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 2hb0_1_A DATA FIRST_RESID 23 DATA SEQUENCE ADKNPGSENM TNTIGPHDRG GSSPIYNILN SYLTAYNGSH HLYDRMSFLc DATA SEQUENCE LSSQNTLNGA cPSSDAPGTA TIDGETNITL QFTEKRSLIK RELQIKGYKQ DATA SEQUENCE FLFKNANcPS KLALNSSHFQ cNREQASGAT LSLYIPAGEL NKLPFGGVWN DATA SEQUENCE AVLKLNVKRR YDTTYGTYTI NITVNLTDKG NIQIWLPQFK SNARVDLNLR DATA SEQUENCE PTGGGTYIGR NSVDMcFYDG YSTNSSSLEI RFQDDNSKSD GKFYLKKIND DATA SEQUENCE DSKELVYTLS LLLAGKNLTP TNGQALNINT ASLETNWNRI TAVTMPEISV DATA SEQUENCE PVLcWPGRLQ LDAKVKNPEA GQYMGNIKIT FTPSSQTLDN KQVEKNITVT DATA SEQUENCE ASVDPV 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 23 A HA 0.000 nan 4.320 nan 0.000 0.244 23 A C 0.000 177.571 177.584 -0.022 0.000 1.274 23 A CA 0.000 51.986 52.037 -0.084 0.000 0.836 23 A CB 0.000 18.964 19.000 -0.060 0.000 0.831 24 D N 1.107 121.543 120.400 0.060 0.000 2.399 24 D HA 0.460 5.100 4.640 -0.000 0.000 0.241 24 D C -0.022 176.315 176.300 0.061 0.000 1.133 24 D CA 0.828 54.904 54.000 0.127 0.000 0.890 24 D CB 0.816 41.666 40.800 0.084 0.000 1.201 24 D HN 0.555 nan 8.370 nan 0.000 0.432 25 K N 1.576 122.016 120.400 0.066 0.000 2.535 25 K HA 0.248 4.567 4.320 -0.000 0.000 0.251 25 K C -1.470 175.073 176.600 -0.094 0.000 0.942 25 K CA -0.742 55.531 56.287 -0.023 0.000 0.798 25 K CB 1.024 33.480 32.500 -0.073 0.000 1.267 25 K HN 0.173 nan 8.250 nan 0.000 0.434 26 N N 4.571 123.215 118.700 -0.094 0.000 2.426 26 N HA 0.367 5.107 4.740 -0.000 0.000 0.275 26 N C -2.525 172.816 175.510 -0.281 0.000 1.019 26 N CA -1.505 51.437 53.050 -0.181 0.000 0.941 26 N CB 1.238 39.709 38.487 -0.026 0.000 1.123 26 N HN 0.434 nan 8.380 nan 0.000 0.486 27 P HA 0.388 nan 4.420 nan 0.000 0.272 27 P C 0.141 177.352 177.300 -0.148 0.000 1.223 27 P CA -0.210 62.662 63.100 -0.379 0.000 0.784 27 P CB 0.800 32.073 31.700 -0.710 0.000 0.923 28 G N -0.445 108.389 108.800 0.058 0.000 2.342 28 G HA2 0.333 4.293 3.960 -0.000 0.000 0.297 28 G HA3 0.333 4.293 3.960 -0.000 0.000 0.297 28 G C -1.221 173.811 174.900 0.220 0.000 1.313 28 G CA -0.574 44.602 45.100 0.127 0.000 0.830 28 G HN 0.381 nan 8.290 nan 0.000 0.506 29 S N 0.110 115.918 115.700 0.180 0.000 2.572 29 S HA 0.493 4.963 4.470 -0.000 0.000 0.279 29 S C -0.137 174.597 174.600 0.224 0.000 1.341 29 S CA 0.109 58.438 58.200 0.215 0.000 1.043 29 S CB 0.806 64.085 63.200 0.132 0.000 0.887 29 S HN 0.486 nan 8.310 nan 0.000 0.516 30 E N 1.204 121.557 120.200 0.256 0.000 2.390 30 E HA 0.326 4.676 4.350 -0.000 0.000 0.277 30 E C -1.209 175.410 176.600 0.032 0.000 0.939 30 E CA -0.834 55.617 56.400 0.084 0.000 0.769 30 E CB 1.574 31.226 29.700 -0.080 0.000 1.251 30 E HN 0.434 nan 8.360 nan 0.000 0.450 31 N N 1.923 120.609 118.700 -0.023 0.000 2.399 31 N HA 0.466 5.205 4.740 -0.000 0.000 0.280 31 N C -1.262 174.200 175.510 -0.079 0.000 1.008 31 N CA -0.245 52.786 53.050 -0.032 0.000 0.894 31 N CB 1.490 39.972 38.487 -0.009 0.000 1.273 31 N HN 0.353 nan 8.380 nan 0.000 0.486 32 M N 0.447 119.987 119.600 -0.100 0.000 2.644 32 M HA 0.434 4.914 4.480 -0.000 0.000 0.304 32 M C -0.419 175.828 176.300 -0.088 0.000 1.215 32 M CA -0.517 54.706 55.300 -0.128 0.000 0.871 32 M CB 2.498 34.963 32.600 -0.225 0.000 1.740 32 M HN 0.118 nan 8.290 nan 0.000 0.464 33 T N 1.349 115.855 114.554 -0.080 0.000 2.886 33 T HA 0.513 4.862 4.350 -0.000 0.000 0.292 33 T C -1.166 173.505 174.700 -0.049 0.000 1.012 33 T CA -0.831 61.238 62.100 -0.051 0.000 0.982 33 T CB 1.068 69.915 68.868 -0.034 0.000 1.018 33 T HN 0.562 nan 8.240 nan 0.000 0.451 34 N N 1.562 120.242 118.700 -0.032 0.000 2.295 34 N HA 0.414 5.154 4.740 -0.000 0.000 0.293 34 N C -1.333 174.174 175.510 -0.005 0.000 1.040 34 N CA -0.455 52.582 53.050 -0.021 0.000 0.840 34 N CB 2.422 40.897 38.487 -0.019 0.000 1.468 34 N HN 0.426 nan 8.380 nan 0.000 0.478 35 T N 2.962 117.511 114.554 -0.008 0.000 2.791 35 T HA 0.451 4.801 4.350 -0.000 0.000 0.288 35 T C 0.196 174.871 174.700 -0.042 0.000 0.999 35 T CA -0.463 61.634 62.100 -0.005 0.000 0.952 35 T CB 0.751 69.625 68.868 0.009 0.000 0.938 35 T HN 0.254 nan 8.240 nan 0.000 0.444 36 I N 3.325 123.837 120.570 -0.096 0.000 2.359 36 I HA 0.656 4.826 4.170 -0.000 0.000 0.294 36 I C 1.072 177.066 176.117 -0.206 0.000 0.987 36 I CA 0.228 61.359 61.300 -0.281 0.000 1.225 36 I CB 0.560 38.272 38.000 -0.480 0.000 1.366 36 I HN 0.927 nan 8.210 nan 0.000 0.466 37 G N 7.944 116.646 108.800 -0.164 0.000 2.447 37 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.220 37 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.220 37 G C -2.979 171.953 174.900 0.053 0.000 1.261 37 G CA -1.052 44.051 45.100 0.005 0.000 1.000 37 G HN 0.452 nan 8.290 nan 0.000 0.515 38 P HA 0.504 nan 4.420 nan 0.000 0.271 38 P C -0.646 176.737 177.300 0.138 0.000 1.216 38 P CA 0.174 63.322 63.100 0.080 0.000 0.776 38 P CB 0.894 32.605 31.700 0.020 0.000 0.881 39 H N 0.237 119.344 119.070 0.061 0.000 2.529 39 H HA 0.423 4.979 4.556 -0.000 0.000 0.348 39 H C -1.160 174.211 175.328 0.071 0.000 1.079 39 H CA -0.773 55.330 56.048 0.091 0.000 1.198 39 H CB 1.021 30.870 29.762 0.145 0.000 1.521 39 H HN 0.282 nan 8.280 nan 0.000 0.514 40 D N 2.345 122.394 120.400 -0.586 0.000 2.225 40 D HA 0.181 4.821 4.640 -0.000 0.000 0.248 40 D C 0.742 176.748 176.300 -0.490 0.000 1.096 40 D CA -0.466 53.303 54.000 -0.385 0.000 0.863 40 D CB 1.015 41.679 40.800 -0.227 0.000 1.156 40 D HN 0.620 nan 8.370 nan 0.000 0.450 41 R N 2.429 122.837 120.500 -0.153 0.000 2.303 41 R HA -0.047 4.293 4.340 -0.000 0.000 0.225 41 R C 1.882 178.169 176.300 -0.021 0.000 1.114 41 R CA 0.869 56.954 56.100 -0.025 0.000 1.007 41 R CB -0.061 30.273 30.300 0.055 0.000 0.861 41 R HN 0.513 nan 8.270 nan 0.000 0.471 42 G N 0.512 109.276 108.800 -0.059 0.000 2.598 42 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.215 42 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.215 42 G C 0.507 175.398 174.900 -0.016 0.000 1.131 42 G CA 0.539 45.625 45.100 -0.024 0.000 0.785 42 G HN 0.389 nan 8.290 nan 0.000 0.539 43 G N -0.871 107.906 108.800 -0.039 0.000 2.498 43 G HA2 0.454 4.414 3.960 -0.000 0.000 0.312 43 G HA3 0.454 4.414 3.960 -0.000 0.000 0.312 43 G C -0.697 174.312 174.900 0.183 0.000 1.230 43 G CA -0.258 44.870 45.100 0.045 0.000 0.968 43 G HN 0.116 nan 8.290 nan 0.000 0.481 44 S N -0.469 115.318 115.700 0.146 0.000 2.548 44 S HA 0.435 4.905 4.470 -0.000 0.000 0.277 44 S C 0.968 175.631 174.600 0.104 0.000 1.315 44 S CA -0.248 58.018 58.200 0.111 0.000 1.050 44 S CB 0.278 63.499 63.200 0.036 0.000 0.918 44 S HN 1.166 nan 8.310 nan 0.000 0.497 45 S N 5.987 121.646 115.700 -0.068 0.000 2.545 45 S HA 0.533 5.003 4.470 -0.000 0.000 0.275 45 S C -2.383 172.036 174.600 -0.302 0.000 1.299 45 S CA -1.086 56.878 58.200 -0.393 0.000 1.048 45 S CB 0.949 63.866 63.200 -0.472 0.000 0.938 45 S HN 0.626 nan 8.310 nan 0.000 0.496 46 P HA 0.406 nan 4.420 nan 0.000 0.281 46 P C -0.182 176.765 177.300 -0.588 0.000 1.281 46 P CA -1.018 61.828 63.100 -0.424 0.000 0.811 46 P CB 0.587 32.044 31.700 -0.404 0.000 1.154 47 I N 0.392 120.740 120.570 -0.370 0.000 2.710 47 I HA -0.043 4.127 4.170 -0.000 0.000 0.286 47 I C 0.016 175.905 176.117 -0.381 0.000 1.181 47 I CA 0.509 61.665 61.300 -0.240 0.000 1.430 47 I CB -0.321 37.586 38.000 -0.155 0.000 1.367 47 I HN 0.261 nan 8.210 nan 0.000 0.577 48 Y N 5.161 125.493 120.300 0.053 0.000 2.328 48 Y HA 0.289 4.839 4.550 -0.000 0.000 0.333 48 Y C 0.228 176.183 175.900 0.091 0.000 0.958 48 Y CA -1.044 57.081 58.100 0.042 0.000 1.167 48 Y CB 0.901 39.371 38.460 0.017 0.000 1.151 48 Y HN 0.484 nan 8.280 nan 0.000 0.470 49 N N 4.406 123.229 118.700 0.206 0.000 2.470 49 N HA 0.198 4.938 4.740 -0.000 0.000 0.268 49 N C 0.545 176.130 175.510 0.125 0.000 1.136 49 N CA 0.337 53.479 53.050 0.154 0.000 0.961 49 N CB 1.426 39.958 38.487 0.076 0.000 1.067 49 N HN 0.752 nan 8.380 nan 0.000 0.468 50 I N 1.379 122.011 120.570 0.103 0.000 2.810 50 I HA 0.130 4.300 4.170 -0.000 0.000 0.262 50 I C 0.391 176.485 176.117 -0.037 0.000 1.131 50 I CA 0.711 62.030 61.300 0.031 0.000 1.453 50 I CB 0.363 38.379 38.000 0.026 0.000 1.161 50 I HN 0.208 nan 8.210 nan 0.000 0.444 51 L N 0.791 121.993 121.223 -0.036 0.000 2.464 51 L HA 0.393 4.732 4.340 -0.000 0.000 0.266 51 L C -1.237 175.619 176.870 -0.024 0.000 0.965 51 L CA -0.594 54.200 54.840 -0.075 0.000 0.833 51 L CB 2.216 44.190 42.059 -0.141 0.000 1.296 51 L HN 0.017 nan 8.230 nan 0.000 0.405 52 N N 1.013 119.722 118.700 0.016 0.000 2.524 52 N HA 0.264 5.004 4.740 -0.000 0.000 0.261 52 N C -0.348 175.196 175.510 0.057 0.000 0.998 52 N CA -0.185 52.881 53.050 0.027 0.000 0.915 52 N CB 1.331 39.840 38.487 0.036 0.000 1.187 52 N HN 0.509 nan 8.380 nan 0.000 0.507 53 S N 1.740 117.464 115.700 0.039 0.000 3.559 53 S HA -0.265 4.205 4.470 -0.000 0.000 0.369 53 S C -0.355 174.294 174.600 0.082 0.000 0.987 53 S CA 0.418 58.658 58.200 0.066 0.000 1.187 53 S CB -2.038 61.208 63.200 0.077 0.000 0.914 53 S HN 0.641 nan 8.310 nan 0.000 0.480 54 Y N 1.270 121.543 120.300 -0.046 0.000 2.465 54 Y HA 0.424 4.974 4.550 -0.000 0.000 0.331 54 Y C 0.249 176.144 175.900 -0.008 0.000 1.102 54 Y CA -0.970 57.104 58.100 -0.044 0.000 1.358 54 Y CB 0.343 38.754 38.460 -0.082 0.000 1.213 54 Y HN 0.345 nan 8.280 nan 0.000 0.525 55 L N 7.255 128.155 121.223 -0.538 0.000 2.433 55 L HA 0.125 4.465 4.340 -0.000 0.000 0.275 55 L C 1.141 177.771 176.870 -0.400 0.000 1.128 55 L CA 0.969 55.591 54.840 -0.362 0.000 0.875 55 L CB 0.405 42.273 42.059 -0.317 0.000 1.171 55 L HN 0.924 nan 8.230 nan 0.000 0.463 56 T N 1.542 116.061 114.554 -0.058 0.000 3.039 56 T HA 0.624 4.974 4.350 -0.000 0.000 0.250 56 T C 0.507 175.180 174.700 -0.046 0.000 1.052 56 T CA 0.302 62.474 62.100 0.120 0.000 1.125 56 T CB 0.145 69.269 68.868 0.428 0.000 0.908 56 T HN 0.812 nan 8.240 nan 0.000 0.473 57 A N -0.263 122.487 122.820 -0.117 0.000 2.594 57 A HA 0.669 4.989 4.320 -0.000 0.000 0.296 57 A C -2.077 175.462 177.584 -0.075 0.000 1.056 57 A CA -0.919 50.920 52.037 -0.330 0.000 0.693 57 A CB 0.976 19.527 19.000 -0.749 0.000 1.278 57 A HN 0.460 nan 8.150 nan 0.000 0.408 58 Y N 0.655 120.869 120.300 -0.144 0.000 2.521 58 Y HA 0.596 5.145 4.550 -0.000 0.000 0.326 58 Y C -1.135 174.797 175.900 0.053 0.000 1.176 58 Y CA -0.305 57.792 58.100 -0.005 0.000 1.079 58 Y CB 1.874 40.294 38.460 -0.067 0.000 1.341 58 Y HN 0.953 nan 8.280 nan 0.000 0.456 59 N N 1.952 120.324 118.700 -0.546 0.000 2.406 59 N HA 0.435 5.175 4.740 -0.000 0.000 0.283 59 N C 0.134 175.216 175.510 -0.713 0.000 1.074 59 N CA 0.105 52.848 53.050 -0.510 0.000 0.916 59 N CB 1.743 39.724 38.487 -0.843 0.000 1.639 59 N HN 0.833 nan 8.380 nan 0.000 0.485 60 G N 0.158 108.759 108.800 -0.332 0.000 2.623 60 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.214 60 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.214 60 G C 1.011 175.747 174.900 -0.274 0.000 1.138 60 G CA 0.986 45.957 45.100 -0.215 0.000 0.794 60 G HN 0.587 nan 8.290 nan 0.000 0.535 61 S N -0.069 115.430 115.700 -0.335 0.000 2.510 61 S HA 0.160 4.630 4.470 -0.000 0.000 0.230 61 S C 0.961 175.343 174.600 -0.363 0.000 1.066 61 S CA 0.366 58.407 58.200 -0.264 0.000 0.941 61 S CB -0.191 62.934 63.200 -0.125 0.000 0.829 61 S HN 0.650 nan 8.310 nan 0.000 0.530 62 H N -0.448 118.374 119.070 -0.413 0.000 2.585 62 H HA 0.623 5.179 4.556 -0.000 0.000 0.338 62 H C -0.173 174.732 175.328 -0.705 0.000 1.295 62 H CA -0.860 54.905 56.048 -0.472 0.000 1.356 62 H CB 0.245 29.815 29.762 -0.320 0.000 1.736 62 H HN 0.103 nan 8.280 nan 0.000 0.629 63 H N 0.459 119.502 119.070 -0.044 0.000 2.549 63 H HA 0.197 4.753 4.556 -0.000 0.000 0.253 63 H C 0.984 176.230 175.328 -0.137 0.000 1.170 63 H CA 0.011 55.972 56.048 -0.144 0.000 0.943 63 H CB 0.358 30.059 29.762 -0.102 0.000 1.849 63 H HN 0.555 nan 8.280 nan 0.000 0.603 64 L N -0.251 120.945 121.223 -0.045 0.000 2.362 64 L HA -0.112 4.227 4.340 -0.000 0.000 0.219 64 L C 0.592 177.380 176.870 -0.138 0.000 1.134 64 L CA 1.393 56.120 54.840 -0.189 0.000 0.807 64 L CB -0.197 41.625 42.059 -0.396 0.000 0.927 64 L HN 0.339 nan 8.230 nan 0.000 0.447 65 Y N -0.967 119.305 120.300 -0.047 0.000 2.756 65 Y HA 0.038 4.588 4.550 -0.000 0.000 0.300 65 Y C 1.243 176.960 175.900 -0.304 0.000 1.113 65 Y CA -0.868 57.132 58.100 -0.167 0.000 1.291 65 Y CB -0.073 38.258 38.460 -0.214 0.000 1.175 65 Y HN 0.208 nan 8.280 nan 0.000 0.534 66 D N 0.715 121.015 120.400 -0.166 0.000 2.340 66 D HA -0.072 4.568 4.640 -0.000 0.000 0.220 66 D C 0.699 176.725 176.300 -0.458 0.000 1.039 66 D CA 0.064 53.874 54.000 -0.316 0.000 0.866 66 D CB 0.071 40.786 40.800 -0.140 0.000 0.913 66 D HN 0.480 nan 8.370 nan 0.000 0.523 67 R N 0.018 120.293 120.500 -0.376 0.000 2.583 67 R HA 0.243 4.583 4.340 -0.000 0.000 0.282 67 R C -0.302 175.903 176.300 -0.159 0.000 1.288 67 R CA -0.723 55.209 56.100 -0.281 0.000 1.415 67 R CB -0.156 29.854 30.300 -0.483 0.000 1.331 67 R HN -0.144 nan 8.270 nan 0.000 0.719 68 M N 1.424 120.895 119.600 -0.214 0.000 2.248 68 M HA 0.206 4.686 4.480 -0.000 0.000 0.345 68 M C -0.139 176.073 176.300 -0.147 0.000 1.243 68 M CA 0.585 55.783 55.300 -0.170 0.000 1.090 68 M CB 0.921 33.445 32.600 -0.126 0.000 1.683 68 M HN 0.282 nan 8.290 nan 0.000 0.450 69 S N 2.523 117.952 115.700 -0.453 0.000 2.569 69 S HA 0.835 5.305 4.470 -0.000 0.000 0.280 69 S C -1.236 172.893 174.600 -0.784 0.000 1.111 69 S CA -0.620 57.356 58.200 -0.373 0.000 0.887 69 S CB 1.669 64.781 63.200 -0.146 0.000 1.095 69 S HN 0.439 nan 8.310 nan 0.000 0.476 70 F N 1.676 121.643 119.950 0.029 0.000 2.539 70 F HA 0.609 5.136 4.527 -0.000 0.000 0.318 70 F C -0.528 175.270 175.800 -0.004 0.000 1.135 70 F CA -0.712 57.283 58.000 -0.008 0.000 0.915 70 F CB 1.046 40.051 39.000 0.007 0.000 1.176 70 F HN 0.168 nan 8.300 nan 0.000 0.440 71 L N 2.567 123.851 121.223 0.102 0.000 2.365 71 L HA 0.588 4.928 4.340 -0.000 0.000 0.273 71 L C -0.487 176.418 176.870 0.058 0.000 1.000 71 L CA -0.820 54.058 54.840 0.064 0.000 0.819 71 L CB 1.919 43.987 42.059 0.016 0.000 1.284 71 L HN 0.640 nan 8.230 nan 0.000 0.418 72 c N 1.776 120.407 118.600 0.052 0.000 2.649 72 c HA 0.145 4.715 4.570 -0.000 0.000 0.377 72 c C 2.092 176.197 174.090 0.025 0.000 1.321 72 c CA -0.411 55.941 56.329 0.037 0.000 2.368 72 c CB 0.331 42.859 42.510 0.031 0.000 2.597 72 c HN 0.737 nan 8.230 nan 0.000 0.678 73 L N 1.271 122.505 121.223 0.019 0.000 2.492 73 L HA 0.111 4.451 4.340 -0.000 0.000 0.223 73 L C 0.957 177.834 176.870 0.012 0.000 1.132 73 L CA 0.936 55.784 54.840 0.013 0.000 0.850 73 L CB -0.594 41.472 42.059 0.011 0.000 0.966 73 L HN 0.729 nan 8.230 nan 0.000 0.454 74 S N -1.242 114.466 115.700 0.014 0.000 2.537 74 S HA 0.256 4.726 4.470 -0.000 0.000 0.270 74 S C 0.699 175.308 174.600 0.016 0.000 1.142 74 S CA -0.122 58.086 58.200 0.013 0.000 0.870 74 S CB 1.809 65.016 63.200 0.011 0.000 1.112 74 S HN 0.164 nan 8.310 nan 0.000 0.466 75 S N 2.865 118.575 115.700 0.016 0.000 2.470 75 S HA 0.088 4.558 4.470 -0.000 0.000 0.225 75 S C 0.928 175.538 174.600 0.016 0.000 1.006 75 S CA 0.349 58.560 58.200 0.018 0.000 0.934 75 S CB -0.110 63.101 63.200 0.019 0.000 0.778 75 S HN 0.659 nan 8.310 nan 0.000 0.517 76 Q N 0.361 120.170 119.800 0.015 0.000 2.313 76 Q HA 0.332 4.672 4.340 -0.000 0.000 0.263 76 Q C -0.271 175.737 176.000 0.014 0.000 0.820 76 Q CA 0.049 55.860 55.803 0.014 0.000 0.974 76 Q CB -0.441 28.305 28.738 0.013 0.000 1.156 76 Q HN 0.572 nan 8.270 nan 0.000 0.517 77 N N 2.055 120.763 118.700 0.013 0.000 2.431 77 N HA -0.004 4.736 4.740 -0.000 0.000 0.265 77 N C 0.878 176.395 175.510 0.012 0.000 1.184 77 N CA 0.489 53.546 53.050 0.012 0.000 0.943 77 N CB 0.954 39.447 38.487 0.011 0.000 1.080 77 N HN 0.090 nan 8.380 nan 0.000 0.477 78 T N 1.257 115.820 114.554 0.014 0.000 3.148 78 T HA -0.055 4.295 4.350 -0.000 0.000 0.253 78 T C 1.767 176.468 174.700 0.002 0.000 1.134 78 T CA -0.080 62.028 62.100 0.014 0.000 1.051 78 T CB -0.223 68.661 68.868 0.027 0.000 0.959 78 T HN 0.415 nan 8.240 nan 0.000 0.525 79 L N 2.072 123.296 121.223 0.001 0.000 2.010 79 L HA -0.132 4.208 4.340 -0.000 0.000 0.219 79 L C 1.272 178.123 176.870 -0.032 0.000 1.077 79 L CA 1.917 56.751 54.840 -0.010 0.000 0.773 79 L CB -0.498 41.559 42.059 -0.003 0.000 0.892 79 L HN 0.297 nan 8.230 nan 0.000 0.436 80 N N -0.281 118.404 118.700 -0.025 0.000 2.238 80 N HA 0.324 5.064 4.740 -0.000 0.000 0.235 80 N C -0.064 175.429 175.510 -0.028 0.000 1.209 80 N CA 0.742 53.771 53.050 -0.035 0.000 0.879 80 N CB 0.848 39.324 38.487 -0.018 0.000 1.136 80 N HN 0.434 nan 8.380 nan 0.000 0.517 81 G N 0.659 109.447 108.800 -0.021 0.000 3.367 81 G HA2 0.156 4.116 3.960 -0.000 0.000 0.686 81 G HA3 0.156 4.116 3.960 -0.000 0.000 0.686 81 G C -1.018 173.886 174.900 0.006 0.000 1.146 81 G CA -0.494 44.602 45.100 -0.007 0.000 0.913 81 G HN 0.319 nan 8.290 nan 0.000 0.554 82 A N 1.583 124.410 122.820 0.012 0.000 2.288 82 A HA 1.068 5.388 4.320 -0.000 0.000 0.320 82 A C 0.647 178.242 177.584 0.018 0.000 1.217 82 A CA 0.415 52.462 52.037 0.015 0.000 0.840 82 A CB 0.791 19.800 19.000 0.015 0.000 1.179 82 A HN 2.690 nan 8.150 nan 0.000 0.504 83 c N -0.287 118.327 118.600 0.022 0.000 3.216 83 c HA 0.677 5.247 4.570 -0.000 0.000 0.346 83 c C -3.326 170.783 174.090 0.031 0.000 1.384 83 c CA -1.540 54.805 56.329 0.027 0.000 1.208 83 c CB 0.619 43.147 42.510 0.030 0.000 1.483 83 c HN 0.608 nan 8.230 nan 0.000 0.453 84 P HA 0.110 nan 4.420 nan 0.000 0.260 84 P C 0.707 178.028 177.300 0.035 0.000 1.172 84 P CA 0.889 64.010 63.100 0.035 0.000 0.760 84 P CB 0.606 32.330 31.700 0.040 0.000 0.773 85 S N 0.592 116.309 115.700 0.029 0.000 2.540 85 S HA 0.222 4.692 4.470 -0.000 0.000 0.218 85 S C 0.431 175.044 174.600 0.021 0.000 0.977 85 S CA -0.177 58.038 58.200 0.024 0.000 0.918 85 S CB -0.257 62.955 63.200 0.020 0.000 0.806 85 S HN 0.466 nan 8.310 nan 0.000 0.496 86 S N 0.366 116.082 115.700 0.025 0.000 2.618 86 S HA 0.509 4.979 4.470 -0.000 0.000 0.277 86 S C -1.490 173.123 174.600 0.021 0.000 1.138 86 S CA -0.993 57.224 58.200 0.028 0.000 0.844 86 S CB 0.799 64.026 63.200 0.045 0.000 1.127 86 S HN 0.088 nan 8.310 nan 0.000 0.474 87 D N 1.635 122.038 120.400 0.005 0.000 2.525 87 D HA 0.311 4.951 4.640 -0.000 0.000 0.235 87 D C 0.534 176.825 176.300 -0.015 0.000 1.137 87 D CA 0.609 54.569 54.000 -0.066 0.000 0.868 87 D CB 0.638 41.289 40.800 -0.248 0.000 1.180 87 D HN 0.847 nan 8.370 nan 0.000 0.465 88 A N 4.846 127.653 122.820 -0.021 0.000 2.524 88 A HA 0.136 4.456 4.320 -0.000 0.000 0.250 88 A C -0.908 176.704 177.584 0.047 0.000 1.078 88 A CA -0.848 51.202 52.037 0.021 0.000 0.761 88 A CB 0.231 19.246 19.000 0.025 0.000 1.012 88 A HN 0.407 nan 8.150 nan 0.000 0.500 89 P HA -0.053 nan 4.420 nan 0.000 0.221 89 P C 0.932 178.315 177.300 0.138 0.000 1.150 89 P CA 1.293 64.487 63.100 0.158 0.000 0.800 89 P CB -0.057 31.711 31.700 0.115 0.000 0.787 90 G N 0.204 109.057 108.800 0.088 0.000 2.503 90 G HA2 0.251 4.211 3.960 -0.000 0.000 0.257 90 G HA3 0.251 4.211 3.960 -0.000 0.000 0.257 90 G C 1.117 176.065 174.900 0.079 0.000 1.214 90 G CA 0.224 45.368 45.100 0.074 0.000 0.839 90 G HN 0.177 nan 8.290 nan 0.000 0.559 91 T N -1.086 113.512 114.554 0.074 0.000 3.067 91 T HA 0.289 4.639 4.350 -0.000 0.000 0.261 91 T C 1.359 176.083 174.700 0.040 0.000 1.110 91 T CA 0.665 62.806 62.100 0.067 0.000 1.113 91 T CB -0.049 68.855 68.868 0.059 0.000 0.917 91 T HN 0.877 nan 8.240 nan 0.000 0.499 92 A N 2.347 125.185 122.820 0.030 0.000 2.520 92 A HA 0.432 4.752 4.320 -0.000 0.000 0.245 92 A C 0.663 178.254 177.584 0.013 0.000 1.072 92 A CA -0.280 51.764 52.037 0.012 0.000 0.761 92 A CB -0.363 18.641 19.000 0.005 0.000 1.004 92 A HN 0.438 nan 8.150 nan 0.000 0.499 93 T N 3.219 117.770 114.554 -0.005 0.000 2.888 93 T HA 0.286 4.636 4.350 -0.000 0.000 0.301 93 T C 0.264 174.946 174.700 -0.029 0.000 1.001 93 T CA 0.586 62.678 62.100 -0.013 0.000 1.147 93 T CB -0.056 68.758 68.868 -0.089 0.000 0.931 93 T HN 0.389 nan 8.240 nan 0.000 0.541 94 I N 3.976 124.541 120.570 -0.009 0.000 2.291 94 I HA 0.182 4.352 4.170 -0.000 0.000 0.290 94 I C 0.469 176.569 176.117 -0.027 0.000 1.050 94 I CA -0.654 60.640 61.300 -0.011 0.000 1.245 94 I CB 0.567 38.576 38.000 0.014 0.000 1.405 94 I HN 0.519 nan 8.210 nan 0.000 0.478 95 D N 5.457 125.825 120.400 -0.054 0.000 2.339 95 D HA 0.522 5.161 4.640 -0.000 0.000 0.245 95 D C 0.627 176.901 176.300 -0.044 0.000 1.115 95 D CA 0.562 54.520 54.000 -0.071 0.000 0.917 95 D CB 1.837 42.582 40.800 -0.093 0.000 1.192 95 D HN 0.793 nan 8.370 nan 0.000 0.428 96 G N 1.381 110.150 108.800 -0.052 0.000 2.384 96 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.204 96 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.204 96 G C -1.209 173.694 174.900 0.005 0.000 1.237 96 G CA -0.808 44.268 45.100 -0.041 0.000 1.060 96 G HN 0.493 nan 8.290 nan 0.000 0.514 97 E N -0.468 119.756 120.200 0.040 0.000 2.256 97 E HA 0.598 4.948 4.350 -0.000 0.000 0.267 97 E C -0.731 175.919 176.600 0.083 0.000 0.892 97 E CA -0.728 55.743 56.400 0.119 0.000 0.775 97 E CB 1.982 31.779 29.700 0.162 0.000 1.207 97 E HN 0.404 nan 8.360 nan 0.000 0.420 98 T N 2.343 116.953 114.554 0.093 0.000 2.856 98 T HA 0.197 4.547 4.350 -0.000 0.000 0.292 98 T C -0.099 174.612 174.700 0.017 0.000 0.980 98 T CA -0.666 61.468 62.100 0.055 0.000 1.091 98 T CB 0.245 69.154 68.868 0.068 0.000 0.936 98 T HN 0.265 nan 8.240 nan 0.000 0.503 99 N N 3.394 122.099 118.700 0.009 0.000 2.434 99 N HA 0.357 5.097 4.740 -0.000 0.000 0.272 99 N C -0.647 174.860 175.510 -0.005 0.000 1.040 99 N CA -0.197 52.846 53.050 -0.011 0.000 0.956 99 N CB 1.315 39.799 38.487 -0.006 0.000 1.108 99 N HN 0.509 nan 8.380 nan 0.000 0.481 100 I N 1.392 121.952 120.570 -0.016 0.000 2.389 100 I HA 0.165 4.335 4.170 -0.000 0.000 0.288 100 I C 0.055 176.177 176.117 0.007 0.000 0.999 100 I CA -0.537 60.762 61.300 -0.001 0.000 1.129 100 I CB 1.731 39.727 38.000 -0.005 0.000 1.288 100 I HN 0.171 nan 8.210 nan 0.000 0.444 101 T N 7.190 121.754 114.554 0.016 0.000 2.733 101 T HA 0.454 4.804 4.350 -0.000 0.000 0.294 101 T C -0.521 174.204 174.700 0.041 0.000 0.956 101 T CA -0.262 61.856 62.100 0.030 0.000 0.987 101 T CB 0.888 69.769 68.868 0.023 0.000 0.920 101 T HN 0.185 nan 8.240 nan 0.000 0.470 102 L N 3.959 125.230 121.223 0.080 0.000 2.333 102 L HA 0.460 4.799 4.340 -0.000 0.000 0.280 102 L C -0.103 176.838 176.870 0.118 0.000 1.004 102 L CA -0.582 54.295 54.840 0.062 0.000 0.820 102 L CB 1.849 43.938 42.059 0.050 0.000 1.247 102 L HN 0.610 nan 8.230 nan 0.000 0.416 103 Q N 3.285 123.101 119.800 0.027 0.000 2.296 103 Q HA 0.336 4.676 4.340 -0.000 0.000 0.262 103 Q C -1.628 174.378 176.000 0.011 0.000 0.981 103 Q CA -0.089 55.763 55.803 0.082 0.000 0.905 103 Q CB 0.564 29.329 28.738 0.045 0.000 1.186 103 Q HN 0.590 nan 8.270 nan 0.000 0.399 104 F N 1.636 121.648 119.950 0.104 0.000 2.469 104 F HA 0.381 4.908 4.527 -0.000 0.000 0.332 104 F C 0.057 176.036 175.800 0.297 0.000 1.103 104 F CA -0.468 57.647 58.000 0.191 0.000 0.979 104 F CB 2.359 41.489 39.000 0.217 0.000 1.137 104 F HN 0.344 nan 8.300 nan 0.000 0.463 105 T N 2.649 117.408 114.554 0.342 0.000 2.792 105 T HA 0.174 4.524 4.350 -0.000 0.000 0.280 105 T C -0.550 174.155 174.700 0.008 0.000 0.990 105 T CA -0.702 61.511 62.100 0.188 0.000 0.960 105 T CB 1.345 70.259 68.868 0.077 0.000 0.939 105 T HN 0.375 nan 8.240 nan 0.000 0.439 106 E N 2.734 122.721 120.200 -0.355 0.000 2.316 106 E HA 0.102 4.452 4.350 -0.000 0.000 0.275 106 E C 1.010 177.410 176.600 -0.332 0.000 1.029 106 E CA -0.121 55.824 56.400 -0.759 0.000 0.871 106 E CB 0.917 29.765 29.700 -1.420 0.000 1.022 106 E HN 0.627 nan 8.360 nan 0.000 0.418 107 K N 4.178 124.409 120.400 -0.281 0.000 2.034 107 K HA -0.205 4.115 4.320 -0.000 0.000 0.214 107 K C 1.627 178.139 176.600 -0.147 0.000 1.051 107 K CA 1.426 57.612 56.287 -0.168 0.000 0.931 107 K CB 0.199 32.604 32.500 -0.158 0.000 0.715 107 K HN 0.339 nan 8.250 nan 0.000 0.446 108 R N -0.360 120.026 120.500 -0.189 0.000 2.112 108 R HA 0.007 4.347 4.340 -0.000 0.000 0.216 108 R C 2.482 178.677 176.300 -0.174 0.000 1.080 108 R CA 1.397 57.388 56.100 -0.182 0.000 0.996 108 R CB -0.159 30.003 30.300 -0.230 0.000 0.902 108 R HN 0.355 nan 8.270 nan 0.000 0.449 109 S N 0.345 115.960 115.700 -0.142 0.000 2.478 109 S HA 0.055 4.525 4.470 -0.000 0.000 0.222 109 S C 1.321 176.014 174.600 0.155 0.000 1.008 109 S CA 0.174 58.380 58.200 0.009 0.000 0.928 109 S CB -0.067 63.185 63.200 0.086 0.000 0.781 109 S HN 0.367 nan 8.310 nan 0.000 0.518 110 L N 0.095 121.340 121.223 0.036 0.000 4.696 110 L HA -0.123 4.217 4.340 -0.000 0.000 0.425 110 L C -0.375 176.554 176.870 0.098 0.000 1.115 110 L CA -0.200 54.671 54.840 0.052 0.000 0.996 110 L CB -1.785 40.316 42.059 0.069 0.000 2.077 110 L HN 0.392 nan 8.230 nan 0.000 0.792 111 I N 1.397 122.052 120.570 0.141 0.000 2.634 111 I HA 0.081 4.250 4.170 -0.000 0.000 0.284 111 I C 0.918 177.178 176.117 0.239 0.000 1.124 111 I CA 0.545 61.980 61.300 0.224 0.000 1.417 111 I CB 0.984 39.252 38.000 0.447 0.000 1.396 111 I HN 0.119 nan 8.210 nan 0.000 0.571 112 K N 6.687 127.240 120.400 0.255 0.000 2.244 112 K HA 0.594 4.914 4.320 -0.000 0.000 0.260 112 K C -0.465 176.306 176.600 0.284 0.000 0.951 112 K CA -0.817 55.637 56.287 0.278 0.000 0.826 112 K CB 2.165 34.766 32.500 0.167 0.000 1.108 112 K HN 0.407 nan 8.250 nan 0.000 0.433 113 R N 1.609 122.295 120.500 0.309 0.000 2.836 113 R HA 0.359 4.699 4.340 -0.000 0.000 0.269 113 R C -0.907 175.466 176.300 0.122 0.000 1.010 113 R CA -0.871 55.300 56.100 0.119 0.000 0.930 113 R CB 1.906 32.146 30.300 -0.100 0.000 1.218 113 R HN 0.674 nan 8.270 nan 0.000 0.473 114 E N 1.409 121.638 120.200 0.049 0.000 2.183 114 E HA 0.540 4.890 4.350 -0.000 0.000 0.271 114 E C -0.580 176.029 176.600 0.014 0.000 0.919 114 E CA -0.530 55.921 56.400 0.084 0.000 0.781 114 E CB 2.007 31.741 29.700 0.057 0.000 1.140 114 E HN 0.217 nan 8.360 nan 0.000 0.402 115 L N 1.733 123.003 121.223 0.079 0.000 2.333 115 L HA 0.411 4.751 4.340 -0.000 0.000 0.263 115 L C -0.294 176.599 176.870 0.039 0.000 1.014 115 L CA -1.295 53.526 54.840 -0.032 0.000 0.820 115 L CB 1.719 43.643 42.059 -0.225 0.000 1.352 115 L HN 0.297 nan 8.230 nan 0.000 0.421 116 Q N 2.144 121.936 119.800 -0.014 0.000 2.235 116 Q HA 0.535 4.875 4.340 -0.000 0.000 0.250 116 Q C -0.829 175.156 176.000 -0.026 0.000 0.909 116 Q CA -0.424 55.370 55.803 -0.015 0.000 0.910 116 Q CB 2.488 31.203 28.738 -0.039 0.000 1.223 116 Q HN 0.292 nan 8.270 nan 0.000 0.432 117 I N 1.922 122.469 120.570 -0.038 0.000 2.509 117 I HA 0.362 4.532 4.170 -0.000 0.000 0.293 117 I C 0.138 176.141 176.117 -0.190 0.000 1.020 117 I CA -0.873 60.370 61.300 -0.096 0.000 1.088 117 I CB 1.594 39.577 38.000 -0.029 0.000 1.267 117 I HN 0.222 nan 8.210 nan 0.000 0.430 118 K N 3.504 123.655 120.400 -0.414 0.000 2.159 118 K HA 0.730 5.050 4.320 -0.000 0.000 0.266 118 K C -0.021 176.404 176.600 -0.293 0.000 0.975 118 K CA -0.411 55.616 56.287 -0.432 0.000 0.865 118 K CB 2.427 34.410 32.500 -0.861 0.000 1.087 118 K HN 0.910 nan 8.250 nan 0.000 0.446 119 G N 2.118 110.871 108.800 -0.078 0.000 2.620 119 G HA2 0.669 4.629 3.960 -0.000 0.000 0.301 119 G HA3 0.669 4.629 3.960 -0.000 0.000 0.301 119 G C -1.670 173.306 174.900 0.127 0.000 1.347 119 G CA -0.576 44.501 45.100 -0.038 0.000 0.971 119 G HN 0.536 nan 8.290 nan 0.000 0.488 120 Y N -0.925 119.392 120.300 0.029 0.000 2.656 120 Y HA 0.765 5.315 4.550 -0.000 0.000 0.334 120 Y C -0.784 175.148 175.900 0.053 0.000 1.179 120 Y CA -1.632 56.502 58.100 0.057 0.000 1.050 120 Y CB 1.374 39.882 38.460 0.079 0.000 1.308 120 Y HN 0.753 nan 8.280 nan 0.000 0.456 121 K N 1.170 121.760 120.400 0.317 0.000 2.340 121 K HA 0.781 5.101 4.320 -0.000 0.000 0.244 121 K C -1.516 175.302 176.600 0.364 0.000 0.973 121 K CA -1.027 55.435 56.287 0.291 0.000 0.828 121 K CB 2.866 35.629 32.500 0.438 0.000 1.226 121 K HN 0.864 nan 8.250 nan 0.000 0.437 122 Q N 1.202 121.227 119.800 0.375 0.000 2.359 122 Q HA 0.401 4.741 4.340 -0.000 0.000 0.274 122 Q C -1.334 174.972 176.000 0.510 0.000 1.074 122 Q CA -0.704 55.315 55.803 0.360 0.000 0.810 122 Q CB 2.491 31.427 28.738 0.329 0.000 1.342 122 Q HN 0.490 nan 8.270 nan 0.000 0.427 123 F N 1.695 121.773 119.950 0.212 0.000 2.399 123 F HA 0.503 5.030 4.527 -0.000 0.000 0.328 123 F C -0.006 175.717 175.800 -0.129 0.000 1.084 123 F CA -1.089 56.881 58.000 -0.049 0.000 1.053 123 F CB 1.116 39.931 39.000 -0.309 0.000 1.209 123 F HN 0.194 nan 8.300 nan 0.000 0.502 124 L N 2.842 123.984 121.223 -0.136 0.000 2.322 124 L HA 0.474 4.814 4.340 -0.000 0.000 0.281 124 L C -1.242 175.450 176.870 -0.297 0.000 1.014 124 L CA -0.606 54.219 54.840 -0.025 0.000 0.815 124 L CB 1.496 43.667 42.059 0.186 0.000 1.247 124 L HN 0.422 nan 8.230 nan 0.000 0.421 125 F N 1.133 121.192 119.950 0.183 0.000 2.551 125 F HA 0.424 4.951 4.527 -0.000 0.000 0.316 125 F C 1.074 176.962 175.800 0.147 0.000 1.089 125 F CA -0.907 57.172 58.000 0.131 0.000 0.915 125 F CB 1.828 40.887 39.000 0.099 0.000 1.186 125 F HN 0.326 nan 8.300 nan 0.000 0.456 126 K N 0.645 121.226 120.400 0.302 0.000 2.097 126 K HA -0.073 4.247 4.320 -0.000 0.000 0.206 126 K C 0.622 177.329 176.600 0.179 0.000 1.049 126 K CA 1.290 57.712 56.287 0.224 0.000 0.933 126 K CB 0.034 32.635 32.500 0.169 0.000 0.717 126 K HN 0.514 nan 8.250 nan 0.000 0.442 127 N N -0.930 117.874 118.700 0.173 0.000 2.171 127 N HA 0.143 4.883 4.740 -0.000 0.000 0.212 127 N C -0.402 175.163 175.510 0.091 0.000 1.184 127 N CA 0.142 53.260 53.050 0.113 0.000 0.888 127 N CB 1.579 40.117 38.487 0.084 0.000 1.038 127 N HN 0.031 nan 8.380 nan 0.000 0.517 128 A N 0.330 123.219 122.820 0.115 0.000 2.583 128 A HA 0.675 4.995 4.320 -0.000 0.000 0.289 128 A C -1.522 176.128 177.584 0.111 0.000 1.151 128 A CA -0.623 51.448 52.037 0.057 0.000 0.695 128 A CB 1.205 20.180 19.000 -0.043 0.000 1.290 128 A HN 0.062 nan 8.150 nan 0.000 0.419 129 N N -1.015 117.728 118.700 0.071 0.000 2.448 129 N HA 0.549 5.289 4.740 -0.000 0.000 0.279 129 N C -1.737 173.837 175.510 0.106 0.000 1.025 129 N CA -0.060 53.074 53.050 0.141 0.000 0.898 129 N CB 1.550 40.106 38.487 0.116 0.000 1.303 129 N HN 0.615 nan 8.380 nan 0.000 0.495 130 c N 4.776 123.503 118.600 0.212 0.000 2.814 130 c HA 0.399 4.969 4.570 -0.000 0.000 0.269 130 c C -1.643 172.679 174.090 0.387 0.000 1.090 130 c CA -0.845 55.630 56.329 0.243 0.000 1.492 130 c CB 0.934 43.628 42.510 0.306 0.000 1.825 130 c HN 0.648 nan 8.230 nan 0.000 0.442 131 P HA 0.066 nan 4.420 nan 0.000 0.256 131 P C 0.343 177.731 177.300 0.147 0.000 1.384 131 P CA 0.298 63.531 63.100 0.221 0.000 0.879 131 P CB 0.191 31.981 31.700 0.151 0.000 1.403 132 S N 1.061 116.821 115.700 0.100 0.000 2.561 132 S HA 0.009 4.479 4.470 -0.000 0.000 0.294 132 S C 0.567 175.170 174.600 0.006 0.000 1.294 132 S CA 0.291 58.483 58.200 -0.013 0.000 1.055 132 S CB 0.182 63.300 63.200 -0.135 0.000 0.819 132 S HN 0.171 nan 8.310 nan 0.000 0.503 133 K N 2.699 123.053 120.400 -0.077 0.000 2.276 133 K HA 0.392 4.712 4.320 -0.000 0.000 0.283 133 K C -0.562 176.018 176.600 -0.033 0.000 1.044 133 K CA -0.104 56.129 56.287 -0.090 0.000 0.944 133 K CB 0.501 32.730 32.500 -0.452 0.000 1.012 133 K HN 0.438 nan 8.250 nan 0.000 0.472 134 L N 1.977 123.240 121.223 0.068 0.000 2.342 134 L HA 0.479 4.819 4.340 -0.000 0.000 0.271 134 L C 0.191 177.137 176.870 0.126 0.000 1.008 134 L CA -1.258 53.608 54.840 0.042 0.000 0.818 134 L CB 1.843 43.886 42.059 -0.026 0.000 1.296 134 L HN 0.691 nan 8.230 nan 0.000 0.427 135 A N 2.102 124.978 122.820 0.093 0.000 2.520 135 A HA 0.199 4.519 4.320 -0.000 0.000 0.235 135 A C 1.247 178.929 177.584 0.162 0.000 1.065 135 A CA -0.190 51.918 52.037 0.118 0.000 0.764 135 A CB 0.187 19.234 19.000 0.078 0.000 1.002 135 A HN 0.877 nan 8.150 nan 0.000 0.502 136 L N 1.432 122.766 121.223 0.186 0.000 2.129 136 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 136 L C 2.249 179.265 176.870 0.243 0.000 1.087 136 L CA 1.938 56.943 54.840 0.274 0.000 0.757 136 L CB -0.491 41.709 42.059 0.236 0.000 0.896 136 L HN 0.914 nan 8.230 nan 0.000 0.434 137 N N -0.735 118.053 118.700 0.146 0.000 2.424 137 N HA -0.064 4.676 4.740 -0.000 0.000 0.178 137 N C 0.938 176.491 175.510 0.071 0.000 1.060 137 N CA -0.182 52.920 53.050 0.087 0.000 0.901 137 N CB 0.402 38.927 38.487 0.064 0.000 0.979 137 N HN 0.108 nan 8.380 nan 0.000 0.451 138 S N 0.599 116.358 115.700 0.099 0.000 2.558 138 S HA -0.014 4.456 4.470 -0.000 0.000 0.287 138 S C 0.438 175.110 174.600 0.121 0.000 1.321 138 S CA -0.470 57.783 58.200 0.089 0.000 1.048 138 S CB 0.528 63.773 63.200 0.076 0.000 0.844 138 S HN 0.367 nan 8.310 nan 0.000 0.512 139 S N 3.860 119.629 115.700 0.115 0.000 2.589 139 S HA 0.227 4.696 4.470 -0.000 0.000 0.265 139 S C 0.226 175.025 174.600 0.330 0.000 1.342 139 S CA -0.572 57.746 58.200 0.196 0.000 1.005 139 S CB 0.085 63.361 63.200 0.127 0.000 0.909 139 S HN 0.892 nan 8.310 nan 0.000 0.555 140 H N 0.038 119.261 119.070 0.255 0.000 2.534 140 H HA 0.678 5.234 4.556 -0.000 0.000 0.364 140 H C -0.234 175.350 175.328 0.427 0.000 1.328 140 H CA -1.067 55.251 56.048 0.451 0.000 1.415 140 H CB 0.055 30.039 29.762 0.369 0.000 1.573 140 H HN 0.810 nan 8.280 nan 0.000 0.601 141 F N -2.206 117.929 119.950 0.309 0.000 2.685 141 F HA 0.526 5.053 4.527 -0.000 0.000 0.315 141 F C -1.320 174.659 175.800 0.298 0.000 1.126 141 F CA -1.257 56.824 58.000 0.135 0.000 0.950 141 F CB 1.589 40.639 39.000 0.083 0.000 1.360 141 F HN 0.436 nan 8.300 nan 0.000 0.469 142 Q N 0.935 120.866 119.800 0.217 0.000 2.309 142 Q HA 0.470 4.810 4.340 -0.000 0.000 0.264 142 Q C -1.501 174.531 176.000 0.053 0.000 1.008 142 Q CA -1.002 54.864 55.803 0.104 0.000 0.853 142 Q CB 2.420 31.203 28.738 0.074 0.000 1.314 142 Q HN 0.880 nan 8.270 nan 0.000 0.448 143 c N 3.353 121.734 118.600 -0.365 0.000 2.246 143 c HA 0.246 4.816 4.570 -0.000 0.000 0.329 143 c C 0.217 174.158 174.090 -0.248 0.000 1.221 143 c CA -0.011 56.014 56.329 -0.507 0.000 1.697 143 c CB -1.760 39.903 42.510 -1.410 0.000 2.312 143 c HN 1.034 nan 8.230 nan 0.000 0.509 144 N N 3.664 122.300 118.700 -0.107 0.000 2.714 144 N HA -0.204 4.536 4.740 -0.000 0.000 0.252 144 N C 0.504 175.990 175.510 -0.041 0.000 1.014 144 N CA 1.088 54.102 53.050 -0.059 0.000 0.735 144 N CB -0.580 37.871 38.487 -0.060 0.000 0.924 144 N HN 0.915 nan 8.380 nan 0.000 0.540 145 R N -2.785 117.700 120.500 -0.024 0.000 3.963 145 R HA -0.250 4.090 4.340 -0.000 0.000 0.394 145 R C -0.230 176.063 176.300 -0.011 0.000 1.131 145 R CA 1.438 57.533 56.100 -0.008 0.000 1.059 145 R CB -1.513 28.785 30.300 -0.004 0.000 1.614 145 R HN 0.671 nan 8.270 nan 0.000 0.546 146 E N 1.380 121.568 120.200 -0.019 0.000 2.191 146 E HA 0.222 4.572 4.350 -0.000 0.000 0.274 146 E C -0.600 176.062 176.600 0.103 0.000 0.948 146 E CA -0.517 55.896 56.400 0.023 0.000 0.802 146 E CB 1.031 30.768 29.700 0.062 0.000 1.137 146 E HN 0.092 nan 8.360 nan 0.000 0.397 147 Q N 1.460 121.241 119.800 -0.032 0.000 2.288 147 Q HA 0.396 4.736 4.340 -0.000 0.000 0.254 147 Q C -0.353 175.657 176.000 0.017 0.000 0.932 147 Q CA -0.572 55.182 55.803 -0.081 0.000 0.902 147 Q CB 1.577 30.047 28.738 -0.446 0.000 1.203 147 Q HN 0.584 nan 8.270 nan 0.000 0.415 148 A N 1.826 124.585 122.820 -0.102 0.000 2.507 148 A HA 0.084 4.404 4.320 -0.000 0.000 0.235 148 A C 0.491 177.914 177.584 -0.269 0.000 1.070 148 A CA -0.017 51.680 52.037 -0.568 0.000 0.768 148 A CB 0.367 18.779 19.000 -0.979 0.000 1.011 148 A HN 0.816 nan 8.150 nan 0.000 0.502 149 S N -0.237 115.259 115.700 -0.341 0.000 2.512 149 S HA 0.463 4.933 4.470 -0.000 0.000 0.216 149 S C 0.728 175.021 174.600 -0.512 0.000 1.006 149 S CA 0.465 58.397 58.200 -0.447 0.000 0.915 149 S CB 0.289 63.084 63.200 -0.675 0.000 0.824 149 S HN 1.507 nan 8.310 nan 0.000 0.497 150 G N 0.282 108.892 108.800 -0.317 0.000 2.428 150 G HA2 0.658 4.618 3.960 -0.000 0.000 0.304 150 G HA3 0.658 4.618 3.960 -0.000 0.000 0.304 150 G C -2.155 172.682 174.900 -0.105 0.000 1.303 150 G CA 0.024 45.060 45.100 -0.106 0.000 0.825 150 G HN 0.434 nan 8.290 nan 0.000 0.484 151 A N -0.799 122.044 122.820 0.038 0.000 2.604 151 A HA 0.941 5.261 4.320 -0.000 0.000 0.295 151 A C -0.177 177.531 177.584 0.206 0.000 1.067 151 A CA 0.331 52.472 52.037 0.175 0.000 0.683 151 A CB 1.408 20.564 19.000 0.260 0.000 1.281 151 A HN 2.083 nan 8.150 nan 0.000 0.407 152 T N -0.869 113.820 114.554 0.225 0.000 2.940 152 T HA 0.720 5.070 4.350 -0.000 0.000 0.288 152 T C -0.704 174.059 174.700 0.104 0.000 1.033 152 T CA -0.631 61.552 62.100 0.139 0.000 1.033 152 T CB 1.344 70.275 68.868 0.106 0.000 1.079 152 T HN 1.420 nan 8.240 nan 0.000 0.496 153 L N 1.221 122.445 121.223 0.001 0.000 2.365 153 L HA 0.775 5.115 4.340 -0.000 0.000 0.273 153 L C -0.765 175.989 176.870 -0.194 0.000 1.000 153 L CA -0.226 54.491 54.840 -0.206 0.000 0.819 153 L CB 2.144 43.995 42.059 -0.346 0.000 1.284 153 L HN 0.882 nan 8.230 nan 0.000 0.418 154 S N 5.280 120.733 115.700 -0.413 0.000 2.521 154 S HA 0.835 5.305 4.470 -0.000 0.000 0.295 154 S C -1.074 173.301 174.600 -0.375 0.000 1.098 154 S CA -0.515 57.401 58.200 -0.472 0.000 0.999 154 S CB 1.389 63.997 63.200 -0.987 0.000 1.034 154 S HN 0.555 nan 8.310 nan 0.000 0.483 155 L N 3.852 124.988 121.223 -0.146 0.000 2.431 155 L HA 0.693 5.033 4.340 -0.000 0.000 0.266 155 L C -1.344 175.587 176.870 0.101 0.000 0.978 155 L CA -0.948 53.852 54.840 -0.067 0.000 0.822 155 L CB 1.728 43.741 42.059 -0.078 0.000 1.310 155 L HN 0.876 nan 8.230 nan 0.000 0.409 156 Y N 1.043 121.342 120.300 -0.002 0.000 2.609 156 Y HA 0.699 5.249 4.550 -0.000 0.000 0.336 156 Y C -1.380 174.556 175.900 0.059 0.000 1.129 156 Y CA -1.293 56.831 58.100 0.039 0.000 1.040 156 Y CB 1.216 39.703 38.460 0.046 0.000 1.310 156 Y HN 0.311 nan 8.280 nan 0.000 0.460 157 I N 3.959 124.657 120.570 0.215 0.000 2.315 157 I HA 0.380 4.550 4.170 -0.000 0.000 0.291 157 I C -2.374 173.875 176.117 0.220 0.000 1.006 157 I CA -2.183 59.189 61.300 0.120 0.000 1.265 157 I CB 1.446 39.550 38.000 0.174 0.000 1.387 157 I HN 0.380 nan 8.210 nan 0.000 0.475 158 P HA 0.043 nan 4.420 nan 0.000 0.270 158 P C -0.389 176.951 177.300 0.066 0.000 1.223 158 P CA -0.327 62.889 63.100 0.194 0.000 0.785 158 P CB 0.526 32.281 31.700 0.092 0.000 0.923 159 A N 1.686 124.524 122.820 0.030 0.000 2.498 159 A HA 0.417 4.737 4.320 -0.000 0.000 0.239 159 A C 1.552 179.107 177.584 -0.048 0.000 1.068 159 A CA 0.796 52.800 52.037 -0.054 0.000 0.766 159 A CB -1.476 17.488 19.000 -0.060 0.000 1.003 159 A HN 0.871 nan 8.150 nan 0.000 0.497 160 G N 0.997 109.751 108.800 -0.077 0.000 2.225 160 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.254 160 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.254 160 G C 0.814 175.671 174.900 -0.073 0.000 0.988 160 G CA 0.714 45.777 45.100 -0.062 0.000 0.625 160 G HN 0.703 nan 8.290 nan 0.000 0.527 161 E N 0.422 120.575 120.200 -0.079 0.000 2.085 161 E HA -0.052 4.298 4.350 -0.000 0.000 0.194 161 E C 2.776 179.273 176.600 -0.171 0.000 0.994 161 E CA 1.276 57.609 56.400 -0.111 0.000 0.801 161 E CB -0.328 29.307 29.700 -0.109 0.000 0.743 161 E HN 0.668 nan 8.360 nan 0.000 0.453 162 L N 1.351 122.471 121.223 -0.172 0.000 2.265 162 L HA -0.162 4.178 4.340 -0.000 0.000 0.215 162 L C 1.675 178.445 176.870 -0.166 0.000 1.117 162 L CA 0.615 55.323 54.840 -0.220 0.000 0.782 162 L CB -0.642 41.322 42.059 -0.160 0.000 0.914 162 L HN 0.043 nan 8.230 nan 0.000 0.441 163 N N 0.557 119.201 118.700 -0.094 0.000 2.348 163 N HA -0.204 4.536 4.740 -0.000 0.000 0.185 163 N C 1.693 177.145 175.510 -0.096 0.000 1.019 163 N CA 0.980 53.998 53.050 -0.052 0.000 0.880 163 N CB -0.265 38.207 38.487 -0.024 0.000 0.965 163 N HN 0.388 nan 8.380 nan 0.000 0.437 164 K N 0.784 121.094 120.400 -0.149 0.000 2.217 164 K HA 0.003 4.323 4.320 -0.000 0.000 0.202 164 K C 0.187 176.645 176.600 -0.237 0.000 1.051 164 K CA 0.131 56.319 56.287 -0.164 0.000 0.952 164 K CB -0.006 32.390 32.500 -0.173 0.000 0.736 164 K HN 0.145 nan 8.250 nan 0.000 0.453 165 L N 2.623 123.627 121.223 -0.366 0.000 2.490 165 L HA 0.014 4.354 4.340 -0.000 0.000 0.274 165 L C -1.462 175.218 176.870 -0.317 0.000 1.201 165 L CA -1.149 53.353 54.840 -0.563 0.000 0.869 165 L CB 0.386 41.884 42.059 -0.935 0.000 1.123 165 L HN 0.097 nan 8.230 nan 0.000 0.484 166 P HA -0.009 nan 4.420 nan 0.000 0.227 166 P C -0.528 176.868 177.300 0.160 0.000 1.161 166 P CA 0.863 63.944 63.100 -0.031 0.000 0.788 166 P CB 0.179 31.943 31.700 0.106 0.000 0.822 167 F N -3.944 116.178 119.950 0.287 0.000 2.741 167 F HA 0.695 5.222 4.527 -0.000 0.000 0.311 167 F C -0.042 176.009 175.800 0.420 0.000 1.149 167 F CA -1.883 56.301 58.000 0.306 0.000 0.930 167 F CB 0.082 39.251 39.000 0.281 0.000 1.312 167 F HN -0.186 nan 8.300 nan 0.000 0.450 168 G N -0.317 108.844 108.800 0.601 0.000 2.527 168 G HA2 0.562 4.522 3.960 -0.000 0.000 0.248 168 G HA3 0.562 4.522 3.960 -0.000 0.000 0.248 168 G C -0.143 175.067 174.900 0.518 0.000 1.231 168 G CA 0.093 45.507 45.100 0.523 0.000 0.838 168 G HN 1.712 nan 8.290 nan 0.000 0.570 169 G N -1.593 107.404 108.800 0.329 0.000 2.323 169 G HA2 0.415 4.375 3.960 -0.000 0.000 0.291 169 G HA3 0.415 4.375 3.960 -0.000 0.000 0.291 169 G C -1.682 173.057 174.900 -0.268 0.000 1.278 169 G CA -0.352 44.619 45.100 -0.214 0.000 0.860 169 G HN 1.078 nan 8.290 nan 0.000 0.504 170 V N 0.638 120.291 119.914 -0.434 0.000 2.311 170 V HA 0.463 4.583 4.120 -0.000 0.000 0.275 170 V C -1.014 174.983 176.094 -0.161 0.000 1.022 170 V CA -0.277 61.909 62.300 -0.189 0.000 0.830 170 V CB 0.580 32.283 31.823 -0.200 0.000 1.012 170 V HN 0.511 nan 8.190 nan 0.000 0.452 171 W N 4.109 125.435 121.300 0.042 0.000 2.335 171 W HA 0.511 5.170 4.660 -0.000 0.000 0.307 171 W C 0.402 177.071 176.519 0.251 0.000 1.117 171 W CA -0.380 57.044 57.345 0.131 0.000 1.228 171 W CB 0.743 30.247 29.460 0.073 0.000 1.240 171 W HN 0.391 nan 8.180 nan 0.000 0.468 172 N N 2.148 121.060 118.700 0.352 0.000 2.361 172 N HA 0.770 5.510 4.740 -0.000 0.000 0.302 172 N C -0.953 174.520 175.510 -0.062 0.000 1.074 172 N CA -0.464 52.683 53.050 0.162 0.000 0.850 172 N CB 2.117 40.632 38.487 0.048 0.000 1.228 172 N HN 0.454 nan 8.380 nan 0.000 0.491 173 A N 0.955 123.583 122.820 -0.320 0.000 2.556 173 A HA 0.670 4.990 4.320 -0.000 0.000 0.294 173 A C -1.201 176.199 177.584 -0.307 0.000 1.091 173 A CA -0.552 51.136 52.037 -0.580 0.000 0.704 173 A CB 1.365 19.462 19.000 -1.505 0.000 1.300 173 A HN 0.312 nan 8.150 nan 0.000 0.406 174 V N 2.232 122.008 119.914 -0.231 0.000 2.340 174 V HA 0.322 4.442 4.120 -0.000 0.000 0.277 174 V C -0.652 175.374 176.094 -0.113 0.000 1.017 174 V CA -0.318 61.903 62.300 -0.131 0.000 0.820 174 V CB 0.842 32.619 31.823 -0.077 0.000 1.028 174 V HN 0.798 nan 8.190 nan 0.000 0.436 175 L N 5.698 126.861 121.223 -0.100 0.000 2.331 175 L HA 0.490 4.830 4.340 -0.000 0.000 0.278 175 L C -0.025 176.841 176.870 -0.008 0.000 1.106 175 L CA 0.552 55.358 54.840 -0.057 0.000 0.824 175 L CB 0.529 42.560 42.059 -0.047 0.000 1.142 175 L HN 0.518 nan 8.230 nan 0.000 0.443 176 K N 6.221 126.626 120.400 0.009 0.000 2.345 176 K HA 0.655 4.975 4.320 -0.000 0.000 0.255 176 K C -1.541 175.092 176.600 0.055 0.000 0.934 176 K CA -0.546 55.765 56.287 0.040 0.000 0.801 176 K CB 1.751 34.267 32.500 0.026 0.000 1.137 176 K HN 0.560 nan 8.250 nan 0.000 0.424 177 L N 2.777 124.052 121.223 0.085 0.000 2.438 177 L HA 0.383 4.723 4.340 -0.000 0.000 0.270 177 L C -0.728 176.161 176.870 0.032 0.000 0.972 177 L CA -1.128 53.761 54.840 0.081 0.000 0.831 177 L CB 1.873 44.010 42.059 0.131 0.000 1.273 177 L HN 0.515 nan 8.230 nan 0.000 0.405 178 N N 1.763 120.470 118.700 0.011 0.000 2.514 178 N HA 0.318 5.058 4.740 -0.000 0.000 0.277 178 N C -0.643 174.805 175.510 -0.104 0.000 1.126 178 N CA -0.252 52.770 53.050 -0.046 0.000 0.978 178 N CB 2.106 40.569 38.487 -0.041 0.000 1.106 178 N HN 0.170 nan 8.380 nan 0.000 0.461 179 V N 2.368 122.170 119.914 -0.186 0.000 2.407 179 V HA 0.412 4.532 4.120 -0.000 0.000 0.278 179 V C 0.466 176.436 176.094 -0.207 0.000 1.037 179 V CA -0.410 61.718 62.300 -0.287 0.000 0.900 179 V CB 0.978 32.638 31.823 -0.273 0.000 0.983 179 V HN 0.510 nan 8.190 nan 0.000 0.459 180 K N 2.773 122.979 120.400 -0.323 0.000 2.509 180 K HA 0.578 4.897 4.320 -0.000 0.000 0.266 180 K C -0.912 175.543 176.600 -0.242 0.000 0.987 180 K CA -1.064 55.032 56.287 -0.320 0.000 0.868 180 K CB 2.712 35.045 32.500 -0.277 0.000 1.421 180 K HN 0.654 nan 8.250 nan 0.000 0.444 181 R N 2.511 122.829 120.500 -0.305 0.000 2.229 181 R HA 0.200 4.540 4.340 -0.000 0.000 0.332 181 R C -0.380 175.819 176.300 -0.169 0.000 0.989 181 R CA -0.520 55.500 56.100 -0.133 0.000 0.842 181 R CB 0.897 31.143 30.300 -0.091 0.000 1.119 181 R HN 0.585 nan 8.270 nan 0.000 0.456 182 R N 4.156 124.552 120.500 -0.174 0.000 2.500 182 R HA -0.216 4.124 4.340 -0.000 0.000 0.281 182 R C -0.564 175.677 176.300 -0.099 0.000 0.953 182 R CA 1.154 57.128 56.100 -0.210 0.000 1.108 182 R CB 0.038 30.179 30.300 -0.265 0.000 0.901 182 R HN 0.919 nan 8.270 nan 0.000 0.410 183 Y N 0.384 120.646 120.300 -0.062 0.000 4.079 183 Y HA -0.415 4.135 4.550 -0.000 0.000 0.223 183 Y C 0.296 176.152 175.900 -0.073 0.000 1.155 183 Y CA 0.826 58.896 58.100 -0.050 0.000 1.805 183 Y CB -0.813 37.635 38.460 -0.021 0.000 1.571 183 Y HN 0.802 nan 8.280 nan 0.000 0.654 184 D N -1.722 118.697 120.400 0.030 0.000 3.557 184 D HA 0.186 4.826 4.640 -0.000 0.000 0.331 184 D C -0.364 175.849 176.300 -0.145 0.000 1.442 184 D CA 0.231 54.202 54.000 -0.048 0.000 0.971 184 D CB 0.638 41.404 40.800 -0.057 0.000 1.423 184 D HN -0.164 nan 8.370 nan 0.000 0.604 185 T N 0.628 115.050 114.554 -0.220 0.000 2.933 185 T HA 0.236 4.586 4.350 -0.000 0.000 0.306 185 T C -0.005 174.361 174.700 -0.557 0.000 1.045 185 T CA 0.572 62.461 62.100 -0.351 0.000 1.143 185 T CB 0.105 68.744 68.868 -0.382 0.000 1.003 185 T HN 0.145 nan 8.240 nan 0.000 0.540 186 T N 3.534 117.853 114.554 -0.392 0.000 2.733 186 T HA 0.269 4.619 4.350 -0.000 0.000 0.294 186 T C 0.609 175.125 174.700 -0.307 0.000 0.956 186 T CA -0.442 61.452 62.100 -0.344 0.000 0.987 186 T CB 0.357 69.124 68.868 -0.169 0.000 0.920 186 T HN 0.579 nan 8.240 nan 0.000 0.470 187 Y N 2.379 122.635 120.300 -0.073 0.000 2.395 187 Y HA 0.348 4.898 4.550 -0.000 0.000 0.293 187 Y C 1.832 177.712 175.900 -0.033 0.000 1.123 187 Y CA 0.321 58.391 58.100 -0.049 0.000 1.227 187 Y CB 0.406 38.825 38.460 -0.069 0.000 1.012 187 Y HN 0.871 nan 8.280 nan 0.000 0.552 188 G N -1.109 107.736 108.800 0.076 0.000 2.345 188 G HA2 0.274 4.234 3.960 -0.000 0.000 0.285 188 G HA3 0.274 4.234 3.960 -0.000 0.000 0.285 188 G C -1.489 173.420 174.900 0.015 0.000 1.297 188 G CA -0.872 44.263 45.100 0.057 0.000 0.875 188 G HN -0.216 nan 8.290 nan 0.000 0.506 189 T N 0.637 115.228 114.554 0.061 0.000 2.848 189 T HA 0.585 4.935 4.350 -0.000 0.000 0.285 189 T C -1.421 173.408 174.700 0.215 0.000 0.995 189 T CA -0.277 61.864 62.100 0.069 0.000 0.970 189 T CB 1.228 70.134 68.868 0.063 0.000 0.976 189 T HN 0.359 nan 8.240 nan 0.000 0.441 190 Y N 2.012 122.359 120.300 0.079 0.000 2.350 190 Y HA 0.389 4.939 4.550 -0.000 0.000 0.340 190 Y C 1.030 176.940 175.900 0.017 0.000 1.006 190 Y CA -1.015 57.115 58.100 0.051 0.000 1.166 190 Y CB 0.716 39.209 38.460 0.055 0.000 1.168 190 Y HN 0.483 nan 8.280 nan 0.000 0.502 191 T N 6.130 120.773 114.554 0.148 0.000 2.772 191 T HA 0.545 4.895 4.350 -0.000 0.000 0.288 191 T C -0.013 174.692 174.700 0.008 0.000 0.994 191 T CA -0.441 61.695 62.100 0.061 0.000 0.951 191 T CB 0.021 68.913 68.868 0.040 0.000 0.933 191 T HN 0.320 nan 8.240 nan 0.000 0.447 192 I N 4.361 124.925 120.570 -0.010 0.000 2.382 192 I HA 0.313 4.483 4.170 -0.000 0.000 0.285 192 I C -0.051 176.033 176.117 -0.056 0.000 1.007 192 I CA -0.890 60.381 61.300 -0.049 0.000 1.142 192 I CB 1.030 38.997 38.000 -0.055 0.000 1.289 192 I HN 0.467 nan 8.210 nan 0.000 0.453 193 N N 8.229 126.897 118.700 -0.053 0.000 2.422 193 N HA 0.464 5.204 4.740 -0.000 0.000 0.264 193 N C -0.609 174.879 175.510 -0.038 0.000 1.063 193 N CA -0.132 52.888 53.050 -0.050 0.000 0.959 193 N CB 2.185 40.651 38.487 -0.035 0.000 1.087 193 N HN 0.478 nan 8.380 nan 0.000 0.483 194 I N 1.340 121.886 120.570 -0.040 0.000 2.406 194 I HA 0.217 4.387 4.170 -0.000 0.000 0.290 194 I C -0.016 176.159 176.117 0.096 0.000 0.999 194 I CA -0.439 60.878 61.300 0.029 0.000 1.124 194 I CB 1.881 39.925 38.000 0.073 0.000 1.289 194 I HN 0.185 nan 8.210 nan 0.000 0.441 195 T N 5.555 120.172 114.554 0.105 0.000 2.809 195 T HA 0.434 4.784 4.350 -0.000 0.000 0.284 195 T C -0.416 174.359 174.700 0.126 0.000 0.992 195 T CA -0.424 61.755 62.100 0.130 0.000 0.957 195 T CB 1.708 70.619 68.868 0.073 0.000 0.942 195 T HN 0.162 nan 8.240 nan 0.000 0.439 196 V N 5.014 125.044 119.914 0.193 0.000 2.347 196 V HA 0.363 4.483 4.120 -0.000 0.000 0.280 196 V C -0.120 176.088 176.094 0.190 0.000 1.021 196 V CA -1.070 61.295 62.300 0.110 0.000 0.847 196 V CB 1.135 32.978 31.823 0.033 0.000 0.990 196 V HN 0.741 nan 8.190 nan 0.000 0.444 197 N N 4.711 123.507 118.700 0.160 0.000 2.469 197 N HA 0.305 5.045 4.740 -0.000 0.000 0.239 197 N C -0.749 174.949 175.510 0.314 0.000 1.053 197 N CA -0.272 52.943 53.050 0.276 0.000 0.937 197 N CB 1.506 40.137 38.487 0.240 0.000 1.163 197 N HN 0.518 nan 8.380 nan 0.000 0.509 198 L N 2.912 124.394 121.223 0.432 0.000 2.283 198 L HA 0.318 4.658 4.340 -0.000 0.000 0.281 198 L C 0.600 177.718 176.870 0.415 0.000 1.033 198 L CA -0.398 54.660 54.840 0.363 0.000 0.848 198 L CB 0.471 42.739 42.059 0.348 0.000 1.226 198 L HN 0.440 nan 8.230 nan 0.000 0.429 199 T N -0.107 114.559 114.554 0.188 0.000 2.847 199 T HA 0.464 4.814 4.350 -0.000 0.000 0.279 199 T C -0.151 174.592 174.700 0.072 0.000 0.984 199 T CA -0.623 61.513 62.100 0.060 0.000 0.988 199 T CB 1.366 70.126 68.868 -0.180 0.000 1.040 199 T HN 0.501 nan 8.240 nan 0.000 0.528 200 D N -0.857 119.571 120.400 0.047 0.000 2.978 200 D HA 0.250 4.890 4.640 -0.000 0.000 0.268 200 D C 0.832 177.144 176.300 0.019 0.000 1.252 200 D CA -0.508 53.529 54.000 0.061 0.000 0.771 200 D CB 0.341 41.234 40.800 0.155 0.000 1.361 200 D HN 0.613 nan 8.370 nan 0.000 0.558 201 K N -0.221 120.164 120.400 -0.025 0.000 2.063 201 K HA -0.071 4.249 4.320 -0.000 0.000 0.208 201 K C 1.926 178.527 176.600 0.002 0.000 1.048 201 K CA 1.299 57.564 56.287 -0.037 0.000 0.928 201 K CB 0.073 32.537 32.500 -0.060 0.000 0.713 201 K HN 0.280 nan 8.250 nan 0.000 0.442 202 G N 1.116 109.929 108.800 0.022 0.000 2.535 202 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.218 202 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.218 202 G C 1.112 176.065 174.900 0.088 0.000 1.122 202 G CA 0.553 45.681 45.100 0.046 0.000 0.769 202 G HN 0.221 nan 8.290 nan 0.000 0.549 203 N N -0.062 118.705 118.700 0.112 0.000 2.203 203 N HA 0.181 4.921 4.740 -0.000 0.000 0.207 203 N C 0.320 175.971 175.510 0.234 0.000 1.130 203 N CA -0.224 52.944 53.050 0.196 0.000 0.861 203 N CB 0.745 39.390 38.487 0.262 0.000 1.005 203 N HN 0.253 nan 8.380 nan 0.000 0.507 204 I N 2.243 122.886 120.570 0.121 0.000 2.618 204 I HA -0.084 4.086 4.170 -0.000 0.000 0.284 204 I C 0.574 176.851 176.117 0.266 0.000 1.146 204 I CA 0.568 61.945 61.300 0.128 0.000 1.425 204 I CB 0.332 38.336 38.000 0.006 0.000 1.383 204 I HN 0.144 nan 8.210 nan 0.000 0.562 205 Q N 5.807 125.870 119.800 0.439 0.000 2.756 205 Q HA 0.515 4.855 4.340 -0.000 0.000 0.295 205 Q C -1.635 174.646 176.000 0.469 0.000 0.903 205 Q CA -0.962 55.096 55.803 0.425 0.000 0.768 205 Q CB 1.633 30.586 28.738 0.359 0.000 1.472 205 Q HN 0.485 nan 8.270 nan 0.000 0.416 206 I N 2.004 122.755 120.570 0.303 0.000 2.306 206 I HA 0.315 4.485 4.170 -0.000 0.000 0.288 206 I C -0.626 175.550 176.117 0.098 0.000 1.036 206 I CA -0.463 60.862 61.300 0.042 0.000 1.221 206 I CB 0.648 38.624 38.000 -0.040 0.000 1.385 206 I HN 0.460 nan 8.210 nan 0.000 0.472 207 W N 8.604 129.842 121.300 -0.104 0.000 2.316 207 W HA 0.511 5.171 4.660 -0.000 0.000 0.311 207 W C -1.778 174.693 176.519 -0.080 0.000 1.217 207 W CA -0.722 56.588 57.345 -0.058 0.000 1.199 207 W CB 1.112 30.537 29.460 -0.058 0.000 1.202 207 W HN 0.317 nan 8.180 nan 0.000 0.528 208 L N 9.319 130.126 121.223 -0.693 0.000 2.345 208 L HA 0.232 4.572 4.340 -0.000 0.000 0.274 208 L C -1.433 174.896 176.870 -0.902 0.000 0.999 208 L CA -1.978 52.533 54.840 -0.548 0.000 0.849 208 L CB 1.661 43.612 42.059 -0.180 0.000 1.220 208 L HN 0.258 nan 8.230 nan 0.000 0.422 209 P HA -0.169 nan 4.420 nan 0.000 0.218 209 P C 0.963 178.018 177.300 -0.408 0.000 1.148 209 P CA 1.142 63.963 63.100 -0.465 0.000 0.822 209 P CB 0.305 31.942 31.700 -0.105 0.000 0.784 210 Q N -1.738 117.787 119.800 -0.457 0.000 2.360 210 Q HA 0.166 4.506 4.340 -0.000 0.000 0.202 210 Q C -0.152 175.226 176.000 -1.038 0.000 0.915 210 Q CA 0.359 55.729 55.803 -0.721 0.000 0.943 210 Q CB 0.045 28.253 28.738 -0.883 0.000 1.064 210 Q HN 0.361 nan 8.270 nan 0.000 0.511 211 F N -0.743 119.047 119.950 -0.266 0.000 2.612 211 F HA 0.350 4.877 4.527 -0.000 0.000 0.332 211 F C 1.029 176.671 175.800 -0.265 0.000 1.167 211 F CA -0.781 57.091 58.000 -0.214 0.000 0.970 211 F CB 1.544 40.446 39.000 -0.164 0.000 1.234 211 F HN -0.320 nan 8.300 nan 0.000 0.453 212 K N 0.972 121.348 120.400 -0.040 0.000 2.217 212 K HA 0.030 4.350 4.320 -0.000 0.000 0.202 212 K C 0.311 176.914 176.600 0.005 0.000 1.051 212 K CA 1.011 57.269 56.287 -0.049 0.000 0.952 212 K CB 0.207 32.705 32.500 -0.004 0.000 0.736 212 K HN 0.679 nan 8.250 nan 0.000 0.453 213 S N -0.908 114.819 115.700 0.045 0.000 2.611 213 S HA 0.198 4.668 4.470 -0.000 0.000 0.270 213 S C -1.437 173.177 174.600 0.023 0.000 1.131 213 S CA -1.153 57.064 58.200 0.029 0.000 0.826 213 S CB 0.760 63.977 63.200 0.028 0.000 1.095 213 S HN 0.262 nan 8.310 nan 0.000 0.461 214 N N 0.241 118.923 118.700 -0.031 0.000 2.671 214 N HA -0.140 4.600 4.740 -0.000 0.000 0.261 214 N C 0.176 175.546 175.510 -0.232 0.000 1.053 214 N CA 0.951 53.952 53.050 -0.083 0.000 0.732 214 N CB -1.539 36.926 38.487 -0.036 0.000 0.887 214 N HN 1.355 nan 8.380 nan 0.000 0.546 215 A N 1.537 124.120 122.820 -0.395 0.000 2.511 215 A HA 0.384 4.704 4.320 -0.000 0.000 0.242 215 A C 0.723 177.850 177.584 -0.762 0.000 1.069 215 A CA 0.269 51.688 52.037 -1.030 0.000 0.763 215 A CB 0.422 18.966 19.000 -0.760 0.000 1.001 215 A HN 0.451 nan 8.150 nan 0.000 0.498 216 R N 1.066 121.009 120.500 -0.927 0.000 2.548 216 R HA 0.586 4.926 4.340 -0.000 0.000 0.280 216 R C -1.554 174.603 176.300 -0.239 0.000 1.061 216 R CA -0.787 55.082 56.100 -0.385 0.000 0.915 216 R CB 1.808 31.995 30.300 -0.187 0.000 1.210 216 R HN 0.524 nan 8.270 nan 0.000 0.442 217 V N -1.301 118.522 119.914 -0.151 0.000 2.656 217 V HA 0.479 4.599 4.120 -0.000 0.000 0.307 217 V C -0.701 175.344 176.094 -0.082 0.000 1.051 217 V CA -1.026 61.232 62.300 -0.069 0.000 0.893 217 V CB 2.069 33.850 31.823 -0.069 0.000 0.999 217 V HN 0.782 nan 8.190 nan 0.000 0.426 218 D N 1.990 122.360 120.400 -0.049 0.000 2.193 218 D HA 0.495 5.135 4.640 -0.000 0.000 0.249 218 D C 0.846 177.103 176.300 -0.072 0.000 1.034 218 D CA -0.577 53.389 54.000 -0.057 0.000 0.902 218 D CB 1.754 42.540 40.800 -0.024 0.000 1.182 218 D HN 0.567 nan 8.370 nan 0.000 0.436 219 L N 2.416 123.581 121.223 -0.097 0.000 2.552 219 L HA 0.033 4.373 4.340 -0.000 0.000 0.227 219 L C 0.316 177.159 176.870 -0.045 0.000 1.146 219 L CA 0.049 54.831 54.840 -0.097 0.000 0.858 219 L CB -0.579 41.401 42.059 -0.133 0.000 0.969 219 L HN 0.575 nan 8.230 nan 0.000 0.451 220 N N 0.787 119.472 118.700 -0.025 0.000 2.725 220 N HA -0.181 4.559 4.740 -0.000 0.000 0.251 220 N C -0.327 175.192 175.510 0.015 0.000 1.031 220 N CA 0.469 53.517 53.050 -0.002 0.000 0.720 220 N CB -1.176 37.310 38.487 -0.003 0.000 0.930 220 N HN 0.069 nan 8.380 nan 0.000 0.543 221 L N 0.789 122.026 121.223 0.025 0.000 2.490 221 L HA 0.077 4.417 4.340 -0.000 0.000 0.274 221 L C 1.208 178.155 176.870 0.128 0.000 1.201 221 L CA 0.810 55.696 54.840 0.078 0.000 0.869 221 L CB 0.272 42.370 42.059 0.066 0.000 1.123 221 L HN 0.273 nan 8.230 nan 0.000 0.484 222 R N 4.229 124.804 120.500 0.126 0.000 2.673 222 R HA 0.646 4.986 4.340 -0.000 0.000 0.281 222 R C -2.801 173.431 176.300 -0.112 0.000 0.991 222 R CA -1.850 54.286 56.100 0.060 0.000 0.896 222 R CB 1.341 31.643 30.300 0.003 0.000 1.201 222 R HN 0.316 nan 8.270 nan 0.000 0.457 223 P HA 0.033 nan 4.420 nan 0.000 0.276 223 P C 0.016 177.089 177.300 -0.377 0.000 1.230 223 P CA -0.197 62.428 63.100 -0.793 0.000 0.776 223 P CB 1.428 32.772 31.700 -0.593 0.000 0.888 224 T N -0.969 113.378 114.554 -0.345 0.000 3.129 224 T HA 0.473 4.823 4.350 -0.000 0.000 0.267 224 T C 0.713 175.325 174.700 -0.147 0.000 1.018 224 T CA 0.040 62.033 62.100 -0.179 0.000 0.903 224 T CB -0.662 68.134 68.868 -0.121 0.000 1.067 224 T HN 0.791 nan 8.240 nan 0.000 0.549 225 G N -0.234 108.456 108.800 -0.183 0.000 2.719 225 G HA2 0.403 4.363 3.960 -0.000 0.000 0.686 225 G HA3 0.403 4.363 3.960 -0.000 0.000 0.686 225 G C 0.572 175.423 174.900 -0.081 0.000 1.201 225 G CA -0.227 44.807 45.100 -0.111 0.000 0.768 225 G HN 1.596 nan 8.290 nan 0.000 0.629 226 G N -0.502 108.271 108.800 -0.045 0.000 2.136 226 G HA2 0.396 4.356 3.960 -0.000 0.000 0.242 226 G HA3 0.396 4.356 3.960 -0.000 0.000 0.242 226 G C 1.930 176.835 174.900 0.008 0.000 0.989 226 G CA 1.007 46.098 45.100 -0.015 0.000 0.682 226 G HN 3.177 nan 8.290 nan 0.000 0.522 227 G N -2.189 106.618 108.800 0.012 0.000 2.159 227 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.256 227 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.256 227 G C 0.327 175.313 174.900 0.143 0.000 0.977 227 G CA 0.964 46.130 45.100 0.111 0.000 0.652 227 G HN 1.620 nan 8.290 nan 0.000 0.531 228 T N 0.456 115.004 114.554 -0.010 0.000 2.806 228 T HA 0.591 4.941 4.350 -0.000 0.000 0.290 228 T C -0.776 173.836 174.700 -0.147 0.000 0.966 228 T CA 0.134 62.238 62.100 0.006 0.000 1.060 228 T CB 1.012 69.866 68.868 -0.024 0.000 0.927 228 T HN 0.217 nan 8.240 nan 0.000 0.485 229 Y N 2.211 122.500 120.300 -0.019 0.000 2.391 229 Y HA 0.607 5.157 4.550 -0.000 0.000 0.341 229 Y C 0.051 175.934 175.900 -0.029 0.000 0.965 229 Y CA -1.031 57.053 58.100 -0.026 0.000 1.067 229 Y CB 1.243 39.679 38.460 -0.040 0.000 1.199 229 Y HN 0.468 nan 8.280 nan 0.000 0.450 230 I N 2.295 122.907 120.570 0.069 0.000 2.569 230 I HA 0.818 4.988 4.170 -0.000 0.000 0.296 230 I C 0.075 176.212 176.117 0.034 0.000 1.028 230 I CA -0.719 60.603 61.300 0.037 0.000 1.082 230 I CB 2.421 40.422 38.000 0.001 0.000 1.264 230 I HN 0.752 nan 8.210 nan 0.000 0.429 231 G N 4.022 112.834 108.800 0.020 0.000 2.690 231 G HA2 0.756 4.716 3.960 -0.000 0.000 0.293 231 G HA3 0.756 4.716 3.960 -0.000 0.000 0.293 231 G C -1.831 173.064 174.900 -0.007 0.000 1.399 231 G CA -0.652 44.450 45.100 0.005 0.000 0.890 231 G HN 0.612 nan 8.290 nan 0.000 0.485 232 R N 0.802 121.294 120.500 -0.014 0.000 2.536 232 R HA 0.530 4.870 4.340 -0.000 0.000 0.269 232 R C -1.935 174.352 176.300 -0.022 0.000 1.113 232 R CA -0.702 55.388 56.100 -0.018 0.000 0.948 232 R CB 1.855 32.148 30.300 -0.012 0.000 1.237 232 R HN 0.587 nan 8.270 nan 0.000 0.441 233 N N 0.352 119.034 118.700 -0.030 0.000 2.934 233 N HA 0.481 5.221 4.740 -0.000 0.000 0.253 233 N C -2.022 173.475 175.510 -0.022 0.000 1.466 233 N CA -0.263 52.773 53.050 -0.024 0.000 0.858 233 N CB 2.505 40.974 38.487 -0.030 0.000 1.459 233 N HN 0.675 nan 8.380 nan 0.000 0.532 234 S N -0.976 114.719 115.700 -0.007 0.000 2.579 234 S HA 0.765 5.235 4.470 -0.000 0.000 0.272 234 S C -1.572 173.042 174.600 0.024 0.000 1.141 234 S CA -0.617 57.582 58.200 -0.002 0.000 0.843 234 S CB 1.378 64.578 63.200 -0.001 0.000 1.122 234 S HN 0.222 nan 8.310 nan 0.000 0.468 235 V N 1.922 121.855 119.914 0.031 0.000 2.531 235 V HA 0.482 4.602 4.120 -0.000 0.000 0.301 235 V C -1.092 175.035 176.094 0.056 0.000 1.034 235 V CA -0.715 61.627 62.300 0.070 0.000 0.865 235 V CB 1.771 33.634 31.823 0.067 0.000 0.995 235 V HN 0.946 nan 8.190 nan 0.000 0.424 236 D N 5.910 126.338 120.400 0.047 0.000 2.255 236 D HA 0.660 5.300 4.640 -0.000 0.000 0.249 236 D C -0.017 176.279 176.300 -0.006 0.000 1.078 236 D CA 0.007 54.022 54.000 0.025 0.000 0.896 236 D CB 1.755 42.561 40.800 0.010 0.000 1.194 236 D HN 0.632 nan 8.370 nan 0.000 0.429 237 M N -0.526 119.062 119.600 -0.021 0.000 2.755 237 M HA 0.617 5.097 4.480 -0.000 0.000 0.273 237 M C -1.595 174.646 176.300 -0.098 0.000 1.278 237 M CA -0.886 54.342 55.300 -0.120 0.000 0.819 237 M CB 2.356 34.811 32.600 -0.243 0.000 1.694 237 M HN 0.292 nan 8.290 nan 0.000 0.460 238 c N 1.402 119.915 118.600 -0.145 0.000 2.608 238 c HA 0.728 5.298 4.570 -0.000 0.000 0.325 238 c C -1.407 172.578 174.090 -0.176 0.000 1.147 238 c CA -0.479 55.835 56.329 -0.024 0.000 1.359 238 c CB 1.088 43.702 42.510 0.173 0.000 1.912 238 c HN 0.780 nan 8.230 nan 0.000 0.466 239 F N 4.965 124.962 119.950 0.078 0.000 2.404 239 F HA 0.398 4.925 4.527 -0.000 0.000 0.358 239 F C -0.081 175.835 175.800 0.193 0.000 1.120 239 F CA -0.137 57.791 58.000 -0.120 0.000 1.144 239 F CB 0.470 39.174 39.000 -0.494 0.000 1.133 239 F HN 0.578 nan 8.300 nan 0.000 0.495 240 Y N 4.431 124.898 120.300 0.278 0.000 2.341 240 Y HA 0.251 4.801 4.550 -0.000 0.000 0.338 240 Y C 0.506 176.690 175.900 0.474 0.000 0.965 240 Y CA -1.842 56.402 58.100 0.240 0.000 1.108 240 Y CB 0.984 39.500 38.460 0.094 0.000 1.180 240 Y HN 0.626 nan 8.280 nan 0.000 0.458 241 D N 2.747 123.054 120.400 -0.156 0.000 2.328 241 D HA 0.126 4.766 4.640 -0.000 0.000 0.221 241 D C 1.490 177.560 176.300 -0.382 0.000 1.072 241 D CA 0.446 54.413 54.000 -0.055 0.000 0.850 241 D CB -0.247 40.721 40.800 0.279 0.000 0.922 241 D HN 0.934 nan 8.370 nan 0.000 0.516 242 G N 0.342 108.446 108.800 -1.160 0.000 2.233 242 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.270 242 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.270 242 G C 0.048 174.919 174.900 -0.048 0.000 1.011 242 G CA 0.742 45.491 45.100 -0.585 0.000 0.762 242 G HN 0.466 nan 8.290 nan 0.000 0.511 243 Y N -0.554 119.587 120.300 -0.265 0.000 2.898 243 Y HA 0.431 4.981 4.550 -0.000 0.000 0.249 243 Y C 1.057 176.929 175.900 -0.047 0.000 1.108 243 Y CA -0.098 57.972 58.100 -0.050 0.000 1.184 243 Y CB 0.257 38.696 38.460 -0.034 0.000 1.245 243 Y HN 0.707 nan 8.280 nan 0.000 0.611 244 S N 1.202 116.879 115.700 -0.038 0.000 3.587 244 S HA -0.269 4.201 4.470 -0.000 0.000 0.337 244 S C 0.805 175.228 174.600 -0.295 0.000 1.119 244 S CA 2.433 60.536 58.200 -0.161 0.000 0.976 244 S CB -1.913 61.195 63.200 -0.153 0.000 0.922 244 S HN 1.629 nan 8.310 nan 0.000 0.503 245 T N -2.287 112.051 114.554 -0.359 0.000 4.331 245 T HA -0.232 4.118 4.350 -0.000 0.000 0.323 245 T C 0.369 175.084 174.700 0.025 0.000 0.836 245 T CA 1.410 63.227 62.100 -0.473 0.000 1.985 245 T CB -2.361 65.981 68.868 -0.878 0.000 1.919 245 T HN 0.677 nan 8.240 nan 0.000 0.905 246 N N 0.379 119.090 118.700 0.019 0.000 2.463 246 N HA 0.072 4.812 4.740 -0.000 0.000 0.181 246 N C 0.326 176.005 175.510 0.283 0.000 1.078 246 N CA 0.422 53.498 53.050 0.042 0.000 0.902 246 N CB 0.253 38.543 38.487 -0.329 0.000 0.970 246 N HN 0.661 nan 8.380 nan 0.000 0.451 247 S N 0.462 116.430 115.700 0.448 0.000 2.549 247 S HA 0.019 4.489 4.470 -0.000 0.000 0.286 247 S C 1.438 176.195 174.600 0.263 0.000 1.314 247 S CA -0.397 58.025 58.200 0.369 0.000 1.062 247 S CB 1.138 64.572 63.200 0.389 0.000 0.865 247 S HN 0.357 nan 8.310 nan 0.000 0.498 248 S N 1.091 116.872 115.700 0.137 0.000 2.527 248 S HA 0.135 4.604 4.470 -0.000 0.000 0.222 248 S C 0.593 175.182 174.600 -0.018 0.000 0.985 248 S CA 0.097 58.337 58.200 0.066 0.000 0.921 248 S CB -0.207 63.023 63.200 0.049 0.000 0.772 248 S HN 0.794 nan 8.310 nan 0.000 0.529 249 S N 0.649 116.322 115.700 -0.046 0.000 2.570 249 S HA 0.749 5.219 4.470 -0.000 0.000 0.270 249 S C -1.369 173.147 174.600 -0.141 0.000 1.149 249 S CA -1.177 56.950 58.200 -0.121 0.000 0.837 249 S CB 1.387 64.539 63.200 -0.080 0.000 1.124 249 S HN 0.627 nan 8.310 nan 0.000 0.465 250 L N -1.376 119.736 121.223 -0.184 0.000 2.409 250 L HA 0.852 5.192 4.340 -0.000 0.000 0.262 250 L C -0.611 176.215 176.870 -0.073 0.000 0.992 250 L CA -0.780 54.005 54.840 -0.091 0.000 0.817 250 L CB 1.628 43.645 42.059 -0.069 0.000 1.350 250 L HN 0.924 nan 8.230 nan 0.000 0.411 251 E N 2.256 122.447 120.200 -0.015 0.000 2.158 251 E HA 0.718 5.067 4.350 -0.000 0.000 0.271 251 E C -1.531 175.083 176.600 0.024 0.000 0.911 251 E CA -0.569 55.818 56.400 -0.023 0.000 0.767 251 E CB 1.522 31.202 29.700 -0.033 0.000 1.120 251 E HN 0.748 nan 8.360 nan 0.000 0.405 252 I N 3.856 124.401 120.570 -0.041 0.000 2.647 252 I HA 0.497 4.667 4.170 -0.000 0.000 0.295 252 I C -0.522 175.557 176.117 -0.064 0.000 1.078 252 I CA -0.841 60.401 61.300 -0.097 0.000 1.048 252 I CB 2.227 40.054 38.000 -0.288 0.000 1.239 252 I HN 0.483 nan 8.210 nan 0.000 0.421 253 R N 4.732 125.140 120.500 -0.153 0.000 2.626 253 R HA 0.609 4.949 4.340 -0.000 0.000 0.274 253 R C -2.161 173.999 176.300 -0.234 0.000 1.031 253 R CA -0.515 55.553 56.100 -0.054 0.000 0.898 253 R CB 1.854 32.163 30.300 0.016 0.000 1.222 253 R HN 0.364 nan 8.270 nan 0.000 0.455 254 F N 1.931 121.982 119.950 0.167 0.000 2.507 254 F HA 0.512 5.039 4.527 -0.000 0.000 0.325 254 F C 0.145 176.132 175.800 0.310 0.000 1.116 254 F CA -0.471 57.664 58.000 0.224 0.000 0.930 254 F CB 2.167 41.288 39.000 0.202 0.000 1.146 254 F HN 0.259 nan 8.300 nan 0.000 0.447 255 Q N 2.335 122.395 119.800 0.434 0.000 2.435 255 Q HA 0.314 4.654 4.340 -0.000 0.000 0.282 255 Q C -2.010 174.177 176.000 0.312 0.000 1.020 255 Q CA -0.770 55.222 55.803 0.314 0.000 0.820 255 Q CB 3.468 32.302 28.738 0.160 0.000 1.436 255 Q HN 0.800 nan 8.270 nan 0.000 0.395 256 D N 0.228 120.773 120.400 0.242 0.000 2.450 256 D HA 0.221 4.861 4.640 -0.000 0.000 0.238 256 D C 0.118 176.504 176.300 0.143 0.000 1.020 256 D CA -0.332 53.809 54.000 0.234 0.000 1.010 256 D CB 0.894 41.898 40.800 0.340 0.000 1.342 256 D HN 0.400 nan 8.370 nan 0.000 0.530 257 D N 0.226 120.707 120.400 0.136 0.000 2.156 257 D HA -0.183 4.457 4.640 -0.000 0.000 0.190 257 D C 0.269 176.615 176.300 0.076 0.000 0.998 257 D CA 1.194 55.249 54.000 0.092 0.000 0.842 257 D CB -0.391 40.461 40.800 0.087 0.000 0.974 257 D HN 0.569 nan 8.370 nan 0.000 0.447 258 N N 1.338 120.095 118.700 0.095 0.000 2.950 258 N HA -0.052 4.688 4.740 -0.000 0.000 0.329 258 N C -0.390 175.151 175.510 0.051 0.000 1.197 258 N CA -0.407 52.683 53.050 0.068 0.000 1.168 258 N CB -0.130 38.426 38.487 0.114 0.000 1.414 258 N HN -0.087 nan 8.380 nan 0.000 0.554 259 S N 1.047 116.763 115.700 0.027 0.000 2.437 259 S HA 0.039 4.509 4.470 -0.000 0.000 0.304 259 S C 1.195 175.789 174.600 -0.011 0.000 1.167 259 S CA -0.399 57.803 58.200 0.005 0.000 1.106 259 S CB 0.156 63.357 63.200 0.002 0.000 1.099 259 S HN 0.403 nan 8.310 nan 0.000 0.524 260 K N 1.868 122.262 120.400 -0.011 0.000 2.373 260 K HA 0.280 4.600 4.320 -0.000 0.000 0.202 260 K C 0.331 176.922 176.600 -0.015 0.000 1.025 260 K CA -0.176 56.092 56.287 -0.031 0.000 1.115 260 K CB 0.314 32.763 32.500 -0.085 0.000 0.858 260 K HN 0.436 nan 8.250 nan 0.000 0.525 261 S N 1.971 117.661 115.700 -0.016 0.000 3.482 261 S HA -0.101 4.369 4.470 -0.000 0.000 0.294 261 S C 0.289 174.876 174.600 -0.022 0.000 1.244 261 S CA 1.378 59.565 58.200 -0.022 0.000 0.911 261 S CB -1.229 61.960 63.200 -0.018 0.000 1.070 261 S HN 0.822 nan 8.310 nan 0.000 0.614 262 D N -0.172 120.219 120.400 -0.015 0.000 2.431 262 D HA 0.416 5.056 4.640 -0.000 0.000 0.213 262 D C 1.239 177.500 176.300 -0.066 0.000 1.130 262 D CA 0.667 54.658 54.000 -0.015 0.000 0.834 262 D CB -0.365 40.454 40.800 0.032 0.000 0.985 262 D HN 0.813 nan 8.370 nan 0.000 0.504 263 G N 0.638 109.363 108.800 -0.124 0.000 2.168 263 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.263 263 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.263 263 G C 0.142 174.827 174.900 -0.358 0.000 0.977 263 G CA 0.465 45.438 45.100 -0.212 0.000 0.659 263 G HN 0.471 nan 8.290 nan 0.000 0.533 264 K N -0.838 119.357 120.400 -0.342 0.000 2.123 264 K HA 0.696 5.016 4.320 -0.000 0.000 0.248 264 K C -0.664 175.498 176.600 -0.730 0.000 0.969 264 K CA -0.731 55.265 56.287 -0.484 0.000 0.882 264 K CB 1.014 33.247 32.500 -0.445 0.000 1.080 264 K HN 0.043 nan 8.250 nan 0.000 0.441 265 F N 1.336 120.901 119.950 -0.642 0.000 2.444 265 F HA 0.347 4.874 4.527 -0.000 0.000 0.342 265 F C -0.545 174.800 175.800 -0.759 0.000 1.121 265 F CA -0.644 56.945 58.000 -0.685 0.000 0.997 265 F CB 0.922 39.232 39.000 -1.149 0.000 1.130 265 F HN 0.325 nan 8.300 nan 0.000 0.454 266 Y N 3.300 123.665 120.300 0.108 0.000 2.409 266 Y HA 0.597 5.147 4.550 -0.000 0.000 0.343 266 Y C -0.414 175.697 175.900 0.352 0.000 0.973 266 Y CA -1.020 57.207 58.100 0.212 0.000 1.064 266 Y CB 1.560 40.089 38.460 0.115 0.000 1.207 266 Y HN 0.311 nan 8.280 nan 0.000 0.452 267 L N 3.563 125.084 121.223 0.496 0.000 2.334 267 L HA 0.559 4.899 4.340 -0.000 0.000 0.275 267 L C -0.460 176.642 176.870 0.387 0.000 1.036 267 L CA -0.918 54.145 54.840 0.371 0.000 0.807 267 L CB 1.519 43.732 42.059 0.256 0.000 1.231 267 L HN 0.562 nan 8.230 nan 0.000 0.438 268 K N 1.732 122.303 120.400 0.286 0.000 2.259 268 K HA 0.345 4.665 4.320 -0.000 0.000 0.249 268 K C -0.779 175.842 176.600 0.036 0.000 0.942 268 K CA -0.951 55.450 56.287 0.191 0.000 0.816 268 K CB 2.437 34.995 32.500 0.097 0.000 1.155 268 K HN 0.341 nan 8.250 nan 0.000 0.428 269 K N 3.208 123.487 120.400 -0.202 0.000 2.379 269 K HA 0.133 4.453 4.320 -0.000 0.000 0.284 269 K C -0.266 176.173 176.600 -0.268 0.000 1.044 269 K CA -0.217 55.719 56.287 -0.585 0.000 0.974 269 K CB 0.272 32.357 32.500 -0.692 0.000 0.962 269 K HN 0.466 nan 8.250 nan 0.000 0.474 270 I N 5.343 125.776 120.570 -0.229 0.000 2.683 270 I HA -0.183 3.987 4.170 -0.000 0.000 0.286 270 I C 0.474 176.520 176.117 -0.118 0.000 1.175 270 I CA 0.375 61.601 61.300 -0.124 0.000 1.429 270 I CB 0.117 38.060 38.000 -0.095 0.000 1.371 270 I HN 0.943 nan 8.210 nan 0.000 0.569 271 N N 2.968 121.621 118.700 -0.080 0.000 2.984 271 N HA -0.192 4.547 4.740 -0.000 0.000 0.227 271 N C -0.263 175.205 175.510 -0.070 0.000 0.903 271 N CA 1.243 54.253 53.050 -0.067 0.000 0.995 271 N CB -0.876 37.572 38.487 -0.064 0.000 1.065 271 N HN 0.735 nan 8.380 nan 0.000 0.585 272 D N -0.038 120.309 120.400 -0.089 0.000 2.668 272 D HA 0.246 4.886 4.640 -0.000 0.000 0.247 272 D C 0.089 176.348 176.300 -0.069 0.000 1.268 272 D CA -0.378 53.577 54.000 -0.076 0.000 0.842 272 D CB 0.210 40.957 40.800 -0.088 0.000 1.399 272 D HN -0.157 nan 8.370 nan 0.000 0.530 273 D N -0.262 120.111 120.400 -0.045 0.000 2.221 273 D HA -0.156 4.484 4.640 -0.000 0.000 0.204 273 D C 1.990 178.278 176.300 -0.021 0.000 0.982 273 D CA 1.407 55.390 54.000 -0.028 0.000 0.857 273 D CB 0.358 41.146 40.800 -0.021 0.000 0.934 273 D HN 0.413 nan 8.370 nan 0.000 0.475 274 S N -0.945 114.741 115.700 -0.023 0.000 2.447 274 S HA -0.070 4.400 4.470 -0.000 0.000 0.233 274 S C 0.893 175.495 174.600 0.003 0.000 1.006 274 S CA 0.397 58.587 58.200 -0.017 0.000 0.957 274 S CB 0.066 63.256 63.200 -0.016 0.000 0.773 274 S HN -0.096 nan 8.310 nan 0.000 0.507 275 K N 2.319 122.728 120.400 0.015 0.000 2.248 275 K HA 0.557 4.877 4.320 -0.000 0.000 0.281 275 K C -0.310 176.394 176.600 0.174 0.000 1.054 275 K CA -0.001 56.333 56.287 0.077 0.000 0.903 275 K CB 1.143 33.674 32.500 0.052 0.000 1.077 275 K HN 0.433 nan 8.250 nan 0.000 0.474 276 E N 1.592 121.921 120.200 0.215 0.000 2.281 276 E HA 0.581 4.930 4.350 -0.000 0.000 0.262 276 E C -1.129 175.647 176.600 0.294 0.000 0.933 276 E CA -1.059 55.511 56.400 0.284 0.000 0.809 276 E CB 2.143 31.953 29.700 0.183 0.000 1.242 276 E HN 0.264 nan 8.360 nan 0.000 0.418 277 L N 1.840 123.234 121.223 0.285 0.000 2.482 277 L HA 0.392 4.732 4.340 -0.000 0.000 0.269 277 L C -1.548 175.429 176.870 0.178 0.000 0.967 277 L CA -0.828 54.061 54.840 0.082 0.000 0.851 277 L CB 1.544 43.424 42.059 -0.298 0.000 1.242 277 L HN 0.324 nan 8.230 nan 0.000 0.404 278 V N 5.054 125.024 119.914 0.093 0.000 2.583 278 V HA 0.346 4.466 4.120 -0.000 0.000 0.287 278 V C -0.491 175.635 176.094 0.054 0.000 1.051 278 V CA -0.027 62.230 62.300 -0.072 0.000 1.010 278 V CB 0.970 32.692 31.823 -0.167 0.000 0.988 278 V HN 0.700 nan 8.190 nan 0.000 0.478 279 Y N 1.530 121.772 120.300 -0.098 0.000 2.609 279 Y HA 0.886 5.435 4.550 -0.000 0.000 0.342 279 Y C -0.159 175.724 175.900 -0.029 0.000 1.058 279 Y CA -1.015 57.048 58.100 -0.062 0.000 1.055 279 Y CB 1.816 40.236 38.460 -0.067 0.000 1.292 279 Y HN 0.596 nan 8.280 nan 0.000 0.476 280 T N 0.388 114.947 114.554 0.008 0.000 2.924 280 T HA 0.767 5.117 4.350 -0.000 0.000 0.291 280 T C -1.093 173.551 174.700 -0.093 0.000 1.045 280 T CA -0.929 61.134 62.100 -0.061 0.000 1.015 280 T CB 1.734 70.585 68.868 -0.028 0.000 1.103 280 T HN 0.782 nan 8.240 nan 0.000 0.496 281 L N 1.971 123.091 121.223 -0.171 0.000 2.346 281 L HA 0.773 5.113 4.340 -0.000 0.000 0.274 281 L C 0.006 176.770 176.870 -0.177 0.000 1.007 281 L CA -0.981 53.709 54.840 -0.249 0.000 0.818 281 L CB 2.235 43.992 42.059 -0.504 0.000 1.284 281 L HN 1.042 nan 8.230 nan 0.000 0.424 282 S N 2.405 118.005 115.700 -0.167 0.000 2.549 282 S HA 0.790 5.260 4.470 -0.000 0.000 0.280 282 S C -1.219 173.298 174.600 -0.138 0.000 1.109 282 S CA -0.771 57.354 58.200 -0.125 0.000 0.905 282 S CB 2.478 65.636 63.200 -0.069 0.000 1.081 282 S HN 0.473 nan 8.310 nan 0.000 0.477 283 L N 2.505 123.663 121.223 -0.108 0.000 2.404 283 L HA 0.669 5.009 4.340 -0.000 0.000 0.272 283 L C -1.457 175.410 176.870 -0.004 0.000 0.980 283 L CA -0.849 53.953 54.840 -0.064 0.000 0.836 283 L CB 1.697 43.710 42.059 -0.077 0.000 1.238 283 L HN 0.848 nan 8.230 nan 0.000 0.408 284 L N 6.065 127.300 121.223 0.021 0.000 2.312 284 L HA 0.468 4.808 4.340 -0.000 0.000 0.287 284 L C -1.130 175.784 176.870 0.074 0.000 1.091 284 L CA -0.005 54.856 54.840 0.036 0.000 0.846 284 L CB 0.770 42.849 42.059 0.033 0.000 1.219 284 L HN 0.709 nan 8.230 nan 0.000 0.439 285 L N 6.647 127.910 121.223 0.067 0.000 2.283 285 L HA 0.626 4.966 4.340 -0.000 0.000 0.281 285 L C 0.871 177.790 176.870 0.081 0.000 1.033 285 L CA 0.298 55.195 54.840 0.096 0.000 0.848 285 L CB 0.496 42.580 42.059 0.041 0.000 1.226 285 L HN 0.866 nan 8.230 nan 0.000 0.429 286 A N 3.905 126.800 122.820 0.125 0.000 2.640 286 A HA 0.069 4.389 4.320 -0.000 0.000 0.300 286 A C 1.542 179.172 177.584 0.077 0.000 1.499 286 A CA 1.330 53.444 52.037 0.127 0.000 0.759 286 A CB -2.063 17.060 19.000 0.205 0.000 1.048 286 A HN 2.362 nan 8.150 nan 0.000 0.450 287 G N -1.878 106.955 108.800 0.056 0.000 2.195 287 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.246 287 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.246 287 G C 0.104 175.017 174.900 0.021 0.000 0.984 287 G CA 1.099 46.220 45.100 0.035 0.000 0.633 287 G HN 1.489 nan 8.290 nan 0.000 0.525 288 K N 1.155 121.565 120.400 0.017 0.000 2.265 288 K HA 0.460 4.780 4.320 -0.000 0.000 0.267 288 K C -0.365 176.237 176.600 0.003 0.000 0.994 288 K CA -0.729 55.559 56.287 0.001 0.000 0.860 288 K CB 0.362 32.852 32.500 -0.017 0.000 1.099 288 K HN 0.109 nan 8.250 nan 0.000 0.448 289 N N 5.066 123.765 118.700 -0.002 0.000 2.408 289 N HA 0.220 4.960 4.740 -0.000 0.000 0.257 289 N C -0.806 174.697 175.510 -0.012 0.000 1.064 289 N CA 0.013 53.060 53.050 -0.005 0.000 0.952 289 N CB 0.695 39.178 38.487 -0.006 0.000 1.093 289 N HN 0.407 nan 8.380 nan 0.000 0.490 290 L N 0.824 122.038 121.223 -0.016 0.000 2.301 290 L HA 0.537 4.877 4.340 -0.000 0.000 0.264 290 L C 0.346 177.194 176.870 -0.037 0.000 1.016 290 L CA -0.713 54.115 54.840 -0.020 0.000 0.821 290 L CB 1.942 43.995 42.059 -0.010 0.000 1.346 290 L HN 0.243 nan 8.230 nan 0.000 0.429 291 T N 1.168 115.704 114.554 -0.029 0.000 3.141 291 T HA 0.353 4.703 4.350 -0.000 0.000 0.377 291 T C -2.548 172.142 174.700 -0.017 0.000 1.258 291 T CA -0.995 61.082 62.100 -0.038 0.000 1.263 291 T CB 0.853 69.708 68.868 -0.022 0.000 1.066 291 T HN 0.217 nan 8.240 nan 0.000 0.546 292 P HA 0.310 nan 4.420 nan 0.000 0.271 292 P C -0.028 177.364 177.300 0.153 0.000 1.220 292 P CA -0.271 62.850 63.100 0.035 0.000 0.768 292 P CB 0.495 32.088 31.700 -0.177 0.000 0.848 293 T N -0.646 114.012 114.554 0.173 0.000 2.932 293 T HA 0.325 4.675 4.350 -0.000 0.000 0.289 293 T C 0.201 174.913 174.700 0.021 0.000 1.039 293 T CA -1.055 61.116 62.100 0.118 0.000 1.024 293 T CB 0.705 69.570 68.868 -0.005 0.000 1.090 293 T HN 0.150 nan 8.240 nan 0.000 0.496 294 N N 0.824 119.217 118.700 -0.512 0.000 2.386 294 N HA 0.187 4.927 4.740 -0.000 0.000 0.273 294 N C 1.553 176.952 175.510 -0.186 0.000 1.331 294 N CA 1.740 54.396 53.050 -0.656 0.000 0.891 294 N CB -0.498 37.338 38.487 -1.085 0.000 1.139 294 N HN 1.239 nan 8.380 nan 0.000 0.487 295 G N 2.411 111.208 108.800 -0.005 0.000 2.176 295 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.253 295 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.253 295 G C -0.041 174.881 174.900 0.037 0.000 0.979 295 G CA -0.131 44.983 45.100 0.022 0.000 0.641 295 G HN 0.612 nan 8.290 nan 0.000 0.530 296 Q N 0.929 120.763 119.800 0.056 0.000 2.349 296 Q HA 0.667 5.007 4.340 -0.000 0.000 0.254 296 Q C 0.619 176.669 176.000 0.083 0.000 0.980 296 Q CA 0.483 56.318 55.803 0.053 0.000 0.924 296 Q CB 0.996 29.756 28.738 0.038 0.000 1.209 296 Q HN 0.814 nan 8.270 nan 0.000 0.445 297 A N 4.323 127.175 122.820 0.053 0.000 2.462 297 A HA 0.342 4.661 4.320 -0.000 0.000 0.243 297 A C -0.302 177.305 177.584 0.038 0.000 1.076 297 A CA -0.075 51.988 52.037 0.044 0.000 0.773 297 A CB 0.233 19.244 19.000 0.017 0.000 1.010 297 A HN 0.720 nan 8.150 nan 0.000 0.493 298 L N 2.941 124.186 121.223 0.035 0.000 2.322 298 L HA 0.378 4.718 4.340 -0.000 0.000 0.281 298 L C -0.072 176.781 176.870 -0.028 0.000 1.014 298 L CA -0.441 54.406 54.840 0.013 0.000 0.815 298 L CB 1.484 43.563 42.059 0.034 0.000 1.247 298 L HN 0.656 nan 8.230 nan 0.000 0.421 299 N N 4.847 123.524 118.700 -0.038 0.000 2.479 299 N HA 0.487 5.227 4.740 -0.000 0.000 0.261 299 N C -1.201 174.263 175.510 -0.077 0.000 0.979 299 N CA -0.408 52.607 53.050 -0.058 0.000 0.930 299 N CB 2.215 40.676 38.487 -0.043 0.000 1.172 299 N HN 0.332 nan 8.380 nan 0.000 0.499 300 I N 1.489 121.988 120.570 -0.118 0.000 2.433 300 I HA 0.304 4.473 4.170 -0.000 0.000 0.292 300 I C 0.137 176.155 176.117 -0.164 0.000 1.001 300 I CA -0.765 60.450 61.300 -0.143 0.000 1.119 300 I CB 1.400 39.282 38.000 -0.198 0.000 1.289 300 I HN 0.148 nan 8.210 nan 0.000 0.438 301 N N 3.342 121.967 118.700 -0.124 0.000 2.497 301 N HA 0.160 4.900 4.740 -0.000 0.000 0.271 301 N C 1.081 176.501 175.510 -0.151 0.000 1.142 301 N CA 0.167 53.150 53.050 -0.112 0.000 0.965 301 N CB 1.398 39.846 38.487 -0.064 0.000 1.077 301 N HN 0.536 nan 8.380 nan 0.000 0.462 302 T N 1.416 115.873 114.554 -0.163 0.000 2.942 302 T HA -0.034 4.316 4.350 -0.000 0.000 0.265 302 T C 1.774 176.463 174.700 -0.018 0.000 1.062 302 T CA 1.114 63.101 62.100 -0.189 0.000 1.139 302 T CB 0.016 68.797 68.868 -0.145 0.000 0.883 302 T HN 0.635 nan 8.240 nan 0.000 0.468 303 A N 1.798 124.622 122.820 0.006 0.000 1.927 303 A HA -0.174 4.146 4.320 -0.000 0.000 0.220 303 A C 2.387 179.991 177.584 0.033 0.000 1.185 303 A CA 2.434 54.491 52.037 0.033 0.000 0.639 303 A CB -0.787 18.223 19.000 0.017 0.000 0.820 303 A HN 0.627 nan 8.150 nan 0.000 0.451 304 S N -1.249 114.456 115.700 0.009 0.000 2.575 304 S HA 0.387 4.857 4.470 -0.000 0.000 0.215 304 S C 0.433 175.049 174.600 0.026 0.000 0.966 304 S CA -0.406 57.801 58.200 0.012 0.000 0.911 304 S CB -0.414 62.784 63.200 -0.004 0.000 0.780 304 S HN 0.361 nan 8.310 nan 0.000 0.514 305 L N 2.239 123.486 121.223 0.039 0.000 2.349 305 L HA 0.360 4.700 4.340 -0.000 0.000 0.275 305 L C 0.526 177.499 176.870 0.171 0.000 1.115 305 L CA -0.374 54.514 54.840 0.080 0.000 0.820 305 L CB 0.618 42.676 42.059 -0.002 0.000 1.135 305 L HN 0.247 nan 8.230 nan 0.000 0.445 306 E N 1.024 121.311 120.200 0.145 0.000 2.371 306 E HA 0.291 4.641 4.350 -0.000 0.000 0.257 306 E C -0.269 176.421 176.600 0.151 0.000 1.134 306 E CA -0.245 56.221 56.400 0.110 0.000 0.919 306 E CB 1.099 30.840 29.700 0.068 0.000 1.025 306 E HN 0.647 nan 8.360 nan 0.000 0.438 307 T N -0.573 113.980 114.554 -0.002 0.000 2.901 307 T HA 0.559 4.909 4.350 -0.000 0.000 0.293 307 T C -0.528 174.056 174.700 -0.193 0.000 1.084 307 T CA -1.109 60.911 62.100 -0.133 0.000 1.008 307 T CB 1.429 70.099 68.868 -0.330 0.000 1.170 307 T HN 0.229 nan 8.240 nan 0.000 0.509 308 N N -0.623 117.944 118.700 -0.222 0.000 2.380 308 N HA 0.520 5.260 4.740 -0.000 0.000 0.290 308 N C -1.711 173.636 175.510 -0.272 0.000 1.236 308 N CA -0.834 52.107 53.050 -0.182 0.000 0.780 308 N CB 1.276 39.748 38.487 -0.027 0.000 1.438 308 N HN 0.752 nan 8.380 nan 0.000 0.491 309 W N 0.694 121.927 121.300 -0.112 0.000 2.338 309 W HA 0.464 5.124 4.660 -0.000 0.000 0.307 309 W C 0.143 176.565 176.519 -0.162 0.000 1.167 309 W CA -0.388 56.859 57.345 -0.162 0.000 1.208 309 W CB 0.685 30.064 29.460 -0.135 0.000 1.228 309 W HN 0.107 nan 8.180 nan 0.000 0.499 310 N N 1.776 120.465 118.700 -0.018 0.000 2.225 310 N HA 0.204 4.944 4.740 -0.000 0.000 0.298 310 N C -0.657 174.674 175.510 -0.299 0.000 1.076 310 N CA -1.089 51.877 53.050 -0.140 0.000 0.792 310 N CB 1.926 40.281 38.487 -0.220 0.000 1.498 310 N HN 0.302 nan 8.380 nan 0.000 0.474 311 R N 2.209 122.560 120.500 -0.249 0.000 4.576 311 R HA 0.298 4.638 4.340 -0.000 0.000 0.185 311 R C -0.338 175.588 176.300 -0.623 0.000 1.837 311 R CA -0.019 55.909 56.100 -0.287 0.000 1.520 311 R CB -1.315 28.920 30.300 -0.108 0.000 1.403 311 R HN 0.498 nan 8.270 nan 0.000 0.831 312 I N 2.320 122.306 120.570 -0.974 0.000 2.533 312 I HA 0.046 4.216 4.170 -0.000 0.000 0.284 312 I C 0.869 176.516 176.117 -0.782 0.000 1.109 312 I CA -0.017 60.372 61.300 -1.518 0.000 1.412 312 I CB 0.938 38.134 38.000 -1.339 0.000 1.396 312 I HN 0.468 nan 8.210 nan 0.000 0.543 313 T N 3.128 117.339 114.554 -0.571 0.000 2.902 313 T HA 0.651 5.001 4.350 -0.000 0.000 0.280 313 T C 0.170 174.858 174.700 -0.020 0.000 0.992 313 T CA -1.000 61.020 62.100 -0.134 0.000 1.015 313 T CB 1.571 70.474 68.868 0.057 0.000 1.044 313 T HN 0.642 nan 8.240 nan 0.000 0.520 314 A N 1.417 124.260 122.820 0.038 0.000 2.445 314 A HA 0.446 4.766 4.320 -0.000 0.000 0.242 314 A C 1.495 179.151 177.584 0.119 0.000 1.075 314 A CA -0.662 51.428 52.037 0.087 0.000 0.777 314 A CB -0.132 18.917 19.000 0.080 0.000 1.013 314 A HN 0.834 nan 8.150 nan 0.000 0.493 315 V N 1.945 121.941 119.914 0.136 0.000 2.237 315 V HA -0.184 3.936 4.120 -0.000 0.000 0.245 315 V C 2.314 178.469 176.094 0.101 0.000 1.046 315 V CA 2.897 65.276 62.300 0.133 0.000 1.007 315 V CB -1.134 30.768 31.823 0.132 0.000 0.638 315 V HN 1.153 nan 8.190 nan 0.000 0.445 316 T N -4.308 110.298 114.554 0.085 0.000 3.463 316 T HA 0.429 4.779 4.350 -0.000 0.000 0.203 316 T C 0.235 174.973 174.700 0.063 0.000 0.955 316 T CA -0.181 61.959 62.100 0.067 0.000 1.230 316 T CB 0.694 69.595 68.868 0.055 0.000 1.392 316 T HN 0.164 nan 8.240 nan 0.000 0.361 317 M N 1.677 121.313 119.600 0.059 0.000 2.569 317 M HA 0.591 5.071 4.480 -0.000 0.000 0.279 317 M C -2.796 173.539 176.300 0.059 0.000 1.253 317 M CA -2.124 53.209 55.300 0.055 0.000 0.867 317 M CB 2.995 35.621 32.600 0.042 0.000 1.727 317 M HN 0.215 nan 8.290 nan 0.000 0.467 318 P HA 0.220 nan 4.420 nan 0.000 0.278 318 P C -1.234 176.110 177.300 0.073 0.000 1.266 318 P CA -0.439 62.697 63.100 0.060 0.000 0.807 318 P CB 0.527 32.260 31.700 0.056 0.000 1.094 319 E N 0.198 120.436 120.200 0.062 0.000 2.437 319 E HA 0.101 4.451 4.350 -0.000 0.000 0.263 319 E C -0.496 176.155 176.600 0.085 0.000 1.030 319 E CA -0.101 56.337 56.400 0.063 0.000 0.934 319 E CB 0.100 29.828 29.700 0.048 0.000 0.943 319 E HN 0.297 nan 8.360 nan 0.000 0.444 320 I N 4.214 124.830 120.570 0.075 0.000 2.330 320 I HA 0.037 4.207 4.170 -0.000 0.000 0.286 320 I C 0.677 176.834 176.117 0.068 0.000 1.025 320 I CA -0.256 61.103 61.300 0.099 0.000 1.197 320 I CB 1.394 39.411 38.000 0.029 0.000 1.358 320 I HN 0.485 nan 8.210 nan 0.000 0.467 321 S N 3.970 119.737 115.700 0.111 0.000 2.496 321 S HA 0.136 4.606 4.470 -0.000 0.000 0.224 321 S C 0.533 175.172 174.600 0.065 0.000 0.996 321 S CA -0.036 58.209 58.200 0.076 0.000 0.927 321 S CB 0.240 63.486 63.200 0.078 0.000 0.774 321 S HN 0.415 nan 8.310 nan 0.000 0.524 322 V N 1.902 121.873 119.914 0.095 0.000 3.087 322 V HA 0.405 4.525 4.120 -0.000 0.000 0.306 322 V C -2.745 173.326 176.094 -0.039 0.000 1.187 322 V CA -2.311 60.022 62.300 0.055 0.000 0.999 322 V CB 2.236 34.158 31.823 0.165 0.000 1.049 322 V HN -0.046 nan 8.190 nan 0.000 0.431 323 P HA 0.145 nan 4.420 nan 0.000 0.266 323 P C -0.999 176.213 177.300 -0.146 0.000 1.193 323 P CA 0.427 63.444 63.100 -0.139 0.000 0.770 323 P CB 0.315 31.943 31.700 -0.120 0.000 0.836 324 V N 0.561 120.336 119.914 -0.232 0.000 3.126 324 V HA 0.530 4.650 4.120 -0.000 0.000 0.314 324 V C -0.365 175.548 176.094 -0.302 0.000 1.138 324 V CA -1.226 60.858 62.300 -0.361 0.000 1.034 324 V CB 1.546 33.052 31.823 -0.528 0.000 1.075 324 V HN 0.213 nan 8.190 nan 0.000 0.442 325 L N 1.976 122.957 121.223 -0.403 0.000 2.395 325 L HA 0.753 5.093 4.340 -0.000 0.000 0.269 325 L C 0.054 176.709 176.870 -0.360 0.000 1.133 325 L CA -0.102 54.428 54.840 -0.517 0.000 0.812 325 L CB 1.275 42.946 42.059 -0.646 0.000 1.125 325 L HN 1.149 nan 8.230 nan 0.000 0.452 326 c N -0.715 117.644 118.600 -0.401 0.000 3.311 326 c HA 0.483 5.053 4.570 -0.000 0.000 0.325 326 c C -1.358 172.558 174.090 -0.290 0.000 1.352 326 c CA -1.275 54.862 56.329 -0.320 0.000 1.308 326 c CB 1.400 43.866 42.510 -0.074 0.000 1.619 326 c HN 0.753 nan 8.230 nan 0.000 0.469 327 W N 2.126 123.488 121.300 0.103 0.000 2.342 327 W HA 0.435 5.095 4.660 -0.000 0.000 0.310 327 W C -2.495 174.117 176.519 0.154 0.000 1.128 327 W CA -2.078 55.327 57.345 0.101 0.000 1.322 327 W CB 0.849 30.373 29.460 0.106 0.000 1.251 327 W HN 0.508 nan 8.180 nan 0.000 0.439 328 P HA 0.313 nan 4.420 nan 0.000 0.279 328 P C 0.133 177.581 177.300 0.246 0.000 1.239 328 P CA 0.048 63.272 63.100 0.205 0.000 0.789 328 P CB 1.500 33.276 31.700 0.127 0.000 0.933 329 G N 1.700 110.630 108.800 0.217 0.000 2.662 329 G HA2 0.585 4.545 3.960 -0.000 0.000 0.302 329 G HA3 0.585 4.545 3.960 -0.000 0.000 0.302 329 G C -1.431 173.554 174.900 0.142 0.000 1.389 329 G CA -0.805 44.439 45.100 0.240 0.000 0.998 329 G HN 0.485 nan 8.290 nan 0.000 0.502 330 R N 2.411 122.976 120.500 0.109 0.000 2.337 330 R HA 0.508 4.848 4.340 -0.000 0.000 0.319 330 R C -1.228 175.098 176.300 0.044 0.000 0.954 330 R CA -0.756 55.383 56.100 0.065 0.000 0.840 330 R CB 1.092 31.417 30.300 0.043 0.000 1.164 330 R HN 0.385 nan 8.270 nan 0.000 0.472 331 L N 3.766 125.011 121.223 0.036 0.000 2.260 331 L HA 0.321 4.661 4.340 -0.000 0.000 0.289 331 L C -0.633 176.211 176.870 -0.042 0.000 1.057 331 L CA 0.233 55.057 54.840 -0.025 0.000 0.811 331 L CB 1.423 43.478 42.059 -0.007 0.000 1.184 331 L HN 0.675 nan 8.230 nan 0.000 0.429 332 Q N 5.090 124.850 119.800 -0.067 0.000 2.271 332 Q HA 0.555 4.895 4.340 -0.000 0.000 0.258 332 Q C -1.654 174.305 176.000 -0.068 0.000 0.936 332 Q CA -0.668 55.104 55.803 -0.052 0.000 0.909 332 Q CB 1.199 29.914 28.738 -0.039 0.000 1.253 332 Q HN 0.704 nan 8.270 nan 0.000 0.440 333 L N 3.426 124.619 121.223 -0.050 0.000 2.305 333 L HA 0.579 4.918 4.340 -0.000 0.000 0.284 333 L C -0.561 176.305 176.870 -0.007 0.000 1.013 333 L CA -0.786 54.040 54.840 -0.024 0.000 0.819 333 L CB 1.353 43.373 42.059 -0.066 0.000 1.227 333 L HN 0.546 nan 8.230 nan 0.000 0.417 334 D N 2.609 123.025 120.400 0.028 0.000 2.350 334 D HA 0.714 5.354 4.640 -0.000 0.000 0.245 334 D C -0.795 175.540 176.300 0.059 0.000 1.036 334 D CA -0.210 53.804 54.000 0.023 0.000 0.848 334 D CB 3.093 43.897 40.800 0.006 0.000 1.307 334 D HN 0.643 nan 8.370 nan 0.000 0.469 335 A N 1.934 124.776 122.820 0.037 0.000 2.427 335 A HA 0.519 4.838 4.320 -0.000 0.000 0.298 335 A C -0.850 176.752 177.584 0.030 0.000 1.036 335 A CA -0.737 51.327 52.037 0.045 0.000 0.701 335 A CB 1.619 20.640 19.000 0.036 0.000 1.250 335 A HN 0.411 nan 8.150 nan 0.000 0.412 336 K N 2.675 123.092 120.400 0.029 0.000 2.616 336 K HA 0.590 4.910 4.320 -0.000 0.000 0.241 336 K C -2.001 174.621 176.600 0.036 0.000 0.961 336 K CA -0.243 56.061 56.287 0.030 0.000 0.942 336 K CB 1.532 34.042 32.500 0.017 0.000 1.153 336 K HN 0.482 nan 8.250 nan 0.000 0.452 337 V N 3.645 123.595 119.914 0.059 0.000 2.628 337 V HA 0.433 4.553 4.120 -0.000 0.000 0.306 337 V C -0.831 175.319 176.094 0.093 0.000 1.045 337 V CA -0.839 61.494 62.300 0.056 0.000 0.905 337 V CB 1.997 33.825 31.823 0.009 0.000 0.997 337 V HN 0.556 nan 8.190 nan 0.000 0.436 338 K N 4.280 124.721 120.400 0.069 0.000 2.293 338 K HA 0.390 4.710 4.320 -0.000 0.000 0.267 338 K C 0.001 176.648 176.600 0.079 0.000 1.010 338 K CA -0.218 56.116 56.287 0.077 0.000 0.875 338 K CB 0.563 33.094 32.500 0.052 0.000 1.106 338 K HN 0.761 nan 8.250 nan 0.000 0.450 339 N N 1.758 120.525 118.700 0.113 0.000 2.738 339 N HA -0.146 4.594 4.740 -0.000 0.000 0.249 339 N C -2.312 173.229 175.510 0.051 0.000 1.047 339 N CA 0.414 53.519 53.050 0.093 0.000 0.707 339 N CB -1.180 37.348 38.487 0.068 0.000 0.937 339 N HN 0.519 nan 8.380 nan 0.000 0.545 340 P HA 0.146 nan 4.420 nan 0.000 0.274 340 P C 0.129 177.424 177.300 -0.010 0.000 1.237 340 P CA -0.109 62.963 63.100 -0.047 0.000 0.793 340 P CB 1.068 32.626 31.700 -0.237 0.000 0.977 341 E N 0.783 121.040 120.200 0.095 0.000 2.343 341 E HA 0.418 4.768 4.350 -0.000 0.000 0.269 341 E C -0.200 176.462 176.600 0.104 0.000 1.047 341 E CA -0.799 55.655 56.400 0.089 0.000 0.874 341 E CB 0.739 30.495 29.700 0.093 0.000 1.033 341 E HN 0.529 nan 8.360 nan 0.000 0.409 342 A N 2.770 125.613 122.820 0.039 0.000 2.466 342 A HA 0.538 4.857 4.320 -0.000 0.000 0.238 342 A C 0.697 178.312 177.584 0.051 0.000 1.074 342 A CA 0.680 52.736 52.037 0.032 0.000 0.774 342 A CB -0.164 18.848 19.000 0.020 0.000 1.015 342 A HN 0.945 nan 8.150 nan 0.000 0.498 343 G N 0.191 109.027 108.800 0.060 0.000 2.334 343 G HA2 0.343 4.303 3.960 -0.000 0.000 0.315 343 G HA3 0.343 4.303 3.960 -0.000 0.000 0.315 343 G C -1.531 173.386 174.900 0.029 0.000 1.284 343 G CA -0.799 44.294 45.100 -0.012 0.000 0.985 343 G HN 0.894 nan 8.290 nan 0.000 0.504 344 Q N -0.331 119.420 119.800 -0.083 0.000 2.271 344 Q HA 0.647 4.987 4.340 -0.000 0.000 0.258 344 Q C -1.288 174.623 176.000 -0.148 0.000 0.936 344 Q CA -0.291 55.502 55.803 -0.017 0.000 0.909 344 Q CB 1.776 30.499 28.738 -0.025 0.000 1.253 344 Q HN 0.512 nan 8.270 nan 0.000 0.440 345 Y N 0.904 121.189 120.300 -0.025 0.000 2.509 345 Y HA 0.673 5.223 4.550 -0.000 0.000 0.341 345 Y C 0.166 176.057 175.900 -0.014 0.000 1.038 345 Y CA -0.833 57.260 58.100 -0.011 0.000 1.089 345 Y CB 2.195 40.649 38.460 -0.009 0.000 1.241 345 Y HN 0.551 nan 8.280 nan 0.000 0.468 346 M N 1.044 120.730 119.600 0.143 0.000 2.471 346 M HA 0.724 5.203 4.480 -0.000 0.000 0.284 346 M C -1.230 175.133 176.300 0.105 0.000 1.203 346 M CA -0.187 55.161 55.300 0.080 0.000 0.915 346 M CB 2.469 35.090 32.600 0.034 0.000 1.734 346 M HN 0.821 nan 8.290 nan 0.000 0.485 347 G N 1.693 110.547 108.800 0.090 0.000 2.645 347 G HA2 0.415 4.375 3.960 -0.000 0.000 0.292 347 G HA3 0.415 4.375 3.960 -0.000 0.000 0.292 347 G C -2.363 172.600 174.900 0.105 0.000 1.415 347 G CA -0.621 44.562 45.100 0.138 0.000 0.785 347 G HN 0.735 nan 8.290 nan 0.000 0.483 348 N N -0.565 118.220 118.700 0.143 0.000 2.225 348 N HA 0.534 5.274 4.740 -0.000 0.000 0.298 348 N C -1.366 174.250 175.510 0.176 0.000 1.076 348 N CA -0.531 52.587 53.050 0.113 0.000 0.792 348 N CB 2.302 40.840 38.487 0.084 0.000 1.498 348 N HN 0.354 nan 8.380 nan 0.000 0.474 349 I N 2.180 122.838 120.570 0.147 0.000 2.389 349 I HA 0.236 4.406 4.170 -0.000 0.000 0.288 349 I C 0.098 176.308 176.117 0.155 0.000 0.999 349 I CA -0.683 60.738 61.300 0.202 0.000 1.129 349 I CB 1.765 39.878 38.000 0.189 0.000 1.288 349 I HN 0.312 nan 8.210 nan 0.000 0.444 350 K N 7.807 128.307 120.400 0.166 0.000 2.253 350 K HA 0.540 4.860 4.320 -0.000 0.000 0.277 350 K C -0.897 175.748 176.600 0.075 0.000 1.053 350 K CA -0.435 55.915 56.287 0.105 0.000 0.892 350 K CB 0.744 33.299 32.500 0.092 0.000 1.102 350 K HN 0.543 nan 8.250 nan 0.000 0.469 351 I N 4.343 124.921 120.570 0.014 0.000 2.331 351 I HA 0.166 4.336 4.170 -0.000 0.000 0.292 351 I C 0.333 176.426 176.117 -0.041 0.000 0.998 351 I CA -0.608 60.607 61.300 -0.142 0.000 1.267 351 I CB 1.635 39.542 38.000 -0.156 0.000 1.386 351 I HN 0.641 nan 8.210 nan 0.000 0.476 352 T N 3.242 117.762 114.554 -0.057 0.000 2.912 352 T HA 0.672 5.022 4.350 -0.000 0.000 0.288 352 T C -0.824 173.975 174.700 0.164 0.000 1.030 352 T CA -0.761 61.376 62.100 0.061 0.000 1.020 352 T CB 2.185 71.074 68.868 0.036 0.000 1.056 352 T HN 0.447 nan 8.240 nan 0.000 0.480 353 F N 0.827 120.800 119.950 0.038 0.000 2.573 353 F HA 0.562 5.088 4.527 -0.000 0.000 0.316 353 F C -1.356 174.474 175.800 0.049 0.000 1.148 353 F CA -0.545 57.495 58.000 0.066 0.000 0.940 353 F CB 1.996 41.157 39.000 0.270 0.000 1.214 353 F HN 0.706 nan 8.300 nan 0.000 0.448 354 T N 6.890 121.235 114.554 -0.349 0.000 2.930 354 T HA 0.349 4.699 4.350 -0.000 0.000 0.313 354 T C -2.873 171.526 174.700 -0.501 0.000 1.019 354 T CA -1.278 60.529 62.100 -0.488 0.000 1.004 354 T CB 1.593 70.339 68.868 -0.203 0.000 0.987 354 T HN 0.271 nan 8.240 nan 0.000 0.456 355 P HA 0.267 nan 4.420 nan 0.000 0.278 355 P C 0.211 177.432 177.300 -0.130 0.000 1.238 355 P CA -0.470 62.495 63.100 -0.226 0.000 0.794 355 P CB 0.572 32.210 31.700 -0.103 0.000 0.955 356 S N 1.534 117.205 115.700 -0.048 0.000 2.606 356 S HA 0.471 4.941 4.470 -0.000 0.000 0.257 356 S C 0.315 174.889 174.600 -0.043 0.000 1.327 356 S CA -0.230 57.944 58.200 -0.043 0.000 0.984 356 S CB -0.266 62.923 63.200 -0.018 0.000 0.941 356 S HN 0.668 nan 8.310 nan 0.000 0.576 357 S N -0.638 115.034 115.700 -0.047 0.000 2.651 357 S HA 0.494 4.964 4.470 -0.000 0.000 0.279 357 S C -1.417 173.162 174.600 -0.035 0.000 1.148 357 S CA -1.068 57.093 58.200 -0.065 0.000 0.837 357 S CB 1.118 64.265 63.200 -0.089 0.000 1.138 357 S HN 0.798 nan 8.310 nan 0.000 0.478 358 Q N 1.257 121.035 119.800 -0.037 0.000 2.278 358 Q HA 0.355 4.695 4.340 -0.000 0.000 0.257 358 Q C -0.197 175.789 176.000 -0.022 0.000 0.928 358 Q CA -0.425 55.372 55.803 -0.011 0.000 0.932 358 Q CB 1.200 29.948 28.738 0.016 0.000 1.221 358 Q HN 0.839 nan 8.270 nan 0.000 0.434 359 T N 1.780 116.325 114.554 -0.016 0.000 4.302 359 T HA -0.050 4.300 4.350 -0.000 0.000 0.215 359 T C 1.184 175.867 174.700 -0.029 0.000 0.743 359 T CA -0.221 61.865 62.100 -0.024 0.000 2.138 359 T CB -0.526 68.332 68.868 -0.017 0.000 1.275 359 T HN 0.364 nan 8.240 nan 0.000 0.664 360 L N -0.578 120.621 121.223 -0.041 0.000 2.022 360 L HA 0.348 4.688 4.340 -0.000 0.000 0.204 360 L C 0.900 177.742 176.870 -0.047 0.000 1.076 360 L CA 0.974 55.788 54.840 -0.044 0.000 0.749 360 L CB -2.078 39.947 42.059 -0.058 0.000 0.903 360 L HN 0.574 nan 8.230 nan 0.000 0.439 361 D N -0.334 120.030 120.400 -0.060 0.000 2.812 361 D HA -0.131 4.509 4.640 -0.000 0.000 0.181 361 D C -0.171 176.084 176.300 -0.075 0.000 1.008 361 D CA 0.120 54.083 54.000 -0.061 0.000 0.830 361 D CB -1.447 39.325 40.800 -0.046 0.000 0.934 361 D HN 0.456 nan 8.370 nan 0.000 0.437 362 N N 1.025 119.667 118.700 -0.096 0.000 2.003 362 N HA -0.181 4.559 4.740 -0.000 0.000 0.281 362 N C 0.345 175.793 175.510 -0.103 0.000 1.205 362 N CA 0.756 53.739 53.050 -0.111 0.000 0.840 362 N CB 0.402 38.798 38.487 -0.151 0.000 1.049 362 N HN 0.340 nan 8.380 nan 0.000 0.480 363 K N 1.249 121.592 120.400 -0.094 0.000 2.168 363 K HA 0.048 4.368 4.320 -0.000 0.000 0.258 363 K C 0.279 176.818 176.600 -0.100 0.000 1.010 363 K CA -0.268 55.974 56.287 -0.075 0.000 0.929 363 K CB 0.660 33.132 32.500 -0.047 0.000 0.998 363 K HN 0.475 nan 8.250 nan 0.000 0.479 364 Q N 1.717 121.475 119.800 -0.070 0.000 2.243 364 Q HA 0.326 4.666 4.340 -0.000 0.000 0.252 364 Q C -0.758 175.229 176.000 -0.020 0.000 0.909 364 Q CA -0.737 55.026 55.803 -0.067 0.000 0.922 364 Q CB 1.248 29.965 28.738 -0.035 0.000 1.215 364 Q HN 0.461 nan 8.270 nan 0.000 0.427 365 V N 0.553 120.474 119.914 0.012 0.000 3.103 365 V HA 0.777 4.897 4.120 -0.000 0.000 0.318 365 V C -0.898 175.274 176.094 0.130 0.000 1.114 365 V CA -0.687 61.663 62.300 0.085 0.000 1.020 365 V CB 1.689 33.594 31.823 0.136 0.000 1.085 365 V HN 1.035 nan 8.190 nan 0.000 0.446 366 E N 0.907 121.178 120.200 0.119 0.000 2.446 366 E HA 0.717 5.067 4.350 -0.000 0.000 0.276 366 E C -1.694 174.960 176.600 0.089 0.000 0.969 366 E CA -1.290 55.171 56.400 0.103 0.000 0.800 366 E CB 2.644 32.385 29.700 0.067 0.000 1.341 366 E HN 0.490 nan 8.360 nan 0.000 0.460 367 K N 0.937 121.374 120.400 0.062 0.000 2.525 367 K HA 0.434 4.754 4.320 -0.000 0.000 0.254 367 K C -1.733 174.879 176.600 0.019 0.000 0.934 367 K CA -0.772 55.535 56.287 0.033 0.000 0.802 367 K CB 2.014 34.522 32.500 0.014 0.000 1.295 367 K HN 0.652 nan 8.250 nan 0.000 0.433 368 N N 1.804 120.504 118.700 0.000 0.000 2.342 368 N HA 0.537 5.277 4.740 -0.000 0.000 0.293 368 N C -0.743 174.738 175.510 -0.049 0.000 1.026 368 N CA -0.478 52.571 53.050 -0.002 0.000 0.857 368 N CB 1.586 40.077 38.487 0.006 0.000 1.256 368 N HN 0.309 nan 8.380 nan 0.000 0.484 369 I N 1.150 121.697 120.570 -0.037 0.000 2.378 369 I HA 0.271 4.440 4.170 -0.000 0.000 0.291 369 I C -0.124 175.945 176.117 -0.079 0.000 0.992 369 I CA -0.659 60.578 61.300 -0.104 0.000 1.154 369 I CB 1.738 39.689 38.000 -0.082 0.000 1.315 369 I HN 0.342 nan 8.210 nan 0.000 0.448 370 T N 5.977 120.456 114.554 -0.125 0.000 2.737 370 T HA 0.296 4.646 4.350 -0.000 0.000 0.296 370 T C 0.020 174.659 174.700 -0.102 0.000 0.922 370 T CA -0.283 61.766 62.100 -0.085 0.000 1.079 370 T CB 0.675 69.491 68.868 -0.086 0.000 0.892 370 T HN 0.200 nan 8.240 nan 0.000 0.514 371 V N 5.160 125.026 119.914 -0.079 0.000 2.394 371 V HA 0.621 4.741 4.120 -0.000 0.000 0.282 371 V C 0.674 176.706 176.094 -0.103 0.000 1.031 371 V CA -0.814 61.403 62.300 -0.138 0.000 0.881 371 V CB 1.395 33.072 31.823 -0.243 0.000 0.982 371 V HN 1.072 nan 8.190 nan 0.000 0.451 372 T N 1.439 115.933 114.554 -0.100 0.000 2.907 372 T HA 0.958 5.308 4.350 -0.000 0.000 0.290 372 T C -0.535 174.133 174.700 -0.054 0.000 1.066 372 T CA -0.559 61.514 62.100 -0.044 0.000 1.012 372 T CB 2.329 71.186 68.868 -0.019 0.000 1.184 372 T HN 1.378 nan 8.240 nan 0.000 0.522 373 A N 0.676 123.502 122.820 0.009 0.000 2.577 373 A HA 0.694 5.013 4.320 -0.000 0.000 0.297 373 A C -0.777 176.853 177.584 0.077 0.000 1.060 373 A CA -0.889 51.148 52.037 -0.001 0.000 0.697 373 A CB 1.341 20.292 19.000 -0.081 0.000 1.281 373 A HN 0.856 nan 8.150 nan 0.000 0.402 374 S N 0.406 116.133 115.700 0.045 0.000 2.473 374 S HA 0.578 5.047 4.470 -0.000 0.000 0.307 374 S C -0.556 174.052 174.600 0.014 0.000 1.094 374 S CA -0.522 57.721 58.200 0.071 0.000 1.070 374 S CB 1.598 64.829 63.200 0.050 0.000 1.019 374 S HN 0.811 nan 8.310 nan 0.000 0.480 375 V N 3.664 123.578 119.914 0.000 0.000 2.334 375 V HA 0.373 4.493 4.120 -0.000 0.000 0.267 375 V C -0.328 175.732 176.094 -0.057 0.000 1.040 375 V CA -0.378 61.798 62.300 -0.208 0.000 0.866 375 V CB 0.943 32.556 31.823 -0.351 0.000 1.019 375 V HN 0.815 nan 8.190 nan 0.000 0.468 376 D N 6.953 127.384 120.400 0.053 0.000 2.473 376 D HA 0.391 5.031 4.640 -0.000 0.000 0.253 376 D C -2.093 174.323 176.300 0.194 0.000 1.233 376 D CA -1.451 52.610 54.000 0.103 0.000 0.908 376 D CB 2.835 43.686 40.800 0.085 0.000 1.170 376 D HN 0.239 nan 8.370 nan 0.000 0.558 377 P HA 0.038 nan 4.420 nan 0.000 0.245 377 P C 0.782 178.145 177.300 0.104 0.000 1.212 377 P CA -0.062 63.156 63.100 0.197 0.000 0.774 377 P CB 0.429 32.228 31.700 0.166 0.000 0.999 378 V N 0.000 119.963 119.914 0.081 0.000 2.409 378 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 378 V CA 0.000 62.331 62.300 0.051 0.000 1.235 378 V CB 0.000 31.848 31.823 0.042 0.000 1.184 378 V HN 0.000 nan 8.190 nan 0.000 0.556