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 3qae_1_A DATA FIRST_RESID 3 DATA SEQUENCE ISWNGFSKKS YQERLELLKA QALLSPERQA SLEKDEQMSV TVADQLSENV DATA SEQUENCE VGTFSLPYSL VPEVLVNGQE YTVPYVTEEP SVVAAASYAS KIIKRAGGFT DATA SEQUENCE TQVHQRQMIG QVALYQVANP KLAQEKIASK KAELLELANQ AYPSIVKRGG DATA SEQUENCE GARDLHVEQI KGEPDFLVVY IHVDTQEAMG ANMLNTMLEA LKPVLEELSQ DATA SEQUENCE GQSLMGILSN YATDSLVTAS CRIAFRYLSR QKDQGREIAE KIALASQFAQ DATA SEQUENCE ADPYRAATHN KGIFNGIDAI LIATGNDWRA IEAGAHAFAS RDGRYQGLSC DATA SEQUENCE WTLDLEREEL VGEMTLPMPV ATKGSSIGLN PRVALSHDLL GNPSARELAQ DATA SEQUENCE IIVSIGLAQN FAALKALVST 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 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 175.948 176.117 -0.282 0.000 1.063 3 I CA 0.000 61.169 61.300 -0.219 0.000 1.566 3 I CB 0.000 37.836 38.000 -0.273 0.000 1.214 4 S N 2.037 117.631 115.700 -0.176 0.000 2.560 4 S HA 0.144 4.614 4.470 0.000 0.000 0.284 4 S C 0.038 174.546 174.600 -0.153 0.000 1.327 4 S CA 0.425 58.569 58.200 -0.095 0.000 1.055 4 S CB 0.345 63.530 63.200 -0.025 0.000 0.868 4 S HN 0.594 nan 8.310 nan 0.000 0.506 5 W N 2.417 123.697 121.300 -0.035 0.000 3.107 5 W HA 0.194 4.854 4.660 0.000 0.000 0.293 5 W C 0.598 177.148 176.519 0.052 0.000 1.239 5 W CA -0.586 56.728 57.345 -0.051 0.000 1.653 5 W CB -0.027 29.352 29.460 -0.136 0.000 1.068 5 W HN 0.720 nan 8.180 nan 0.000 0.615 6 N N 0.121 118.967 118.700 0.243 0.000 2.441 6 N HA 0.315 5.055 4.740 0.000 0.000 0.251 6 N C 1.130 176.755 175.510 0.192 0.000 1.242 6 N CA 1.164 54.334 53.050 0.199 0.000 0.898 6 N CB 0.519 39.084 38.487 0.129 0.000 1.100 6 N HN 0.127 nan 8.380 nan 0.000 0.443 7 G N -0.099 108.810 108.800 0.182 0.000 2.179 7 G HA2 -0.367 3.593 3.960 0.000 0.000 0.260 7 G HA3 -0.367 3.593 3.960 0.000 0.000 0.260 7 G C 0.406 175.423 174.900 0.196 0.000 0.977 7 G CA 0.368 45.558 45.100 0.150 0.000 0.641 7 G HN 0.589 nan 8.290 nan 0.000 0.533 8 F N 2.370 122.399 119.950 0.132 0.000 2.126 8 F HA -0.030 4.497 4.527 0.000 0.000 0.299 8 F C 2.584 178.455 175.800 0.118 0.000 1.096 8 F CA 2.525 60.625 58.000 0.165 0.000 1.255 8 F CB -0.374 38.806 39.000 0.300 0.000 0.997 8 F HN 0.193 nan 8.300 nan 0.000 0.479 9 S N 0.036 115.798 115.700 0.104 0.000 2.368 9 S HA -0.186 4.284 4.470 0.000 0.000 0.225 9 S C 1.907 176.477 174.600 -0.049 0.000 1.030 9 S CA 1.503 59.695 58.200 -0.013 0.000 0.999 9 S CB -0.275 62.963 63.200 0.063 0.000 0.844 9 S HN 0.399 nan 8.310 nan 0.000 0.459 10 K N 0.848 121.247 120.400 -0.002 0.000 2.305 10 K HA 0.106 4.427 4.320 0.000 0.000 0.199 10 K C 0.541 177.128 176.600 -0.021 0.000 1.047 10 K CA 0.328 56.613 56.287 -0.004 0.000 0.976 10 K CB 0.084 32.596 32.500 0.021 0.000 0.765 10 K HN 0.227 nan 8.250 nan 0.000 0.474 11 K N 1.772 122.150 120.400 -0.036 0.000 2.455 11 K HA -0.035 4.286 4.320 0.000 0.000 0.269 11 K C 0.488 177.050 176.600 -0.064 0.000 0.972 11 K CA -0.034 56.227 56.287 -0.044 0.000 0.938 11 K CB 0.524 32.995 32.500 -0.047 0.000 0.931 11 K HN 0.075 nan 8.250 nan 0.000 0.507 12 S N 0.905 116.587 115.700 -0.030 0.000 2.614 12 S HA -0.026 4.444 4.470 0.000 0.000 0.265 12 S C 1.121 175.725 174.600 0.007 0.000 1.303 12 S CA -0.469 57.733 58.200 0.003 0.000 1.000 12 S CB 0.391 63.605 63.200 0.023 0.000 0.935 12 S HN 0.686 nan 8.310 nan 0.000 0.551 13 Y N 1.346 121.611 120.300 -0.058 0.000 2.102 13 Y HA -0.271 4.279 4.550 0.000 0.000 0.280 13 Y C 2.697 178.592 175.900 -0.010 0.000 1.178 13 Y CA 2.539 60.615 58.100 -0.041 0.000 1.146 13 Y CB -0.768 37.681 38.460 -0.018 0.000 0.968 13 Y HN 0.931 nan 8.280 nan 0.000 0.504 14 Q N 0.085 119.725 119.800 -0.268 0.000 2.084 14 Q HA -0.224 4.116 4.340 0.000 0.000 0.202 14 Q C 2.015 177.914 176.000 -0.167 0.000 0.978 14 Q CA 2.177 57.800 55.803 -0.301 0.000 0.844 14 Q CB -0.262 28.399 28.738 -0.128 0.000 0.898 14 Q HN 0.712 nan 8.270 nan 0.000 0.426 15 E N 0.034 120.181 120.200 -0.088 0.000 2.106 15 E HA -0.148 4.202 4.350 0.000 0.000 0.192 15 E C 2.215 178.813 176.600 -0.004 0.000 0.984 15 E CA 0.852 57.229 56.400 -0.039 0.000 0.806 15 E CB 0.023 29.711 29.700 -0.019 0.000 0.750 15 E HN 0.333 nan 8.360 nan 0.000 0.458 16 R N 0.532 121.007 120.500 -0.040 0.000 2.083 16 R HA -0.134 4.206 4.340 0.000 0.000 0.237 16 R C 2.471 178.893 176.300 0.203 0.000 1.137 16 R CA 1.091 57.225 56.100 0.058 0.000 0.951 16 R CB -0.427 29.714 30.300 -0.264 0.000 0.851 16 R HN 0.188 nan 8.270 nan 0.000 0.434 17 L N 0.577 121.806 121.223 0.010 0.000 2.083 17 L HA -0.193 4.147 4.340 0.000 0.000 0.209 17 L C 2.208 179.087 176.870 0.015 0.000 1.083 17 L CA 1.429 56.268 54.840 -0.001 0.000 0.752 17 L CB -0.292 41.664 42.059 -0.172 0.000 0.899 17 L HN 0.264 nan 8.230 nan 0.000 0.433 18 E N -0.406 119.788 120.200 -0.010 0.000 2.107 18 E HA -0.220 4.130 4.350 0.000 0.000 0.191 18 E C 2.033 178.627 176.600 -0.009 0.000 0.982 18 E CA 0.702 57.094 56.400 -0.014 0.000 0.809 18 E CB -0.016 29.668 29.700 -0.026 0.000 0.756 18 E HN 0.219 nan 8.360 nan 0.000 0.459 19 L N 1.030 122.268 121.223 0.026 0.000 2.017 19 L HA -0.133 4.207 4.340 0.000 0.000 0.208 19 L C 2.154 178.956 176.870 -0.114 0.000 1.073 19 L CA 1.321 56.139 54.840 -0.036 0.000 0.745 19 L CB -0.567 41.532 42.059 0.066 0.000 0.894 19 L HN 0.153 nan 8.230 nan 0.000 0.432 20 L N -0.121 121.129 121.223 0.045 0.000 2.042 20 L HA -0.248 4.092 4.340 0.000 0.000 0.210 20 L C 2.559 179.434 176.870 0.009 0.000 1.076 20 L CA 2.129 57.008 54.840 0.065 0.000 0.749 20 L CB -0.793 41.404 42.059 0.230 0.000 0.893 20 L HN 0.362 nan 8.230 nan 0.000 0.432 21 K N -0.757 119.648 120.400 0.009 0.000 2.057 21 K HA -0.157 4.163 4.320 0.000 0.000 0.207 21 K C 2.019 178.596 176.600 -0.040 0.000 1.049 21 K CA 1.316 57.600 56.287 -0.006 0.000 0.931 21 K CB -0.291 32.206 32.500 -0.007 0.000 0.714 21 K HN 0.483 nan 8.250 nan 0.000 0.440 22 A N 0.854 123.629 122.820 -0.074 0.000 1.972 22 A HA -0.170 4.150 4.320 0.000 0.000 0.219 22 A C 1.905 179.409 177.584 -0.134 0.000 1.169 22 A CA 1.242 53.218 52.037 -0.103 0.000 0.635 22 A CB -0.350 18.574 19.000 -0.126 0.000 0.810 22 A HN 0.368 nan 8.150 nan 0.000 0.446 23 Q N -1.488 118.206 119.800 -0.176 0.000 2.369 23 Q HA 0.111 4.451 4.340 0.000 0.000 0.206 23 Q C 1.108 177.069 176.000 -0.065 0.000 0.963 23 Q CA 0.888 56.588 55.803 -0.171 0.000 0.894 23 Q CB -0.481 28.122 28.738 -0.225 0.000 0.965 23 Q HN 1.047 nan 8.270 nan 0.000 0.475 24 A N 0.518 123.315 122.820 -0.038 0.000 2.791 24 A HA -0.203 4.117 4.320 0.000 0.000 0.292 24 A C 0.936 178.529 177.584 0.016 0.000 1.487 24 A CA 0.744 52.776 52.037 -0.009 0.000 0.760 24 A CB -2.122 16.867 19.000 -0.018 0.000 1.031 24 A HN 0.404 nan 8.150 nan 0.000 0.503 25 L N -1.833 119.415 121.223 0.042 0.000 2.341 25 L HA 0.218 4.558 4.340 0.000 0.000 0.214 25 L C 0.956 177.868 176.870 0.070 0.000 1.115 25 L CA 0.679 55.560 54.840 0.068 0.000 0.820 25 L CB -0.042 42.085 42.059 0.113 0.000 0.944 25 L HN 0.575 nan 8.230 nan 0.000 0.452 26 L N -0.866 120.395 121.223 0.064 0.000 2.342 26 L HA 0.356 4.696 4.340 0.000 0.000 0.271 26 L C 0.533 177.430 176.870 0.045 0.000 1.008 26 L CA -0.686 54.193 54.840 0.064 0.000 0.818 26 L CB 1.994 44.099 42.059 0.076 0.000 1.296 26 L HN 0.009 nan 8.230 nan 0.000 0.427 27 S N 1.497 117.223 115.700 0.043 0.000 2.580 27 S HA 0.149 4.619 4.470 0.000 0.000 0.266 27 S C -1.869 172.748 174.600 0.029 0.000 1.354 27 S CA -0.767 57.452 58.200 0.032 0.000 1.008 27 S CB 0.561 63.780 63.200 0.032 0.000 0.898 27 S HN 0.440 nan 8.310 nan 0.000 0.555 28 P HA -0.128 nan 4.420 nan 0.000 0.215 28 P C 1.328 178.640 177.300 0.021 0.000 1.157 28 P CA 1.594 64.705 63.100 0.018 0.000 0.874 28 P CB -0.031 31.677 31.700 0.014 0.000 0.790 29 E N -0.956 119.257 120.200 0.021 0.000 2.051 29 E HA -0.187 4.163 4.350 0.000 0.000 0.192 29 E C 2.225 178.841 176.600 0.026 0.000 0.991 29 E CA 0.907 57.320 56.400 0.022 0.000 0.799 29 E CB -0.206 29.507 29.700 0.021 0.000 0.748 29 E HN 0.103 nan 8.360 nan 0.000 0.449 30 R N 0.511 121.031 120.500 0.032 0.000 2.075 30 R HA -0.127 4.213 4.340 0.000 0.000 0.232 30 R C 2.303 178.627 176.300 0.041 0.000 1.126 30 R CA 1.111 57.234 56.100 0.039 0.000 0.963 30 R CB -0.515 29.816 30.300 0.052 0.000 0.858 30 R HN 0.170 nan 8.270 nan 0.000 0.435 31 Q N 0.737 120.562 119.800 0.042 0.000 2.084 31 Q HA -0.040 4.300 4.340 0.000 0.000 0.202 31 Q C 1.893 177.913 176.000 0.033 0.000 0.978 31 Q CA 2.029 57.858 55.803 0.042 0.000 0.844 31 Q CB -0.278 28.481 28.738 0.035 0.000 0.898 31 Q HN 0.311 nan 8.270 nan 0.000 0.426 32 A N -0.542 122.293 122.820 0.025 0.000 1.873 32 A HA -0.174 4.146 4.320 0.000 0.000 0.215 32 A C 2.291 179.889 177.584 0.023 0.000 1.186 32 A CA 1.820 53.869 52.037 0.021 0.000 0.616 32 A CB -1.294 17.716 19.000 0.017 0.000 0.823 32 A HN 0.465 nan 8.150 nan 0.000 0.442 33 S N -0.637 115.076 115.700 0.021 0.000 2.372 33 S HA -0.216 4.254 4.470 0.000 0.000 0.227 33 S C 1.950 176.560 174.600 0.015 0.000 1.044 33 S CA 1.905 60.114 58.200 0.016 0.000 1.050 33 S CB -0.492 62.715 63.200 0.011 0.000 0.901 33 S HN 0.514 nan 8.310 nan 0.000 0.447 34 L N 1.555 122.792 121.223 0.023 0.000 2.093 34 L HA 0.071 4.411 4.340 0.000 0.000 0.208 34 L C 2.217 179.127 176.870 0.066 0.000 1.085 34 L CA 1.990 56.852 54.840 0.037 0.000 0.755 34 L CB -0.805 41.294 42.059 0.065 0.000 0.904 34 L HN 0.366 nan 8.230 nan 0.000 0.435 35 E N -0.305 119.924 120.200 0.049 0.000 2.208 35 E HA -0.181 4.169 4.350 0.000 0.000 0.193 35 E C 1.380 178.019 176.600 0.065 0.000 0.988 35 E CA 1.050 57.475 56.400 0.042 0.000 0.828 35 E CB 0.024 29.732 29.700 0.012 0.000 0.763 35 E HN 0.592 nan 8.360 nan 0.000 0.478 36 K N 0.475 120.907 120.400 0.054 0.000 2.437 36 K HA 0.041 4.361 4.320 0.000 0.000 0.198 36 K C -0.159 176.475 176.600 0.057 0.000 1.024 36 K CA 0.255 56.575 56.287 0.055 0.000 1.148 36 K CB 0.337 32.858 32.500 0.035 0.000 0.860 36 K HN -0.205 nan 8.250 nan 0.000 0.515 37 D N 2.912 123.355 120.400 0.071 0.000 2.686 37 D HA -0.203 4.437 4.640 0.000 0.000 0.235 37 D C -0.691 175.616 176.300 0.012 0.000 1.160 37 D CA 0.735 54.766 54.000 0.051 0.000 0.645 37 D CB -0.919 39.921 40.800 0.067 0.000 1.039 37 D HN 0.642 nan 8.370 nan 0.000 0.423 38 E N 0.559 120.762 120.200 0.004 0.000 2.585 38 E HA -0.073 4.277 4.350 0.000 0.000 0.252 38 E C 0.021 176.612 176.600 -0.016 0.000 0.981 38 E CA 0.154 56.553 56.400 -0.003 0.000 0.943 38 E CB 0.428 30.128 29.700 -0.001 0.000 0.923 38 E HN 0.214 nan 8.360 nan 0.000 0.486 39 Q N 3.276 123.072 119.800 -0.006 0.000 2.204 39 Q HA 0.228 4.568 4.340 0.000 0.000 0.254 39 Q C 0.011 176.015 176.000 0.007 0.000 0.981 39 Q CA -0.681 55.119 55.803 -0.004 0.000 0.897 39 Q CB 1.398 30.137 28.738 0.003 0.000 1.273 39 Q HN 0.687 nan 8.270 nan 0.000 0.464 40 M N 1.715 121.325 119.600 0.017 0.000 2.246 40 M HA 0.058 4.538 4.480 0.000 0.000 0.350 40 M C 0.051 176.368 176.300 0.028 0.000 1.406 40 M CA 0.048 55.364 55.300 0.026 0.000 1.089 40 M CB 0.450 33.074 32.600 0.040 0.000 1.782 40 M HN 0.710 nan 8.290 nan 0.000 0.457 41 S N 3.643 119.357 115.700 0.024 0.000 2.600 41 S HA 0.180 4.650 4.470 0.000 0.000 0.265 41 S C 1.014 175.631 174.600 0.027 0.000 1.325 41 S CA -0.962 57.251 58.200 0.022 0.000 1.002 41 S CB 1.081 64.291 63.200 0.018 0.000 0.921 41 S HN 0.659 nan 8.310 nan 0.000 0.554 42 V N 1.678 121.608 119.914 0.026 0.000 2.332 42 V HA -0.181 3.939 4.120 0.000 0.000 0.248 42 V C 2.752 178.861 176.094 0.025 0.000 1.055 42 V CA 2.455 64.772 62.300 0.028 0.000 1.038 42 V CB -1.833 30.005 31.823 0.025 0.000 0.651 42 V HN 1.029 nan 8.190 nan 0.000 0.450 43 T N 0.251 114.818 114.554 0.021 0.000 2.684 43 T HA -0.177 4.173 4.350 0.000 0.000 0.267 43 T C 1.955 176.667 174.700 0.020 0.000 1.036 43 T CA 1.792 63.903 62.100 0.018 0.000 1.148 43 T CB -0.309 68.568 68.868 0.015 0.000 0.863 43 T HN 0.313 nan 8.240 nan 0.000 0.436 44 V N 1.780 121.707 119.914 0.021 0.000 2.358 44 V HA -0.141 3.979 4.120 0.000 0.000 0.246 44 V C 2.934 179.045 176.094 0.027 0.000 1.047 44 V CA 1.545 63.859 62.300 0.023 0.000 1.035 44 V CB -1.325 30.512 31.823 0.024 0.000 0.658 44 V HN 0.533 nan 8.190 nan 0.000 0.452 45 A N 0.297 123.137 122.820 0.033 0.000 1.917 45 A HA -0.353 3.967 4.320 0.000 0.000 0.219 45 A C 2.039 179.642 177.584 0.031 0.000 1.182 45 A CA 2.412 54.472 52.037 0.038 0.000 0.633 45 A CB -0.802 18.226 19.000 0.047 0.000 0.819 45 A HN 0.604 nan 8.150 nan 0.000 0.448 46 D N -0.913 119.503 120.400 0.026 0.000 2.218 46 D HA -0.143 4.497 4.640 0.000 0.000 0.204 46 D C 2.109 178.419 176.300 0.017 0.000 0.976 46 D CA 1.491 55.503 54.000 0.021 0.000 0.853 46 D CB -0.122 40.690 40.800 0.019 0.000 0.939 46 D HN 0.658 nan 8.370 nan 0.000 0.481 47 Q N -0.575 119.236 119.800 0.017 0.000 2.137 47 Q HA 0.020 4.360 4.340 0.000 0.000 0.198 47 Q C 2.340 178.349 176.000 0.014 0.000 0.960 47 Q CA 0.475 56.287 55.803 0.014 0.000 0.847 47 Q CB 0.156 28.902 28.738 0.014 0.000 0.915 47 Q HN 0.352 nan 8.270 nan 0.000 0.448 48 L N -0.114 121.120 121.223 0.018 0.000 2.027 48 L HA -0.052 4.288 4.340 0.000 0.000 0.206 48 L C 1.504 178.380 176.870 0.011 0.000 1.074 48 L CA 0.572 55.423 54.840 0.017 0.000 0.745 48 L CB 0.009 42.084 42.059 0.027 0.000 0.898 48 L HN 0.075 nan 8.230 nan 0.000 0.433 49 S N -1.777 113.931 115.700 0.014 0.000 2.798 49 S HA 0.432 4.902 4.470 0.000 0.000 0.312 49 S C -0.808 173.797 174.600 0.008 0.000 1.122 49 S CA -0.739 57.466 58.200 0.009 0.000 0.949 49 S CB 1.551 64.759 63.200 0.014 0.000 1.235 49 S HN 0.077 nan 8.310 nan 0.000 0.552 50 E N 1.064 121.266 120.200 0.004 0.000 2.264 50 E HA 0.510 4.861 4.350 0.000 0.000 0.260 50 E C -0.575 176.030 176.600 0.007 0.000 0.961 50 E CA -0.711 55.692 56.400 0.004 0.000 0.834 50 E CB 0.388 30.087 29.700 -0.000 0.000 1.230 50 E HN 0.555 nan 8.360 nan 0.000 0.412 51 N N -0.796 117.909 118.700 0.008 0.000 2.710 51 N HA -0.155 4.585 4.740 0.000 0.000 0.249 51 N C -1.018 174.501 175.510 0.015 0.000 1.059 51 N CA 0.459 53.515 53.050 0.010 0.000 0.720 51 N CB -1.597 36.895 38.487 0.007 0.000 0.983 51 N HN 0.186 nan 8.380 nan 0.000 0.544 52 V N 0.880 120.805 119.914 0.018 0.000 2.521 52 V HA 0.118 4.238 4.120 0.000 0.000 0.286 52 V C 1.569 177.679 176.094 0.027 0.000 1.034 52 V CA 0.305 62.620 62.300 0.026 0.000 1.045 52 V CB 1.392 33.231 31.823 0.028 0.000 0.974 52 V HN 0.290 nan 8.190 nan 0.000 0.480 53 V N 2.055 121.989 119.914 0.033 0.000 3.432 53 V HA 0.842 4.962 4.120 0.000 0.000 0.298 53 V C 0.521 176.638 176.094 0.039 0.000 1.464 53 V CA 0.770 63.089 62.300 0.032 0.000 1.046 53 V CB 0.026 31.867 31.823 0.030 0.000 0.887 53 V HN 1.049 nan 8.190 nan 0.000 0.441 54 G N 0.479 109.308 108.800 0.048 0.000 2.356 54 G HA2 0.507 4.467 3.960 0.000 0.000 0.281 54 G HA3 0.507 4.467 3.960 0.000 0.000 0.281 54 G C -0.615 174.330 174.900 0.074 0.000 1.246 54 G CA 0.357 45.489 45.100 0.055 0.000 0.889 54 G HN 0.968 nan 8.290 nan 0.000 0.486 55 T N -2.517 112.088 114.554 0.085 0.000 2.887 55 T HA 0.765 5.115 4.350 0.000 0.000 0.292 55 T C -1.628 173.171 174.700 0.166 0.000 1.087 55 T CA -0.686 61.485 62.100 0.118 0.000 1.009 55 T CB 2.487 71.403 68.868 0.080 0.000 1.203 55 T HN 1.356 nan 8.240 nan 0.000 0.518 56 F N 0.807 120.775 119.950 0.030 0.000 2.547 56 F HA 0.689 5.216 4.527 0.000 0.000 0.316 56 F C -0.710 175.108 175.800 0.030 0.000 1.121 56 F CA -0.371 57.647 58.000 0.029 0.000 0.911 56 F CB 2.228 41.250 39.000 0.037 0.000 1.179 56 F HN 0.749 nan 8.300 nan 0.000 0.443 57 S N 5.912 121.413 115.700 -0.332 0.000 2.501 57 S HA 0.829 5.299 4.470 0.000 0.000 0.301 57 S C -0.881 173.628 174.600 -0.152 0.000 1.096 57 S CA -0.592 57.522 58.200 -0.143 0.000 1.063 57 S CB 1.613 64.729 63.200 -0.139 0.000 1.042 57 S HN 0.585 nan 8.310 nan 0.000 0.494 58 L N 2.032 123.279 121.223 0.040 0.000 2.303 58 L HA 0.605 4.945 4.340 0.000 0.000 0.256 58 L C -2.339 174.575 176.870 0.072 0.000 1.034 58 L CA -2.326 52.559 54.840 0.075 0.000 0.832 58 L CB 1.446 43.595 42.059 0.150 0.000 1.403 58 L HN 0.409 nan 8.230 nan 0.000 0.419 59 P HA 0.146 nan 4.420 nan 0.000 0.274 59 P C -1.798 175.606 177.300 0.173 0.000 1.237 59 P CA -0.029 63.125 63.100 0.090 0.000 0.793 59 P CB 0.317 32.050 31.700 0.054 0.000 0.977 60 Y N 0.723 121.058 120.300 0.059 0.000 2.326 60 Y HA 0.495 5.045 4.550 0.000 0.000 0.329 60 Y C -0.647 175.320 175.900 0.112 0.000 0.973 60 Y CA -0.084 58.069 58.100 0.089 0.000 1.162 60 Y CB 1.359 39.872 38.460 0.089 0.000 1.147 60 Y HN 0.309 nan 8.280 nan 0.000 0.456 61 S N 5.128 120.692 115.700 -0.227 0.000 2.715 61 S HA 0.707 5.177 4.470 0.000 0.000 0.307 61 S C -1.350 173.133 174.600 -0.195 0.000 1.119 61 S CA -0.896 57.245 58.200 -0.098 0.000 0.937 61 S CB 1.555 64.742 63.200 -0.022 0.000 1.150 61 S HN 0.600 nan 8.310 nan 0.000 0.521 62 L N 1.490 122.692 121.223 -0.035 0.000 2.362 62 L HA 0.620 4.960 4.340 0.000 0.000 0.275 62 L C -1.258 175.482 176.870 -0.217 0.000 0.998 62 L CA -0.875 53.901 54.840 -0.107 0.000 0.820 62 L CB 1.805 43.860 42.059 -0.006 0.000 1.270 62 L HN 0.302 nan 8.230 nan 0.000 0.415 63 V N 4.261 123.959 119.914 -0.359 0.000 2.311 63 V HA 0.356 4.476 4.120 0.000 0.000 0.275 63 V C -2.075 173.750 176.094 -0.448 0.000 1.022 63 V CA -1.398 60.646 62.300 -0.427 0.000 0.830 63 V CB 1.158 32.632 31.823 -0.582 0.000 1.012 63 V HN 0.562 nan 8.190 nan 0.000 0.452 64 P HA 0.387 nan 4.420 nan 0.000 0.281 64 P C -0.226 176.750 177.300 -0.540 0.000 1.264 64 P CA -0.390 62.168 63.100 -0.903 0.000 0.824 64 P CB 0.789 31.302 31.700 -1.979 0.000 1.092 65 E N -2.119 117.832 120.200 -0.415 0.000 2.442 65 E HA -0.090 4.260 4.350 0.000 0.000 0.256 65 E C -0.712 175.838 176.600 -0.085 0.000 1.095 65 E CA -0.028 56.257 56.400 -0.191 0.000 0.747 65 E CB -2.120 27.474 29.700 -0.177 0.000 1.310 65 E HN 0.161 nan 8.360 nan 0.000 0.396 66 V N 1.781 121.679 119.914 -0.027 0.000 2.372 66 V HA 0.164 4.284 4.120 0.000 0.000 0.261 66 V C 0.219 176.417 176.094 0.172 0.000 1.055 66 V CA -0.273 62.083 62.300 0.092 0.000 0.930 66 V CB 0.713 32.583 31.823 0.078 0.000 1.031 66 V HN 0.207 nan 8.190 nan 0.000 0.479 67 L N 7.696 129.016 121.223 0.160 0.000 2.255 67 L HA 0.542 4.882 4.340 0.000 0.000 0.289 67 L C -0.288 176.725 176.870 0.238 0.000 1.046 67 L CA 0.387 55.308 54.840 0.135 0.000 0.816 67 L CB 1.274 43.343 42.059 0.017 0.000 1.197 67 L HN 0.423 nan 8.230 nan 0.000 0.427 68 V N 5.506 125.570 119.914 0.250 0.000 2.409 68 V HA 0.401 4.521 4.120 0.000 0.000 0.290 68 V C -0.035 176.159 176.094 0.167 0.000 1.017 68 V CA -0.882 61.558 62.300 0.234 0.000 0.841 68 V CB 1.242 33.181 31.823 0.192 0.000 1.003 68 V HN 0.815 nan 8.190 nan 0.000 0.426 69 N N 3.895 122.661 118.700 0.111 0.000 2.727 69 N HA -0.212 4.528 4.740 0.000 0.000 0.249 69 N C 1.224 176.760 175.510 0.043 0.000 1.048 69 N CA 1.641 54.729 53.050 0.063 0.000 0.714 69 N CB -1.081 37.440 38.487 0.056 0.000 0.959 69 N HN 1.581 nan 8.380 nan 0.000 0.544 70 G N -1.415 107.404 108.800 0.031 0.000 2.162 70 G HA2 -0.356 3.604 3.960 0.000 0.000 0.260 70 G HA3 -0.356 3.604 3.960 0.000 0.000 0.260 70 G C -0.140 174.749 174.900 -0.018 0.000 0.976 70 G CA 0.868 45.968 45.100 0.001 0.000 0.655 70 G HN 0.741 nan 8.290 nan 0.000 0.533 71 Q N 0.439 120.234 119.800 -0.009 0.000 2.331 71 Q HA 0.637 4.977 4.340 0.000 0.000 0.267 71 Q C -0.324 175.566 176.000 -0.184 0.000 1.006 71 Q CA -0.670 55.059 55.803 -0.125 0.000 0.818 71 Q CB 1.099 29.753 28.738 -0.140 0.000 1.276 71 Q HN 0.450 nan 8.270 nan 0.000 0.450 72 E N 3.346 123.386 120.200 -0.266 0.000 2.216 72 E HA 0.346 4.696 4.350 0.000 0.000 0.279 72 E C -1.330 175.060 176.600 -0.351 0.000 0.997 72 E CA -0.479 55.816 56.400 -0.174 0.000 0.817 72 E CB 0.633 30.283 29.700 -0.082 0.000 1.096 72 E HN 0.633 nan 8.360 nan 0.000 0.393 73 Y N 1.183 121.469 120.300 -0.023 0.000 2.524 73 Y HA 0.304 4.854 4.550 0.000 0.000 0.344 73 Y C -0.077 175.768 175.900 -0.091 0.000 1.012 73 Y CA -0.985 57.094 58.100 -0.035 0.000 1.068 73 Y CB 2.397 40.836 38.460 -0.035 0.000 1.249 73 Y HN 0.326 nan 8.280 nan 0.000 0.468 74 T N 2.700 117.296 114.554 0.069 0.000 2.738 74 T HA 0.399 4.749 4.350 0.000 0.000 0.298 74 T C -0.456 174.220 174.700 -0.040 0.000 0.962 74 T CA -0.519 61.526 62.100 -0.091 0.000 0.972 74 T CB 0.205 69.032 68.868 -0.067 0.000 0.928 74 T HN 0.279 nan 8.240 nan 0.000 0.474 75 V N 7.681 127.534 119.914 -0.103 0.000 2.407 75 V HA 0.356 4.476 4.120 0.000 0.000 0.278 75 V C -1.948 174.103 176.094 -0.072 0.000 1.037 75 V CA -2.054 60.211 62.300 -0.058 0.000 0.900 75 V CB 1.313 33.112 31.823 -0.040 0.000 0.983 75 V HN 0.679 nan 8.190 nan 0.000 0.459 76 P HA 0.357 nan 4.420 nan 0.000 0.285 76 P C -1.585 175.729 177.300 0.023 0.000 1.259 76 P CA -0.380 62.631 63.100 -0.149 0.000 0.794 76 P CB 0.866 32.498 31.700 -0.114 0.000 0.940 77 Y N 0.810 120.894 120.300 -0.360 0.000 2.462 77 Y HA 0.392 4.942 4.550 0.000 0.000 0.346 77 Y C -0.131 175.641 175.900 -0.213 0.000 0.976 77 Y CA -1.198 56.769 58.100 -0.221 0.000 1.044 77 Y CB 2.311 40.677 38.460 -0.156 0.000 1.230 77 Y HN 0.024 nan 8.280 nan 0.000 0.455 78 V N 3.159 123.050 119.914 -0.039 0.000 2.325 78 V HA 0.523 4.643 4.120 0.000 0.000 0.280 78 V C -0.355 175.713 176.094 -0.044 0.000 1.016 78 V CA -0.430 61.875 62.300 0.009 0.000 0.818 78 V CB 1.362 33.225 31.823 0.067 0.000 1.019 78 V HN 0.812 nan 8.190 nan 0.000 0.434 79 T N 2.352 116.911 114.554 0.007 0.000 2.916 79 T HA 0.361 4.711 4.350 0.000 0.000 0.305 79 T C 0.502 175.214 174.700 0.020 0.000 1.119 79 T CA -0.353 61.740 62.100 -0.011 0.000 1.008 79 T CB 2.061 70.927 68.868 -0.002 0.000 1.129 79 T HN 0.763 nan 8.240 nan 0.000 0.480 80 E N 2.749 122.955 120.200 0.011 0.000 2.474 80 E HA 0.106 4.456 4.350 0.000 0.000 0.195 80 E C 0.262 176.874 176.600 0.021 0.000 1.039 80 E CA 0.066 56.482 56.400 0.027 0.000 0.881 80 E CB 0.284 30.011 29.700 0.045 0.000 0.970 80 E HN 0.736 nan 8.360 nan 0.000 0.486 81 E N 2.249 122.460 120.200 0.017 0.000 2.167 81 E HA 0.267 4.618 4.350 0.000 0.000 0.284 81 E C -2.261 174.353 176.600 0.023 0.000 1.016 81 E CA -2.680 53.731 56.400 0.018 0.000 0.817 81 E CB 0.892 30.602 29.700 0.016 0.000 1.080 81 E HN -0.079 nan 8.360 nan 0.000 0.397 82 P HA -0.106 nan 4.420 nan 0.000 0.262 82 P C -0.038 177.269 177.300 0.011 0.000 1.182 82 P CA 0.878 63.985 63.100 0.010 0.000 0.761 82 P CB 0.646 32.348 31.700 0.004 0.000 0.795 83 S N 0.150 115.856 115.700 0.010 0.000 2.427 83 S HA -0.229 4.242 4.470 0.000 0.000 0.253 83 S C 1.198 175.811 174.600 0.021 0.000 1.246 83 S CA 1.169 59.372 58.200 0.004 0.000 1.421 83 S CB -2.314 60.879 63.200 -0.012 0.000 1.769 83 S HN 0.151 nan 8.310 nan 0.000 0.620 84 V N 1.617 121.559 119.914 0.046 0.000 2.287 84 V HA -0.172 3.948 4.120 0.000 0.000 0.248 84 V C 2.601 178.759 176.094 0.106 0.000 1.053 84 V CA 2.311 64.665 62.300 0.090 0.000 1.027 84 V CB -0.830 31.060 31.823 0.112 0.000 0.646 84 V HN 0.659 nan 8.190 nan 0.000 0.447 85 V N -0.016 119.939 119.914 0.069 0.000 2.307 85 V HA -0.206 3.914 4.120 0.000 0.000 0.245 85 V C 2.691 178.750 176.094 -0.059 0.000 1.045 85 V CA 1.822 64.092 62.300 -0.051 0.000 1.024 85 V CB -1.125 30.670 31.823 -0.047 0.000 0.651 85 V HN 0.558 nan 8.190 nan 0.000 0.449 86 A N 0.141 122.956 122.820 -0.007 0.000 1.917 86 A HA -0.217 4.103 4.320 0.000 0.000 0.219 86 A C 2.389 180.000 177.584 0.045 0.000 1.182 86 A CA 2.466 54.511 52.037 0.014 0.000 0.633 86 A CB -0.782 18.220 19.000 0.003 0.000 0.819 86 A HN 0.594 nan 8.150 nan 0.000 0.448 87 A N -0.544 122.297 122.820 0.036 0.000 1.897 87 A HA 0.273 4.594 4.320 0.000 0.000 0.215 87 A C 2.492 180.161 177.584 0.142 0.000 1.181 87 A CA 1.808 53.890 52.037 0.075 0.000 0.620 87 A CB -0.926 18.097 19.000 0.038 0.000 0.821 87 A HN 1.039 nan 8.150 nan 0.000 0.443 88 A N -0.356 122.506 122.820 0.070 0.000 1.898 88 A HA -0.052 4.268 4.320 0.000 0.000 0.216 88 A C 2.430 180.013 177.584 -0.002 0.000 1.181 88 A CA 2.029 54.086 52.037 0.034 0.000 0.620 88 A CB -0.828 18.097 19.000 -0.125 0.000 0.819 88 A HN 0.443 nan 8.150 nan 0.000 0.442 89 S N -1.609 114.062 115.700 -0.049 0.000 2.368 89 S HA -0.168 4.302 4.470 0.000 0.000 0.225 89 S C 1.843 176.476 174.600 0.056 0.000 1.030 89 S CA 1.491 59.664 58.200 -0.046 0.000 0.999 89 S CB -0.587 62.589 63.200 -0.040 0.000 0.844 89 S HN 0.713 nan 8.310 nan 0.000 0.459 90 Y N 2.434 122.738 120.300 0.008 0.000 2.145 90 Y HA -0.106 4.444 4.550 0.000 0.000 0.286 90 Y C 2.449 178.414 175.900 0.109 0.000 1.145 90 Y CA 1.127 59.258 58.100 0.050 0.000 1.148 90 Y CB -0.793 37.697 38.460 0.049 0.000 0.981 90 Y HN 0.200 nan 8.280 nan 0.000 0.507 91 A N -0.489 122.503 122.820 0.287 0.000 1.908 91 A HA -0.219 4.101 4.320 0.000 0.000 0.218 91 A C 2.385 180.010 177.584 0.068 0.000 1.181 91 A CA 2.228 54.455 52.037 0.316 0.000 0.627 91 A CB -1.199 18.084 19.000 0.473 0.000 0.818 91 A HN 0.530 nan 8.150 nan 0.000 0.445 92 S N -0.714 115.015 115.700 0.048 0.000 2.383 92 S HA -0.102 4.368 4.470 0.000 0.000 0.227 92 S C 2.033 176.574 174.600 -0.098 0.000 1.026 92 S CA 1.616 59.822 58.200 0.011 0.000 0.981 92 S CB -0.184 63.014 63.200 -0.004 0.000 0.818 92 S HN 0.580 nan 8.310 nan 0.000 0.472 93 K N 1.901 122.223 120.400 -0.129 0.000 2.025 93 K HA 0.040 4.360 4.320 0.000 0.000 0.207 93 K C 1.756 178.217 176.600 -0.231 0.000 1.049 93 K CA 1.104 57.294 56.287 -0.161 0.000 0.933 93 K CB -0.593 31.828 32.500 -0.132 0.000 0.714 93 K HN 0.178 nan 8.250 nan 0.000 0.438 94 I N 0.929 121.328 120.570 -0.286 0.000 2.127 94 I HA -0.261 3.909 4.170 0.000 0.000 0.241 94 I C 2.291 178.169 176.117 -0.398 0.000 1.075 94 I CA 1.485 62.592 61.300 -0.322 0.000 1.334 94 I CB -0.872 36.958 38.000 -0.283 0.000 1.040 94 I HN 0.153 nan 8.210 nan 0.000 0.405 95 I N 0.525 120.843 120.570 -0.419 0.000 2.394 95 I HA -0.281 3.889 4.170 0.000 0.000 0.251 95 I C 2.624 178.482 176.117 -0.432 0.000 1.136 95 I CA 1.062 62.058 61.300 -0.506 0.000 1.425 95 I CB -0.350 37.242 38.000 -0.679 0.000 1.079 95 I HN 0.255 nan 8.210 nan 0.000 0.425 96 K N 1.346 121.554 120.400 -0.319 0.000 2.026 96 K HA -0.173 4.147 4.320 0.000 0.000 0.208 96 K C 2.307 178.733 176.600 -0.290 0.000 1.048 96 K CA 1.314 57.456 56.287 -0.243 0.000 0.929 96 K CB -0.038 32.367 32.500 -0.159 0.000 0.713 96 K HN 0.184 nan 8.250 nan 0.000 0.439 97 R N -0.132 120.141 120.500 -0.378 0.000 2.117 97 R HA -0.120 4.220 4.340 0.000 0.000 0.243 97 R C 2.052 177.904 176.300 -0.747 0.000 1.143 97 R CA 1.349 57.126 56.100 -0.538 0.000 0.968 97 R CB -0.294 29.602 30.300 -0.674 0.000 0.863 97 R HN 0.244 nan 8.270 nan 0.000 0.444 98 A N -0.324 122.073 122.820 -0.706 0.000 2.238 98 A HA 0.227 4.547 4.320 0.000 0.000 0.208 98 A C 1.294 178.738 177.584 -0.233 0.000 1.177 98 A CA 0.834 52.599 52.037 -0.454 0.000 0.804 98 A CB 0.079 18.901 19.000 -0.296 0.000 0.823 98 A HN 0.488 nan 8.150 nan 0.000 0.482 99 G N -2.835 105.823 108.800 -0.237 0.000 2.184 99 G HA2 0.269 4.229 3.960 0.000 0.000 0.206 99 G HA3 0.269 4.229 3.960 0.000 0.000 0.206 99 G C 1.375 176.176 174.900 -0.166 0.000 0.995 99 G CA 0.369 45.376 45.100 -0.155 0.000 0.651 99 G HN 2.275 nan 8.290 nan 0.000 0.511 100 G N -0.917 107.727 108.800 -0.259 0.000 2.698 100 G HA2 0.126 4.086 3.960 0.000 0.000 0.233 100 G HA3 0.126 4.086 3.960 0.000 0.000 0.233 100 G C -0.096 174.591 174.900 -0.354 0.000 1.352 100 G CA -0.049 44.880 45.100 -0.286 0.000 0.879 100 G HN 1.208 nan 8.290 nan 0.000 0.567 101 F N 0.594 120.516 119.950 -0.047 0.000 2.377 101 F HA 0.620 5.147 4.527 0.000 0.000 0.328 101 F C 1.141 176.917 175.800 -0.040 0.000 1.094 101 F CA 0.040 58.012 58.000 -0.047 0.000 1.093 101 F CB 2.171 41.144 39.000 -0.045 0.000 1.214 101 F HN 0.429 nan 8.300 nan 0.000 0.518 102 T N 0.921 115.560 114.554 0.141 0.000 2.779 102 T HA 0.592 4.942 4.350 0.000 0.000 0.280 102 T C -0.327 174.405 174.700 0.053 0.000 0.987 102 T CA -0.780 61.360 62.100 0.066 0.000 0.966 102 T CB 1.235 70.115 68.868 0.021 0.000 0.933 102 T HN 0.723 nan 8.240 nan 0.000 0.442 103 T N 0.876 115.439 114.554 0.014 0.000 2.900 103 T HA 0.754 5.105 4.350 0.000 0.000 0.303 103 T C -1.450 173.202 174.700 -0.081 0.000 1.142 103 T CA -1.064 61.014 62.100 -0.036 0.000 1.007 103 T CB 2.051 70.890 68.868 -0.049 0.000 1.156 103 T HN 0.710 nan 8.240 nan 0.000 0.490 104 Q N 0.546 120.255 119.800 -0.152 0.000 2.379 104 Q HA 0.698 5.038 4.340 0.000 0.000 0.278 104 Q C -1.735 174.063 176.000 -0.337 0.000 1.068 104 Q CA -1.256 54.408 55.803 -0.231 0.000 0.816 104 Q CB 2.193 30.770 28.738 -0.268 0.000 1.387 104 Q HN 0.494 nan 8.270 nan 0.000 0.413 105 V N 3.504 123.263 119.914 -0.258 0.000 2.364 105 V HA 0.115 4.235 4.120 0.000 0.000 0.272 105 V C 0.702 176.655 176.094 -0.234 0.000 1.036 105 V CA -0.362 61.809 62.300 -0.215 0.000 0.880 105 V CB 0.568 32.327 31.823 -0.106 0.000 0.991 105 V HN 0.831 nan 8.190 nan 0.000 0.460 106 H N 2.931 121.974 119.070 -0.045 0.000 2.343 106 H HA 0.153 4.709 4.556 0.000 0.000 0.303 106 H C 0.543 175.850 175.328 -0.034 0.000 1.068 106 H CA 0.901 56.927 56.048 -0.037 0.000 1.359 106 H CB 0.632 30.370 29.762 -0.040 0.000 1.402 106 H HN 0.579 nan 8.280 nan 0.000 0.515 107 Q N -0.429 119.422 119.800 0.085 0.000 2.511 107 Q HA 0.424 4.764 4.340 0.000 0.000 0.289 107 Q C -0.808 175.197 176.000 0.008 0.000 1.021 107 Q CA -0.675 55.149 55.803 0.034 0.000 0.785 107 Q CB 3.374 32.131 28.738 0.032 0.000 1.472 107 Q HN 0.066 nan 8.270 nan 0.000 0.411 108 R N 1.736 122.238 120.500 0.004 0.000 2.576 108 R HA 0.332 4.672 4.340 0.000 0.000 0.283 108 R C -1.485 174.818 176.300 0.006 0.000 1.493 108 R CA 0.166 56.264 56.100 -0.004 0.000 1.170 108 R CB 0.880 31.174 30.300 -0.010 0.000 1.189 108 R HN 0.622 nan 8.270 nan 0.000 0.542 109 Q N 2.892 122.697 119.800 0.009 0.000 2.416 109 Q HA 0.456 4.796 4.340 0.000 0.000 0.281 109 Q C -0.954 175.043 176.000 -0.005 0.000 1.067 109 Q CA -1.121 54.694 55.803 0.020 0.000 0.809 109 Q CB 2.662 31.441 28.738 0.068 0.000 1.418 109 Q HN 0.321 nan 8.270 nan 0.000 0.411 110 M N 1.912 121.502 119.600 -0.017 0.000 2.363 110 M HA 0.517 4.997 4.480 0.000 0.000 0.343 110 M C -0.527 175.725 176.300 -0.080 0.000 1.165 110 M CA -0.348 54.925 55.300 -0.045 0.000 1.046 110 M CB 0.683 33.255 32.600 -0.047 0.000 1.648 110 M HN 0.544 nan 8.290 nan 0.000 0.452 111 I N 1.213 121.719 120.570 -0.108 0.000 2.377 111 I HA 0.634 4.804 4.170 0.000 0.000 0.293 111 I C 0.582 176.654 176.117 -0.074 0.000 0.987 111 I CA -0.485 60.714 61.300 -0.169 0.000 1.185 111 I CB 1.940 39.819 38.000 -0.203 0.000 1.341 111 I HN 0.759 nan 8.210 nan 0.000 0.455 112 G N 4.879 113.638 108.800 -0.068 0.000 2.453 112 G HA2 0.702 4.662 3.960 0.000 0.000 0.323 112 G HA3 0.702 4.662 3.960 0.000 0.000 0.323 112 G C -1.423 173.441 174.900 -0.061 0.000 1.198 112 G CA -0.439 44.630 45.100 -0.051 0.000 0.959 112 G HN 0.622 nan 8.290 nan 0.000 0.482 113 Q N -0.344 119.392 119.800 -0.108 0.000 2.359 113 Q HA 0.691 5.031 4.340 0.000 0.000 0.274 113 Q C -1.733 174.146 176.000 -0.201 0.000 1.074 113 Q CA -0.980 54.674 55.803 -0.249 0.000 0.810 113 Q CB 2.747 31.270 28.738 -0.358 0.000 1.342 113 Q HN 0.307 nan 8.270 nan 0.000 0.427 114 V N 1.399 121.178 119.914 -0.225 0.000 2.417 114 V HA 0.723 4.843 4.120 0.000 0.000 0.291 114 V C -0.479 175.524 176.094 -0.152 0.000 1.024 114 V CA -0.606 61.609 62.300 -0.142 0.000 0.861 114 V CB 1.474 33.243 31.823 -0.090 0.000 0.985 114 V HN 0.913 nan 8.190 nan 0.000 0.436 115 A N 6.588 129.358 122.820 -0.083 0.000 2.260 115 A HA 0.836 5.156 4.320 0.000 0.000 0.308 115 A C -0.721 176.959 177.584 0.160 0.000 1.254 115 A CA -0.374 51.660 52.037 -0.006 0.000 0.874 115 A CB 0.296 19.239 19.000 -0.095 0.000 1.153 115 A HN 0.792 nan 8.150 nan 0.000 0.527 116 L N 2.948 124.284 121.223 0.189 0.000 2.325 116 L HA 0.707 5.047 4.340 0.000 0.000 0.278 116 L C -0.314 176.733 176.870 0.295 0.000 1.023 116 L CA -0.793 54.149 54.840 0.170 0.000 0.811 116 L CB 1.402 43.483 42.059 0.036 0.000 1.249 116 L HN 0.859 nan 8.230 nan 0.000 0.431 117 Y N -0.755 119.581 120.300 0.060 0.000 2.705 117 Y HA 0.468 5.018 4.550 0.000 0.000 0.332 117 Y C -0.170 175.695 175.900 -0.057 0.000 1.157 117 Y CA -1.674 56.393 58.100 -0.055 0.000 1.091 117 Y CB 0.975 39.362 38.460 -0.122 0.000 1.301 117 Y HN 0.604 nan 8.280 nan 0.000 0.488 118 Q N -0.126 119.669 119.800 -0.009 0.000 2.453 118 Q HA -0.116 4.225 4.340 0.000 0.000 0.294 118 Q C -1.306 174.637 176.000 -0.095 0.000 1.295 118 Q CA 0.654 56.413 55.803 -0.074 0.000 0.853 118 Q CB -1.363 27.291 28.738 -0.141 0.000 1.193 118 Q HN 0.475 nan 8.270 nan 0.000 0.461 119 V N 0.230 120.107 119.914 -0.062 0.000 2.334 119 V HA 0.314 4.434 4.120 0.000 0.000 0.267 119 V C 1.310 177.385 176.094 -0.032 0.000 1.040 119 V CA 0.615 62.887 62.300 -0.047 0.000 0.866 119 V CB 1.011 32.819 31.823 -0.026 0.000 1.019 119 V HN 0.519 nan 8.190 nan 0.000 0.468 120 A N 4.792 127.593 122.820 -0.032 0.000 1.865 120 A HA -0.086 4.234 4.320 0.000 0.000 0.217 120 A C 1.044 178.619 177.584 -0.015 0.000 1.191 120 A CA 1.465 53.488 52.037 -0.023 0.000 0.623 120 A CB -0.198 18.789 19.000 -0.022 0.000 0.826 120 A HN 0.715 nan 8.150 nan 0.000 0.444 121 N N -0.274 118.419 118.700 -0.012 0.000 2.800 121 N HA 0.254 4.994 4.740 0.000 0.000 0.240 121 N C -2.393 173.117 175.510 0.000 0.000 1.096 121 N CA -1.488 51.559 53.050 -0.005 0.000 0.877 121 N CB 1.344 39.829 38.487 -0.004 0.000 1.138 121 N HN 0.228 nan 8.380 nan 0.000 0.509 122 P HA -0.140 nan 4.420 nan 0.000 0.217 122 P C 1.350 178.663 177.300 0.021 0.000 1.150 122 P CA 1.047 64.156 63.100 0.015 0.000 0.832 122 P CB 0.771 32.483 31.700 0.020 0.000 0.787 123 K N 0.402 120.813 120.400 0.019 0.000 2.025 123 K HA -0.110 4.210 4.320 0.000 0.000 0.207 123 K C 2.117 178.729 176.600 0.019 0.000 1.049 123 K CA 0.954 57.254 56.287 0.022 0.000 0.933 123 K CB -1.476 31.036 32.500 0.019 0.000 0.714 123 K HN -0.005 nan 8.250 nan 0.000 0.438 124 L N 0.394 121.624 121.223 0.013 0.000 2.046 124 L HA -0.011 4.329 4.340 0.000 0.000 0.208 124 L C 2.094 178.970 176.870 0.010 0.000 1.077 124 L CA 2.194 57.040 54.840 0.010 0.000 0.747 124 L CB -0.969 41.093 42.059 0.005 0.000 0.896 124 L HN 0.217 nan 8.230 nan 0.000 0.432 125 A N -0.951 121.875 122.820 0.009 0.000 1.877 125 A HA -0.302 4.018 4.320 0.000 0.000 0.216 125 A C 2.336 179.930 177.584 0.016 0.000 1.186 125 A CA 1.858 53.899 52.037 0.008 0.000 0.620 125 A CB -0.811 18.190 19.000 0.003 0.000 0.822 125 A HN 0.667 nan 8.150 nan 0.000 0.443 126 Q N -0.607 119.208 119.800 0.025 0.000 2.096 126 Q HA -0.261 4.079 4.340 0.000 0.000 0.204 126 Q C 2.005 178.026 176.000 0.036 0.000 0.982 126 Q CA 2.034 57.859 55.803 0.037 0.000 0.850 126 Q CB -0.149 28.617 28.738 0.047 0.000 0.901 126 Q HN 0.792 nan 8.270 nan 0.000 0.422 127 E N -0.110 120.107 120.200 0.028 0.000 2.047 127 E HA -0.167 4.183 4.350 0.000 0.000 0.191 127 E C 1.939 178.552 176.600 0.021 0.000 0.987 127 E CA 1.112 57.527 56.400 0.025 0.000 0.799 127 E CB 0.189 29.900 29.700 0.019 0.000 0.752 127 E HN 0.237 nan 8.360 nan 0.000 0.449 128 K N 0.177 120.587 120.400 0.017 0.000 2.026 128 K HA -0.140 4.180 4.320 0.000 0.000 0.208 128 K C 2.187 178.796 176.600 0.016 0.000 1.048 128 K CA 1.304 57.599 56.287 0.013 0.000 0.929 128 K CB -0.168 32.337 32.500 0.008 0.000 0.713 128 K HN 0.180 nan 8.250 nan 0.000 0.439 129 I N 0.983 121.564 120.570 0.018 0.000 2.226 129 I HA -0.268 3.902 4.170 0.000 0.000 0.245 129 I C 2.453 178.588 176.117 0.030 0.000 1.100 129 I CA 1.171 62.483 61.300 0.020 0.000 1.374 129 I CB -0.343 37.668 38.000 0.018 0.000 1.057 129 I HN 0.147 nan 8.210 nan 0.000 0.413 130 A N 0.448 123.290 122.820 0.037 0.000 2.015 130 A HA -0.160 4.160 4.320 0.000 0.000 0.219 130 A C 2.400 180.005 177.584 0.035 0.000 1.163 130 A CA 1.781 53.845 52.037 0.045 0.000 0.646 130 A CB -0.606 18.427 19.000 0.054 0.000 0.806 130 A HN 0.527 nan 8.150 nan 0.000 0.448 131 S N -1.503 114.213 115.700 0.027 0.000 2.527 131 S HA 0.095 4.565 4.470 0.000 0.000 0.222 131 S C 1.292 175.903 174.600 0.019 0.000 0.985 131 S CA 1.027 59.240 58.200 0.021 0.000 0.921 131 S CB -0.008 63.202 63.200 0.017 0.000 0.772 131 S HN 0.329 nan 8.310 nan 0.000 0.529 132 K N 1.653 122.065 120.400 0.020 0.000 2.440 132 K HA 0.362 4.682 4.320 0.000 0.000 0.206 132 K C 1.519 178.132 176.600 0.022 0.000 1.025 132 K CA -0.129 56.169 56.287 0.018 0.000 1.135 132 K CB 0.079 32.588 32.500 0.015 0.000 0.856 132 K HN 0.406 nan 8.250 nan 0.000 0.502 133 K N 0.313 120.730 120.400 0.028 0.000 2.020 133 K HA -0.198 4.122 4.320 0.000 0.000 0.212 133 K C 1.753 178.372 176.600 0.031 0.000 1.050 133 K CA 1.785 58.093 56.287 0.035 0.000 0.929 133 K CB -0.136 32.387 32.500 0.039 0.000 0.714 133 K HN 0.174 nan 8.250 nan 0.000 0.443 134 A N 0.915 123.750 122.820 0.025 0.000 1.933 134 A HA -0.168 4.152 4.320 0.000 0.000 0.218 134 A C 1.846 179.443 177.584 0.022 0.000 1.175 134 A CA 1.850 53.901 52.037 0.023 0.000 0.628 134 A CB -0.481 18.530 19.000 0.018 0.000 0.814 134 A HN 0.477 nan 8.150 nan 0.000 0.444 135 E N 0.107 120.319 120.200 0.019 0.000 2.072 135 E HA -0.094 4.256 4.350 0.000 0.000 0.191 135 E C 1.886 178.498 176.600 0.020 0.000 0.985 135 E CA 1.005 57.415 56.400 0.018 0.000 0.801 135 E CB -0.361 29.347 29.700 0.014 0.000 0.750 135 E HN 0.632 nan 8.360 nan 0.000 0.452 136 L N 0.012 121.248 121.223 0.022 0.000 2.056 136 L HA -0.149 4.191 4.340 0.000 0.000 0.207 136 L C 2.261 179.148 176.870 0.029 0.000 1.078 136 L CA 0.852 55.706 54.840 0.023 0.000 0.749 136 L CB -0.365 41.708 42.059 0.024 0.000 0.901 136 L HN 0.155 nan 8.230 nan 0.000 0.433 137 L N -0.470 120.773 121.223 0.034 0.000 2.083 137 L HA -0.219 4.121 4.340 0.000 0.000 0.209 137 L C 2.618 179.510 176.870 0.035 0.000 1.083 137 L CA 1.091 55.954 54.840 0.039 0.000 0.752 137 L CB -0.415 41.669 42.059 0.041 0.000 0.899 137 L HN 0.265 nan 8.230 nan 0.000 0.433 138 E N 0.580 120.798 120.200 0.030 0.000 2.110 138 E HA -0.235 4.116 4.350 0.000 0.000 0.193 138 E C 2.043 178.661 176.600 0.029 0.000 0.988 138 E CA 1.104 57.520 56.400 0.028 0.000 0.804 138 E CB -0.182 29.531 29.700 0.022 0.000 0.745 138 E HN 0.220 nan 8.360 nan 0.000 0.458 139 L N -0.049 121.191 121.223 0.027 0.000 2.093 139 L HA -0.013 4.327 4.340 0.000 0.000 0.208 139 L C 2.168 179.059 176.870 0.034 0.000 1.085 139 L CA 1.893 56.749 54.840 0.026 0.000 0.755 139 L CB -0.724 41.347 42.059 0.020 0.000 0.904 139 L HN 0.236 nan 8.230 nan 0.000 0.435 140 A N -0.838 122.004 122.820 0.037 0.000 1.898 140 A HA -0.168 4.152 4.320 0.000 0.000 0.216 140 A C 2.057 179.682 177.584 0.068 0.000 1.181 140 A CA 1.648 53.712 52.037 0.044 0.000 0.620 140 A CB -0.589 18.431 19.000 0.033 0.000 0.819 140 A HN 0.522 nan 8.150 nan 0.000 0.442 141 N N -0.181 118.556 118.700 0.063 0.000 2.270 141 N HA -0.112 4.628 4.740 0.000 0.000 0.181 141 N C 1.827 177.381 175.510 0.073 0.000 1.016 141 N CA 1.242 54.337 53.050 0.076 0.000 0.870 141 N CB -0.356 38.165 38.487 0.057 0.000 0.979 141 N HN 0.653 nan 8.380 nan 0.000 0.431 142 Q N 0.134 119.966 119.800 0.053 0.000 2.172 142 Q HA 0.104 4.444 4.340 0.000 0.000 0.200 142 Q C 1.827 177.853 176.000 0.045 0.000 0.964 142 Q CA 1.149 56.975 55.803 0.038 0.000 0.855 142 Q CB -0.015 28.739 28.738 0.026 0.000 0.918 142 Q HN 0.349 nan 8.270 nan 0.000 0.444 143 A N -0.495 122.367 122.820 0.069 0.000 2.119 143 A HA -0.115 4.205 4.320 0.000 0.000 0.217 143 A C 0.431 178.103 177.584 0.147 0.000 1.153 143 A CA 0.753 52.841 52.037 0.085 0.000 0.692 143 A CB 0.052 19.103 19.000 0.084 0.000 0.799 143 A HN 0.425 nan 8.150 nan 0.000 0.458 144 Y N -0.224 120.078 120.300 0.003 0.000 2.535 144 Y HA 0.302 4.853 4.550 0.000 0.000 0.351 144 Y C -2.114 173.788 175.900 0.003 0.000 1.050 144 Y CA -1.826 56.275 58.100 0.002 0.000 1.168 144 Y CB 1.504 39.966 38.460 0.002 0.000 1.116 144 Y HN 0.124 nan 8.280 nan 0.000 0.654 145 P HA -0.078 nan 4.420 nan 0.000 0.229 145 P C 1.159 178.415 177.300 -0.074 0.000 1.160 145 P CA 1.075 64.149 63.100 -0.044 0.000 0.777 145 P CB 0.477 32.145 31.700 -0.054 0.000 0.814 146 S N -0.015 115.554 115.700 -0.218 0.000 2.419 146 S HA -0.132 4.338 4.470 0.000 0.000 0.235 146 S C 1.803 176.404 174.600 0.002 0.000 1.019 146 S CA 0.913 59.012 58.200 -0.169 0.000 0.982 146 S CB -0.755 62.235 63.200 -0.349 0.000 0.789 146 S HN 0.134 nan 8.310 nan 0.000 0.490 147 I N 0.800 121.446 120.570 0.127 0.000 3.035 147 I HA 0.056 4.226 4.170 0.000 0.000 0.271 147 I C 1.762 177.935 176.117 0.095 0.000 1.190 147 I CA 0.444 61.845 61.300 0.168 0.000 1.472 147 I CB 0.064 38.222 38.000 0.263 0.000 1.116 147 I HN 0.026 nan 8.210 nan 0.000 0.443 148 V N 0.586 120.547 119.914 0.079 0.000 2.427 148 V HA -0.241 3.879 4.120 0.000 0.000 0.248 148 V C 2.350 178.463 176.094 0.031 0.000 1.051 148 V CA 1.702 64.032 62.300 0.050 0.000 1.048 148 V CB -0.945 30.904 31.823 0.043 0.000 0.666 148 V HN 0.334 nan 8.190 nan 0.000 0.456 149 K N 0.065 120.478 120.400 0.021 0.000 2.211 149 K HA -0.053 4.267 4.320 0.000 0.000 0.203 149 K C 2.043 178.652 176.600 0.015 0.000 1.050 149 K CA 0.982 57.275 56.287 0.011 0.000 0.945 149 K CB -0.134 32.365 32.500 -0.002 0.000 0.732 149 K HN 0.392 nan 8.250 nan 0.000 0.451 150 R N -0.443 120.071 120.500 0.024 0.000 2.334 150 R HA 0.061 4.401 4.340 0.000 0.000 0.220 150 R C 0.665 176.981 176.300 0.026 0.000 0.917 150 R CA 0.460 56.575 56.100 0.025 0.000 1.073 150 R CB 0.658 30.977 30.300 0.032 0.000 1.056 150 R HN 0.352 nan 8.270 nan 0.000 0.506 151 G N -0.127 108.689 108.800 0.027 0.000 2.157 151 G HA2 -0.232 3.729 3.960 0.000 0.000 0.239 151 G HA3 -0.232 3.729 3.960 0.000 0.000 0.239 151 G C 0.325 175.242 174.900 0.029 0.000 0.982 151 G CA -0.161 44.954 45.100 0.025 0.000 0.650 151 G HN 0.551 nan 8.290 nan 0.000 0.527 152 G N -1.232 107.591 108.800 0.038 0.000 2.828 152 G HA2 1.022 4.982 3.960 0.000 0.000 0.244 152 G HA3 1.022 4.982 3.960 0.000 0.000 0.244 152 G C 0.510 175.440 174.900 0.049 0.000 1.365 152 G CA 0.477 45.601 45.100 0.041 0.000 1.041 152 G HN 1.920 nan 8.290 nan 0.000 0.560 153 G N -2.562 106.268 108.800 0.049 0.000 2.359 153 G HA2 0.506 4.466 3.960 0.000 0.000 0.303 153 G HA3 0.506 4.466 3.960 0.000 0.000 0.303 153 G C -0.399 174.527 174.900 0.044 0.000 1.293 153 G CA 0.052 45.184 45.100 0.054 0.000 0.964 153 G HN 1.769 nan 8.290 nan 0.000 0.531 154 A N -0.167 122.681 122.820 0.047 0.000 2.454 154 A HA 0.660 4.980 4.320 0.000 0.000 0.260 154 A C 1.241 178.859 177.584 0.058 0.000 1.106 154 A CA 0.444 52.513 52.037 0.053 0.000 0.780 154 A CB 0.338 19.368 19.000 0.050 0.000 1.044 154 A HN 0.667 nan 8.150 nan 0.000 0.498 155 R N 0.539 121.083 120.500 0.073 0.000 2.342 155 R HA 0.193 4.533 4.340 0.000 0.000 0.204 155 R C -0.703 175.626 176.300 0.048 0.000 0.882 155 R CA 0.276 56.409 56.100 0.056 0.000 1.041 155 R CB 0.516 30.847 30.300 0.052 0.000 1.188 155 R HN 0.828 nan 8.270 nan 0.000 0.598 156 D N -0.594 119.856 120.400 0.083 0.000 2.622 156 D HA 0.423 5.063 4.640 0.000 0.000 0.255 156 D C -1.780 174.620 176.300 0.166 0.000 1.246 156 D CA -0.475 53.556 54.000 0.051 0.000 0.795 156 D CB 1.984 42.720 40.800 -0.107 0.000 1.369 156 D HN -0.113 nan 8.370 nan 0.000 0.425 157 L N 2.264 123.580 121.223 0.155 0.000 2.482 157 L HA 0.656 4.996 4.340 0.000 0.000 0.263 157 L C -1.608 175.419 176.870 0.261 0.000 0.957 157 L CA -0.464 54.509 54.840 0.222 0.000 0.836 157 L CB 1.734 43.870 42.059 0.128 0.000 1.324 157 L HN 0.750 nan 8.230 nan 0.000 0.406 158 H N 2.321 121.512 119.070 0.201 0.000 2.985 158 H HA 0.854 5.410 4.556 0.000 0.000 0.360 158 H C -1.877 173.600 175.328 0.247 0.000 1.221 158 H CA -1.078 55.075 56.048 0.174 0.000 1.121 158 H CB 1.959 31.797 29.762 0.127 0.000 1.854 158 H HN 0.279 nan 8.280 nan 0.000 0.551 159 V N 1.694 121.712 119.914 0.174 0.000 2.656 159 V HA 0.379 4.499 4.120 0.000 0.000 0.307 159 V C -0.668 175.543 176.094 0.195 0.000 1.051 159 V CA -0.813 61.557 62.300 0.117 0.000 0.893 159 V CB 1.559 33.430 31.823 0.080 0.000 0.999 159 V HN 0.813 nan 8.190 nan 0.000 0.426 160 E N 2.744 123.070 120.200 0.209 0.000 2.248 160 E HA 0.421 4.771 4.350 0.000 0.000 0.267 160 E C -1.125 175.572 176.600 0.163 0.000 0.877 160 E CA -0.741 55.794 56.400 0.226 0.000 0.759 160 E CB 2.739 32.637 29.700 0.329 0.000 1.182 160 E HN 0.650 nan 8.360 nan 0.000 0.418 161 Q N 1.973 121.854 119.800 0.134 0.000 2.314 161 Q HA 0.396 4.736 4.340 0.000 0.000 0.257 161 Q C -0.180 175.898 176.000 0.130 0.000 0.975 161 Q CA 0.063 55.935 55.803 0.115 0.000 0.933 161 Q CB 0.788 29.576 28.738 0.084 0.000 1.195 161 Q HN 0.357 nan 8.270 nan 0.000 0.426 162 I N 3.883 124.547 120.570 0.157 0.000 2.354 162 I HA 0.225 4.395 4.170 0.000 0.000 0.286 162 I C 0.059 176.271 176.117 0.159 0.000 1.007 162 I CA -0.836 60.563 61.300 0.165 0.000 1.167 162 I CB 0.793 38.909 38.000 0.193 0.000 1.320 162 I HN 0.297 nan 8.210 nan 0.000 0.458 163 K N 4.430 124.896 120.400 0.111 0.000 2.219 163 K HA 0.703 5.023 4.320 0.000 0.000 0.258 163 K C 0.446 177.101 176.600 0.092 0.000 1.008 163 K CA -0.132 56.203 56.287 0.080 0.000 0.928 163 K CB 1.389 33.922 32.500 0.056 0.000 0.983 163 K HN 0.909 nan 8.250 nan 0.000 0.484 164 G N 0.700 109.535 108.800 0.058 0.000 2.398 164 G HA2 0.007 3.967 3.960 0.000 0.000 0.251 164 G HA3 0.007 3.967 3.960 0.000 0.000 0.251 164 G C -1.637 173.271 174.900 0.013 0.000 1.277 164 G CA -0.749 44.387 45.100 0.059 0.000 0.927 164 G HN 0.415 nan 8.290 nan 0.000 0.477 165 E N 1.784 121.996 120.200 0.020 0.000 2.593 165 E HA 0.418 4.768 4.350 0.000 0.000 0.232 165 E C -1.899 174.670 176.600 -0.052 0.000 1.026 165 E CA -1.305 55.081 56.400 -0.022 0.000 0.772 165 E CB 1.881 31.579 29.700 -0.003 0.000 1.310 165 E HN 0.425 nan 8.360 nan 0.000 0.413 166 P HA 0.331 nan 4.420 nan 0.000 0.332 166 P C -0.563 176.548 177.300 -0.314 0.000 1.298 166 P CA -0.626 62.330 63.100 -0.240 0.000 0.755 166 P CB 0.770 32.302 31.700 -0.280 0.000 1.465 167 D N -0.752 119.495 120.400 -0.254 0.000 2.345 167 D HA 0.337 4.977 4.640 0.000 0.000 0.247 167 D C -0.635 175.466 176.300 -0.331 0.000 1.108 167 D CA 0.460 54.359 54.000 -0.168 0.000 0.894 167 D CB 0.076 40.838 40.800 -0.063 0.000 1.203 167 D HN 0.108 nan 8.370 nan 0.000 0.430 168 F N 0.902 120.880 119.950 0.047 0.000 2.508 168 F HA 0.370 4.897 4.527 0.000 0.000 0.325 168 F C -0.039 175.784 175.800 0.039 0.000 1.090 168 F CA -1.118 56.913 58.000 0.052 0.000 0.945 168 F CB 1.344 40.365 39.000 0.034 0.000 1.156 168 F HN 0.045 nan 8.300 nan 0.000 0.463 169 L N 4.118 125.474 121.223 0.221 0.000 2.276 169 L HA 0.672 5.012 4.340 0.000 0.000 0.286 169 L C -1.126 175.786 176.870 0.070 0.000 1.024 169 L CA -0.440 54.471 54.840 0.120 0.000 0.826 169 L CB 0.985 43.084 42.059 0.067 0.000 1.211 169 L HN 0.356 nan 8.230 nan 0.000 0.422 170 V N 5.740 125.657 119.914 0.004 0.000 2.417 170 V HA 0.496 4.616 4.120 0.000 0.000 0.291 170 V C -0.224 175.669 176.094 -0.335 0.000 1.024 170 V CA -0.790 61.383 62.300 -0.211 0.000 0.861 170 V CB 1.729 33.356 31.823 -0.327 0.000 0.985 170 V HN 0.428 nan 8.190 nan 0.000 0.436 171 V N 5.511 125.199 119.914 -0.378 0.000 2.394 171 V HA 0.458 4.578 4.120 0.000 0.000 0.282 171 V C -0.910 174.905 176.094 -0.465 0.000 1.031 171 V CA -0.597 61.529 62.300 -0.290 0.000 0.881 171 V CB 1.167 32.911 31.823 -0.131 0.000 0.982 171 V HN 0.747 nan 8.190 nan 0.000 0.451 172 Y N 5.135 125.296 120.300 -0.231 0.000 2.352 172 Y HA 0.683 5.233 4.550 0.000 0.000 0.339 172 Y C 0.346 176.216 175.900 -0.051 0.000 0.992 172 Y CA -0.890 57.084 58.100 -0.211 0.000 1.100 172 Y CB 1.521 39.765 38.460 -0.360 0.000 1.192 172 Y HN 0.630 nan 8.280 nan 0.000 0.458 173 I N 0.169 120.789 120.570 0.083 0.000 2.525 173 I HA 0.573 4.743 4.170 0.000 0.000 0.301 173 I C -0.777 175.370 176.117 0.049 0.000 0.992 173 I CA -0.745 60.638 61.300 0.138 0.000 1.162 173 I CB 1.789 39.827 38.000 0.064 0.000 1.332 173 I HN 0.529 nan 8.210 nan 0.000 0.458 174 H N 4.845 123.963 119.070 0.081 0.000 2.505 174 H HA 0.618 5.174 4.556 0.000 0.000 0.338 174 H C -1.114 174.232 175.328 0.030 0.000 1.057 174 H CA -0.808 55.276 56.048 0.059 0.000 1.202 174 H CB 2.490 32.290 29.762 0.064 0.000 1.466 174 H HN 0.440 nan 8.280 nan 0.000 0.499 175 V N 2.952 122.918 119.914 0.087 0.000 2.525 175 V HA -0.009 4.111 4.120 0.000 0.000 0.299 175 V C -0.089 176.021 176.094 0.026 0.000 1.034 175 V CA -0.938 61.387 62.300 0.042 0.000 0.863 175 V CB 2.169 33.989 31.823 -0.005 0.000 0.999 175 V HN 0.720 nan 8.190 nan 0.000 0.423 176 D N 3.491 123.910 120.400 0.031 0.000 2.346 176 D HA 0.126 4.766 4.640 0.000 0.000 0.260 176 D C 1.131 177.438 176.300 0.012 0.000 1.252 176 D CA 0.332 54.345 54.000 0.022 0.000 0.895 176 D CB 1.569 42.385 40.800 0.027 0.000 1.097 176 D HN 0.775 nan 8.370 nan 0.000 0.489 177 T N 0.716 115.270 114.554 -0.000 0.000 3.134 177 T HA 0.069 4.419 4.350 0.000 0.000 0.260 177 T C 1.019 175.725 174.700 0.009 0.000 1.027 177 T CA -0.398 61.697 62.100 -0.009 0.000 0.913 177 T CB 0.250 69.096 68.868 -0.037 0.000 1.046 177 T HN 0.408 nan 8.240 nan 0.000 0.553 178 Q N 1.141 120.949 119.800 0.014 0.000 2.049 178 Q HA -0.231 4.109 4.340 0.000 0.000 0.409 178 Q C 0.795 176.801 176.000 0.011 0.000 0.726 178 Q CA 2.089 57.901 55.803 0.016 0.000 0.896 178 Q CB -1.435 27.318 28.738 0.025 0.000 3.134 178 Q HN 0.533 nan 8.270 nan 0.000 0.836 179 E N 1.005 121.213 120.200 0.013 0.000 2.502 179 E HA 0.302 4.652 4.350 0.000 0.000 0.194 179 E C 0.290 176.894 176.600 0.005 0.000 1.062 179 E CA 0.727 57.132 56.400 0.009 0.000 0.867 179 E CB 0.163 29.867 29.700 0.006 0.000 0.888 179 E HN 0.411 nan 8.360 nan 0.000 0.510 180 A N 0.916 123.739 122.820 0.006 0.000 2.295 180 A HA 0.399 4.720 4.320 0.000 0.000 0.318 180 A C 1.175 178.753 177.584 -0.010 0.000 1.134 180 A CA -0.480 51.558 52.037 0.001 0.000 0.827 180 A CB 0.898 19.904 19.000 0.010 0.000 1.136 180 A HN 0.147 nan 8.150 nan 0.000 0.493 181 M N 1.742 121.335 119.600 -0.013 0.000 2.080 181 M HA 0.027 4.507 4.480 0.000 0.000 0.260 181 M C 1.320 177.597 176.300 -0.039 0.000 1.068 181 M CA 2.921 58.208 55.300 -0.021 0.000 1.109 181 M CB -0.193 32.396 32.600 -0.019 0.000 1.342 181 M HN 1.622 nan 8.290 nan 0.000 0.405 182 G N -1.428 107.339 108.800 -0.055 0.000 2.179 182 G HA2 -0.224 3.736 3.960 0.000 0.000 0.220 182 G HA3 -0.224 3.736 3.960 0.000 0.000 0.220 182 G C 0.868 175.704 174.900 -0.107 0.000 0.990 182 G CA 0.716 45.759 45.100 -0.095 0.000 0.646 182 G HN 0.783 nan 8.290 nan 0.000 0.517 183 A N 0.677 123.451 122.820 -0.077 0.000 1.902 183 A HA -0.015 4.305 4.320 0.000 0.000 0.217 183 A C 2.202 179.737 177.584 -0.081 0.000 1.181 183 A CA 2.273 54.267 52.037 -0.071 0.000 0.623 183 A CB -0.418 18.549 19.000 -0.055 0.000 0.818 183 A HN 0.455 nan 8.150 nan 0.000 0.443 184 N N -0.562 118.093 118.700 -0.075 0.000 2.142 184 N HA -0.138 4.602 4.740 0.000 0.000 0.186 184 N C 1.762 177.190 175.510 -0.137 0.000 1.023 184 N CA 1.655 54.668 53.050 -0.061 0.000 0.852 184 N CB -0.529 37.954 38.487 -0.007 0.000 0.998 184 N HN 0.662 nan 8.380 nan 0.000 0.424 185 M N 0.169 119.595 119.600 -0.290 0.000 2.065 185 M HA -0.131 4.349 4.480 0.000 0.000 0.259 185 M C 1.406 177.463 176.300 -0.405 0.000 1.069 185 M CA 1.486 56.376 55.300 -0.683 0.000 1.110 185 M CB -0.016 32.114 32.600 -0.782 0.000 1.328 185 M HN -0.012 nan 8.290 nan 0.000 0.405 186 L N 0.782 121.861 121.223 -0.239 0.000 2.217 186 L HA -0.129 4.211 4.340 0.000 0.000 0.211 186 L C 2.105 178.914 176.870 -0.101 0.000 1.107 186 L CA 1.558 56.310 54.840 -0.147 0.000 0.783 186 L CB -1.101 40.893 42.059 -0.108 0.000 0.919 186 L HN 0.463 nan 8.230 nan 0.000 0.442 187 N N -1.160 117.486 118.700 -0.090 0.000 2.084 187 N HA -0.183 4.557 4.740 0.000 0.000 0.190 187 N C 1.678 177.167 175.510 -0.035 0.000 1.030 187 N CA 1.971 54.989 53.050 -0.054 0.000 0.849 187 N CB 0.005 38.468 38.487 -0.041 0.000 1.012 187 N HN 0.245 nan 8.380 nan 0.000 0.423 188 T N 0.338 114.873 114.554 -0.031 0.000 2.737 188 T HA -0.081 4.269 4.350 0.000 0.000 0.265 188 T C 1.956 176.668 174.700 0.021 0.000 1.038 188 T CA 1.294 63.408 62.100 0.023 0.000 1.144 188 T CB -0.241 68.695 68.868 0.113 0.000 0.866 188 T HN 0.233 nan 8.240 nan 0.000 0.434 189 M N 0.522 120.112 119.600 -0.016 0.000 2.108 189 M HA -0.031 4.449 4.480 0.000 0.000 0.261 189 M C 2.169 178.465 176.300 -0.007 0.000 1.066 189 M CA 1.609 56.907 55.300 -0.003 0.000 1.107 189 M CB -0.581 31.997 32.600 -0.036 0.000 1.356 189 M HN 0.193 nan 8.290 nan 0.000 0.406 190 L N -0.804 120.404 121.223 -0.024 0.000 2.217 190 L HA -0.146 4.194 4.340 0.000 0.000 0.211 190 L C 2.355 179.216 176.870 -0.016 0.000 1.107 190 L CA 0.703 55.527 54.840 -0.026 0.000 0.783 190 L CB -0.456 41.578 42.059 -0.043 0.000 0.919 190 L HN 0.229 nan 8.230 nan 0.000 0.442 191 E N 0.785 120.980 120.200 -0.009 0.000 2.072 191 E HA -0.177 4.173 4.350 0.000 0.000 0.191 191 E C 2.181 178.783 176.600 0.004 0.000 0.985 191 E CA 1.339 57.738 56.400 -0.001 0.000 0.801 191 E CB -0.067 29.636 29.700 0.005 0.000 0.750 191 E HN 0.347 nan 8.360 nan 0.000 0.452 192 A N 0.085 122.912 122.820 0.011 0.000 2.019 192 A HA -0.112 4.208 4.320 0.000 0.000 0.219 192 A C 2.097 179.686 177.584 0.008 0.000 1.164 192 A CA 1.229 53.274 52.037 0.014 0.000 0.644 192 A CB -0.465 18.551 19.000 0.026 0.000 0.805 192 A HN 0.343 nan 8.150 nan 0.000 0.449 193 L N -1.603 119.621 121.223 0.002 0.000 2.416 193 L HA -0.009 4.331 4.340 0.000 0.000 0.216 193 L C 2.290 179.155 176.870 -0.009 0.000 1.098 193 L CA 0.482 55.320 54.840 -0.003 0.000 0.840 193 L CB -0.268 41.787 42.059 -0.006 0.000 0.981 193 L HN 0.283 nan 8.230 nan 0.000 0.462 194 K N 0.631 121.025 120.400 -0.010 0.000 2.015 194 K HA -0.213 4.107 4.320 0.000 0.000 0.216 194 K C -0.413 176.178 176.600 -0.015 0.000 1.052 194 K CA 1.958 58.237 56.287 -0.013 0.000 0.937 194 K CB -1.263 31.232 32.500 -0.009 0.000 0.719 194 K HN 0.217 nan 8.250 nan 0.000 0.446 195 P HA -0.169 nan 4.420 nan 0.000 0.214 195 P C 1.468 178.759 177.300 -0.014 0.000 1.163 195 P CA 1.200 64.293 63.100 -0.013 0.000 0.889 195 P CB 0.011 31.706 31.700 -0.008 0.000 0.790 196 V N -0.698 119.210 119.914 -0.010 0.000 2.407 196 V HA -0.220 3.900 4.120 0.000 0.000 0.248 196 V C 2.490 178.577 176.094 -0.012 0.000 1.055 196 V CA 1.585 63.880 62.300 -0.008 0.000 1.049 196 V CB -1.336 30.485 31.823 -0.003 0.000 0.662 196 V HN 0.070 nan 8.190 nan 0.000 0.455 197 L N -0.382 120.832 121.223 -0.015 0.000 2.083 197 L HA -0.185 4.155 4.340 0.000 0.000 0.209 197 L C 2.617 179.470 176.870 -0.027 0.000 1.083 197 L CA 1.629 56.458 54.840 -0.019 0.000 0.752 197 L CB -0.557 41.488 42.059 -0.023 0.000 0.899 197 L HN 0.400 nan 8.230 nan 0.000 0.433 198 E N -0.204 119.976 120.200 -0.034 0.000 2.028 198 E HA -0.270 4.080 4.350 0.000 0.000 0.191 198 E C 2.006 178.581 176.600 -0.042 0.000 0.988 198 E CA 1.240 57.610 56.400 -0.049 0.000 0.799 198 E CB -0.013 29.654 29.700 -0.054 0.000 0.755 198 E HN 0.322 nan 8.360 nan 0.000 0.447 199 E N 1.394 121.576 120.200 -0.030 0.000 2.049 199 E HA -0.200 4.150 4.350 0.000 0.000 0.198 199 E C 1.962 178.549 176.600 -0.021 0.000 1.007 199 E CA 1.335 57.721 56.400 -0.024 0.000 0.809 199 E CB -0.343 29.347 29.700 -0.017 0.000 0.749 199 E HN 0.205 nan 8.360 nan 0.000 0.450 200 L N 0.297 121.510 121.223 -0.017 0.000 2.141 200 L HA -0.097 4.243 4.340 0.000 0.000 0.209 200 L C 2.462 179.324 176.870 -0.014 0.000 1.094 200 L CA 1.396 56.229 54.840 -0.012 0.000 0.763 200 L CB -0.417 41.639 42.059 -0.006 0.000 0.908 200 L HN 0.241 nan 8.230 nan 0.000 0.437 201 S N -2.524 113.163 115.700 -0.022 0.000 2.503 201 S HA -0.029 4.441 4.470 0.000 0.000 0.217 201 S C 0.941 175.521 174.600 -0.035 0.000 0.999 201 S CA -0.294 57.892 58.200 -0.024 0.000 0.914 201 S CB 0.213 63.397 63.200 -0.027 0.000 0.782 201 S HN 0.368 nan 8.310 nan 0.000 0.520 202 Q N 0.561 120.337 119.800 -0.041 0.000 2.468 202 Q HA -0.117 4.223 4.340 0.000 0.000 0.289 202 Q C 0.230 176.185 176.000 -0.075 0.000 1.299 202 Q CA 1.045 56.819 55.803 -0.049 0.000 0.838 202 Q CB -2.096 26.620 28.738 -0.037 0.000 1.195 202 Q HN 0.814 nan 8.270 nan 0.000 0.456 203 G N -0.762 107.980 108.800 -0.098 0.000 2.818 203 G HA2 0.624 4.584 3.960 0.000 0.000 0.286 203 G HA3 0.624 4.584 3.960 0.000 0.000 0.286 203 G C -0.853 173.912 174.900 -0.226 0.000 1.364 203 G CA -0.580 44.422 45.100 -0.163 0.000 0.938 203 G HN -0.018 nan 8.290 nan 0.000 0.490 204 Q N 0.332 119.874 119.800 -0.430 0.000 2.271 204 Q HA 0.402 4.742 4.340 0.000 0.000 0.258 204 Q C -0.055 175.707 176.000 -0.397 0.000 0.936 204 Q CA -0.386 55.119 55.803 -0.497 0.000 0.909 204 Q CB 1.780 30.035 28.738 -0.805 0.000 1.253 204 Q HN 0.543 nan 8.270 nan 0.000 0.440 205 S N 2.671 118.296 115.700 -0.125 0.000 2.505 205 S HA 0.097 4.567 4.470 0.000 0.000 0.276 205 S C 0.826 175.536 174.600 0.183 0.000 1.274 205 S CA -0.495 57.721 58.200 0.027 0.000 1.053 205 S CB 0.388 63.592 63.200 0.007 0.000 0.919 205 S HN 0.604 nan 8.310 nan 0.000 0.490 206 L N 5.074 126.488 121.223 0.318 0.000 2.102 206 L HA 0.463 4.803 4.340 0.000 0.000 0.202 206 L C 0.521 177.459 176.870 0.113 0.000 1.076 206 L CA 1.552 56.578 54.840 0.309 0.000 0.761 206 L CB -0.467 41.747 42.059 0.258 0.000 0.921 206 L HN 0.949 nan 8.230 nan 0.000 0.444 207 M N -2.895 116.738 119.600 0.055 0.000 2.605 207 M HA 0.588 5.068 4.480 0.000 0.000 0.281 207 M C -0.822 175.462 176.300 -0.027 0.000 1.166 207 M CA -0.397 54.904 55.300 0.001 0.000 0.875 207 M CB 1.226 33.809 32.600 -0.027 0.000 1.732 207 M HN -0.126 nan 8.290 nan 0.000 0.504 208 G N 1.993 110.773 108.800 -0.034 0.000 2.644 208 G HA2 0.738 4.698 3.960 0.000 0.000 0.300 208 G HA3 0.738 4.698 3.960 0.000 0.000 0.300 208 G C -2.099 172.769 174.900 -0.053 0.000 1.395 208 G CA -0.589 44.481 45.100 -0.050 0.000 0.964 208 G HN 0.906 nan 8.290 nan 0.000 0.511 209 I N 2.223 122.755 120.570 -0.065 0.000 2.722 209 I HA 0.473 4.643 4.170 0.000 0.000 0.292 209 I C -0.631 175.453 176.117 -0.054 0.000 1.267 209 I CA -0.969 60.296 61.300 -0.057 0.000 1.036 209 I CB 2.131 40.097 38.000 -0.055 0.000 1.281 209 I HN 0.530 nan 8.210 nan 0.000 0.423 210 L N 5.521 126.715 121.223 -0.050 0.000 2.573 210 L HA 0.238 4.578 4.340 0.000 0.000 0.290 210 L C 0.026 176.884 176.870 -0.019 0.000 1.247 210 L CA 1.096 55.911 54.840 -0.040 0.000 0.876 210 L CB 0.557 42.589 42.059 -0.045 0.000 1.123 210 L HN 0.735 nan 8.230 nan 0.000 0.505 211 S N 3.057 118.759 115.700 0.003 0.000 2.442 211 S HA 0.366 4.836 4.470 0.000 0.000 0.297 211 S C 0.717 175.346 174.600 0.049 0.000 1.131 211 S CA -0.543 57.684 58.200 0.045 0.000 1.092 211 S CB 0.418 63.678 63.200 0.100 0.000 0.998 211 S HN 0.838 nan 8.310 nan 0.000 0.478 212 N N 2.652 121.389 118.700 0.062 0.000 2.521 212 N HA 0.017 4.757 4.740 0.000 0.000 0.188 212 N C -0.679 174.928 175.510 0.162 0.000 1.146 212 N CA 0.192 53.285 53.050 0.072 0.000 0.893 212 N CB 0.026 38.538 38.487 0.042 0.000 0.975 212 N HN 0.587 nan 8.380 nan 0.000 0.451 213 Y N 1.876 122.187 120.300 0.019 0.000 2.714 213 Y HA 0.422 4.972 4.550 0.000 0.000 0.333 213 Y C -0.079 175.833 175.900 0.019 0.000 1.220 213 Y CA -2.009 56.114 58.100 0.039 0.000 1.513 213 Y CB -0.553 37.942 38.460 0.058 0.000 1.435 213 Y HN -0.064 nan 8.280 nan 0.000 0.489 214 A N 3.449 126.236 122.820 -0.054 0.000 3.091 214 A HA 0.175 4.495 4.320 0.000 0.000 0.264 214 A C 1.421 178.868 177.584 -0.229 0.000 1.673 214 A CA 0.227 52.190 52.037 -0.124 0.000 1.362 214 A CB -1.077 17.884 19.000 -0.065 0.000 1.137 214 A HN 0.738 nan 8.150 nan 0.000 0.617 215 T N -2.856 111.498 114.554 -0.334 0.000 3.072 215 T HA -0.066 4.284 4.350 0.000 0.000 0.266 215 T C 0.491 175.098 174.700 -0.154 0.000 1.127 215 T CA 1.375 63.292 62.100 -0.305 0.000 1.107 215 T CB -0.184 68.474 68.868 -0.349 0.000 0.910 215 T HN 0.346 nan 8.240 nan 0.000 0.513 216 D N 1.639 121.980 120.400 -0.098 0.000 2.336 216 D HA 0.150 4.790 4.640 0.000 0.000 0.228 216 D C 0.904 177.186 176.300 -0.031 0.000 1.120 216 D CA 0.191 54.179 54.000 -0.020 0.000 0.839 216 D CB 0.084 40.918 40.800 0.057 0.000 0.932 216 D HN 0.606 nan 8.370 nan 0.000 0.509 217 S N -0.621 115.034 115.700 -0.074 0.000 2.941 217 S HA 0.226 4.696 4.470 0.000 0.000 0.248 217 S C 0.004 174.550 174.600 -0.090 0.000 0.962 217 S CA -0.650 57.512 58.200 -0.064 0.000 1.092 217 S CB -0.580 62.583 63.200 -0.062 0.000 1.113 217 S HN -0.028 nan 8.310 nan 0.000 0.512 218 L N 1.658 122.830 121.223 -0.085 0.000 2.426 218 L HA 0.602 4.942 4.340 0.000 0.000 0.271 218 L C -0.443 176.482 176.870 0.093 0.000 1.169 218 L CA -0.485 54.302 54.840 -0.088 0.000 0.836 218 L CB 1.145 43.117 42.059 -0.144 0.000 1.112 218 L HN 0.182 nan 8.230 nan 0.000 0.465 219 V N 1.529 121.457 119.914 0.024 0.000 2.733 219 V HA 0.421 4.541 4.120 0.000 0.000 0.306 219 V C -0.282 175.807 176.094 -0.008 0.000 1.084 219 V CA -0.544 61.737 62.300 -0.032 0.000 0.905 219 V CB 2.274 34.039 31.823 -0.097 0.000 1.010 219 V HN 0.790 nan 8.190 nan 0.000 0.424 220 T N 3.470 118.008 114.554 -0.027 0.000 2.829 220 T HA 0.820 5.170 4.350 0.000 0.000 0.280 220 T C -0.226 174.445 174.700 -0.047 0.000 0.999 220 T CA -0.343 61.770 62.100 0.022 0.000 0.983 220 T CB 1.818 70.783 68.868 0.162 0.000 0.968 220 T HN 1.014 nan 8.240 nan 0.000 0.446 221 A N 2.260 125.053 122.820 -0.045 0.000 2.365 221 A HA 0.889 5.209 4.320 0.000 0.000 0.318 221 A C -0.110 177.486 177.584 0.021 0.000 1.091 221 A CA -0.778 51.242 52.037 -0.028 0.000 0.763 221 A CB 1.236 20.163 19.000 -0.122 0.000 1.248 221 A HN 0.920 nan 8.150 nan 0.000 0.442 222 S N -0.328 115.422 115.700 0.084 0.000 2.599 222 S HA 0.804 5.274 4.470 0.000 0.000 0.287 222 S C -0.340 174.311 174.600 0.085 0.000 1.105 222 S CA -0.264 57.961 58.200 0.042 0.000 0.899 222 S CB 0.913 64.104 63.200 -0.016 0.000 1.100 222 S HN 2.030 nan 8.310 nan 0.000 0.482 223 C N 0.317 119.589 119.300 -0.047 0.000 2.898 223 C HA 0.898 5.358 4.460 0.000 0.000 0.304 223 C C -0.651 174.284 174.990 -0.093 0.000 1.237 223 C CA -0.871 58.049 59.018 -0.163 0.000 1.529 223 C CB 1.097 28.611 27.740 -0.376 0.000 2.021 223 C HN 1.198 nan 8.230 nan 0.000 0.474 224 R N 1.849 122.296 120.500 -0.088 0.000 2.467 224 R HA 0.701 5.041 4.340 0.000 0.000 0.299 224 R C -1.685 174.618 176.300 0.005 0.000 1.120 224 R CA -0.444 55.647 56.100 -0.016 0.000 0.940 224 R CB 0.571 30.857 30.300 -0.023 0.000 1.161 224 R HN 0.894 nan 8.270 nan 0.000 0.506 225 I N 3.996 124.613 120.570 0.078 0.000 2.354 225 I HA 0.372 4.542 4.170 0.000 0.000 0.286 225 I C 0.489 176.724 176.117 0.197 0.000 1.007 225 I CA -0.753 60.624 61.300 0.127 0.000 1.167 225 I CB 1.847 39.898 38.000 0.084 0.000 1.320 225 I HN 0.619 nan 8.210 nan 0.000 0.458 226 A N 5.472 128.413 122.820 0.202 0.000 2.462 226 A HA 0.241 4.561 4.320 0.000 0.000 0.243 226 A C 0.809 178.472 177.584 0.132 0.000 1.076 226 A CA -0.051 51.994 52.037 0.014 0.000 0.773 226 A CB 0.025 18.938 19.000 -0.145 0.000 1.010 226 A HN 0.648 nan 8.150 nan 0.000 0.493 227 F N 1.290 121.225 119.950 -0.025 0.000 2.192 227 F HA -0.209 4.318 4.527 0.000 0.000 0.301 227 F C 2.499 178.268 175.800 -0.052 0.000 1.079 227 F CA 1.996 59.990 58.000 -0.008 0.000 1.303 227 F CB -0.741 38.255 39.000 -0.005 0.000 1.024 227 F HN 0.832 nan 8.300 nan 0.000 0.494 228 R N -0.901 119.598 120.500 -0.003 0.000 2.237 228 R HA -0.171 4.169 4.340 0.000 0.000 0.219 228 R C 1.353 177.575 176.300 -0.131 0.000 1.080 228 R CA 1.397 57.417 56.100 -0.133 0.000 0.995 228 R CB -1.010 29.121 30.300 -0.283 0.000 0.875 228 R HN 0.197 nan 8.270 nan 0.000 0.462 229 Y N 0.825 121.171 120.300 0.078 0.000 2.517 229 Y HA 0.193 4.744 4.550 0.000 0.000 0.281 229 Y C 1.865 177.808 175.900 0.073 0.000 1.125 229 Y CA -0.029 58.097 58.100 0.043 0.000 1.283 229 Y CB 0.074 38.534 38.460 -0.001 0.000 1.042 229 Y HN -0.043 nan 8.280 nan 0.000 0.547 230 L N -1.701 119.665 121.223 0.238 0.000 2.209 230 L HA 0.068 4.409 4.340 0.000 0.000 0.207 230 L C 0.646 177.600 176.870 0.140 0.000 1.094 230 L CA 0.863 55.828 54.840 0.209 0.000 0.790 230 L CB 0.099 42.269 42.059 0.186 0.000 0.932 230 L HN 0.014 nan 8.230 nan 0.000 0.447 231 S N -1.649 114.115 115.700 0.106 0.000 2.570 231 S HA 0.285 4.755 4.470 0.000 0.000 0.286 231 S C 0.273 174.906 174.600 0.055 0.000 1.143 231 S CA -0.773 57.472 58.200 0.074 0.000 0.921 231 S CB 1.157 64.384 63.200 0.044 0.000 1.108 231 S HN -0.033 nan 8.310 nan 0.000 0.456 232 R N 2.002 122.532 120.500 0.050 0.000 2.148 232 R HA 0.097 4.437 4.340 0.000 0.000 0.223 232 R C 0.555 176.869 176.300 0.024 0.000 1.088 232 R CA 0.726 56.845 56.100 0.032 0.000 0.985 232 R CB -0.396 29.925 30.300 0.036 0.000 0.880 232 R HN 0.704 nan 8.270 nan 0.000 0.451 233 Q N 1.135 120.949 119.800 0.024 0.000 2.432 233 Q HA 0.015 4.355 4.340 0.000 0.000 0.264 233 Q C 0.020 176.029 176.000 0.015 0.000 1.035 233 Q CA 0.351 56.164 55.803 0.017 0.000 0.908 233 Q CB 0.571 29.317 28.738 0.013 0.000 1.280 233 Q HN -0.074 nan 8.270 nan 0.000 0.455 234 K N 1.770 122.177 120.400 0.012 0.000 2.416 234 K HA -0.102 4.218 4.320 0.000 0.000 0.283 234 K C -0.577 176.030 176.600 0.012 0.000 1.037 234 K CA 0.183 56.478 56.287 0.015 0.000 0.995 234 K CB 0.327 32.834 32.500 0.012 0.000 0.938 234 K HN 0.553 nan 8.250 nan 0.000 0.475 235 D N 1.834 122.246 120.400 0.020 0.000 2.978 235 D HA -0.239 4.401 4.640 0.000 0.000 0.205 235 D C 0.813 177.097 176.300 -0.026 0.000 1.093 235 D CA 1.437 55.442 54.000 0.009 0.000 1.006 235 D CB -0.653 40.151 40.800 0.007 0.000 1.116 235 D HN 0.759 nan 8.370 nan 0.000 0.419 236 Q N -0.120 119.668 119.800 -0.020 0.000 2.137 236 Q HA 0.037 4.377 4.340 0.000 0.000 0.198 236 Q C 2.335 178.293 176.000 -0.070 0.000 0.960 236 Q CA 1.590 57.371 55.803 -0.037 0.000 0.847 236 Q CB -0.290 28.440 28.738 -0.013 0.000 0.915 236 Q HN 0.426 nan 8.270 nan 0.000 0.448 237 G N 0.926 109.695 108.800 -0.052 0.000 2.440 237 G HA2 -0.332 3.628 3.960 0.000 0.000 0.218 237 G HA3 -0.332 3.628 3.960 0.000 0.000 0.218 237 G C 1.418 176.072 174.900 -0.410 0.000 1.154 237 G CA 0.920 45.966 45.100 -0.089 0.000 0.767 237 G HN 0.287 nan 8.290 nan 0.000 0.552 238 R N 0.460 120.662 120.500 -0.497 0.000 2.075 238 R HA -0.034 4.306 4.340 0.000 0.000 0.232 238 R C 2.485 178.518 176.300 -0.446 0.000 1.126 238 R CA 1.581 57.196 56.100 -0.808 0.000 0.963 238 R CB -0.282 29.815 30.300 -0.338 0.000 0.858 238 R HN 0.483 nan 8.270 nan 0.000 0.435 239 E N 0.321 120.378 120.200 -0.237 0.000 2.049 239 E HA -0.241 4.109 4.350 0.000 0.000 0.198 239 E C 2.052 178.562 176.600 -0.150 0.000 1.007 239 E CA 1.862 58.172 56.400 -0.149 0.000 0.809 239 E CB -0.198 29.445 29.700 -0.095 0.000 0.749 239 E HN 0.412 nan 8.360 nan 0.000 0.450 240 I N 1.010 121.486 120.570 -0.156 0.000 2.179 240 I HA -0.289 3.881 4.170 0.000 0.000 0.242 240 I C 2.586 178.625 176.117 -0.130 0.000 1.088 240 I CA 1.069 62.296 61.300 -0.122 0.000 1.357 240 I CB -0.366 37.585 38.000 -0.081 0.000 1.051 240 I HN 0.097 nan 8.210 nan 0.000 0.409 241 A N 0.281 122.979 122.820 -0.204 0.000 1.902 241 A HA -0.229 4.091 4.320 0.000 0.000 0.217 241 A C 2.217 179.760 177.584 -0.068 0.000 1.181 241 A CA 1.690 53.648 52.037 -0.133 0.000 0.623 241 A CB -0.597 18.223 19.000 -0.301 0.000 0.818 241 A HN 0.432 nan 8.150 nan 0.000 0.443 242 E N -0.249 119.874 120.200 -0.127 0.000 2.058 242 E HA -0.205 4.145 4.350 0.000 0.000 0.194 242 E C 2.050 178.641 176.600 -0.015 0.000 0.997 242 E CA 1.540 57.912 56.400 -0.047 0.000 0.801 242 E CB -0.118 29.542 29.700 -0.067 0.000 0.746 242 E HN 0.588 nan 8.360 nan 0.000 0.450 243 K N 0.170 120.545 120.400 -0.043 0.000 2.155 243 K HA -0.051 4.269 4.320 0.000 0.000 0.203 243 K C 2.092 178.684 176.600 -0.015 0.000 1.052 243 K CA 0.697 56.966 56.287 -0.030 0.000 0.948 243 K CB 0.025 32.494 32.500 -0.052 0.000 0.728 243 K HN 0.137 nan 8.250 nan 0.000 0.448 244 I N 1.015 121.562 120.570 -0.039 0.000 2.315 244 I HA -0.255 3.915 4.170 0.000 0.000 0.248 244 I C 2.464 178.626 176.117 0.075 0.000 1.117 244 I CA 0.914 62.175 61.300 -0.064 0.000 1.404 244 I CB -0.297 37.581 38.000 -0.203 0.000 1.071 244 I HN 0.129 nan 8.210 nan 0.000 0.419 245 A N 0.923 123.823 122.820 0.133 0.000 1.902 245 A HA -0.162 4.158 4.320 0.000 0.000 0.217 245 A C 2.285 179.966 177.584 0.161 0.000 1.181 245 A CA 1.377 53.534 52.037 0.199 0.000 0.623 245 A CB -0.835 18.270 19.000 0.174 0.000 0.818 245 A HN 0.366 nan 8.150 nan 0.000 0.443 246 L N -0.778 120.510 121.223 0.109 0.000 2.046 246 L HA -0.212 4.128 4.340 0.000 0.000 0.208 246 L C 3.105 180.068 176.870 0.155 0.000 1.077 246 L CA 1.040 55.940 54.840 0.100 0.000 0.747 246 L CB -0.533 41.553 42.059 0.044 0.000 0.896 246 L HN 0.451 nan 8.230 nan 0.000 0.432 247 A N -0.893 122.021 122.820 0.157 0.000 1.902 247 A HA -0.258 4.062 4.320 0.000 0.000 0.217 247 A C 2.546 180.292 177.584 0.271 0.000 1.181 247 A CA 2.114 54.290 52.037 0.231 0.000 0.623 247 A CB -0.773 18.317 19.000 0.150 0.000 0.818 247 A HN 0.383 nan 8.150 nan 0.000 0.443 248 S N -1.083 114.775 115.700 0.264 0.000 2.382 248 S HA -0.202 4.268 4.470 0.000 0.000 0.228 248 S C 2.163 176.850 174.600 0.145 0.000 1.027 248 S CA 1.631 59.990 58.200 0.265 0.000 0.991 248 S CB -0.372 63.062 63.200 0.390 0.000 0.823 248 S HN 0.589 nan 8.310 nan 0.000 0.469 249 Q N -0.109 119.791 119.800 0.166 0.000 2.079 249 Q HA -0.045 4.295 4.340 0.000 0.000 0.200 249 Q C 1.862 177.972 176.000 0.184 0.000 0.974 249 Q CA 0.980 56.867 55.803 0.138 0.000 0.840 249 Q CB -0.786 28.029 28.738 0.127 0.000 0.898 249 Q HN 0.669 nan 8.270 nan 0.000 0.430 250 F N 1.640 121.614 119.950 0.040 0.000 2.120 250 F HA -0.209 4.318 4.527 0.000 0.000 0.300 250 F C 2.102 177.920 175.800 0.029 0.000 1.095 250 F CA 1.407 59.432 58.000 0.042 0.000 1.249 250 F CB -0.630 38.404 39.000 0.055 0.000 0.995 250 F HN 0.040 nan 8.300 nan 0.000 0.480 251 A N -0.457 122.308 122.820 -0.092 0.000 2.066 251 A HA -0.116 4.204 4.320 0.000 0.000 0.218 251 A C 2.015 179.482 177.584 -0.194 0.000 1.157 251 A CA 1.018 52.887 52.037 -0.279 0.000 0.670 251 A CB -0.490 18.203 19.000 -0.512 0.000 0.804 251 A HN 0.456 nan 8.150 nan 0.000 0.453 252 Q N -0.651 119.091 119.800 -0.097 0.000 2.297 252 Q HA 0.057 4.397 4.340 0.000 0.000 0.204 252 Q C 2.069 178.060 176.000 -0.015 0.000 0.962 252 Q CA 1.349 57.116 55.803 -0.060 0.000 0.879 252 Q CB -0.356 28.370 28.738 -0.020 0.000 0.947 252 Q HN 0.676 nan 8.270 nan 0.000 0.462 253 A N 0.016 122.853 122.820 0.028 0.000 2.014 253 A HA 0.010 4.330 4.320 0.000 0.000 0.210 253 A C 0.371 178.002 177.584 0.078 0.000 1.188 253 A CA 0.365 52.448 52.037 0.078 0.000 0.731 253 A CB 0.419 19.511 19.000 0.153 0.000 0.858 253 A HN 0.130 nan 8.150 nan 0.000 0.464 254 D N -1.426 118.990 120.400 0.026 0.000 2.471 254 D HA 0.433 5.074 4.640 0.000 0.000 0.245 254 D C -2.292 174.013 176.300 0.009 0.000 1.116 254 D CA -2.115 51.913 54.000 0.047 0.000 0.853 254 D CB 1.807 42.639 40.800 0.053 0.000 1.123 254 D HN -0.151 nan 8.370 nan 0.000 0.540 255 P HA -0.150 nan 4.420 nan 0.000 0.217 255 P C 0.818 178.085 177.300 -0.056 0.000 1.148 255 P CA 1.126 64.257 63.100 0.052 0.000 0.828 255 P CB 0.061 31.734 31.700 -0.045 0.000 0.783 256 Y N -0.959 119.329 120.300 -0.021 0.000 2.352 256 Y HA -0.142 4.408 4.550 0.000 0.000 0.292 256 Y C 2.673 178.530 175.900 -0.072 0.000 1.136 256 Y CA 1.081 59.161 58.100 -0.033 0.000 1.227 256 Y CB -0.367 38.089 38.460 -0.006 0.000 0.991 256 Y HN -0.174 nan 8.280 nan 0.000 0.545 257 R N 0.575 121.027 120.500 -0.080 0.000 2.080 257 R HA 0.078 4.418 4.340 0.000 0.000 0.222 257 R C 2.171 178.430 176.300 -0.068 0.000 1.107 257 R CA 1.246 57.186 56.100 -0.266 0.000 0.980 257 R CB -0.835 28.831 30.300 -1.057 0.000 0.879 257 R HN 0.148 nan 8.270 nan 0.000 0.439 258 A N 0.761 123.568 122.820 -0.021 0.000 1.902 258 A HA -0.036 4.284 4.320 0.000 0.000 0.217 258 A C 2.383 180.182 177.584 0.358 0.000 1.181 258 A CA 1.825 53.926 52.037 0.107 0.000 0.623 258 A CB -1.169 17.880 19.000 0.080 0.000 0.818 258 A HN 0.471 nan 8.150 nan 0.000 0.443 259 A N -0.599 122.440 122.820 0.364 0.000 1.873 259 A HA -0.177 4.143 4.320 0.000 0.000 0.218 259 A C 2.348 180.076 177.584 0.239 0.000 1.193 259 A CA 2.666 54.867 52.037 0.274 0.000 0.629 259 A CB -1.515 17.457 19.000 -0.046 0.000 0.826 259 A HN 0.484 nan 8.150 nan 0.000 0.447 260 T N -1.491 113.162 114.554 0.165 0.000 2.746 260 T HA -0.160 4.190 4.350 0.000 0.000 0.267 260 T C 1.801 176.614 174.700 0.187 0.000 1.039 260 T CA 1.762 63.950 62.100 0.146 0.000 1.142 260 T CB -0.548 68.385 68.868 0.109 0.000 0.866 260 T HN 0.788 nan 8.240 nan 0.000 0.444 261 H N 2.096 121.230 119.070 0.107 0.000 2.265 261 H HA -0.111 4.445 4.556 0.000 0.000 0.295 261 H C 2.184 177.614 175.328 0.169 0.000 1.084 261 H CA 2.057 58.177 56.048 0.120 0.000 1.261 261 H CB -0.142 29.674 29.762 0.090 0.000 1.360 261 H HN 0.150 nan 8.280 nan 0.000 0.487 262 N N 0.523 119.459 118.700 0.392 0.000 2.244 262 N HA -0.139 4.601 4.740 0.000 0.000 0.183 262 N C 1.847 177.583 175.510 0.376 0.000 1.016 262 N CA 0.680 53.952 53.050 0.369 0.000 0.866 262 N CB -0.243 38.481 38.487 0.396 0.000 0.980 262 N HN 0.344 nan 8.380 nan 0.000 0.430 263 K N 1.357 121.950 120.400 0.322 0.000 2.009 263 K HA -0.088 4.232 4.320 0.000 0.000 0.210 263 K C 1.931 178.657 176.600 0.210 0.000 1.049 263 K CA 1.598 58.039 56.287 0.257 0.000 0.929 263 K CB -0.843 31.755 32.500 0.164 0.000 0.714 263 K HN 0.200 nan 8.250 nan 0.000 0.440 264 G N 1.665 110.546 108.800 0.135 0.000 2.440 264 G HA2 -0.242 3.719 3.960 0.000 0.000 0.218 264 G HA3 -0.242 3.719 3.960 0.000 0.000 0.218 264 G C 1.811 176.754 174.900 0.071 0.000 1.154 264 G CA 1.038 46.185 45.100 0.077 0.000 0.767 264 G HN 0.356 nan 8.290 nan 0.000 0.552 265 I N -0.571 120.040 120.570 0.070 0.000 2.194 265 I HA -0.171 3.999 4.170 0.000 0.000 0.246 265 I C 2.272 178.341 176.117 -0.080 0.000 1.093 265 I CA 1.079 62.380 61.300 0.001 0.000 1.355 265 I CB -0.180 37.824 38.000 0.006 0.000 1.046 265 I HN 0.111 nan 8.210 nan 0.000 0.413 266 F N 0.568 120.523 119.950 0.008 0.000 2.710 266 F HA -0.024 4.503 4.527 0.000 0.000 0.298 266 F C 2.101 177.870 175.800 -0.050 0.000 1.137 266 F CA 0.348 58.343 58.000 -0.009 0.000 1.444 266 F CB -0.373 38.656 39.000 0.048 0.000 1.111 266 F HN 0.066 nan 8.300 nan 0.000 0.580 267 N N 0.437 119.195 118.700 0.097 0.000 2.094 267 N HA -0.159 4.582 4.740 0.000 0.000 0.191 267 N C 2.218 177.669 175.510 -0.097 0.000 1.023 267 N CA 1.503 54.561 53.050 0.013 0.000 0.857 267 N CB -0.881 37.634 38.487 0.048 0.000 1.013 267 N HN 0.363 nan 8.380 nan 0.000 0.426 268 G N 0.622 109.363 108.800 -0.099 0.000 2.395 268 G HA2 -0.054 3.906 3.960 0.000 0.000 0.214 268 G HA3 -0.054 3.906 3.960 0.000 0.000 0.214 268 G C 1.709 176.343 174.900 -0.443 0.000 1.177 268 G CA 0.153 45.117 45.100 -0.227 0.000 0.794 268 G HN 0.223 nan 8.290 nan 0.000 0.532 269 I N 1.099 121.467 120.570 -0.337 0.000 2.179 269 I HA -0.146 4.024 4.170 0.000 0.000 0.242 269 I C 2.261 178.245 176.117 -0.223 0.000 1.088 269 I CA 1.306 62.391 61.300 -0.359 0.000 1.357 269 I CB -0.183 37.416 38.000 -0.669 0.000 1.051 269 I HN 0.048 nan 8.210 nan 0.000 0.409 270 D N 0.940 121.275 120.400 -0.108 0.000 2.178 270 D HA -0.133 4.507 4.640 0.000 0.000 0.201 270 D C 2.193 178.342 176.300 -0.253 0.000 0.980 270 D CA 1.381 55.327 54.000 -0.090 0.000 0.842 270 D CB -0.162 40.559 40.800 -0.132 0.000 0.948 270 D HN 0.348 nan 8.370 nan 0.000 0.472 271 A N 0.794 123.376 122.820 -0.396 0.000 1.858 271 A HA -0.141 4.179 4.320 0.000 0.000 0.216 271 A C 2.291 179.634 177.584 -0.401 0.000 1.190 271 A CA 1.016 52.762 52.037 -0.485 0.000 0.617 271 A CB -0.777 17.710 19.000 -0.855 0.000 0.827 271 A HN 0.312 nan 8.150 nan 0.000 0.443 272 I N -0.548 119.739 120.570 -0.471 0.000 2.439 272 I HA -0.163 4.007 4.170 0.000 0.000 0.251 272 I C 2.084 178.138 176.117 -0.107 0.000 1.139 272 I CA 0.898 62.063 61.300 -0.225 0.000 1.438 272 I CB -0.068 37.825 38.000 -0.178 0.000 1.085 272 I HN 0.330 nan 8.210 nan 0.000 0.427 273 L N 0.511 121.688 121.223 -0.077 0.000 2.046 273 L HA -0.240 4.100 4.340 0.000 0.000 0.208 273 L C 2.479 179.419 176.870 0.116 0.000 1.077 273 L CA 1.491 56.360 54.840 0.048 0.000 0.747 273 L CB -0.534 41.610 42.059 0.141 0.000 0.896 273 L HN 0.260 nan 8.230 nan 0.000 0.432 274 I N -0.074 120.538 120.570 0.069 0.000 2.202 274 I HA -0.265 3.905 4.170 0.000 0.000 0.242 274 I C 2.814 179.005 176.117 0.123 0.000 1.091 274 I CA 1.162 62.528 61.300 0.111 0.000 1.368 274 I CB -0.477 37.509 38.000 -0.024 0.000 1.058 274 I HN 0.178 nan 8.210 nan 0.000 0.410 275 A N 0.486 123.355 122.820 0.082 0.000 1.978 275 A HA -0.231 4.089 4.320 0.000 0.000 0.220 275 A C 2.219 179.879 177.584 0.127 0.000 1.170 275 A CA 2.414 54.545 52.037 0.156 0.000 0.636 275 A CB -1.101 17.957 19.000 0.096 0.000 0.810 275 A HN 0.543 nan 8.150 nan 0.000 0.448 276 T N -4.544 110.045 114.554 0.059 0.000 3.145 276 T HA 0.431 4.781 4.350 0.000 0.000 0.255 276 T C 1.158 176.003 174.700 0.243 0.000 1.039 276 T CA 0.907 63.025 62.100 0.030 0.000 0.928 276 T CB -0.046 68.721 68.868 -0.169 0.000 1.029 276 T HN 1.708 nan 8.240 nan 0.000 0.554 277 G N 1.807 110.726 108.800 0.198 0.000 2.221 277 G HA2 -0.241 3.719 3.960 0.000 0.000 0.265 277 G HA3 -0.241 3.719 3.960 0.000 0.000 0.265 277 G C -0.190 174.808 174.900 0.164 0.000 1.041 277 G CA -0.269 44.944 45.100 0.188 0.000 0.807 277 G HN 0.604 nan 8.290 nan 0.000 0.502 278 N N 0.330 119.133 118.700 0.171 0.000 2.487 278 N HA 0.298 5.039 4.740 0.000 0.000 0.292 278 N C -0.775 174.824 175.510 0.148 0.000 1.108 278 N CA -0.543 52.589 53.050 0.137 0.000 0.956 278 N CB 1.170 39.729 38.487 0.121 0.000 1.176 278 N HN 0.177 nan 8.380 nan 0.000 0.484 279 D N 1.823 122.251 120.400 0.047 0.000 2.348 279 D HA -0.032 4.609 4.640 0.000 0.000 0.259 279 D C 0.998 177.290 176.300 -0.014 0.000 1.296 279 D CA -0.300 53.651 54.000 -0.081 0.000 0.931 279 D CB 0.191 40.921 40.800 -0.116 0.000 1.067 279 D HN 0.570 nan 8.370 nan 0.000 0.503 280 W N 4.728 126.053 121.300 0.041 0.000 2.467 280 W HA 0.032 4.692 4.660 0.000 0.000 0.275 280 W C 1.542 178.096 176.519 0.058 0.000 1.239 280 W CA 0.004 57.390 57.345 0.068 0.000 1.266 280 W CB -0.307 29.196 29.460 0.070 0.000 1.112 280 W HN 0.209 nan 8.180 nan 0.000 0.576 281 R N 1.379 121.562 120.500 -0.529 0.000 2.105 281 R HA -0.092 4.248 4.340 0.000 0.000 0.239 281 R C 2.594 178.840 176.300 -0.091 0.000 1.135 281 R CA 2.399 58.327 56.100 -0.287 0.000 0.967 281 R CB -1.211 28.849 30.300 -0.400 0.000 0.861 281 R HN 0.362 nan 8.270 nan 0.000 0.442 282 A N 0.596 123.366 122.820 -0.083 0.000 1.898 282 A HA -0.081 4.239 4.320 0.000 0.000 0.216 282 A C 1.907 179.527 177.584 0.061 0.000 1.181 282 A CA 1.121 53.150 52.037 -0.015 0.000 0.620 282 A CB -0.301 18.683 19.000 -0.027 0.000 0.819 282 A HN 0.096 nan 8.150 nan 0.000 0.442 283 I N 0.256 120.898 120.570 0.119 0.000 2.353 283 I HA -0.139 4.031 4.170 0.000 0.000 0.248 283 I C 2.318 178.589 176.117 0.257 0.000 1.119 283 I CA 1.003 62.431 61.300 0.212 0.000 1.417 283 I CB -1.574 36.588 38.000 0.270 0.000 1.078 283 I HN 0.383 nan 8.210 nan 0.000 0.421 284 E N 1.227 121.518 120.200 0.151 0.000 2.058 284 E HA -0.208 4.142 4.350 0.000 0.000 0.194 284 E C 2.322 178.931 176.600 0.016 0.000 0.997 284 E CA 1.668 57.977 56.400 -0.153 0.000 0.801 284 E CB -0.108 29.555 29.700 -0.062 0.000 0.746 284 E HN 0.459 nan 8.360 nan 0.000 0.450 285 A N 1.191 124.045 122.820 0.057 0.000 1.877 285 A HA -0.110 4.210 4.320 0.000 0.000 0.216 285 A C 2.498 180.159 177.584 0.128 0.000 1.186 285 A CA 2.062 54.142 52.037 0.071 0.000 0.620 285 A CB -1.120 17.898 19.000 0.030 0.000 0.822 285 A HN 0.354 nan 8.150 nan 0.000 0.443 286 G N -0.772 108.123 108.800 0.158 0.000 2.402 286 G HA2 0.053 4.013 3.960 0.000 0.000 0.216 286 G HA3 0.053 4.013 3.960 0.000 0.000 0.216 286 G C 1.735 176.817 174.900 0.302 0.000 1.162 286 G CA 1.403 46.660 45.100 0.263 0.000 0.777 286 G HN 0.796 nan 8.290 nan 0.000 0.539 287 A N -0.046 122.906 122.820 0.220 0.000 1.898 287 A HA -0.028 4.292 4.320 0.000 0.000 0.216 287 A C 2.175 179.871 177.584 0.187 0.000 1.181 287 A CA 1.533 53.707 52.037 0.228 0.000 0.620 287 A CB -0.636 18.564 19.000 0.334 0.000 0.819 287 A HN 0.420 nan 8.150 nan 0.000 0.442 288 H N -0.568 118.596 119.070 0.156 0.000 2.428 288 H HA 0.080 4.636 4.556 0.000 0.000 0.296 288 H C 2.490 177.925 175.328 0.179 0.000 1.062 288 H CA 1.156 57.309 56.048 0.175 0.000 1.350 288 H CB -0.219 29.589 29.762 0.078 0.000 1.403 288 H HN 0.528 nan 8.280 nan 0.000 0.533 289 A N 0.740 123.685 122.820 0.208 0.000 1.873 289 A HA -0.162 4.158 4.320 0.000 0.000 0.215 289 A C 2.198 179.842 177.584 0.100 0.000 1.186 289 A CA 0.931 52.972 52.037 0.006 0.000 0.616 289 A CB -0.983 17.831 19.000 -0.309 0.000 0.823 289 A HN 0.289 nan 8.150 nan 0.000 0.442 290 F N 1.114 121.191 119.950 0.211 0.000 2.154 290 F HA -0.172 4.355 4.527 0.000 0.000 0.301 290 F C 2.481 178.326 175.800 0.075 0.000 1.087 290 F CA 0.991 59.148 58.000 0.260 0.000 1.274 290 F CB -0.329 38.804 39.000 0.221 0.000 1.009 290 F HN 0.244 nan 8.300 nan 0.000 0.485 291 A N -1.108 121.759 122.820 0.078 0.000 2.125 291 A HA -0.113 4.207 4.320 0.000 0.000 0.219 291 A C 1.976 179.404 177.584 -0.259 0.000 1.156 291 A CA 1.540 53.465 52.037 -0.185 0.000 0.671 291 A CB -0.965 17.809 19.000 -0.376 0.000 0.794 291 A HN 0.409 nan 8.150 nan 0.000 0.459 292 S N -0.727 114.915 115.700 -0.096 0.000 2.602 292 S HA 0.113 4.583 4.470 0.000 0.000 0.240 292 S C 1.398 175.954 174.600 -0.073 0.000 0.992 292 S CA 0.121 58.296 58.200 -0.043 0.000 0.971 292 S CB -0.223 63.035 63.200 0.097 0.000 0.855 292 S HN 0.733 nan 8.310 nan 0.000 0.481 293 R N 0.860 121.277 120.500 -0.138 0.000 2.148 293 R HA 0.082 4.422 4.340 0.000 0.000 0.223 293 R C 0.022 176.259 176.300 -0.104 0.000 1.088 293 R CA 1.270 57.298 56.100 -0.119 0.000 0.985 293 R CB -0.564 29.613 30.300 -0.205 0.000 0.880 293 R HN 0.227 nan 8.270 nan 0.000 0.451 294 D N 0.147 120.474 120.400 -0.122 0.000 2.336 294 D HA 0.148 4.788 4.640 0.000 0.000 0.228 294 D C 0.815 177.083 176.300 -0.052 0.000 1.120 294 D CA 0.827 54.776 54.000 -0.087 0.000 0.839 294 D CB 0.949 41.690 40.800 -0.099 0.000 0.932 294 D HN 0.578 nan 8.370 nan 0.000 0.509 295 G N 1.154 109.930 108.800 -0.040 0.000 2.213 295 G HA2 -0.265 3.695 3.960 0.000 0.000 0.226 295 G HA3 -0.265 3.695 3.960 0.000 0.000 0.226 295 G C 0.558 175.455 174.900 -0.006 0.000 0.992 295 G CA -0.110 44.978 45.100 -0.019 0.000 0.632 295 G HN 0.421 nan 8.290 nan 0.000 0.511 296 R N -0.956 119.538 120.500 -0.010 0.000 2.698 296 R HA 0.569 4.909 4.340 0.000 0.000 0.275 296 R C -0.978 175.337 176.300 0.025 0.000 1.001 296 R CA -0.981 55.130 56.100 0.018 0.000 0.896 296 R CB 1.101 31.411 30.300 0.016 0.000 1.218 296 R HN 0.197 nan 8.270 nan 0.000 0.462 297 Y N 3.222 123.495 120.300 -0.046 0.000 2.537 297 Y HA 0.131 4.681 4.550 0.000 0.000 0.339 297 Y C -0.641 175.235 175.900 -0.041 0.000 1.066 297 Y CA 0.920 58.995 58.100 -0.041 0.000 1.357 297 Y CB 0.582 39.010 38.460 -0.053 0.000 1.175 297 Y HN 0.485 nan 8.280 nan 0.000 0.525 298 Q N 3.326 122.832 119.800 -0.490 0.000 2.528 298 Q HA 0.499 4.839 4.340 0.000 0.000 0.289 298 Q C -0.329 175.427 176.000 -0.406 0.000 1.091 298 Q CA -1.157 54.449 55.803 -0.329 0.000 0.797 298 Q CB 1.711 30.331 28.738 -0.197 0.000 1.466 298 Q HN 0.893 nan 8.270 nan 0.000 0.436 299 G N 0.468 109.090 108.800 -0.296 0.000 2.414 299 G HA2 0.111 4.071 3.960 0.000 0.000 0.236 299 G HA3 0.111 4.071 3.960 0.000 0.000 0.236 299 G C 0.316 175.151 174.900 -0.108 0.000 1.293 299 G CA -0.067 44.853 45.100 -0.299 0.000 0.869 299 G HN 0.558 nan 8.290 nan 0.000 0.556 300 L N 1.420 122.694 121.223 0.085 0.000 2.418 300 L HA 0.109 4.449 4.340 0.000 0.000 0.218 300 L C 1.639 178.593 176.870 0.139 0.000 1.125 300 L CA 0.632 55.542 54.840 0.116 0.000 0.835 300 L CB -0.226 41.928 42.059 0.159 0.000 0.953 300 L HN 0.621 nan 8.230 nan 0.000 0.454 301 S N -1.214 114.618 115.700 0.220 0.000 2.638 301 S HA 0.646 5.116 4.470 0.000 0.000 0.302 301 S C -0.479 174.189 174.600 0.114 0.000 1.096 301 S CA -0.979 57.309 58.200 0.145 0.000 0.953 301 S CB 2.124 65.436 63.200 0.188 0.000 1.107 301 S HN 0.200 nan 8.310 nan 0.000 0.503 302 C N -0.990 118.288 119.300 -0.036 0.000 2.698 302 C HA 0.898 5.358 4.460 0.000 0.000 0.309 302 C C -1.745 173.168 174.990 -0.129 0.000 1.186 302 C CA -0.973 58.055 59.018 0.016 0.000 1.474 302 C CB -0.477 27.275 27.740 0.020 0.000 2.020 302 C HN 0.931 nan 8.230 nan 0.000 0.474 303 W N 2.285 123.669 121.300 0.139 0.000 2.538 303 W HA 0.629 5.289 4.660 0.000 0.000 0.322 303 W C 0.297 176.891 176.519 0.125 0.000 1.028 303 W CA 0.043 57.478 57.345 0.150 0.000 1.228 303 W CB 2.274 31.845 29.460 0.184 0.000 1.356 303 W HN 1.009 nan 8.180 nan 0.000 0.452 304 T N 0.085 114.817 114.554 0.297 0.000 2.907 304 T HA 0.827 5.177 4.350 0.000 0.000 0.290 304 T C -0.873 173.971 174.700 0.240 0.000 1.066 304 T CA -0.978 61.253 62.100 0.218 0.000 1.012 304 T CB 1.226 70.172 68.868 0.131 0.000 1.184 304 T HN 0.257 nan 8.240 nan 0.000 0.522 305 L N 1.171 122.517 121.223 0.205 0.000 2.325 305 L HA 0.555 4.895 4.340 0.000 0.000 0.278 305 L C -0.404 176.564 176.870 0.163 0.000 1.023 305 L CA -0.953 54.030 54.840 0.238 0.000 0.811 305 L CB 1.450 43.660 42.059 0.253 0.000 1.249 305 L HN 0.709 nan 8.230 nan 0.000 0.431 306 D N 2.677 123.158 120.400 0.135 0.000 2.427 306 D HA 0.272 4.912 4.640 0.000 0.000 0.226 306 D C 0.534 176.845 176.300 0.018 0.000 1.076 306 D CA -0.216 53.814 54.000 0.050 0.000 0.849 306 D CB 1.601 42.401 40.800 0.000 0.000 1.052 306 D HN 0.434 nan 8.370 nan 0.000 0.515 307 L N 2.609 123.865 121.223 0.055 0.000 2.270 307 L HA 0.045 4.385 4.340 0.000 0.000 0.210 307 L C 2.205 179.075 176.870 0.000 0.000 1.104 307 L CA 0.496 55.378 54.840 0.071 0.000 0.804 307 L CB 0.110 42.229 42.059 0.100 0.000 0.937 307 L HN 0.449 nan 8.230 nan 0.000 0.450 308 E N 0.467 120.657 120.200 -0.016 0.000 2.046 308 E HA -0.152 4.198 4.350 0.000 0.000 0.190 308 E C 2.120 178.676 176.600 -0.074 0.000 0.982 308 E CA 0.804 57.185 56.400 -0.031 0.000 0.800 308 E CB 0.230 29.919 29.700 -0.018 0.000 0.756 308 E HN 0.358 nan 8.360 nan 0.000 0.449 309 R N 0.368 120.807 120.500 -0.101 0.000 2.299 309 R HA 0.034 4.374 4.340 0.000 0.000 0.197 309 R C -0.191 175.944 176.300 -0.275 0.000 0.971 309 R CA 0.345 56.361 56.100 -0.141 0.000 1.030 309 R CB 0.095 30.332 30.300 -0.106 0.000 0.932 309 R HN 0.176 nan 8.270 nan 0.000 0.477 310 E N 1.187 121.147 120.200 -0.400 0.000 2.240 310 E HA -0.208 4.142 4.350 0.000 0.000 0.194 310 E C -1.077 174.699 176.600 -1.373 0.000 1.385 310 E CA 0.654 56.460 56.400 -0.990 0.000 0.686 310 E CB -1.025 28.266 29.700 -0.682 0.000 1.125 310 E HN 0.433 nan 8.360 nan 0.000 0.359 311 E N 0.216 119.916 120.200 -0.834 0.000 2.314 311 E HA 0.476 4.826 4.350 0.000 0.000 0.272 311 E C -1.105 175.602 176.600 0.178 0.000 0.884 311 E CA -1.045 55.183 56.400 -0.287 0.000 0.753 311 E CB 1.907 31.536 29.700 -0.117 0.000 1.213 311 E HN 0.091 nan 8.360 nan 0.000 0.432 312 L N 3.171 124.622 121.223 0.381 0.000 2.264 312 L HA 0.374 4.714 4.340 0.000 0.000 0.289 312 L C -1.360 175.727 176.870 0.361 0.000 1.044 312 L CA -0.443 54.667 54.840 0.451 0.000 0.807 312 L CB 1.177 43.529 42.059 0.488 0.000 1.192 312 L HN 0.297 nan 8.230 nan 0.000 0.425 313 V N 4.953 125.057 119.914 0.317 0.000 2.398 313 V HA 0.788 4.908 4.120 0.000 0.000 0.286 313 V C 0.573 176.680 176.094 0.020 0.000 1.026 313 V CA -0.298 62.090 62.300 0.148 0.000 0.868 313 V CB 1.213 33.078 31.823 0.070 0.000 0.982 313 V HN 0.915 nan 8.190 nan 0.000 0.443 314 G N 3.180 111.749 108.800 -0.386 0.000 2.495 314 G HA2 0.735 4.695 3.960 0.000 0.000 0.318 314 G HA3 0.735 4.695 3.960 0.000 0.000 0.318 314 G C -1.242 173.284 174.900 -0.624 0.000 1.257 314 G CA -0.341 44.014 45.100 -1.243 0.000 0.962 314 G HN 0.646 nan 8.290 nan 0.000 0.483 315 E N 0.849 120.731 120.200 -0.531 0.000 2.366 315 E HA 0.610 4.960 4.350 0.000 0.000 0.278 315 E C -1.480 175.021 176.600 -0.164 0.000 0.923 315 E CA -0.810 55.449 56.400 -0.235 0.000 0.761 315 E CB 2.457 32.078 29.700 -0.130 0.000 1.231 315 E HN 0.493 nan 8.360 nan 0.000 0.443 316 M N 2.297 121.852 119.600 -0.075 0.000 2.322 316 M HA 0.352 4.832 4.480 0.000 0.000 0.285 316 M C -1.889 174.419 176.300 0.013 0.000 1.119 316 M CA -0.222 55.067 55.300 -0.018 0.000 0.953 316 M CB 2.338 34.922 32.600 -0.027 0.000 1.701 316 M HN 0.410 nan 8.290 nan 0.000 0.479 317 T N 5.678 120.275 114.554 0.071 0.000 2.792 317 T HA 0.737 5.087 4.350 0.000 0.000 0.280 317 T C -0.929 173.755 174.700 -0.028 0.000 0.990 317 T CA -0.507 61.630 62.100 0.062 0.000 0.960 317 T CB 0.959 69.914 68.868 0.145 0.000 0.939 317 T HN 0.561 nan 8.240 nan 0.000 0.439 318 L N 4.171 125.294 121.223 -0.167 0.000 2.409 318 L HA 0.512 4.852 4.340 0.000 0.000 0.262 318 L C -2.615 174.047 176.870 -0.347 0.000 0.992 318 L CA -2.884 51.797 54.840 -0.264 0.000 0.817 318 L CB 2.629 44.617 42.059 -0.119 0.000 1.350 318 L HN 0.330 nan 8.230 nan 0.000 0.411 319 P HA 0.161 nan 4.420 nan 0.000 0.271 319 P C -0.553 176.674 177.300 -0.122 0.000 1.226 319 P CA -0.142 62.796 63.100 -0.270 0.000 0.765 319 P CB 0.654 32.213 31.700 -0.235 0.000 0.835 320 M N 5.987 125.527 119.600 -0.101 0.000 3.053 320 M HA 0.295 4.775 4.480 0.000 0.000 0.293 320 M C -2.499 173.773 176.300 -0.046 0.000 1.470 320 M CA -2.409 52.852 55.300 -0.064 0.000 0.582 320 M CB 1.067 33.615 32.600 -0.087 0.000 1.435 320 M HN 0.001 nan 8.290 nan 0.000 0.451 321 P HA 0.141 nan 4.420 nan 0.000 0.226 321 P C 0.001 177.296 177.300 -0.008 0.000 1.783 321 P CA 0.063 63.149 63.100 -0.024 0.000 0.980 321 P CB -0.651 31.035 31.700 -0.025 0.000 1.967 322 V N -0.648 119.262 119.914 -0.006 0.000 3.489 322 V HA 0.826 4.946 4.120 0.000 0.000 0.297 322 V C 0.173 176.279 176.094 0.021 0.000 1.071 322 V CA -0.882 61.426 62.300 0.014 0.000 1.074 322 V CB 0.531 32.361 31.823 0.013 0.000 1.188 322 V HN 0.381 nan 8.190 nan 0.000 0.458 323 A N 0.311 123.157 122.820 0.044 0.000 2.527 323 A HA 0.781 5.101 4.320 0.000 0.000 0.293 323 A C 0.327 177.952 177.584 0.069 0.000 1.117 323 A CA 0.039 52.099 52.037 0.039 0.000 0.723 323 A CB 1.742 20.756 19.000 0.022 0.000 1.313 323 A HN 1.623 nan 8.150 nan 0.000 0.411 324 T N -2.317 112.247 114.554 0.017 0.000 3.043 324 T HA 0.314 4.664 4.350 0.000 0.000 0.272 324 T C 0.181 174.784 174.700 -0.161 0.000 0.990 324 T CA 0.159 62.219 62.100 -0.067 0.000 0.897 324 T CB -0.548 68.311 68.868 -0.015 0.000 1.111 324 T HN 0.847 nan 8.240 nan 0.000 0.529 325 K N 0.064 120.419 120.400 -0.075 0.000 2.435 325 K HA 0.800 5.120 4.320 0.000 0.000 0.251 325 K C -0.438 176.144 176.600 -0.030 0.000 0.954 325 K CA -1.087 55.162 56.287 -0.063 0.000 0.820 325 K CB 2.152 34.632 32.500 -0.033 0.000 1.292 325 K HN 0.252 nan 8.250 nan 0.000 0.436 326 G N 0.205 108.992 108.800 -0.022 0.000 2.350 326 G HA2 0.039 3.999 3.960 0.000 0.000 0.305 326 G HA3 0.039 3.999 3.960 0.000 0.000 0.305 326 G C 0.278 175.179 174.900 0.002 0.000 1.479 326 G CA -0.261 44.837 45.100 -0.003 0.000 0.949 326 G HN 0.629 nan 8.290 nan 0.000 0.651 327 S N -0.028 115.677 115.700 0.008 0.000 2.368 327 S HA -0.208 4.262 4.470 0.000 0.000 0.226 327 S C 2.507 177.120 174.600 0.021 0.000 1.044 327 S CA 2.618 60.826 58.200 0.012 0.000 1.062 327 S CB -0.754 62.453 63.200 0.011 0.000 0.931 327 S HN 1.640 nan 8.310 nan 0.000 0.440 328 S N 1.438 117.157 115.700 0.032 0.000 2.383 328 S HA -0.015 4.455 4.470 0.000 0.000 0.229 328 S C 1.804 176.439 174.600 0.058 0.000 1.030 328 S CA 1.296 59.528 58.200 0.053 0.000 1.002 328 S CB -0.701 62.542 63.200 0.072 0.000 0.829 328 S HN 0.570 nan 8.310 nan 0.000 0.467 329 I N 0.962 121.558 120.570 0.043 0.000 2.315 329 I HA -0.053 4.118 4.170 0.000 0.000 0.248 329 I C 2.623 178.738 176.117 -0.002 0.000 1.117 329 I CA 1.124 62.435 61.300 0.017 0.000 1.404 329 I CB -0.633 37.325 38.000 -0.070 0.000 1.071 329 I HN 0.426 nan 8.210 nan 0.000 0.419 330 G N 0.459 109.257 108.800 -0.003 0.000 2.421 330 G HA2 -0.060 3.900 3.960 0.000 0.000 0.217 330 G HA3 -0.060 3.900 3.960 0.000 0.000 0.217 330 G C 1.629 176.537 174.900 0.013 0.000 1.143 330 G CA 0.392 45.492 45.100 -0.000 0.000 0.784 330 G HN 0.264 nan 8.290 nan 0.000 0.541 331 L N -0.600 120.637 121.223 0.023 0.000 2.467 331 L HA 0.241 4.581 4.340 0.000 0.000 0.213 331 L C 0.679 177.568 176.870 0.033 0.000 1.053 331 L CA -0.193 54.662 54.840 0.026 0.000 0.847 331 L CB 0.018 42.092 42.059 0.025 0.000 1.075 331 L HN 0.036 nan 8.230 nan 0.000 0.479 332 N N 1.819 120.545 118.700 0.044 0.000 2.401 332 N HA 0.074 4.814 4.740 0.000 0.000 0.255 332 N C -1.774 173.761 175.510 0.043 0.000 1.110 332 N CA -1.712 51.367 53.050 0.048 0.000 0.949 332 N CB 1.421 39.949 38.487 0.068 0.000 1.110 332 N HN -0.050 nan 8.380 nan 0.000 0.490 333 P HA -0.101 nan 4.420 nan 0.000 0.222 333 P C 1.049 178.353 177.300 0.006 0.000 1.147 333 P CA 0.720 63.831 63.100 0.018 0.000 0.790 333 P CB 0.553 32.258 31.700 0.008 0.000 0.780 334 R N 0.416 120.904 120.500 -0.019 0.000 2.119 334 R HA -0.000 4.340 4.340 0.000 0.000 0.222 334 R C 2.029 178.339 176.300 0.018 0.000 1.088 334 R CA 0.948 56.997 56.100 -0.085 0.000 0.984 334 R CB -1.533 28.650 30.300 -0.194 0.000 0.884 334 R HN -0.031 nan 8.270 nan 0.000 0.447 335 V N 0.655 120.621 119.914 0.087 0.000 2.307 335 V HA -0.171 3.949 4.120 0.000 0.000 0.245 335 V C 2.328 178.567 176.094 0.242 0.000 1.045 335 V CA 1.873 64.280 62.300 0.178 0.000 1.024 335 V CB -0.974 30.956 31.823 0.179 0.000 0.651 335 V HN 0.469 nan 8.190 nan 0.000 0.449 336 A N -0.188 122.725 122.820 0.156 0.000 1.892 336 A HA -0.263 4.057 4.320 0.000 0.000 0.218 336 A C 2.276 179.951 177.584 0.151 0.000 1.188 336 A CA 2.351 54.471 52.037 0.138 0.000 0.631 336 A CB -0.688 18.353 19.000 0.069 0.000 0.822 336 A HN 0.511 nan 8.150 nan 0.000 0.447 337 L N -0.410 120.877 121.223 0.106 0.000 2.012 337 L HA -0.202 4.139 4.340 0.000 0.000 0.210 337 L C 2.639 179.598 176.870 0.148 0.000 1.073 337 L CA 2.115 57.015 54.840 0.100 0.000 0.748 337 L CB -0.264 41.819 42.059 0.041 0.000 0.891 337 L HN 0.353 nan 8.230 nan 0.000 0.431 338 S N -1.166 114.638 115.700 0.172 0.000 2.370 338 S HA -0.218 4.252 4.470 0.000 0.000 0.226 338 S C 1.815 176.449 174.600 0.055 0.000 1.033 338 S CA 1.181 59.477 58.200 0.160 0.000 1.011 338 S CB -0.550 62.739 63.200 0.149 0.000 0.852 338 S HN 0.576 nan 8.310 nan 0.000 0.457 339 H N 0.997 120.127 119.070 0.099 0.000 2.357 339 H HA -0.048 4.508 4.556 0.000 0.000 0.301 339 H C 1.809 177.187 175.328 0.083 0.000 1.082 339 H CA 1.571 57.665 56.048 0.077 0.000 1.342 339 H CB -0.375 29.423 29.762 0.060 0.000 1.389 339 H HN 0.342 nan 8.280 nan 0.000 0.511 340 D N 0.841 121.359 120.400 0.196 0.000 2.104 340 D HA -0.133 4.507 4.640 0.000 0.000 0.194 340 D C 2.353 178.730 176.300 0.127 0.000 0.994 340 D CA 0.436 54.519 54.000 0.138 0.000 0.830 340 D CB -0.591 40.276 40.800 0.111 0.000 0.959 340 D HN 0.147 nan 8.370 nan 0.000 0.452 341 L N 0.415 121.717 121.223 0.132 0.000 2.081 341 L HA -0.135 4.205 4.340 0.000 0.000 0.212 341 L C 1.747 178.700 176.870 0.139 0.000 1.080 341 L CA 1.517 56.437 54.840 0.133 0.000 0.754 341 L CB -0.373 41.777 42.059 0.152 0.000 0.893 341 L HN 0.055 nan 8.230 nan 0.000 0.433 342 L N -0.387 120.919 121.223 0.137 0.000 2.627 342 L HA 0.204 4.544 4.340 0.000 0.000 0.233 342 L C 1.401 178.423 176.870 0.255 0.000 1.144 342 L CA 0.479 55.437 54.840 0.197 0.000 0.892 342 L CB -0.804 41.295 42.059 0.066 0.000 1.039 342 L HN 0.572 nan 8.230 nan 0.000 0.442 343 G N 0.593 109.496 108.800 0.172 0.000 2.160 343 G HA2 -0.359 3.601 3.960 0.000 0.000 0.251 343 G HA3 -0.359 3.601 3.960 0.000 0.000 0.251 343 G C 0.301 175.284 174.900 0.139 0.000 1.008 343 G CA 0.254 45.437 45.100 0.139 0.000 0.724 343 G HN 0.638 nan 8.290 nan 0.000 0.514 344 N N -1.148 117.642 118.700 0.150 0.000 2.727 344 N HA -0.134 4.606 4.740 0.000 0.000 0.251 344 N C -1.749 173.843 175.510 0.137 0.000 1.040 344 N CA 0.845 53.984 53.050 0.149 0.000 0.712 344 N CB -0.757 37.794 38.487 0.107 0.000 0.912 344 N HN 0.672 nan 8.380 nan 0.000 0.545 345 P HA 0.081 nan 4.420 nan 0.000 0.269 345 P C 0.154 177.507 177.300 0.087 0.000 1.215 345 P CA -0.181 62.981 63.100 0.103 0.000 0.780 345 P CB 0.742 32.466 31.700 0.040 0.000 0.898 346 S N 0.814 116.549 115.700 0.058 0.000 2.596 346 S HA 0.275 4.745 4.470 0.000 0.000 0.260 346 S C 1.614 176.232 174.600 0.031 0.000 1.336 346 S CA -0.095 58.130 58.200 0.041 0.000 0.993 346 S CB 0.193 63.409 63.200 0.027 0.000 0.923 346 S HN 0.581 nan 8.310 nan 0.000 0.567 347 A N 1.230 124.065 122.820 0.025 0.000 1.940 347 A HA -0.142 4.178 4.320 0.000 0.000 0.219 347 A C 2.373 179.950 177.584 -0.011 0.000 1.176 347 A CA 1.588 53.634 52.037 0.016 0.000 0.631 347 A CB -0.749 18.258 19.000 0.012 0.000 0.814 347 A HN 0.886 nan 8.150 nan 0.000 0.446 348 R N -0.528 119.964 120.500 -0.014 0.000 2.073 348 R HA -0.137 4.203 4.340 0.000 0.000 0.234 348 R C 2.194 178.466 176.300 -0.047 0.000 1.134 348 R CA 1.780 57.862 56.100 -0.031 0.000 0.952 348 R CB -0.306 29.980 30.300 -0.023 0.000 0.850 348 R HN 0.706 nan 8.270 nan 0.000 0.433 349 E N 0.391 120.571 120.200 -0.034 0.000 2.072 349 E HA -0.189 4.161 4.350 0.000 0.000 0.191 349 E C 1.911 178.437 176.600 -0.123 0.000 0.985 349 E CA 0.802 57.171 56.400 -0.052 0.000 0.801 349 E CB -0.100 29.601 29.700 0.001 0.000 0.750 349 E HN 0.093 nan 8.360 nan 0.000 0.452 350 L N 1.285 122.447 121.223 -0.101 0.000 2.012 350 L HA -0.148 4.192 4.340 0.000 0.000 0.210 350 L C 2.238 179.022 176.870 -0.143 0.000 1.073 350 L CA 2.092 56.850 54.840 -0.135 0.000 0.748 350 L CB -0.767 41.258 42.059 -0.057 0.000 0.891 350 L HN 0.056 nan 8.230 nan 0.000 0.431 351 A N -1.114 121.644 122.820 -0.104 0.000 1.940 351 A HA -0.289 4.031 4.320 0.000 0.000 0.219 351 A C 2.185 179.682 177.584 -0.145 0.000 1.176 351 A CA 2.045 54.016 52.037 -0.110 0.000 0.631 351 A CB -0.603 18.346 19.000 -0.084 0.000 0.814 351 A HN 0.705 nan 8.150 nan 0.000 0.446 352 Q N -0.777 118.935 119.800 -0.146 0.000 2.172 352 Q HA -0.015 4.325 4.340 0.000 0.000 0.200 352 Q C 1.973 177.844 176.000 -0.215 0.000 0.964 352 Q CA 1.245 56.953 55.803 -0.159 0.000 0.855 352 Q CB -0.251 28.417 28.738 -0.116 0.000 0.918 352 Q HN 0.767 nan 8.270 nan 0.000 0.444 353 I N 0.350 120.765 120.570 -0.257 0.000 2.252 353 I HA -0.264 3.906 4.170 0.000 0.000 0.245 353 I C 2.074 178.023 176.117 -0.281 0.000 1.102 353 I CA 1.091 62.201 61.300 -0.318 0.000 1.385 353 I CB -0.194 37.537 38.000 -0.449 0.000 1.064 353 I HN 0.163 nan 8.210 nan 0.000 0.414 354 I N 0.040 120.468 120.570 -0.237 0.000 2.226 354 I HA -0.238 3.932 4.170 0.000 0.000 0.245 354 I C 2.479 178.441 176.117 -0.259 0.000 1.100 354 I CA 1.150 62.317 61.300 -0.221 0.000 1.374 354 I CB -0.346 37.546 38.000 -0.181 0.000 1.057 354 I HN 0.006 nan 8.210 nan 0.000 0.413 355 V N 0.089 119.850 119.914 -0.255 0.000 2.407 355 V HA -0.248 3.872 4.120 0.000 0.000 0.248 355 V C 2.505 178.386 176.094 -0.354 0.000 1.055 355 V CA 2.041 64.185 62.300 -0.260 0.000 1.049 355 V CB -0.615 31.088 31.823 -0.199 0.000 0.662 355 V HN 0.376 nan 8.190 nan 0.000 0.455 356 S N 0.076 115.476 115.700 -0.501 0.000 2.348 356 S HA -0.148 4.322 4.470 0.000 0.000 0.221 356 S C 1.997 176.085 174.600 -0.853 0.000 1.033 356 S CA 1.409 58.984 58.200 -1.041 0.000 1.010 356 S CB -0.332 62.204 63.200 -1.107 0.000 0.891 356 S HN 0.362 nan 8.310 nan 0.000 0.442 357 I N 2.036 122.341 120.570 -0.442 0.000 2.151 357 I HA -0.197 3.973 4.170 0.000 0.000 0.243 357 I C 2.674 178.724 176.117 -0.112 0.000 1.080 357 I CA 1.687 62.883 61.300 -0.175 0.000 1.339 357 I CB -2.004 35.954 38.000 -0.069 0.000 1.039 357 I HN 0.379 nan 8.210 nan 0.000 0.409 358 G N 0.543 109.227 108.800 -0.193 0.000 2.476 358 G HA2 -0.285 3.675 3.960 0.000 0.000 0.218 358 G HA3 -0.285 3.675 3.960 0.000 0.000 0.218 358 G C 1.754 176.635 174.900 -0.032 0.000 1.164 358 G CA 0.905 45.906 45.100 -0.164 0.000 0.768 358 G HN 0.362 nan 8.290 nan 0.000 0.560 359 L N 0.965 122.165 121.223 -0.037 0.000 2.156 359 L HA 0.330 4.670 4.340 0.000 0.000 0.208 359 L C 3.067 180.199 176.870 0.436 0.000 1.095 359 L CA 1.752 56.701 54.840 0.182 0.000 0.770 359 L CB -0.498 41.634 42.059 0.122 0.000 0.914 359 L HN 0.236 nan 8.230 nan 0.000 0.439 360 A N -0.848 122.187 122.820 0.357 0.000 1.865 360 A HA -0.300 4.020 4.320 0.000 0.000 0.217 360 A C 2.265 180.072 177.584 0.372 0.000 1.191 360 A CA 1.876 54.197 52.037 0.473 0.000 0.623 360 A CB -0.791 18.440 19.000 0.386 0.000 0.826 360 A HN 0.516 nan 8.150 nan 0.000 0.444 361 Q N 0.259 120.199 119.800 0.232 0.000 2.112 361 Q HA -0.209 4.132 4.340 0.000 0.000 0.206 361 Q C 1.984 178.080 176.000 0.159 0.000 0.987 361 Q CA 2.224 58.135 55.803 0.179 0.000 0.858 361 Q CB -0.487 28.325 28.738 0.123 0.000 0.905 361 Q HN 0.804 nan 8.270 nan 0.000 0.420 362 N N -1.202 117.608 118.700 0.184 0.000 2.104 362 N HA -0.199 4.541 4.740 0.000 0.000 0.190 362 N C 1.735 177.340 175.510 0.159 0.000 1.024 362 N CA 1.249 54.390 53.050 0.153 0.000 0.853 362 N CB -0.246 38.387 38.487 0.243 0.000 1.008 362 N HN 0.338 nan 8.380 nan 0.000 0.424 363 F N 1.817 121.869 119.950 0.169 0.000 2.069 363 F HA -0.145 4.382 4.527 0.000 0.000 0.298 363 F C 2.345 178.099 175.800 -0.076 0.000 1.113 363 F CA 1.773 59.722 58.000 -0.085 0.000 1.214 363 F CB -0.713 38.335 39.000 0.080 0.000 0.978 363 F HN 0.071 nan 8.300 nan 0.000 0.474 364 A N 0.471 123.234 122.820 -0.096 0.000 1.933 364 A HA -0.030 4.290 4.320 0.000 0.000 0.218 364 A C 2.419 179.890 177.584 -0.189 0.000 1.175 364 A CA 1.768 53.714 52.037 -0.152 0.000 0.628 364 A CB -1.589 17.484 19.000 0.122 0.000 0.814 364 A HN 0.578 nan 8.150 nan 0.000 0.444 365 A N -0.068 122.686 122.820 -0.111 0.000 1.877 365 A HA -0.054 4.266 4.320 0.000 0.000 0.216 365 A C 2.172 179.672 177.584 -0.139 0.000 1.186 365 A CA 1.552 53.532 52.037 -0.094 0.000 0.620 365 A CB -0.587 18.384 19.000 -0.049 0.000 0.822 365 A HN 0.475 nan 8.150 nan 0.000 0.443 366 L N -0.848 120.251 121.223 -0.206 0.000 2.072 366 L HA -0.149 4.191 4.340 0.000 0.000 0.205 366 L C 2.644 179.358 176.870 -0.260 0.000 1.079 366 L CA 1.824 56.541 54.840 -0.205 0.000 0.752 366 L CB -0.588 41.309 42.059 -0.269 0.000 0.906 366 L HN 0.474 nan 8.230 nan 0.000 0.436 367 K N 0.714 120.856 120.400 -0.431 0.000 2.063 367 K HA -0.201 4.119 4.320 0.000 0.000 0.208 367 K C 2.145 178.601 176.600 -0.240 0.000 1.048 367 K CA 1.511 57.557 56.287 -0.401 0.000 0.928 367 K CB -0.059 32.053 32.500 -0.647 0.000 0.713 367 K HN 0.258 nan 8.250 nan 0.000 0.442 368 A N 1.170 123.858 122.820 -0.221 0.000 1.898 368 A HA -0.098 4.222 4.320 0.000 0.000 0.216 368 A C 2.110 179.630 177.584 -0.106 0.000 1.181 368 A CA 1.204 53.146 52.037 -0.157 0.000 0.620 368 A CB -0.557 18.351 19.000 -0.152 0.000 0.819 368 A HN 0.321 nan 8.150 nan 0.000 0.442 369 L N -0.103 121.066 121.223 -0.089 0.000 2.131 369 L HA -0.124 4.216 4.340 0.000 0.000 0.210 369 L C 2.211 179.057 176.870 -0.040 0.000 1.092 369 L CA 1.416 56.230 54.840 -0.043 0.000 0.759 369 L CB -0.284 41.772 42.059 -0.005 0.000 0.903 369 L HN 0.457 nan 8.230 nan 0.000 0.435 370 V N -5.787 114.088 119.914 -0.065 0.000 3.596 370 V HA 0.226 4.346 4.120 0.000 0.000 0.289 370 V C 0.732 176.787 176.094 -0.066 0.000 1.336 370 V CA -0.309 61.956 62.300 -0.058 0.000 1.137 370 V CB 0.107 31.893 31.823 -0.062 0.000 0.966 370 V HN 0.142 nan 8.190 nan 0.000 0.428 371 S N 0.996 116.652 115.700 -0.072 0.000 2.525 371 S HA 0.505 4.976 4.470 0.000 0.000 0.290 371 S C 0.313 174.883 174.600 -0.051 0.000 1.152 371 S CA 0.079 58.240 58.200 -0.065 0.000 1.072 371 S CB 1.641 64.796 63.200 -0.074 0.000 1.027 371 S HN 0.650 nan 8.310 nan 0.000 0.500 372 T N 0.000 114.529 114.554 -0.042 0.000 3.816 372 T HA 0.000 4.350 4.350 0.000 0.000 0.228 372 T CA 0.000 62.079 62.100 -0.034 0.000 1.349 372 T CB 0.000 68.851 68.868 -0.028 0.000 0.612 372 T HN 0.000 nan 8.240 nan 0.000 0.658