248 42.059 -0.179 0.000 1.033 76 L HN 0.446 nan 8.230 nan 0.000 0.450 77 G N -0.525 108.143 108.800 -0.219 0.000 2.179 77 G HA2 -0.260 3.700 3.960 0.001 0.000 0.220 77 G HA3 -0.260 3.700 3.960 0.001 0.000 0.220 77 G C 0.038 174.696 174.900 -0.403 0.000 0.990 77 G CA -0.633 44.272 45.100 -0.325 0.000 0.646 77 G HN 0.165 nan 8.290 nan 0.000 0.517 78 F N 2.664 122.602 119.950 -0.020 0.000 2.411 78 F HA 0.616 5.143 4.527 0.001 0.000 0.350 78 F C 1.020 176.811 175.800 -0.016 0.000 1.114 78 F CA 0.084 58.081 58.000 -0.006 0.000 1.135 78 F CB 1.684 40.686 39.000 0.003 0.000 1.120 78 F HN 0.262 nan 8.300 nan 0.000 0.495 79 S N 1.672 117.451 115.700 0.130 0.000 2.715 79 S HA 1.007 5.478 4.470 0.001 0.000 0.307 79 S C -0.118 174.521 174.600 0.066 0.000 1.119 79 S CA -0.306 57.935 58.200 0.069 0.000 0.937 79 S CB 1.866 65.082 63.200 0.026 0.000 1.150 79 S HN 1.418 nan 8.310 nan 0.000 0.521 80 G N 0.709 109.532 108.800 0.038 0.000 2.362 80 G HA2 0.226 4.186 3.960 0.001 0.000 0.517 80 G HA3 0.226 4.186 3.960 0.001 0.000 0.517 80 G C -0.220 174.691 174.900 0.018 0.000 1.256 80 G CA -0.345 44.772 45.100 0.028 0.000 1.027 80 G HN 1.924 nan 8.290 nan 0.000 0.491 81 S N -0.290 115.417 115.700 0.012 0.000 2.617 81 S HA 0.407 4.877 4.470 0.001 0.000 0.259 81 S C 1.014 175.612 174.600 -0.003 0.000 1.301 81 S CA 0.807 59.009 58.200 0.003 0.000 0.984 81 S CB 0.999 64.200 63.200 0.001 0.000 0.954 81 S HN 0.597 nan 8.310 nan 0.000 0.572 82 D N 1.090 121.481 120.400 -0.014 0.000 2.104 82 D HA -0.104 4.536 4.640 0.001 0.000 0.194 82 D C 1.829 178.111 176.300 -0.031 0.000 0.994 82 D CA 1.678 55.660 54.000 -0.029 0.000 0.830 82 D CB -0.538 40.237 40.800 -0.042 0.000 0.959 82 D HN 0.694 nan 8.370 nan 0.000 0.452 83 E N 0.843 121.027 120.200 -0.027 0.000 2.118 83 E HA -0.152 4.198 4.350 0.001 0.000 0.195 83 E C 2.150 178.738 176.600 -0.020 0.000 0.992 83 E CA 0.816 57.199 56.400 -0.028 0.000 0.804 83 E CB -0.256 29.430 29.700 -0.023 0.000 0.741 83 E HN 0.404 nan 8.360 nan 0.000 0.458 84 Q N -0.108 119.688 119.800 -0.007 0.000 2.119 84 Q HA -0.087 4.253 4.340 0.001 0.000 0.201 84 Q C 2.206 178.213 176.000 0.011 0.000 0.972 84 Q CA 1.131 56.938 55.803 0.006 0.000 0.847 84 Q CB 0.054 28.803 28.738 0.018 0.000 0.903 84 Q HN 0.181 nan 8.270 nan 0.000 0.433 85 V N 1.214 121.132 119.914 0.006 0.000 2.295 85 V HA -0.278 3.843 4.120 0.001 0.000 0.246 85 V C 2.232 178.283 176.094 -0.072 0.000 1.049 85 V CA 1.532 63.834 62.300 0.003 0.000 1.024 85 V CB -0.531 31.293 31.823 0.003 0.000 0.648 85 V HN 0.353 nan 8.190 nan 0.000 0.447 86 L N -0.028 121.154 121.223 -0.067 0.000 2.012 86 L HA -0.208 4.133 4.340 0.001 0.000 0.210 86 L C 2.787 179.608 176.870 -0.081 0.000 1.073 86 L CA 2.107 56.896 54.840 -0.084 0.000 0.748 86 L CB -0.724 41.295 42.059 -0.066 0.000 0.891 86 L HN 0.439 nan 8.230 nan 0.000 0.431 87 E N 1.157 121.327 120.200 -0.050 0.000 2.038 87 E HA -0.254 4.096 4.350 0.001 0.000 0.195 87 E C 2.072 178.653 176.600 -0.031 0.000 1.000 87 E CA 1.626 58.005 56.400 -0.034 0.000 0.803 87 E CB -0.001 29.690 29.700 -0.014 0.000 0.750 87 E HN 0.435 nan 8.360 nan 0.000 0.448 88 K N 0.105 120.495 120.400 -0.016 0.000 2.063 88 K HA -0.114 4.206 4.320 0.001 0.000 0.208 88 K C 2.335 178.888 176.600 -0.077 0.000 1.048 88 K CA 1.563 57.868 56.287 0.029 0.000 0.928 88 K CB -0.084 32.509 32.500 0.155 0.000 0.713 88 K HN 0.046 nan 8.250 nan 0.000 0.442 89 V N 1.204 120.935 119.914 -0.305 0.000 2.323 89 V HA -0.204 3.916 4.120 0.001 0.000 0.244 89 V C 2.350 178.337 176.094 -0.178 0.000 1.041 89 V CA 1.947 63.950 62.300 -0.496 0.000 1.025 89 V CB -0.647 30.819 31.823 -0.595 0.000 0.656 89 V HN 0.343 nan 8.190 nan 0.000 0.451 90 A N 0.176 122.928 122.820 -0.113 0.000 1.972 90 A HA -0.240 4.081 4.320 0.001 0.000 0.219 90 A C 2.438 180.004 177.584 -0.030 0.000 1.169 90 A CA 2.011 54.014 52.037 -0.056 0.000 0.635 90 A CB -0.519 18.449 19.000 -0.053 0.000 0.810 90 A HN 0.485 nan 8.150 nan 0.000 0.446 91 R N -0.842 119.645 120.500 -0.022 0.000 2.161 91 R HA 0.016 4.356 4.340 0.001 0.000 0.213 91 R C 1.773 178.093 176.300 0.033 0.000 1.055 91 R CA 1.397 57.500 56.100 0.005 0.000 0.996 91 R CB -0.139 30.168 30.300 0.013 0.000 0.901 91 R HN 0.658 nan 8.270 nan 0.000 0.456 92 Q N -1.083 118.753 119.800 0.059 0.000 2.423 92 Q HA 0.251 4.592 4.340 0.001 0.000 0.231 92 Q C -0.065 176.019 176.000 0.140 0.000 0.894 92 Q CA 0.610 56.490 55.803 0.128 0.000 0.938 92 Q CB 1.358 30.247 28.738 0.252 0.000 1.079 92 Q HN 0.269 nan 8.270 nan 0.000 0.552 93 A N 1.189 124.075 122.820 0.111 0.000 3.399 93 A HA 0.246 4.567 4.320 0.001 0.000 0.262 93 A C -2.268 175.356 177.584 0.066 0.000 1.145 93 A CA -0.822 51.282 52.037 0.112 0.000 0.916 93 A CB 0.420 19.611 19.000 0.318 0.000 1.360 93 A HN -0.058 nan 8.150 nan 0.000 0.628 94 P HA -0.249 nan 4.420 nan 0.000 0.220 94 P C 1.138 178.492 177.300 0.090 0.000 1.144 94 P CA 1.548 64.672 63.100 0.040 0.000 0.800 94 P CB 0.112 31.824 31.700 0.020 0.000 0.772 95 H N -1.029 118.020 119.070 -0.034 0.000 2.387 95 H HA -0.106 4.451 4.556 0.001 0.000 0.299 95 H C 1.986 177.370 175.328 0.093 0.000 1.090 95 H CA 1.725 57.751 56.048 -0.036 0.000 1.332 95 H CB -1.012 28.621 29.762 -0.216 0.000 1.386 95 H HN 0.177 nan 8.280 nan 0.000 0.516 96 W N 0.145 121.472 121.300 0.045 0.000 2.363 96 W HA -0.139 4.522 4.660 0.001 0.000 0.296 96 W C 2.396 178.915 176.519 -0.000 0.000 1.212 96 W CA 0.319 57.690 57.345 0.044 0.000 1.260 96 W CB -0.127 29.392 29.460 0.097 0.000 1.131 96 W HN 0.211 nan 8.180 nan 0.000 0.530 97 L N -0.221 121.119 121.223 0.195 0.000 1.990 97 L HA -0.304 4.036 4.340 0.001 0.000 0.213 97 L C 2.490 179.403 176.870 0.071 0.000 1.072 97 L CA 1.594 56.482 54.840 0.079 0.000 0.755 97 L CB -0.786 41.278 42.059 0.008 0.000 0.889 97 L HN -0.113 nan 8.230 nan 0.000 0.432 98 S N -0.897 114.841 115.700 0.063 0.000 2.382 98 S HA -0.166 4.304 4.470 0.001 0.000 0.228 98 S C 2.011 176.685 174.600 0.123 0.000 1.027 98 S CA 1.426 59.700 58.200 0.124 0.000 0.991 98 S CB -0.069 63.237 63.200 0.178 0.000 0.823 98 S HN 0.403 nan 8.310 nan 0.000 0.469 99 S N 0.955 116.709 115.700 0.090 0.000 2.442 99 S HA -0.071 4.400 4.470 0.001 0.000 0.236 99 S C 1.671 176.342 174.600 0.119 0.000 1.007 99 S CA 1.262 59.558 58.200 0.160 0.000 0.965 99 S CB -0.147 63.329 63.200 0.460 0.000 0.773 99 S HN 0.595 nan 8.310 nan 0.000 0.504 100 V N -2.248 117.748 119.914 0.137 0.000 3.427 100 V HA 0.433 4.553 4.120 0.001 0.000 0.305 100 V C 0.487 176.652 176.094 0.120 0.000 1.412 100 V CA -0.059 62.310 62.300 0.115 0.000 1.086 100 V CB 0.488 32.401 31.823 0.150 0.000 0.964 100 V HN 0.201 nan 8.190 nan 0.000 0.439 101 S N 0.163 115.935 115.700 0.120 0.000 2.855 101 S HA 0.315 4.785 4.470 0.001 0.000 0.249 101 S C 0.582 175.305 174.600 0.206 0.000 1.033 101 S CA 0.157 58.428 58.200 0.118 0.000 1.038 101 S CB 0.426 63.652 63.200 0.043 0.000 0.960 101 S HN 0.563 nan 8.310 nan 0.000 0.548 102 S N 1.684 117.468 115.700 0.140 0.000 2.565 102 S HA 0.565 5.035 4.470 0.001 0.000 0.274 102 S C 0.863 175.452 174.600 -0.018 0.000 1.309 102 S CA -0.377 57.849 58.200 0.042 0.000 1.043 102 S CB 0.960 64.214 63.200 0.091 0.000 0.939 102 S HN 0.446 nan 8.310 nan 0.000 0.504 103 A N 3.427 126.195 122.820 -0.086 0.000 2.411 103 A HA 0.224 4.544 4.320 0.001 0.000 0.251 103 A C 1.850 179.243 177.584 -0.318 0.000 1.317 103 A CA 0.449 52.395 52.037 -0.151 0.000 0.904 103 A CB -0.886 18.057 19.000 -0.096 0.000 0.993 103 A HN 1.088 nan 8.150 nan 0.000 0.504 104 S N 1.359 116.948 115.700 -0.185 0.000 2.420 104 S HA -0.114 4.356 4.470 0.001 0.000 0.237 104 S C -0.325 174.142 174.600 -0.222 0.000 1.023 104 S CA 1.397 59.528 58.200 -0.116 0.000 0.991 104 S CB -1.419 61.946 63.200 0.275 0.000 0.792 104 S HN 0.518 nan 8.310 nan 0.000 0.488 105 P HA -0.116 nan 4.420 nan 0.000 0.229 105 P C 1.729 178.863 177.300 -0.278 0.000 1.150 105 P CA 1.047 63.923 63.100 -0.373 0.000 0.765 105 P CB -0.520 30.616 31.700 -0.940 0.000 0.783 106 M N -3.784 115.554 119.600 -0.437 0.000 2.279 106 M HA -0.063 4.417 4.480 0.001 0.000 0.264 106 M C 0.515 176.587 176.300 -0.380 0.000 1.062 106 M CA 1.439 56.461 55.300 -0.463 0.000 1.099 106 M CB -0.863 31.312 32.600 -0.708 0.000 1.394 106 M HN -0.172 nan 8.290 nan 0.000 0.426 107 W N 3.748 125.074 121.300 0.043 0.000 2.072 107 W HA 0.342 5.002 4.660 0.000 0.000 0.413 107 W C 1.217 177.763 176.519 0.045 0.000 0.865 107 W CA -0.776 56.610 57.345 0.068 0.000 1.579 107 W CB -0.523 29.005 29.460 0.114 0.000 1.720 107 W HN 0.154 nan 8.180 nan 0.000 0.301 108 V N 0.620 120.629 119.914 0.158 0.000 3.241 108 V HA -0.118 4.002 4.120 0.001 0.000 0.269 108 V C 1.914 178.072 176.094 0.105 0.000 1.151 108 V CA 1.629 63.997 62.300 0.113 0.000 1.158 108 V CB -0.933 30.953 31.823 0.106 0.000 0.764 108 V HN 0.316 nan 8.190 nan 0.000 0.508 109 A N 1.261 124.161 122.820 0.133 0.000 2.070 109 A HA -0.122 4.198 4.320 0.001 0.000 0.220 109 A C 1.830 179.423 177.584 0.014 0.000 1.159 109 A CA 1.982 54.063 52.037 0.073 0.000 0.656 109 A CB -0.846 18.202 19.000 0.079 0.000 0.800 109 A HN 0.707 nan 8.150 nan 0.000 0.453 110 N N -0.728 117.997 118.700 0.041 0.000 2.236 110 N HA 0.337 5.077 4.740 0.001 0.000 0.196 110 N C 1.402 176.929 175.510 0.027 0.000 1.114 110 N CA 0.470 53.520 53.050 0.000 0.000 0.859 110 N CB 0.232 38.745 38.487 0.042 0.000 0.982 110 N HN 0.413 nan 8.380 nan 0.000 0.493 111 A N 0.475 123.315 122.820 0.034 0.000 1.898 111 A HA 0.446 4.766 4.320 0.001 0.000 0.216 111 A C 1.021 178.608 177.584 0.005 0.000 1.181 111 A CA 1.455 53.510 52.037 0.030 0.000 0.620 111 A CB -0.006 19.016 19.000 0.036 0.000 0.819 111 A HN 0.311 nan 8.150 nan 0.000 0.442 112 A N -3.265 119.542 122.820 -0.022 0.000 2.511 112 A HA 0.593 4.913 4.320 0.001 0.000 0.293 112 A C -0.692 176.847 177.584 -0.075 0.000 1.098 112 A CA -0.060 51.952 52.037 -0.041 0.000 0.643 112 A CB 0.061 19.017 19.000 -0.072 0.000 1.302 112 A HN 0.173 nan 8.150 nan 0.000 0.446 113 T N 1.726 116.225 114.554 -0.090 0.000 2.797 113 T HA 0.584 4.934 4.350 0.001 0.000 0.279 113 T C -0.338 174.241 174.700 -0.201 0.000 0.991 113 T CA -0.251 61.730 62.100 -0.199 0.000 0.979 113 T CB 0.616 69.377 68.868 -0.177 0.000 0.943 113 T HN 0.435 nan 8.240 nan 0.000 0.444 114 I N 2.470 122.886 120.570 -0.257 0.000 2.437 114 I HA 0.655 4.826 4.170 0.001 0.000 0.298 114 I C 0.210 176.279 176.117 -0.081 0.000 0.984 114 I CA -1.174 60.033 61.300 -0.154 0.000 1.214 114 I CB 1.174 39.101 38.000 -0.123 0.000 1.365 114 I HN 0.714 nan 8.210 nan 0.000 0.469 115 A N 8.025 130.857 122.820 0.019 0.000 2.363 115 A HA 0.745 5.065 4.320 0.001 0.000 0.296 115 A C -2.655 174.997 177.584 0.113 0.000 1.237 115 A CA -1.409 50.685 52.037 0.095 0.000 0.773 115 A CB 0.832 19.904 19.000 0.120 0.000 1.153 115 A HN 0.398 nan 8.150 nan 0.000 0.473 116 P HA 0.061 nan 4.420 nan 0.000 0.270 116 P C 1.217 178.585 177.300 0.113 0.000 1.223 116 P CA 0.179 63.347 63.100 0.113 0.000 0.785 116 P CB 0.831 32.606 31.700 0.126 0.000 0.923 117 S N 1.105 116.862 115.700 0.095 0.000 2.469 117 S HA -0.172 4.299 4.470 0.001 0.000 0.238 117 S C 1.727 176.369 174.600 0.071 0.000 0.998 117 S CA 1.043 59.290 58.200 0.078 0.000 0.957 117 S CB -1.162 62.056 63.200 0.029 0.000 0.764 117 S HN 0.484 nan 8.310 nan 0.000 0.514 118 A N 1.404 124.271 122.820 0.078 0.000 2.168 118 A HA 0.065 4.385 4.320 0.001 0.000 0.215 118 A C 1.379 179.003 177.584 0.068 0.000 1.152 118 A CA 1.047 53.127 52.037 0.071 0.000 0.716 118 A CB -0.192 18.860 19.000 0.087 0.000 0.794 118 A HN 0.484 nan 8.150 nan 0.000 0.465 119 D N -0.623 119.823 120.400 0.076 0.000 2.398 119 D HA 0.084 4.724 4.640 0.001 0.000 0.210 119 D C 0.684 177.013 176.300 0.048 0.000 1.094 119 D CA 0.898 54.938 54.000 0.066 0.000 0.839 119 D CB 0.270 41.121 40.800 0.085 0.000 0.963 119 D HN 0.504 nan 8.370 nan 0.000 0.506 120 T N -2.170 112.414 114.554 0.050 0.000 2.929 120 T HA 0.428 4.779 4.350 0.001 0.000 0.284 120 T C 1.489 176.198 174.700 0.014 0.000 1.014 120 T CA -0.720 61.390 62.100 0.016 0.000 1.051 120 T CB 1.631 70.523 68.868 0.040 0.000 1.028 120 T HN -0.167 nan 8.240 nan 0.000 0.485 121 L N 0.880 122.093 121.223 -0.016 0.000 2.201 121 L HA 0.030 4.371 4.340 0.001 0.000 0.212 121 L C 1.870 178.755 176.870 0.024 0.000 1.105 121 L CA 1.329 56.169 54.840 -0.001 0.000 0.775 121 L CB -0.430 41.617 42.059 -0.019 0.000 0.913 121 L HN 0.820 nan 8.230 nan 0.000 0.440 122 D N -1.442 118.993 120.400 0.058 0.000 2.398 122 D HA 0.088 4.729 4.640 0.001 0.000 0.210 122 D C 1.372 177.717 176.300 0.075 0.000 1.094 122 D CA 0.507 54.555 54.000 0.080 0.000 0.839 122 D CB 0.280 41.156 40.800 0.127 0.000 0.963 122 D HN 0.148 nan 8.370 nan 0.000 0.506 123 G N 0.491 109.336 108.800 0.075 0.000 2.153 123 G HA2 -0.324 3.636 3.960 0.001 0.000 0.252 123 G HA3 -0.324 3.636 3.960 0.001 0.000 0.252 123 G C 0.162 175.085 174.900 0.038 0.000 0.994 123 G CA 0.522 45.651 45.100 0.050 0.000 0.698 123 G HN 0.478 nan 8.290 nan 0.000 0.521 124 K N -0.795 119.658 120.400 0.089 0.000 2.211 124 K HA 0.664 4.984 4.320 0.001 0.000 0.237 124 K C 0.184 176.820 176.600 0.059 0.000 1.002 124 K CA -0.958 55.319 56.287 -0.017 0.000 0.885 124 K CB 2.162 34.590 32.500 -0.120 0.000 1.136 124 K HN -0.011 nan 8.250 nan 0.000 0.448 125 V N 2.511 122.390 119.914 -0.058 0.000 2.461 125 V HA 0.109 4.229 4.120 0.001 0.000 0.275 125 V C -0.154 175.920 176.094 -0.033 0.000 1.047 125 V CA -0.271 62.065 62.300 0.059 0.000 0.955 125 V CB 0.532 32.462 31.823 0.179 0.000 0.988 125 V HN 0.589 nan 8.190 nan 0.000 0.471 126 H N 5.300 124.372 119.070 0.004 0.000 2.466 126 H HA 0.564 5.120 4.556 0.000 0.000 0.338 126 H C -1.220 174.055 175.328 -0.088 0.000 1.091 126 H CA -0.652 55.384 56.048 -0.019 0.000 1.207 126 H CB 2.124 31.951 29.762 0.109 0.000 1.466 126 H HN 0.351 nan 8.280 nan 0.000 0.493 127 L N 2.845 124.009 121.223 -0.099 0.000 2.372 127 L HA 0.240 4.581 4.340 0.001 0.000 0.274 127 L C 0.194 177.036 176.870 -0.046 0.000 0.988 127 L CA -0.332 54.420 54.840 -0.146 0.000 0.833 127 L CB 1.898 43.755 42.059 -0.337 0.000 1.236 127 L HN 0.516 nan 8.230 nan 0.000 0.410 128 T N 2.351 116.931 114.554 0.042 0.000 2.758 128 T HA 0.486 4.836 4.350 0.001 0.000 0.285 128 T C 0.193 174.918 174.700 0.041 0.000 0.981 128 T CA -0.473 61.692 62.100 0.108 0.000 0.965 128 T CB 1.356 70.317 68.868 0.156 0.000 0.927 128 T HN 0.180 nan 8.240 nan 0.000 0.448 129 V N 3.144 123.081 119.914 0.039 0.000 2.655 129 V HA 0.364 4.484 4.120 0.001 0.000 0.300 129 V C 0.847 176.967 176.094 0.043 0.000 1.044 129 V CA -0.612 61.704 62.300 0.025 0.000 1.095 129 V CB 0.440 32.278 31.823 0.025 0.000 0.952 129 V HN 1.043 nan 8.190 nan 0.000 0.485 130 A N 3.917 126.760 122.820 0.039 0.000 2.328 130 A HA 0.415 4.736 4.320 0.001 0.000 0.284 130 A C 1.121 178.739 177.584 0.057 0.000 1.160 130 A CA -0.367 51.701 52.037 0.052 0.000 0.818 130 A CB 0.118 19.146 19.000 0.046 0.000 1.087 130 A HN 1.008 nan 8.150 nan 0.000 0.504 131 N N 2.690 121.430 118.700 0.066 0.000 2.244 131 N HA -0.138 4.603 4.740 0.001 0.000 0.183 131 N C 0.522 176.072 175.510 0.067 0.000 1.016 131 N CA 1.180 54.269 53.050 0.066 0.000 0.866 131 N CB -0.810 37.720 38.487 0.071 0.000 0.980 131 N HN 0.767 nan 8.380 nan 0.000 0.430 132 L N -0.157 121.113 121.223 0.078 0.000 3.717 132 L HA -0.264 4.077 4.340 0.001 0.000 0.414 132 L C 1.159 178.079 176.870 0.084 0.000 1.228 132 L CA 0.452 55.340 54.840 0.081 0.000 0.918 132 L CB -2.090 39.997 42.059 0.046 0.000 1.865 132 L HN 0.459 nan 8.230 nan 0.000 0.922 133 N N 1.125 119.885 118.700 0.101 0.000 2.272 133 N HA -0.205 4.535 4.740 0.001 0.000 0.185 133 N C 1.469 177.060 175.510 0.136 0.000 1.014 133 N CA 1.633 54.753 53.050 0.117 0.000 0.870 133 N CB 0.048 38.600 38.487 0.109 0.000 0.975 133 N HN 0.664 nan 8.380 nan 0.000 0.433 134 N N 0.629 119.408 118.700 0.132 0.000 2.104 134 N HA -0.111 4.630 4.740 0.001 0.000 0.190 134 N C -0.411 175.196 175.510 0.162 0.000 1.024 134 N CA 1.018 54.154 53.050 0.142 0.000 0.853 134 N CB 0.122 38.691 38.487 0.137 0.000 1.008 134 N HN 0.102 nan 8.380 nan 0.000 0.424 135 K N 1.033 121.512 120.400 0.132 0.000 2.293 135 K HA 0.055 4.376 4.320 0.001 0.000 0.267 135 K C 0.486 177.195 176.600 0.182 0.000 1.010 135 K CA -0.553 55.831 56.287 0.161 0.000 0.875 135 K CB 0.751 33.267 32.500 0.027 0.000 1.106 135 K HN 0.095 nan 8.250 nan 0.000 0.450 136 F N 4.479 124.542 119.950 0.187 0.000 2.087 136 F HA -0.362 4.166 4.527 0.001 0.000 0.299 136 F C 2.472 178.381 175.800 0.183 0.000 1.100 136 F CA 1.975 60.093 58.000 0.196 0.000 1.226 136 F CB 0.159 39.330 39.000 0.285 0.000 0.983 136 F HN 0.778 nan 8.300 nan 0.000 0.479 137 H N 0.257 119.279 119.070 -0.080 0.000 2.421 137 H HA -0.095 4.462 4.556 0.001 0.000 0.298 137 H C 1.863 177.103 175.328 -0.147 0.000 1.087 137 H CA 1.642 57.562 56.048 -0.214 0.000 1.330 137 H CB -0.746 28.995 29.762 -0.035 0.000 1.388 137 H HN 0.370 nan 8.280 nan 0.000 0.526 138 R N 0.809 120.988 120.500 -0.536 0.000 2.173 138 R HA -0.001 4.340 4.340 0.001 0.000 0.208 138 R C 2.676 178.886 176.300 -0.149 0.000 1.035 138 R CA 0.886 56.784 56.100 -0.336 0.000 1.004 138 R CB -0.014 30.088 30.300 -0.329 0.000 0.917 138 R HN 0.481 nan 8.270 nan 0.000 0.462 139 S N 1.368 117.010 115.700 -0.096 0.000 2.442 139 S HA -0.077 4.393 4.470 0.001 0.000 0.236 139 S C 1.989 176.570 174.600 -0.031 0.000 1.007 139 S CA 0.842 59.040 58.200 -0.004 0.000 0.965 139 S CB -0.398 62.863 63.200 0.102 0.000 0.773 139 S HN 0.238 nan 8.310 nan 0.000 0.504 140 L N 0.793 121.939 121.223 -0.129 0.000 2.376 140 L HA 0.017 4.358 4.340 0.001 0.000 0.219 140 L C 2.668 179.474 176.870 -0.107 0.000 1.133 140 L CA 1.048 55.815 54.840 -0.122 0.000 0.816 140 L CB -0.598 41.334 42.059 -0.212 0.000 0.933 140 L HN 0.406 nan 8.230 nan 0.000 0.449 141 E N 0.672 120.827 120.200 -0.076 0.000 2.072 141 E HA -0.187 4.164 4.350 0.001 0.000 0.191 141 E C 2.406 179.046 176.600 0.067 0.000 0.985 141 E CA 0.999 57.401 56.400 0.005 0.000 0.801 141 E CB -0.172 29.504 29.700 -0.040 0.000 0.750 141 E HN 0.479 nan 8.360 nan 0.000 0.452 142 A N 2.056 124.898 122.820 0.035 0.000 1.894 142 A HA -0.237 4.083 4.320 0.001 0.000 0.220 142 A C -0.233 177.366 177.584 0.025 0.000 1.237 142 A CA 2.217 54.278 52.037 0.039 0.000 0.660 142 A CB -1.866 17.158 19.000 0.040 0.000 0.835 142 A HN 0.167 nan 8.150 nan 0.000 0.461 143 P HA -0.131 nan 4.420 nan 0.000 0.214 143 P C 1.649 178.925 177.300 -0.040 0.000 1.163 143 P CA 1.741 64.843 63.100 0.003 0.000 0.889 143 P CB -0.147 31.570 31.700 0.029 0.000 0.790 144 V N -0.955 118.907 119.914 -0.088 0.000 2.379 144 V HA -0.194 3.927 4.120 0.001 0.000 0.245 144 V C 2.316 178.280 176.094 -0.217 0.000 1.044 144 V CA 2.365 64.540 62.300 -0.210 0.000 1.036 144 V CB -1.749 29.834 31.823 -0.399 0.000 0.664 144 V HN 0.180 nan 8.190 nan 0.000 0.453 145 T N -0.490 114.031 114.554 -0.056 0.000 2.720 145 T HA -0.266 4.084 4.350 0.001 0.000 0.268 145 T C 1.869 176.552 174.700 -0.028 0.000 1.037 145 T CA 1.929 64.044 62.100 0.026 0.000 1.144 145 T CB -0.207 68.733 68.868 0.119 0.000 0.864 145 T HN 0.606 nan 8.240 nan 0.000 0.444 146 E N 0.471 120.652 120.200 -0.031 0.000 2.077 146 E HA -0.126 4.224 4.350 0.001 0.000 0.193 146 E C 2.371 178.933 176.600 -0.064 0.000 0.989 146 E CA 1.182 57.560 56.400 -0.037 0.000 0.800 146 E CB -0.033 29.655 29.700 -0.020 0.000 0.746 146 E HN 0.358 nan 8.360 nan 0.000 0.452 147 S N 0.653 116.296 115.700 -0.095 0.000 2.368 147 S HA -0.125 4.346 4.470 0.001 0.000 0.225 147 S C 1.973 176.480 174.600 -0.156 0.000 1.030 147 S CA 0.876 58.999 58.200 -0.129 0.000 0.999 147 S CB -0.197 62.901 63.200 -0.170 0.000 0.844 147 S HN 0.262 nan 8.310 nan 0.000 0.459 148 L N 1.029 122.148 121.223 -0.174 0.000 2.046 148 L HA -0.094 4.246 4.340 0.001 0.000 0.208 148 L C 2.249 179.065 176.870 -0.089 0.000 1.077 148 L CA 1.037 55.781 54.840 -0.161 0.000 0.747 148 L CB -0.605 41.375 42.059 -0.130 0.000 0.896 148 L HN 0.290 nan 8.230 nan 0.000 0.432 149 L N -0.374 120.825 121.223 -0.039 0.000 2.056 149 L HA -0.203 4.138 4.340 0.001 0.000 0.207 149 L C 2.576 179.470 176.870 0.040 0.000 1.078 149 L CA 1.352 56.219 54.840 0.046 0.000 0.749 149 L CB -0.460 41.602 42.059 0.005 0.000 0.901 149 L HN 0.235 nan 8.230 nan 0.000 0.433 150 K N 0.048 120.430 120.400 -0.029 0.000 2.211 150 K HA -0.063 4.257 4.320 0.001 0.000 0.203 150 K C 2.001 178.564 176.600 -0.062 0.000 1.050 150 K CA 1.121 57.388 56.287 -0.034 0.000 0.945 150 K CB -0.087 32.385 32.500 -0.047 0.000 0.732 150 K HN 0.260 nan 8.250 nan 0.000 0.451 151 A N 0.515 123.274 122.820 -0.101 0.000 2.169 151 A HA 0.064 4.384 4.320 0.001 0.000 0.212 151 A C 1.800 179.284 177.584 -0.166 0.000 1.153 151 A CA 0.635 52.595 52.037 -0.128 0.000 0.756 151 A CB -0.138 18.767 19.000 -0.158 0.000 0.813 151 A HN 0.125 nan 8.150 nan 0.000 0.471 152 I N -2.587 117.851 120.570 -0.220 0.000 2.947 152 I HA 0.101 4.271 4.170 0.001 0.000 0.263 152 I C -0.044 175.671 176.117 -0.671 0.000 1.130 152 I CA 0.475 61.517 61.300 -0.430 0.000 1.448 152 I CB 0.235 37.917 38.000 -0.531 0.000 1.222 152 I HN 0.207 nan 8.210 nan 0.000 0.453 153 F N 2.542 122.273 119.950 -0.365 0.000 2.508 153 F HA 0.171 4.697 4.527 -0.000 0.000 0.329 153 F C 0.784 176.453 175.800 -0.219 0.000 1.198 153 F CA -0.766 56.846 58.000 -0.646 0.000 1.268 153 F CB -0.594 37.794 39.000 -1.021 0.000 1.584 153 F HN 0.137 nan 8.300 nan 0.000 0.570 154 N N -1.249 117.446 118.700 -0.009 0.000 2.362 154 N HA -0.049 4.691 4.740 0.001 0.000 0.204 154 N C -0.472 175.113 175.510 0.126 0.000 1.166 154 N CA 0.033 53.113 53.050 0.050 0.000 0.831 154 N CB -0.030 38.447 38.487 -0.017 0.000 1.008 154 N HN 0.163 nan 8.380 nan 0.000 0.472 155 D N 0.913 121.488 120.400 0.291 0.000 2.477 155 D HA 0.103 4.744 4.640 0.001 0.000 0.239 155 D C 0.072 176.462 176.300 0.149 0.000 1.102 155 D CA -0.258 53.864 54.000 0.204 0.000 0.901 155 D CB 0.637 41.559 40.800 0.203 0.000 1.026 155 D HN 0.185 nan 8.370 nan 0.000 0.515 156 E N 1.497 121.738 120.200 0.068 0.000 2.396 156 E HA -0.163 4.188 4.350 0.001 0.000 0.200 156 E C 0.882 177.456 176.600 -0.043 0.000 1.023 156 E CA 0.807 57.215 56.400 0.015 0.000 0.857 156 E CB 0.442 30.144 29.700 0.003 0.000 0.775 156 E HN 0.629 nan 8.360 nan 0.000 0.525 157 E N 0.400 120.562 120.200 -0.063 0.000 2.170 157 E HA -0.065 4.285 4.350 0.001 0.000 0.191 157 E C 1.717 178.206 176.600 -0.185 0.000 0.981 157 E CA 0.534 56.876 56.400 -0.096 0.000 0.830 157 E CB 0.219 29.872 29.700 -0.079 0.000 0.775 157 E HN 0.036 nan 8.360 nan 0.000 0.470 158 K N 0.183 120.395 120.400 -0.314 0.000 2.214 158 K HA 0.154 4.475 4.320 0.001 0.000 0.201 158 K C 0.417 176.524 176.600 -0.823 0.000 1.049 158 K CA 0.577 56.461 56.287 -0.671 0.000 0.978 158 K CB 0.294 32.134 32.500 -1.100 0.000 0.842 158 K HN 0.019 nan 8.250 nan 0.000 0.474 159 F N 0.401 120.303 119.950 -0.080 0.000 2.546 159 F HA 0.384 4.911 4.527 0.001 0.000 0.320 159 F C 0.028 175.678 175.800 -0.250 0.000 1.076 159 F CA -1.030 56.875 58.000 -0.160 0.000 0.928 159 F CB 2.001 40.959 39.000 -0.070 0.000 1.189 159 F HN -0.383 nan 8.300 nan 0.000 0.465 160 S N 1.512 117.065 115.700 -0.245 0.000 2.659 160 S HA 0.560 5.031 4.470 0.001 0.000 0.312 160 S C -0.958 173.311 174.600 -0.551 0.000 1.114 160 S CA -0.675 57.263 58.200 -0.436 0.000 1.063 160 S CB 1.536 64.319 63.200 -0.695 0.000 0.996 160 S HN 0.337 nan 8.310 nan 0.000 0.478 161 V N 5.634 125.302 119.914 -0.409 0.000 2.370 161 V HA 0.385 4.505 4.120 0.001 0.000 0.279 161 V C -0.347 175.542 176.094 -0.343 0.000 1.029 161 V CA -0.640 61.454 62.300 -0.343 0.000 0.870 161 V CB 0.714 32.438 31.823 -0.165 0.000 0.984 161 V HN 0.784 nan 8.190 nan 0.000 0.451 162 H N 1.983 121.056 119.070 0.004 0.000 2.463 162 H HA 0.459 5.015 4.556 0.000 0.000 0.332 162 H C 0.227 175.563 175.328 0.014 0.000 1.127 162 H CA -0.551 55.511 56.048 0.023 0.000 1.238 162 H CB 1.774 31.567 29.762 0.051 0.000 1.478 162 H HN 0.551 nan 8.280 nan 0.000 0.499 163 S N 0.845 116.630 115.700 0.140 0.000 2.584 163 S HA 0.278 4.749 4.470 0.001 0.000 0.270 163 S C 0.667 175.315 174.600 0.081 0.000 1.346 163 S CA -0.534 57.715 58.200 0.081 0.000 1.018 163 S CB 0.645 63.884 63.200 0.065 0.000 0.899 163 S HN 0.774 nan 8.310 nan 0.000 0.542 164 A N 2.129 124.986 122.820 0.061 0.000 2.448 164 A HA 0.341 4.662 4.320 0.001 0.000 0.239 164 A C 0.341 177.959 177.584 0.056 0.000 1.080 164 A CA -0.302 51.771 52.037 0.060 0.000 0.779 164 A CB -0.207 18.826 19.000 0.054 0.000 1.026 164 A HN 0.769 nan 8.150 nan 0.000 0.499 165 L N 1.311 122.567 121.223 0.054 0.000 2.476 165 L HA 0.178 4.519 4.340 0.001 0.000 0.264 165 L C -1.841 175.056 176.870 0.045 0.000 1.224 165 L CA -1.475 53.392 54.840 0.044 0.000 0.821 165 L CB -0.136 41.949 42.059 0.043 0.000 1.101 165 L HN 0.458 nan 8.230 nan 0.000 0.488 166 P HA -0.073 nan 4.420 nan 0.000 0.264 166 P C -0.956 176.374 177.300 0.051 0.000 1.183 166 P CA 0.096 63.221 63.100 0.040 0.000 0.763 166 P CB 0.264 31.982 31.700 0.030 0.000 0.807 167 Q N 2.287 122.122 119.800 0.059 0.000 2.641 167 Q HA 0.213 4.553 4.340 0.001 0.000 0.225 167 Q C -0.111 175.931 176.000 0.071 0.000 1.309 167 Q CA 0.171 56.018 55.803 0.073 0.000 0.935 167 Q CB -0.262 28.528 28.738 0.087 0.000 1.557 167 Q HN 0.280 nan 8.270 nan 0.000 0.563 168 V N -3.005 116.949 119.914 0.066 0.000 3.087 168 V HA 0.684 4.804 4.120 0.001 0.000 0.306 168 V C 0.795 176.928 176.094 0.065 0.000 1.187 168 V CA -0.515 61.822 62.300 0.061 0.000 0.999 168 V CB 1.457 33.307 31.823 0.045 0.000 1.049 168 V HN 0.330 nan 8.190 nan 0.000 0.431 169 A N 1.644 124.503 122.820 0.066 0.000 1.940 169 A HA -0.122 4.198 4.320 0.001 0.000 0.219 169 A C 1.773 179.392 177.584 0.059 0.000 1.176 169 A CA 2.349 54.428 52.037 0.071 0.000 0.631 169 A CB -0.695 18.346 19.000 0.070 0.000 0.814 169 A HN 1.395 nan 8.150 nan 0.000 0.446 170 L N -0.909 120.339 121.223 0.042 0.000 2.187 170 L HA -0.002 4.338 4.340 0.001 0.000 0.213 170 L C 1.167 178.050 176.870 0.021 0.000 1.100 170 L CA 1.622 56.477 54.840 0.024 0.000 0.765 170 L CB -0.165 41.901 42.059 0.011 0.000 0.904 170 L HN 0.368 nan 8.230 nan 0.000 0.437 171 L N -0.010 121.234 121.223 0.034 0.000 3.154 171 L HA 0.383 4.723 4.340 0.001 0.000 0.266 171 L C 0.777 177.686 176.870 0.064 0.000 1.300 171 L CA -0.418 54.444 54.840 0.037 0.000 1.028 171 L CB -0.206 41.870 42.059 0.028 0.000 1.412 171 L HN 0.159 nan 8.230 nan 0.000 0.564 172 G N 0.104 108.952 108.800 0.080 0.000 2.272 172 G HA2 0.168 4.128 3.960 0.001 0.000 0.247 172 G HA3 0.168 4.128 3.960 0.001 0.000 0.247 172 G C -0.872 174.101 174.900 0.122 0.000 1.272 172 G CA 0.187 45.351 45.100 0.106 0.000 0.921 172 G HN 0.231 nan 8.290 nan 0.000 0.495 173 D N 1.053 121.527 120.400 0.123 0.000 2.757 173 D HA 0.299 4.940 4.640 0.001 0.000 0.249 173 D C 0.461 176.838 176.300 0.129 0.000 1.168 173 D CA -0.641 53.438 54.000 0.132 0.000 0.870 173 D CB 1.556 42.423 40.800 0.112 0.000 1.411 173 D HN 0.239 nan 8.370 nan 0.000 0.525 174 E N 2.121 122.402 120.200 0.136 0.000 2.538 174 E HA 0.302 4.652 4.350 0.001 0.000 0.207 174 E C 1.127 177.723 176.600 -0.006 0.000 1.002 174 E CA 0.124 56.577 56.400 0.088 0.000 0.952 174 E CB 0.638 30.431 29.700 0.154 0.000 1.031 174 E HN 0.787 nan 8.360 nan 0.000 0.476 175 G N 1.807 110.629 108.800 0.036 0.000 2.539 175 G HA2 -0.404 3.556 3.960 0.001 0.000 0.256 175 G HA3 -0.404 3.556 3.960 0.001 0.000 0.256 175 G C 1.110 175.990 174.900 -0.033 0.000 1.233 175 G CA 0.627 45.726 45.100 -0.002 0.000 0.936 175 G HN 0.349 nan 8.290 nan 0.000 0.571 176 A N -0.643 122.142 122.820 -0.058 0.000 1.986 176 A HA 0.171 4.492 4.320 0.001 0.000 0.220 176 A C 3.005 180.582 177.584 -0.011 0.000 1.171 176 A CA 3.607 55.623 52.037 -0.034 0.000 0.640 176 A CB -1.029 17.957 19.000 -0.024 0.000 0.811 176 A HN 2.427 nan 8.150 nan 0.000 0.451 177 A N -0.383 122.389 122.820 -0.080 0.000 2.076 177 A HA -0.180 4.140 4.320 0.001 0.000 0.220 177 A C 1.599 179.152 177.584 -0.052 0.000 1.160 177 A CA 1.652 53.616 52.037 -0.121 0.000 0.653 177 A CB -0.607 18.163 19.000 -0.384 0.000 0.801 177 A HN 0.725 nan 8.150 nan 0.000 0.455 178 N N -1.704 116.995 118.700 -0.002 0.000 2.214 178 N HA 0.092 4.832 4.740 0.001 0.000 0.214 178 N C 0.008 175.562 175.510 0.073 0.000 1.132 178 N CA -0.133 52.962 53.050 0.074 0.000 0.856 178 N CB 0.268 38.843 38.487 0.147 0.000 1.020 178 N HN 0.583 nan 8.380 nan 0.000 0.509 179 H N 0.571 119.567 119.070 -0.123 0.000 2.616 179 H HA 0.443 4.999 4.556 0.000 0.000 0.353 179 H C -0.943 174.287 175.328 -0.164 0.000 1.170 179 H CA -0.398 55.489 56.048 -0.269 0.000 1.212 179 H CB 1.136 30.680 29.762 -0.363 0.000 1.653 179 H HN 0.077 nan 8.280 nan 0.000 0.537 180 N N 2.001 120.291 118.700 -0.682 0.000 2.484 180 N HA 0.208 4.948 4.740 0.001 0.000 0.269 180 N C -1.369 173.859 175.510 -0.469 0.000 1.237 180 N CA -0.702 52.126 53.050 -0.370 0.000 0.838 180 N CB 3.079 41.453 38.487 -0.188 0.000 1.593 180 N HN 0.526 nan 8.380 nan 0.000 0.485 181 R N 1.544 121.936 120.500 -0.179 0.000 2.514 181 R HA 0.521 4.861 4.340 0.001 0.000 0.296 181 R C -1.635 174.673 176.300 0.014 0.000 1.012 181 R CA -0.408 55.636 56.100 -0.092 0.000 0.897 181 R CB 1.056 31.360 30.300 0.007 0.000 1.184 181 R HN 0.509 nan 8.270 nan 0.000 0.440 182 L N 3.709 124.935 121.223 0.004 0.000 2.346 182 L HA 0.886 5.226 4.340 0.001 0.000 0.276 182 L C 0.376 177.272 176.870 0.043 0.000 1.006 182 L CA -0.592 54.279 54.840 0.053 0.000 0.817 182 L CB 2.287 44.390 42.059 0.074 0.000 1.272 182 L HN 0.931 nan 8.230 nan 0.000 0.421 183 G N 0.775 109.602 108.800 0.044 0.000 2.325 183 G HA2 0.424 4.384 3.960 0.001 0.000 0.295 183 G HA3 0.424 4.384 3.960 0.001 0.000 0.295 183 G C -0.394 174.493 174.900 -0.022 0.000 1.274 183 G CA -0.045 45.070 45.100 0.025 0.000 0.857 183 G HN 0.770 nan 8.290 nan 0.000 0.499 184 G N -1.375 107.411 108.800 -0.024 0.000 3.197 184 G HA2 0.396 4.356 3.960 0.001 0.000 0.167 184 G HA3 0.396 4.356 3.960 0.001 0.000 0.167 184 G C 0.141 174.934 174.900 -0.179 0.000 1.914 184 G CA -0.195 44.850 45.100 -0.092 0.000 0.956 184 G HN 0.649 nan 8.290 nan 0.000 0.480 185 H N -0.228 118.809 119.070 -0.055 0.000 2.815 185 H HA 0.086 4.645 4.556 0.005 0.000 0.350 185 H C 1.374 176.699 175.328 -0.006 0.000 1.080 185 H CA 0.314 56.318 56.048 -0.073 0.000 1.433 185 H CB 0.674 30.447 29.762 0.018 0.000 1.432 185 H HN 0.449 nan 8.280 nan 0.000 0.592 186 Y N 1.585 122.017 120.300 0.219 0.000 2.181 186 Y HA -0.253 4.296 4.550 -0.001 0.000 0.284 186 Y C 2.583 178.582 175.900 0.164 0.000 1.179 186 Y CA 1.005 59.212 58.100 0.179 0.000 1.179 186 Y CB -0.168 38.415 38.460 0.206 0.000 0.973 186 Y HN 0.773 nan 8.280 nan 0.000 0.519 187 G N -0.389 108.609 108.800 0.329 0.000 2.509 187 G HA2 -0.090 3.870 3.960 0.001 0.000 0.218 187 G HA3 -0.090 3.870 3.960 0.001 0.000 0.218 187 G C 0.328 175.319 174.900 0.152 0.000 1.124 187 G CA 0.129 45.355 45.100 0.210 0.000 0.776 187 G HN 0.338 nan 8.290 nan 0.000 0.547 188 E N 0.500 120.794 120.200 0.156 0.000 2.349 188 E HA 0.254 4.604 4.350 0.001 0.000 0.262 188 E C -2.414 174.246 176.600 0.100 0.000 1.088 188 E CA -2.021 54.446 56.400 0.111 0.000 0.899 188 E CB 0.734 30.499 29.700 0.108 0.000 1.044 188 E HN -0.025 nan 8.360 nan 0.000 0.420 189 P HA 0.018 nan 4.420 nan 0.000 0.264 189 P C -0.610 176.727 177.300 0.062 0.000 1.193 189 P CA 0.284 63.423 63.100 0.065 0.000 0.763 189 P CB 0.637 32.365 31.700 0.046 0.000 0.810 190 G N 2.118 110.957 108.800 0.065 0.000 2.511 190 G HA2 0.584 4.544 3.960 0.001 0.000 0.318 190 G HA3 0.584 4.544 3.960 0.001 0.000 0.318 190 G C -1.235 173.679 174.900 0.023 0.000 1.210 190 G CA -0.622 44.509 45.100 0.051 0.000 0.969 190 G HN 0.393 nan 8.290 nan 0.000 0.484 191 M N 1.044 120.640 119.600 -0.007 0.000 2.084 191 M HA 0.336 4.816 4.480 0.001 0.000 0.351 191 M C 0.027 176.280 176.300 -0.078 0.000 1.240 191 M CA -0.296 54.976 55.300 -0.045 0.000 1.083 191 M CB 0.611 33.163 32.600 -0.079 0.000 1.593 191 M HN 0.446 nan 8.290 nan 0.000 0.463 192 Q N 3.855 123.614 119.800 -0.068 0.000 2.274 192 Q HA 0.473 4.813 4.340 0.001 0.000 0.256 192 Q C -1.390 174.502 176.000 -0.181 0.000 0.927 192 Q CA -0.657 55.054 55.803 -0.154 0.000 0.939 192 Q CB 1.654 30.428 28.738 0.062 0.000 1.201 192 Q HN 0.692 nan 8.270 nan 0.000 0.426 193 L N 3.873 124.885 121.223 -0.351 0.000 2.294 193 L HA 0.456 4.796 4.340 0.001 0.000 0.283 193 L C -1.662 175.067 176.870 -0.235 0.000 1.015 193 L CA -0.176 54.520 54.840 -0.240 0.000 0.831 193 L CB 0.427 42.340 42.059 -0.243 0.000 1.217 193 L HN 0.395 nan 8.230 nan 0.000 0.420 194 F N 4.827 124.682 119.950 -0.157 0.000 2.405 194 F HA 0.508 5.035 4.527 0.000 0.000 0.355 194 F C 0.201 176.105 175.800 0.173 0.000 1.121 194 F CA -0.464 57.586 58.000 0.084 0.000 1.112 194 F CB 1.537 40.651 39.000 0.191 0.000 1.126 194 F HN 0.123 nan 8.300 nan 0.000 0.481 195 V N 5.189 125.283 119.914 0.300 0.000 2.435 195 V HA 0.408 4.528 4.120 0.001 0.000 0.290 195 V C -0.631 175.639 176.094 0.294 0.000 1.030 195 V CA -0.861 61.569 62.300 0.217 0.000 0.881 195 V CB 0.960 32.892 31.823 0.182 0.000 0.983 195 V HN 0.623 nan 8.190 nan 0.000 0.445 196 Y N 1.561 121.997 120.300 0.226 0.000 2.602 196 Y HA 0.854 5.405 4.550 0.000 0.000 0.342 196 Y C 0.892 176.878 175.900 0.144 0.000 1.029 196 Y CA -0.751 57.461 58.100 0.186 0.000 1.080 196 Y CB 1.773 40.336 38.460 0.170 0.000 1.284 196 Y HN 0.494 nan 8.280 nan 0.000 0.485 197 G N 0.513 109.491 108.800 0.296 0.000 2.656 197 G HA2 0.284 4.245 3.960 0.001 0.000 0.211 197 G HA3 0.284 4.245 3.960 0.001 0.000 0.211 197 G C 0.011 175.055 174.900 0.239 0.000 1.137 197 G CA -0.104 45.104 45.100 0.180 0.000 0.802 197 G HN 0.785 nan 8.290 nan 0.000 0.527 198 R N -0.306 120.412 120.500 0.363 0.000 2.747 198 R HA 0.649 4.990 4.340 0.001 0.000 0.272 198 R C -1.809 174.609 176.300 0.197 0.000 1.032 198 R CA -0.939 55.322 56.100 0.269 0.000 0.896 198 R CB 0.898 31.290 30.300 0.154 0.000 1.253 198 R HN 0.208 nan 8.270 nan 0.000 0.461 199 E N 0.299 120.553 120.200 0.089 0.000 2.363 199 E HA 0.172 4.522 4.350 0.001 0.000 0.281 199 E C -1.446 175.144 176.600 -0.017 0.000 0.953 199 E CA -1.049 55.323 56.400 -0.046 0.000 0.778 199 E CB 2.035 31.632 29.700 -0.171 0.000 1.220 199 E HN 0.648 nan 8.360 nan 0.000 0.431 200 E N 1.210 121.386 120.200 -0.040 0.000 2.502 200 E HA 0.152 4.503 4.350 0.001 0.000 0.261 200 E C 0.801 177.389 176.600 -0.020 0.000 0.974 200 E CA 1.722 58.109 56.400 -0.022 0.000 0.936 200 E CB 0.099 29.778 29.700 -0.034 0.000 0.926 200 E HN 0.898 nan 8.360 nan 0.000 0.459 201 G N 3.766 112.564 108.800 -0.003 0.000 2.159 201 G HA2 -0.280 3.681 3.960 0.001 0.000 0.256 201 G HA3 -0.280 3.681 3.960 0.001 0.000 0.256 201 G C -0.055 174.851 174.900 0.010 0.000 0.977 201 G CA 0.250 45.349 45.100 -0.001 0.000 0.652 201 G HN 0.620 nan 8.290 nan 0.000 0.531 202 N N 0.285 118.999 118.700 0.023 0.000 2.399 202 N HA 0.354 5.095 4.740 0.001 0.000 0.284 202 N C 0.231 175.768 175.510 0.046 0.000 1.025 202 N CA -0.436 52.638 53.050 0.039 0.000 0.885 202 N CB 1.432 39.956 38.487 0.061 0.000 1.339 202 N HN -0.064 nan 8.380 nan 0.000 0.487 203 D N 1.021 121.444 120.400 0.038 0.000 2.264 203 D HA -0.052 4.589 4.640 0.001 0.000 0.208 203 D C 0.019 176.344 176.300 0.042 0.000 0.966 203 D CA 1.151 55.172 54.000 0.036 0.000 0.864 203 D CB 0.091 40.907 40.800 0.027 0.000 0.933 203 D HN 0.461 nan 8.370 nan 0.000 0.499 204 T N 3.215 117.799 114.554 0.050 0.000 2.771 204 T HA 0.216 4.567 4.350 0.001 0.000 0.277 204 T C 0.541 175.280 174.700 0.065 0.000 0.919 204 T CA -0.005 62.126 62.100 0.051 0.000 1.163 204 T CB -0.068 68.834 68.868 0.056 0.000 0.876 204 T HN 0.254 nan 8.240 nan 0.000 0.545 205 R N 2.389 122.920 120.500 0.052 0.000 2.687 205 R HA 0.449 4.790 4.340 0.001 0.000 0.265 205 R C -3.443 172.884 176.300 0.046 0.000 1.048 205 R CA -1.970 54.167 56.100 0.062 0.000 0.884 205 R CB 0.452 30.797 30.300 0.074 0.000 1.258 205 R HN 0.183 nan 8.270 nan 0.000 0.469 206 P HA 0.018 nan 4.420 nan 0.000 0.269 206 P C 0.049 177.373 177.300 0.039 0.000 1.215 206 P CA -0.233 62.888 63.100 0.036 0.000 0.780 206 P CB 1.185 32.917 31.700 0.054 0.000 0.898 207 S N 0.556 116.264 115.700 0.013 0.000 2.603 207 S HA 0.153 4.624 4.470 0.001 0.000 0.232 207 S C 1.538 176.147 174.600 0.016 0.000 1.016 207 S CA -0.440 57.772 58.200 0.020 0.000 0.976 207 S CB 0.193 63.397 63.200 0.006 0.000 0.921 207 S HN 0.487 nan 8.310 nan 0.000 0.516 208 R N -0.075 120.405 120.500 -0.033 0.000 2.107 208 R HA 0.372 4.713 4.340 0.001 0.000 0.195 208 R C -0.420 175.910 176.300 0.051 0.000 1.214 208 R CA -0.016 56.034 56.100 -0.083 0.000 1.129 208 R CB 0.203 30.278 30.300 -0.375 0.000 1.045 208 R HN 0.424 nan 8.270 nan 0.000 0.489 209 Y N 2.503 122.789 120.300 -0.023 0.000 2.376 209 Y HA 0.409 4.960 4.550 0.001 0.000 0.325 209 Y C -1.893 174.012 175.900 0.008 0.000 1.199 209 Y CA -3.100 54.924 58.100 -0.127 0.000 1.206 209 Y CB 1.241 39.561 38.460 -0.234 0.000 1.229 209 Y HN 0.227 nan 8.280 nan 0.000 0.480 210 P HA 0.135 nan 4.420 nan 0.000 0.274 210 P C -1.302 176.080 177.300 0.136 0.000 1.231 210 P CA -0.376 62.829 63.100 0.175 0.000 0.790 210 P CB 1.204 33.017 31.700 0.187 0.000 0.951 211 A N 3.567 126.466 122.820 0.133 0.000 2.366 211 A HA 0.253 4.573 4.320 0.001 0.000 0.322 211 A C 1.386 179.058 177.584 0.145 0.000 1.397 211 A CA -0.659 51.458 52.037 0.133 0.000 0.984 211 A CB -0.176 18.905 19.000 0.134 0.000 1.149 211 A HN 0.441 nan 8.150 nan 0.000 0.540 212 R N 0.751 121.344 120.500 0.154 0.000 2.148 212 R HA -0.071 4.270 4.340 0.001 0.000 0.223 212 R C 0.541 176.952 176.300 0.185 0.000 1.088 212 R CA 0.879 57.081 56.100 0.169 0.000 0.985 212 R CB 0.063 30.480 30.300 0.195 0.000 0.880 212 R HN 0.742 nan 8.270 nan 0.000 0.451 213 Q N 1.477 121.403 119.800 0.209 0.000 2.290 213 Q HA 0.108 4.449 4.340 0.001 0.000 0.259 213 Q C -0.887 175.251 176.000 0.229 0.000 0.941 213 Q CA -0.305 55.634 55.803 0.226 0.000 0.912 213 Q CB 1.577 30.475 28.738 0.268 0.000 1.244 213 Q HN 0.103 nan 8.270 nan 0.000 0.441 214 T N 0.223 114.879 114.554 0.170 0.000 2.925 214 T HA 0.400 4.750 4.350 0.001 0.000 0.285 214 T C 0.726 175.423 174.700 -0.005 0.000 1.021 214 T CA -0.833 61.324 62.100 0.095 0.000 1.042 214 T CB 1.526 70.412 68.868 0.031 0.000 1.037 214 T HN 0.795 nan 8.240 nan 0.000 0.481 215 R N 0.493 120.806 120.500 -0.312 0.000 2.096 215 R HA -0.119 4.221 4.340 0.001 0.000 0.235 215 R C 1.691 177.749 176.300 -0.403 0.000 1.127 215 R CA 1.728 57.424 56.100 -0.673 0.000 0.968 215 R CB -0.275 29.221 30.300 -1.340 0.000 0.861 215 R HN 0.798 nan 8.270 nan 0.000 0.440 216 E N 0.327 120.361 120.200 -0.277 0.000 2.085 216 E HA -0.171 4.180 4.350 0.001 0.000 0.194 216 E C 1.810 178.332 176.600 -0.130 0.000 0.994 216 E CA 1.656 57.935 56.400 -0.202 0.000 0.801 216 E CB -0.222 29.400 29.700 -0.129 0.000 0.743 216 E HN 0.476 nan 8.360 nan 0.000 0.453 217 A N 0.286 123.072 122.820 -0.057 0.000 1.873 217 A HA -0.148 4.172 4.320 0.001 0.000 0.215 217 A C 2.338 179.944 177.584 0.037 0.000 1.186 217 A CA 1.636 53.679 52.037 0.011 0.000 0.616 217 A CB -0.622 18.419 19.000 0.067 0.000 0.823 217 A HN 0.192 nan 8.150 nan 0.000 0.442 218 S N 0.029 115.773 115.700 0.073 0.000 2.370 218 S HA -0.194 4.276 4.470 0.001 0.000 0.226 218 S C 1.837 176.417 174.600 -0.032 0.000 1.033 218 S CA 1.653 59.964 58.200 0.184 0.000 1.011 218 S CB -0.363 63.080 63.200 0.405 0.000 0.852 218 S HN 0.702 nan 8.310 nan 0.000 0.457 219 E N 1.259 121.332 120.200 -0.211 0.000 2.110 219 E HA -0.084 4.266 4.350 0.001 0.000 0.193 219 E C 2.375 178.892 176.600 -0.139 0.000 0.988 219 E CA 0.987 57.221 56.400 -0.277 0.000 0.804 219 E CB -0.261 29.138 29.700 -0.502 0.000 0.745 219 E HN 0.523 nan 8.360 nan 0.000 0.458 220 A N 1.136 123.890 122.820 -0.110 0.000 1.933 220 A HA -0.118 4.202 4.320 0.001 0.000 0.218 220 A C 2.496 180.054 177.584 -0.043 0.000 1.175 220 A CA 1.013 53.008 52.037 -0.070 0.000 0.628 220 A CB -0.508 18.464 19.000 -0.048 0.000 0.814 220 A HN 0.106 nan 8.150 nan 0.000 0.444 221 V N -0.245 119.666 119.914 -0.004 0.000 2.427 221 V HA -0.194 3.926 4.120 0.001 0.000 0.248 221 V C 3.017 179.134 176.094 0.037 0.000 1.051 221 V CA 1.683 64.021 62.300 0.063 0.000 1.048 221 V CB -1.106 30.838 31.823 0.203 0.000 0.666 221 V HN 0.602 nan 8.190 nan 0.000 0.456 222 A N -0.040 122.714 122.820 -0.110 0.000 1.933 222 A HA -0.225 4.095 4.320 0.001 0.000 0.218 222 A C 2.404 179.952 177.584 -0.060 0.000 1.175 222 A CA 1.792 53.747 52.037 -0.136 0.000 0.628 222 A CB -0.440 18.366 19.000 -0.323 0.000 0.814 222 A HN 0.498 nan 8.150 nan 0.000 0.444 223 R N -0.825 119.632 120.500 -0.072 0.000 2.062 223 R HA 0.038 4.378 4.340 0.001 0.000 0.229 223 R C 2.131 178.357 176.300 -0.123 0.000 1.128 223 R CA 1.278 57.328 56.100 -0.083 0.000 0.960 223 R CB -0.524 29.729 30.300 -0.079 0.000 0.855 223 R HN 0.491 nan 8.270 nan 0.000 0.432 224 L N 1.048 122.192 121.223 -0.132 0.000 2.042 224 L HA -0.211 4.129 4.340 0.001 0.000 0.210 224 L C 1.426 178.148 176.870 -0.247 0.000 1.076 224 L CA 1.144 55.831 54.840 -0.255 0.000 0.749 224 L CB -0.371 41.571 42.059 -0.195 0.000 0.893 224 L HN 0.189 nan 8.230 nan 0.000 0.432 225 N N 0.276 118.936 118.700 -0.066 0.000 2.449 225 N HA -0.061 4.679 4.740 0.001 0.000 0.191 225 N C 0.013 175.304 175.510 -0.365 0.000 1.161 225 N CA 0.182 53.202 53.050 -0.051 0.000 0.863 225 N CB 0.054 38.599 38.487 0.097 0.000 0.980 225 N HN 0.273 nan 8.380 nan 0.000 0.458 226 Q N -0.962 118.660 119.800 -0.297 0.000 2.435 226 Q HA -0.162 4.178 4.340 0.001 0.000 0.286 226 Q C -0.747 175.162 176.000 -0.151 0.000 1.229 226 Q CA 0.188 55.839 55.803 -0.253 0.000 0.884 226 Q CB -1.970 26.551 28.738 -0.362 0.000 1.245 226 Q HN 0.085 nan 8.270 nan 0.000 0.488 227 V N 1.237 121.109 119.914 -0.071 0.000 2.572 227 V HA -0.017 4.104 4.120 0.001 0.000 0.291 227 V C 1.049 177.138 176.094 -0.008 0.000 1.039 227 V CA 0.177 62.476 62.300 -0.002 0.000 1.055 227 V CB 1.041 32.910 31.823 0.077 0.000 0.969 227 V HN 0.409 nan 8.190 nan 0.000 0.482 228 N N 5.771 124.472 118.700 0.002 0.000 2.365 228 N HA -0.003 4.738 4.740 0.001 0.000 0.265 228 N C -1.655 173.855 175.510 -0.001 0.000 1.288 228 N CA -1.081 51.969 53.050 -0.000 0.000 0.869 228 N CB 0.969 39.461 38.487 0.008 0.000 1.071 228 N HN 0.387 nan 8.380 nan 0.000 0.480 229 P HA -0.179 nan 4.420 nan 0.000 0.220 229 P C 0.546 177.843 177.300 -0.005 0.000 1.144 229 P CA 1.089 64.188 63.100 -0.001 0.000 0.800 229 P CB 0.200 31.901 31.700 0.002 0.000 0.772 230 Q N -1.047 118.750 119.800 -0.005 0.000 2.444 230 Q HA 0.017 4.358 4.340 0.001 0.000 0.206 230 Q C 1.046 177.036 176.000 -0.017 0.000 0.948 230 Q CA 0.864 56.662 55.803 -0.009 0.000 0.946 230 Q CB -0.051 28.684 28.738 -0.005 0.000 1.027 230 Q HN 0.530 nan 8.270 nan 0.000 0.513 231 Q N -0.009 119.783 119.800 -0.014 0.000 2.175 231 Q HA 0.264 4.604 4.340 0.001 0.000 0.225 231 Q C -0.656 175.329 176.000 -0.026 0.000 0.837 231 Q CA -0.120 55.675 55.803 -0.014 0.000 1.032 231 Q CB 1.449 30.193 28.738 0.011 0.000 1.137 231 Q HN -0.066 nan 8.270 nan 0.000 0.483 232 V N 1.399 121.275 119.914 -0.063 0.000 2.588 232 V HA 0.536 4.656 4.120 0.001 0.000 0.304 232 V C -0.480 175.473 176.094 -0.236 0.000 1.042 232 V CA -0.620 61.590 62.300 -0.150 0.000 0.877 232 V CB 2.153 33.843 31.823 -0.223 0.000 0.996 232 V HN 0.196 nan 8.190 nan 0.000 0.425 233 I N 4.179 124.562 120.570 -0.311 0.000 2.619 233 I HA 0.528 4.699 4.170 0.001 0.000 0.292 233 I C -1.344 174.570 176.117 -0.338 0.000 1.100 233 I CA -0.336 60.814 61.300 -0.250 0.000 1.043 233 I CB 2.339 40.242 38.000 -0.163 0.000 1.239 233 I HN 0.419 nan 8.210 nan 0.000 0.420 234 F N 4.157 124.163 119.950 0.093 0.000 2.469 234 F HA 0.794 5.322 4.527 0.001 0.000 0.332 234 F C 0.319 176.206 175.800 0.144 0.000 1.103 234 F CA -0.586 57.530 58.000 0.194 0.000 0.979 234 F CB 2.011 41.138 39.000 0.210 0.000 1.137 234 F HN 0.421 nan 8.300 nan 0.000 0.463 235 A N 2.954 125.919 122.820 0.241 0.000 2.486 235 A HA 0.568 4.888 4.320 0.001 0.000 0.300 235 A C -1.293 176.066 177.584 -0.375 0.000 1.048 235 A CA -0.751 51.256 52.037 -0.050 0.000 0.696 235 A CB 1.697 20.562 19.000 -0.226 0.000 1.278 235 A HN 0.725 nan 8.150 nan 0.000 0.405 236 Q N 1.096 120.588 119.800 -0.513 0.000 2.261 236 Q HA 0.415 4.755 4.340 0.001 0.000 0.252 236 Q C -0.112 175.774 176.000 -0.189 0.000 0.915 236 Q CA -0.455 54.904 55.803 -0.740 0.000 0.915 236 Q CB 0.906 29.344 28.738 -0.500 0.000 1.204 236 Q HN 0.754 nan 8.270 nan 0.000 0.421 237 Q N 2.213 121.928 119.800 -0.143 0.000 2.392 237 Q HA 0.042 4.382 4.340 0.001 0.000 0.262 237 Q C -0.612 175.357 176.000 -0.052 0.000 1.003 237 Q CA -0.069 55.715 55.803 -0.031 0.000 0.888 237 Q CB 0.633 29.340 28.738 -0.052 0.000 1.260 237 Q HN 0.574 nan 8.270 nan 0.000 0.435 238 N N 3.967 122.617 118.700 -0.084 0.000 2.438 238 N HA 0.052 4.793 4.740 0.001 0.000 0.267 238 N C -2.144 173.329 175.510 -0.062 0.000 1.222 238 N CA -1.490 51.519 53.050 -0.068 0.000 0.930 238 N CB 0.946 39.372 38.487 -0.103 0.000 1.083 238 N HN 0.418 nan 8.380 nan 0.000 0.476 239 P HA -0.115 nan 4.420 nan 0.000 0.216 239 P C 0.413 177.695 177.300 -0.029 0.000 1.150 239 P CA 1.133 64.224 63.100 -0.014 0.000 0.843 239 P CB 0.306 32.008 31.700 0.003 0.000 0.787 240 D N -0.912 119.463 120.400 -0.042 0.000 2.182 240 D HA -0.127 4.513 4.640 0.001 0.000 0.201 240 D C 1.874 178.131 176.300 -0.072 0.000 0.986 240 D CA 1.380 55.347 54.000 -0.054 0.000 0.847 240 D CB -0.748 40.021 40.800 -0.052 0.000 0.942 240 D HN 0.169 nan 8.370 nan 0.000 0.467 241 V N -1.331 118.525 119.914 -0.097 0.000 2.788 241 V HA -0.013 4.108 4.120 0.001 0.000 0.251 241 V C 2.283 178.334 176.094 -0.072 0.000 1.068 241 V CA 0.568 62.792 62.300 -0.126 0.000 1.090 241 V CB -0.612 31.081 31.823 -0.217 0.000 0.710 241 V HN 0.081 nan 8.190 nan 0.000 0.467 242 I N 0.838 121.383 120.570 -0.041 0.000 2.286 242 I HA -0.161 4.010 4.170 0.001 0.000 0.248 242 I C 2.124 178.314 176.117 0.122 0.000 1.115 242 I CA 1.826 63.141 61.300 0.025 0.000 1.392 242 I CB -0.513 37.509 38.000 0.037 0.000 1.065 242 I HN 0.274 nan 8.210 nan 0.000 0.418 243 D N 0.605 121.029 120.400 0.039 0.000 2.392 243 D HA -0.122 4.518 4.640 0.001 0.000 0.228 243 D C 1.611 177.871 176.300 -0.066 0.000 1.003 243 D CA 0.900 54.864 54.000 -0.060 0.000 0.917 243 D CB 0.057 40.781 40.800 -0.125 0.000 0.890 243 D HN 0.517 nan 8.370 nan 0.000 0.532 244 Q N -1.460 118.384 119.800 0.073 0.000 2.189 244 Q HA 0.319 4.659 4.340 0.001 0.000 0.223 244 Q C 0.956 177.066 176.000 0.183 0.000 0.828 244 Q CA 0.183 56.040 55.803 0.089 0.000 0.967 244 Q CB 1.722 30.452 28.738 -0.014 0.000 1.139 244 Q HN 0.205 nan 8.270 nan 0.000 0.497 245 G N 0.255 109.197 108.800 0.238 0.000 2.260 245 G HA2 -0.188 3.773 3.960 0.001 0.000 0.179 245 G HA3 -0.188 3.773 3.960 0.001 0.000 0.179 245 G C 0.092 175.031 174.900 0.064 0.000 1.002 245 G CA -0.430 44.736 45.100 0.110 0.000 0.677 245 G HN 0.139 nan 8.290 nan 0.000 0.486 246 V N 3.609 123.502 119.914 -0.036 0.000 2.229 246 V HA 0.335 4.455 4.120 0.001 0.000 0.245 246 V C 1.474 177.469 176.094 -0.165 0.000 1.243 246 V CA 0.510 62.689 62.300 -0.201 0.000 1.176 246 V CB -1.229 30.458 31.823 -0.227 0.000 1.323 246 V HN 0.484 nan 8.190 nan 0.000 0.499 247 F N 1.004 120.826 119.950 -0.213 0.000 2.710 247 F HA 0.309 4.836 4.527 0.001 0.000 0.298 247 F C 0.861 176.457 175.800 -0.340 0.000 1.137 247 F CA -0.154 57.669 58.000 -0.296 0.000 1.444 247 F CB -0.458 38.292 39.000 -0.417 0.000 1.111 247 F HN 0.410 nan 8.300 nan 0.000 0.580 248 H N -0.569 118.261 119.070 -0.400 0.000 2.961 248 H HA 0.194 4.750 4.556 0.001 0.000 0.371 248 H C 0.609 175.779 175.328 -0.263 0.000 1.190 248 H CA -0.728 55.178 56.048 -0.238 0.000 1.138 248 H CB 1.230 30.838 29.762 -0.257 0.000 1.816 248 H HN -0.117 nan 8.280 nan 0.000 0.551 249 N N 1.270 119.969 118.700 -0.001 0.000 2.205 249 N HA -0.170 4.570 4.740 0.001 0.000 0.186 249 N C 0.628 176.057 175.510 -0.135 0.000 1.015 249 N CA 1.543 54.549 53.050 -0.074 0.000 0.862 249 N CB 0.090 38.595 38.487 0.031 0.000 0.986 249 N HN 0.711 nan 8.380 nan 0.000 0.429 250 D N 0.125 120.460 120.400 -0.109 0.000 2.358 250 D HA -0.046 4.594 4.640 0.001 0.000 0.241 250 D C 1.337 177.498 176.300 -0.233 0.000 1.094 250 D CA 0.200 54.130 54.000 -0.117 0.000 0.907 250 D CB -0.052 40.711 40.800 -0.061 0.000 0.893 250 D HN 0.125 nan 8.370 nan 0.000 0.528 251 V N -0.178 119.521 119.914 -0.358 0.000 3.660 251 V HA 0.244 4.365 4.120 0.001 0.000 0.276 251 V C 1.654 177.554 176.094 -0.323 0.000 1.317 251 V CA 0.219 62.208 62.300 -0.519 0.000 1.097 251 V CB 0.167 31.576 31.823 -0.690 0.000 0.863 251 V HN 0.243 nan 8.190 nan 0.000 0.438 252 I N -0.557 119.804 120.570 -0.347 0.000 4.541 252 I HA 0.654 4.824 4.170 0.001 0.000 0.337 252 I C 0.170 175.731 176.117 -0.926 0.000 1.338 252 I CA 0.304 61.254 61.300 -0.584 0.000 1.244 252 I CB 0.857 38.513 38.000 -0.574 0.000 1.417 252 I HN 0.189 nan 8.210 nan 0.000 0.501 253 A N 0.291 122.825 122.820 -0.476 0.000 2.594 253 A HA 0.718 5.039 4.320 0.001 0.000 0.296 253 A C -1.953 175.623 177.584 -0.013 0.000 1.061 253 A CA -0.404 51.437 52.037 -0.326 0.000 0.689 253 A CB 1.908 20.769 19.000 -0.232 0.000 1.280 253 A HN -0.011 nan 8.150 nan 0.000 0.406 254 V N 1.467 121.454 119.914 0.122 0.000 2.891 254 V HA 0.799 4.919 4.120 0.001 0.000 0.304 254 V C -0.424 175.795 176.094 0.208 0.000 1.171 254 V CA 0.359 62.766 62.300 0.179 0.000 0.943 254 V CB 2.328 34.295 31.823 0.240 0.000 1.037 254 V HN 1.997 nan 8.190 nan 0.000 0.427 255 S N 4.374 120.166 115.700 0.154 0.000 2.621 255 S HA 0.852 5.323 4.470 0.001 0.000 0.302 255 S C -0.727 173.960 174.600 0.144 0.000 1.093 255 S CA -0.669 57.620 58.200 0.148 0.000 1.017 255 S CB 1.844 65.108 63.200 0.106 0.000 1.077 255 S HN 1.239 nan 8.310 nan 0.000 0.517 256 N N 0.190 118.971 118.700 0.135 0.000 2.999 256 N HA 0.288 5.028 4.740 0.001 0.000 0.244 256 N C -0.107 175.446 175.510 0.071 0.000 1.106 256 N CA -0.311 52.827 53.050 0.148 0.000 1.018 256 N CB 0.695 39.269 38.487 0.144 0.000 1.600 256 N HN 0.755 nan 8.380 nan 0.000 0.621 257 R N 0.574 121.094 120.500 0.033 0.000 3.934 257 R HA -0.250 4.090 4.340 0.001 0.000 0.384 257 R C 0.906 177.200 176.300 -0.010 0.000 0.241 257 R CA 1.765 57.809 56.100 -0.095 0.000 1.241 257 R CB -1.535 28.639 30.300 -0.209 0.000 0.999 257 R HN 0.857 nan 8.270 nan 0.000 0.562 258 Q N 2.179 121.960 119.800 -0.032 0.000 2.425 258 Q HA 0.114 4.455 4.340 0.001 0.000 0.204 258 Q C 0.494 176.489 176.000 -0.008 0.000 0.933 258 Q CA 0.762 56.578 55.803 0.022 0.000 0.939 258 Q CB 0.340 29.064 28.738 -0.023 0.000 1.044 258 Q HN 0.328 nan 8.270 nan 0.000 0.513 259 V N 2.349 122.250 119.914 -0.023 0.000 2.509 259 V HA 0.292 4.412 4.120 0.001 0.000 0.284 259 V C -0.442 175.690 176.094 0.064 0.000 1.047 259 V CA -0.834 61.434 62.300 -0.054 0.000 0.952 259 V CB 1.407 33.210 31.823 -0.034 0.000 0.988 259 V HN 0.313 nan 8.190 nan 0.000 0.469 260 L N 6.021 127.274 121.223 0.051 0.000 2.388 260 L HA 0.537 4.877 4.340 0.001 0.000 0.267 260 L C -1.006 176.011 176.870 0.244 0.000 0.995 260 L CA -0.263 54.700 54.840 0.206 0.000 0.864 260 L CB 0.948 43.218 42.059 0.350 0.000 1.216 260 L HN 0.536 nan 8.230 nan 0.000 0.430 261 F N 6.613 126.634 119.950 0.118 0.000 2.413 261 F HA 0.607 5.134 4.527 0.001 0.000 0.359 261 F C 0.068 175.985 175.800 0.195 0.000 1.122 261 F CA -0.963 57.147 58.000 0.183 0.000 1.160 261 F CB 0.139 39.268 39.000 0.216 0.000 1.146 261 F HN 0.727 nan 8.300 nan 0.000 0.514 262 C N 4.928 124.117 119.300 -0.185 0.000 3.241 262 C HA 0.509 4.969 4.460 0.001 0.000 0.312 262 C C -0.427 174.145 174.990 -0.697 0.000 1.350 262 C CA -0.933 57.704 59.018 -0.636 0.000 1.415 262 C CB 1.547 29.131 27.740 -0.260 0.000 1.770 262 C HN 0.868 nan 8.230 nan 0.000 0.466 263 H N 0.728 119.118 119.070 -1.135 0.000 2.547 263 H HA 0.178 4.734 4.556 0.001 0.000 0.362 263 H C 0.943 176.056 175.328 -0.358 0.000 1.181 263 H CA 0.970 56.647 56.048 -0.618 0.000 1.376 263 H CB 1.475 30.859 29.762 -0.630 0.000 1.488 263 H HN 0.969 nan 8.280 nan 0.000 0.583 264 Q N 2.019 121.540 119.800 -0.465 0.000 2.170 264 Q HA -0.160 4.181 4.340 0.001 0.000 0.203 264 Q C 0.590 176.587 176.000 -0.005 0.000 0.976 264 Q CA 1.502 57.195 55.803 -0.184 0.000 0.858 264 Q CB 0.239 28.838 28.738 -0.232 0.000 0.907 264 Q HN 0.689 nan 8.270 nan 0.000 0.433 265 Q N -1.089 118.834 119.800 0.205 0.000 2.201 265 Q HA 0.243 4.583 4.340 0.001 0.000 0.217 265 Q C 1.171 177.060 176.000 -0.185 0.000 0.860 265 Q CA 0.150 55.963 55.803 0.017 0.000 0.984 265 Q CB 0.773 29.515 28.738 0.007 0.000 1.095 265 Q HN 0.381 nan 8.270 nan 0.000 0.477 266 A N 0.542 123.150 122.820 -0.354 0.000 1.877 266 A HA -0.041 4.279 4.320 0.001 0.000 0.216 266 A C 0.410 177.483 177.584 -0.852 0.000 1.186 266 A CA 1.119 52.682 52.037 -0.789 0.000 0.620 266 A CB 0.047 18.283 19.000 -1.273 0.000 0.822 266 A HN 0.298 nan 8.150 nan 0.000 0.443 267 F N -1.814 118.074 119.950 -0.103 0.000 2.538 267 F HA 0.658 5.186 4.527 0.001 0.000 0.325 267 F C 0.481 176.238 175.800 -0.072 0.000 1.066 267 F CA -0.871 57.071 58.000 -0.096 0.000 0.946 267 F CB 1.608 40.553 39.000 -0.090 0.000 1.199 267 F HN 0.127 nan 8.300 nan 0.000 0.473 268 A N 1.503 124.398 122.820 0.124 0.000 2.401 268 A HA 0.558 4.878 4.320 0.001 0.000 0.259 268 A C 0.428 178.051 177.584 0.066 0.000 1.103 268 A CA -0.596 51.474 52.037 0.056 0.000 0.789 268 A CB -0.074 18.940 19.000 0.023 0.000 1.035 268 A HN 0.952 nan 8.150 nan 0.000 0.491 269 R N 1.078 121.608 120.500 0.049 0.000 3.267 269 R HA -0.224 4.116 4.340 0.001 0.000 0.254 269 R C 0.875 177.204 176.300 0.048 0.000 0.993 269 R CA 0.928 57.050 56.100 0.038 0.000 0.670 269 R CB -1.903 28.413 30.300 0.026 0.000 1.125 269 R HN 0.976 nan 8.270 nan 0.000 0.434 270 Q N 1.142 120.991 119.800 0.083 0.000 2.084 270 Q HA -0.176 4.164 4.340 0.001 0.000 0.202 270 Q C 1.999 178.040 176.000 0.068 0.000 0.978 270 Q CA 2.166 58.041 55.803 0.121 0.000 0.844 270 Q CB 0.085 28.920 28.738 0.162 0.000 0.898 270 Q HN 0.648 nan 8.270 nan 0.000 0.426 271 S N 0.173 115.904 115.700 0.050 0.000 2.382 271 S HA -0.298 4.172 4.470 0.001 0.000 0.228 271 S C 1.953 176.564 174.600 0.019 0.000 1.027 271 S CA 1.270 59.493 58.200 0.039 0.000 0.991 271 S CB -0.576 62.643 63.200 0.032 0.000 0.823 271 S HN 0.681 nan 8.310 nan 0.000 0.469 272 Q N 0.884 120.689 119.800 0.008 0.000 2.079 272 Q HA -0.035 4.305 4.340 0.001 0.000 0.200 272 Q C 2.195 178.171 176.000 -0.040 0.000 0.974 272 Q CA 1.311 57.108 55.803 -0.010 0.000 0.840 272 Q CB -0.649 28.085 28.738 -0.005 0.000 0.898 272 Q HN 0.480 nan 8.270 nan 0.000 0.430 273 L N 0.861 122.047 121.223 -0.061 0.000 2.017 273 L HA -0.106 4.234 4.340 0.001 0.000 0.208 273 L C 2.161 178.938 176.870 -0.156 0.000 1.073 273 L CA 1.703 56.459 54.840 -0.140 0.000 0.745 273 L CB -0.500 41.418 42.059 -0.235 0.000 0.894 273 L HN 0.370 nan 8.230 nan 0.000 0.432 274 L N -0.586 120.596 121.223 -0.069 0.000 2.083 274 L HA -0.151 4.189 4.340 0.001 0.000 0.209 274 L C 2.697 179.558 176.870 -0.015 0.000 1.083 274 L CA 1.014 55.856 54.840 0.004 0.000 0.752 274 L CB -1.040 41.107 42.059 0.147 0.000 0.899 274 L HN 0.414 nan 8.230 nan 0.000 0.433 275 A N 0.578 123.390 122.820 -0.014 0.000 1.877 275 A HA -0.272 4.048 4.320 0.001 0.000 0.216 275 A C 2.080 179.629 177.584 -0.059 0.000 1.186 275 A CA 2.284 54.315 52.037 -0.011 0.000 0.620 275 A CB -0.714 18.282 19.000 -0.006 0.000 0.822 275 A HN 0.460 nan 8.150 nan 0.000 0.443 276 N N -0.098 118.543 118.700 -0.099 0.000 2.188 276 N HA -0.054 4.686 4.740 0.001 0.000 0.184 276 N C 1.535 176.921 175.510 -0.206 0.000 1.018 276 N CA 1.406 54.382 53.050 -0.123 0.000 0.858 276 N CB -0.373 38.044 38.487 -0.116 0.000 0.989 276 N HN 0.473 nan 8.380 nan 0.000 0.426 277 L N -0.070 120.941 121.223 -0.353 0.000 2.093 277 L HA -0.056 4.285 4.340 0.001 0.000 0.208 277 L C 2.435 178.978 176.870 -0.544 0.000 1.085 277 L CA 0.845 55.298 54.840 -0.646 0.000 0.755 277 L CB -0.277 41.027 42.059 -1.259 0.000 0.904 277 L HN 0.193 nan 8.230 nan 0.000 0.435 278 R N -0.112 120.238 120.500 -0.250 0.000 2.092 278 R HA -0.103 4.237 4.340 0.001 0.000 0.231 278 R C 2.336 178.641 176.300 0.009 0.000 1.119 278 R CA 1.328 57.467 56.100 0.065 0.000 0.970 278 R CB -0.341 30.053 30.300 0.157 0.000 0.864 278 R HN 0.338 nan 8.270 nan 0.000 0.440 279 A N 0.705 123.500 122.820 -0.041 0.000 2.016 279 A HA -0.025 4.295 4.320 0.001 0.000 0.217 279 A C 1.901 179.460 177.584 -0.042 0.000 1.162 279 A CA 0.700 52.720 52.037 -0.029 0.000 0.662 279 A CB 0.033 19.015 19.000 -0.030 0.000 0.812 279 A HN 0.093 nan 8.150 nan 0.000 0.450 280 R N -0.866 119.584 120.500 -0.083 0.000 2.237 280 R HA 0.177 4.518 4.340 0.001 0.000 0.195 280 R C -0.504 175.753 176.300 -0.070 0.000 0.956 280 R CA 0.429 56.481 56.100 -0.080 0.000 1.029 280 R CB 0.260 30.495 30.300 -0.108 0.000 0.972 280 R HN 0.307 nan 8.270 nan 0.000 0.493 281 V N 2.476 122.342 119.914 -0.079 0.000 2.407 281 V HA 0.191 4.311 4.120 0.001 0.000 0.291 281 V C -0.452 175.678 176.094 0.061 0.000 1.018 281 V CA -1.118 61.170 62.300 -0.021 0.000 0.842 281 V CB 1.573 33.367 31.823 -0.049 0.000 0.996 281 V HN 0.079 nan 8.190 nan 0.000 0.426 282 N N 3.095 121.824 118.700 0.048 0.000 2.458 282 N HA 0.395 5.135 4.740 0.001 0.000 0.258 282 N C 1.273 176.826 175.510 0.072 0.000 1.219 282 N CA 1.552 54.634 53.050 0.053 0.000 0.902 282 N CB 0.827 39.333 38.487 0.031 0.000 1.076 282 N HN 1.095 nan 8.380 nan 0.000 0.455 283 G N 1.860 110.699 108.800 0.066 0.000 2.175 283 G HA2 -0.329 3.631 3.960 0.001 0.000 0.265 283 G HA3 -0.329 3.631 3.960 0.001 0.000 0.265 283 G C 0.182 175.120 174.900 0.063 0.000 0.979 283 G CA 0.052 45.178 45.100 0.043 0.000 0.663 283 G HN 0.631 nan 8.290 nan 0.000 0.533 284 F N 0.887 120.825 119.950 -0.020 0.000 2.602 284 F HA 0.497 5.024 4.527 -0.000 0.000 0.385 284 F C 0.643 176.439 175.800 -0.007 0.000 1.063 284 F CA 0.220 58.210 58.000 -0.016 0.000 1.233 284 F CB 0.361 39.350 39.000 -0.018 0.000 1.067 284 F HN 0.165 nan 8.300 nan 0.000 0.564 285 M N 7.444 126.528 119.600 -0.860 0.000 2.197 285 M HA 0.608 5.088 4.480 0.001 0.000 0.301 285 M C -1.577 174.171 176.300 -0.921 0.000 0.987 285 M CA -0.559 54.323 55.300 -0.696 0.000 0.921 285 M CB 1.379 33.793 32.600 -0.310 0.000 1.569 285 M HN 0.715 nan 8.290 nan 0.000 0.431 286 A N 6.452 128.831 122.820 -0.736 0.000 2.276 286 A HA 0.696 5.016 4.320 0.001 0.000 0.316 286 A C -0.821 176.712 177.584 -0.085 0.000 1.229 286 A CA -0.619 51.205 52.037 -0.354 0.000 0.851 286 A CB 0.291 19.245 19.000 -0.075 0.000 1.165 286 A HN 0.914 nan 8.150 nan 0.000 0.513 287 I N 2.645 123.248 120.570 0.055 0.000 2.337 287 I HA 0.237 4.407 4.170 0.001 0.000 0.285 287 I C 0.211 176.476 176.117 0.246 0.000 1.041 287 I CA -0.029 61.379 61.300 0.180 0.000 1.199 287 I CB 1.088 39.259 38.000 0.285 0.000 1.370 287 I HN 0.776 nan 8.210 nan 0.000 0.470 288 E N 5.872 126.156 120.200 0.139 0.000 2.175 288 E HA 0.422 4.773 4.350 0.001 0.000 0.278 288 E C -1.236 175.384 176.600 0.032 0.000 0.969 288 E CA -0.670 55.762 56.400 0.054 0.000 0.796 288 E CB 1.835 31.544 29.700 0.014 0.000 1.104 288 E HN 0.309 nan 8.360 nan 0.000 0.395 289 V N 7.693 127.552 119.914 -0.092 0.000 2.348 289 V HA 0.287 4.407 4.120 0.001 0.000 0.270 289 V C -1.992 173.829 176.094 -0.455 0.000 1.037 289 V CA -1.646 60.511 62.300 -0.238 0.000 0.872 289 V CB 0.931 32.597 31.823 -0.261 0.000 1.002 289 V HN 0.692 nan 8.190 nan 0.000 0.464 290 P HA 0.147 nan 4.420 nan 0.000 0.275 290 P C 0.556 177.690 177.300 -0.278 0.000 1.227 290 P CA -0.176 62.771 63.100 -0.255 0.000 0.781 290 P CB 1.491 33.126 31.700 -0.108 0.000 0.906 291 A N 3.224 125.936 122.820 -0.181 0.000 2.076 291 A HA -0.168 4.152 4.320 0.001 0.000 0.220 291 A C 1.978 179.568 177.584 0.010 0.000 1.160 291 A CA 2.319 54.365 52.037 0.015 0.000 0.653 291 A CB -1.796 17.270 19.000 0.110 0.000 0.801 291 A HN 0.674 nan 8.150 nan 0.000 0.455 292 T N -3.015 111.527 114.554 -0.020 0.000 2.951 292 T HA -0.115 4.235 4.350 0.001 0.000 0.268 292 T C 1.759 176.461 174.700 0.003 0.000 1.073 292 T CA 1.454 63.554 62.100 0.001 0.000 1.134 292 T CB -0.211 68.658 68.868 0.002 0.000 0.884 292 T HN 0.619 nan 8.240 nan 0.000 0.479 293 Q N 0.109 119.886 119.800 -0.037 0.000 2.259 293 Q HA 0.263 4.604 4.340 0.001 0.000 0.201 293 Q C -0.141 175.827 176.000 -0.053 0.000 0.938 293 Q CA 0.465 56.250 55.803 -0.031 0.000 0.872 293 Q CB 0.747 29.447 28.738 -0.064 0.000 0.971 293 Q HN 0.372 nan 8.270 nan 0.000 0.494 294 V N 1.698 121.557 119.914 -0.092 0.000 2.532 294 V HA 0.148 4.269 4.120 0.001 0.000 0.294 294 V C -0.246 175.920 176.094 0.120 0.000 1.036 294 V CA -0.771 61.513 62.300 -0.027 0.000 0.876 294 V CB 1.598 33.338 31.823 -0.138 0.000 1.012 294 V HN 0.243 nan 8.190 nan 0.000 0.432 295 S N 3.796 119.549 115.700 0.089 0.000 2.600 295 S HA 0.329 4.800 4.470 0.001 0.000 0.265 295 S C 1.202 175.806 174.600 0.006 0.000 1.325 295 S CA -0.212 58.037 58.200 0.082 0.000 1.002 295 S CB 1.589 64.818 63.200 0.048 0.000 0.921 295 S HN 0.403 nan 8.310 nan 0.000 0.554 296 V N 1.978 121.828 119.914 -0.107 0.000 2.427 296 V HA -0.135 3.985 4.120 0.001 0.000 0.248 296 V C 2.792 178.821 176.094 -0.109 0.000 1.051 296 V CA 2.235 64.387 62.300 -0.247 0.000 1.048 296 V CB -1.389 30.276 31.823 -0.262 0.000 0.666 296 V HN 0.962 nan 8.190 nan 0.000 0.456 297 S N 0.150 115.823 115.700 -0.045 0.000 2.359 297 S HA -0.234 4.236 4.470 0.001 0.000 0.224 297 S C 1.732 176.333 174.600 0.003 0.000 1.035 297 S CA 1.800 59.999 58.200 -0.003 0.000 1.018 297 S CB -0.410 62.804 63.200 0.022 0.000 0.876 297 S HN 0.620 nan 8.310 nan 0.000 0.448 298 D N 0.614 121.005 120.400 -0.015 0.000 2.224 298 D HA -0.005 4.635 4.640 0.001 0.000 0.205 298 D C 1.989 178.226 176.300 -0.105 0.000 0.965 298 D CA 0.847 54.789 54.000 -0.097 0.000 0.852 298 D CB -0.580 40.111 40.800 -0.181 0.000 0.947 298 D HN 0.295 nan 8.370 nan 0.000 0.494 299 T N 0.205 114.729 114.554 -0.051 0.000 2.737 299 T HA -0.080 4.271 4.350 0.001 0.000 0.265 299 T C 2.196 176.914 174.700 0.031 0.000 1.038 299 T CA 0.696 62.793 62.100 -0.005 0.000 1.144 299 T CB -0.149 68.729 68.868 0.017 0.000 0.866 299 T HN -0.019 nan 8.240 nan 0.000 0.434 300 V N 2.135 122.066 119.914 0.028 0.000 2.427 300 V HA -0.142 3.978 4.120 0.001 0.000 0.248 300 V C 2.767 179.007 176.094 0.242 0.000 1.051 300 V CA 1.957 64.328 62.300 0.117 0.000 1.048 300 V CB -0.797 31.072 31.823 0.077 0.000 0.666 300 V HN 0.646 nan 8.190 nan 0.000 0.456 301 S N 0.531 116.309 115.700 0.130 0.000 2.436 301 S HA -0.152 4.319 4.470 0.001 0.000 0.228 301 S C 1.940 176.602 174.600 0.104 0.000 1.014 301 S CA 1.462 59.727 58.200 0.107 0.000 0.950 301 S CB -0.471 62.777 63.200 0.080 0.000 0.784 301 S HN 0.727 nan 8.310 nan 0.000 0.504 302 T N -4.334 110.283 114.554 0.106 0.000 3.040 302 T HA 0.164 4.514 4.350 0.001 0.000 0.252 302 T C 0.394 175.238 174.700 0.239 0.000 1.064 302 T CA 0.187 62.349 62.100 0.103 0.000 1.110 302 T CB -0.683 68.183 68.868 -0.003 0.000 0.921 302 T HN 0.256 nan 8.240 nan 0.000 0.480 303 Y N 1.164 121.460 120.300 -0.008 0.000 4.032 303 Y HA -0.211 4.339 4.550 0.001 0.000 0.230 303 Y C 1.316 177.221 175.900 0.009 0.000 1.202 303 Y CA -0.092 58.015 58.100 0.012 0.000 1.878 303 Y CB -2.505 35.972 38.460 0.030 0.000 1.586 303 Y HN 0.537 nan 8.280 nan 0.000 0.673 304 L N -4.081 117.153 121.223 0.018 0.000 2.187 304 L HA -0.122 4.219 4.340 0.001 0.000 0.213 304 L C 1.891 178.665 176.870 -0.160 0.000 1.100 304 L CA 1.705 56.495 54.840 -0.084 0.000 0.765 304 L CB -0.706 41.221 42.059 -0.220 0.000 0.904 304 L HN 0.134 nan 8.230 nan 0.000 0.437 305 F N 0.087 120.037 119.950 -0.001 0.000 2.789 305 F HA 0.096 4.623 4.527 0.000 0.000 0.300 305 F C 1.861 177.629 175.800 -0.052 0.000 1.132 305 F CA 0.187 58.149 58.000 -0.063 0.000 1.404 305 F CB -0.137 38.720 39.000 -0.238 0.000 1.114 305 F HN 0.217 nan 8.300 nan 0.000 0.584 306 N N 0.990 119.722 118.700 0.052 0.000 2.466 306 N HA 0.002 4.742 4.740 0.001 0.000 0.251 306 N C -0.156 175.436 175.510 0.137 0.000 1.164 306 N CA -0.123 52.945 53.050 0.029 0.000 0.888 306 N CB 0.185 38.630 38.487 -0.070 0.000 1.177 306 N HN 0.144 nan 8.380 nan 0.000 0.498 307 S N -0.559 115.237 115.700 0.161 0.000 2.693 307 S HA 0.315 4.785 4.470 0.001 0.000 0.276 307 S C -0.088 174.594 174.600 0.137 0.000 1.192 307 S CA -0.698 57.598 58.200 0.160 0.000 0.994 307 S CB 1.833 65.135 63.200 0.170 0.000 1.012 307 S HN 0.203 nan 8.310 nan 0.000 0.550 308 Q N 0.289 120.148 119.800 0.099 0.000 2.290 308 Q HA 0.466 4.806 4.340 0.001 0.000 0.259 308 Q C -1.417 174.605 176.000 0.037 0.000 0.941 308 Q CA -0.677 55.161 55.803 0.059 0.000 0.912 308 Q CB 1.506 30.248 28.738 0.006 0.000 1.244 308 Q HN 0.545 nan 8.270 nan 0.000 0.441 309 L N 5.268 126.526 121.223 0.058 0.000 2.272 309 L HA 0.374 4.714 4.340 0.001 0.000 0.284 309 L C -1.393 175.500 176.870 0.038 0.000 1.045 309 L CA 0.044 54.910 54.840 0.042 0.000 0.842 309 L CB 0.292 42.404 42.059 0.088 0.000 1.224 309 L HN 0.517 nan 8.230 nan 0.000 0.430 310 L N 2.813 124.019 121.223 -0.028 0.000 2.343 310 L HA 0.552 4.892 4.340 0.001 0.000 0.275 310 L C 0.423 177.369 176.870 0.127 0.000 1.056 310 L CA -0.607 54.227 54.840 -0.010 0.000 0.804 310 L CB 1.517 43.333 42.059 -0.405 0.000 1.203 310 L HN 0.438 nan 8.230 nan 0.000 0.440 311 S N 1.337 117.203 115.700 0.277 0.000 2.457 311 S HA 0.460 4.931 4.470 0.001 0.000 0.289 311 S C -0.034 174.736 174.600 0.283 0.000 1.163 311 S CA -0.743 57.592 58.200 0.226 0.000 1.078 311 S CB 1.004 64.309 63.200 0.174 0.000 0.987 311 S HN 0.464 nan 8.310 nan 0.000 0.482 312 R N 1.439 122.043 120.500 0.174 0.000 2.652 312 R HA 0.195 4.535 4.340 0.001 0.000 0.271 312 R C 0.350 176.661 176.300 0.019 0.000 1.129 312 R CA -0.544 55.620 56.100 0.108 0.000 1.200 312 R CB 0.223 30.568 30.300 0.075 0.000 1.146 312 R HN 0.504 nan 8.270 nan 0.000 0.581 313 D N 0.485 120.859 120.400 -0.044 0.000 2.178 313 D HA -0.154 4.487 4.640 0.001 0.000 0.201 313 D C 0.786 177.080 176.300 -0.009 0.000 0.980 313 D CA 1.439 55.410 54.000 -0.048 0.000 0.842 313 D CB -0.100 40.652 40.800 -0.081 0.000 0.948 313 D HN 0.592 nan 8.370 nan 0.000 0.472 314 D N -1.498 118.898 120.400 -0.008 0.000 2.340 314 D HA 0.157 4.798 4.640 0.001 0.000 0.220 314 D C 1.563 177.860 176.300 -0.005 0.000 1.039 314 D CA 0.571 54.569 54.000 -0.003 0.000 0.866 314 D CB 0.064 40.859 40.800 -0.009 0.000 0.913 314 D HN 0.190 nan 8.370 nan 0.000 0.523 315 G N -0.533 108.263 108.800 -0.006 0.000 2.213 315 G HA2 -0.299 3.661 3.960 0.001 0.000 0.236 315 G HA3 -0.299 3.661 3.960 0.001 0.000 0.236 315 G C 0.491 175.372 174.900 -0.031 0.000 0.991 315 G CA 0.228 45.309 45.100 -0.031 0.000 0.629 315 G HN 0.628 nan 8.290 nan 0.000 0.517 316 S N -0.013 115.678 115.700 -0.016 0.000 2.608 316 S HA 0.744 5.214 4.470 0.001 0.000 0.261 316 S C 0.600 175.201 174.600 0.001 0.000 1.314 316 S CA 0.287 58.476 58.200 -0.019 0.000 0.992 316 S CB 0.391 63.582 63.200 -0.016 0.000 0.935 316 S HN 0.388 nan 8.310 nan 0.000 0.564 317 M N 2.491 122.081 119.600 -0.017 0.000 2.662 317 M HA 0.479 4.959 4.480 0.001 0.000 0.310 317 M C -0.576 175.711 176.300 -0.021 0.000 1.204 317 M CA -0.464 54.833 55.300 -0.006 0.000 0.891 317 M CB 2.176 34.755 32.600 -0.034 0.000 1.732 317 M HN 0.708 nan 8.290 nan 0.000 0.467 318 M N 2.439 122.029 119.600 -0.016 0.000 2.393 318 M HA 0.556 5.037 4.480 0.001 0.000 0.316 318 M C -2.110 174.152 176.300 -0.064 0.000 1.087 318 M CA -0.696 54.581 55.300 -0.038 0.000 0.937 318 M CB 1.758 34.351 32.600 -0.013 0.000 1.668 318 M HN 0.663 nan 8.290 nan 0.000 0.438 319 L N 5.135 126.320 121.223 -0.063 0.000 2.265 319 L HA 0.483 4.824 4.340 0.001 0.000 0.289 319 L C -1.046 175.836 176.870 0.021 0.000 1.033 319 L CA -0.845 53.971 54.840 -0.040 0.000 0.814 319 L CB 1.764 43.772 42.059 -0.086 0.000 1.203 319 L HN 0.502 nan 8.230 nan 0.000 0.423 320 V N 6.125 126.072 119.914 0.054 0.000 2.348 320 V HA 0.354 4.474 4.120 0.001 0.000 0.270 320 V C 0.145 176.345 176.094 0.176 0.000 1.037 320 V CA -0.278 62.108 62.300 0.143 0.000 0.872 320 V CB 1.146 33.053 31.823 0.141 0.000 1.002 320 V HN 0.516 nan 8.190 nan 0.000 0.464 321 L N 7.595 128.935 121.223 0.194 0.000 2.303 321 L HA 0.697 5.037 4.340 0.001 0.000 0.266 321 L C -2.338 174.654 176.870 0.203 0.000 1.011 321 L CA -1.960 52.996 54.840 0.193 0.000 0.818 321 L CB 2.337 44.511 42.059 0.193 0.000 1.326 321 L HN 0.358 nan 8.230 nan 0.000 0.435 322 P HA 0.107 nan 4.420 nan 0.000 0.278 322 P C -0.397 176.959 177.300 0.093 0.000 1.258 322 P CA -0.482 62.709 63.100 0.152 0.000 0.811 322 P CB 1.106 32.888 31.700 0.137 0.000 1.063 323 Q N 0.735 120.566 119.800 0.052 0.000 2.181 323 Q HA -0.198 4.142 4.340 0.001 0.000 0.205 323 Q C 1.585 177.574 176.000 -0.019 0.000 0.980 323 Q CA 1.923 57.716 55.803 -0.016 0.000 0.862 323 Q CB -0.356 28.370 28.738 -0.021 0.000 0.905 323 Q HN 0.495 nan 8.270 nan 0.000 0.429 324 E N -0.642 119.573 120.200 0.024 0.000 2.171 324 E HA -0.169 4.182 4.350 0.001 0.000 0.197 324 E C 2.011 178.662 176.600 0.084 0.000 0.997 324 E CA 1.121 57.548 56.400 0.045 0.000 0.810 324 E CB -0.388 29.341 29.700 0.047 0.000 0.738 324 E HN 0.322 nan 8.360 nan 0.000 0.467 325 C N 0.056 119.419 119.300 0.104 0.000 2.432 325 C HA -0.002 4.459 4.460 0.001 0.000 0.280 325 C C 2.471 177.591 174.990 0.217 0.000 1.353 325 C CA 0.715 59.848 59.018 0.192 0.000 1.766 325 C CB -0.644 27.243 27.740 0.244 0.000 1.924 325 C HN 0.302 nan 8.230 nan 0.000 0.509 326 R N 1.524 121.971 120.500 -0.088 0.000 2.210 326 R HA 0.026 4.366 4.340 0.001 0.000 0.203 326 R C 1.613 177.705 176.300 -0.346 0.000 1.010 326 R CA 1.227 56.967 56.100 -0.601 0.000 1.008 326 R CB -0.484 29.298 30.300 -0.863 0.000 0.923 326 R HN 0.556 nan 8.270 nan 0.000 0.469 327 E N -0.797 119.337 120.200 -0.110 0.000 2.478 327 E HA -0.034 4.316 4.350 0.001 0.000 0.194 327 E C -0.287 176.344 176.600 0.052 0.000 1.045 327 E CA 0.102 56.474 56.400 -0.047 0.000 0.868 327 E CB 0.111 29.797 29.700 -0.022 0.000 0.885 327 E HN 0.270 nan 8.360 nan 0.000 0.505 328 H N 0.281 119.375 119.070 0.041 0.000 2.623 328 H HA 0.350 4.907 4.556 0.001 0.000 0.299 328 H C 0.709 176.125 175.328 0.146 0.000 1.052 328 H CA -0.160 55.940 56.048 0.086 0.000 1.231 328 H CB 1.135 30.956 29.762 0.098 0.000 1.389 328 H HN 0.050 nan 8.280 nan 0.000 0.469 329 A N 4.429 127.245 122.820 -0.006 0.000 1.903 329 A HA -0.222 4.098 4.320 0.001 0.000 0.219 329 A C 2.408 180.123 177.584 0.219 0.000 1.191 329 A CA 1.997 54.096 52.037 0.102 0.000 0.638 329 A CB -1.123 17.874 19.000 -0.004 0.000 0.823 329 A HN 0.807 nan 8.150 nan 0.000 0.451 330 G N -1.022 107.910 108.800 0.220 0.000 2.421 330 G HA2 -0.106 3.855 3.960 0.001 0.000 0.216 330 G HA3 -0.106 3.855 3.960 0.001 0.000 0.216 330 G C 1.537 176.670 174.900 0.387 0.000 1.171 330 G CA 1.293 46.593 45.100 0.334 0.000 0.775 330 G HN 0.360 nan 8.290 nan 0.000 0.543 331 V N -0.177 120.055 119.914 0.531 0.000 2.307 331 V HA -0.104 4.017 4.120 0.001 0.000 0.245 331 V C 2.249 178.545 176.094 0.337 0.000 1.045 331 V CA 1.540 64.014 62.300 0.290 0.000 1.024 331 V CB -0.549 31.325 31.823 0.085 0.000 0.651 331 V HN 0.642 nan 8.190 nan 0.000 0.449 332 W N 1.032 122.434 121.300 0.169 0.000 2.374 332 W HA -0.137 4.523 4.660 0.000 0.000 0.288 332 W C 2.077 178.637 176.519 0.068 0.000 1.218 332 W CA 1.355 58.756 57.345 0.093 0.000 1.245 332 W CB -0.238 29.265 29.460 0.072 0.000 1.126 332 W HN 0.368 nan 8.180 nan 0.000 0.545 333 G N -0.440 108.429 108.800 0.114 0.000 2.404 333 G HA2 -0.389 3.571 3.960 0.001 0.000 0.215 333 G HA3 -0.389 3.571 3.960 0.001 0.000 0.215 333 G C 1.213 176.064 174.900 -0.081 0.000 1.174 333 G CA 1.117 46.206 45.100 -0.018 0.000 0.780 333 G HN 0.422 nan 8.290 nan 0.000 0.537 334 Y N 1.174 121.447 120.300 -0.045 0.000 2.181 334 Y HA 0.012 4.562 4.550 0.001 0.000 0.288 334 Y C 2.502 178.333 175.900 -0.115 0.000 1.146 334 Y CA 1.238 59.308 58.100 -0.050 0.000 1.164 334 Y CB -0.250 38.212 38.460 0.003 0.000 0.982 334 Y HN 0.099 nan 8.280 nan 0.000 0.515 335 L N 0.339 121.392 121.223 -0.283 0.000 2.083 335 L HA -0.253 4.087 4.340 0.001 0.000 0.209 335 L C 2.149 178.680 176.870 -0.565 0.000 1.083 335 L CA 1.370 55.963 54.840 -0.411 0.000 0.752 335 L CB -0.563 41.337 42.059 -0.265 0.000 0.899 335 L HN 0.333 nan 8.230 nan 0.000 0.433 336 N N -0.373 117.958 118.700 -0.615 0.000 2.354 336 N HA -0.178 4.562 4.740 0.001 0.000 0.179 336 N C 1.718 176.993 175.510 -0.391 0.000 1.021 336 N CA 0.791 53.514 53.050 -0.545 0.000 0.887 336 N CB 0.178 38.313 38.487 -0.586 0.000 0.974 336 N HN 0.452 nan 8.380 nan 0.000 0.437 337 E N 0.719 120.679 120.200 -0.399 0.000 2.072 337 E HA -0.133 4.218 4.350 0.001 0.000 0.191 337 E C 1.968 178.352 176.600 -0.360 0.000 0.985 337 E CA 0.494 56.701 56.400 -0.321 0.000 0.801 337 E CB 0.079 29.607 29.700 -0.287 0.000 0.750 337 E HN 0.067 nan 8.360 nan 0.000 0.452 338 L N 0.919 121.822 121.223 -0.533 0.000 2.056 338 L HA -0.122 4.219 4.340 0.001 0.000 0.207 338 L C 2.289 178.968 176.870 -0.319 0.000 1.078 338 L CA 1.291 55.864 54.840 -0.445 0.000 0.749 338 L CB -0.639 41.083 42.059 -0.562 0.000 0.901 338 L HN 0.288 nan 8.230 nan 0.000 0.433 339 L N -0.073 120.952 121.223 -0.330 0.000 2.012 339 L HA -0.148 4.193 4.340 0.001 0.000 0.210 339 L C 2.448 179.201 176.870 -0.195 0.000 1.073 339 L CA 2.294 56.981 54.840 -0.255 0.000 0.748 339 L CB -1.096 40.801 42.059 -0.270 0.000 0.891 339 L HN 0.259 nan 8.230 nan 0.000 0.431 340 A N -0.147 122.557 122.820 -0.195 0.000 1.930 340 A HA 0.259 4.580 4.320 0.001 0.000 0.217 340 A C 1.570 179.080 177.584 -0.124 0.000 1.175 340 A CA 0.756 52.707 52.037 -0.144 0.000 0.627 340 A CB -1.250 17.668 19.000 -0.136 0.000 0.815 340 A HN 0.581 nan 8.150 nan 0.000 0.443 341 A N 0.339 123.074 122.820 -0.141 0.000 2.492 341 A HA 0.311 4.631 4.320 0.001 0.000 0.236 341 A C -0.045 177.480 177.584 -0.098 0.000 1.078 341 A CA 0.282 52.252 52.037 -0.111 0.000 0.773 341 A CB -0.196 18.733 19.000 -0.118 0.000 1.023 341 A HN 0.410 nan 8.150 nan 0.000 0.504 342 D N 0.669 121.024 120.400 -0.075 0.000 2.359 342 D HA 0.410 5.050 4.640 0.001 0.000 0.250 342 D C -0.132 176.125 176.300 -0.071 0.000 1.264 342 D CA 0.420 54.380 54.000 -0.067 0.000 0.911 342 D CB -0.218 40.551 40.800 -0.051 0.000 1.056 342 D HN 0.709 nan 8.370 nan 0.000 0.499 343 N N 1.290 119.941 118.700 -0.081 0.000 3.356 343 N HA 0.317 5.057 4.740 0.001 0.000 0.246 343 N C -2.571 172.884 175.510 -0.092 0.000 1.480 343 N CA -1.069 51.929 53.050 -0.087 0.000 0.877 343 N CB 0.325 38.753 38.487 -0.098 0.000 1.431 343 N HN -0.090 nan 8.380 nan 0.000 0.500 344 P HA 0.170 nan 4.420 nan 0.000 0.223 344 P C -0.298 176.943 177.300 -0.098 0.000 1.151 344 P CA 0.793 63.840 63.100 -0.088 0.000 0.787 344 P CB 0.164 31.813 31.700 -0.085 0.000 0.788 345 I N 0.032 120.521 120.570 -0.135 0.000 2.389 345 I HA -0.002 4.169 4.170 0.001 0.000 0.295 345 I C 0.724 176.760 176.117 -0.135 0.000 1.117 345 I CA 0.495 61.700 61.300 -0.158 0.000 1.317 345 I CB 0.193 38.044 38.000 -0.247 0.000 1.431 345 I HN -0.112 nan 8.210 nan 0.000 0.521 346 S N 4.449 120.090 115.700 -0.098 0.000 2.559 346 S HA 0.162 4.632 4.470 0.001 0.000 0.226 346 S C 0.259 174.817 174.600 -0.070 0.000 1.000 346 S CA -0.250 57.902 58.200 -0.081 0.000 0.948 346 S CB 0.212 63.379 63.200 -0.055 0.000 0.870 346 S HN 0.728 nan 8.310 nan 0.000 0.497 347 E N 0.823 120.981 120.200 -0.071 0.000 2.352 347 E HA 0.475 4.825 4.350 0.001 0.000 0.280 347 E C -1.904 174.662 176.600 -0.057 0.000 0.930 347 E CA -0.563 55.807 56.400 -0.050 0.000 0.765 347 E CB 1.175 30.869 29.700 -0.010 0.000 1.219 347 E HN 0.086 nan 8.360 nan 0.000 0.434 348 L N 3.216 124.415 121.223 -0.040 0.000 2.346 348 L HA 0.616 4.956 4.340 0.001 0.000 0.276 348 L C -0.452 176.440 176.870 0.036 0.000 1.006 348 L CA -0.841 53.995 54.840 -0.006 0.000 0.817 348 L CB 1.884 43.933 42.059 -0.018 0.000 1.272 348 L HN 0.410 nan 8.230 nan 0.000 0.421 349 K N 2.210 122.629 120.400 0.032 0.000 2.482 349 K HA 0.670 4.991 4.320 0.001 0.000 0.251 349 K C -1.708 174.836 176.600 -0.093 0.000 0.936 349 K CA -0.536 55.715 56.287 -0.060 0.000 0.791 349 K CB 2.394 34.862 32.500 -0.054 0.000 1.213 349 K HN 0.355 nan 8.250 nan 0.000 0.428 350 V N 4.947 124.713 119.914 -0.247 0.000 2.513 350 V HA 0.571 4.692 4.120 0.001 0.000 0.299 350 V C -0.910 174.898 176.094 -0.477 0.000 1.035 350 V CA -0.631 61.544 62.300 -0.208 0.000 0.889 350 V CB 1.112 32.846 31.823 -0.148 0.000 0.988 350 V HN 0.622 nan 8.190 nan 0.000 0.440 351 F N 1.402 121.364 119.950 0.021 0.000 2.563 351 F HA 0.450 4.977 4.527 0.000 0.000 0.316 351 F C -0.015 175.795 175.800 0.016 0.000 1.076 351 F CA -0.814 57.197 58.000 0.018 0.000 0.921 351 F CB 1.809 40.826 39.000 0.027 0.000 1.209 351 F HN 0.439 nan 8.300 nan 0.000 0.462 352 D N 3.223 123.744 120.400 0.202 0.000 2.365 352 D HA 0.301 4.941 4.640 0.001 0.000 0.237 352 D C -0.401 175.977 176.300 0.129 0.000 1.190 352 D CA 0.219 54.290 54.000 0.118 0.000 0.867 352 D CB 0.441 41.286 40.800 0.074 0.000 1.050 352 D HN 0.502 nan 8.370 nan 0.000 0.491 353 L N 4.228 125.519 121.223 0.112 0.000 3.168 353 L HA 0.311 4.651 4.340 0.001 0.000 0.277 353 L C 1.744 178.659 176.870 0.075 0.000 1.308 353 L CA -0.535 54.364 54.840 0.099 0.000 0.976 353 L CB 0.307 42.438 42.059 0.119 0.000 1.383 353 L HN 0.209 nan 8.230 nan 0.000 0.572 354 R N 0.979 121.514 120.500 0.060 0.000 2.113 354 R HA -0.195 4.146 4.340 0.001 0.000 0.244 354 R C 2.048 178.389 176.300 0.067 0.000 1.142 354 R CA 1.851 57.974 56.100 0.039 0.000 0.953 354 R CB 0.060 30.383 30.300 0.039 0.000 0.860 354 R HN 0.301 nan 8.270 nan 0.000 0.438 355 E N -0.482 119.789 120.200 0.119 0.000 2.051 355 E HA -0.178 4.172 4.350 0.001 0.000 0.192 355 E C 1.998 178.777 176.600 0.298 0.000 0.991 355 E CA 1.573 58.118 56.400 0.242 0.000 0.799 355 E CB -0.578 29.177 29.700 0.092 0.000 0.748 355 E HN 0.314 nan 8.360 nan 0.000 0.449 356 S N 0.087 115.904 115.700 0.194 0.000 2.368 356 S HA -0.114 4.356 4.470 0.001 0.000 0.225 356 S C 1.933 176.697 174.600 0.273 0.000 1.030 356 S CA 0.912 59.324 58.200 0.354 0.000 0.999 356 S CB -0.016 63.388 63.200 0.341 0.000 0.844 356 S HN 0.089 nan 8.310 nan 0.000 0.459 357 M N 1.297 120.947 119.600 0.084 0.000 2.213 357 M HA -0.001 4.479 4.480 0.001 0.000 0.263 357 M C 2.371 178.555 176.300 -0.193 0.000 1.062 357 M CA 1.373 56.604 55.300 -0.115 0.000 1.105 357 M CB -1.706 30.812 32.600 -0.137 0.000 1.385 357 M HN 0.510 nan 8.290 nan 0.000 0.417 358 A N -0.215 122.490 122.820 -0.193 0.000 2.121 358 A HA -0.113 4.207 4.320 0.001 0.000 0.218 358 A C 1.720 179.188 177.584 -0.194 0.000 1.154 358 A CA 1.343 52.996 52.037 -0.641 0.000 0.679 358 A CB -0.511 17.946 19.000 -0.904 0.000 0.795 358 A HN 0.461 nan 8.150 nan 0.000 0.458 359 N N -1.027 117.764 118.700 0.152 0.000 2.238 359 N HA 0.227 4.968 4.740 0.001 0.000 0.222 359 N C 0.768 176.188 175.510 -0.149 0.000 1.133 359 N CA 0.839 53.983 53.050 0.157 0.000 0.854 359 N CB 0.566 39.306 38.487 0.421 0.000 1.041 359 N HN 0.519 nan 8.380 nan 0.000 0.510 360 G N -0.552 108.150 108.800 -0.163 0.000 2.149 360 G HA2 -0.151 3.810 3.960 0.001 0.000 0.235 360 G HA3 -0.151 3.810 3.960 0.001 0.000 0.235 360 G C 0.205 175.018 174.900 -0.146 0.000 1.018 360 G CA -0.060 44.958 45.100 -0.138 0.000 0.728 360 G HN 0.540 nan 8.290 nan 0.000 0.508 361 G N -0.694 107.951 108.800 -0.259 0.000 2.609 361 G HA2 0.814 4.774 3.960 0.001 0.000 0.308 361 G HA3 0.814 4.774 3.960 0.001 0.000 0.308 361 G C 0.328 175.314 174.900 0.143 0.000 1.369 361 G CA 0.404 45.418 45.100 -0.144 0.000 0.958 361 G HN 1.046 nan 8.290 nan 0.000 0.499 362 G N 1.612 110.602 108.800 0.318 0.000 2.828 362 G HA2 0.636 4.596 3.960 0.001 0.000 0.244 362 G HA3 0.636 4.596 3.960 0.001 0.000 0.244 362 G C -1.364 173.691 174.900 0.258 0.000 1.365 362 G CA -1.223 44.062 45.100 0.310 0.000 1.041 362 G HN 0.329 nan 8.290 nan 0.000 0.560 363 P HA -0.138 nan 4.420 nan 0.000 0.215 363 P C 2.058 179.441 177.300 0.138 0.000 1.157 363 P CA 2.565 65.752 63.100 0.146 0.000 0.874 363 P CB 0.106 31.891 31.700 0.143 0.000 0.790 364 A N -1.251 121.658 122.820 0.148 0.000 1.898 364 A HA -0.193 4.127 4.320 0.001 0.000 0.216 364 A C 2.369 180.043 177.584 0.151 0.000 1.181 364 A CA 1.639 53.751 52.037 0.125 0.000 0.620 364 A CB -1.728 17.333 19.000 0.102 0.000 0.819 364 A HN 0.220 nan 8.150 nan 0.000 0.442 365 C N -0.659 118.760 119.300 0.198 0.000 2.411 365 C HA -0.052 4.408 4.460 0.001 0.000 0.279 365 C C 2.309 177.528 174.990 0.380 0.000 1.288 365 C CA 0.901 60.077 59.018 0.264 0.000 1.764 365 C CB -1.479 26.408 27.740 0.244 0.000 1.974 365 C HN 0.590 nan 8.230 nan 0.000 0.498 366 L N 0.501 121.925 121.223 0.336 0.000 2.599 366 L HA 0.053 4.394 4.340 0.001 0.000 0.230 366 L C 0.862 177.820 176.870 0.147 0.000 1.141 366 L CA 0.407 55.393 54.840 0.243 0.000 0.877 366 L CB -0.380 41.786 42.059 0.178 0.000 1.009 366 L HN 0.492 nan 8.230 nan 0.000 0.447 367 R N -0.203 120.383 120.500 0.144 0.000 2.771 367 R HA 0.668 5.008 4.340 0.001 0.000 0.274 367 R C -1.419 174.960 176.300 0.131 0.000 0.987 367 R CA -0.753 55.422 56.100 0.125 0.000 0.908 367 R CB 1.409 31.763 30.300 0.090 0.000 1.213 367 R HN -0.144 nan 8.270 nan 0.000 0.468 368 L N 1.546 122.866 121.223 0.161 0.000 2.343 368 L HA 0.555 4.895 4.340 0.001 0.000 0.278 368 L C -0.836 176.139 176.870 0.175 0.000 0.996 368 L CA -0.557 54.361 54.840 0.131 0.000 0.831 368 L CB 1.606 43.721 42.059 0.094 0.000 1.232 368 L HN 0.680 nan 8.230 nan 0.000 0.413 369 R N 4.011 124.583 120.500 0.119 0.000 2.298 369 R HA 0.593 4.933 4.340 0.001 0.000 0.310 369 R C -1.139 175.221 176.300 0.100 0.000 1.068 369 R CA -0.402 55.770 56.100 0.120 0.000 0.957 369 R CB 1.063 31.410 30.300 0.077 0.000 1.003 369 R HN 0.468 nan 8.270 nan 0.000 0.454 370 V N 4.492 124.505 119.914 0.164 0.000 2.419 370 V HA 0.147 4.268 4.120 0.001 0.000 0.287 370 V C -0.114 176.076 176.094 0.161 0.000 1.017 370 V CA -0.898 61.478 62.300 0.126 0.000 0.844 370 V CB 1.765 33.654 31.823 0.111 0.000 1.011 370 V HN 0.480 nan 8.190 nan 0.000 0.429 371 V N 7.020 126.993 119.914 0.099 0.000 2.508 371 V HA 0.367 4.488 4.120 0.001 0.000 0.281 371 V C -0.004 176.188 176.094 0.163 0.000 1.041 371 V CA 0.215 62.576 62.300 0.101 0.000 1.016 371 V CB 1.005 32.894 31.823 0.110 0.000 0.984 371 V HN 0.627 nan 8.190 nan 0.000 0.478 372 L N 4.644 125.978 121.223 0.185 0.000 2.401 372 L HA 0.562 4.903 4.340 0.001 0.000 0.266 372 L C 0.480 177.400 176.870 0.083 0.000 0.991 372 L CA -0.616 54.333 54.840 0.182 0.000 0.818 372 L CB 2.632 44.853 42.059 0.269 0.000 1.321 372 L HN 0.723 nan 8.230 nan 0.000 0.413 373 T N -2.854 111.721 114.554 0.035 0.000 2.754 373 T HA 0.102 4.452 4.350 0.001 0.000 0.286 373 T C 0.901 175.521 174.700 -0.133 0.000 0.997 373 T CA -0.263 61.805 62.100 -0.054 0.000 0.982 373 T CB 1.339 70.182 68.868 -0.042 0.000 1.027 373 T HN 0.699 nan 8.240 nan 0.000 0.529 374 E N 0.231 120.300 120.200 -0.218 0.000 2.058 374 E HA -0.203 4.148 4.350 0.001 0.000 0.194 374 E C 2.063 178.581 176.600 -0.136 0.000 0.997 374 E CA 1.995 58.237 56.400 -0.263 0.000 0.801 374 E CB -0.417 29.131 29.700 -0.253 0.000 0.746 374 E HN 0.853 nan 8.360 nan 0.000 0.450 375 E N -0.077 120.065 120.200 -0.096 0.000 2.051 375 E HA -0.235 4.116 4.350 0.001 0.000 0.192 375 E C 1.944 178.526 176.600 -0.030 0.000 0.991 375 E CA 1.598 57.959 56.400 -0.064 0.000 0.799 375 E CB -0.049 29.608 29.700 -0.071 0.000 0.748 375 E HN 0.424 nan 8.360 nan 0.000 0.449 376 E N -0.071 120.119 120.200 -0.017 0.000 2.106 376 E HA -0.164 4.187 4.350 0.001 0.000 0.192 376 E C 2.258 179.017 176.600 0.265 0.000 0.984 376 E CA 0.687 57.135 56.400 0.081 0.000 0.806 376 E CB -0.034 29.716 29.700 0.082 0.000 0.750 376 E HN 0.183 nan 8.360 nan 0.000 0.458 377 R N 0.578 121.161 120.500 0.138 0.000 2.081 377 R HA -0.098 4.242 4.340 0.001 0.000 0.235 377 R C 2.381 178.737 176.300 0.094 0.000 1.131 377 R CA 1.115 57.292 56.100 0.128 0.000 0.960 377 R CB -0.213 30.096 30.300 0.014 0.000 0.856 377 R HN -0.058 nan 8.270 nan 0.000 0.436 378 R N 0.975 121.501 120.500 0.043 0.000 2.148 378 R HA -0.024 4.317 4.340 0.001 0.000 0.227 378 R C 1.636 177.973 176.300 0.061 0.000 1.103 378 R CA 1.457 57.574 56.100 0.027 0.000 0.983 378 R CB -0.295 30.002 30.300 -0.006 0.000 0.874 378 R HN 0.231 nan 8.270 nan 0.000 0.451 379 A N -0.438 122.459 122.820 0.128 0.000 2.208 379 A HA 0.209 4.530 4.320 0.001 0.000 0.209 379 A C 0.273 177.991 177.584 0.223 0.000 1.161 379 A CA -0.061 52.089 52.037 0.188 0.000 0.782 379 A CB 0.157 19.294 19.000 0.227 0.000 0.816 379 A HN 0.060 nan 8.150 nan 0.000 0.477 380 V N 1.768 121.767 119.914 0.142 0.000 2.649 380 V HA 0.046 4.167 4.120 0.001 0.000 0.292 380 V C 0.629 176.668 176.094 -0.092 0.000 1.055 380 V CA -0.865 61.396 62.300 -0.064 0.000 1.023 380 V CB 0.927 32.713 31.823 -0.061 0.000 0.992 380 V HN 0.558 nan 8.190 nan 0.000 0.480 381 N N 5.984 124.578 118.700 -0.176 0.000 2.332 381 N HA -0.016 4.725 4.740 0.001 0.000 0.274 381 N C -1.677 173.774 175.510 -0.099 0.000 1.351 381 N CA -0.887 52.085 53.050 -0.129 0.000 0.875 381 N CB 1.274 39.662 38.487 -0.165 0.000 1.140 381 N HN 0.342 nan 8.380 nan 0.000 0.489 382 P HA -0.060 nan 4.420 nan 0.000 0.220 382 P C 0.703 177.968 177.300 -0.059 0.000 1.148 382 P CA 1.012 64.081 63.100 -0.051 0.000 0.803 382 P CB 0.161 31.841 31.700 -0.033 0.000 0.782 383 A N -0.328 122.452 122.820 -0.066 0.000 2.121 383 A HA -0.094 4.226 4.320 0.001 0.000 0.218 383 A C 1.932 179.469 177.584 -0.078 0.000 1.154 383 A CA 1.685 53.681 52.037 -0.067 0.000 0.679 383 A CB -1.368 17.589 19.000 -0.072 0.000 0.795 383 A HN 0.247 nan 8.150 nan 0.000 0.458 384 V N -4.069 115.790 119.914 -0.091 0.000 3.647 384 V HA 0.265 4.385 4.120 0.001 0.000 0.279 384 V C 0.489 176.509 176.094 -0.123 0.000 1.314 384 V CA -0.312 61.930 62.300 -0.097 0.000 1.125 384 V CB -0.678 31.096 31.823 -0.082 0.000 0.907 384 V HN 0.300 nan 8.190 nan 0.000 0.434 385 M N 1.697 121.228 119.600 -0.114 0.000 2.217 385 M HA 0.450 4.931 4.480 0.001 0.000 0.354 385 M C -0.148 176.102 176.300 -0.083 0.000 1.225 385 M CA -0.316 54.908 55.300 -0.126 0.000 1.137 385 M CB 0.714 33.263 32.600 -0.086 0.000 1.576 385 M HN 0.363 nan 8.290 nan 0.000 0.461 386 M N 4.831 124.378 119.600 -0.089 0.000 2.233 386 M HA 0.255 4.735 4.480 0.001 0.000 0.350 386 M C -0.559 175.726 176.300 -0.026 0.000 1.176 386 M CA 0.468 55.743 55.300 -0.043 0.000 1.150 386 M CB 0.038 32.608 32.600 -0.051 0.000 1.530 386 M HN 0.808 nan 8.290 nan 0.000 0.459 387 N N 1.184 119.887 118.700 0.006 0.000 3.261 387 N HA 0.337 5.077 4.740 0.001 0.000 0.248 387 N C -0.659 174.883 175.510 0.053 0.000 1.498 387 N CA -0.712 52.343 53.050 0.008 0.000 0.884 387 N CB 0.168 38.659 38.487 0.007 0.000 1.428 387 N HN 0.446 nan 8.380 nan 0.000 0.517 388 D N -0.200 120.229 120.400 0.049 0.000 2.104 388 D HA -0.118 4.522 4.640 0.001 0.000 0.194 388 D C 1.149 177.533 176.300 0.140 0.000 0.994 388 D CA 2.147 56.211 54.000 0.106 0.000 0.830 388 D CB -0.549 40.292 40.800 0.069 0.000 0.959 388 D HN 0.660 nan 8.370 nan 0.000 0.452 389 T N 1.575 116.177 114.554 0.080 0.000 2.622 389 T HA -0.177 4.174 4.350 0.001 0.000 0.266 389 T C 1.965 176.701 174.700 0.061 0.000 1.047 389 T CA 0.841 62.977 62.100 0.059 0.000 1.159 389 T CB -0.483 68.404 68.868 0.032 0.000 0.863 389 T HN 0.036 nan 8.240 nan 0.000 0.422 390 L N 0.621 121.880 121.223 0.059 0.000 2.046 390 L HA 0.051 4.391 4.340 0.001 0.000 0.208 390 L C 2.060 178.980 176.870 0.083 0.000 1.077 390 L CA 1.573 56.438 54.840 0.042 0.000 0.747 390 L CB -0.987 41.084 42.059 0.020 0.000 0.896 390 L HN 0.240 nan 8.230 nan 0.000 0.432 391 F N 0.623 120.562 119.950 -0.019 0.000 2.095 391 F HA -0.266 4.261 4.527 0.001 0.000 0.298 391 F C 2.303 178.107 175.800 0.006 0.000 1.104 391 F CA 2.015 60.010 58.000 -0.010 0.000 1.232 391 F CB -0.512 38.483 39.000 -0.008 0.000 0.987 391 F HN 0.263 nan 8.300 nan 0.000 0.475 392 N N 0.720 119.418 118.700 -0.004 0.000 2.142 392 N HA -0.125 4.616 4.740 0.001 0.000 0.186 392 N C 2.062 177.518 175.510 -0.090 0.000 1.023 392 N CA 1.454 54.443 53.050 -0.102 0.000 0.852 392 N CB -0.878 37.621 38.487 0.020 0.000 0.998 392 N HN 0.422 nan 8.380 nan 0.000 0.424 393 A N 1.522 124.325 122.820 -0.027 0.000 1.877 393 A HA -0.051 4.269 4.320 0.001 0.000 0.216 393 A C 2.409 180.009 177.584 0.026 0.000 1.186 393 A CA 0.943 52.983 52.037 0.005 0.000 0.620 393 A CB -0.776 18.225 19.000 0.001 0.000 0.822 393 A HN 0.194 nan 8.150 nan 0.000 0.443 394 L N -0.325 120.884 121.223 -0.024 0.000 2.093 394 L HA -0.188 4.152 4.340 0.001 0.000 0.208 394 L C 2.317 179.205 176.870 0.030 0.000 1.085 394 L CA 1.105 55.962 54.840 0.027 0.000 0.755 394 L CB -0.633 41.407 42.059 -0.033 0.000 0.904 394 L HN 0.383 nan 8.230 nan 0.000 0.435 395 N N 0.018 118.610 118.700 -0.181 0.000 2.120 395 N HA -0.177 4.564 4.740 0.001 0.000 0.188 395 N C 1.431 176.882 175.510 -0.098 0.000 1.024 395 N CA 1.340 54.252 53.050 -0.230 0.000 0.852 395 N CB -0.271 37.957 38.487 -0.432 0.000 1.003 395 N HN 0.326 nan 8.380 nan 0.000 0.424 396 D N -0.345 120.033 120.400 -0.036 0.000 2.117 396 D HA -0.146 4.494 4.640 0.001 0.000 0.198 396 D C 1.751 178.101 176.300 0.083 0.000 0.982 396 D CA 0.491 54.496 54.000 0.008 0.000 0.828 396 D CB -0.404 40.413 40.800 0.029 0.000 0.967 396 D HN 0.359 nan 8.370 nan 0.000 0.464 397 W N 1.758 123.047 121.300 -0.018 0.000 2.358 397 W HA -0.201 4.460 4.660 0.001 0.000 0.303 397 W C 2.025 178.618 176.519 0.124 0.000 1.208 397 W CA 1.140 58.547 57.345 0.103 0.000 1.274 397 W CB -0.339 29.187 29.460 0.110 0.000 1.138 397 W HN -0.244 nan 8.180 nan 0.000 0.515 398 V N 0.955 120.855 119.914 -0.023 0.000 2.358 398 V HA -0.284 3.837 4.120 0.001 0.000 0.246 398 V C 2.024 177.990 176.094 -0.215 0.000 1.047 398 V CA 2.347 64.404 62.300 -0.406 0.000 1.035 398 V CB -0.892 30.632 31.823 -0.499 0.000 0.658 398 V HN 0.063 nan 8.190 nan 0.000 0.452 399 D N -0.357 119.958 120.400 -0.142 0.000 2.178 399 D HA -0.153 4.487 4.640 0.001 0.000 0.202 399 D C 2.279 178.495 176.300 -0.140 0.000 0.974 399 D CA 1.091 55.024 54.000 -0.111 0.000 0.841 399 D CB -0.158 40.587 40.800 -0.092 0.000 0.953 399 D HN 0.359 nan 8.370 nan 0.000 0.478 400 R N -0.616 119.758 120.500 -0.211 0.000 2.073 400 R HA -0.100 4.240 4.340 0.001 0.000 0.229 400 R C 1.482 177.458 176.300 -0.540 0.000 1.120 400 R CA 1.089 56.946 56.100 -0.406 0.000 0.967 400 R CB 0.019 29.989 30.300 -0.551 0.000 0.862 400 R HN 0.235 nan 8.270 nan 0.000 0.436 401 Y N -1.992 118.182 120.300 -0.209 0.000 2.462 401 Y HA 0.191 4.742 4.550 0.000 0.000 0.253 401 Y C -0.199 175.595 175.900 -0.176 0.000 1.095 401 Y CA -0.616 57.345 58.100 -0.232 0.000 1.283 401 Y CB 0.456 38.660 38.460 -0.427 0.000 1.138 401 Y HN -0.086 nan 8.280 nan 0.000 0.522 402 Y N 1.665 121.848 120.300 -0.195 0.000 2.304 402 Y HA 0.383 4.934 4.550 0.001 0.000 0.328 402 Y C 0.531 176.376 175.900 -0.092 0.000 1.123 402 Y CA -1.447 56.566 58.100 -0.144 0.000 1.218 402 Y CB 0.541 38.911 38.460 -0.150 0.000 1.207 402 Y HN -0.145 nan 8.280 nan 0.000 0.495 403 R N 1.853 122.370 120.500 0.029 0.000 2.528 403 R HA 0.134 4.474 4.340 0.001 0.000 0.271 403 R C 0.281 176.617 176.300 0.061 0.000 1.056 403 R CA -0.442 55.670 56.100 0.019 0.000 1.117 403 R CB 0.632 30.923 30.300 -0.015 0.000 1.085 403 R HN 0.719 nan 8.270 nan 0.000 0.530 404 D N 1.544 121.972 120.400 0.047 0.000 2.340 404 D HA -0.023 4.618 4.640 0.001 0.000 0.217 404 D C -0.201 176.140 176.300 0.068 0.000 1.081 404 D CA -0.015 54.022 54.000 0.061 0.000 0.842 404 D CB 0.359 41.184 40.800 0.041 0.000 0.934 404 D HN 0.479 nan 8.370 nan 0.000 0.511 405 R N -0.938 119.597 120.500 0.058 0.000 2.579 405 R HA 0.633 4.974 4.340 0.001 0.000 0.260 405 R C -2.120 174.205 176.300 0.042 0.000 1.103 405 R CA -0.996 55.141 56.100 0.062 0.000 0.942 405 R CB 0.940 31.271 30.300 0.050 0.000 1.251 405 R HN 0.037 nan 8.270 nan 0.000 0.450 406 L N 0.962 122.216 121.223 0.051 0.000 2.556 406 L HA 0.663 5.004 4.340 0.001 0.000 0.257 406 L C -1.299 175.594 176.870 0.038 0.000 0.955 406 L CA 0.138 54.990 54.840 0.020 0.000 0.850 406 L CB 2.698 44.755 42.059 -0.002 0.000 1.398 406 L HN 1.037 nan 8.230 nan 0.000 0.412 407 T N 0.259 114.820 114.554 0.012 0.000 2.883 407 T HA 0.696 5.046 4.350 0.001 0.000 0.296 407 T C 0.822 175.505 174.700 -0.029 0.000 1.117 407 T CA -0.196 61.931 62.100 0.045 0.000 1.006 407 T CB 1.479 70.381 68.868 0.057 0.000 1.191 407 T HN 0.847 nan 8.240 nan 0.000 0.508 408 A N 0.765 123.601 122.820 0.027 0.000 1.986 408 A HA 0.128 4.448 4.320 0.001 0.000 0.220 408 A C 2.510 180.049 177.584 -0.075 0.000 1.171 408 A CA 2.249 54.253 52.037 -0.056 0.000 0.640 408 A CB -1.513 17.587 19.000 0.167 0.000 0.811 408 A HN 1.394 nan 8.150 nan 0.000 0.451 409 A N -0.033 122.764 122.820 -0.037 0.000 1.972 409 A HA -0.159 4.161 4.320 0.001 0.000 0.219 409 A C 1.582 179.130 177.584 -0.061 0.000 1.169 409 A CA 1.655 53.664 52.037 -0.046 0.000 0.635 409 A CB -0.458 18.521 19.000 -0.035 0.000 0.810 409 A HN 0.509 nan 8.150 nan 0.000 0.446 410 D N 0.069 120.427 120.400 -0.070 0.000 2.348 410 D HA -0.036 4.604 4.640 0.001 0.000 0.216 410 D C 1.681 177.922 176.300 -0.098 0.000 0.970 410 D CA 0.482 54.438 54.000 -0.074 0.000 0.889 410 D CB -0.204 40.556 40.800 -0.067 0.000 0.912 410 D HN 0.486 nan 8.370 nan 0.000 0.524 411 L N 0.620 121.765 121.223 -0.130 0.000 2.265 411 L HA -0.092 4.248 4.340 0.001 0.000 0.215 411 L C 2.306 179.117 176.870 -0.098 0.000 1.117 411 L CA 0.768 55.524 54.840 -0.140 0.000 0.782 411 L CB -0.284 41.660 42.059 -0.191 0.000 0.914 411 L HN -0.022 nan 8.230 nan 0.000 0.441 412 A N -1.391 121.380 122.820 -0.081 0.000 2.208 412 A HA -0.085 4.235 4.320 0.001 0.000 0.209 412 A C 0.774 178.321 177.584 -0.062 0.000 1.161 412 A CA -0.014 51.982 52.037 -0.068 0.000 0.782 412 A CB -0.330 18.635 19.000 -0.058 0.000 0.816 412 A HN 0.250 nan 8.150 nan 0.000 0.477 413 D N 0.625 120.986 120.400 -0.065 0.000 2.402 413 D HA 0.105 4.745 4.640 0.001 0.000 0.268 413 D C -1.584 174.680 176.300 -0.061 0.000 1.294 413 D CA -1.696 52.269 54.000 -0.058 0.000 0.945 413 D CB 0.884 41.649 40.800 -0.060 0.000 1.112 413 D HN 0.067 nan 8.370 nan 0.000 0.517 414 P HA -0.171 nan 4.420 nan 0.000 0.218 414 P C 1.277 178.543 177.300 -0.058 0.000 1.146 414 P CA 0.940 64.008 63.100 -0.053 0.000 0.813 414 P CB 0.295 31.971 31.700 -0.041 0.000 0.778 415 Q N -1.008 118.761 119.800 -0.052 0.000 2.079 415 Q HA -0.130 4.211 4.340 0.001 0.000 0.200 415 Q C 2.118 178.078 176.000 -0.067 0.000 0.974 415 Q CA 1.063 56.836 55.803 -0.051 0.000 0.840 415 Q CB -1.232 27.481 28.738 -0.042 0.000 0.898 415 Q HN 0.258 nan 8.270 nan 0.000 0.430 416 L N 0.783 121.960 121.223 -0.078 0.000 2.046 416 L HA -0.164 4.177 4.340 0.001 0.000 0.208 416 L C 2.172 178.968 176.870 -0.122 0.000 1.077 416 L CA 1.308 56.088 54.840 -0.100 0.000 0.747 416 L CB -0.836 41.161 42.059 -0.103 0.000 0.896 416 L HN 0.210 nan 8.230 nan 0.000 0.432 417 L N -0.208 120.946 121.223 -0.114 0.000 2.012 417 L HA -0.214 4.126 4.340 0.001 0.000 0.210 417 L C 2.737 179.508 176.870 -0.166 0.000 1.073 417 L CA 2.106 56.863 54.840 -0.138 0.000 0.748 417 L CB -0.783 41.208 42.059 -0.114 0.000 0.891 417 L HN 0.369 nan 8.230 nan 0.000 0.431 418 R N -0.401 120.025 120.500 -0.123 0.000 2.073 418 R HA -0.193 4.147 4.340 0.001 0.000 0.234 418 R C 2.164 178.393 176.300 -0.119 0.000 1.134 418 R CA 1.972 58.004 56.100 -0.113 0.000 0.952 418 R CB -0.321 29.942 30.300 -0.061 0.000 0.850 418 R HN 0.561 nan 8.270 nan 0.000 0.433 419 E N -0.825 119.321 120.200 -0.090 0.000 2.070 419 E HA -0.186 4.164 4.350 0.001 0.000 0.197 419 E C 1.923 178.414 176.600 -0.181 0.000 1.004 419 E CA 1.316 57.681 56.400 -0.060 0.000 0.805 419 E CB -0.311 29.362 29.700 -0.044 0.000 0.744 419 E HN 0.611 nan 8.360 nan 0.000 0.451 420 G N 1.212 109.876 108.800 -0.227 0.000 2.418 420 G HA2 -0.252 3.708 3.960 0.001 0.000 0.217 420 G HA3 -0.252 3.708 3.960 0.001 0.000 0.217 420 G C 1.575 176.264 174.900 -0.351 0.000 1.158 420 G CA 0.337 45.264 45.100 -0.288 0.000 0.771 420 G HN 0.011 nan 8.290 nan 0.000 0.545 421 R N 0.492 120.733 120.500 -0.431 0.000 2.073 421 R HA -0.051 4.289 4.340 0.001 0.000 0.234 421 R C 2.354 178.487 176.300 -0.279 0.000 1.134 421 R CA 1.405 57.100 56.100 -0.675 0.000 0.952 421 R CB -0.944 28.957 30.300 -0.665 0.000 0.850 421 R HN 0.611 nan 8.270 nan 0.000 0.433 422 E N 0.572 120.653 120.200 -0.199 0.000 2.077 422 E HA -0.158 4.193 4.350 0.001 0.000 0.193 422 E C 1.908 178.319 176.600 -0.315 0.000 0.989 422 E CA 1.208 57.531 56.400 -0.129 0.000 0.800 422 E CB -0.019 29.656 29.700 -0.042 0.000 0.746 422 E HN 0.293 nan 8.360 nan 0.000 0.452 423 A N 1.302 123.752 122.820 -0.617 0.000 1.865 423 A HA -0.194 4.126 4.320 0.001 0.000 0.217 423 A C 2.250 179.921 177.584 0.145 0.000 1.191 423 A CA 1.478 53.118 52.037 -0.662 0.000 0.623 423 A CB -0.837 17.802 19.000 -0.601 0.000 0.826 423 A HN 0.348 nan 8.150 nan 0.000 0.444 424 L N -0.793 120.490 121.223 0.101 0.000 2.131 424 L HA -0.189 4.151 4.340 0.001 0.000 0.210 424 L C 2.204 179.243 176.870 0.282 0.000 1.092 424 L CA 1.376 56.331 54.840 0.191 0.000 0.759 424 L CB -0.692 41.364 42.059 -0.005 0.000 0.903 424 L HN 0.343 nan 8.230 nan 0.000 0.435 425 D N -0.143 120.431 120.400 0.290 0.000 2.092 425 D HA -0.155 4.486 4.640 0.001 0.000 0.193 425 D C 2.281 178.668 176.300 0.145 0.000 0.994 425 D CA 1.185 55.326 54.000 0.235 0.000 0.828 425 D CB -0.053 40.880 40.800 0.221 0.000 0.963 425 D HN 0.045 nan 8.370 nan 0.000 0.450 426 V N 0.861 120.863 119.914 0.146 0.000 2.343 426 V HA -0.206 3.914 4.120 0.001 0.000 0.247 426 V C 2.503 178.614 176.094 0.028 0.000 1.051 426 V CA 1.032 63.418 62.300 0.144 0.000 1.036 426 V CB -0.385 31.615 31.823 0.295 0.000 0.654 426 V HN 0.155 nan 8.190 nan 0.000 0.451 427 L N 1.102 122.297 121.223 -0.046 0.000 2.093 427 L HA -0.134 4.207 4.340 0.001 0.000 0.208 427 L C 2.676 179.469 176.870 -0.128 0.000 1.085 427 L CA 2.350 57.001 54.840 -0.316 0.000 0.755 427 L CB -0.629 41.121 42.059 -0.515 0.000 0.904 427 L HN 0.506 nan 8.230 nan 0.000 0.435 428 S N -1.644 114.066 115.700 0.017 0.000 2.447 428 S HA -0.251 4.220 4.470 0.001 0.000 0.233 428 S C 1.900 176.474 174.600 -0.043 0.000 1.006 428 S CA 1.201 59.401 58.200 -0.000 0.000 0.957 428 S CB -0.515 62.712 63.200 0.045 0.000 0.773 428 S HN 0.731 nan 8.310 nan 0.000 0.507 429 Q N 0.720 120.503 119.800 -0.028 0.000 2.061 429 Q HA 0.125 4.466 4.340 0.001 0.000 0.195 429 Q C 2.239 178.210 176.000 -0.049 0.000 0.967 429 Q CA 0.851 56.638 55.803 -0.027 0.000 0.829 429 Q CB -0.287 28.454 28.738 0.004 0.000 0.900 429 Q HN 0.622 nan 8.270 nan 0.000 0.450 430 L N 0.693 121.873 121.223 -0.071 0.000 2.013 430 L HA -0.170 4.170 4.340 0.001 0.000 0.212 430 L C 1.768 178.580 176.870 -0.096 0.000 1.073 430 L CA 1.343 56.130 54.840 -0.089 0.000 0.753 430 L CB -0.069 41.900 42.059 -0.150 0.000 0.890 430 L HN 0.348 nan 8.230 nan 0.000 0.432 431 L N -0.137 121.014 121.223 -0.119 0.000 2.612 431 L HA 0.052 4.393 4.340 0.001 0.000 0.230 431 L C 0.551 177.364 176.870 -0.096 0.000 1.140 431 L CA -0.121 54.653 54.840 -0.111 0.000 0.896 431 L CB -0.754 41.228 42.059 -0.128 0.000 1.065 431 L HN 0.437 nan 8.230 nan 0.000 0.447 432 N N 1.049 119.700 118.700 -0.081 0.000 2.686 432 N HA -0.228 4.513 4.740 0.001 0.000 0.261 432 N C 0.297 175.752 175.510 -0.091 0.000 1.001 432 N CA 0.515 53.521 53.050 -0.074 0.000 0.764 432 N CB -0.865 37.584 38.487 -0.062 0.000 0.898 432 N HN 0.392 nan 8.380 nan 0.000 0.544 433 L N -0.595 120.563 121.223 -0.107 0.000 2.609 433 L HA 0.352 4.693 4.340 0.001 0.000 0.230 433 L C 1.733 178.517 176.870 -0.143 0.000 1.087 433 L CA 0.335 55.090 54.840 -0.141 0.000 0.874 433 L CB -0.322 41.626 42.059 -0.185 0.000 1.114 433 L HN 0.591 nan 8.230 nan 0.000 0.488 434 G N 0.856 109.588 108.800 -0.114 0.000 2.642 434 G HA2 -0.286 3.674 3.960 0.001 0.000 0.231 434 G HA3 -0.286 3.674 3.960 0.001 0.000 0.231 434 G C 0.145 174.961 174.900 -0.140 0.000 1.338 434 G CA -0.095 44.941 45.100 -0.107 0.000 0.883 434 G HN 0.339 nan 8.290 nan 0.000 0.570 435 S N -0.419 115.198 115.700 -0.137 0.000 4.120 435 S HA 0.378 4.849 4.470 0.001 0.000 0.215 435 S C 1.222 175.692 174.600 -0.216 0.000 1.347 435 S CA 0.512 58.608 58.200 -0.173 0.000 0.889 435 S CB 1.086 64.203 63.200 -0.140 0.000 1.585 435 S HN 1.864 nan 8.310 nan 0.000 0.447 436 V N 1.935 121.658 119.914 -0.318 0.000 2.951 436 V HA 0.209 4.329 4.120 0.001 0.000 0.255 436 V C -0.267 175.546 176.094 -0.468 0.000 1.088 436 V CA 0.526 62.575 62.300 -0.420 0.000 1.109 436 V CB -0.467 31.025 31.823 -0.552 0.000 0.724 436 V HN 0.786 nan 8.190 nan 0.000 0.471 437 Y N 0.205 120.390 120.300 -0.192 0.000 2.352 437 Y HA 0.369 4.920 4.550 0.001 0.000 0.326 437 Y C -1.103 174.713 175.900 -0.140 0.000 1.166 437 Y CA -2.121 55.896 58.100 -0.139 0.000 1.182 437 Y CB 0.595 39.013 38.460 -0.071 0.000 1.216 437 Y HN 0.001 nan 8.280 nan 0.000 0.474 438 P HA -0.266 nan 4.420 nan 0.000 0.216 438 P C 1.371 178.758 177.300 0.146 0.000 1.154 438 P CA 1.790 65.008 63.100 0.197 0.000 0.865 438 P CB -0.114 31.810 31.700 0.373 0.000 0.789 439 F N -0.229 119.814 119.950 0.156 0.000 2.408 439 F HA -0.081 4.447 4.527 0.001 0.000 0.300 439 F C 1.527 177.372 175.800 0.076 0.000 1.090 439 F CA 0.954 59.005 58.000 0.085 0.000 1.427 439 F CB -1.441 37.596 39.000 0.063 0.000 1.070 439 F HN -0.044 nan 8.300 nan 0.000 0.549 440 Q N 0.371 119.789 119.800 -0.637 0.000 2.360 440 Q HA 0.194 4.535 4.340 0.001 0.000 0.202 440 Q C 0.475 176.361 176.000 -0.190 0.000 0.915 440 Q CA 0.046 55.551 55.803 -0.496 0.000 0.943 440 Q CB 0.272 28.654 28.738 -0.593 0.000 1.064 440 Q HN 0.445 nan 8.270 nan 0.000 0.511 441 R N 0.000 120.435 120.500 -0.109 0.000 2.786 441 R HA 0.000 4.340 4.340 0.001 0.000 0.208 441 R CA 0.000 56.068 56.100 -0.053 0.000 0.921 441 R CB 0.000 30.277 30.300 -0.039 0.000 0.687 441 R HN 0.000 nan 8.270 nan 0.000 0.535