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 3k38_1_N DATA FIRST_RESID 78 DATA SEQUENCE PEWTYPRLSc PGSTFQKALL ISPHRFGETK GNSAPLIIRE PFIAcGPKEc DATA SEQUENCE KHFALTHYAA QPGGYYNGTR GDRNKLRHLI SVKLGKIPTV ENSIFHMAAW DATA SEQUENCE SGSAcHDGKE WTYIGVDGPE NNALLKIKYG EAYTDTYHSY ANNILRTQES DATA SEQUENCE AcNcIGGNcY LMITDGSASG ISECRFLKIR EGRIIKEIFP TGRVKHTEEc DATA SEQUENCE TcGFASNKTI EcAcRDNSYT AKRPFVKLNV ETDTAEIRLM cTETYLDTPR DATA SEQUENCE PDDGSITGPc ESNGDKGSGG IKGGFVHQRM ASKIGRWYSR TMSKTKRMGM DATA SEQUENCE GLYVKYDGDP WTDSDALALS GVMVSMEEPG WYSFGFEIKD KKcDVPcIGI DATA SEQUENCE EMVHDGGKET WHSAATAIYc LMGSGQLLWD TVTGVDMAL 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 78 P HA 0.000 nan 4.420 nan 0.000 0.216 78 P C 0.000 177.181 177.300 -0.199 0.000 1.155 78 P CA 0.000 63.034 63.100 -0.110 0.000 0.800 78 P CB 0.000 31.646 31.700 -0.089 0.000 0.726 79 E N -0.085 120.008 120.200 -0.179 0.000 2.336 79 E HA 0.561 4.912 4.350 0.001 0.000 0.267 79 E C -1.061 175.437 176.600 -0.171 0.000 0.906 79 E CA -0.504 55.744 56.400 -0.252 0.000 0.781 79 E CB 0.922 30.566 29.700 -0.094 0.000 1.261 79 E HN 0.418 nan 8.360 nan 0.000 0.436 80 W N 1.468 122.741 121.300 -0.046 0.000 2.209 80 W HA 0.121 4.782 4.660 0.001 0.000 0.344 80 W C 0.594 176.971 176.519 -0.237 0.000 1.285 80 W CA -0.308 56.935 57.345 -0.170 0.000 1.267 80 W CB 0.374 29.680 29.460 -0.258 0.000 1.167 80 W HN 0.339 nan 8.180 nan 0.000 0.574 81 T N 0.027 114.564 114.554 -0.028 0.000 2.929 81 T HA 0.592 4.943 4.350 0.001 0.000 0.284 81 T C -1.088 173.356 174.700 -0.427 0.000 1.014 81 T CA -0.717 61.322 62.100 -0.103 0.000 1.051 81 T CB 1.150 70.016 68.868 -0.003 0.000 1.028 81 T HN 0.316 nan 8.240 nan 0.000 0.485 82 Y N 0.161 120.415 120.300 -0.076 0.000 2.576 82 Y HA 0.532 5.083 4.550 0.001 0.000 0.346 82 Y C -2.320 173.432 175.900 -0.246 0.000 1.018 82 Y CA -2.801 55.173 58.100 -0.210 0.000 1.050 82 Y CB 1.643 40.015 38.460 -0.147 0.000 1.280 82 Y HN 0.508 nan 8.280 nan 0.000 0.474 83 P HA 0.182 nan 4.420 nan 0.000 0.268 83 P C -0.946 176.323 177.300 -0.053 0.000 1.204 83 P CA -0.009 62.981 63.100 -0.183 0.000 0.768 83 P CB 1.030 32.550 31.700 -0.301 0.000 0.842 84 R N 1.408 121.901 120.500 -0.011 0.000 2.893 84 R HA 0.555 4.895 4.340 0.001 0.000 0.245 84 R C -0.172 176.136 176.300 0.013 0.000 1.192 84 R CA -1.260 54.841 56.100 0.001 0.000 1.077 84 R CB -0.089 30.217 30.300 0.010 0.000 1.253 84 R HN 0.225 nan 8.270 nan 0.000 0.505 85 L N 1.072 122.303 121.223 0.014 0.000 2.525 85 L HA 0.020 4.361 4.340 0.001 0.000 0.278 85 L C 0.006 176.896 176.870 0.034 0.000 1.218 85 L CA 0.930 55.787 54.840 0.028 0.000 0.878 85 L CB 0.407 42.479 42.059 0.022 0.000 1.127 85 L HN 0.584 nan 8.230 nan 0.000 0.492 86 S N 1.344 117.076 115.700 0.053 0.000 2.573 86 S HA 0.093 4.564 4.470 0.001 0.000 0.277 86 S C 0.154 174.773 174.600 0.031 0.000 1.346 86 S CA -0.923 57.305 58.200 0.047 0.000 1.034 86 S CB 0.281 63.530 63.200 0.082 0.000 0.879 86 S HN 0.690 nan 8.310 nan 0.000 0.528 87 c N 3.616 122.219 118.600 0.006 0.000 2.727 87 c HA 0.225 4.796 4.570 0.001 0.000 0.401 87 c C -1.700 172.396 174.090 0.010 0.000 1.294 87 c CA -1.025 55.302 56.329 -0.003 0.000 2.134 87 c CB -1.093 41.399 42.510 -0.030 0.000 2.724 87 c HN 0.611 nan 8.230 nan 0.000 0.677 88 P HA 0.462 nan 4.420 nan 0.000 0.269 88 P C 0.032 177.345 177.300 0.021 0.000 1.209 88 P CA 0.848 63.963 63.100 0.025 0.000 0.776 88 P CB 0.334 32.044 31.700 0.016 0.000 0.876 89 G N -0.311 108.523 108.800 0.056 0.000 2.328 89 G HA2 0.390 4.351 3.960 0.001 0.000 0.299 89 G HA3 0.390 4.351 3.960 0.001 0.000 0.299 89 G C -0.444 174.551 174.900 0.157 0.000 1.435 89 G CA -0.025 45.113 45.100 0.064 0.000 0.865 89 G HN 0.523 nan 8.290 nan 0.000 0.601 90 S N -1.977 113.841 115.700 0.196 0.000 2.800 90 S HA 0.548 5.019 4.470 0.001 0.000 0.266 90 S C 0.205 175.065 174.600 0.433 0.000 1.029 90 S CA 0.890 59.289 58.200 0.333 0.000 1.302 90 S CB 0.928 64.254 63.200 0.210 0.000 1.212 90 S HN 1.500 nan 8.310 nan 0.000 0.683 91 T N 1.166 115.903 114.554 0.305 0.000 2.916 91 T HA 0.676 5.027 4.350 0.001 0.000 0.305 91 T C -1.817 172.992 174.700 0.180 0.000 1.119 91 T CA -0.391 61.900 62.100 0.318 0.000 1.008 91 T CB 0.786 69.799 68.868 0.241 0.000 1.129 91 T HN 0.102 nan 8.240 nan 0.000 0.480 92 F N 3.060 122.905 119.950 -0.174 0.000 2.375 92 F HA 0.598 5.126 4.527 0.001 0.000 0.333 92 F C 0.898 176.728 175.800 0.051 0.000 1.104 92 F CA -0.385 57.519 58.000 -0.160 0.000 1.149 92 F CB 1.197 40.070 39.000 -0.211 0.000 1.190 92 F HN 0.360 nan 8.300 nan 0.000 0.533 93 Q N 0.982 120.884 119.800 0.171 0.000 2.451 93 Q HA 0.226 4.567 4.340 0.001 0.000 0.281 93 Q C -0.836 175.135 176.000 -0.050 0.000 1.099 93 Q CA -1.197 54.696 55.803 0.150 0.000 0.806 93 Q CB 2.401 31.159 28.738 0.033 0.000 1.419 93 Q HN 0.507 nan 8.270 nan 0.000 0.427 94 K N 0.739 120.979 120.400 -0.268 0.000 2.430 94 K HA 0.145 4.466 4.320 0.001 0.000 0.280 94 K C 0.214 176.583 176.600 -0.385 0.000 1.063 94 K CA 0.422 56.221 56.287 -0.814 0.000 1.071 94 K CB 0.298 32.583 32.500 -0.358 0.000 0.899 94 K HN 0.705 nan 8.250 nan 0.000 0.473 95 A N 4.843 127.431 122.820 -0.386 0.000 1.944 95 A HA 0.184 4.505 4.320 0.001 0.000 0.209 95 A C -0.121 177.399 177.584 -0.106 0.000 1.328 95 A CA 0.276 52.209 52.037 -0.173 0.000 0.693 95 A CB 0.244 19.171 19.000 -0.121 0.000 0.994 95 A HN 0.593 nan 8.150 nan 0.000 0.485 96 L N -1.001 120.164 121.223 -0.096 0.000 2.565 96 L HA 0.648 4.988 4.340 0.001 0.000 0.261 96 L C -1.806 175.054 176.870 -0.016 0.000 0.932 96 L CA -0.496 54.324 54.840 -0.034 0.000 0.878 96 L CB 2.060 44.113 42.059 -0.009 0.000 1.333 96 L HN 0.263 nan 8.230 nan 0.000 0.409 97 L N 5.749 126.974 121.223 0.004 0.000 2.296 97 L HA 0.668 5.009 4.340 0.001 0.000 0.286 97 L C -1.230 175.664 176.870 0.040 0.000 1.023 97 L CA -0.162 54.697 54.840 0.031 0.000 0.812 97 L CB 1.219 43.299 42.059 0.034 0.000 1.223 97 L HN 0.478 nan 8.230 nan 0.000 0.421 98 I N 4.489 125.087 120.570 0.046 0.000 2.337 98 I HA 0.253 4.424 4.170 0.001 0.000 0.285 98 I C 0.128 176.319 176.117 0.122 0.000 1.041 98 I CA 0.005 61.350 61.300 0.074 0.000 1.199 98 I CB 0.791 38.818 38.000 0.045 0.000 1.370 98 I HN 0.654 nan 8.210 nan 0.000 0.470 99 S N 8.617 124.382 115.700 0.107 0.000 2.328 99 S HA 0.432 4.903 4.470 0.001 0.000 0.204 99 S C -1.594 173.026 174.600 0.034 0.000 1.475 99 S CA -1.247 57.015 58.200 0.103 0.000 1.148 99 S CB 0.627 63.859 63.200 0.054 0.000 1.077 99 S HN 0.297 nan 8.310 nan 0.000 0.479 100 P HA -0.031 nan 4.420 nan 0.000 0.221 100 P C 0.798 177.934 177.300 -0.273 0.000 1.150 100 P CA 0.853 63.907 63.100 -0.077 0.000 0.800 100 P CB 0.016 31.570 31.700 -0.243 0.000 0.787 101 H N -1.142 117.855 119.070 -0.122 0.000 2.547 101 H HA 0.195 4.752 4.556 0.001 0.000 0.266 101 H C 1.594 176.724 175.328 -0.330 0.000 0.988 101 H CA 0.341 56.214 56.048 -0.292 0.000 1.147 101 H CB 0.080 29.565 29.762 -0.462 0.000 1.365 101 H HN 0.035 nan 8.280 nan 0.000 0.589 102 R N 0.486 120.756 120.500 -0.383 0.000 2.341 102 R HA -0.066 4.275 4.340 0.001 0.000 0.213 102 R C 0.283 176.095 176.300 -0.814 0.000 1.082 102 R CA 0.570 56.291 56.100 -0.631 0.000 1.017 102 R CB -0.241 29.537 30.300 -0.870 0.000 0.860 102 R HN 0.303 nan 8.270 nan 0.000 0.473 103 F N -2.358 117.539 119.950 -0.087 0.000 2.729 103 F HA 0.325 4.853 4.527 0.001 0.000 0.315 103 F C 1.688 177.421 175.800 -0.113 0.000 1.102 103 F CA -0.409 57.536 58.000 -0.090 0.000 1.204 103 F CB 0.279 39.223 39.000 -0.092 0.000 1.052 103 F HN -0.137 nan 8.300 nan 0.000 0.551 104 G N 0.085 108.853 108.800 -0.053 0.000 3.314 104 G HA2 0.129 4.090 3.960 0.001 0.000 0.238 104 G HA3 0.129 4.090 3.960 0.001 0.000 0.238 104 G C 0.115 174.964 174.900 -0.084 0.000 1.184 104 G CA -0.210 44.824 45.100 -0.110 0.000 0.806 104 G HN 0.182 nan 8.290 nan 0.000 0.536 105 E N -0.357 119.828 120.200 -0.025 0.000 2.404 105 E HA 0.261 4.612 4.350 0.001 0.000 0.261 105 E C 1.315 177.925 176.600 0.016 0.000 1.074 105 E CA 0.030 56.432 56.400 0.004 0.000 0.917 105 E CB 0.668 30.378 29.700 0.017 0.000 0.965 105 E HN -0.028 nan 8.360 nan 0.000 0.433 106 T N 1.954 116.527 114.554 0.032 0.000 2.833 106 T HA -0.126 4.224 4.350 0.001 0.000 0.269 106 T C 1.202 175.916 174.700 0.023 0.000 1.054 106 T CA 0.949 63.069 62.100 0.032 0.000 1.135 106 T CB 0.023 68.917 68.868 0.043 0.000 0.869 106 T HN 0.266 nan 8.240 nan 0.000 0.466 107 K N 1.040 121.455 120.400 0.025 0.000 2.432 107 K HA 0.136 4.457 4.320 0.001 0.000 0.196 107 K C 1.387 178.001 176.600 0.023 0.000 1.038 107 K CA 0.097 56.397 56.287 0.022 0.000 0.986 107 K CB -0.341 32.173 32.500 0.023 0.000 0.782 107 K HN 0.397 nan 8.250 nan 0.000 0.485 108 G N 0.887 109.704 108.800 0.028 0.000 2.543 108 G HA2 0.098 4.059 3.960 0.001 0.000 0.290 108 G HA3 0.098 4.059 3.960 0.001 0.000 0.290 108 G C 0.166 175.079 174.900 0.020 0.000 1.310 108 G CA -0.440 44.681 45.100 0.035 0.000 1.025 108 G HN 0.101 nan 8.290 nan 0.000 0.502 109 N N -0.599 118.111 118.700 0.016 0.000 2.365 109 N HA 0.222 4.963 4.740 0.001 0.000 0.257 109 N C -0.400 175.100 175.510 -0.017 0.000 1.287 109 N CA -0.166 52.882 53.050 -0.003 0.000 0.882 109 N CB 1.144 39.624 38.487 -0.012 0.000 1.250 109 N HN 0.258 nan 8.380 nan 0.000 0.507 110 S N -0.145 115.553 115.700 -0.004 0.000 2.726 110 S HA 0.778 5.249 4.470 0.001 0.000 0.308 110 S C 0.039 174.626 174.600 -0.022 0.000 1.115 110 S CA -0.698 57.488 58.200 -0.024 0.000 0.965 110 S CB 2.312 65.509 63.200 -0.006 0.000 1.145 110 S HN 0.188 nan 8.310 nan 0.000 0.532 111 A N 2.222 125.018 122.820 -0.041 0.000 3.355 111 A HA 0.491 4.812 4.320 0.001 0.000 0.290 111 A C -2.891 174.653 177.584 -0.066 0.000 0.973 111 A CA -1.392 50.623 52.037 -0.036 0.000 0.933 111 A CB -0.078 18.912 19.000 -0.018 0.000 1.138 111 A HN 0.460 nan 8.150 nan 0.000 0.490 112 P HA 0.118 nan 4.420 nan 0.000 0.267 112 P C -0.088 177.117 177.300 -0.159 0.000 1.205 112 P CA 0.432 63.401 63.100 -0.219 0.000 0.765 112 P CB 0.785 32.190 31.700 -0.493 0.000 0.828 113 L N 4.099 125.253 121.223 -0.116 0.000 2.416 113 L HA 0.193 4.534 4.340 0.001 0.000 0.272 113 L C 1.121 178.044 176.870 0.088 0.000 1.161 113 L CA -0.529 54.301 54.840 -0.017 0.000 0.845 113 L CB 0.073 42.088 42.059 -0.073 0.000 1.119 113 L HN 0.278 nan 8.230 nan 0.000 0.464 114 I N 4.819 125.500 120.570 0.185 0.000 2.505 114 I HA 0.091 4.262 4.170 0.001 0.000 0.287 114 I C 0.123 176.377 176.117 0.228 0.000 1.104 114 I CA 0.240 61.699 61.300 0.265 0.000 1.387 114 I CB 0.248 38.416 38.000 0.280 0.000 1.404 114 I HN 0.437 nan 8.210 nan 0.000 0.528 115 I N 4.805 125.499 120.570 0.207 0.000 3.264 115 I HA 0.774 4.945 4.170 0.001 0.000 0.315 115 I C -0.450 175.724 176.117 0.096 0.000 1.154 115 I CA -0.763 60.603 61.300 0.110 0.000 0.962 115 I CB 2.023 40.032 38.000 0.015 0.000 1.265 115 I HN 0.426 nan 8.210 nan 0.000 0.463 116 R N -0.055 120.474 120.500 0.048 0.000 2.756 116 R HA 0.320 4.661 4.340 0.001 0.000 0.273 116 R C -1.229 175.099 176.300 0.046 0.000 1.030 116 R CA -0.954 55.156 56.100 0.016 0.000 0.887 116 R CB 1.382 31.694 30.300 0.019 0.000 1.274 116 R HN 0.787 nan 8.270 nan 0.000 0.461 117 E N 0.492 120.718 120.200 0.042 0.000 2.183 117 E HA -0.165 4.186 4.350 0.001 0.000 0.196 117 E C -2.451 174.288 176.600 0.232 0.000 1.364 117 E CA 0.552 57.061 56.400 0.183 0.000 0.700 117 E CB -1.045 28.795 29.700 0.234 0.000 1.106 117 E HN 0.220 nan 8.360 nan 0.000 0.347 118 P HA 0.360 nan 4.420 nan 0.000 0.274 118 P C -0.242 177.026 177.300 -0.053 0.000 1.246 118 P CA -0.211 62.943 63.100 0.089 0.000 0.795 118 P CB 0.568 32.403 31.700 0.225 0.000 1.006 119 F N -1.593 118.110 119.950 -0.412 0.000 2.773 119 F HA 0.687 5.215 4.527 0.001 0.000 0.314 119 F C -1.709 173.868 175.800 -0.372 0.000 1.160 119 F CA -1.290 56.012 58.000 -1.162 0.000 0.920 119 F CB 0.765 39.273 39.000 -0.820 0.000 1.323 119 F HN 0.041 nan 8.300 nan 0.000 0.457 120 I N 1.698 122.154 120.570 -0.189 0.000 2.608 120 I HA 0.817 4.988 4.170 0.001 0.000 0.295 120 I C -0.767 175.459 176.117 0.182 0.000 1.049 120 I CA -1.140 60.090 61.300 -0.115 0.000 1.063 120 I CB 2.039 39.592 38.000 -0.745 0.000 1.248 120 I HN 0.990 nan 8.210 nan 0.000 0.424 121 A N 4.495 127.536 122.820 0.368 0.000 2.486 121 A HA 0.806 5.127 4.320 0.001 0.000 0.300 121 A C -1.426 176.516 177.584 0.596 0.000 1.048 121 A CA -0.413 51.948 52.037 0.540 0.000 0.696 121 A CB 1.556 20.971 19.000 0.691 0.000 1.278 121 A HN 0.745 nan 8.150 nan 0.000 0.405 122 c N 1.162 120.032 118.600 0.451 0.000 2.498 122 c HA 0.877 5.448 4.570 0.001 0.000 0.316 122 c C 1.042 175.181 174.090 0.082 0.000 1.209 122 c CA -0.167 56.360 56.329 0.331 0.000 1.518 122 c CB 1.178 43.859 42.510 0.286 0.000 2.147 122 c HN 1.199 nan 8.230 nan 0.000 0.483 123 G N 2.105 110.843 108.800 -0.104 0.000 2.753 123 G HA2 0.601 4.562 3.960 0.001 0.000 0.285 123 G HA3 0.601 4.562 3.960 0.001 0.000 0.285 123 G C -1.605 173.137 174.900 -0.263 0.000 1.344 123 G CA -0.693 44.079 45.100 -0.547 0.000 1.050 123 G HN 0.449 nan 8.290 nan 0.000 0.532 124 P HA -0.029 nan 4.420 nan 0.000 0.226 124 P C 0.732 177.989 177.300 -0.072 0.000 1.153 124 P CA 1.304 64.334 63.100 -0.116 0.000 0.777 124 P CB 0.205 31.852 31.700 -0.088 0.000 0.794 125 K N -2.202 118.148 120.400 -0.085 0.000 2.491 125 K HA 0.307 4.628 4.320 0.001 0.000 0.211 125 K C 0.616 177.228 176.600 0.020 0.000 1.210 125 K CA -0.330 55.945 56.287 -0.020 0.000 1.003 125 K CB 0.983 33.476 32.500 -0.012 0.000 1.009 125 K HN -0.084 nan 8.250 nan 0.000 0.577 126 E N 0.424 120.652 120.200 0.047 0.000 2.366 126 E HA 0.353 4.704 4.350 0.001 0.000 0.278 126 E C -1.556 175.154 176.600 0.184 0.000 0.923 126 E CA -0.992 55.474 56.400 0.110 0.000 0.761 126 E CB 2.330 32.118 29.700 0.147 0.000 1.231 126 E HN 0.218 nan 8.360 nan 0.000 0.443 127 c N 2.902 121.593 118.600 0.152 0.000 2.351 127 c HA 0.496 5.066 4.570 0.001 0.000 0.326 127 c C -0.292 173.837 174.090 0.065 0.000 1.272 127 c CA -0.668 55.767 56.329 0.177 0.000 1.650 127 c CB 0.453 43.041 42.510 0.130 0.000 2.257 127 c HN 0.515 nan 8.230 nan 0.000 0.505 128 K N 1.735 122.157 120.400 0.037 0.000 2.206 128 K HA 0.280 4.601 4.320 0.001 0.000 0.264 128 K C -0.320 176.082 176.600 -0.331 0.000 0.967 128 K CA -0.285 55.806 56.287 -0.327 0.000 0.844 128 K CB 0.957 32.961 32.500 -0.826 0.000 1.099 128 K HN 0.808 nan 8.250 nan 0.000 0.441 129 H N 4.339 123.112 119.070 -0.494 0.000 2.705 129 H HA 0.173 4.730 4.556 0.001 0.000 0.291 129 H C -0.954 173.998 175.328 -0.627 0.000 1.085 129 H CA -0.599 55.196 56.048 -0.421 0.000 1.357 129 H CB 0.248 29.853 29.762 -0.263 0.000 1.419 129 H HN 0.356 nan 8.280 nan 0.000 0.462 130 F N 2.932 122.512 119.950 -0.617 0.000 2.450 130 F HA 0.635 5.163 4.527 0.001 0.000 0.328 130 F C 0.355 175.692 175.800 -0.773 0.000 1.068 130 F CA -0.202 57.300 58.000 -0.830 0.000 1.007 130 F CB 1.793 39.977 39.000 -1.360 0.000 1.251 130 F HN 0.618 nan 8.300 nan 0.000 0.492 131 A N 0.987 123.619 122.820 -0.315 0.000 2.566 131 A HA 0.729 5.050 4.320 0.001 0.000 0.290 131 A C -2.060 175.477 177.584 -0.079 0.000 1.071 131 A CA -0.830 51.098 52.037 -0.182 0.000 0.658 131 A CB 1.027 19.888 19.000 -0.231 0.000 1.285 131 A HN 0.652 nan 8.150 nan 0.000 0.427 132 L N 1.248 122.463 121.223 -0.013 0.000 2.272 132 L HA 0.598 4.939 4.340 0.001 0.000 0.289 132 L C 0.419 177.256 176.870 -0.054 0.000 1.032 132 L CA -0.416 54.420 54.840 -0.007 0.000 0.810 132 L CB 1.678 43.767 42.059 0.050 0.000 1.205 132 L HN 0.776 nan 8.230 nan 0.000 0.422 133 T N 0.216 114.729 114.554 -0.068 0.000 2.929 133 T HA 0.259 4.610 4.350 0.001 0.000 0.284 133 T C 0.702 175.417 174.700 0.025 0.000 1.014 133 T CA -0.405 61.674 62.100 -0.035 0.000 1.051 133 T CB 0.665 69.455 68.868 -0.131 0.000 1.028 133 T HN 0.530 nan 8.240 nan 0.000 0.485 134 H N 3.233 122.415 119.070 0.188 0.000 2.555 134 H HA 0.072 4.629 4.556 0.001 0.000 0.283 134 H C -0.269 175.248 175.328 0.316 0.000 1.037 134 H CA 0.099 56.295 56.048 0.248 0.000 1.169 134 H CB -0.286 29.612 29.762 0.226 0.000 1.375 134 H HN 0.785 nan 8.280 nan 0.000 0.582 135 Y N -0.029 120.413 120.300 0.237 0.000 3.234 135 Y HA -0.215 4.336 4.550 0.001 0.000 0.207 135 Y C -0.182 175.800 175.900 0.136 0.000 1.316 135 Y CA 0.327 58.541 58.100 0.189 0.000 1.309 135 Y CB -1.389 37.126 38.460 0.092 0.000 1.408 135 Y HN 0.425 nan 8.280 nan 0.000 0.544 136 A N -0.119 122.891 122.820 0.317 0.000 2.589 136 A HA 0.974 5.295 4.320 0.001 0.000 0.296 136 A C -0.993 176.743 177.584 0.254 0.000 1.062 136 A CA -0.177 52.050 52.037 0.317 0.000 0.686 136 A CB 1.017 20.248 19.000 0.385 0.000 1.282 136 A HN 1.237 nan 8.150 nan 0.000 0.404 137 A N 0.596 123.560 122.820 0.239 0.000 2.387 137 A HA 0.856 5.177 4.320 0.001 0.000 0.303 137 A C -0.591 177.095 177.584 0.170 0.000 1.145 137 A CA -0.576 51.553 52.037 0.153 0.000 0.801 137 A CB 1.514 20.569 19.000 0.092 0.000 1.342 137 A HN 0.888 nan 8.150 nan 0.000 0.440 138 Q N 1.085 120.903 119.800 0.029 0.000 2.331 138 Q HA 0.454 4.795 4.340 0.001 0.000 0.267 138 Q C -2.687 173.272 176.000 -0.069 0.000 1.006 138 Q CA -2.179 53.577 55.803 -0.078 0.000 0.818 138 Q CB 2.238 30.661 28.738 -0.525 0.000 1.276 138 Q HN 0.542 nan 8.270 nan 0.000 0.450 139 P HA 0.361 nan 4.420 nan 0.000 0.274 139 P C -0.561 176.799 177.300 0.102 0.000 1.231 139 P CA 0.132 63.289 63.100 0.095 0.000 0.790 139 P CB 1.471 33.205 31.700 0.056 0.000 0.951 140 G N -0.315 108.529 108.800 0.073 0.000 2.548 140 G HA2 0.492 4.453 3.960 0.001 0.000 0.301 140 G HA3 0.492 4.453 3.960 0.001 0.000 0.301 140 G C -0.211 174.397 174.900 -0.487 0.000 1.349 140 G CA -0.204 44.854 45.100 -0.071 0.000 0.792 140 G HN 0.458 nan 8.290 nan 0.000 0.481 141 G N -1.580 106.923 108.800 -0.495 0.000 3.377 141 G HA2 0.360 4.321 3.960 0.001 0.000 0.257 141 G HA3 0.360 4.321 3.960 0.001 0.000 0.257 141 G C -0.233 174.215 174.900 -0.753 0.000 1.038 141 G CA 0.138 44.807 45.100 -0.718 0.000 0.809 141 G HN 0.337 nan 8.290 nan 0.000 0.526 142 Y N 0.481 120.704 120.300 -0.128 0.000 2.722 142 Y HA 0.354 4.905 4.550 0.002 0.000 0.314 142 Y C 0.985 177.002 175.900 0.195 0.000 1.008 142 Y CA -1.531 56.591 58.100 0.037 0.000 1.294 142 Y CB 0.048 38.563 38.460 0.092 0.000 1.231 142 Y HN 0.116 nan 8.280 nan 0.000 0.558 143 Y N -0.939 119.450 120.300 0.150 0.000 2.314 143 Y HA -0.107 4.444 4.550 0.001 0.000 0.293 143 Y C 1.217 177.169 175.900 0.087 0.000 1.129 143 Y CA -0.236 57.953 58.100 0.148 0.000 1.201 143 Y CB -0.589 37.975 38.460 0.174 0.000 0.999 143 Y HN 0.193 nan 8.280 nan 0.000 0.541 144 N N 0.501 119.331 118.700 0.217 0.000 2.440 144 N HA 0.249 4.990 4.740 0.001 0.000 0.265 144 N C 1.036 176.597 175.510 0.085 0.000 1.239 144 N CA 1.388 54.510 53.050 0.121 0.000 0.909 144 N CB 0.338 38.877 38.487 0.086 0.000 1.066 144 N HN 0.515 nan 8.380 nan 0.000 0.474 145 G N 1.747 110.559 108.800 0.021 0.000 2.176 145 G HA2 -0.286 3.675 3.960 0.001 0.000 0.232 145 G HA3 -0.286 3.675 3.960 0.001 0.000 0.232 145 G C 0.821 175.596 174.900 -0.209 0.000 0.986 145 G CA 0.595 45.676 45.100 -0.032 0.000 0.643 145 G HN 0.748 nan 8.290 nan 0.000 0.522 146 T N -2.080 112.322 114.554 -0.252 0.000 3.081 146 T HA 0.247 4.598 4.350 0.001 0.000 0.255 146 T C 1.934 176.473 174.700 -0.268 0.000 1.113 146 T CA 0.987 62.737 62.100 -0.583 0.000 1.082 146 T CB -0.021 68.737 68.868 -0.184 0.000 0.939 146 T HN 0.372 nan 8.240 nan 0.000 0.506 147 R N 1.044 121.414 120.500 -0.215 0.000 2.193 147 R HA 0.177 4.518 4.340 0.001 0.000 0.213 147 R C 1.524 177.750 176.300 -0.122 0.000 1.055 147 R CA 0.490 56.382 56.100 -0.347 0.000 0.995 147 R CB -0.348 29.719 30.300 -0.388 0.000 0.893 147 R HN 0.518 nan 8.270 nan 0.000 0.459 148 G N 0.030 108.811 108.800 -0.031 0.000 2.572 148 G HA2 -0.015 3.946 3.960 0.001 0.000 0.261 148 G HA3 -0.015 3.946 3.960 0.001 0.000 0.261 148 G C -0.126 174.903 174.900 0.215 0.000 1.197 148 G CA -0.452 44.685 45.100 0.062 0.000 0.870 148 G HN 0.018 nan 8.290 nan 0.000 0.548 149 D N -0.400 120.080 120.400 0.133 0.000 2.338 149 D HA 0.033 4.674 4.640 0.001 0.000 0.224 149 D C 0.911 177.257 176.300 0.076 0.000 0.967 149 D CA 0.561 54.644 54.000 0.139 0.000 0.896 149 D CB 0.429 41.285 40.800 0.094 0.000 1.028 149 D HN 0.258 nan 8.370 nan 0.000 0.493 150 R N 1.544 121.977 120.500 -0.113 0.000 2.229 150 R HA 0.379 4.720 4.340 0.001 0.000 0.328 150 R C -0.473 175.791 176.300 -0.060 0.000 1.009 150 R CA -0.295 55.590 56.100 -0.357 0.000 0.864 150 R CB 0.852 30.639 30.300 -0.855 0.000 1.085 150 R HN 0.182 nan 8.270 nan 0.000 0.453 151 N N -0.024 118.758 118.700 0.136 0.000 3.116 151 N HA 0.112 4.853 4.740 0.001 0.000 0.244 151 N C -0.601 175.067 175.510 0.265 0.000 1.485 151 N CA -1.054 52.105 53.050 0.181 0.000 0.884 151 N CB 0.896 39.502 38.487 0.197 0.000 1.415 151 N HN 0.123 nan 8.380 nan 0.000 0.524 152 K N -0.350 120.167 120.400 0.195 0.000 2.486 152 K HA 0.264 4.585 4.320 0.001 0.000 0.194 152 K C 0.593 177.309 176.600 0.194 0.000 1.033 152 K CA 0.604 56.997 56.287 0.178 0.000 1.004 152 K CB -0.263 32.304 32.500 0.112 0.000 0.798 152 K HN 0.426 nan 8.250 nan 0.000 0.495 153 L N -0.196 121.167 121.223 0.232 0.000 2.556 153 L HA 0.123 4.464 4.340 0.001 0.000 0.226 153 L C 0.799 177.987 176.870 0.531 0.000 1.089 153 L CA -0.304 54.707 54.840 0.285 0.000 0.864 153 L CB 0.227 42.392 42.059 0.177 0.000 1.067 153 L HN -0.049 nan 8.230 nan 0.000 0.477 154 R N 0.169 120.907 120.500 0.396 0.000 2.570 154 R HA 0.163 4.504 4.340 0.001 0.000 0.277 154 R C -1.082 175.412 176.300 0.323 0.000 1.039 154 R CA 0.498 56.786 56.100 0.313 0.000 1.065 154 R CB 0.104 30.532 30.300 0.213 0.000 0.964 154 R HN 0.031 nan 8.270 nan 0.000 0.428 155 H N 1.776 120.924 119.070 0.131 0.000 2.894 155 H HA 0.308 4.865 4.556 0.001 0.000 0.367 155 H C -1.346 173.974 175.328 -0.014 0.000 1.144 155 H CA -0.795 55.319 56.048 0.109 0.000 1.180 155 H CB 1.376 31.276 29.762 0.231 0.000 1.758 155 H HN 0.406 nan 8.280 nan 0.000 0.541 156 L N 4.508 125.772 121.223 0.068 0.000 2.361 156 L HA 0.388 4.729 4.340 0.001 0.000 0.278 156 L C -0.761 176.116 176.870 0.011 0.000 1.113 156 L CA -0.082 54.791 54.840 0.055 0.000 0.849 156 L CB -0.574 41.540 42.059 0.091 0.000 1.155 156 L HN 0.598 nan 8.230 nan 0.000 0.452 157 I N 2.248 122.743 120.570 -0.125 0.000 2.957 157 I HA 0.963 5.134 4.170 0.001 0.000 0.310 157 I C -0.404 175.568 176.117 -0.241 0.000 1.063 157 I CA -0.414 60.693 61.300 -0.322 0.000 1.033 157 I CB 2.235 39.797 38.000 -0.730 0.000 1.230 157 I HN 0.638 nan 8.210 nan 0.000 0.447 158 S N 2.169 117.639 115.700 -0.382 0.000 2.550 158 S HA 0.882 5.352 4.470 0.001 0.000 0.270 158 S C -0.817 173.492 174.600 -0.485 0.000 1.145 158 S CA -0.317 57.524 58.200 -0.599 0.000 0.852 158 S CB 1.363 63.956 63.200 -1.011 0.000 1.119 158 S HN 1.653 nan 8.310 nan 0.000 0.465 159 V N -0.670 118.971 119.914 -0.455 0.000 3.074 159 V HA 0.691 4.811 4.120 0.001 0.000 0.314 159 V C -0.131 175.794 176.094 -0.282 0.000 1.117 159 V CA -1.339 60.778 62.300 -0.306 0.000 1.014 159 V CB 1.511 33.213 31.823 -0.202 0.000 1.057 159 V HN 1.213 nan 8.190 nan 0.000 0.438 160 K N 1.748 122.031 120.400 -0.196 0.000 2.447 160 K HA 0.209 4.529 4.320 0.001 0.000 0.281 160 K C -0.256 176.291 176.600 -0.089 0.000 1.031 160 K CA -0.483 55.722 56.287 -0.137 0.000 1.019 160 K CB 0.558 33.006 32.500 -0.088 0.000 0.918 160 K HN 0.764 nan 8.250 nan 0.000 0.476 161 L N 5.189 126.369 121.223 -0.071 0.000 2.628 161 L HA 0.019 4.360 4.340 0.001 0.000 0.274 161 L C 1.018 177.868 176.870 -0.034 0.000 1.209 161 L CA 2.236 57.045 54.840 -0.052 0.000 0.930 161 L CB 0.133 42.157 42.059 -0.059 0.000 1.183 161 L HN 1.009 nan 8.230 nan 0.000 0.492 162 G N 2.755 111.537 108.800 -0.030 0.000 2.284 162 G HA2 -0.172 3.789 3.960 0.001 0.000 0.201 162 G HA3 -0.172 3.789 3.960 0.001 0.000 0.201 162 G C 0.193 175.085 174.900 -0.014 0.000 0.998 162 G CA -0.262 44.828 45.100 -0.016 0.000 0.651 162 G HN 0.529 nan 8.290 nan 0.000 0.489 163 K N 1.093 121.479 120.400 -0.023 0.000 2.118 163 K HA 0.568 4.889 4.320 0.001 0.000 0.267 163 K C 0.461 177.051 176.600 -0.016 0.000 0.991 163 K CA -0.741 55.524 56.287 -0.038 0.000 0.916 163 K CB 1.368 33.828 32.500 -0.067 0.000 1.041 163 K HN 0.175 nan 8.250 nan 0.000 0.455 164 I N 4.634 125.184 120.570 -0.034 0.000 2.396 164 I HA 0.085 4.256 4.170 0.001 0.000 0.289 164 I C -1.899 174.181 176.117 -0.062 0.000 1.056 164 I CA -2.599 58.693 61.300 -0.014 0.000 1.365 164 I CB 0.476 38.464 38.000 -0.020 0.000 1.407 164 I HN 0.130 nan 8.210 nan 0.000 0.509 165 P HA 0.076 nan 4.420 nan 0.000 0.263 165 P C 0.031 177.248 177.300 -0.139 0.000 1.601 165 P CA -0.030 62.985 63.100 -0.142 0.000 1.161 165 P CB -0.474 31.108 31.700 -0.198 0.000 1.730 166 T N -1.849 112.633 114.554 -0.120 0.000 2.923 166 T HA 0.253 4.603 4.350 0.001 0.000 0.281 166 T C 1.455 176.112 174.700 -0.071 0.000 0.995 166 T CA -0.739 61.302 62.100 -0.098 0.000 0.985 166 T CB 0.448 69.260 68.868 -0.094 0.000 1.114 166 T HN -0.080 nan 8.240 nan 0.000 0.548 167 V N 1.141 121.036 119.914 -0.032 0.000 2.278 167 V HA -0.208 3.913 4.120 0.001 0.000 0.251 167 V C 2.716 178.818 176.094 0.013 0.000 1.062 167 V CA 2.332 64.643 62.300 0.018 0.000 1.038 167 V CB -0.945 30.888 31.823 0.016 0.000 0.646 167 V HN 0.930 nan 8.190 nan 0.000 0.447 168 E N -0.584 119.599 120.200 -0.028 0.000 2.102 168 E HA -0.098 4.253 4.350 0.001 0.000 0.190 168 E C 2.052 178.619 176.600 -0.055 0.000 0.971 168 E CA 0.695 57.072 56.400 -0.039 0.000 0.821 168 E CB -0.189 29.482 29.700 -0.049 0.000 0.777 168 E HN 0.509 nan 8.360 nan 0.000 0.460 169 N N 0.726 119.381 118.700 -0.076 0.000 2.309 169 N HA -0.035 4.706 4.740 0.001 0.000 0.182 169 N C 0.333 175.769 175.510 -0.124 0.000 1.018 169 N CA 0.495 53.486 53.050 -0.098 0.000 0.876 169 N CB 0.064 38.486 38.487 -0.107 0.000 0.972 169 N HN -0.085 nan 8.380 nan 0.000 0.434 170 S N 0.159 115.782 115.700 -0.127 0.000 2.617 170 S HA 0.364 4.835 4.470 0.001 0.000 0.269 170 S C 0.191 174.690 174.600 -0.169 0.000 1.292 170 S CA -0.560 57.514 58.200 -0.209 0.000 1.010 170 S CB 1.587 64.607 63.200 -0.300 0.000 0.944 170 S HN 0.151 nan 8.310 nan 0.000 0.536 171 I N 1.522 121.912 120.570 -0.301 0.000 2.433 171 I HA 0.459 4.630 4.170 0.001 0.000 0.292 171 I C -1.502 174.347 176.117 -0.447 0.000 1.001 171 I CA -0.958 60.162 61.300 -0.300 0.000 1.119 171 I CB 0.742 38.497 38.000 -0.408 0.000 1.289 171 I HN 0.480 nan 8.210 nan 0.000 0.438 172 F N 6.851 126.574 119.950 -0.378 0.000 2.421 172 F HA 0.300 4.828 4.527 0.001 0.000 0.358 172 F C 1.339 176.991 175.800 -0.246 0.000 1.115 172 F CA -0.198 57.649 58.000 -0.254 0.000 1.160 172 F CB 0.545 39.446 39.000 -0.166 0.000 1.123 172 F HN 0.556 nan 8.300 nan 0.000 0.508 173 H N 3.699 122.768 119.070 -0.002 0.000 2.370 173 H HA 0.202 4.759 4.556 0.001 0.000 0.304 173 H C 0.498 175.879 175.328 0.087 0.000 1.055 173 H CA 1.185 57.172 56.048 -0.102 0.000 1.373 173 H CB 0.587 30.152 29.762 -0.327 0.000 1.423 173 H HN 0.566 nan 8.280 nan 0.000 0.533 174 M N -1.229 118.535 119.600 0.273 0.000 2.660 174 M HA 0.542 5.022 4.480 0.001 0.000 0.281 174 M C -1.683 174.560 176.300 -0.095 0.000 1.131 174 M CA -0.872 54.556 55.300 0.214 0.000 0.858 174 M CB 2.128 34.901 32.600 0.287 0.000 1.732 174 M HN -0.063 nan 8.290 nan 0.000 0.516 175 A N 2.053 124.632 122.820 -0.402 0.000 2.546 175 A HA 0.663 4.983 4.320 0.001 0.000 0.243 175 A C 0.087 177.459 177.584 -0.353 0.000 1.063 175 A CA 0.550 52.130 52.037 -0.761 0.000 0.757 175 A CB -0.631 18.107 19.000 -0.436 0.000 0.991 175 A HN 1.927 nan 8.150 nan 0.000 0.503 176 A N 3.012 125.660 122.820 -0.288 0.000 2.560 176 A HA 0.526 4.847 4.320 0.001 0.000 0.300 176 A C -0.171 177.351 177.584 -0.104 0.000 1.062 176 A CA -0.249 51.629 52.037 -0.265 0.000 0.767 176 A CB 0.277 19.187 19.000 -0.150 0.000 1.288 176 A HN 1.529 nan 8.150 nan 0.000 0.396 177 W N 1.536 122.842 121.300 0.011 0.000 3.132 177 W HA 0.545 5.205 4.660 0.001 0.000 0.364 177 W C 0.005 176.549 176.519 0.042 0.000 1.129 177 W CA 0.242 57.599 57.345 0.020 0.000 1.815 177 W CB 0.206 29.684 29.460 0.030 0.000 1.099 177 W HN 0.803 nan 8.180 nan 0.000 0.605 178 S N 0.456 116.230 115.700 0.124 0.000 2.543 178 S HA 0.706 5.177 4.470 0.001 0.000 0.271 178 S C -0.615 173.988 174.600 0.005 0.000 1.148 178 S CA -0.113 58.178 58.200 0.152 0.000 0.914 178 S CB 1.421 64.764 63.200 0.238 0.000 1.096 178 S HN 0.287 nan 8.310 nan 0.000 0.471 179 G N 1.156 109.986 108.800 0.050 0.000 2.672 179 G HA2 0.790 4.751 3.960 0.001 0.000 0.292 179 G HA3 0.790 4.751 3.960 0.001 0.000 0.292 179 G C -1.189 173.663 174.900 -0.081 0.000 1.375 179 G CA -0.406 44.719 45.100 0.042 0.000 0.890 179 G HN 1.024 nan 8.290 nan 0.000 0.476 180 S N -1.618 114.033 115.700 -0.082 0.000 2.611 180 S HA 0.888 5.358 4.470 0.001 0.000 0.270 180 S C -1.265 173.262 174.600 -0.123 0.000 1.131 180 S CA 0.440 58.444 58.200 -0.326 0.000 0.826 180 S CB 1.290 64.297 63.200 -0.320 0.000 1.095 180 S HN 2.452 nan 8.310 nan 0.000 0.461 181 A N 0.615 123.343 122.820 -0.153 0.000 2.597 181 A HA 0.809 5.130 4.320 0.001 0.000 0.292 181 A C -0.887 176.726 177.584 0.047 0.000 1.057 181 A CA -0.142 51.812 52.037 -0.138 0.000 0.674 181 A CB 0.371 19.010 19.000 -0.602 0.000 1.278 181 A HN 2.264 nan 8.150 nan 0.000 0.416 182 c N -0.580 118.092 118.600 0.121 0.000 3.307 182 c HA 0.834 5.404 4.570 0.001 0.000 0.333 182 c C -0.804 173.264 174.090 -0.036 0.000 1.291 182 c CA -0.785 55.624 56.329 0.133 0.000 1.273 182 c CB 0.554 43.102 42.510 0.063 0.000 1.580 182 c HN 1.317 nan 8.230 nan 0.000 0.481 183 H N 0.630 119.491 119.070 -0.348 0.000 2.459 183 H HA 0.558 5.115 4.556 0.001 0.000 0.332 183 H C 0.382 175.538 175.328 -0.287 0.000 1.094 183 H CA 0.218 55.875 56.048 -0.652 0.000 1.224 183 H CB 1.434 30.531 29.762 -1.108 0.000 1.449 183 H HN 0.844 nan 8.280 nan 0.000 0.484 184 D N 2.296 122.459 120.400 -0.396 0.000 2.363 184 D HA 0.166 4.807 4.640 0.001 0.000 0.214 184 D C 1.492 177.843 176.300 0.084 0.000 1.093 184 D CA 0.508 54.461 54.000 -0.079 0.000 0.837 184 D CB 0.471 41.272 40.800 0.001 0.000 0.948 184 D HN 0.824 nan 8.370 nan 0.000 0.507 185 G N 0.397 109.245 108.800 0.080 0.000 2.279 185 G HA2 -0.313 3.648 3.960 0.001 0.000 0.223 185 G HA3 -0.313 3.648 3.960 0.001 0.000 0.223 185 G C 1.171 176.104 174.900 0.056 0.000 1.015 185 G CA 0.292 45.480 45.100 0.147 0.000 0.621 185 G HN 0.404 nan 8.290 nan 0.000 0.506 186 K N -0.438 119.900 120.400 -0.104 0.000 2.380 186 K HA 0.411 4.732 4.320 0.001 0.000 0.200 186 K C 0.502 176.947 176.600 -0.259 0.000 1.201 186 K CA 0.761 56.961 56.287 -0.145 0.000 0.916 186 K CB 0.870 33.254 32.500 -0.193 0.000 1.187 186 K HN 0.257 nan 8.250 nan 0.000 0.498 187 E N -0.675 119.201 120.200 -0.540 0.000 2.412 187 E HA 0.208 4.559 4.350 0.001 0.000 0.279 187 E C -1.899 174.142 176.600 -0.931 0.000 0.984 187 E CA -0.717 55.276 56.400 -0.679 0.000 0.788 187 E CB 0.699 29.917 29.700 -0.805 0.000 1.277 187 E HN -0.008 nan 8.360 nan 0.000 0.455 188 W N 1.558 122.502 121.300 -0.592 0.000 2.266 188 W HA 0.363 5.024 4.660 0.001 0.000 0.317 188 W C 0.035 176.139 176.519 -0.692 0.000 1.310 188 W CA -0.021 56.979 57.345 -0.576 0.000 1.207 188 W CB 1.311 30.427 29.460 -0.572 0.000 1.199 188 W HN 0.184 nan 8.180 nan 0.000 0.544 189 T N 3.876 118.275 114.554 -0.258 0.000 2.794 189 T HA 0.368 4.719 4.350 0.001 0.000 0.280 189 T C -1.193 173.317 174.700 -0.317 0.000 0.987 189 T CA -0.414 61.602 62.100 -0.140 0.000 0.993 189 T CB 0.410 69.292 68.868 0.023 0.000 0.939 189 T HN 0.044 nan 8.240 nan 0.000 0.449 190 Y N 1.938 122.262 120.300 0.041 0.000 2.393 190 Y HA 0.663 5.214 4.550 0.001 0.000 0.341 190 Y C -0.089 175.781 175.900 -0.049 0.000 0.988 190 Y CA -1.296 56.763 58.100 -0.068 0.000 1.078 190 Y CB 1.125 39.502 38.460 -0.139 0.000 1.203 190 Y HN 0.471 nan 8.280 nan 0.000 0.453 191 I N 2.210 122.820 120.570 0.068 0.000 2.436 191 I HA 0.734 4.905 4.170 0.001 0.000 0.289 191 I C -0.056 176.057 176.117 -0.007 0.000 1.010 191 I CA -0.373 60.933 61.300 0.010 0.000 1.098 191 I CB 2.201 40.173 38.000 -0.046 0.000 1.266 191 I HN 0.785 nan 8.210 nan 0.000 0.434 192 G N 5.421 114.202 108.800 -0.032 0.000 2.733 192 G HA2 0.597 4.558 3.960 0.001 0.000 0.289 192 G HA3 0.597 4.558 3.960 0.001 0.000 0.289 192 G C -1.448 173.331 174.900 -0.202 0.000 1.473 192 G CA -0.401 44.643 45.100 -0.093 0.000 1.123 192 G HN 0.302 nan 8.290 nan 0.000 0.544 193 V N 3.324 123.025 119.914 -0.356 0.000 2.427 193 V HA 0.669 4.790 4.120 0.001 0.000 0.286 193 V C -0.362 175.039 176.094 -1.156 0.000 1.034 193 V CA -0.526 61.413 62.300 -0.600 0.000 0.893 193 V CB 1.321 32.788 31.823 -0.593 0.000 0.982 193 V HN 0.962 nan 8.190 nan 0.000 0.452 194 D N 2.499 122.342 120.400 -0.929 0.000 2.812 194 D HA 0.759 5.400 4.640 0.001 0.000 0.318 194 D C -0.004 176.180 176.300 -0.193 0.000 1.234 194 D CA 0.096 53.526 54.000 -0.950 0.000 0.989 194 D CB 1.655 42.171 40.800 -0.473 0.000 1.442 194 D HN 1.204 nan 8.370 nan 0.000 0.537 195 G N -0.699 108.226 108.800 0.208 0.000 2.525 195 G HA2 0.113 4.074 3.960 0.001 0.000 0.685 195 G HA3 0.113 4.074 3.960 0.001 0.000 0.685 195 G C -2.924 172.208 174.900 0.387 0.000 1.290 195 G CA -0.489 44.758 45.100 0.246 0.000 0.915 195 G HN 0.671 nan 8.290 nan 0.000 0.548 196 P HA 0.241 nan 4.420 nan 0.000 0.272 196 P C 0.912 178.303 177.300 0.150 0.000 1.223 196 P CA 0.043 63.237 63.100 0.156 0.000 0.784 196 P CB 0.888 32.646 31.700 0.098 0.000 0.923 197 E N 1.753 121.986 120.200 0.055 0.000 2.086 197 E HA -0.277 4.073 4.350 0.001 0.000 0.205 197 E C 1.504 178.129 176.600 0.043 0.000 1.027 197 E CA 2.341 58.744 56.400 0.006 0.000 0.830 197 E CB -0.392 29.284 29.700 -0.039 0.000 0.751 197 E HN 0.688 nan 8.360 nan 0.000 0.456 198 N N -0.504 118.220 118.700 0.039 0.000 2.463 198 N HA -0.090 4.651 4.740 0.001 0.000 0.181 198 N C 0.744 176.282 175.510 0.046 0.000 1.078 198 N CA 0.451 53.520 53.050 0.032 0.000 0.902 198 N CB 0.302 38.801 38.487 0.021 0.000 0.970 198 N HN -0.089 nan 8.380 nan 0.000 0.451 199 N N 0.195 118.941 118.700 0.078 0.000 2.620 199 N HA 0.260 5.001 4.740 0.001 0.000 0.277 199 N C -1.252 174.334 175.510 0.127 0.000 1.726 199 N CA -0.296 52.808 53.050 0.090 0.000 0.840 199 N CB 0.750 39.282 38.487 0.075 0.000 1.379 199 N HN 0.371 nan 8.380 nan 0.000 0.506 200 A N 0.434 123.351 122.820 0.161 0.000 2.429 200 A HA 0.470 4.791 4.320 0.001 0.000 0.242 200 A C -0.254 177.377 177.584 0.079 0.000 1.088 200 A CA 0.038 52.191 52.037 0.194 0.000 0.784 200 A CB 0.323 19.543 19.000 0.367 0.000 1.038 200 A HN 0.476 nan 8.150 nan 0.000 0.501 201 L N 1.034 122.246 121.223 -0.018 0.000 2.439 201 L HA 0.561 4.902 4.340 0.001 0.000 0.270 201 L C -0.856 175.930 176.870 -0.140 0.000 0.972 201 L CA -0.360 54.428 54.840 -0.088 0.000 0.836 201 L CB 1.632 43.636 42.059 -0.092 0.000 1.255 201 L HN 0.724 nan 8.230 nan 0.000 0.404 202 L N 5.272 126.444 121.223 -0.084 0.000 2.319 202 L HA 0.455 4.796 4.340 0.001 0.000 0.280 202 L C -0.732 176.105 176.870 -0.055 0.000 1.099 202 L CA -0.020 54.778 54.840 -0.071 0.000 0.828 202 L CB 0.257 42.320 42.059 0.006 0.000 1.150 202 L HN 0.641 nan 8.230 nan 0.000 0.442 203 K N 6.472 126.843 120.400 -0.048 0.000 2.270 203 K HA 0.561 4.882 4.320 0.001 0.000 0.255 203 K C -1.157 175.480 176.600 0.062 0.000 0.936 203 K CA -0.536 55.763 56.287 0.019 0.000 0.809 203 K CB 2.269 34.796 32.500 0.044 0.000 1.131 203 K HN 0.504 nan 8.250 nan 0.000 0.427 204 I N 2.254 122.877 120.570 0.089 0.000 2.412 204 I HA 0.323 4.494 4.170 0.001 0.000 0.296 204 I C -0.377 175.819 176.117 0.132 0.000 0.987 204 I CA -0.757 60.596 61.300 0.090 0.000 1.180 204 I CB 1.589 39.617 38.000 0.046 0.000 1.340 204 I HN 0.435 nan 8.210 nan 0.000 0.455 205 K N 5.419 125.897 120.400 0.129 0.000 2.426 205 K HA 0.359 4.680 4.320 0.001 0.000 0.254 205 K C -1.801 174.925 176.600 0.210 0.000 0.936 205 K CA -0.631 55.703 56.287 0.078 0.000 0.801 205 K CB 1.461 33.931 32.500 -0.049 0.000 1.139 205 K HN 0.459 nan 8.250 nan 0.000 0.424 206 Y N 4.567 124.880 120.300 0.020 0.000 2.417 206 Y HA 0.345 4.896 4.550 0.001 0.000 0.336 206 Y C 0.709 176.653 175.900 0.073 0.000 0.961 206 Y CA 0.762 58.876 58.100 0.023 0.000 1.215 206 Y CB 0.987 39.449 38.460 0.004 0.000 1.120 206 Y HN 0.995 nan 8.280 nan 0.000 0.499 207 G N 4.837 113.555 108.800 -0.137 0.000 2.620 207 G HA2 -0.348 3.613 3.960 0.001 0.000 0.315 207 G HA3 -0.348 3.613 3.960 0.001 0.000 0.315 207 G C 0.902 175.895 174.900 0.155 0.000 1.179 207 G CA 0.852 45.975 45.100 0.039 0.000 0.971 207 G HN 0.516 nan 8.290 nan 0.000 0.544 208 E N 1.358 121.592 120.200 0.056 0.000 2.431 208 E HA 0.458 4.809 4.350 0.001 0.000 0.200 208 E C 1.371 177.924 176.600 -0.078 0.000 0.995 208 E CA 0.738 57.140 56.400 0.004 0.000 0.915 208 E CB 0.459 30.178 29.700 0.033 0.000 0.930 208 E HN 0.914 nan 8.360 nan 0.000 0.496 209 A N 1.176 123.984 122.820 -0.020 0.000 2.328 209 A HA 0.388 4.709 4.320 0.001 0.000 0.284 209 A C -0.845 176.695 177.584 -0.074 0.000 1.160 209 A CA -0.385 51.660 52.037 0.013 0.000 0.818 209 A CB -0.163 18.901 19.000 0.105 0.000 1.087 209 A HN -0.011 nan 8.150 nan 0.000 0.504 210 Y N 1.883 122.255 120.300 0.120 0.000 2.436 210 Y HA 0.250 4.801 4.550 0.001 0.000 0.336 210 Y C 1.705 177.658 175.900 0.088 0.000 1.049 210 Y CA 0.849 59.010 58.100 0.102 0.000 1.294 210 Y CB 0.847 39.350 38.460 0.072 0.000 1.179 210 Y HN 0.792 nan 8.280 nan 0.000 0.520 211 T N -2.625 112.039 114.554 0.183 0.000 2.964 211 T HA 0.230 4.581 4.350 0.001 0.000 0.250 211 T C -0.115 174.635 174.700 0.083 0.000 0.982 211 T CA 0.068 62.237 62.100 0.115 0.000 0.959 211 T CB 0.561 69.475 68.868 0.076 0.000 1.141 211 T HN 0.464 nan 8.240 nan 0.000 0.494 212 D N 0.619 121.071 120.400 0.087 0.000 2.653 212 D HA 0.516 5.157 4.640 0.001 0.000 0.258 212 D C -1.286 175.046 176.300 0.054 0.000 1.252 212 D CA -0.075 53.960 54.000 0.059 0.000 0.777 212 D CB 2.291 43.111 40.800 0.033 0.000 1.339 212 D HN 0.341 nan 8.370 nan 0.000 0.422 213 T N -1.787 112.787 114.554 0.033 0.000 2.865 213 T HA 0.718 5.069 4.350 0.001 0.000 0.294 213 T C -1.463 173.248 174.700 0.019 0.000 1.119 213 T CA -0.639 61.450 62.100 -0.019 0.000 1.007 213 T CB 1.699 70.490 68.868 -0.129 0.000 1.225 213 T HN 0.333 nan 8.240 nan 0.000 0.515 214 Y N 0.193 120.373 120.300 -0.201 0.000 2.524 214 Y HA 0.538 5.088 4.550 0.001 0.000 0.347 214 Y C -0.644 175.123 175.900 -0.222 0.000 1.005 214 Y CA -0.872 57.145 58.100 -0.139 0.000 1.025 214 Y CB 1.852 40.295 38.460 -0.028 0.000 1.275 214 Y HN 0.833 nan 8.280 nan 0.000 0.460 215 H N 1.994 120.882 119.070 -0.304 0.000 2.499 215 H HA 0.236 4.793 4.556 0.001 0.000 0.340 215 H C -0.348 174.954 175.328 -0.043 0.000 1.148 215 H CA -0.545 55.420 56.048 -0.138 0.000 1.215 215 H CB 2.167 31.835 29.762 -0.157 0.000 1.529 215 H HN 0.613 nan 8.280 nan 0.000 0.510 216 S N 1.941 117.718 115.700 0.128 0.000 2.575 216 S HA -0.098 4.373 4.470 0.001 0.000 0.295 216 S C 0.650 175.293 174.600 0.071 0.000 1.267 216 S CA 0.055 58.286 58.200 0.052 0.000 1.074 216 S CB -0.228 62.994 63.200 0.036 0.000 0.829 216 S HN 0.638 nan 8.310 nan 0.000 0.497 217 Y N 2.719 123.074 120.300 0.093 0.000 2.445 217 Y HA 0.677 5.228 4.550 0.001 0.000 0.247 217 Y C 1.165 177.104 175.900 0.065 0.000 1.129 217 Y CA 0.019 58.164 58.100 0.074 0.000 1.251 217 Y CB -0.207 38.327 38.460 0.124 0.000 1.176 217 Y HN 0.604 nan 8.280 nan 0.000 0.522 218 A N 0.270 122.956 122.820 -0.223 0.000 2.551 218 A HA 0.274 4.595 4.320 0.001 0.000 0.252 218 A C 0.422 177.966 177.584 -0.066 0.000 1.199 218 A CA 0.022 52.011 52.037 -0.080 0.000 0.972 218 A CB -0.534 18.400 19.000 -0.110 0.000 1.153 218 A HN 0.431 nan 8.150 nan 0.000 0.559 219 N N -0.009 118.646 118.700 -0.074 0.000 2.747 219 N HA -0.167 4.574 4.740 0.001 0.000 0.249 219 N C -0.559 174.937 175.510 -0.023 0.000 1.107 219 N CA 1.054 54.088 53.050 -0.026 0.000 0.707 219 N CB -1.057 37.429 38.487 -0.001 0.000 1.054 219 N HN 0.432 nan 8.380 nan 0.000 0.555 220 N N 0.790 119.463 118.700 -0.046 0.000 2.751 220 N HA 0.283 5.024 4.740 0.001 0.000 0.238 220 N C -0.914 174.581 175.510 -0.024 0.000 1.351 220 N CA -0.431 52.602 53.050 -0.029 0.000 0.751 220 N CB 0.143 38.615 38.487 -0.025 0.000 1.342 220 N HN 0.273 nan 8.380 nan 0.000 0.540 221 I N 0.992 121.569 120.570 0.011 0.000 7.474 221 I HA -0.333 3.838 4.170 0.001 0.000 0.126 221 I C 0.044 176.234 176.117 0.121 0.000 1.805 221 I CA 0.015 61.357 61.300 0.070 0.000 2.128 221 I CB -0.717 37.268 38.000 -0.025 0.000 3.592 221 I HN 0.385 nan 8.210 nan 0.000 0.196 222 L N 5.235 126.537 121.223 0.132 0.000 2.615 222 L HA 0.212 4.553 4.340 0.001 0.000 0.284 222 L C 0.649 177.644 176.870 0.209 0.000 1.237 222 L CA 1.350 56.246 54.840 0.094 0.000 0.905 222 L CB 0.197 42.302 42.059 0.076 0.000 1.149 222 L HN 0.454 nan 8.230 nan 0.000 0.499 223 R N 2.175 122.750 120.500 0.125 0.000 2.643 223 R HA 0.586 4.927 4.340 0.001 0.000 0.269 223 R C -0.865 175.467 176.300 0.053 0.000 1.037 223 R CA -0.376 55.816 56.100 0.152 0.000 0.894 223 R CB 2.027 32.406 30.300 0.133 0.000 1.238 223 R HN 0.763 nan 8.270 nan 0.000 0.459 224 T N -0.851 113.724 114.554 0.034 0.000 2.604 224 T HA 0.199 4.550 4.350 0.001 0.000 0.267 224 T C 0.286 174.955 174.700 -0.052 0.000 0.923 224 T CA -0.351 61.721 62.100 -0.045 0.000 1.077 224 T CB 1.502 70.320 68.868 -0.083 0.000 1.392 224 T HN 0.571 nan 8.240 nan 0.000 0.531 225 Q N 0.023 119.753 119.800 -0.117 0.000 2.172 225 Q HA 0.018 4.359 4.340 0.001 0.000 0.200 225 Q C -0.072 175.862 176.000 -0.111 0.000 0.964 225 Q CA 0.895 56.624 55.803 -0.124 0.000 0.855 225 Q CB 0.120 28.760 28.738 -0.163 0.000 0.918 225 Q HN 0.623 nan 8.270 nan 0.000 0.444 226 E N -0.052 120.053 120.200 -0.159 0.000 2.883 226 E HA -0.179 4.172 4.350 0.001 0.000 0.271 226 E C -0.387 175.977 176.600 -0.393 0.000 1.049 226 E CA 1.196 57.518 56.400 -0.129 0.000 0.817 226 E CB -2.149 27.664 29.700 0.188 0.000 1.407 226 E HN 0.466 nan 8.360 nan 0.000 0.434 227 S N -2.270 113.004 115.700 -0.711 0.000 2.688 227 S HA 0.781 5.251 4.470 0.001 0.000 0.275 227 S C -0.198 173.906 174.600 -0.826 0.000 1.175 227 S CA -0.607 57.125 58.200 -0.780 0.000 0.818 227 S CB 1.930 65.079 63.200 -0.085 0.000 1.157 227 S HN 0.566 nan 8.310 nan 0.000 0.482 228 A N 0.609 123.238 122.820 -0.318 0.000 2.511 228 A HA 0.477 4.797 4.320 0.001 0.000 0.242 228 A C 0.960 178.515 177.584 -0.048 0.000 1.069 228 A CA -0.173 51.829 52.037 -0.058 0.000 0.763 228 A CB -1.450 17.688 19.000 0.229 0.000 1.001 228 A HN 1.518 nan 8.150 nan 0.000 0.498 229 c N 1.854 120.428 118.600 -0.044 0.000 2.560 229 c HA 0.575 5.146 4.570 0.001 0.000 0.334 229 c C 0.235 174.363 174.090 0.062 0.000 1.404 229 c CA -1.308 55.017 56.329 -0.006 0.000 2.410 229 c CB -0.004 42.488 42.510 -0.031 0.000 2.268 229 c HN 0.786 nan 8.230 nan 0.000 0.673 230 N N -0.216 118.531 118.700 0.078 0.000 2.461 230 N HA 0.383 5.124 4.740 0.001 0.000 0.284 230 N C -1.550 174.141 175.510 0.302 0.000 1.049 230 N CA -0.146 52.998 53.050 0.158 0.000 0.889 230 N CB 1.687 40.076 38.487 -0.163 0.000 1.365 230 N HN 0.731 nan 8.380 nan 0.000 0.499 231 c N 2.566 121.360 118.600 0.323 0.000 2.341 231 c HA 0.660 5.231 4.570 0.001 0.000 0.338 231 c C 0.610 174.773 174.090 0.122 0.000 1.257 231 c CA -0.801 55.623 56.329 0.160 0.000 1.883 231 c CB -0.187 42.315 42.510 -0.013 0.000 2.334 231 c HN 0.687 nan 8.230 nan 0.000 0.524 232 I N 1.837 122.415 120.570 0.013 0.000 2.571 232 I HA 0.565 4.736 4.170 0.001 0.000 0.289 232 I C 0.787 176.676 176.117 -0.381 0.000 1.115 232 I CA 0.401 61.570 61.300 -0.218 0.000 1.045 232 I CB 1.330 39.317 38.000 -0.022 0.000 1.238 232 I HN 0.942 nan 8.210 nan 0.000 0.424 233 G N 4.765 113.089 108.800 -0.792 0.000 2.361 233 G HA2 -0.132 3.829 3.960 0.001 0.000 0.294 233 G HA3 -0.132 3.829 3.960 0.001 0.000 0.294 233 G C 1.059 175.326 174.900 -1.055 0.000 1.004 233 G CA 0.699 45.381 45.100 -0.696 0.000 0.870 233 G HN 2.050 nan 8.290 nan 0.000 0.510 234 G N -1.429 106.700 108.800 -1.118 0.000 2.241 234 G HA2 -0.295 3.666 3.960 0.001 0.000 0.244 234 G HA3 -0.295 3.666 3.960 0.001 0.000 0.244 234 G C 0.232 174.618 174.900 -0.858 0.000 0.998 234 G CA 0.363 44.496 45.100 -1.611 0.000 0.621 234 G HN 1.036 nan 8.290 nan 0.000 0.519 235 N N 0.914 119.254 118.700 -0.600 0.000 2.406 235 N HA 0.448 5.189 4.740 0.001 0.000 0.251 235 N C -0.116 175.143 175.510 -0.417 0.000 1.069 235 N CA 0.261 53.015 53.050 -0.494 0.000 0.947 235 N CB 0.915 39.159 38.487 -0.405 0.000 1.111 235 N HN 0.323 nan 8.380 nan 0.000 0.497 236 c N 3.079 121.426 118.600 -0.422 0.000 2.319 236 c HA 0.445 5.016 4.570 0.001 0.000 0.335 236 c C -0.061 173.815 174.090 -0.356 0.000 1.274 236 c CA -0.787 55.396 56.329 -0.244 0.000 1.806 236 c CB -1.080 41.335 42.510 -0.159 0.000 2.329 236 c HN 0.551 nan 8.230 nan 0.000 0.524 237 Y N 2.485 122.766 120.300 -0.032 0.000 2.387 237 Y HA 0.734 5.285 4.550 0.001 0.000 0.336 237 Y C -0.037 175.884 175.900 0.035 0.000 1.067 237 Y CA -0.777 57.321 58.100 -0.002 0.000 1.114 237 Y CB 1.261 39.703 38.460 -0.030 0.000 1.208 237 Y HN 0.555 nan 8.280 nan 0.000 0.458 238 L N 4.407 125.755 121.223 0.207 0.000 2.482 238 L HA 0.524 4.865 4.340 0.001 0.000 0.263 238 L C -1.363 175.418 176.870 -0.147 0.000 0.957 238 L CA -0.815 54.041 54.840 0.027 0.000 0.836 238 L CB 1.981 43.989 42.059 -0.084 0.000 1.324 238 L HN 0.719 nan 8.230 nan 0.000 0.406 239 M N 6.295 125.653 119.600 -0.403 0.000 2.188 239 M HA 0.536 5.017 4.480 0.001 0.000 0.357 239 M C -1.060 174.968 176.300 -0.453 0.000 1.204 239 M CA -0.521 54.228 55.300 -0.917 0.000 1.095 239 M CB 0.883 32.951 32.600 -0.887 0.000 1.604 239 M HN 0.716 nan 8.290 nan 0.000 0.464 240 I N 1.195 121.534 120.570 -0.386 0.000 2.785 240 I HA 0.766 4.936 4.170 0.001 0.000 0.302 240 I C -0.853 175.246 176.117 -0.030 0.000 1.069 240 I CA -0.495 60.718 61.300 -0.146 0.000 1.045 240 I CB 2.490 40.447 38.000 -0.073 0.000 1.236 240 I HN 0.623 nan 8.210 nan 0.000 0.429 241 T N 1.613 116.190 114.554 0.038 0.000 2.864 241 T HA 0.500 4.851 4.350 0.001 0.000 0.299 241 T C -1.949 172.736 174.700 -0.025 0.000 1.166 241 T CA -0.251 61.895 62.100 0.076 0.000 1.007 241 T CB 1.789 70.654 68.868 -0.006 0.000 1.219 241 T HN 0.876 nan 8.240 nan 0.000 0.506 242 D N -0.474 119.847 120.400 -0.131 0.000 2.803 242 D HA 0.622 5.263 4.640 0.001 0.000 0.218 242 D C -0.489 175.696 176.300 -0.191 0.000 1.245 242 D CA 0.813 54.627 54.000 -0.310 0.000 0.821 242 D CB 1.813 42.059 40.800 -0.923 0.000 1.626 242 D HN 1.104 nan 8.370 nan 0.000 0.487 243 G N 0.756 109.483 108.800 -0.123 0.000 2.334 243 G HA2 0.254 4.215 3.960 0.001 0.000 0.566 243 G HA3 0.254 4.215 3.960 0.001 0.000 0.566 243 G C -0.645 174.240 174.900 -0.024 0.000 1.413 243 G CA -0.275 44.787 45.100 -0.063 0.000 0.993 243 G HN 0.470 nan 8.290 nan 0.000 0.642 244 S N -0.345 115.363 115.700 0.014 0.000 2.558 244 S HA 0.411 4.882 4.470 0.001 0.000 0.293 244 S C 1.840 176.504 174.600 0.108 0.000 1.292 244 S CA 1.020 59.245 58.200 0.042 0.000 1.063 244 S CB 0.680 63.906 63.200 0.044 0.000 0.831 244 S HN 2.113 nan 8.310 nan 0.000 0.499 245 A N 4.083 126.956 122.820 0.088 0.000 2.066 245 A HA 0.062 4.383 4.320 0.001 0.000 0.218 245 A C 1.988 179.595 177.584 0.039 0.000 1.157 245 A CA 1.367 53.480 52.037 0.127 0.000 0.670 245 A CB -0.275 18.758 19.000 0.054 0.000 0.804 245 A HN 0.743 nan 8.150 nan 0.000 0.453 246 S N -1.366 114.325 115.700 -0.015 0.000 2.539 246 S HA 0.430 4.901 4.470 0.001 0.000 0.221 246 S C 0.861 175.367 174.600 -0.156 0.000 0.987 246 S CA 0.211 58.338 58.200 -0.121 0.000 0.929 246 S CB 0.533 63.684 63.200 -0.082 0.000 0.832 246 S HN 0.778 nan 8.310 nan 0.000 0.492 247 G N 0.972 109.767 108.800 -0.008 0.000 3.214 247 G HA2 0.526 4.487 3.960 0.001 0.000 0.188 247 G HA3 0.526 4.487 3.960 0.001 0.000 0.188 247 G C -0.991 174.098 174.900 0.315 0.000 1.126 247 G CA -0.677 44.480 45.100 0.094 0.000 0.796 247 G HN 0.135 nan 8.290 nan 0.000 0.631 248 I N 1.787 122.523 120.570 0.276 0.000 2.471 248 I HA 0.319 4.490 4.170 0.001 0.000 0.286 248 I C -0.199 175.946 176.117 0.048 0.000 1.079 248 I CA 0.212 61.653 61.300 0.234 0.000 1.398 248 I CB 0.664 38.755 38.000 0.152 0.000 1.403 248 I HN 0.105 nan 8.210 nan 0.000 0.530 249 S N 5.474 121.086 115.700 -0.147 0.000 2.279 249 S HA 0.172 4.643 4.470 0.001 0.000 0.176 249 S C 0.031 174.560 174.600 -0.117 0.000 1.554 249 S CA -0.691 57.352 58.200 -0.262 0.000 1.242 249 S CB 0.318 63.147 63.200 -0.618 0.000 1.163 249 S HN 0.546 nan 8.310 nan 0.000 0.449 250 E N 2.540 122.768 120.200 0.048 0.000 2.238 250 E HA 0.109 4.460 4.350 0.001 0.000 0.264 250 E C 0.699 177.416 176.600 0.195 0.000 1.136 250 E CA -0.352 56.121 56.400 0.121 0.000 0.929 250 E CB 0.117 29.907 29.700 0.150 0.000 1.010 250 E HN 0.780 nan 8.360 nan 0.000 0.440 251 C N 3.525 122.898 119.300 0.122 0.000 2.649 251 C HA 0.542 5.003 4.460 0.001 0.000 0.377 251 C C 0.282 175.328 174.990 0.092 0.000 1.321 251 C CA -0.754 58.323 59.018 0.099 0.000 2.368 251 C CB 0.276 28.004 27.740 -0.020 0.000 2.597 251 C HN 0.771 nan 8.230 nan 0.000 0.678 252 R N 0.152 120.644 120.500 -0.013 0.000 2.867 252 R HA 0.680 5.021 4.340 0.001 0.000 0.268 252 R C -1.580 174.587 176.300 -0.221 0.000 1.014 252 R CA -0.459 55.612 56.100 -0.049 0.000 0.946 252 R CB 1.555 31.763 30.300 -0.153 0.000 1.208 252 R HN 0.732 nan 8.270 nan 0.000 0.477 253 F N 1.160 121.026 119.950 -0.139 0.000 2.469 253 F HA 0.460 4.988 4.527 0.001 0.000 0.332 253 F C -0.130 175.545 175.800 -0.208 0.000 1.103 253 F CA -0.795 57.128 58.000 -0.128 0.000 0.979 253 F CB 1.414 40.381 39.000 -0.054 0.000 1.137 253 F HN 0.014 nan 8.300 nan 0.000 0.463 254 L N 3.442 124.629 121.223 -0.060 0.000 2.295 254 L HA 0.431 4.771 4.340 0.001 0.000 0.285 254 L C -0.167 176.643 176.870 -0.101 0.000 1.035 254 L CA -0.815 53.922 54.840 -0.170 0.000 0.806 254 L CB 1.584 43.465 42.059 -0.298 0.000 1.214 254 L HN 0.522 nan 8.230 nan 0.000 0.426 255 K N 4.454 124.750 120.400 -0.174 0.000 2.267 255 K HA 0.518 4.839 4.320 0.001 0.000 0.282 255 K C -0.987 175.412 176.600 -0.335 0.000 1.078 255 K CA -0.348 55.704 56.287 -0.393 0.000 0.903 255 K CB 0.595 32.895 32.500 -0.333 0.000 1.111 255 K HN 0.494 nan 8.250 nan 0.000 0.475 256 I N 4.502 124.851 120.570 -0.368 0.000 2.389 256 I HA 0.343 4.514 4.170 0.001 0.000 0.288 256 I C -0.208 175.713 176.117 -0.326 0.000 0.999 256 I CA -0.750 60.382 61.300 -0.279 0.000 1.129 256 I CB 1.739 39.612 38.000 -0.211 0.000 1.288 256 I HN 0.446 nan 8.210 nan 0.000 0.444 257 R N 5.818 126.131 120.500 -0.311 0.000 2.393 257 R HA 0.320 4.660 4.340 0.001 0.000 0.315 257 R C -0.352 175.701 176.300 -0.412 0.000 0.952 257 R CA -0.335 55.546 56.100 -0.364 0.000 0.842 257 R CB 0.851 30.955 30.300 -0.327 0.000 1.163 257 R HN 0.664 nan 8.270 nan 0.000 0.450 258 E N 2.871 122.719 120.200 -0.587 0.000 2.238 258 E HA -0.277 4.073 4.350 0.001 0.000 0.219 258 E C 0.486 176.446 176.600 -1.067 0.000 1.275 258 E CA 0.794 56.472 56.400 -1.204 0.000 0.714 258 E CB -1.117 28.195 29.700 -0.648 0.000 1.154 258 E HN 1.166 nan 8.360 nan 0.000 0.363 259 G N -0.127 108.282 108.800 -0.652 0.000 2.179 259 G HA2 -0.364 3.597 3.960 0.001 0.000 0.260 259 G HA3 -0.364 3.597 3.960 0.001 0.000 0.260 259 G C 0.179 174.988 174.900 -0.152 0.000 0.977 259 G CA 0.479 45.425 45.100 -0.257 0.000 0.641 259 G HN 0.306 nan 8.290 nan 0.000 0.533 260 R N -0.444 119.942 120.500 -0.191 0.000 2.562 260 R HA 0.627 4.968 4.340 0.001 0.000 0.298 260 R C 0.129 176.357 176.300 -0.120 0.000 0.961 260 R CA -0.970 55.062 56.100 -0.113 0.000 0.881 260 R CB 1.474 31.721 30.300 -0.089 0.000 1.159 260 R HN 0.219 nan 8.270 nan 0.000 0.450 261 I N 4.828 125.354 120.570 -0.074 0.000 2.452 261 I HA 0.020 4.191 4.170 0.001 0.000 0.287 261 I C 1.447 177.520 176.117 -0.074 0.000 1.079 261 I CA 0.379 61.628 61.300 -0.086 0.000 1.387 261 I CB 0.611 38.593 38.000 -0.031 0.000 1.404 261 I HN 0.693 nan 8.210 nan 0.000 0.522 262 I N 2.442 122.946 120.570 -0.110 0.000 4.181 262 I HA 0.399 4.570 4.170 0.001 0.000 0.331 262 I C 0.464 176.536 176.117 -0.074 0.000 1.312 262 I CA -0.059 61.188 61.300 -0.088 0.000 1.146 262 I CB 0.163 38.093 38.000 -0.115 0.000 1.074 262 I HN 0.406 nan 8.210 nan 0.000 0.402 263 K N 1.586 121.928 120.400 -0.096 0.000 2.542 263 K HA 0.440 4.761 4.320 0.001 0.000 0.259 263 K C -1.382 175.134 176.600 -0.140 0.000 0.932 263 K CA -0.472 55.760 56.287 -0.092 0.000 0.820 263 K CB 2.535 34.989 32.500 -0.077 0.000 1.345 263 K HN 0.065 nan 8.250 nan 0.000 0.432 264 E N 3.141 123.225 120.200 -0.195 0.000 2.151 264 E HA 0.365 4.716 4.350 0.001 0.000 0.275 264 E C -0.812 175.428 176.600 -0.600 0.000 0.936 264 E CA -0.547 55.614 56.400 -0.399 0.000 0.777 264 E CB 1.682 31.114 29.700 -0.446 0.000 1.108 264 E HN 0.344 nan 8.360 nan 0.000 0.401 265 I N 3.795 124.064 120.570 -0.502 0.000 2.362 265 I HA 0.274 4.444 4.170 0.001 0.000 0.289 265 I C -0.954 174.938 176.117 -0.376 0.000 0.994 265 I CA -0.722 60.363 61.300 -0.357 0.000 1.158 265 I CB 0.710 38.664 38.000 -0.077 0.000 1.315 265 I HN 0.385 nan 8.210 nan 0.000 0.451 266 F N 6.833 126.812 119.950 0.048 0.000 2.361 266 F HA 0.482 5.010 4.527 0.001 0.000 0.364 266 F C -2.059 173.774 175.800 0.054 0.000 1.120 266 F CA -2.576 55.446 58.000 0.037 0.000 1.102 266 F CB 0.302 39.306 39.000 0.006 0.000 1.183 266 F HN 0.212 nan 8.300 nan 0.000 0.476 267 P HA 0.298 nan 4.420 nan 0.000 0.274 267 P C -0.198 177.182 177.300 0.133 0.000 1.231 267 P CA -0.421 62.781 63.100 0.170 0.000 0.790 267 P CB 0.862 32.687 31.700 0.209 0.000 0.951 268 T N -2.010 112.599 114.554 0.092 0.000 2.948 268 T HA 0.716 5.067 4.350 0.001 0.000 0.285 268 T C 0.575 175.284 174.700 0.015 0.000 1.019 268 T CA 0.041 62.172 62.100 0.051 0.000 1.013 268 T CB 1.333 70.223 68.868 0.037 0.000 1.117 268 T HN 0.742 nan 8.240 nan 0.000 0.533 269 G N 0.998 109.784 108.800 -0.024 0.000 2.662 269 G HA2 -0.161 3.800 3.960 0.001 0.000 0.236 269 G HA3 -0.161 3.800 3.960 0.001 0.000 0.236 269 G C -0.260 174.595 174.900 -0.075 0.000 1.212 269 G CA -0.193 44.856 45.100 -0.085 0.000 0.968 269 G HN 0.890 nan 8.290 nan 0.000 0.576 270 R N 1.715 122.155 120.500 -0.101 0.000 2.408 270 R HA 0.428 4.769 4.340 0.001 0.000 0.308 270 R C 1.248 177.543 176.300 -0.009 0.000 1.210 270 R CA 0.631 56.686 56.100 -0.075 0.000 1.115 270 R CB 0.077 30.309 30.300 -0.113 0.000 1.127 270 R HN 1.289 nan 8.270 nan 0.000 0.523 271 V N 1.366 121.285 119.914 0.009 0.000 3.528 271 V HA 0.194 4.315 4.120 0.001 0.000 0.294 271 V C 1.919 178.051 176.094 0.064 0.000 1.404 271 V CA -0.121 62.211 62.300 0.053 0.000 1.065 271 V CB 0.070 31.929 31.823 0.060 0.000 0.904 271 V HN 0.471 nan 8.190 nan 0.000 0.435 272 K N 1.016 121.439 120.400 0.039 0.000 2.052 272 K HA -0.245 4.076 4.320 0.001 0.000 0.215 272 K C 0.633 177.366 176.600 0.223 0.000 1.053 272 K CA 2.398 58.714 56.287 0.048 0.000 0.934 272 K CB -0.166 32.269 32.500 -0.108 0.000 0.717 272 K HN 0.799 nan 8.250 nan 0.000 0.450 273 H N -1.263 117.904 119.070 0.162 0.000 3.149 273 H HA 0.236 4.793 4.556 0.001 0.000 0.334 273 H C -1.857 173.546 175.328 0.125 0.000 1.000 273 H CA -0.627 55.533 56.048 0.187 0.000 1.415 273 H CB 1.765 31.693 29.762 0.277 0.000 1.819 273 H HN -0.035 nan 8.280 nan 0.000 0.486 274 T N 4.907 119.527 114.554 0.110 0.000 3.011 274 T HA 0.329 4.680 4.350 0.001 0.000 0.303 274 T C -1.104 173.627 174.700 0.052 0.000 0.997 274 T CA -0.962 61.221 62.100 0.139 0.000 1.007 274 T CB 1.531 70.463 68.868 0.108 0.000 1.017 274 T HN 0.741 nan 8.240 nan 0.000 0.443 275 E N 1.109 121.373 120.200 0.106 0.000 2.433 275 E HA 0.533 4.884 4.350 0.001 0.000 0.278 275 E C -1.087 175.535 176.600 0.036 0.000 0.976 275 E CA -1.203 55.230 56.400 0.055 0.000 0.793 275 E CB 1.172 30.928 29.700 0.093 0.000 1.311 275 E HN 0.497 nan 8.360 nan 0.000 0.460 276 E N -0.339 119.865 120.200 0.006 0.000 2.269 276 E HA -0.214 4.137 4.350 0.001 0.000 0.223 276 E C -0.712 175.881 176.600 -0.012 0.000 1.244 276 E CA 0.484 56.872 56.400 -0.020 0.000 0.713 276 E CB -1.895 27.764 29.700 -0.067 0.000 1.178 276 E HN 0.458 nan 8.360 nan 0.000 0.370 277 c N 0.974 119.569 118.600 -0.008 0.000 2.634 277 c HA 0.082 4.652 4.570 0.001 0.000 0.418 277 c C 1.242 175.368 174.090 0.059 0.000 1.373 277 c CA 0.088 56.437 56.329 0.033 0.000 1.756 277 c CB -0.124 42.411 42.510 0.042 0.000 2.589 277 c HN 0.281 nan 8.230 nan 0.000 0.602 278 T N 3.901 118.529 114.554 0.123 0.000 2.753 278 T HA 0.371 4.722 4.350 0.001 0.000 0.297 278 T C -0.121 174.722 174.700 0.238 0.000 0.981 278 T CA -0.261 61.950 62.100 0.184 0.000 0.956 278 T CB 0.211 69.233 68.868 0.257 0.000 0.936 278 T HN 0.784 nan 8.240 nan 0.000 0.463 279 c N 2.759 121.451 118.600 0.152 0.000 2.529 279 c HA 1.028 5.599 4.570 0.001 0.000 0.329 279 c C 0.950 175.055 174.090 0.025 0.000 1.194 279 c CA -0.523 55.872 56.329 0.110 0.000 1.779 279 c CB 1.188 43.745 42.510 0.079 0.000 2.322 279 c HN 1.106 nan 8.230 nan 0.000 0.500 280 G N 0.198 108.983 108.800 -0.026 0.000 2.646 280 G HA2 0.617 4.578 3.960 0.001 0.000 0.291 280 G HA3 0.617 4.578 3.960 0.001 0.000 0.291 280 G C -1.594 173.174 174.900 -0.220 0.000 1.445 280 G CA -0.509 44.566 45.100 -0.042 0.000 0.814 280 G HN 0.436 nan 8.290 nan 0.000 0.495 281 F N 1.447 121.347 119.950 -0.082 0.000 2.472 281 F HA 0.456 4.984 4.527 0.001 0.000 0.364 281 F C 1.548 176.994 175.800 -0.590 0.000 1.090 281 F CA 0.380 58.242 58.000 -0.230 0.000 1.188 281 F CB 1.830 40.770 39.000 -0.101 0.000 1.105 281 F HN 0.591 nan 8.300 nan 0.000 0.536 282 A N 2.501 124.991 122.820 -0.550 0.000 1.930 282 A HA 0.161 4.481 4.320 0.001 0.000 0.215 282 A C 0.974 178.475 177.584 -0.138 0.000 1.176 282 A CA 1.317 53.027 52.037 -0.545 0.000 0.632 282 A CB -0.246 18.591 19.000 -0.270 0.000 0.819 282 A HN 0.695 nan 8.150 nan 0.000 0.445 283 S N -3.120 112.567 115.700 -0.021 0.000 2.757 283 S HA 0.297 4.768 4.470 0.001 0.000 0.285 283 S C 0.005 174.650 174.600 0.075 0.000 1.196 283 S CA -0.314 57.899 58.200 0.021 0.000 0.856 283 S CB 0.207 63.409 63.200 0.004 0.000 1.212 283 S HN 0.048 nan 8.310 nan 0.000 0.516 284 N N 0.571 119.282 118.700 0.019 0.000 2.512 284 N HA 0.043 4.784 4.740 0.001 0.000 0.183 284 N C 1.156 176.704 175.510 0.064 0.000 1.073 284 N CA 0.861 53.920 53.050 0.015 0.000 0.911 284 N CB -0.251 38.224 38.487 -0.020 0.000 0.964 284 N HN 0.667 nan 8.380 nan 0.000 0.447 285 K N -0.482 119.946 120.400 0.045 0.000 2.244 285 K HA 0.084 4.405 4.320 0.001 0.000 0.200 285 K C -0.315 176.281 176.600 -0.007 0.000 1.052 285 K CA 0.685 56.982 56.287 0.017 0.000 0.980 285 K CB 0.489 32.987 32.500 -0.003 0.000 0.838 285 K HN -0.095 nan 8.250 nan 0.000 0.481 286 T N 0.932 115.486 114.554 -0.000 0.000 2.848 286 T HA 0.447 4.798 4.350 0.001 0.000 0.285 286 T C -0.573 174.049 174.700 -0.129 0.000 0.995 286 T CA -0.617 61.436 62.100 -0.079 0.000 0.970 286 T CB 1.974 70.796 68.868 -0.076 0.000 0.976 286 T HN 0.017 nan 8.240 nan 0.000 0.441 287 I N 2.738 123.142 120.570 -0.277 0.000 2.359 287 I HA 0.385 4.556 4.170 0.001 0.000 0.294 287 I C 0.217 176.188 176.117 -0.244 0.000 0.987 287 I CA -0.576 60.485 61.300 -0.398 0.000 1.225 287 I CB 1.409 39.046 38.000 -0.604 0.000 1.366 287 I HN 0.593 nan 8.210 nan 0.000 0.466 288 E N 4.921 125.068 120.200 -0.089 0.000 2.277 288 E HA 0.629 4.980 4.350 0.001 0.000 0.266 288 E C -1.532 175.095 176.600 0.045 0.000 0.901 288 E CA -0.770 55.613 56.400 -0.027 0.000 0.782 288 E CB 2.423 32.264 29.700 0.236 0.000 1.228 288 E HN 0.462 nan 8.360 nan 0.000 0.424 289 c N 1.205 119.646 118.600 -0.264 0.000 2.698 289 c HA 0.776 5.347 4.570 0.001 0.000 0.309 289 c C -0.374 173.445 174.090 -0.451 0.000 1.186 289 c CA -0.776 55.502 56.329 -0.085 0.000 1.474 289 c CB 1.119 43.671 42.510 0.071 0.000 2.020 289 c HN 0.804 nan 8.230 nan 0.000 0.474 290 A N 1.520 124.225 122.820 -0.191 0.000 2.267 290 A HA 0.753 5.074 4.320 0.001 0.000 0.315 290 A C -0.115 177.480 177.584 0.019 0.000 1.297 290 A CA -0.209 51.727 52.037 -0.168 0.000 0.865 290 A CB -0.031 18.864 19.000 -0.175 0.000 1.165 290 A HN 1.009 nan 8.150 nan 0.000 0.513 291 c N 0.942 119.565 118.600 0.038 0.000 2.768 291 c HA 0.866 5.437 4.570 0.001 0.000 0.411 291 c C 0.416 174.540 174.090 0.057 0.000 1.793 291 c CA -0.860 55.504 56.329 0.057 0.000 1.747 291 c CB 1.094 43.649 42.510 0.074 0.000 2.128 291 c HN 0.928 nan 8.230 nan 0.000 0.472 292 R N 1.018 121.555 120.500 0.061 0.000 2.480 292 R HA 0.427 4.768 4.340 0.001 0.000 0.306 292 R C -1.838 174.527 176.300 0.108 0.000 0.958 292 R CA -0.054 56.074 56.100 0.047 0.000 0.861 292 R CB 1.096 31.401 30.300 0.007 0.000 1.171 292 R HN 0.861 nan 8.270 nan 0.000 0.445 293 D N 3.054 123.481 120.400 0.046 0.000 2.349 293 D HA 0.097 4.738 4.640 0.001 0.000 0.232 293 D C -0.331 175.806 176.300 -0.271 0.000 1.071 293 D CA -0.312 53.674 54.000 -0.024 0.000 0.832 293 D CB 1.583 42.407 40.800 0.040 0.000 1.086 293 D HN 0.650 nan 8.370 nan 0.000 0.504 294 N N 1.555 119.862 118.700 -0.656 0.000 2.336 294 N HA 0.035 4.775 4.740 0.001 0.000 0.189 294 N C 0.508 175.706 175.510 -0.521 0.000 1.113 294 N CA 0.341 53.118 53.050 -0.454 0.000 0.858 294 N CB 0.552 38.882 38.487 -0.262 0.000 0.970 294 N HN 0.172 nan 8.380 nan 0.000 0.471 295 S N -1.585 113.668 115.700 -0.744 0.000 2.731 295 S HA 0.177 4.648 4.470 0.001 0.000 0.244 295 S C 0.667 174.882 174.600 -0.643 0.000 1.084 295 S CA -0.053 57.677 58.200 -0.784 0.000 0.877 295 S CB 0.033 62.481 63.200 -1.254 0.000 0.798 295 S HN 0.273 nan 8.310 nan 0.000 0.496 296 Y N 1.503 121.707 120.300 -0.160 0.000 2.535 296 Y HA 0.472 5.023 4.550 0.001 0.000 0.266 296 Y C 1.067 176.904 175.900 -0.105 0.000 1.088 296 Y CA 0.111 58.151 58.100 -0.099 0.000 1.285 296 Y CB 0.467 38.891 38.460 -0.060 0.000 1.166 296 Y HN 0.187 nan 8.280 nan 0.000 0.525 297 T N -1.229 113.331 114.554 0.009 0.000 2.889 297 T HA 0.636 4.987 4.350 0.001 0.000 0.315 297 T C -0.002 174.643 174.700 -0.091 0.000 1.291 297 T CA -0.077 61.992 62.100 -0.052 0.000 1.028 297 T CB 1.430 70.278 68.868 -0.033 0.000 1.235 297 T HN 0.001 nan 8.240 nan 0.000 0.491 298 A N 2.467 125.198 122.820 -0.148 0.000 2.275 298 A HA 0.365 4.685 4.320 0.001 0.000 0.212 298 A C 0.722 178.247 177.584 -0.099 0.000 1.201 298 A CA 0.165 52.125 52.037 -0.129 0.000 0.843 298 A CB -0.141 18.767 19.000 -0.152 0.000 0.873 298 A HN 0.668 nan 8.150 nan 0.000 0.492 299 K N 1.297 121.622 120.400 -0.125 0.000 2.298 299 K HA 0.264 4.585 4.320 0.001 0.000 0.280 299 K C -0.383 176.223 176.600 0.010 0.000 1.032 299 K CA -0.332 55.938 56.287 -0.028 0.000 0.958 299 K CB 0.808 33.284 32.500 -0.040 0.000 0.978 299 K HN 0.287 nan 8.250 nan 0.000 0.472 300 R N 3.428 123.948 120.500 0.035 0.000 2.401 300 R HA 0.105 4.446 4.340 0.001 0.000 0.299 300 R C -2.318 174.059 176.300 0.128 0.000 1.064 300 R CA -1.815 54.324 56.100 0.065 0.000 1.000 300 R CB 0.010 30.344 30.300 0.057 0.000 0.973 300 R HN 0.343 nan 8.270 nan 0.000 0.438 301 P HA -0.068 nan 4.420 nan 0.000 0.265 301 P C -0.999 176.460 177.300 0.266 0.000 1.193 301 P CA 0.378 63.587 63.100 0.181 0.000 0.765 301 P CB 0.311 32.102 31.700 0.152 0.000 0.823 302 F N 3.960 124.044 119.950 0.223 0.000 2.460 302 F HA 0.383 4.911 4.527 0.001 0.000 0.341 302 F C -0.787 175.271 175.800 0.430 0.000 1.130 302 F CA -0.779 57.388 58.000 0.277 0.000 0.962 302 F CB 1.134 40.313 39.000 0.298 0.000 1.171 302 F HN -0.035 nan 8.300 nan 0.000 0.436 303 V N 6.086 126.007 119.914 0.012 0.000 2.439 303 V HA 0.377 4.498 4.120 0.001 0.000 0.282 303 V C -0.490 175.600 176.094 -0.007 0.000 1.039 303 V CA -0.791 61.584 62.300 0.124 0.000 0.913 303 V CB 1.585 33.465 31.823 0.095 0.000 0.983 303 V HN 0.591 nan 8.190 nan 0.000 0.460 304 K N 5.117 125.595 120.400 0.130 0.000 2.394 304 K HA 0.572 4.893 4.320 0.001 0.000 0.260 304 K C -1.175 175.359 176.600 -0.111 0.000 0.967 304 K CA -0.479 55.790 56.287 -0.030 0.000 0.855 304 K CB 2.104 34.551 32.500 -0.088 0.000 1.101 304 K HN 0.507 nan 8.250 nan 0.000 0.433 305 L N 3.706 124.775 121.223 -0.257 0.000 2.316 305 L HA 0.302 4.643 4.340 0.001 0.000 0.280 305 L C -0.669 176.014 176.870 -0.312 0.000 1.006 305 L CA -0.741 53.872 54.840 -0.380 0.000 0.836 305 L CB 1.002 42.654 42.059 -0.678 0.000 1.221 305 L HN 0.597 nan 8.230 nan 0.000 0.418 306 N N 3.990 122.558 118.700 -0.219 0.000 2.402 306 N HA 0.018 4.758 4.740 0.001 0.000 0.252 306 N C 0.835 176.217 175.510 -0.213 0.000 1.118 306 N CA -0.179 52.772 53.050 -0.164 0.000 0.945 306 N CB 1.584 40.021 38.487 -0.084 0.000 1.147 306 N HN 0.561 nan 8.380 nan 0.000 0.495 307 V N 1.319 121.088 119.914 -0.241 0.000 3.217 307 V HA 0.010 4.131 4.120 0.001 0.000 0.264 307 V C 1.392 177.460 176.094 -0.043 0.000 1.135 307 V CA 1.139 63.282 62.300 -0.262 0.000 1.142 307 V CB -0.488 31.183 31.823 -0.254 0.000 0.754 307 V HN 0.527 nan 8.190 nan 0.000 0.484 308 E N 1.818 122.000 120.200 -0.029 0.000 2.086 308 E HA -0.071 4.280 4.350 0.001 0.000 0.190 308 E C 2.265 178.867 176.600 0.004 0.000 0.975 308 E CA 1.528 57.931 56.400 0.006 0.000 0.813 308 E CB -0.180 29.523 29.700 0.005 0.000 0.768 308 E HN 0.831 nan 8.360 nan 0.000 0.457 309 T N -1.932 112.614 114.554 -0.014 0.000 3.044 309 T HA 0.017 4.368 4.350 0.001 0.000 0.250 309 T C 0.159 174.853 174.700 -0.010 0.000 1.081 309 T CA 0.032 62.129 62.100 -0.006 0.000 1.040 309 T CB 0.114 68.979 68.868 -0.006 0.000 0.962 309 T HN -0.130 nan 8.240 nan 0.000 0.506 310 D N 2.341 122.722 120.400 -0.032 0.000 2.699 310 D HA -0.113 4.528 4.640 0.001 0.000 0.239 310 D C -0.216 176.055 176.300 -0.049 0.000 1.136 310 D CA 1.448 55.428 54.000 -0.033 0.000 0.668 310 D CB -1.716 39.107 40.800 0.038 0.000 1.060 310 D HN 0.797 nan 8.370 nan 0.000 0.429 311 T N -2.660 111.849 114.554 -0.074 0.000 2.863 311 T HA 0.821 5.172 4.350 0.001 0.000 0.285 311 T C -0.189 174.458 174.700 -0.088 0.000 1.009 311 T CA -0.518 61.555 62.100 -0.045 0.000 0.989 311 T CB 2.743 71.607 68.868 -0.007 0.000 1.004 311 T HN 0.307 nan 8.240 nan 0.000 0.455 312 A N 1.760 124.546 122.820 -0.056 0.000 2.386 312 A HA 0.824 5.145 4.320 0.001 0.000 0.311 312 A C -0.602 177.014 177.584 0.053 0.000 1.068 312 A CA -0.808 51.185 52.037 -0.072 0.000 0.743 312 A CB 1.609 20.492 19.000 -0.195 0.000 1.258 312 A HN 0.946 nan 8.150 nan 0.000 0.429 313 E N 1.301 121.583 120.200 0.137 0.000 2.317 313 E HA 0.701 5.052 4.350 0.001 0.000 0.270 313 E C -1.756 175.039 176.600 0.324 0.000 0.885 313 E CA -0.537 55.990 56.400 0.211 0.000 0.760 313 E CB 1.685 31.562 29.700 0.296 0.000 1.227 313 E HN 0.596 nan 8.360 nan 0.000 0.434 314 I N 3.267 123.912 120.570 0.125 0.000 2.499 314 I HA 0.494 4.665 4.170 0.001 0.000 0.288 314 I C -0.398 175.601 176.117 -0.198 0.000 1.048 314 I CA -0.617 60.772 61.300 0.147 0.000 1.062 314 I CB 1.907 39.994 38.000 0.145 0.000 1.238 314 I HN 0.340 nan 8.210 nan 0.000 0.426 315 R N 4.942 125.235 120.500 -0.346 0.000 2.808 315 R HA 0.669 5.010 4.340 0.001 0.000 0.272 315 R C -1.140 175.090 176.300 -0.117 0.000 0.995 315 R CA -1.095 54.644 56.100 -0.602 0.000 0.917 315 R CB 2.519 31.941 30.300 -1.464 0.000 1.217 315 R HN 0.443 nan 8.270 nan 0.000 0.471 316 L N 2.132 123.312 121.223 -0.072 0.000 2.467 316 L HA 0.208 4.548 4.340 0.001 0.000 0.270 316 L C 0.576 177.530 176.870 0.140 0.000 1.205 316 L CA 0.175 55.051 54.840 0.061 0.000 0.828 316 L CB 0.252 42.315 42.059 0.006 0.000 1.101 316 L HN 0.422 nan 8.230 nan 0.000 0.479 317 M N 1.623 121.313 119.600 0.150 0.000 2.238 317 M HA -0.034 4.447 4.480 0.001 0.000 0.350 317 M C 0.881 177.197 176.300 0.026 0.000 1.321 317 M CA 0.063 55.394 55.300 0.051 0.000 1.097 317 M CB 0.768 33.344 32.600 -0.040 0.000 1.713 317 M HN 0.772 nan 8.290 nan 0.000 0.455 318 c N 2.304 120.904 118.600 0.000 0.000 2.563 318 c HA 0.035 4.606 4.570 0.001 0.000 0.268 318 c C 1.563 175.651 174.090 -0.002 0.000 1.365 318 c CA 0.227 56.565 56.329 0.015 0.000 1.754 318 c CB -0.424 42.094 42.510 0.013 0.000 1.932 318 c HN 0.890 nan 8.230 nan 0.000 0.536 319 T N 1.457 115.964 114.554 -0.079 0.000 2.933 319 T HA -0.040 4.311 4.350 0.001 0.000 0.306 319 T C 1.234 175.818 174.700 -0.194 0.000 1.045 319 T CA 0.805 62.815 62.100 -0.150 0.000 1.143 319 T CB 0.404 69.123 68.868 -0.248 0.000 1.003 319 T HN 0.782 nan 8.240 nan 0.000 0.540 320 E N 2.258 122.285 120.200 -0.288 0.000 2.409 320 E HA -0.034 4.317 4.350 0.001 0.000 0.198 320 E C 0.394 176.332 176.600 -1.103 0.000 1.024 320 E CA 0.482 56.524 56.400 -0.596 0.000 0.861 320 E CB -0.113 29.390 29.700 -0.328 0.000 0.788 320 E HN 0.489 nan 8.360 nan 0.000 0.521 321 T N 2.335 116.482 114.554 -0.678 0.000 3.579 321 T HA 0.117 4.468 4.350 0.001 0.000 0.328 321 T C -0.969 173.411 174.700 -0.534 0.000 1.481 321 T CA -0.490 61.255 62.100 -0.593 0.000 1.144 321 T CB -0.606 67.993 68.868 -0.448 0.000 1.205 321 T HN 0.089 nan 8.240 nan 0.000 0.812 322 Y N 1.486 121.658 120.300 -0.212 0.000 2.544 322 Y HA 0.125 4.675 4.550 0.001 0.000 0.330 322 Y C 1.287 177.056 175.900 -0.218 0.000 1.136 322 Y CA -1.174 56.813 58.100 -0.188 0.000 1.417 322 Y CB 0.018 38.403 38.460 -0.126 0.000 1.229 322 Y HN 0.445 nan 8.280 nan 0.000 0.532 323 L N 1.224 122.404 121.223 -0.072 0.000 2.529 323 L HA 0.088 4.429 4.340 0.001 0.000 0.223 323 L C 0.633 177.471 176.870 -0.053 0.000 1.113 323 L CA 0.188 54.948 54.840 -0.132 0.000 0.861 323 L CB -0.015 41.947 42.059 -0.161 0.000 1.012 323 L HN 0.578 nan 8.230 nan 0.000 0.461 324 D N -0.015 120.372 120.400 -0.021 0.000 2.383 324 D HA 0.251 4.892 4.640 0.001 0.000 0.248 324 D C -0.407 175.877 176.300 -0.027 0.000 1.170 324 D CA 0.293 54.280 54.000 -0.023 0.000 0.977 324 D CB 1.329 42.111 40.800 -0.030 0.000 1.120 324 D HN -0.184 nan 8.370 nan 0.000 0.481 325 T N 2.350 116.882 114.554 -0.037 0.000 2.937 325 T HA 0.438 4.789 4.350 0.001 0.000 0.297 325 T C -2.511 172.151 174.700 -0.063 0.000 0.991 325 T CA -1.102 60.969 62.100 -0.048 0.000 0.990 325 T CB 2.006 70.841 68.868 -0.054 0.000 0.991 325 T HN 0.186 nan 8.240 nan 0.000 0.440 326 P HA 0.521 nan 4.420 nan 0.000 0.274 326 P C -0.561 176.712 177.300 -0.045 0.000 1.260 326 P CA -0.688 62.379 63.100 -0.055 0.000 0.793 326 P CB 0.585 32.250 31.700 -0.058 0.000 1.048 327 R N -1.510 118.973 120.500 -0.028 0.000 2.663 327 R HA 0.606 4.947 4.340 0.001 0.000 0.267 327 R C -3.082 173.223 176.300 0.009 0.000 1.038 327 R CA -1.891 54.203 56.100 -0.009 0.000 0.886 327 R CB 0.569 30.898 30.300 0.047 0.000 1.249 327 R HN 0.168 nan 8.270 nan 0.000 0.463 328 P HA 0.148 nan 4.420 nan 0.000 0.297 328 P C -0.850 176.516 177.300 0.111 0.000 1.303 328 P CA -0.304 62.819 63.100 0.038 0.000 0.753 328 P CB 0.306 32.008 31.700 0.004 0.000 1.281 329 D N -0.083 120.369 120.400 0.088 0.000 2.400 329 D HA 0.044 4.685 4.640 0.001 0.000 0.238 329 D C -0.101 176.275 176.300 0.126 0.000 1.157 329 D CA 0.465 54.510 54.000 0.075 0.000 0.889 329 D CB -0.136 40.689 40.800 0.041 0.000 1.199 329 D HN 0.246 nan 8.370 nan 0.000 0.436 330 D N -0.023 120.367 120.400 -0.017 0.000 2.493 330 D HA 0.269 4.910 4.640 0.001 0.000 0.240 330 D C 1.564 177.793 176.300 -0.118 0.000 1.142 330 D CA 0.843 54.705 54.000 -0.230 0.000 0.872 330 D CB 0.579 41.227 40.800 -0.255 0.000 1.173 330 D HN 0.602 nan 8.370 nan 0.000 0.467 331 G N 1.772 110.475 108.800 -0.161 0.000 2.184 331 G HA2 -0.368 3.593 3.960 0.001 0.000 0.264 331 G HA3 -0.368 3.593 3.960 0.001 0.000 0.264 331 G C 1.182 176.163 174.900 0.134 0.000 0.975 331 G CA 0.936 46.048 45.100 0.020 0.000 0.642 331 G HN 0.606 nan 8.290 nan 0.000 0.536 332 S N -0.562 115.260 115.700 0.203 0.000 2.470 332 S HA 0.310 4.781 4.470 0.001 0.000 0.225 332 S C 1.177 175.825 174.600 0.080 0.000 1.006 332 S CA 0.478 58.747 58.200 0.115 0.000 0.934 332 S CB 0.012 63.267 63.200 0.091 0.000 0.778 332 S HN 0.570 nan 8.310 nan 0.000 0.517 333 I N 4.384 125.016 120.570 0.103 0.000 2.471 333 I HA 0.086 4.256 4.170 0.001 0.000 0.294 333 I C 0.949 177.079 176.117 0.020 0.000 1.123 333 I CA -0.259 61.026 61.300 -0.025 0.000 1.336 333 I CB -0.039 37.828 38.000 -0.221 0.000 1.430 333 I HN 0.271 nan 8.210 nan 0.000 0.533 334 T N 2.848 117.403 114.554 0.001 0.000 2.813 334 T HA 0.630 4.981 4.350 0.001 0.000 0.297 334 T C 0.657 175.352 174.700 -0.008 0.000 1.036 334 T CA 0.072 62.174 62.100 0.003 0.000 1.044 334 T CB 1.530 70.397 68.868 -0.002 0.000 0.993 334 T HN 1.026 nan 8.240 nan 0.000 0.535 335 G N 1.585 110.382 108.800 -0.005 0.000 2.660 335 G HA2 0.028 3.989 3.960 0.001 0.000 0.215 335 G HA3 0.028 3.989 3.960 0.001 0.000 0.215 335 G C -2.455 172.441 174.900 -0.007 0.000 1.345 335 G CA -0.468 44.626 45.100 -0.011 0.000 0.877 335 G HN 0.928 nan 8.290 nan 0.000 0.549 336 P HA 0.350 nan 4.420 nan 0.000 0.286 336 P C 1.362 178.655 177.300 -0.012 0.000 1.293 336 P CA 0.187 63.280 63.100 -0.012 0.000 0.770 336 P CB 0.217 31.906 31.700 -0.019 0.000 1.206 337 c N -0.203 118.391 118.600 -0.009 0.000 2.403 337 c HA -0.112 4.459 4.570 0.001 0.000 0.277 337 c C 2.377 176.450 174.090 -0.027 0.000 1.248 337 c CA 1.232 57.557 56.329 -0.006 0.000 1.762 337 c CB -1.454 41.056 42.510 0.001 0.000 2.014 337 c HN 0.649 nan 8.230 nan 0.000 0.486 338 E N 1.082 121.254 120.200 -0.047 0.000 2.478 338 E HA -0.011 4.340 4.350 0.001 0.000 0.198 338 E C 0.639 177.201 176.600 -0.064 0.000 1.046 338 E CA 0.328 56.687 56.400 -0.068 0.000 0.870 338 E CB -0.373 29.278 29.700 -0.081 0.000 0.818 338 E HN 0.441 nan 8.360 nan 0.000 0.527 339 S N 2.001 117.669 115.700 -0.054 0.000 2.549 339 S HA 0.075 4.546 4.470 0.001 0.000 0.283 339 S C 0.951 175.503 174.600 -0.079 0.000 1.320 339 S CA -0.536 57.628 58.200 -0.061 0.000 1.058 339 S CB 0.786 63.955 63.200 -0.051 0.000 0.882 339 S HN 0.183 nan 8.310 nan 0.000 0.498 340 N N 2.779 121.433 118.700 -0.076 0.000 2.062 340 N HA -0.029 4.712 4.740 0.001 0.000 0.191 340 N C 1.832 177.264 175.510 -0.129 0.000 1.042 340 N CA 1.501 54.505 53.050 -0.077 0.000 0.845 340 N CB -0.599 37.866 38.487 -0.037 0.000 1.024 340 N HN 0.682 nan 8.380 nan 0.000 0.424 341 G N -0.218 108.501 108.800 -0.134 0.000 2.641 341 G HA2 0.031 3.992 3.960 0.001 0.000 0.211 341 G HA3 0.031 3.992 3.960 0.001 0.000 0.211 341 G C 0.090 174.945 174.900 -0.074 0.000 1.190 341 G CA 0.153 45.204 45.100 -0.083 0.000 0.842 341 G HN 0.155 nan 8.290 nan 0.000 0.585 342 D N -0.968 119.373 120.400 -0.099 0.000 2.340 342 D HA 0.441 5.082 4.640 0.001 0.000 0.243 342 D C 0.046 176.290 176.300 -0.092 0.000 0.988 342 D CA -0.616 53.338 54.000 -0.077 0.000 0.959 342 D CB 1.645 42.409 40.800 -0.060 0.000 1.226 342 D HN 0.104 nan 8.370 nan 0.000 0.509 343 K N -0.402 119.956 120.400 -0.071 0.000 3.069 343 K HA -0.184 4.137 4.320 0.001 0.000 0.267 343 K C 1.027 177.574 176.600 -0.088 0.000 1.082 343 K CA 0.602 56.846 56.287 -0.072 0.000 0.782 343 K CB -1.148 31.313 32.500 -0.065 0.000 1.230 343 K HN 0.608 nan 8.250 nan 0.000 0.488 344 G N 0.076 108.822 108.800 -0.090 0.000 2.494 344 G HA2 -0.056 3.905 3.960 0.001 0.000 0.216 344 G HA3 -0.056 3.905 3.960 0.001 0.000 0.216 344 G C 0.289 175.107 174.900 -0.137 0.000 1.140 344 G CA 0.414 45.452 45.100 -0.102 0.000 0.801 344 G HN 0.485 nan 8.290 nan 0.000 0.536 345 S N 0.193 115.810 115.700 -0.139 0.000 2.562 345 S HA 0.519 4.990 4.470 0.001 0.000 0.281 345 S C 0.675 175.193 174.600 -0.136 0.000 1.333 345 S CA 0.178 58.277 58.200 -0.168 0.000 1.052 345 S CB 0.996 64.110 63.200 -0.143 0.000 0.884 345 S HN 1.729 nan 8.310 nan 0.000 0.506 346 G N 1.186 109.898 108.800 -0.145 0.000 2.795 346 G HA2 0.438 4.398 3.960 0.001 0.000 0.664 346 G HA3 0.438 4.398 3.960 0.001 0.000 0.664 346 G C -0.071 174.767 174.900 -0.103 0.000 1.381 346 G CA -0.308 44.730 45.100 -0.105 0.000 0.853 346 G HN 2.235 nan 8.290 nan 0.000 0.545 347 G N -1.494 107.265 108.800 -0.068 0.000 2.342 347 G HA2 0.705 4.665 3.960 0.001 0.000 0.297 347 G HA3 0.705 4.665 3.960 0.001 0.000 0.297 347 G C -1.450 173.437 174.900 -0.023 0.000 1.313 347 G CA 0.179 45.245 45.100 -0.056 0.000 0.830 347 G HN 1.888 nan 8.290 nan 0.000 0.506 348 I N -0.436 120.115 120.570 -0.031 0.000 2.842 348 I HA 0.487 4.658 4.170 0.001 0.000 0.297 348 I C -0.560 175.468 176.117 -0.148 0.000 1.380 348 I CA -0.943 60.339 61.300 -0.030 0.000 1.018 348 I CB 2.216 40.228 38.000 0.019 0.000 1.311 348 I HN 0.606 nan 8.210 nan 0.000 0.439 349 K N 3.872 124.002 120.400 -0.449 0.000 2.401 349 K HA 0.505 4.826 4.320 0.001 0.000 0.278 349 K C -0.343 176.203 176.600 -0.089 0.000 1.018 349 K CA 0.074 56.130 56.287 -0.385 0.000 0.981 349 K CB 0.897 32.942 32.500 -0.758 0.000 0.933 349 K HN 0.762 nan 8.250 nan 0.000 0.477 350 G N 1.659 110.474 108.800 0.025 0.000 2.519 350 G HA2 0.547 4.508 3.960 0.001 0.000 0.307 350 G HA3 0.547 4.508 3.960 0.001 0.000 0.307 350 G C -0.661 174.355 174.900 0.193 0.000 1.266 350 G CA -0.957 44.211 45.100 0.113 0.000 0.970 350 G HN 0.721 nan 8.290 nan 0.000 0.481 351 G N -1.116 107.812 108.800 0.213 0.000 2.476 351 G HA2 0.589 4.550 3.960 0.001 0.000 0.269 351 G HA3 0.589 4.550 3.960 0.001 0.000 0.269 351 G C -1.373 173.721 174.900 0.323 0.000 1.195 351 G CA -0.343 44.897 45.100 0.234 0.000 0.843 351 G HN 0.932 nan 8.290 nan 0.000 0.545 352 F N 1.177 121.156 119.950 0.048 0.000 2.688 352 F HA 0.512 5.040 4.527 0.001 0.000 0.332 352 F C -1.575 174.164 175.800 -0.102 0.000 1.131 352 F CA -1.114 56.825 58.000 -0.102 0.000 1.113 352 F CB 1.056 40.011 39.000 -0.075 0.000 1.359 352 F HN 0.623 nan 8.300 nan 0.000 0.551 353 V N 5.627 125.156 119.914 -0.642 0.000 3.012 353 V HA 0.540 4.661 4.120 0.001 0.000 0.307 353 V C -1.497 174.259 176.094 -0.563 0.000 1.166 353 V CA -0.524 61.436 62.300 -0.567 0.000 0.974 353 V CB 2.404 34.151 31.823 -0.126 0.000 1.040 353 V HN 0.853 nan 8.190 nan 0.000 0.428 354 H N 3.244 122.152 119.070 -0.271 0.000 2.467 354 H HA 0.546 5.103 4.556 0.001 0.000 0.331 354 H C -0.241 175.151 175.328 0.108 0.000 1.120 354 H CA -0.101 55.911 56.048 -0.060 0.000 1.270 354 H CB 1.321 31.046 29.762 -0.062 0.000 1.466 354 H HN 0.639 nan 8.280 nan 0.000 0.504 355 Q N 3.295 123.310 119.800 0.358 0.000 2.368 355 Q HA 0.309 4.650 4.340 0.001 0.000 0.263 355 Q C -0.853 175.313 176.000 0.277 0.000 1.009 355 Q CA -0.916 55.087 55.803 0.335 0.000 0.818 355 Q CB 0.545 29.606 28.738 0.539 0.000 1.239 355 Q HN 0.621 nan 8.270 nan 0.000 0.464 356 R N 3.991 124.607 120.500 0.194 0.000 2.207 356 R HA 0.422 4.763 4.340 0.001 0.000 0.334 356 R C -0.512 175.861 176.300 0.121 0.000 1.013 356 R CA 0.033 56.220 56.100 0.145 0.000 0.858 356 R CB 1.015 31.373 30.300 0.096 0.000 1.094 356 R HN 0.557 nan 8.270 nan 0.000 0.457 357 M N 0.690 120.363 119.600 0.120 0.000 2.762 357 M HA 0.392 4.873 4.480 0.001 0.000 0.306 357 M C 1.206 177.542 176.300 0.060 0.000 1.223 357 M CA -0.515 54.838 55.300 0.089 0.000 0.896 357 M CB 1.586 34.243 32.600 0.095 0.000 1.684 357 M HN 0.656 nan 8.290 nan 0.000 0.491 358 A N 0.011 122.855 122.820 0.040 0.000 1.859 358 A HA -0.121 4.200 4.320 0.001 0.000 0.218 358 A C 1.597 179.197 177.584 0.027 0.000 1.209 358 A CA 2.252 54.304 52.037 0.026 0.000 0.639 358 A CB -0.689 18.321 19.000 0.016 0.000 0.835 358 A HN 0.710 nan 8.150 nan 0.000 0.450 359 S N -1.016 114.700 115.700 0.027 0.000 2.711 359 S HA 0.377 4.848 4.470 0.001 0.000 0.247 359 S C -0.155 174.466 174.600 0.034 0.000 1.079 359 S CA -0.343 57.871 58.200 0.024 0.000 1.050 359 S CB 0.000 63.208 63.200 0.013 0.000 0.885 359 S HN 0.521 nan 8.310 nan 0.000 0.498 360 K N 1.206 121.640 120.400 0.056 0.000 2.562 360 K HA 0.507 4.828 4.320 0.001 0.000 0.267 360 K C -2.034 174.648 176.600 0.138 0.000 0.938 360 K CA -0.539 55.799 56.287 0.085 0.000 0.840 360 K CB 1.958 34.494 32.500 0.060 0.000 1.390 360 K HN 0.197 nan 8.250 nan 0.000 0.428 361 I N 1.641 122.317 120.570 0.178 0.000 2.509 361 I HA 0.537 4.708 4.170 0.001 0.000 0.293 361 I C -0.458 175.824 176.117 0.275 0.000 1.020 361 I CA -0.491 60.938 61.300 0.215 0.000 1.088 361 I CB 1.819 39.924 38.000 0.174 0.000 1.267 361 I HN 0.720 nan 8.210 nan 0.000 0.430 362 G N 6.543 115.500 108.800 0.261 0.000 2.416 362 G HA2 0.562 4.522 3.960 0.001 0.000 0.324 362 G HA3 0.562 4.522 3.960 0.001 0.000 0.324 362 G C -0.987 173.859 174.900 -0.090 0.000 1.194 362 G CA -0.649 44.407 45.100 -0.074 0.000 0.922 362 G HN 0.591 nan 8.290 nan 0.000 0.467 363 R N 1.357 121.680 120.500 -0.294 0.000 2.310 363 R HA 0.324 4.665 4.340 0.001 0.000 0.324 363 R C -1.263 174.767 176.300 -0.451 0.000 0.955 363 R CA -0.512 55.462 56.100 -0.211 0.000 0.830 363 R CB 1.726 32.058 30.300 0.052 0.000 1.154 363 R HN 0.544 nan 8.270 nan 0.000 0.458 364 W N 2.744 123.790 121.300 -0.423 0.000 2.551 364 W HA 0.432 5.093 4.660 0.001 0.000 0.330 364 W C -0.406 175.892 176.519 -0.368 0.000 1.063 364 W CA -0.184 56.943 57.345 -0.364 0.000 1.222 364 W CB 0.945 30.135 29.460 -0.450 0.000 1.349 364 W HN 0.425 nan 8.180 nan 0.000 0.536 365 Y N 0.682 121.112 120.300 0.216 0.000 2.588 365 Y HA 0.555 5.106 4.550 0.001 0.000 0.343 365 Y C 0.094 176.093 175.900 0.165 0.000 1.065 365 Y CA -1.297 56.921 58.100 0.196 0.000 1.038 365 Y CB 2.216 40.730 38.460 0.090 0.000 1.297 365 Y HN 0.311 nan 8.280 nan 0.000 0.467 366 S N 1.560 117.447 115.700 0.311 0.000 2.568 366 S HA 0.954 5.425 4.470 0.001 0.000 0.293 366 S C -1.126 173.570 174.600 0.160 0.000 1.089 366 S CA -1.048 57.292 58.200 0.234 0.000 0.945 366 S CB 2.636 65.920 63.200 0.140 0.000 1.077 366 S HN 0.839 nan 8.310 nan 0.000 0.485 367 R N -0.529 120.059 120.500 0.147 0.000 2.707 367 R HA 0.613 4.954 4.340 0.001 0.000 0.272 367 R C -0.686 175.670 176.300 0.093 0.000 1.011 367 R CA -0.742 55.393 56.100 0.059 0.000 0.893 367 R CB 0.618 30.865 30.300 -0.088 0.000 1.233 367 R HN 0.745 nan 8.270 nan 0.000 0.464 368 T N 0.250 114.839 114.554 0.057 0.000 2.939 368 T HA -0.003 4.348 4.350 0.001 0.000 0.319 368 T C 1.141 175.877 174.700 0.060 0.000 1.082 368 T CA -0.361 61.770 62.100 0.052 0.000 1.133 368 T CB 0.439 69.314 68.868 0.013 0.000 1.019 368 T HN 0.611 nan 8.240 nan 0.000 0.548 369 M N 1.969 121.605 119.600 0.061 0.000 2.117 369 M HA 0.075 4.555 4.480 0.001 0.000 0.262 369 M C 1.539 177.860 176.300 0.036 0.000 1.065 369 M CA 1.104 56.440 55.300 0.058 0.000 1.114 369 M CB -0.742 31.885 32.600 0.045 0.000 1.361 369 M HN 0.822 nan 8.290 nan 0.000 0.408 370 S N 0.026 115.737 115.700 0.019 0.000 2.523 370 S HA 0.115 4.586 4.470 0.001 0.000 0.275 370 S C 1.046 175.643 174.600 -0.006 0.000 1.281 370 S CA -0.338 57.864 58.200 0.004 0.000 1.050 370 S CB 0.581 63.776 63.200 -0.008 0.000 0.937 370 S HN 0.333 nan 8.310 nan 0.000 0.492 371 K N 2.655 123.053 120.400 -0.004 0.000 2.283 371 K HA -0.026 4.295 4.320 0.001 0.000 0.202 371 K C 1.286 177.872 176.600 -0.023 0.000 1.048 371 K CA 1.426 57.708 56.287 -0.008 0.000 0.948 371 K CB 0.009 32.510 32.500 0.002 0.000 0.742 371 K HN 0.604 nan 8.250 nan 0.000 0.458 372 T N -0.011 114.524 114.554 -0.031 0.000 3.026 372 T HA 0.103 4.454 4.350 0.001 0.000 0.245 372 T C 0.401 175.061 174.700 -0.066 0.000 1.004 372 T CA 0.247 62.321 62.100 -0.044 0.000 1.069 372 T CB 0.482 69.329 68.868 -0.034 0.000 1.005 372 T HN 0.029 nan 8.240 nan 0.000 0.472 373 K N 1.112 121.472 120.400 -0.067 0.000 2.211 373 K HA 0.536 4.857 4.320 0.001 0.000 0.237 373 K C -0.259 176.258 176.600 -0.139 0.000 1.002 373 K CA -0.844 55.383 56.287 -0.100 0.000 0.885 373 K CB 1.444 33.906 32.500 -0.062 0.000 1.136 373 K HN -0.122 nan 8.250 nan 0.000 0.448 374 R N 1.225 121.579 120.500 -0.243 0.000 4.518 374 R HA 0.227 4.568 4.340 0.001 0.000 0.243 374 R C -0.529 175.692 176.300 -0.131 0.000 1.720 374 R CA -0.085 55.810 56.100 -0.343 0.000 1.526 374 R CB 0.021 29.743 30.300 -0.963 0.000 1.425 374 R HN 0.233 nan 8.270 nan 0.000 0.787 375 M N 0.559 120.140 119.600 -0.032 0.000 2.253 375 M HA 0.384 4.864 4.480 0.001 0.000 0.314 375 M C 0.388 176.714 176.300 0.043 0.000 1.019 375 M CA -0.490 54.832 55.300 0.037 0.000 0.932 375 M CB 1.615 34.230 32.600 0.025 0.000 1.606 375 M HN 0.533 nan 8.290 nan 0.000 0.430 376 G N 2.971 111.811 108.800 0.066 0.000 2.781 376 G HA2 0.031 3.992 3.960 0.001 0.000 0.683 376 G HA3 0.031 3.992 3.960 0.001 0.000 0.683 376 G C -1.325 173.613 174.900 0.063 0.000 1.390 376 G CA -0.713 44.420 45.100 0.055 0.000 0.850 376 G HN 0.728 nan 8.290 nan 0.000 0.557 377 M N 0.505 120.133 119.600 0.047 0.000 2.294 377 M HA 0.643 5.124 4.480 0.001 0.000 0.280 377 M C -0.052 176.259 176.300 0.017 0.000 1.085 377 M CA 0.518 55.848 55.300 0.050 0.000 0.969 377 M CB 1.711 34.340 32.600 0.047 0.000 1.770 377 M HN 1.892 nan 8.290 nan 0.000 0.485 378 G N 3.091 111.945 108.800 0.090 0.000 2.420 378 G HA2 0.695 4.656 3.960 0.001 0.000 0.331 378 G HA3 0.695 4.656 3.960 0.001 0.000 0.331 378 G C -2.175 172.771 174.900 0.078 0.000 1.168 378 G CA -0.627 44.500 45.100 0.045 0.000 0.936 378 G HN 0.734 nan 8.290 nan 0.000 0.479 379 L N 0.891 122.032 121.223 -0.137 0.000 2.317 379 L HA 0.767 5.108 4.340 0.001 0.000 0.281 379 L C -1.390 175.375 176.870 -0.174 0.000 1.024 379 L CA -0.989 53.820 54.840 -0.051 0.000 0.810 379 L CB 1.049 43.040 42.059 -0.113 0.000 1.240 379 L HN 0.529 nan 8.230 nan 0.000 0.427 380 Y N 3.210 123.531 120.300 0.035 0.000 2.524 380 Y HA 0.738 5.289 4.550 0.001 0.000 0.347 380 Y C -0.682 175.165 175.900 -0.089 0.000 1.005 380 Y CA -0.795 57.297 58.100 -0.013 0.000 1.025 380 Y CB 2.380 40.837 38.460 -0.004 0.000 1.275 380 Y HN 0.416 nan 8.280 nan 0.000 0.460 381 V N 2.703 122.524 119.914 -0.154 0.000 2.971 381 V HA 0.694 4.814 4.120 0.001 0.000 0.309 381 V C -1.700 174.149 176.094 -0.407 0.000 1.130 381 V CA -0.779 61.157 62.300 -0.607 0.000 0.964 381 V CB 2.244 33.143 31.823 -1.540 0.000 1.029 381 V HN 0.793 nan 8.190 nan 0.000 0.427 382 K N 3.926 124.047 120.400 -0.466 0.000 2.535 382 K HA 0.572 4.893 4.320 0.001 0.000 0.251 382 K C -2.207 174.155 176.600 -0.397 0.000 0.942 382 K CA -0.556 55.549 56.287 -0.303 0.000 0.798 382 K CB 1.889 34.328 32.500 -0.102 0.000 1.267 382 K HN 0.661 nan 8.250 nan 0.000 0.434 383 Y N 2.864 123.109 120.300 -0.092 0.000 2.342 383 Y HA 0.245 4.795 4.550 0.001 0.000 0.334 383 Y C 0.452 176.339 175.900 -0.021 0.000 1.067 383 Y CA 0.137 58.206 58.100 -0.052 0.000 1.128 383 Y CB 1.085 39.516 38.460 -0.048 0.000 1.200 383 Y HN 0.799 nan 8.280 nan 0.000 0.464 384 D N 0.342 120.833 120.400 0.150 0.000 3.831 384 D HA -0.142 4.499 4.640 0.001 0.000 0.276 384 D C 0.606 176.925 176.300 0.032 0.000 2.100 384 D CA 1.706 55.757 54.000 0.085 0.000 1.140 384 D CB -0.800 40.048 40.800 0.080 0.000 0.949 384 D HN 1.097 nan 8.370 nan 0.000 1.144 385 G N -0.101 108.706 108.800 0.011 0.000 2.750 385 G HA2 0.044 4.005 3.960 0.001 0.000 0.228 385 G HA3 0.044 4.005 3.960 0.001 0.000 0.228 385 G C -0.948 173.918 174.900 -0.056 0.000 1.367 385 G CA 0.564 45.652 45.100 -0.019 0.000 0.871 385 G HN 0.862 nan 8.290 nan 0.000 0.560 386 D N 0.036 120.387 120.400 -0.080 0.000 2.471 386 D HA 0.600 5.240 4.640 0.001 0.000 0.245 386 D C -1.245 174.939 176.300 -0.195 0.000 1.116 386 D CA -2.136 51.779 54.000 -0.142 0.000 0.853 386 D CB 1.722 42.480 40.800 -0.071 0.000 1.123 386 D HN 0.003 nan 8.370 nan 0.000 0.540 387 P HA -0.053 nan 4.420 nan 0.000 0.223 387 P C 0.949 178.119 177.300 -0.217 0.000 1.144 387 P CA 0.653 63.465 63.100 -0.481 0.000 0.783 387 P CB 0.142 31.152 31.700 -1.150 0.000 0.771 388 W N -0.169 120.975 121.300 -0.260 0.000 2.584 388 W HA 0.061 4.722 4.660 0.001 0.000 0.264 388 W C 1.824 178.287 176.519 -0.092 0.000 1.264 388 W CA 1.761 59.024 57.345 -0.137 0.000 1.306 388 W CB -1.526 27.894 29.460 -0.065 0.000 1.110 388 W HN 0.140 nan 8.180 nan 0.000 0.606 389 T N -4.962 109.664 114.554 0.121 0.000 2.958 389 T HA 0.101 4.452 4.350 0.001 0.000 0.256 389 T C -0.060 174.646 174.700 0.010 0.000 0.983 389 T CA -0.179 61.958 62.100 0.062 0.000 0.924 389 T CB -0.043 68.865 68.868 0.066 0.000 1.136 389 T HN -0.318 nan 8.240 nan 0.000 0.506 390 D N 3.166 123.553 120.400 -0.021 0.000 2.348 390 D HA 0.279 4.919 4.640 0.001 0.000 0.259 390 D C 1.194 177.462 176.300 -0.053 0.000 1.296 390 D CA 0.104 54.078 54.000 -0.044 0.000 0.931 390 D CB 1.064 41.822 40.800 -0.070 0.000 1.067 390 D HN 0.430 nan 8.370 nan 0.000 0.503 391 S N 1.185 116.862 115.700 -0.038 0.000 2.562 391 S HA -0.037 4.433 4.470 0.001 0.000 0.221 391 S C 0.652 175.212 174.600 -0.067 0.000 0.975 391 S CA -0.377 57.798 58.200 -0.042 0.000 0.918 391 S CB 0.186 63.375 63.200 -0.019 0.000 0.772 391 S HN 0.283 nan 8.310 nan 0.000 0.531 392 D N 2.827 123.188 120.400 -0.065 0.000 2.419 392 D HA 0.423 5.064 4.640 0.001 0.000 0.236 392 D C 0.393 176.632 176.300 -0.102 0.000 1.165 392 D CA 0.465 54.424 54.000 -0.069 0.000 0.882 392 D CB 0.647 41.416 40.800 -0.051 0.000 1.201 392 D HN 0.437 nan 8.370 nan 0.000 0.443 393 A N 1.714 124.476 122.820 -0.096 0.000 2.407 393 A HA 0.234 4.555 4.320 0.001 0.000 0.248 393 A C -0.122 177.410 177.584 -0.088 0.000 1.082 393 A CA -0.426 51.543 52.037 -0.113 0.000 0.785 393 A CB 0.181 19.131 19.000 -0.083 0.000 1.020 393 A HN 0.382 nan 8.150 nan 0.000 0.489 394 L N 1.378 122.542 121.223 -0.099 0.000 2.426 394 L HA 0.413 4.754 4.340 0.001 0.000 0.271 394 L C 0.997 177.910 176.870 0.071 0.000 1.169 394 L CA 0.481 55.302 54.840 -0.032 0.000 0.836 394 L CB 0.655 42.678 42.059 -0.060 0.000 1.112 394 L HN 0.768 nan 8.230 nan 0.000 0.465 395 A N 3.673 126.506 122.820 0.021 0.000 2.362 395 A HA 0.412 4.733 4.320 0.001 0.000 0.276 395 A C -0.369 177.184 177.584 -0.052 0.000 1.153 395 A CA -0.496 51.536 52.037 -0.008 0.000 0.813 395 A CB -0.013 18.963 19.000 -0.038 0.000 1.081 395 A HN 0.627 nan 8.150 nan 0.000 0.507 396 L N 3.620 124.763 121.223 -0.134 0.000 2.433 396 L HA 0.237 4.578 4.340 0.001 0.000 0.275 396 L C 1.291 177.999 176.870 -0.269 0.000 1.128 396 L CA 0.957 55.526 54.840 -0.451 0.000 0.875 396 L CB 0.798 42.620 42.059 -0.396 0.000 1.171 396 L HN 0.731 nan 8.230 nan 0.000 0.463 397 S N 3.104 118.642 115.700 -0.271 0.000 2.387 397 S HA 0.489 4.960 4.470 0.001 0.000 0.221 397 S C 0.596 175.170 174.600 -0.044 0.000 1.041 397 S CA 0.484 58.648 58.200 -0.061 0.000 0.959 397 S CB -0.112 63.145 63.200 0.096 0.000 0.843 397 S HN 1.025 nan 8.310 nan 0.000 0.488 398 G N -0.345 108.383 108.800 -0.120 0.000 2.451 398 G HA2 0.437 4.397 3.960 0.001 0.000 0.292 398 G HA3 0.437 4.397 3.960 0.001 0.000 0.292 398 G C -1.883 172.944 174.900 -0.121 0.000 1.427 398 G CA -0.513 44.543 45.100 -0.074 0.000 0.792 398 G HN 0.202 nan 8.290 nan 0.000 0.498 399 V N 1.776 121.651 119.914 -0.065 0.000 2.348 399 V HA 0.262 4.383 4.120 0.001 0.000 0.270 399 V C 1.189 177.233 176.094 -0.083 0.000 1.037 399 V CA -0.099 62.161 62.300 -0.066 0.000 0.872 399 V CB 0.902 32.714 31.823 -0.018 0.000 1.002 399 V HN 0.781 nan 8.190 nan 0.000 0.464 400 M N 3.858 123.331 119.600 -0.211 0.000 2.287 400 M HA 0.106 4.587 4.480 0.001 0.000 0.266 400 M C 0.118 176.360 176.300 -0.096 0.000 1.079 400 M CA 1.274 56.315 55.300 -0.432 0.000 1.146 400 M CB 0.358 32.406 32.600 -0.918 0.000 1.374 400 M HN 0.446 nan 8.290 nan 0.000 0.435 401 V N 0.697 120.584 119.914 -0.045 0.000 2.577 401 V HA 0.259 4.380 4.120 0.001 0.000 0.303 401 V C -0.052 176.053 176.094 0.017 0.000 1.042 401 V CA -1.152 61.160 62.300 0.020 0.000 0.872 401 V CB 1.691 33.543 31.823 0.050 0.000 0.998 401 V HN 0.351 nan 8.190 nan 0.000 0.423 402 S N 4.259 119.968 115.700 0.015 0.000 2.593 402 S HA 0.238 4.709 4.470 0.001 0.000 0.269 402 S C 1.128 175.743 174.600 0.024 0.000 1.334 402 S CA -0.250 57.959 58.200 0.015 0.000 1.015 402 S CB 0.710 63.913 63.200 0.005 0.000 0.912 402 S HN 0.739 nan 8.310 nan 0.000 0.541 403 M N 0.766 120.381 119.600 0.024 0.000 2.260 403 M HA -0.118 4.363 4.480 0.001 0.000 0.261 403 M C 1.393 177.710 176.300 0.028 0.000 1.066 403 M CA 1.739 57.054 55.300 0.026 0.000 1.082 403 M CB -0.805 31.808 32.600 0.022 0.000 1.388 403 M HN 0.843 nan 8.290 nan 0.000 0.419 404 E N 0.036 120.250 120.200 0.024 0.000 2.371 404 E HA 0.034 4.385 4.350 0.001 0.000 0.194 404 E C 0.082 176.701 176.600 0.031 0.000 1.012 404 E CA 0.460 56.874 56.400 0.023 0.000 0.860 404 E CB 0.131 29.840 29.700 0.014 0.000 0.811 404 E HN 0.464 nan 8.360 nan 0.000 0.502 405 E N 0.531 120.753 120.200 0.037 0.000 2.222 405 E HA 0.275 4.626 4.350 0.001 0.000 0.267 405 E C -2.439 174.210 176.600 0.081 0.000 0.963 405 E CA -2.493 53.936 56.400 0.048 0.000 0.837 405 E CB 1.191 30.913 29.700 0.036 0.000 1.183 405 E HN -0.081 nan 8.360 nan 0.000 0.403 406 P HA 0.167 nan 4.420 nan 0.000 0.276 406 P C -0.415 177.033 177.300 0.246 0.000 1.230 406 P CA -0.324 62.903 63.100 0.211 0.000 0.776 406 P CB 0.658 32.466 31.700 0.181 0.000 0.888 407 G N 2.485 111.467 108.800 0.303 0.000 2.938 407 G HA2 0.399 4.360 3.960 0.001 0.000 0.308 407 G HA3 0.399 4.360 3.960 0.001 0.000 0.308 407 G C -0.909 174.189 174.900 0.330 0.000 1.422 407 G CA -0.380 44.877 45.100 0.261 0.000 1.071 407 G HN 0.341 nan 8.290 nan 0.000 0.530 408 W N 0.815 122.185 121.300 0.115 0.000 2.055 408 W HA 0.518 5.179 4.660 0.001 0.000 0.644 408 W C 0.304 177.022 176.519 0.332 0.000 1.508 408 W CA -0.762 56.694 57.345 0.185 0.000 0.956 408 W CB -0.499 29.021 29.460 0.101 0.000 3.478 408 W HN 0.313 nan 8.180 nan 0.000 0.744 409 Y N 1.707 122.271 120.300 0.441 0.000 2.788 409 Y HA 0.196 4.747 4.550 0.001 0.000 0.341 409 Y C 0.759 176.869 175.900 0.350 0.000 1.258 409 Y CA -0.520 57.794 58.100 0.355 0.000 1.503 409 Y CB -0.564 38.126 38.460 0.384 0.000 1.325 409 Y HN 0.026 nan 8.280 nan 0.000 0.614 410 S N 3.186 119.140 115.700 0.423 0.000 2.549 410 S HA 0.882 5.353 4.470 0.001 0.000 0.280 410 S C -1.181 173.632 174.600 0.356 0.000 1.109 410 S CA -0.945 57.433 58.200 0.296 0.000 0.905 410 S CB 1.847 65.141 63.200 0.157 0.000 1.081 410 S HN 0.440 nan 8.310 nan 0.000 0.477 411 F N -0.893 119.241 119.950 0.306 0.000 2.629 411 F HA 0.969 5.497 4.527 0.001 0.000 0.316 411 F C 0.110 176.112 175.800 0.337 0.000 1.081 411 F CA -1.097 57.085 58.000 0.304 0.000 0.954 411 F CB 0.835 40.039 39.000 0.340 0.000 1.337 411 F HN 0.855 nan 8.300 nan 0.000 0.474 412 G N 0.551 109.616 108.800 0.441 0.000 2.389 412 G HA2 0.676 4.637 3.960 0.001 0.000 0.328 412 G HA3 0.676 4.637 3.960 0.001 0.000 0.328 412 G C -1.724 173.515 174.900 0.564 0.000 1.133 412 G CA -0.814 44.477 45.100 0.318 0.000 0.891 412 G HN 0.995 nan 8.290 nan 0.000 0.485 413 F N -1.347 118.755 119.950 0.254 0.000 2.713 413 F HA 0.725 5.253 4.527 0.001 0.000 0.311 413 F C -0.905 174.992 175.800 0.163 0.000 1.141 413 F CA -1.378 56.772 58.000 0.250 0.000 0.939 413 F CB 1.464 40.677 39.000 0.355 0.000 1.325 413 F HN 0.424 nan 8.300 nan 0.000 0.453 414 E N 2.292 122.632 120.200 0.234 0.000 2.210 414 E HA 0.545 4.896 4.350 0.001 0.000 0.266 414 E C -1.143 175.583 176.600 0.209 0.000 0.883 414 E CA -0.812 55.639 56.400 0.084 0.000 0.761 414 E CB 3.022 32.780 29.700 0.097 0.000 1.156 414 E HN 0.528 nan 8.360 nan 0.000 0.412 415 I N 2.388 123.021 120.570 0.105 0.000 2.365 415 I HA 0.196 4.367 4.170 0.001 0.000 0.291 415 I C 0.024 176.182 176.117 0.068 0.000 1.004 415 I CA -0.900 60.486 61.300 0.142 0.000 1.311 415 I CB 0.647 38.718 38.000 0.119 0.000 1.401 415 I HN 0.135 nan 8.210 nan 0.000 0.491 416 K N 4.514 124.956 120.400 0.070 0.000 2.284 416 K HA 0.203 4.523 4.320 0.001 0.000 0.287 416 K C -0.431 176.182 176.600 0.021 0.000 1.081 416 K CA -0.227 56.082 56.287 0.037 0.000 0.910 416 K CB 0.175 32.691 32.500 0.026 0.000 1.088 416 K HN 0.387 nan 8.250 nan 0.000 0.478 417 D N 1.521 121.926 120.400 0.010 0.000 2.478 417 D HA 0.167 4.808 4.640 0.001 0.000 0.269 417 D C 0.766 177.068 176.300 0.003 0.000 1.232 417 D CA -0.270 53.731 54.000 0.002 0.000 1.059 417 D CB 0.954 41.749 40.800 -0.008 0.000 1.104 417 D HN 0.250 nan 8.370 nan 0.000 0.566 418 K N -0.321 120.079 120.400 -0.000 0.000 2.103 418 K HA -0.088 4.233 4.320 0.001 0.000 0.207 418 K C 1.018 177.619 176.600 0.002 0.000 1.048 418 K CA 1.311 57.598 56.287 0.000 0.000 0.930 418 K CB 0.169 32.668 32.500 -0.002 0.000 0.716 418 K HN 0.255 nan 8.250 nan 0.000 0.444 419 K N -1.098 119.303 120.400 0.002 0.000 2.554 419 K HA 0.111 4.431 4.320 0.001 0.000 0.211 419 K C -0.314 176.288 176.600 0.004 0.000 1.226 419 K CA -0.097 56.191 56.287 0.003 0.000 1.025 419 K CB 1.211 33.711 32.500 0.000 0.000 1.021 419 K HN 0.233 nan 8.250 nan 0.000 0.600 420 c N -1.187 117.416 118.600 0.004 0.000 3.323 420 c HA 0.605 5.175 4.570 0.001 0.000 0.324 420 c C -1.628 172.465 174.090 0.005 0.000 1.428 420 c CA -1.211 55.121 56.329 0.006 0.000 1.368 420 c CB 1.460 43.973 42.510 0.004 0.000 1.731 420 c HN -0.007 nan 8.230 nan 0.000 0.455 421 D N 0.591 120.996 120.400 0.008 0.000 2.185 421 D HA 0.601 5.242 4.640 0.001 0.000 0.247 421 D C -0.754 175.532 176.300 -0.023 0.000 1.027 421 D CA -0.191 53.813 54.000 0.007 0.000 0.861 421 D CB 2.044 42.861 40.800 0.029 0.000 1.202 421 D HN 0.530 nan 8.370 nan 0.000 0.453 422 V N 4.158 124.042 119.914 -0.050 0.000 2.313 422 V HA 0.305 4.426 4.120 0.001 0.000 0.278 422 V C -2.184 173.784 176.094 -0.209 0.000 1.017 422 V CA -1.595 60.625 62.300 -0.133 0.000 0.823 422 V CB 1.403 33.141 31.823 -0.141 0.000 1.010 422 V HN 0.386 nan 8.190 nan 0.000 0.443 423 P HA 0.336 nan 4.420 nan 0.000 0.276 423 P C -0.721 176.248 177.300 -0.551 0.000 1.230 423 P CA -0.108 62.825 63.100 -0.279 0.000 0.776 423 P CB 1.051 32.678 31.700 -0.121 0.000 0.888 424 c N 3.609 121.886 118.600 -0.540 0.000 3.090 424 c HA 0.608 5.179 4.570 0.001 0.000 0.305 424 c C -0.514 173.407 174.090 -0.282 0.000 1.292 424 c CA -0.481 55.470 56.329 -0.629 0.000 1.482 424 c CB 1.841 43.570 42.510 -1.302 0.000 1.897 424 c HN 0.439 nan 8.230 nan 0.000 0.469 425 I N 1.991 122.584 120.570 0.039 0.000 2.498 425 I HA 0.574 4.745 4.170 0.001 0.000 0.290 425 I C 0.468 176.611 176.117 0.043 0.000 1.032 425 I CA 0.189 61.531 61.300 0.069 0.000 1.073 425 I CB 1.248 39.316 38.000 0.113 0.000 1.251 425 I HN 0.900 nan 8.210 nan 0.000 0.426 426 G N 6.250 114.854 108.800 -0.326 0.000 2.417 426 G HA2 0.804 4.765 3.960 0.001 0.000 0.334 426 G HA3 0.804 4.765 3.960 0.001 0.000 0.334 426 G C -0.959 173.578 174.900 -0.604 0.000 1.150 426 G CA -0.399 44.323 45.100 -0.630 0.000 0.923 426 G HN 0.435 nan 8.290 nan 0.000 0.485 427 I N 0.573 121.082 120.570 -0.103 0.000 2.468 427 I HA 0.234 4.405 4.170 0.001 0.000 0.285 427 I C -0.017 176.250 176.117 0.250 0.000 1.039 427 I CA -0.601 60.762 61.300 0.105 0.000 1.074 427 I CB 2.366 40.443 38.000 0.128 0.000 1.228 427 I HN 0.537 nan 8.210 nan 0.000 0.436 428 E N 7.786 128.206 120.200 0.367 0.000 2.257 428 E HA 0.321 4.672 4.350 0.001 0.000 0.278 428 E C -1.076 175.640 176.600 0.193 0.000 1.049 428 E CA -0.292 56.297 56.400 0.314 0.000 0.876 428 E CB 0.752 30.671 29.700 0.365 0.000 1.035 428 E HN 0.548 nan 8.360 nan 0.000 0.419 429 M N 5.029 124.654 119.600 0.041 0.000 2.027 429 M HA 0.237 4.718 4.480 0.001 0.000 0.329 429 M C -0.959 175.083 176.300 -0.430 0.000 0.971 429 M CA -0.813 54.441 55.300 -0.077 0.000 0.933 429 M CB 1.711 34.290 32.600 -0.035 0.000 1.392 429 M HN 0.201 nan 8.290 nan 0.000 0.394 430 V N 3.675 123.178 119.914 -0.684 0.000 2.488 430 V HA 0.097 4.218 4.120 0.001 0.000 0.277 430 V C 0.450 176.021 176.094 -0.873 0.000 1.046 430 V CA -0.461 61.184 62.300 -1.091 0.000 0.986 430 V CB 0.359 30.894 31.823 -2.148 0.000 0.989 430 V HN 0.615 nan 8.190 nan 0.000 0.475 431 H N 3.471 122.234 119.070 -0.512 0.000 3.157 431 H HA 0.191 4.748 4.556 0.001 0.000 0.260 431 H C -0.449 174.505 175.328 -0.622 0.000 1.232 431 H CA -0.312 55.446 56.048 -0.483 0.000 1.488 431 H CB 0.285 29.758 29.762 -0.481 0.000 1.548 431 H HN 0.571 nan 8.280 nan 0.000 0.487 432 D N 2.005 122.219 120.400 -0.310 0.000 2.349 432 D HA 0.259 4.900 4.640 0.001 0.000 0.232 432 D C 0.821 177.060 176.300 -0.102 0.000 1.071 432 D CA -0.655 53.278 54.000 -0.111 0.000 0.832 432 D CB 1.059 41.950 40.800 0.153 0.000 1.086 432 D HN 0.690 nan 8.370 nan 0.000 0.504 433 G N 1.948 110.652 108.800 -0.160 0.000 4.110 433 G HA2 0.547 4.508 3.960 0.001 0.000 0.292 433 G HA3 0.547 4.508 3.960 0.001 0.000 0.292 433 G C 0.586 175.424 174.900 -0.104 0.000 1.020 433 G CA 0.113 45.118 45.100 -0.158 0.000 0.808 433 G HN 0.890 nan 8.290 nan 0.000 0.474 434 G N 0.947 109.715 108.800 -0.054 0.000 2.631 434 G HA2 -0.121 3.840 3.960 0.001 0.000 0.504 434 G HA3 -0.121 3.840 3.960 0.001 0.000 0.504 434 G C 0.676 175.531 174.900 -0.076 0.000 1.306 434 G CA 0.002 45.072 45.100 -0.050 0.000 0.897 434 G HN 0.733 nan 8.290 nan 0.000 0.520 435 K N -0.458 119.904 120.400 -0.064 0.000 2.432 435 K HA 0.182 4.503 4.320 0.001 0.000 0.196 435 K C 1.149 177.742 176.600 -0.011 0.000 1.038 435 K CA 1.528 57.782 56.287 -0.055 0.000 0.986 435 K CB 0.261 32.732 32.500 -0.048 0.000 0.782 435 K HN 0.342 nan 8.250 nan 0.000 0.485 436 E N 1.173 121.369 120.200 -0.007 0.000 2.476 436 E HA 0.035 4.386 4.350 0.001 0.000 0.191 436 E C 0.098 176.733 176.600 0.059 0.000 1.064 436 E CA 0.324 56.739 56.400 0.026 0.000 0.866 436 E CB 0.672 30.381 29.700 0.015 0.000 0.952 436 E HN 0.297 nan 8.360 nan 0.000 0.492 437 T N -0.617 113.950 114.554 0.022 0.000 2.696 437 T HA 0.338 4.689 4.350 0.001 0.000 0.291 437 T C -1.090 173.577 174.700 -0.055 0.000 1.095 437 T CA -0.992 61.120 62.100 0.021 0.000 1.026 437 T CB 0.713 69.480 68.868 -0.168 0.000 1.390 437 T HN 0.196 nan 8.240 nan 0.000 0.513 438 W N 1.886 122.953 121.300 -0.389 0.000 2.123 438 W HA 0.385 5.046 4.660 0.001 0.000 0.351 438 W C -0.510 175.890 176.519 -0.197 0.000 1.292 438 W CA -0.343 56.709 57.345 -0.488 0.000 1.263 438 W CB -0.326 28.503 29.460 -1.051 0.000 1.165 438 W HN 0.648 nan 8.180 nan 0.000 0.590 439 H N 1.588 120.656 119.070 -0.003 0.000 3.078 439 H HA 0.329 4.885 4.556 0.001 0.000 0.319 439 H C -1.256 174.101 175.328 0.048 0.000 0.995 439 H CA 0.021 56.004 56.048 -0.109 0.000 1.417 439 H CB 1.828 31.513 29.762 -0.127 0.000 1.598 439 H HN 0.527 nan 8.280 nan 0.000 0.515 440 S N 2.887 118.482 115.700 -0.175 0.000 2.880 440 S HA 0.901 5.372 4.470 0.001 0.000 0.308 440 S C -1.605 172.916 174.600 -0.132 0.000 1.195 440 S CA 0.052 58.230 58.200 -0.037 0.000 0.866 440 S CB 1.769 64.991 63.200 0.037 0.000 1.254 440 S HN 0.812 nan 8.310 nan 0.000 0.571 441 A N 0.128 122.992 122.820 0.074 0.000 2.574 441 A HA 0.874 5.195 4.320 0.001 0.000 0.297 441 A C -0.611 177.076 177.584 0.173 0.000 1.062 441 A CA -0.093 51.895 52.037 -0.082 0.000 0.686 441 A CB 1.013 19.935 19.000 -0.129 0.000 1.285 441 A HN 1.362 nan 8.150 nan 0.000 0.403 442 A N 0.309 123.161 122.820 0.054 0.000 2.256 442 A HA 0.891 5.212 4.320 0.001 0.000 0.318 442 A C -0.013 177.668 177.584 0.162 0.000 1.103 442 A CA -0.375 51.773 52.037 0.184 0.000 0.860 442 A CB 0.731 19.831 19.000 0.167 0.000 1.182 442 A HN 1.045 nan 8.150 nan 0.000 0.501 443 T N 1.027 115.698 114.554 0.195 0.000 2.890 443 T HA 0.606 4.957 4.350 0.001 0.000 0.295 443 T C -0.358 174.429 174.700 0.145 0.000 0.993 443 T CA 0.086 62.317 62.100 0.219 0.000 0.979 443 T CB 1.233 70.259 68.868 0.262 0.000 0.967 443 T HN 1.098 nan 8.240 nan 0.000 0.441 444 A N 3.576 126.496 122.820 0.168 0.000 2.305 444 A HA 0.845 5.165 4.320 0.001 0.000 0.322 444 A C -0.547 177.156 177.584 0.198 0.000 1.187 444 A CA -0.590 51.548 52.037 0.170 0.000 0.825 444 A CB 0.174 19.314 19.000 0.232 0.000 1.164 444 A HN 0.766 nan 8.150 nan 0.000 0.498 445 I N 1.735 122.390 120.570 0.143 0.000 2.406 445 I HA 0.405 4.575 4.170 0.001 0.000 0.290 445 I C -1.041 175.106 176.117 0.050 0.000 0.999 445 I CA 0.022 61.430 61.300 0.180 0.000 1.124 445 I CB 1.415 39.531 38.000 0.194 0.000 1.289 445 I HN 0.611 nan 8.210 nan 0.000 0.441 446 Y N 4.168 124.515 120.300 0.079 0.000 2.409 446 Y HA 0.678 5.229 4.550 0.001 0.000 0.343 446 Y C -0.325 175.515 175.900 -0.100 0.000 0.973 446 Y CA -0.432 57.709 58.100 0.068 0.000 1.064 446 Y CB 2.046 40.624 38.460 0.196 0.000 1.207 446 Y HN 0.482 nan 8.280 nan 0.000 0.452 447 c N 3.109 121.555 118.600 -0.257 0.000 2.797 447 c HA 0.403 4.974 4.570 0.001 0.000 0.306 447 c C -0.544 172.876 174.090 -1.117 0.000 1.207 447 c CA -1.248 54.614 56.329 -0.779 0.000 1.507 447 c CB 1.640 43.878 42.510 -0.453 0.000 2.028 447 c HN 0.784 nan 8.230 nan 0.000 0.475 448 L N 4.316 124.538 121.223 -1.668 0.000 2.615 448 L HA 0.381 4.721 4.340 0.001 0.000 0.271 448 L C -0.043 176.557 176.870 -0.449 0.000 1.183 448 L CA 1.357 55.589 54.840 -1.013 0.000 0.933 448 L CB -0.114 41.472 42.059 -0.787 0.000 1.199 448 L HN 0.781 nan 8.230 nan 0.000 0.487 449 M N 4.738 124.185 119.600 -0.256 0.000 2.265 449 M HA 0.682 5.163 4.480 0.001 0.000 0.262 449 M C 0.102 176.368 176.300 -0.056 0.000 1.026 449 M CA -0.141 55.075 55.300 -0.139 0.000 0.987 449 M CB 1.255 33.774 32.600 -0.136 0.000 1.937 449 M HN 0.772 nan 8.290 nan 0.000 0.481 450 G N 2.786 111.568 108.800 -0.030 0.000 2.645 450 G HA2 -0.127 3.834 3.960 0.001 0.000 0.239 450 G HA3 -0.127 3.834 3.960 0.001 0.000 0.239 450 G C -0.510 174.411 174.900 0.034 0.000 1.331 450 G CA -0.042 45.058 45.100 0.001 0.000 0.890 450 G HN 1.687 nan 8.290 nan 0.000 0.572 451 S N -1.005 114.719 115.700 0.040 0.000 2.726 451 S HA 1.023 5.494 4.470 0.001 0.000 0.308 451 S C 0.994 175.634 174.600 0.066 0.000 1.115 451 S CA 0.666 58.903 58.200 0.062 0.000 0.965 451 S CB 1.642 64.870 63.200 0.046 0.000 1.145 451 S HN 3.023 nan 8.310 nan 0.000 0.532 452 G N 0.259 109.106 108.800 0.078 0.000 2.513 452 G HA2 0.078 4.039 3.960 0.001 0.000 0.227 452 G HA3 0.078 4.039 3.960 0.001 0.000 0.227 452 G C -1.339 173.623 174.900 0.103 0.000 1.176 452 G CA 0.014 45.158 45.100 0.074 0.000 0.967 452 G HN 1.346 nan 8.290 nan 0.000 0.587 453 Q N -0.237 119.619 119.800 0.094 0.000 2.423 453 Q HA 0.691 5.032 4.340 0.001 0.000 0.278 453 Q C -0.213 175.862 176.000 0.124 0.000 1.097 453 Q CA -1.078 54.794 55.803 0.115 0.000 0.809 453 Q CB 2.334 31.125 28.738 0.088 0.000 1.391 453 Q HN 1.328 nan 8.270 nan 0.000 0.428 454 L N 2.043 123.360 121.223 0.156 0.000 2.578 454 L HA -0.136 4.205 4.340 0.001 0.000 0.279 454 L C -0.088 176.885 176.870 0.171 0.000 1.227 454 L CA 0.032 54.984 54.840 0.187 0.000 0.900 454 L CB 0.308 42.484 42.059 0.194 0.000 1.144 454 L HN 0.617 nan 8.230 nan 0.000 0.496 455 L N 5.163 126.506 121.223 0.200 0.000 2.467 455 L HA 0.264 4.605 4.340 0.001 0.000 0.213 455 L C -0.163 176.904 176.870 0.329 0.000 1.053 455 L CA 0.730 55.672 54.840 0.170 0.000 0.847 455 L CB -0.355 41.737 42.059 0.055 0.000 1.075 455 L HN 0.594 nan 8.230 nan 0.000 0.479 456 W N 1.081 122.465 121.300 0.140 0.000 3.032 456 W HA 0.344 5.005 4.660 0.001 0.000 0.335 456 W C -0.454 176.197 176.519 0.219 0.000 1.154 456 W CA -1.660 55.765 57.345 0.133 0.000 1.204 456 W CB 1.172 30.683 29.460 0.086 0.000 1.416 456 W HN 0.043 nan 8.180 nan 0.000 0.521 457 D N 0.632 121.134 120.400 0.170 0.000 2.388 457 D HA 0.462 5.103 4.640 0.001 0.000 0.254 457 D C -0.717 175.599 176.300 0.026 0.000 1.111 457 D CA -0.213 53.855 54.000 0.114 0.000 0.993 457 D CB 1.493 42.299 40.800 0.009 0.000 1.118 457 D HN 0.092 nan 8.370 nan 0.000 0.502 458 T N -0.080 114.539 114.554 0.109 0.000 2.797 458 T HA 0.481 4.832 4.350 0.001 0.000 0.279 458 T C 0.015 174.715 174.700 -0.000 0.000 0.991 458 T CA -0.766 61.368 62.100 0.057 0.000 0.979 458 T CB 1.337 70.318 68.868 0.188 0.000 0.943 458 T HN 0.472 nan 8.240 nan 0.000 0.444 459 V N 0.776 120.661 119.914 -0.049 0.000 2.815 459 V HA 0.667 4.788 4.120 0.001 0.000 0.314 459 V C 1.280 177.380 176.094 0.009 0.000 1.064 459 V CA -0.430 61.855 62.300 -0.026 0.000 0.952 459 V CB 1.306 33.091 31.823 -0.063 0.000 1.020 459 V HN 0.941 nan 8.190 nan 0.000 0.439 460 T N -0.735 113.846 114.554 0.045 0.000 2.904 460 T HA 0.177 4.527 4.350 0.001 0.000 0.267 460 T C 1.697 176.433 174.700 0.060 0.000 1.059 460 T CA 1.588 63.745 62.100 0.096 0.000 1.137 460 T CB -0.592 68.409 68.868 0.220 0.000 0.879 460 T HN 2.595 nan 8.240 nan 0.000 0.467 461 G N 0.530 109.348 108.800 0.031 0.000 2.155 461 G HA2 -0.213 3.748 3.960 0.001 0.000 0.257 461 G HA3 -0.213 3.748 3.960 0.001 0.000 0.257 461 G C 0.079 174.979 174.900 0.000 0.000 0.983 461 G CA 0.150 45.249 45.100 -0.002 0.000 0.676 461 G HN 0.795 nan 8.290 nan 0.000 0.528 462 V N 1.140 121.082 119.914 0.047 0.000 2.407 462 V HA 0.509 4.630 4.120 0.001 0.000 0.278 462 V C -0.084 176.033 176.094 0.038 0.000 1.037 462 V CA -0.591 61.721 62.300 0.020 0.000 0.900 462 V CB 1.837 33.640 31.823 -0.035 0.000 0.983 462 V HN 0.335 nan 8.190 nan 0.000 0.459 463 D N 4.611 125.027 120.400 0.026 0.000 2.373 463 D HA 0.316 4.957 4.640 0.001 0.000 0.227 463 D C 0.689 177.031 176.300 0.070 0.000 1.091 463 D CA -0.337 53.684 54.000 0.034 0.000 0.840 463 D CB 1.599 42.414 40.800 0.023 0.000 1.060 463 D HN 0.470 nan 8.370 nan 0.000 0.502 464 M N 2.526 122.152 119.600 0.043 0.000 2.557 464 M HA -0.000 4.480 4.480 0.001 0.000 0.259 464 M C 1.701 178.058 176.300 0.095 0.000 1.086 464 M CA 0.316 55.649 55.300 0.054 0.000 1.096 464 M CB 0.256 32.715 32.600 -0.234 0.000 1.424 464 M HN 0.481 nan 8.290 nan 0.000 0.488 465 A N 0.406 123.264 122.820 0.064 0.000 2.119 465 A HA 0.124 4.444 4.320 0.001 0.000 0.217 465 A C 1.194 178.839 177.584 0.102 0.000 1.153 465 A CA 0.477 52.557 52.037 0.072 0.000 0.692 465 A CB -0.233 18.791 19.000 0.041 0.000 0.799 465 A HN 0.350 nan 8.150 nan 0.000 0.458 466 L N 0.000 121.288 121.223 0.109 0.000 2.949 466 L HA 0.000 4.341 4.340 0.001 0.000 0.249 466 L CA 0.000 54.891 54.840 0.086 0.000 0.813 466 L CB 0.000 42.091 42.059 0.053 0.000 0.961 466 L HN 0.000 nan 8.230 nan 0.000 0.502