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 3m49_1_B DATA FIRST_RESID 3 DATA SEQUENCE HSIEQLSINT IRTLSIDAIE KANSGHPGXP XGAAPXAYTL WTQFXKHNPN DATA SEQUENCE NPTWFNRDRF VLSAGHGSXL LYSLLHLSGY DVTXDDLKNF RQWGSKTPGH DATA SEQUENCE PEYGHTAGVD ATTGPLGQGI ATAVGXAXAE RHLAAKYNRD AYNIVDHYTY DATA SEQUENCE AICGDGDLXE GVSAEASSLA AHLQLGRLVV LYDSNDISLD GDLNRSFSES DATA SEQUENCE VEDRYKAYGW QVIRVEDGND IEAIAKAIEE AKADEKRPTL IEVRTTIGFG DATA SEQUENCE SPNKSGKSAS HGSPLGVEET KLTKEAYAWT AEQDFHVAEE VYENFRKTVQ DATA SEQUENCE DVGETAQAEW NTXLGEYAQA YPELANELQA AXNGLLPEGW EQNLPTYELG DATA SEQUENCE SKAATRNSSG AVINAIAESV PSFFGGSADL AGSNKTYXNN EKDFTRDDYS DATA SEQUENCE GKNIWYGVRE FAXGAAXNGI ALHGGLKTYG GTFFVFSDYL RPAIRLAALX DATA SEQUENCE QLPVTYVFTH DSIAVGEDGP THEPIEQLAA LRAXPNVSVI RPADGNESVA DATA SEQUENCE AWRLALESTN KPTALVLTRQ DLPTLEGAKD DTYEKVAKGA YVVSASKKET DATA SEQUENCE ADVILLATGS EVSLAVEAQK ALAVDGVDAS VVSXPSXDRF EAQTAEYKES DATA SEQUENCE VLPKAVTKRF AIEXGATFGW HRYVGLEGDV LGIDTFGASA PGEKIXEEYG DATA SEQUENCE FTVENVVRKV KEXL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 H HA 0.000 nan 4.556 nan 0.000 0.296 3 H C 0.000 175.327 175.328 -0.002 0.000 0.993 3 H CA 0.000 56.052 56.048 0.007 0.000 1.023 3 H CB 0.000 29.772 29.762 0.016 0.000 1.292 4 S N 0.426 116.390 115.700 0.440 0.000 2.593 4 S HA 0.095 4.565 4.470 -0.000 0.000 0.269 4 S C 1.442 176.086 174.600 0.074 0.000 1.334 4 S CA -0.078 58.236 58.200 0.190 0.000 1.015 4 S CB 0.825 64.139 63.200 0.191 0.000 0.912 4 S HN 0.505 nan 8.310 nan 0.000 0.541 5 I N 1.282 121.871 120.570 0.031 0.000 2.361 5 I HA -0.075 4.095 4.170 -0.000 0.000 0.251 5 I C 2.025 178.097 176.117 -0.076 0.000 1.133 5 I CA 1.549 62.846 61.300 -0.006 0.000 1.413 5 I CB -0.876 37.127 38.000 0.005 0.000 1.073 5 I HN 0.826 nan 8.210 nan 0.000 0.424 6 E N -0.004 120.145 120.200 -0.084 0.000 2.058 6 E HA -0.303 4.047 4.350 -0.000 0.000 0.194 6 E C 2.157 178.509 176.600 -0.412 0.000 0.997 6 E CA 1.615 57.863 56.400 -0.254 0.000 0.801 6 E CB -0.409 29.241 29.700 -0.083 0.000 0.746 6 E HN 0.486 nan 8.360 nan 0.000 0.450 7 Q N 0.119 119.767 119.800 -0.252 0.000 2.124 7 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 7 Q C 1.965 177.831 176.000 -0.223 0.000 0.977 7 Q CA 0.908 56.528 55.803 -0.306 0.000 0.850 7 Q CB -0.287 28.157 28.738 -0.489 0.000 0.901 7 Q HN 0.310 nan 8.270 nan 0.000 0.429 8 L N -0.358 120.789 121.223 -0.126 0.000 2.046 8 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 8 L C 2.069 178.931 176.870 -0.014 0.000 1.077 8 L CA 1.995 56.826 54.840 -0.015 0.000 0.747 8 L CB -0.924 41.145 42.059 0.017 0.000 0.896 8 L HN 0.113 nan 8.230 nan 0.000 0.432 9 S N -0.340 115.289 115.700 -0.119 0.000 2.368 9 S HA -0.138 4.332 4.470 -0.000 0.000 0.225 9 S C 1.973 176.493 174.600 -0.132 0.000 1.030 9 S CA 1.750 59.913 58.200 -0.062 0.000 0.999 9 S CB -0.431 62.665 63.200 -0.173 0.000 0.844 9 S HN 0.467 nan 8.310 nan 0.000 0.459 10 I N 2.055 122.400 120.570 -0.376 0.000 2.179 10 I HA -0.208 3.962 4.170 -0.000 0.000 0.242 10 I C 1.963 177.915 176.117 -0.275 0.000 1.088 10 I CA 0.978 62.079 61.300 -0.331 0.000 1.357 10 I CB -0.388 37.374 38.000 -0.397 0.000 1.051 10 I HN 0.227 nan 8.210 nan 0.000 0.409 11 N N 0.167 118.712 118.700 -0.259 0.000 2.309 11 N HA -0.109 4.631 4.740 -0.000 0.000 0.182 11 N C 1.783 177.046 175.510 -0.411 0.000 1.018 11 N CA 1.367 54.198 53.050 -0.365 0.000 0.876 11 N CB -0.485 37.907 38.487 -0.158 0.000 0.972 11 N HN 0.323 nan 8.380 nan 0.000 0.434 12 T N 1.575 116.047 114.554 -0.136 0.000 2.708 12 T HA 0.015 4.365 4.350 -0.000 0.000 0.266 12 T C 2.093 176.647 174.700 -0.243 0.000 1.037 12 T CA 0.626 62.639 62.100 -0.145 0.000 1.146 12 T CB -0.153 68.777 68.868 0.103 0.000 0.865 12 T HN 0.173 nan 8.240 nan 0.000 0.435 13 I N 0.758 121.222 120.570 -0.177 0.000 2.208 13 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 13 I C 2.834 178.799 176.117 -0.254 0.000 1.097 13 I CA 1.441 62.632 61.300 -0.182 0.000 1.363 13 I CB -0.328 37.595 38.000 -0.128 0.000 1.051 13 I HN 0.151 nan 8.210 nan 0.000 0.413 14 R N 0.213 120.516 120.500 -0.328 0.000 2.066 14 R HA -0.140 4.200 4.340 -0.000 0.000 0.232 14 R C 2.459 178.551 176.300 -0.347 0.000 1.131 14 R CA 2.146 58.045 56.100 -0.333 0.000 0.955 14 R CB -0.814 29.197 30.300 -0.481 0.000 0.851 14 R HN 0.521 nan 8.270 nan 0.000 0.432 15 T N -0.396 113.826 114.554 -0.554 0.000 2.857 15 T HA -0.015 4.335 4.350 -0.000 0.000 0.266 15 T C 2.096 176.524 174.700 -0.454 0.000 1.048 15 T CA 0.627 62.350 62.100 -0.629 0.000 1.139 15 T CB -0.292 67.774 68.868 -1.336 0.000 0.874 15 T HN 0.081 nan 8.240 nan 0.000 0.455 16 L N 0.995 121.998 121.223 -0.366 0.000 2.046 16 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 16 L C 3.154 179.868 176.870 -0.261 0.000 1.077 16 L CA 1.369 56.054 54.840 -0.257 0.000 0.747 16 L CB -0.644 41.335 42.059 -0.133 0.000 0.896 16 L HN 0.321 nan 8.230 nan 0.000 0.432 17 S N 0.100 115.651 115.700 -0.249 0.000 2.356 17 S HA -0.164 4.306 4.470 -0.000 0.000 0.223 17 S C 1.918 176.381 174.600 -0.228 0.000 1.032 17 S CA 1.349 59.403 58.200 -0.244 0.000 1.005 17 S CB -0.271 62.801 63.200 -0.213 0.000 0.867 17 S HN 0.264 nan 8.310 nan 0.000 0.449 18 I N 1.816 122.257 120.570 -0.215 0.000 2.163 18 I HA -0.222 3.948 4.170 -0.000 0.000 0.243 18 I C 2.069 178.058 176.117 -0.214 0.000 1.085 18 I CA 1.266 62.459 61.300 -0.177 0.000 1.347 18 I CB -0.425 37.480 38.000 -0.160 0.000 1.044 18 I HN 0.168 nan 8.210 nan 0.000 0.408 19 D N 0.936 121.122 120.400 -0.356 0.000 2.117 19 D HA -0.156 4.484 4.640 -0.000 0.000 0.197 19 D C 2.248 178.307 176.300 -0.401 0.000 0.987 19 D CA 1.606 55.279 54.000 -0.544 0.000 0.829 19 D CB -0.242 39.910 40.800 -1.079 0.000 0.961 19 D HN 0.371 nan 8.370 nan 0.000 0.460 20 A N 0.420 123.096 122.820 -0.239 0.000 1.930 20 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 20 A C 2.344 180.032 177.584 0.173 0.000 1.175 20 A CA 0.815 52.939 52.037 0.145 0.000 0.627 20 A CB -0.595 18.423 19.000 0.030 0.000 0.815 20 A HN 0.191 nan 8.150 nan 0.000 0.443 21 I N -0.506 120.090 120.570 0.044 0.000 2.286 21 I HA -0.167 4.003 4.170 -0.000 0.000 0.245 21 I C 2.404 178.592 176.117 0.119 0.000 1.104 21 I CA 0.915 62.312 61.300 0.161 0.000 1.397 21 I CB -0.273 37.770 38.000 0.071 0.000 1.072 21 I HN 0.256 nan 8.210 nan 0.000 0.417 22 E N 1.086 121.310 120.200 0.040 0.000 2.049 22 E HA -0.306 4.044 4.350 -0.000 0.000 0.198 22 E C 2.087 178.741 176.600 0.090 0.000 1.007 22 E CA 1.418 57.839 56.400 0.035 0.000 0.809 22 E CB -0.342 29.348 29.700 -0.017 0.000 0.749 22 E HN 0.437 nan 8.360 nan 0.000 0.450 23 K N 0.503 120.995 120.400 0.153 0.000 2.057 23 K HA -0.085 4.235 4.320 -0.000 0.000 0.207 23 K C 2.011 178.710 176.600 0.165 0.000 1.049 23 K CA 1.290 57.699 56.287 0.203 0.000 0.931 23 K CB -0.090 32.623 32.500 0.355 0.000 0.714 23 K HN 0.071 nan 8.250 nan 0.000 0.440 24 A N 1.117 124.058 122.820 0.201 0.000 2.119 24 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 24 A C 0.845 178.481 177.584 0.086 0.000 1.153 24 A CA 1.145 53.271 52.037 0.149 0.000 0.692 24 A CB -0.556 18.563 19.000 0.198 0.000 0.799 24 A HN 0.707 nan 8.150 nan 0.000 0.458 25 N N -1.168 117.584 118.700 0.087 0.000 2.721 25 N HA -0.178 4.562 4.740 -0.000 0.000 0.249 25 N C -0.353 175.173 175.510 0.026 0.000 1.072 25 N CA 1.112 54.190 53.050 0.048 0.000 0.710 25 N CB -1.408 37.100 38.487 0.035 0.000 0.993 25 N HN 0.588 nan 8.380 nan 0.000 0.547 26 S N -1.442 114.283 115.700 0.041 0.000 2.543 26 S HA 0.738 5.208 4.470 -0.000 0.000 0.274 26 S C -0.289 174.338 174.600 0.044 0.000 1.149 26 S CA 0.615 58.809 58.200 -0.009 0.000 0.866 26 S CB 1.249 64.418 63.200 -0.052 0.000 1.111 26 S HN 1.392 nan 8.310 nan 0.000 0.457 27 G N 2.590 111.350 108.800 -0.066 0.000 2.408 27 G HA2 0.185 4.145 3.960 -0.000 0.000 0.682 27 G HA3 0.185 4.145 3.960 -0.000 0.000 0.682 27 G C -1.972 172.798 174.900 -0.215 0.000 1.303 27 G CA -0.823 44.285 45.100 0.015 0.000 0.966 27 G HN 1.026 nan 8.290 nan 0.000 0.560 28 H N 1.026 120.129 119.070 0.055 0.000 2.762 28 H HA 0.529 5.085 4.556 -0.000 0.000 0.310 28 H C -1.639 173.672 175.328 -0.028 0.000 1.004 28 H CA -1.406 54.613 56.048 -0.048 0.000 1.267 28 H CB 2.036 31.743 29.762 -0.091 0.000 1.437 28 H HN 0.352 nan 8.280 nan 0.000 0.498 29 P HA 0.081 nan 4.420 nan 0.000 0.245 29 P C 1.092 178.414 177.300 0.036 0.000 1.199 29 P CA 0.258 63.368 63.100 0.016 0.000 0.807 29 P CB 0.649 32.344 31.700 -0.009 0.000 1.002 35 A N 0.969 123.782 122.820 -0.012 0.000 2.238 35 A HA 0.723 5.043 4.320 -0.000 0.000 0.210 35 A C 2.443 180.007 177.584 -0.032 0.000 1.179 35 A CA 1.621 53.645 52.037 -0.021 0.000 0.827 35 A CB -0.288 18.711 19.000 -0.002 0.000 0.856 35 A HN 1.221 nan 8.150 nan 0.000 0.488 36 A N 0.960 123.748 122.820 -0.054 0.000 1.903 36 A HA -0.020 4.300 4.320 -0.000 0.000 0.219 36 A C -0.816 176.755 177.584 -0.021 0.000 1.191 36 A CA 1.344 53.343 52.037 -0.063 0.000 0.638 36 A CB -1.575 17.356 19.000 -0.116 0.000 0.823 36 A HN 0.454 nan 8.150 nan 0.000 0.451 40 Y N 2.349 122.649 120.300 -0.000 0.000 2.128 40 Y HA -0.188 4.362 4.550 -0.000 0.000 0.284 40 Y C 2.435 178.394 175.900 0.099 0.000 1.154 40 Y CA 3.172 61.305 58.100 0.056 0.000 1.149 40 Y CB -0.452 38.011 38.460 0.006 0.000 0.976 40 Y HN 0.307 nan 8.280 nan 0.000 0.505 41 T N 1.432 116.049 114.554 0.104 0.000 2.674 41 T HA -0.220 4.130 4.350 -0.000 0.000 0.265 41 T C 1.777 176.528 174.700 0.086 0.000 1.039 41 T CA 1.576 63.717 62.100 0.068 0.000 1.150 41 T CB -0.808 68.156 68.868 0.160 0.000 0.864 41 T HN 0.355 nan 8.240 nan 0.000 0.427 42 L N 0.535 121.795 121.223 0.061 0.000 1.990 42 L HA -0.075 4.265 4.340 -0.000 0.000 0.213 42 L C 2.208 179.065 176.870 -0.020 0.000 1.072 42 L CA 1.835 56.663 54.840 -0.019 0.000 0.755 42 L CB -0.886 41.101 42.059 -0.120 0.000 0.889 42 L HN 0.457 nan 8.230 nan 0.000 0.432 43 W N 0.024 121.193 121.300 -0.218 0.000 2.358 43 W HA -0.227 4.433 4.660 -0.000 0.000 0.303 43 W C 2.202 178.707 176.519 -0.023 0.000 1.208 43 W CA 2.585 59.836 57.345 -0.156 0.000 1.274 43 W CB -0.215 29.184 29.460 -0.102 0.000 1.138 43 W HN 0.517 nan 8.180 nan 0.000 0.515 44 T N -3.117 111.431 114.554 -0.010 0.000 3.014 44 T HA 0.074 4.424 4.350 -0.000 0.000 0.250 44 T C 1.411 175.980 174.700 -0.219 0.000 1.060 44 T CA 0.418 62.413 62.100 -0.175 0.000 1.040 44 T CB 0.145 68.661 68.868 -0.585 0.000 0.971 44 T HN 0.171 nan 8.240 nan 0.000 0.497 45 Q N -0.740 118.932 119.800 -0.213 0.000 2.316 45 Q HA 0.404 4.744 4.340 -0.000 0.000 0.235 45 Q C -0.604 174.984 176.000 -0.688 0.000 0.863 45 Q CA 0.119 55.684 55.803 -0.396 0.000 0.939 45 Q CB 0.734 29.250 28.738 -0.370 0.000 1.108 45 Q HN 0.461 nan 8.270 nan 0.000 0.522 49 H N 0.376 119.499 119.070 0.088 0.000 3.079 49 H HA 0.462 5.018 4.556 0.000 0.000 0.356 49 H C -1.475 173.902 175.328 0.082 0.000 1.221 49 H CA -1.089 55.027 56.048 0.112 0.000 1.185 49 H CB 1.469 31.194 29.762 -0.061 0.000 1.882 49 H HN 0.389 nan 8.280 nan 0.000 0.543 50 N N 2.477 121.242 118.700 0.108 0.000 2.564 50 N HA 0.263 5.003 4.740 -0.000 0.000 0.248 50 N C -2.161 173.156 175.510 -0.321 0.000 0.986 50 N CA -2.814 50.150 53.050 -0.143 0.000 0.921 50 N CB 1.654 40.050 38.487 -0.152 0.000 1.136 50 N HN 0.406 nan 8.380 nan 0.000 0.509 51 P HA -0.077 nan 4.420 nan 0.000 0.217 51 P C 0.538 177.504 177.300 -0.557 0.000 1.148 51 P CA 1.116 63.507 63.100 -1.182 0.000 0.828 51 P CB 0.431 31.642 31.700 -0.814 0.000 0.783 52 N N -1.531 116.984 118.700 -0.309 0.000 2.457 52 N HA -0.058 4.682 4.740 -0.000 0.000 0.180 52 N C 0.379 175.825 175.510 -0.107 0.000 1.050 52 N CA 0.821 53.770 53.050 -0.170 0.000 0.906 52 N CB -0.532 37.873 38.487 -0.138 0.000 0.968 52 N HN 0.071 nan 8.380 nan 0.000 0.445 53 N N 0.010 118.649 118.700 -0.100 0.000 2.750 53 N HA 0.201 4.941 4.740 -0.000 0.000 0.253 53 N C -2.353 173.205 175.510 0.081 0.000 1.408 53 N CA -1.708 51.340 53.050 -0.004 0.000 0.780 53 N CB 1.118 39.595 38.487 -0.017 0.000 1.191 53 N HN -0.078 nan 8.380 nan 0.000 0.511 54 P HA -0.027 nan 4.420 nan 0.000 0.230 54 P C 0.640 178.065 177.300 0.208 0.000 1.158 54 P CA 0.962 64.206 63.100 0.240 0.000 0.769 54 P CB 0.031 31.945 31.700 0.357 0.000 0.807 55 T N -6.790 107.866 114.554 0.170 0.000 3.145 55 T HA 0.060 4.410 4.350 -0.000 0.000 0.255 55 T C 0.176 174.976 174.700 0.166 0.000 1.039 55 T CA -0.791 61.398 62.100 0.148 0.000 0.928 55 T CB -0.920 68.032 68.868 0.141 0.000 1.029 55 T HN -0.057 nan 8.240 nan 0.000 0.554 56 W N 2.196 123.469 121.300 -0.045 0.000 2.513 56 W HA 0.124 4.784 4.660 0.000 0.000 0.339 56 W C 0.523 176.914 176.519 -0.215 0.000 1.257 56 W CA -2.094 55.174 57.345 -0.129 0.000 1.280 56 W CB -0.572 28.781 29.460 -0.180 0.000 1.214 56 W HN 0.247 nan 8.180 nan 0.000 0.567 57 F N 4.800 124.556 119.950 -0.324 0.000 2.216 57 F HA -0.196 4.331 4.527 -0.000 0.000 0.300 57 F C 1.816 177.099 175.800 -0.861 0.000 1.085 57 F CA 2.255 59.971 58.000 -0.473 0.000 1.326 57 F CB -0.325 38.571 39.000 -0.172 0.000 1.027 57 F HN 0.443 nan 8.300 nan 0.000 0.497 58 N N 0.241 117.986 118.700 -1.591 0.000 2.251 58 N HA 0.038 4.778 4.740 -0.000 0.000 0.217 58 N C -0.066 174.317 175.510 -1.878 0.000 1.124 58 N CA -0.300 51.832 53.050 -1.531 0.000 0.843 58 N CB -0.111 37.560 38.487 -1.361 0.000 1.024 58 N HN 0.262 nan 8.380 nan 0.000 0.501 59 R N -0.298 119.033 120.500 -1.948 0.000 2.694 59 R HA 0.108 4.448 4.340 -0.000 0.000 0.268 59 R C -0.843 174.940 176.300 -0.862 0.000 1.061 59 R CA -0.197 55.158 56.100 -1.243 0.000 1.133 59 R CB 0.290 30.248 30.300 -0.570 0.000 1.020 59 R HN 0.001 nan 8.270 nan 0.000 0.475 60 D N 1.954 122.119 120.400 -0.392 0.000 2.455 60 D HA 0.068 4.708 4.640 -0.000 0.000 0.241 60 D C 0.050 176.265 176.300 -0.142 0.000 1.138 60 D CA 0.267 54.194 54.000 -0.122 0.000 0.877 60 D CB 0.653 41.560 40.800 0.179 0.000 1.187 60 D HN 0.280 nan 8.370 nan 0.000 0.451 61 R N 1.448 121.910 120.500 -0.062 0.000 2.500 61 R HA 0.539 4.879 4.340 -0.000 0.000 0.277 61 R C -0.462 175.956 176.300 0.197 0.000 1.026 61 R CA -0.675 55.420 56.100 -0.008 0.000 1.058 61 R CB 0.784 31.065 30.300 -0.033 0.000 1.078 61 R HN 0.401 nan 8.270 nan 0.000 0.509 62 F N 0.716 120.683 119.950 0.028 0.000 2.557 62 F HA 0.388 4.915 4.527 0.000 0.000 0.316 62 F C -1.321 174.533 175.800 0.091 0.000 1.141 62 F CA -0.828 57.229 58.000 0.095 0.000 0.922 62 F CB 1.590 40.641 39.000 0.085 0.000 1.194 62 F HN 0.097 nan 8.300 nan 0.000 0.443 63 V N 7.291 126.732 119.914 -0.789 0.000 2.444 63 V HA 0.294 4.414 4.120 -0.000 0.000 0.294 63 V C -0.382 175.199 176.094 -0.856 0.000 1.022 63 V CA -0.800 61.140 62.300 -0.599 0.000 0.850 63 V CB 1.773 33.435 31.823 -0.268 0.000 0.992 63 V HN 0.765 nan 8.190 nan 0.000 0.426 64 L N 4.062 124.946 121.223 -0.565 0.000 2.375 64 L HA 0.236 4.576 4.340 -0.000 0.000 0.276 64 L C 1.511 178.277 176.870 -0.174 0.000 1.162 64 L CA 0.352 55.006 54.840 -0.310 0.000 0.991 64 L CB 1.074 43.093 42.059 -0.066 0.000 1.315 64 L HN 0.879 nan 8.230 nan 0.000 0.431 65 S N 3.261 118.864 115.700 -0.161 0.000 2.383 65 S HA -0.011 4.459 4.470 -0.000 0.000 0.227 65 S C 1.303 175.873 174.600 -0.051 0.000 1.026 65 S CA 0.934 59.080 58.200 -0.090 0.000 0.981 65 S CB 0.097 63.251 63.200 -0.075 0.000 0.818 65 S HN 0.744 nan 8.310 nan 0.000 0.472 66 A N 1.072 123.849 122.820 -0.072 0.000 3.026 66 A HA 0.519 4.839 4.320 -0.000 0.000 0.272 66 A C 1.407 178.829 177.584 -0.269 0.000 1.782 66 A CA 0.217 52.186 52.037 -0.113 0.000 1.451 66 A CB -0.904 18.009 19.000 -0.144 0.000 1.081 66 A HN 0.520 nan 8.150 nan 0.000 0.611 67 G N 1.029 109.798 108.800 -0.052 0.000 2.448 67 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.219 67 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.219 67 G C 1.373 176.271 174.900 -0.003 0.000 1.127 67 G CA 1.149 46.270 45.100 0.036 0.000 0.766 67 G HN 0.989 nan 8.290 nan 0.000 0.552 68 H N 0.115 119.179 119.070 -0.010 0.000 2.456 68 H HA -0.007 4.549 4.556 0.000 0.000 0.296 68 H C 2.176 177.335 175.328 -0.282 0.000 1.079 68 H CA 0.951 56.767 56.048 -0.386 0.000 1.322 68 H CB -0.794 28.520 29.762 -0.748 0.000 1.388 68 H HN 0.212 nan 8.280 nan 0.000 0.538 69 G N 1.999 110.421 108.800 -0.631 0.000 3.340 69 G HA2 0.020 3.980 3.960 -0.000 0.000 0.240 69 G HA3 0.020 3.980 3.960 -0.000 0.000 0.240 69 G C 0.535 175.274 174.900 -0.269 0.000 1.327 69 G CA 0.218 45.112 45.100 -0.342 0.000 1.170 69 G HN 0.642 nan 8.290 nan 0.000 0.520 73 L N 0.287 121.310 121.223 -0.333 0.000 2.027 73 L HA -0.052 4.288 4.340 -0.000 0.000 0.206 73 L C 2.302 179.016 176.870 -0.260 0.000 1.074 73 L CA 2.324 56.960 54.840 -0.339 0.000 0.745 73 L CB -0.868 41.051 42.059 -0.232 0.000 0.898 73 L HN 0.454 nan 8.230 nan 0.000 0.433 74 Y N -0.446 119.761 120.300 -0.156 0.000 2.224 74 Y HA -0.136 4.414 4.550 -0.000 0.000 0.289 74 Y C 2.837 178.657 175.900 -0.133 0.000 1.146 74 Y CA 0.984 59.017 58.100 -0.112 0.000 1.182 74 Y CB -1.416 36.995 38.460 -0.081 0.000 0.983 74 Y HN 0.195 nan 8.280 nan 0.000 0.524 75 S N 0.202 115.868 115.700 -0.057 0.000 2.353 75 S HA -0.175 4.295 4.470 -0.000 0.000 0.222 75 S C 2.218 176.678 174.600 -0.234 0.000 1.035 75 S CA 1.343 59.474 58.200 -0.115 0.000 1.025 75 S CB -0.726 62.368 63.200 -0.177 0.000 0.902 75 S HN 0.350 nan 8.310 nan 0.000 0.440 76 L N 0.985 121.944 121.223 -0.439 0.000 2.042 76 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 76 L C 2.303 178.884 176.870 -0.481 0.000 1.076 76 L CA 1.089 55.471 54.840 -0.763 0.000 0.749 76 L CB -0.585 40.567 42.059 -1.511 0.000 0.893 76 L HN 0.293 nan 8.230 nan 0.000 0.432 77 L N -1.120 119.935 121.223 -0.279 0.000 2.017 77 L HA -0.283 4.057 4.340 -0.000 0.000 0.208 77 L C 2.701 179.673 176.870 0.170 0.000 1.073 77 L CA 1.510 56.350 54.840 0.001 0.000 0.745 77 L CB -0.745 41.300 42.059 -0.023 0.000 0.894 77 L HN 0.325 nan 8.230 nan 0.000 0.432 78 H N 0.311 119.397 119.070 0.026 0.000 2.319 78 H HA -0.164 4.392 4.556 -0.000 0.000 0.299 78 H C 2.131 177.493 175.328 0.055 0.000 1.092 78 H CA 1.780 57.864 56.048 0.061 0.000 1.302 78 H CB -0.167 29.620 29.762 0.043 0.000 1.373 78 H HN 0.146 nan 8.280 nan 0.000 0.497 79 L N -0.516 120.536 121.223 -0.286 0.000 2.191 79 L HA -0.108 4.232 4.340 -0.000 0.000 0.212 79 L C 2.222 178.844 176.870 -0.414 0.000 1.103 79 L CA 1.263 55.797 54.840 -0.509 0.000 0.769 79 L CB -0.212 41.210 42.059 -1.062 0.000 0.908 79 L HN 0.255 nan 8.230 nan 0.000 0.438 80 S N -0.740 114.850 115.700 -0.183 0.000 2.527 80 S HA 0.135 4.605 4.470 -0.000 0.000 0.222 80 S C 1.437 176.138 174.600 0.168 0.000 0.985 80 S CA 0.743 59.069 58.200 0.210 0.000 0.921 80 S CB 0.463 64.073 63.200 0.683 0.000 0.772 80 S HN 0.647 nan 8.310 nan 0.000 0.529 81 G N 0.296 109.143 108.800 0.079 0.000 2.144 81 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 81 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 81 G C -0.030 174.889 174.900 0.030 0.000 0.988 81 G CA -0.419 44.680 45.100 -0.001 0.000 0.659 81 G HN 0.484 nan 8.290 nan 0.000 0.522 82 Y N 0.332 120.668 120.300 0.059 0.000 2.385 82 Y HA 0.342 4.892 4.550 0.000 0.000 0.346 82 Y C 1.278 177.221 175.900 0.071 0.000 1.270 82 Y CA 0.388 58.544 58.100 0.093 0.000 1.472 82 Y CB 0.454 39.016 38.460 0.169 0.000 1.354 82 Y HN 0.082 nan 8.280 nan 0.000 0.611 83 D N 1.281 121.826 120.400 0.242 0.000 2.848 83 D HA 0.104 4.744 4.640 -0.000 0.000 0.232 83 D C -1.351 175.037 176.300 0.147 0.000 1.107 83 D CA 0.339 54.427 54.000 0.146 0.000 1.020 83 D CB -0.665 40.198 40.800 0.104 0.000 1.148 83 D HN 0.158 nan 8.370 nan 0.000 0.453 84 V N 1.999 122.022 119.914 0.183 0.000 2.409 84 V HA 0.299 4.419 4.120 -0.000 0.000 0.290 84 V C 0.780 177.012 176.094 0.229 0.000 1.017 84 V CA -0.747 61.642 62.300 0.148 0.000 0.841 84 V CB 1.413 33.325 31.823 0.148 0.000 1.003 84 V HN 0.401 nan 8.190 nan 0.000 0.426 88 D N 0.811 121.150 120.400 -0.101 0.000 2.104 88 D HA -0.111 4.529 4.640 -0.000 0.000 0.194 88 D C 2.135 178.382 176.300 -0.088 0.000 0.994 88 D CA 0.834 54.781 54.000 -0.090 0.000 0.830 88 D CB -0.048 40.701 40.800 -0.085 0.000 0.959 88 D HN 0.218 nan 8.370 nan 0.000 0.452 89 L N 1.015 122.168 121.223 -0.117 0.000 2.079 89 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 89 L C 2.059 178.933 176.870 0.007 0.000 1.081 89 L CA 1.554 56.366 54.840 -0.047 0.000 0.752 89 L CB -0.580 41.439 42.059 -0.066 0.000 0.896 89 L HN 0.005 nan 8.230 nan 0.000 0.433 90 K N -0.618 119.670 120.400 -0.186 0.000 2.504 90 K HA -0.010 4.310 4.320 -0.000 0.000 0.195 90 K C 0.572 177.144 176.600 -0.047 0.000 1.036 90 K CA 0.374 56.498 56.287 -0.270 0.000 0.984 90 K CB -0.027 32.169 32.500 -0.505 0.000 0.788 90 K HN 0.299 nan 8.250 nan 0.000 0.488 91 N N 0.545 119.248 118.700 0.005 0.000 2.338 91 N HA 0.016 4.756 4.740 -0.000 0.000 0.251 91 N C -0.624 174.949 175.510 0.105 0.000 1.199 91 N CA -0.249 52.826 53.050 0.042 0.000 0.879 91 N CB 0.196 38.683 38.487 -0.001 0.000 1.159 91 N HN 0.032 nan 8.380 nan 0.000 0.514 92 F N 2.499 122.450 119.950 0.002 0.000 2.612 92 F HA -0.063 4.464 4.527 0.000 0.000 0.389 92 F C 1.313 177.144 175.800 0.051 0.000 1.055 92 F CA 0.536 58.557 58.000 0.035 0.000 1.232 92 F CB 0.206 39.264 39.000 0.097 0.000 1.044 92 F HN 0.196 nan 8.300 nan 0.000 0.560 93 R N 1.148 121.405 120.500 -0.406 0.000 3.951 93 R HA -0.204 4.136 4.340 -0.000 0.000 0.352 93 R C -0.480 175.744 176.300 -0.126 0.000 1.178 93 R CA 0.845 56.705 56.100 -0.400 0.000 0.949 93 R CB -1.336 28.594 30.300 -0.617 0.000 1.452 93 R HN 0.617 nan 8.270 nan 0.000 0.540 94 Q N -0.119 119.656 119.800 -0.041 0.000 2.215 94 Q HA 0.167 4.507 4.340 -0.000 0.000 0.256 94 Q C -0.073 175.977 176.000 0.085 0.000 0.972 94 Q CA -0.546 55.286 55.803 0.048 0.000 0.889 94 Q CB 0.609 29.384 28.738 0.062 0.000 1.281 94 Q HN 0.211 nan 8.270 nan 0.000 0.456 95 W N 1.637 122.929 121.300 -0.014 0.000 2.385 95 W HA 0.067 4.727 4.660 -0.000 0.000 0.336 95 W C 0.693 177.214 176.519 0.003 0.000 1.351 95 W CA 2.010 59.354 57.345 -0.002 0.000 1.295 95 W CB 0.149 29.609 29.460 0.000 0.000 1.239 95 W HN 0.919 nan 8.180 nan 0.000 0.565 96 G N 3.552 111.944 108.800 -0.680 0.000 2.168 96 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.263 96 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.263 96 G C 0.373 175.148 174.900 -0.208 0.000 0.977 96 G CA 0.604 45.399 45.100 -0.508 0.000 0.659 96 G HN 1.124 nan 8.290 nan 0.000 0.533 97 S N -0.729 114.892 115.700 -0.133 0.000 2.614 97 S HA 0.531 5.001 4.470 -0.000 0.000 0.265 97 S C 1.086 175.633 174.600 -0.089 0.000 1.303 97 S CA 0.308 58.459 58.200 -0.082 0.000 1.000 97 S CB 1.230 64.401 63.200 -0.050 0.000 0.935 97 S HN 0.318 nan 8.310 nan 0.000 0.551 98 K N 0.538 120.881 120.400 -0.095 0.000 2.458 98 K HA 0.066 4.386 4.320 -0.000 0.000 0.194 98 K C 0.174 176.637 176.600 -0.229 0.000 1.024 98 K CA 0.446 56.669 56.287 -0.106 0.000 1.108 98 K CB -0.193 32.255 32.500 -0.086 0.000 0.846 98 K HN 0.835 nan 8.250 nan 0.000 0.518 99 T N 0.198 114.603 114.554 -0.247 0.000 3.466 99 T HA 0.233 4.583 4.350 -0.000 0.000 0.297 99 T C -2.631 172.055 174.700 -0.024 0.000 1.640 99 T CA -2.014 59.801 62.100 -0.475 0.000 1.631 99 T CB 0.785 69.438 68.868 -0.359 0.000 0.928 99 T HN -0.120 nan 8.240 nan 0.000 0.688 100 P HA 0.187 nan 4.420 nan 0.000 0.272 100 P C 1.421 178.809 177.300 0.147 0.000 1.230 100 P CA -0.071 63.068 63.100 0.065 0.000 0.788 100 P CB 0.630 32.370 31.700 0.067 0.000 0.949 101 G N 0.720 109.484 108.800 -0.060 0.000 2.469 101 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.220 101 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.220 101 G C 0.123 174.929 174.900 -0.157 0.000 1.136 101 G CA 1.098 46.102 45.100 -0.160 0.000 0.759 101 G HN 0.630 nan 8.290 nan 0.000 0.562 102 H N -0.501 118.648 119.070 0.132 0.000 2.679 102 H HA 0.465 5.021 4.556 0.000 0.000 0.367 102 H C -2.455 172.954 175.328 0.135 0.000 1.162 102 H CA -1.949 54.162 56.048 0.104 0.000 1.181 102 H CB 1.830 31.627 29.762 0.060 0.000 1.693 102 H HN -0.086 nan 8.280 nan 0.000 0.538 103 P HA 0.018 nan 4.420 nan 0.000 0.264 103 P C -0.857 176.552 177.300 0.182 0.000 1.193 103 P CA 0.251 63.471 63.100 0.201 0.000 0.763 103 P CB 0.552 32.315 31.700 0.106 0.000 0.810 104 E N 2.230 122.539 120.200 0.182 0.000 2.235 104 E HA 0.136 4.486 4.350 -0.000 0.000 0.252 104 E C -0.826 175.873 176.600 0.166 0.000 0.886 104 E CA -0.876 55.570 56.400 0.077 0.000 0.767 104 E CB 0.840 30.439 29.700 -0.167 0.000 1.205 104 E HN 0.415 nan 8.360 nan 0.000 0.421 105 Y N 2.118 122.471 120.300 0.088 0.000 2.712 105 Y HA 0.176 4.726 4.550 -0.000 0.000 0.333 105 Y C 1.357 177.378 175.900 0.201 0.000 1.225 105 Y CA 1.819 59.996 58.100 0.129 0.000 1.499 105 Y CB 0.562 39.082 38.460 0.100 0.000 1.288 105 Y HN 0.768 nan 8.280 nan 0.000 0.575 106 G N 3.852 112.329 108.800 -0.539 0.000 2.253 106 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.251 106 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.251 106 G C 0.878 175.746 174.900 -0.053 0.000 0.998 106 G CA 0.567 45.418 45.100 -0.416 0.000 0.621 106 G HN 0.832 nan 8.290 nan 0.000 0.524 107 H N -0.047 118.961 119.070 -0.104 0.000 2.740 107 H HA 0.229 4.785 4.556 0.000 0.000 0.265 107 H C 0.106 175.419 175.328 -0.025 0.000 0.978 107 H CA 1.078 57.094 56.048 -0.053 0.000 1.198 107 H CB 1.112 30.858 29.762 -0.028 0.000 1.467 107 H HN 0.348 nan 8.280 nan 0.000 0.511 108 T N 0.965 115.595 114.554 0.127 0.000 2.991 108 T HA 0.420 4.770 4.350 -0.000 0.000 0.303 108 T C -0.317 174.460 174.700 0.127 0.000 1.015 108 T CA -0.696 61.468 62.100 0.107 0.000 1.007 108 T CB 2.324 71.282 68.868 0.150 0.000 1.034 108 T HN 0.267 nan 8.240 nan 0.000 0.446 109 A N 1.548 124.446 122.820 0.129 0.000 2.546 109 A HA 0.516 4.836 4.320 -0.000 0.000 0.243 109 A C 1.609 179.337 177.584 0.240 0.000 1.063 109 A CA 0.814 52.966 52.037 0.192 0.000 0.757 109 A CB -0.860 18.272 19.000 0.220 0.000 0.991 109 A HN 1.957 nan 8.150 nan 0.000 0.503 110 G N 1.006 109.974 108.800 0.280 0.000 2.199 110 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.254 110 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.254 110 G C 0.249 175.257 174.900 0.180 0.000 0.982 110 G CA 0.143 45.373 45.100 0.218 0.000 0.632 110 G HN 1.458 nan 8.290 nan 0.000 0.529 111 V N 1.780 121.827 119.914 0.221 0.000 2.427 111 V HA 0.314 4.434 4.120 -0.000 0.000 0.268 111 V C 0.984 177.263 176.094 0.309 0.000 1.046 111 V CA 0.349 62.805 62.300 0.260 0.000 0.970 111 V CB 1.496 33.481 31.823 0.269 0.000 1.001 111 V HN 0.233 nan 8.190 nan 0.000 0.476 112 D N 3.341 123.894 120.400 0.256 0.000 2.305 112 D HA 0.294 4.934 4.640 -0.000 0.000 0.206 112 D C 0.613 176.975 176.300 0.102 0.000 0.974 112 D CA 0.988 55.106 54.000 0.197 0.000 0.871 112 D CB 0.762 41.628 40.800 0.109 0.000 0.947 112 D HN 0.675 nan 8.370 nan 0.000 0.516 113 A N -0.622 122.269 122.820 0.119 0.000 2.589 113 A HA 0.514 4.834 4.320 -0.000 0.000 0.296 113 A C -0.567 177.083 177.584 0.110 0.000 1.062 113 A CA -0.639 51.418 52.037 0.034 0.000 0.686 113 A CB 1.157 20.134 19.000 -0.038 0.000 1.282 113 A HN -0.115 nan 8.150 nan 0.000 0.404 114 T N 2.579 117.201 114.554 0.115 0.000 2.832 114 T HA 0.573 4.923 4.350 -0.000 0.000 0.296 114 T C 0.634 175.369 174.700 0.058 0.000 0.968 114 T CA 0.752 62.917 62.100 0.108 0.000 1.107 114 T CB 0.439 69.371 68.868 0.106 0.000 0.916 114 T HN 1.114 nan 8.240 nan 0.000 0.517 115 T N -0.423 114.167 114.554 0.060 0.000 2.742 115 T HA 0.845 5.195 4.350 -0.000 0.000 0.282 115 T C 0.825 175.540 174.700 0.025 0.000 1.025 115 T CA -0.063 62.056 62.100 0.031 0.000 1.020 115 T CB 1.856 70.731 68.868 0.011 0.000 1.317 115 T HN 0.749 nan 8.240 nan 0.000 0.538 116 G N 0.258 109.050 108.800 -0.014 0.000 3.330 116 G HA2 0.016 3.976 3.960 -0.000 0.000 0.197 116 G HA3 0.016 3.976 3.960 -0.000 0.000 0.197 116 G C -2.592 172.223 174.900 -0.141 0.000 1.284 116 G CA -0.406 44.581 45.100 -0.187 0.000 0.921 116 G HN 0.864 nan 8.290 nan 0.000 0.466 117 P HA 0.538 nan 4.420 nan 0.000 0.275 117 P C 0.433 177.731 177.300 -0.002 0.000 1.276 117 P CA -0.213 62.873 63.100 -0.024 0.000 0.782 117 P CB 0.694 32.407 31.700 0.020 0.000 0.851 118 L N 2.147 123.368 121.223 -0.004 0.000 2.483 118 L HA 0.185 4.525 4.340 -0.000 0.000 0.275 118 L C 1.846 178.688 176.870 -0.046 0.000 1.220 118 L CA 1.094 55.926 54.840 -0.013 0.000 0.833 118 L CB -0.318 41.732 42.059 -0.016 0.000 1.102 118 L HN 0.765 nan 8.230 nan 0.000 0.490 119 G N 0.530 109.285 108.800 -0.075 0.000 2.417 119 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.233 119 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.233 119 G C 0.937 175.741 174.900 -0.160 0.000 1.103 119 G CA 0.452 45.471 45.100 -0.135 0.000 0.647 119 G HN 0.638 nan 8.290 nan 0.000 0.512 120 Q N 0.630 120.354 119.800 -0.127 0.000 2.230 120 Q HA 0.127 4.467 4.340 -0.000 0.000 0.202 120 Q C 2.803 178.762 176.000 -0.068 0.000 0.963 120 Q CA 1.199 56.935 55.803 -0.112 0.000 0.866 120 Q CB -0.269 28.461 28.738 -0.013 0.000 0.931 120 Q HN 0.635 nan 8.270 nan 0.000 0.452 121 G N 1.567 110.333 108.800 -0.057 0.000 2.459 121 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 121 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 121 G C 1.420 176.287 174.900 -0.055 0.000 1.183 121 G CA 0.690 45.755 45.100 -0.059 0.000 0.776 121 G HN 0.226 nan 8.290 nan 0.000 0.552 122 I N 1.412 121.952 120.570 -0.050 0.000 2.163 122 I HA -0.228 3.942 4.170 -0.000 0.000 0.243 122 I C 3.293 179.411 176.117 0.003 0.000 1.085 122 I CA 1.164 62.458 61.300 -0.010 0.000 1.347 122 I CB -0.211 37.783 38.000 -0.010 0.000 1.044 122 I HN 0.261 nan 8.210 nan 0.000 0.408 123 A N 0.037 122.831 122.820 -0.044 0.000 1.969 123 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 123 A C 2.350 179.929 177.584 -0.009 0.000 1.169 123 A CA 2.220 54.233 52.037 -0.039 0.000 0.635 123 A CB -0.984 17.941 19.000 -0.125 0.000 0.810 123 A HN 0.397 nan 8.150 nan 0.000 0.445 124 T N 0.410 114.953 114.554 -0.018 0.000 2.746 124 T HA -0.040 4.310 4.350 -0.000 0.000 0.267 124 T C 2.229 176.928 174.700 -0.003 0.000 1.039 124 T CA 1.553 63.648 62.100 -0.008 0.000 1.142 124 T CB -0.447 68.408 68.868 -0.022 0.000 0.866 124 T HN 0.594 nan 8.240 nan 0.000 0.444 125 A N 1.021 123.837 122.820 -0.007 0.000 1.933 125 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 125 A C 2.586 180.179 177.584 0.015 0.000 1.175 125 A CA 1.322 53.358 52.037 -0.001 0.000 0.628 125 A CB -1.067 17.933 19.000 -0.001 0.000 0.814 125 A HN 0.355 nan 8.150 nan 0.000 0.444 126 V N 0.177 120.114 119.914 0.039 0.000 2.332 126 V HA -0.122 3.998 4.120 -0.000 0.000 0.248 126 V C 2.036 178.154 176.094 0.040 0.000 1.055 126 V CA 1.186 63.515 62.300 0.047 0.000 1.038 126 V CB -1.591 30.282 31.823 0.083 0.000 0.651 126 V HN 0.638 nan 8.190 nan 0.000 0.450 132 E N 0.763 120.594 120.200 -0.616 0.000 2.070 132 E HA -0.239 4.111 4.350 -0.000 0.000 0.197 132 E C 1.913 178.250 176.600 -0.437 0.000 1.004 132 E CA 1.362 57.386 56.400 -0.627 0.000 0.805 132 E CB -0.170 29.102 29.700 -0.712 0.000 0.744 132 E HN 0.377 nan 8.360 nan 0.000 0.451 133 R N -0.393 119.868 120.500 -0.399 0.000 2.090 133 R HA -0.101 4.239 4.340 -0.000 0.000 0.228 133 R C 2.324 178.532 176.300 -0.154 0.000 1.110 133 R CA 1.336 57.179 56.100 -0.429 0.000 0.973 133 R CB -1.156 28.579 30.300 -0.941 0.000 0.869 133 R HN 0.387 nan 8.270 nan 0.000 0.440 134 H N 0.921 119.893 119.070 -0.165 0.000 2.321 134 H HA -0.001 4.555 4.556 0.000 0.000 0.300 134 H C 1.996 177.202 175.328 -0.204 0.000 1.087 134 H CA 1.736 57.669 56.048 -0.191 0.000 1.319 134 H CB -0.258 28.984 29.762 -0.866 0.000 1.379 134 H HN 0.029 nan 8.280 nan 0.000 0.501 135 L N -0.463 120.608 121.223 -0.254 0.000 2.056 135 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 135 L C 2.850 179.729 176.870 0.015 0.000 1.078 135 L CA 0.969 55.762 54.840 -0.078 0.000 0.749 135 L CB -0.655 41.441 42.059 0.063 0.000 0.901 135 L HN 0.409 nan 8.230 nan 0.000 0.433 136 A N 0.130 122.912 122.820 -0.064 0.000 1.883 136 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 136 A C 2.519 180.079 177.584 -0.040 0.000 1.186 136 A CA 1.994 54.009 52.037 -0.037 0.000 0.624 136 A CB -0.817 18.118 19.000 -0.108 0.000 0.822 136 A HN 0.414 nan 8.150 nan 0.000 0.444 137 A N -0.526 122.253 122.820 -0.068 0.000 1.933 137 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 137 A C 2.134 179.628 177.584 -0.151 0.000 1.175 137 A CA 1.745 53.751 52.037 -0.052 0.000 0.628 137 A CB -0.381 18.643 19.000 0.040 0.000 0.814 137 A HN 0.538 nan 8.150 nan 0.000 0.444 138 K N -2.013 118.205 120.400 -0.303 0.000 2.103 138 K HA -0.082 4.238 4.320 -0.000 0.000 0.204 138 K C 1.539 177.818 176.600 -0.534 0.000 1.052 138 K CA 1.583 57.565 56.287 -0.508 0.000 0.945 138 K CB -0.180 31.828 32.500 -0.820 0.000 0.722 138 K HN 0.659 nan 8.250 nan 0.000 0.443 139 Y N 0.423 120.685 120.300 -0.063 0.000 2.558 139 Y HA 0.129 4.679 4.550 -0.000 0.000 0.273 139 Y C 0.466 176.367 175.900 0.002 0.000 1.100 139 Y CA -0.619 57.486 58.100 0.008 0.000 1.276 139 Y CB 0.017 38.495 38.460 0.030 0.000 1.196 139 Y HN -0.097 nan 8.280 nan 0.000 0.527 140 N N 2.262 121.017 118.700 0.092 0.000 2.458 140 N HA 0.095 4.835 4.740 -0.000 0.000 0.258 140 N C -0.391 175.144 175.510 0.042 0.000 1.219 140 N CA 0.356 53.435 53.050 0.048 0.000 0.902 140 N CB 0.334 38.839 38.487 0.031 0.000 1.076 140 N HN 0.037 nan 8.380 nan 0.000 0.455 141 R N 2.011 122.573 120.500 0.104 0.000 2.574 141 R HA 0.269 4.609 4.340 -0.000 0.000 0.288 141 R C 0.012 176.421 176.300 0.180 0.000 1.004 141 R CA -0.518 55.612 56.100 0.049 0.000 0.895 141 R CB 1.352 31.468 30.300 -0.308 0.000 1.191 141 R HN 0.622 nan 8.270 nan 0.000 0.444 142 D N 1.517 121.981 120.400 0.108 0.000 3.685 142 D HA -0.292 4.348 4.640 -0.000 0.000 0.152 142 D C 0.633 176.926 176.300 -0.013 0.000 0.966 142 D CA 1.872 55.911 54.000 0.065 0.000 1.085 142 D CB -0.753 40.113 40.800 0.109 0.000 0.521 142 D HN 0.588 nan 8.370 nan 0.000 0.543 143 A N -0.198 122.529 122.820 -0.155 0.000 2.278 143 A HA 0.142 4.462 4.320 -0.000 0.000 0.212 143 A C 0.141 177.582 177.584 -0.238 0.000 1.213 143 A CA 0.193 52.107 52.037 -0.205 0.000 0.840 143 A CB -0.378 18.470 19.000 -0.253 0.000 0.866 143 A HN 0.362 nan 8.150 nan 0.000 0.489 144 Y N 2.081 122.438 120.300 0.094 0.000 2.632 144 Y HA 0.155 4.705 4.550 -0.000 0.000 0.336 144 Y C 0.559 176.446 175.900 -0.022 0.000 1.237 144 Y CA -1.595 56.540 58.100 0.059 0.000 1.595 144 Y CB -0.218 38.360 38.460 0.197 0.000 1.508 144 Y HN 0.460 nan 8.280 nan 0.000 0.480 145 N N 2.459 121.219 118.700 0.101 0.000 3.178 145 N HA -0.005 4.735 4.740 -0.000 0.000 0.300 145 N C 0.653 176.235 175.510 0.121 0.000 1.242 145 N CA 0.112 53.212 53.050 0.083 0.000 1.192 145 N CB 0.135 38.670 38.487 0.080 0.000 1.463 145 N HN 0.402 nan 8.380 nan 0.000 0.539 146 I N -0.026 120.563 120.570 0.031 0.000 2.226 146 I HA -0.093 4.077 4.170 -0.000 0.000 0.245 146 I C 0.596 176.946 176.117 0.387 0.000 1.100 146 I CA 0.661 62.014 61.300 0.088 0.000 1.374 146 I CB -0.467 37.345 38.000 -0.314 0.000 1.057 146 I HN 0.161 nan 8.210 nan 0.000 0.413 147 V N 2.751 122.791 119.914 0.210 0.000 2.328 147 V HA 0.367 4.487 4.120 -0.000 0.000 0.278 147 V C -0.602 175.510 176.094 0.029 0.000 1.021 147 V CA -0.434 61.964 62.300 0.164 0.000 0.838 147 V CB 1.569 33.471 31.823 0.131 0.000 0.999 147 V HN 0.224 nan 8.190 nan 0.000 0.447 148 D N 4.249 124.657 120.400 0.014 0.000 2.474 148 D HA 0.304 4.944 4.640 -0.000 0.000 0.234 148 D C -0.804 175.486 176.300 -0.017 0.000 1.323 148 D CA -0.278 53.693 54.000 -0.048 0.000 0.915 148 D CB 0.687 41.521 40.800 0.056 0.000 1.487 148 D HN 0.870 nan 8.370 nan 0.000 0.524 149 H N -0.438 118.533 119.070 -0.165 0.000 2.960 149 H HA 0.621 5.177 4.556 -0.000 0.000 0.323 149 H C -1.676 173.502 175.328 -0.250 0.000 1.326 149 H CA -0.738 55.235 56.048 -0.125 0.000 1.124 149 H CB 0.459 30.076 29.762 -0.242 0.000 1.853 149 H HN -0.010 nan 8.280 nan 0.000 0.536 150 Y N -0.466 119.840 120.300 0.011 0.000 2.534 150 Y HA 0.609 5.159 4.550 -0.000 0.000 0.329 150 Y C 0.053 175.848 175.900 -0.175 0.000 1.154 150 Y CA -0.518 57.444 58.100 -0.230 0.000 1.192 150 Y CB 2.469 40.672 38.460 -0.428 0.000 1.275 150 Y HN 0.772 nan 8.280 nan 0.000 0.491 151 T N 1.897 116.290 114.554 -0.267 0.000 2.847 151 T HA 0.456 4.806 4.350 -0.000 0.000 0.291 151 T C -1.484 173.083 174.700 -0.222 0.000 0.998 151 T CA -0.689 61.325 62.100 -0.143 0.000 0.967 151 T CB 0.008 68.822 68.868 -0.091 0.000 0.954 151 T HN 0.305 nan 8.240 nan 0.000 0.441 152 Y N 1.141 121.530 120.300 0.147 0.000 2.509 152 Y HA 0.769 5.319 4.550 -0.000 0.000 0.341 152 Y C 0.302 176.234 175.900 0.054 0.000 1.038 152 Y CA -1.019 57.186 58.100 0.174 0.000 1.089 152 Y CB 1.874 40.512 38.460 0.298 0.000 1.241 152 Y HN 0.796 nan 8.280 nan 0.000 0.468 153 A N 2.222 125.165 122.820 0.205 0.000 2.572 153 A HA 0.820 5.140 4.320 -0.000 0.000 0.295 153 A C -1.673 175.941 177.584 0.050 0.000 1.072 153 A CA -0.673 51.319 52.037 -0.076 0.000 0.691 153 A CB 1.250 20.213 19.000 -0.063 0.000 1.291 153 A HN 0.691 nan 8.150 nan 0.000 0.404 154 I N 1.130 121.671 120.570 -0.048 0.000 2.433 154 I HA 0.519 4.689 4.170 -0.000 0.000 0.292 154 I C -0.092 176.035 176.117 0.018 0.000 1.001 154 I CA -0.512 60.836 61.300 0.080 0.000 1.119 154 I CB 1.681 39.789 38.000 0.180 0.000 1.289 154 I HN 0.943 nan 8.210 nan 0.000 0.438 155 C N 3.017 122.356 119.300 0.065 0.000 3.154 155 C HA 1.012 5.472 4.460 -0.000 0.000 0.312 155 C C 0.227 175.306 174.990 0.149 0.000 1.349 155 C CA -0.412 58.634 59.018 0.047 0.000 1.518 155 C CB 0.951 28.678 27.740 -0.021 0.000 1.934 155 C HN 0.874 nan 8.230 nan 0.000 0.462 156 G N -0.087 108.796 108.800 0.138 0.000 3.108 156 G HA2 0.480 4.440 3.960 -0.000 0.000 0.268 156 G HA3 0.480 4.440 3.960 -0.000 0.000 0.268 156 G C -0.025 174.979 174.900 0.174 0.000 1.361 156 G CA -0.191 45.053 45.100 0.240 0.000 1.047 156 G HN 0.780 nan 8.290 nan 0.000 0.540 157 D N -0.067 120.457 120.400 0.208 0.000 2.117 157 D HA -0.120 4.520 4.640 -0.000 0.000 0.197 157 D C 2.487 178.651 176.300 -0.228 0.000 0.987 157 D CA 1.653 55.665 54.000 0.020 0.000 0.829 157 D CB -0.391 40.421 40.800 0.021 0.000 0.961 157 D HN 0.437 nan 8.370 nan 0.000 0.460 158 G N 1.461 110.175 108.800 -0.143 0.000 2.469 158 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.219 158 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.219 158 G C 1.358 176.171 174.900 -0.145 0.000 1.150 158 G CA 0.867 45.868 45.100 -0.165 0.000 0.763 158 G HN 0.165 nan 8.290 nan 0.000 0.561 159 D N 0.253 120.598 120.400 -0.093 0.000 2.158 159 D HA -0.046 4.594 4.640 -0.000 0.000 0.197 159 D C 1.609 177.826 176.300 -0.138 0.000 0.995 159 D CA 0.572 54.513 54.000 -0.099 0.000 0.846 159 D CB 0.021 40.773 40.800 -0.081 0.000 0.941 159 D HN 0.256 nan 8.370 nan 0.000 0.456 163 G N 1.071 109.851 108.800 -0.034 0.000 2.450 163 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.220 163 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.220 163 G C 1.267 176.107 174.900 -0.100 0.000 1.130 163 G CA 1.046 46.131 45.100 -0.025 0.000 0.760 163 G HN 0.305 nan 8.290 nan 0.000 0.557 164 V N 1.654 121.422 119.914 -0.244 0.000 2.490 164 V HA -0.161 3.959 4.120 -0.000 0.000 0.250 164 V C 3.096 179.014 176.094 -0.294 0.000 1.061 164 V CA 2.816 64.835 62.300 -0.467 0.000 1.064 164 V CB -0.281 30.761 31.823 -1.302 0.000 0.670 164 V HN 0.557 nan 8.190 nan 0.000 0.461 165 S N 0.233 115.807 115.700 -0.210 0.000 2.406 165 S HA 0.020 4.490 4.470 -0.000 0.000 0.228 165 S C 2.110 176.634 174.600 -0.128 0.000 1.020 165 S CA 1.110 59.228 58.200 -0.137 0.000 0.965 165 S CB -0.421 62.721 63.200 -0.095 0.000 0.798 165 S HN 0.778 nan 8.310 nan 0.000 0.488 166 A N 2.146 124.902 122.820 -0.106 0.000 1.877 166 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 166 A C 2.160 179.605 177.584 -0.231 0.000 1.186 166 A CA 1.532 53.501 52.037 -0.113 0.000 0.620 166 A CB -0.825 18.193 19.000 0.029 0.000 0.822 166 A HN 0.659 nan 8.150 nan 0.000 0.443 167 E N -0.224 119.893 120.200 -0.137 0.000 2.038 167 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 167 E C 2.318 178.840 176.600 -0.131 0.000 1.000 167 E CA 1.151 57.483 56.400 -0.112 0.000 0.803 167 E CB -0.337 29.332 29.700 -0.053 0.000 0.750 167 E HN 0.612 nan 8.360 nan 0.000 0.448 168 A N 0.927 123.679 122.820 -0.113 0.000 1.933 168 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 168 A C 2.320 179.896 177.584 -0.013 0.000 1.175 168 A CA 1.621 53.635 52.037 -0.039 0.000 0.628 168 A CB -0.321 18.664 19.000 -0.024 0.000 0.814 168 A HN 0.118 nan 8.150 nan 0.000 0.444 169 S N -0.590 115.019 115.700 -0.151 0.000 2.387 169 S HA -0.108 4.362 4.470 -0.000 0.000 0.226 169 S C 2.268 176.688 174.600 -0.300 0.000 1.026 169 S CA 1.216 59.346 58.200 -0.117 0.000 0.972 169 S CB -0.312 62.464 63.200 -0.708 0.000 0.814 169 S HN 0.682 nan 8.310 nan 0.000 0.477 170 S N 1.506 116.745 115.700 -0.769 0.000 2.359 170 S HA -0.093 4.377 4.470 -0.000 0.000 0.224 170 S C 1.877 176.434 174.600 -0.072 0.000 1.035 170 S CA 1.160 59.073 58.200 -0.478 0.000 1.018 170 S CB -0.451 62.549 63.200 -0.333 0.000 0.876 170 S HN 0.371 nan 8.310 nan 0.000 0.448 171 L N 1.753 122.957 121.223 -0.032 0.000 2.056 171 L HA 0.153 4.493 4.340 -0.000 0.000 0.207 171 L C 2.479 179.408 176.870 0.099 0.000 1.078 171 L CA 2.105 56.987 54.840 0.069 0.000 0.749 171 L CB -1.170 40.944 42.059 0.091 0.000 0.901 171 L HN 0.323 nan 8.230 nan 0.000 0.433 172 A N -0.497 122.375 122.820 0.086 0.000 1.933 172 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 172 A C 2.429 179.959 177.584 -0.090 0.000 1.175 172 A CA 1.718 53.764 52.037 0.015 0.000 0.628 172 A CB -1.096 17.925 19.000 0.035 0.000 0.814 172 A HN 0.580 nan 8.150 nan 0.000 0.444 173 A N -1.141 121.674 122.820 -0.009 0.000 1.898 173 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 173 A C 2.001 179.588 177.584 0.006 0.000 1.181 173 A CA 1.924 53.937 52.037 -0.041 0.000 0.620 173 A CB -0.827 18.298 19.000 0.209 0.000 0.819 173 A HN 0.727 nan 8.150 nan 0.000 0.442 174 H N -0.070 118.990 119.070 -0.017 0.000 2.387 174 H HA 0.037 4.593 4.556 0.000 0.000 0.299 174 H C 1.456 176.742 175.328 -0.070 0.000 1.090 174 H CA 1.803 57.832 56.048 -0.033 0.000 1.332 174 H CB -0.203 29.547 29.762 -0.020 0.000 1.386 174 H HN 0.362 nan 8.280 nan 0.000 0.516 175 L N 0.180 121.357 121.223 -0.078 0.000 2.599 175 L HA 0.011 4.351 4.340 -0.000 0.000 0.230 175 L C 0.341 177.155 176.870 -0.094 0.000 1.141 175 L CA 0.417 55.183 54.840 -0.123 0.000 0.877 175 L CB -0.138 41.928 42.059 0.011 0.000 1.009 175 L HN 0.366 nan 8.230 nan 0.000 0.447 176 Q N 0.700 120.421 119.800 -0.133 0.000 2.452 176 Q HA -0.191 4.149 4.340 -0.000 0.000 0.318 176 Q C -0.302 175.634 176.000 -0.107 0.000 1.386 176 Q CA 0.303 56.030 55.803 -0.127 0.000 0.872 176 Q CB -1.648 27.019 28.738 -0.118 0.000 1.151 176 Q HN 0.496 nan 8.270 nan 0.000 0.417 177 L N 0.117 121.227 121.223 -0.189 0.000 2.384 177 L HA 0.140 4.480 4.340 -0.000 0.000 0.258 177 L C 1.676 178.368 176.870 -0.297 0.000 1.266 177 L CA 0.296 54.990 54.840 -0.242 0.000 1.162 177 L CB -0.030 41.889 42.059 -0.233 0.000 1.375 177 L HN 0.439 nan 8.230 nan 0.000 0.420 178 G N 1.056 109.712 108.800 -0.240 0.000 2.679 178 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.212 178 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.212 178 G C 1.529 176.296 174.900 -0.221 0.000 1.137 178 G CA 0.013 44.990 45.100 -0.204 0.000 0.787 178 G HN 0.486 nan 8.290 nan 0.000 0.534 179 R N -1.142 119.133 120.500 -0.374 0.000 2.317 179 R HA 0.266 4.606 4.340 -0.000 0.000 0.208 179 R C -0.009 176.061 176.300 -0.383 0.000 0.914 179 R CA -0.416 55.315 56.100 -0.614 0.000 1.060 179 R CB 0.164 29.918 30.300 -0.909 0.000 1.015 179 R HN 0.278 nan 8.270 nan 0.000 0.498 180 L N 0.946 122.002 121.223 -0.278 0.000 2.264 180 L HA 0.336 4.676 4.340 -0.000 0.000 0.289 180 L C -0.948 175.861 176.870 -0.102 0.000 1.044 180 L CA -0.339 54.382 54.840 -0.198 0.000 0.807 180 L CB 1.562 43.495 42.059 -0.209 0.000 1.192 180 L HN -0.266 nan 8.230 nan 0.000 0.425 181 V N 6.106 126.018 119.914 -0.004 0.000 2.482 181 V HA 0.467 4.587 4.120 -0.000 0.000 0.295 181 V C -0.589 175.665 176.094 0.267 0.000 1.026 181 V CA -0.647 61.747 62.300 0.157 0.000 0.856 181 V CB 1.905 33.860 31.823 0.220 0.000 1.001 181 V HN 0.502 nan 8.190 nan 0.000 0.424 182 V N 6.299 126.394 119.914 0.302 0.000 2.417 182 V HA 0.474 4.594 4.120 -0.000 0.000 0.291 182 V C -0.126 176.090 176.094 0.204 0.000 1.024 182 V CA -0.541 61.911 62.300 0.254 0.000 0.861 182 V CB 1.804 33.777 31.823 0.250 0.000 0.985 182 V HN 0.632 nan 8.190 nan 0.000 0.436 183 L N 5.330 126.667 121.223 0.189 0.000 2.265 183 L HA 0.421 4.761 4.340 -0.000 0.000 0.288 183 L C -0.815 176.163 176.870 0.179 0.000 1.058 183 L CA -0.597 54.338 54.840 0.158 0.000 0.809 183 L CB 0.728 42.870 42.059 0.137 0.000 1.179 183 L HN 0.626 nan 8.230 nan 0.000 0.429 184 Y N 3.548 123.845 120.300 -0.005 0.000 2.434 184 Y HA 0.212 4.762 4.550 0.000 0.000 0.341 184 Y C -0.139 175.756 175.900 -0.007 0.000 0.965 184 Y CA -1.878 56.204 58.100 -0.031 0.000 1.205 184 Y CB 0.807 39.213 38.460 -0.091 0.000 1.121 184 Y HN 0.515 nan 8.280 nan 0.000 0.507 185 D N 4.101 124.562 120.400 0.101 0.000 2.367 185 D HA 0.040 4.680 4.640 -0.000 0.000 0.255 185 D C -0.664 175.499 176.300 -0.228 0.000 1.300 185 D CA 0.514 54.481 54.000 -0.054 0.000 0.959 185 D CB 0.334 41.163 40.800 0.048 0.000 1.064 185 D HN 0.388 nan 8.370 nan 0.000 0.509 186 S N 3.306 118.703 115.700 -0.505 0.000 2.466 186 S HA 0.238 4.708 4.470 -0.000 0.000 0.313 186 S C 0.433 174.905 174.600 -0.214 0.000 1.078 186 S CA -0.812 57.022 58.200 -0.611 0.000 1.115 186 S CB -0.228 62.428 63.200 -0.905 0.000 1.006 186 S HN 0.541 nan 8.310 nan 0.000 0.487 187 N N 2.600 121.257 118.700 -0.071 0.000 2.170 187 N HA 0.190 4.930 4.740 -0.000 0.000 0.222 187 N C -0.360 175.167 175.510 0.028 0.000 1.218 187 N CA -0.178 52.867 53.050 -0.009 0.000 0.889 187 N CB 0.158 38.663 38.487 0.029 0.000 1.083 187 N HN 0.410 nan 8.380 nan 0.000 0.520 188 D N -0.918 119.510 120.400 0.047 0.000 3.077 188 D HA -0.160 4.480 4.640 -0.000 0.000 0.212 188 D C -1.044 175.298 176.300 0.070 0.000 1.125 188 D CA 0.799 54.842 54.000 0.071 0.000 0.970 188 D CB -1.202 39.626 40.800 0.047 0.000 1.110 188 D HN 0.377 nan 8.370 nan 0.000 0.419 189 I N 0.397 121.003 120.570 0.061 0.000 2.498 189 I HA 0.368 4.538 4.170 -0.000 0.000 0.290 189 I C 0.540 176.655 176.117 -0.004 0.000 1.032 189 I CA -0.464 60.858 61.300 0.036 0.000 1.073 189 I CB 1.946 39.973 38.000 0.046 0.000 1.251 189 I HN 0.017 nan 8.210 nan 0.000 0.426 190 S N 5.109 120.777 115.700 -0.053 0.000 2.786 190 S HA 0.517 4.987 4.470 -0.000 0.000 0.307 190 S C 0.975 175.427 174.600 -0.247 0.000 1.121 190 S CA -0.730 57.377 58.200 -0.155 0.000 0.975 190 S CB 0.849 63.964 63.200 -0.142 0.000 1.220 190 S HN 0.664 nan 8.310 nan 0.000 0.550 191 L N 0.150 121.134 121.223 -0.398 0.000 2.043 191 L HA -0.114 4.226 4.340 -0.000 0.000 0.212 191 L C 1.184 177.954 176.870 -0.168 0.000 1.075 191 L CA 1.952 56.529 54.840 -0.438 0.000 0.752 191 L CB -0.397 41.430 42.059 -0.387 0.000 0.891 191 L HN 0.685 nan 8.230 nan 0.000 0.432 192 D N -0.327 120.005 120.400 -0.113 0.000 2.340 192 D HA 0.233 4.873 4.640 -0.000 0.000 0.220 192 D C 0.850 177.131 176.300 -0.032 0.000 1.039 192 D CA 0.944 54.912 54.000 -0.054 0.000 0.866 192 D CB 0.704 41.479 40.800 -0.042 0.000 0.913 192 D HN 0.591 nan 8.370 nan 0.000 0.523 193 G N -0.030 108.748 108.800 -0.036 0.000 2.247 193 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.229 193 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.229 193 G C -1.411 173.489 174.900 -0.001 0.000 1.345 193 G CA -0.903 44.191 45.100 -0.010 0.000 1.100 193 G HN -0.029 nan 8.290 nan 0.000 0.473 194 D N 0.874 121.282 120.400 0.014 0.000 2.487 194 D HA 0.252 4.892 4.640 -0.000 0.000 0.243 194 D C 1.648 177.973 176.300 0.042 0.000 1.154 194 D CA -0.319 53.698 54.000 0.029 0.000 0.876 194 D CB 1.377 42.194 40.800 0.028 0.000 1.161 194 D HN 0.347 nan 8.370 nan 0.000 0.478 195 L N 3.916 125.179 121.223 0.066 0.000 2.081 195 L HA -0.263 4.077 4.340 -0.000 0.000 0.212 195 L C 1.773 178.730 176.870 0.145 0.000 1.080 195 L CA 1.670 56.582 54.840 0.120 0.000 0.754 195 L CB -0.693 41.482 42.059 0.194 0.000 0.893 195 L HN 0.505 nan 8.230 nan 0.000 0.433 196 N N -1.050 117.708 118.700 0.098 0.000 2.635 196 N HA -0.181 4.559 4.740 -0.000 0.000 0.191 196 N C 1.366 176.910 175.510 0.057 0.000 1.155 196 N CA 0.751 53.843 53.050 0.071 0.000 0.927 196 N CB -0.472 38.039 38.487 0.040 0.000 0.976 196 N HN 0.323 nan 8.380 nan 0.000 0.448 197 R N -0.284 120.249 120.500 0.055 0.000 2.236 197 R HA 0.082 4.422 4.340 -0.000 0.000 0.208 197 R C 0.796 177.127 176.300 0.052 0.000 1.036 197 R CA 1.149 57.273 56.100 0.040 0.000 1.001 197 R CB -0.147 30.169 30.300 0.026 0.000 0.896 197 R HN 0.598 nan 8.270 nan 0.000 0.464 198 S N -2.095 113.658 115.700 0.088 0.000 2.800 198 S HA 0.204 4.674 4.470 -0.000 0.000 0.266 198 S C -0.038 174.691 174.600 0.216 0.000 1.029 198 S CA -0.700 57.564 58.200 0.107 0.000 1.302 198 S CB 0.209 63.450 63.200 0.068 0.000 1.212 198 S HN 0.176 nan 8.310 nan 0.000 0.683 199 F N 2.872 122.823 119.950 0.002 0.000 2.671 199 F HA 0.562 5.089 4.527 -0.000 0.000 0.332 199 F C 0.170 175.976 175.800 0.011 0.000 1.189 199 F CA -0.231 57.773 58.000 0.007 0.000 0.988 199 F CB 1.857 40.865 39.000 0.013 0.000 1.258 199 F HN 0.181 nan 8.300 nan 0.000 0.471 200 S N 1.660 117.197 115.700 -0.273 0.000 2.893 200 S HA 0.115 4.585 4.470 -0.000 0.000 0.258 200 S C -0.103 174.298 174.600 -0.330 0.000 1.034 200 S CA -0.546 57.503 58.200 -0.252 0.000 1.167 200 S CB -0.314 62.824 63.200 -0.104 0.000 1.137 200 S HN 0.723 nan 8.310 nan 0.000 0.650 201 E N 1.466 121.359 120.200 -0.513 0.000 2.409 201 E HA 0.336 4.686 4.350 -0.000 0.000 0.257 201 E C -0.332 176.084 176.600 -0.307 0.000 1.150 201 E CA -0.473 55.714 56.400 -0.355 0.000 0.942 201 E CB 0.422 29.924 29.700 -0.330 0.000 0.979 201 E HN 0.078 nan 8.360 nan 0.000 0.447 202 S N 1.516 117.113 115.700 -0.172 0.000 2.411 202 S HA 0.097 4.567 4.470 -0.000 0.000 0.304 202 S C 0.770 175.332 174.600 -0.064 0.000 1.098 202 S CA -0.717 57.421 58.200 -0.103 0.000 1.068 202 S CB 0.354 63.516 63.200 -0.063 0.000 1.032 202 S HN 0.482 nan 8.310 nan 0.000 0.511 203 V N 5.299 125.199 119.914 -0.024 0.000 2.343 203 V HA -0.146 3.974 4.120 -0.000 0.000 0.247 203 V C 2.542 178.694 176.094 0.096 0.000 1.051 203 V CA 2.286 64.624 62.300 0.064 0.000 1.036 203 V CB -0.764 31.118 31.823 0.099 0.000 0.654 203 V HN 0.963 nan 8.190 nan 0.000 0.451 204 E N 0.242 120.485 120.200 0.071 0.000 2.085 204 E HA -0.302 4.048 4.350 -0.000 0.000 0.194 204 E C 1.749 178.391 176.600 0.070 0.000 0.994 204 E CA 1.931 58.378 56.400 0.078 0.000 0.801 204 E CB -0.165 29.571 29.700 0.060 0.000 0.743 204 E HN 0.589 nan 8.360 nan 0.000 0.453 205 D N -0.156 120.255 120.400 0.019 0.000 2.183 205 D HA -0.126 4.514 4.640 -0.000 0.000 0.203 205 D C 1.993 178.253 176.300 -0.067 0.000 0.969 205 D CA 0.812 54.804 54.000 -0.014 0.000 0.842 205 D CB -0.260 40.519 40.800 -0.034 0.000 0.957 205 D HN 0.204 nan 8.370 nan 0.000 0.484 206 R N -0.475 119.968 120.500 -0.095 0.000 2.073 206 R HA -0.171 4.169 4.340 -0.000 0.000 0.234 206 R C 2.056 178.087 176.300 -0.449 0.000 1.134 206 R CA 1.162 57.087 56.100 -0.290 0.000 0.952 206 R CB -0.368 29.784 30.300 -0.247 0.000 0.850 206 R HN 0.140 nan 8.270 nan 0.000 0.433 207 Y N 0.880 121.027 120.300 -0.255 0.000 2.224 207 Y HA -0.130 4.420 4.550 0.000 0.000 0.289 207 Y C 2.174 178.103 175.900 0.047 0.000 1.146 207 Y CA 1.697 59.712 58.100 -0.141 0.000 1.182 207 Y CB 0.000 38.350 38.460 -0.183 0.000 0.983 207 Y HN 0.063 nan 8.280 nan 0.000 0.524 208 K N -0.469 120.019 120.400 0.147 0.000 2.097 208 K HA -0.163 4.157 4.320 -0.000 0.000 0.206 208 K C 2.326 178.967 176.600 0.068 0.000 1.049 208 K CA 1.069 57.437 56.287 0.134 0.000 0.933 208 K CB -0.333 32.219 32.500 0.087 0.000 0.717 208 K HN 0.274 nan 8.250 nan 0.000 0.442 209 A N 0.588 123.373 122.820 -0.059 0.000 1.933 209 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 209 A C 1.742 179.308 177.584 -0.030 0.000 1.175 209 A CA 1.237 53.215 52.037 -0.098 0.000 0.628 209 A CB -0.619 18.252 19.000 -0.215 0.000 0.814 209 A HN 0.236 nan 8.150 nan 0.000 0.444 210 Y N -0.894 119.413 120.300 0.012 0.000 2.242 210 Y HA 0.188 4.738 4.550 -0.000 0.000 0.291 210 Y C 2.075 178.075 175.900 0.166 0.000 1.137 210 Y CA 0.720 58.858 58.100 0.063 0.000 1.181 210 Y CB -0.410 38.068 38.460 0.031 0.000 0.989 210 Y HN 0.486 nan 8.280 nan 0.000 0.527 211 G N -3.154 105.871 108.800 0.375 0.000 2.148 211 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.120 211 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.120 211 G C -0.567 174.513 174.900 0.300 0.000 1.034 211 G CA -0.754 44.502 45.100 0.260 0.000 0.710 211 G HN 0.099 nan 8.290 nan 0.000 0.495 212 W N 1.138 122.532 121.300 0.156 0.000 2.303 212 W HA 0.639 5.299 4.660 -0.000 0.000 0.334 212 W C 0.804 177.405 176.519 0.136 0.000 1.197 212 W CA -0.585 56.866 57.345 0.176 0.000 1.262 212 W CB 0.705 30.359 29.460 0.324 0.000 1.153 212 W HN 0.250 nan 8.180 nan 0.000 0.596 213 Q N 1.650 121.628 119.800 0.297 0.000 2.304 213 Q HA 0.390 4.730 4.340 -0.000 0.000 0.260 213 Q C -1.196 174.968 176.000 0.273 0.000 0.965 213 Q CA 0.007 55.940 55.803 0.215 0.000 0.898 213 Q CB 0.778 29.592 28.738 0.128 0.000 1.196 213 Q HN 0.365 nan 8.270 nan 0.000 0.402 214 V N 6.365 126.401 119.914 0.203 0.000 2.487 214 V HA 0.494 4.614 4.120 -0.000 0.000 0.298 214 V C -0.369 175.792 176.094 0.112 0.000 1.028 214 V CA -0.631 61.773 62.300 0.174 0.000 0.860 214 V CB 1.654 33.573 31.823 0.161 0.000 0.991 214 V HN 0.724 nan 8.190 nan 0.000 0.427 215 I N 4.416 125.043 120.570 0.095 0.000 2.466 215 I HA 0.563 4.733 4.170 -0.000 0.000 0.289 215 I C -0.098 176.046 176.117 0.044 0.000 1.026 215 I CA -0.615 60.721 61.300 0.061 0.000 1.078 215 I CB 2.071 40.101 38.000 0.050 0.000 1.249 215 I HN 0.525 nan 8.210 nan 0.000 0.429 216 R N 5.123 125.640 120.500 0.028 0.000 2.312 216 R HA 0.662 5.002 4.340 -0.000 0.000 0.311 216 R C -1.464 174.835 176.300 -0.003 0.000 1.004 216 R CA -0.472 55.634 56.100 0.010 0.000 0.902 216 R CB 1.507 31.812 30.300 0.008 0.000 1.073 216 R HN 0.458 nan 8.270 nan 0.000 0.457 217 V N 5.366 125.269 119.914 -0.019 0.000 2.334 217 V HA 0.127 4.247 4.120 -0.000 0.000 0.281 217 V C 0.650 176.722 176.094 -0.037 0.000 1.016 217 V CA -0.512 61.773 62.300 -0.025 0.000 0.832 217 V CB 1.407 33.212 31.823 -0.030 0.000 0.999 217 V HN 0.896 nan 8.190 nan 0.000 0.439 218 E N 2.094 122.277 120.200 -0.028 0.000 2.150 218 E HA -0.091 4.259 4.350 -0.000 0.000 0.193 218 E C 0.482 177.058 176.600 -0.040 0.000 0.985 218 E CA 0.888 57.270 56.400 -0.030 0.000 0.814 218 E CB 0.288 29.978 29.700 -0.017 0.000 0.752 218 E HN 0.742 nan 8.360 nan 0.000 0.466 219 D N -0.542 119.832 120.400 -0.044 0.000 2.454 219 D HA 0.181 4.821 4.640 -0.000 0.000 0.247 219 D C 0.946 177.196 176.300 -0.083 0.000 1.129 219 D CA -0.430 53.534 54.000 -0.060 0.000 0.877 219 D CB 1.041 41.813 40.800 -0.047 0.000 1.082 219 D HN -0.023 nan 8.370 nan 0.000 0.537 220 G N 3.215 111.950 108.800 -0.109 0.000 2.501 220 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.220 220 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.220 220 G C 1.178 175.982 174.900 -0.160 0.000 1.114 220 G CA 0.187 45.214 45.100 -0.123 0.000 0.757 220 G HN 0.435 nan 8.290 nan 0.000 0.559 221 N N 0.452 119.026 118.700 -0.210 0.000 2.412 221 N HA 0.013 4.753 4.740 -0.000 0.000 0.184 221 N C -0.038 175.396 175.510 -0.126 0.000 1.101 221 N CA 0.142 53.047 53.050 -0.240 0.000 0.881 221 N CB 0.288 38.549 38.487 -0.377 0.000 0.969 221 N HN 0.181 nan 8.380 nan 0.000 0.459 222 D N 1.371 121.723 120.400 -0.080 0.000 2.422 222 D HA 0.055 4.695 4.640 -0.000 0.000 0.227 222 D C 1.562 177.856 176.300 -0.009 0.000 1.190 222 D CA -0.348 53.632 54.000 -0.033 0.000 0.905 222 D CB 0.246 41.033 40.800 -0.022 0.000 1.034 222 D HN 0.237 nan 8.370 nan 0.000 0.507 223 I N 0.263 120.839 120.570 0.010 0.000 2.676 223 I HA -0.058 4.112 4.170 -0.000 0.000 0.259 223 I C 1.281 177.441 176.117 0.072 0.000 1.194 223 I CA 0.554 61.885 61.300 0.052 0.000 1.473 223 I CB 0.003 38.059 38.000 0.093 0.000 1.096 223 I HN 0.142 nan 8.210 nan 0.000 0.443 224 E N 2.012 122.246 120.200 0.057 0.000 2.106 224 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 224 E C 2.449 179.082 176.600 0.054 0.000 0.984 224 E CA 1.248 57.686 56.400 0.063 0.000 0.806 224 E CB -0.137 29.593 29.700 0.049 0.000 0.750 224 E HN 0.684 nan 8.360 nan 0.000 0.458 225 A N 1.066 123.905 122.820 0.032 0.000 1.930 225 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 225 A C 2.146 179.736 177.584 0.011 0.000 1.175 225 A CA 0.899 52.947 52.037 0.019 0.000 0.627 225 A CB -0.475 18.528 19.000 0.005 0.000 0.815 225 A HN 0.112 nan 8.150 nan 0.000 0.443 226 I N -0.038 120.539 120.570 0.012 0.000 2.226 226 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 226 I C 2.920 179.021 176.117 -0.027 0.000 1.100 226 I CA 1.070 62.365 61.300 -0.009 0.000 1.374 226 I CB -0.311 37.691 38.000 0.003 0.000 1.057 226 I HN 0.323 nan 8.210 nan 0.000 0.413 227 A N 0.813 123.675 122.820 0.069 0.000 1.902 227 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 227 A C 2.329 179.964 177.584 0.086 0.000 1.181 227 A CA 1.617 53.764 52.037 0.185 0.000 0.623 227 A CB -0.455 18.768 19.000 0.373 0.000 0.818 227 A HN 0.329 nan 8.150 nan 0.000 0.443 228 K N -0.337 120.103 120.400 0.066 0.000 2.097 228 K HA -0.075 4.245 4.320 -0.000 0.000 0.206 228 K C 2.300 178.891 176.600 -0.015 0.000 1.049 228 K CA 1.089 57.403 56.287 0.045 0.000 0.933 228 K CB -0.316 32.209 32.500 0.041 0.000 0.717 228 K HN 0.456 nan 8.250 nan 0.000 0.442 229 A N 1.536 124.327 122.820 -0.048 0.000 1.898 229 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 229 A C 2.113 179.621 177.584 -0.126 0.000 1.181 229 A CA 1.227 53.228 52.037 -0.059 0.000 0.620 229 A CB -0.543 18.431 19.000 -0.042 0.000 0.819 229 A HN 0.165 nan 8.150 nan 0.000 0.442 230 I N -0.621 119.771 120.570 -0.297 0.000 2.286 230 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 230 I C 2.548 178.427 176.117 -0.397 0.000 1.115 230 I CA 1.728 62.729 61.300 -0.499 0.000 1.392 230 I CB -0.323 36.991 38.000 -1.142 0.000 1.065 230 I HN 0.526 nan 8.210 nan 0.000 0.418 231 E N 1.166 121.204 120.200 -0.270 0.000 2.077 231 E HA -0.291 4.059 4.350 -0.000 0.000 0.193 231 E C 2.131 178.738 176.600 0.011 0.000 0.989 231 E CA 1.349 57.764 56.400 0.024 0.000 0.800 231 E CB -0.001 29.803 29.700 0.173 0.000 0.746 231 E HN 0.445 nan 8.360 nan 0.000 0.452 232 E N -0.205 119.993 120.200 -0.004 0.000 2.110 232 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 232 E C 1.896 178.507 176.600 0.019 0.000 0.988 232 E CA 0.935 57.344 56.400 0.015 0.000 0.804 232 E CB -0.106 29.604 29.700 0.016 0.000 0.745 232 E HN 0.343 nan 8.360 nan 0.000 0.458 233 A N 1.422 124.243 122.820 0.001 0.000 1.877 233 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 233 A C 2.017 179.636 177.584 0.057 0.000 1.186 233 A CA 1.728 53.785 52.037 0.033 0.000 0.620 233 A CB -0.363 18.657 19.000 0.035 0.000 0.822 233 A HN 0.136 nan 8.150 nan 0.000 0.443 234 K N -0.335 120.081 120.400 0.028 0.000 2.148 234 K HA -0.020 4.300 4.320 -0.000 0.000 0.204 234 K C 2.184 178.845 176.600 0.102 0.000 1.050 234 K CA 0.970 57.290 56.287 0.056 0.000 0.942 234 K CB -0.297 32.143 32.500 -0.100 0.000 0.724 234 K HN 0.446 nan 8.250 nan 0.000 0.446 235 A N 1.613 124.472 122.820 0.065 0.000 2.015 235 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 235 A C 0.956 178.573 177.584 0.054 0.000 1.163 235 A CA 0.918 52.991 52.037 0.061 0.000 0.646 235 A CB -0.172 18.857 19.000 0.048 0.000 0.806 235 A HN 0.195 nan 8.150 nan 0.000 0.448 236 D N 0.106 120.537 120.400 0.051 0.000 2.339 236 D HA 0.207 4.847 4.640 -0.000 0.000 0.241 236 D C 0.391 176.706 176.300 0.024 0.000 1.183 236 D CA -0.070 53.950 54.000 0.033 0.000 0.859 236 D CB 0.710 41.528 40.800 0.029 0.000 1.067 236 D HN 0.433 nan 8.370 nan 0.000 0.484 237 E N 2.123 122.329 120.200 0.010 0.000 2.447 237 E HA 0.030 4.380 4.350 -0.000 0.000 0.195 237 E C 1.034 177.608 176.600 -0.043 0.000 1.028 237 E CA 0.263 56.656 56.400 -0.011 0.000 0.876 237 E CB 0.682 30.381 29.700 -0.002 0.000 0.885 237 E HN 0.393 nan 8.360 nan 0.000 0.500 238 K N 0.302 120.676 120.400 -0.043 0.000 2.354 238 K HA 0.168 4.488 4.320 -0.000 0.000 0.194 238 K C 0.332 176.877 176.600 -0.093 0.000 1.038 238 K CA 0.206 56.456 56.287 -0.061 0.000 1.052 238 K CB 0.658 33.127 32.500 -0.051 0.000 0.861 238 K HN -0.113 nan 8.250 nan 0.000 0.535 239 R N 1.371 121.812 120.500 -0.099 0.000 2.621 239 R HA 0.286 4.626 4.340 -0.000 0.000 0.292 239 R C -2.777 173.375 176.300 -0.246 0.000 0.969 239 R CA -2.224 53.783 56.100 -0.155 0.000 0.887 239 R CB 1.553 31.817 30.300 -0.060 0.000 1.180 239 R HN -0.097 nan 8.270 nan 0.000 0.450 240 P HA 0.006 nan 4.420 nan 0.000 0.269 240 P C -0.707 176.335 177.300 -0.431 0.000 1.209 240 P CA -0.017 62.635 63.100 -0.747 0.000 0.776 240 P CB 0.797 31.520 31.700 -1.629 0.000 0.876 241 T N 2.749 117.249 114.554 -0.090 0.000 2.829 241 T HA 0.453 4.803 4.350 -0.000 0.000 0.280 241 T C -0.364 174.657 174.700 0.534 0.000 0.999 241 T CA -0.395 61.859 62.100 0.257 0.000 0.983 241 T CB 0.929 69.886 68.868 0.149 0.000 0.968 241 T HN 0.236 nan 8.240 nan 0.000 0.446 242 L N 4.209 125.751 121.223 0.532 0.000 2.305 242 L HA 0.619 4.959 4.340 -0.000 0.000 0.284 242 L C -1.104 175.861 176.870 0.159 0.000 1.013 242 L CA -0.496 54.498 54.840 0.256 0.000 0.819 242 L CB 0.605 42.614 42.059 -0.084 0.000 1.227 242 L HN 0.636 nan 8.230 nan 0.000 0.417 243 I N 4.740 125.392 120.570 0.136 0.000 2.330 243 I HA 0.282 4.452 4.170 -0.000 0.000 0.286 243 I C 0.002 176.172 176.117 0.087 0.000 1.025 243 I CA -0.417 60.938 61.300 0.092 0.000 1.197 243 I CB 1.241 39.280 38.000 0.066 0.000 1.358 243 I HN 0.628 nan 8.210 nan 0.000 0.467 244 E N 6.602 126.842 120.200 0.067 0.000 2.129 244 E HA 0.275 4.625 4.350 -0.000 0.000 0.283 244 E C -1.155 175.391 176.600 -0.090 0.000 1.080 244 E CA -0.457 55.941 56.400 -0.004 0.000 0.867 244 E CB 0.952 30.666 29.700 0.023 0.000 1.056 244 E HN 0.370 nan 8.360 nan 0.000 0.404 245 V N 6.627 126.454 119.914 -0.146 0.000 2.333 245 V HA 0.272 4.392 4.120 -0.000 0.000 0.274 245 V C 0.140 176.132 176.094 -0.170 0.000 1.028 245 V CA -0.847 61.381 62.300 -0.119 0.000 0.851 245 V CB 1.032 32.811 31.823 -0.074 0.000 1.000 245 V HN 0.609 nan 8.190 nan 0.000 0.456 246 R N 3.727 124.147 120.500 -0.132 0.000 2.248 246 R HA 0.371 4.711 4.340 -0.000 0.000 0.337 246 R C 0.446 176.688 176.300 -0.097 0.000 1.085 246 R CA -0.039 55.988 56.100 -0.123 0.000 0.934 246 R CB 0.699 30.948 30.300 -0.085 0.000 1.034 246 R HN 0.882 nan 8.270 nan 0.000 0.465 247 T N -1.556 112.943 114.554 -0.091 0.000 2.927 247 T HA 0.461 4.811 4.350 -0.000 0.000 0.286 247 T C 0.063 174.755 174.700 -0.014 0.000 1.040 247 T CA -0.701 61.357 62.100 -0.069 0.000 1.010 247 T CB 1.931 70.762 68.868 -0.061 0.000 1.177 247 T HN 0.246 nan 8.240 nan 0.000 0.546 248 T N 2.010 116.584 114.554 0.032 0.000 2.743 248 T HA 0.421 4.771 4.350 -0.000 0.000 0.292 248 T C 0.312 175.097 174.700 0.141 0.000 0.972 248 T CA -0.561 61.607 62.100 0.113 0.000 0.967 248 T CB 0.268 69.268 68.868 0.220 0.000 0.926 248 T HN 0.681 nan 8.240 nan 0.000 0.459 249 I N 2.806 123.441 120.570 0.109 0.000 2.775 249 I HA 0.254 4.424 4.170 -0.000 0.000 0.290 249 I C 1.264 177.458 176.117 0.129 0.000 1.203 249 I CA 1.080 62.450 61.300 0.118 0.000 1.433 249 I CB 0.175 38.244 38.000 0.115 0.000 1.354 249 I HN 0.969 nan 8.210 nan 0.000 0.579 250 G N 6.192 115.070 108.800 0.130 0.000 2.258 250 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.274 250 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.274 250 G C 0.215 175.187 174.900 0.121 0.000 1.021 250 G CA 0.288 45.451 45.100 0.106 0.000 0.798 250 G HN 0.745 nan 8.290 nan 0.000 0.507 251 F N 0.609 120.592 119.950 0.054 0.000 2.623 251 F HA 0.336 4.863 4.527 -0.000 0.000 0.386 251 F C 1.516 177.394 175.800 0.130 0.000 1.068 251 F CA 1.747 59.790 58.000 0.071 0.000 1.265 251 F CB 0.376 39.416 39.000 0.066 0.000 1.026 251 F HN 1.075 nan 8.300 nan 0.000 0.568 252 G N 3.005 111.293 108.800 -0.853 0.000 2.284 252 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 252 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 252 G C 0.364 174.944 174.900 -0.533 0.000 1.009 252 G CA 0.040 44.675 45.100 -0.775 0.000 0.625 252 G HN 1.111 nan 8.290 nan 0.000 0.501 253 S N 2.355 117.865 115.700 -0.315 0.000 2.422 253 S HA 0.547 5.017 4.470 -0.000 0.000 0.283 253 S C -0.269 174.226 174.600 -0.174 0.000 1.163 253 S CA -0.449 57.621 58.200 -0.218 0.000 1.054 253 S CB 1.351 64.478 63.200 -0.121 0.000 0.967 253 S HN 0.107 nan 8.310 nan 0.000 0.499 254 P HA -0.086 nan 4.420 nan 0.000 0.216 254 P C 0.686 177.938 177.300 -0.079 0.000 1.153 254 P CA 1.287 64.314 63.100 -0.122 0.000 0.858 254 P CB 0.123 31.758 31.700 -0.109 0.000 0.789 255 N N -1.852 116.807 118.700 -0.069 0.000 2.282 255 N HA 0.073 4.813 4.740 -0.000 0.000 0.185 255 N C 1.207 176.699 175.510 -0.030 0.000 1.099 255 N CA 0.443 53.466 53.050 -0.044 0.000 0.878 255 N CB 0.410 38.873 38.487 -0.039 0.000 0.993 255 N HN 0.250 nan 8.380 nan 0.000 0.481 256 K N 0.707 121.087 120.400 -0.033 0.000 2.435 256 K HA 0.120 4.440 4.320 -0.000 0.000 0.199 256 K C 0.374 176.977 176.600 0.004 0.000 1.153 256 K CA -0.062 56.218 56.287 -0.011 0.000 0.974 256 K CB 0.725 33.218 32.500 -0.011 0.000 0.997 256 K HN 0.010 nan 8.250 nan 0.000 0.547 257 S N 0.371 116.064 115.700 -0.010 0.000 2.558 257 S HA 0.138 4.608 4.470 -0.000 0.000 0.293 257 S C 1.166 175.787 174.600 0.035 0.000 1.292 257 S CA 0.456 58.666 58.200 0.017 0.000 1.063 257 S CB 0.518 63.712 63.200 -0.010 0.000 0.831 257 S HN 0.523 nan 8.310 nan 0.000 0.499 258 G N 1.991 110.827 108.800 0.059 0.000 2.155 258 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.257 258 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.257 258 G C -0.164 174.762 174.900 0.044 0.000 0.983 258 G CA 0.679 45.811 45.100 0.055 0.000 0.676 258 G HN 0.882 nan 8.290 nan 0.000 0.528 259 K N -0.332 120.095 120.400 0.045 0.000 2.375 259 K HA 0.568 4.888 4.320 -0.000 0.000 0.249 259 K C 1.494 178.127 176.600 0.055 0.000 0.942 259 K CA -0.143 56.168 56.287 0.039 0.000 0.806 259 K CB 1.585 34.102 32.500 0.027 0.000 1.227 259 K HN 0.222 nan 8.250 nan 0.000 0.430 260 S N 0.348 116.076 115.700 0.045 0.000 2.469 260 S HA -0.174 4.296 4.470 -0.000 0.000 0.238 260 S C 1.874 176.525 174.600 0.086 0.000 0.998 260 S CA 1.014 59.248 58.200 0.057 0.000 0.957 260 S CB -0.353 62.853 63.200 0.010 0.000 0.764 260 S HN 0.658 nan 8.310 nan 0.000 0.514 261 A N 2.183 125.037 122.820 0.057 0.000 2.024 261 A HA -0.073 4.247 4.320 -0.000 0.000 0.220 261 A C 2.439 180.057 177.584 0.057 0.000 1.164 261 A CA 1.874 53.940 52.037 0.048 0.000 0.643 261 A CB -1.047 17.968 19.000 0.025 0.000 0.806 261 A HN 0.885 nan 8.150 nan 0.000 0.451 262 S N -1.697 114.046 115.700 0.072 0.000 2.558 262 S HA -0.055 4.415 4.470 -0.000 0.000 0.217 262 S C 1.703 176.367 174.600 0.107 0.000 0.975 262 S CA 0.599 58.840 58.200 0.068 0.000 0.912 262 S CB -0.675 62.559 63.200 0.058 0.000 0.776 262 S HN 0.744 nan 8.310 nan 0.000 0.526 263 H N 2.070 121.176 119.070 0.060 0.000 2.270 263 H HA 0.028 4.584 4.556 0.000 0.000 0.299 263 H C 1.534 176.960 175.328 0.164 0.000 1.077 263 H CA 1.919 58.028 56.048 0.101 0.000 1.294 263 H CB -0.511 29.284 29.762 0.055 0.000 1.371 263 H HN 0.550 nan 8.280 nan 0.000 0.491 264 G N -0.112 108.688 108.800 -0.001 0.000 4.110 264 G HA2 0.268 4.228 3.960 -0.000 0.000 0.292 264 G HA3 0.268 4.228 3.960 -0.000 0.000 0.292 264 G C -0.801 173.936 174.900 -0.273 0.000 1.020 264 G CA -0.131 44.827 45.100 -0.237 0.000 0.808 264 G HN 0.284 nan 8.290 nan 0.000 0.474 265 S N 0.309 115.929 115.700 -0.133 0.000 2.595 265 S HA 0.651 5.121 4.470 -0.000 0.000 0.281 265 S C -2.940 171.623 174.600 -0.062 0.000 1.117 265 S CA -0.965 57.177 58.200 -0.096 0.000 0.873 265 S CB 2.709 65.884 63.200 -0.041 0.000 1.108 265 S HN -0.058 nan 8.310 nan 0.000 0.477 266 P HA 0.158 nan 4.420 nan 0.000 0.267 266 P C 0.760 178.047 177.300 -0.022 0.000 1.200 266 P CA -0.114 62.974 63.100 -0.019 0.000 0.772 266 P CB 0.362 32.060 31.700 -0.003 0.000 0.855 267 L N 1.131 122.338 121.223 -0.027 0.000 2.043 267 L HA -0.075 4.265 4.340 -0.000 0.000 0.212 267 L C 1.275 178.127 176.870 -0.030 0.000 1.075 267 L CA 1.824 56.645 54.840 -0.032 0.000 0.752 267 L CB -1.110 40.920 42.059 -0.049 0.000 0.891 267 L HN 0.766 nan 8.230 nan 0.000 0.432 268 G N -2.258 106.527 108.800 -0.026 0.000 2.587 268 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.686 268 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.686 268 G C 0.078 174.963 174.900 -0.025 0.000 1.236 268 G CA -0.515 44.572 45.100 -0.020 0.000 0.820 268 G HN -0.213 nan 8.290 nan 0.000 0.645 269 V N 0.859 120.763 119.914 -0.017 0.000 2.255 269 V HA -0.150 3.970 4.120 -0.000 0.000 0.247 269 V C 2.764 178.844 176.094 -0.024 0.000 1.051 269 V CA 2.831 65.121 62.300 -0.016 0.000 1.018 269 V CB -0.477 31.343 31.823 -0.005 0.000 0.641 269 V HN 0.772 nan 8.190 nan 0.000 0.445 270 E N -0.289 119.897 120.200 -0.023 0.000 2.077 270 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 270 E C 2.208 178.782 176.600 -0.044 0.000 0.989 270 E CA 1.350 57.732 56.400 -0.029 0.000 0.800 270 E CB -0.247 29.438 29.700 -0.024 0.000 0.746 270 E HN 0.625 nan 8.360 nan 0.000 0.452 271 E N 0.377 120.548 120.200 -0.048 0.000 2.106 271 E HA -0.096 4.254 4.350 -0.000 0.000 0.192 271 E C 1.930 178.476 176.600 -0.089 0.000 0.984 271 E CA 1.386 57.745 56.400 -0.067 0.000 0.806 271 E CB -0.222 29.443 29.700 -0.058 0.000 0.750 271 E HN 0.091 nan 8.360 nan 0.000 0.458 272 T N 0.538 115.046 114.554 -0.077 0.000 2.746 272 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 272 T C 1.620 176.264 174.700 -0.092 0.000 1.039 272 T CA 1.585 63.630 62.100 -0.092 0.000 1.142 272 T CB -0.140 68.683 68.868 -0.075 0.000 0.866 272 T HN 0.188 nan 8.240 nan 0.000 0.444 273 K N 0.724 121.087 120.400 -0.063 0.000 2.026 273 K HA 0.023 4.343 4.320 -0.000 0.000 0.208 273 K C 2.263 178.819 176.600 -0.075 0.000 1.048 273 K CA 1.088 57.347 56.287 -0.045 0.000 0.929 273 K CB -0.404 32.080 32.500 -0.027 0.000 0.713 273 K HN 0.273 nan 8.250 nan 0.000 0.439 274 L N 0.731 121.897 121.223 -0.094 0.000 2.079 274 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 274 L C 2.431 179.179 176.870 -0.203 0.000 1.081 274 L CA 1.318 56.086 54.840 -0.120 0.000 0.752 274 L CB -0.850 41.144 42.059 -0.107 0.000 0.896 274 L HN 0.260 nan 8.230 nan 0.000 0.433 275 T N -0.537 113.861 114.554 -0.260 0.000 2.737 275 T HA -0.178 4.172 4.350 -0.000 0.000 0.265 275 T C 1.923 176.252 174.700 -0.617 0.000 1.038 275 T CA 1.221 63.032 62.100 -0.481 0.000 1.144 275 T CB -0.096 68.522 68.868 -0.417 0.000 0.866 275 T HN 0.267 nan 8.240 nan 0.000 0.434 276 K N 0.921 121.142 120.400 -0.298 0.000 2.147 276 K HA -0.096 4.224 4.320 -0.000 0.000 0.205 276 K C 2.407 179.018 176.600 0.018 0.000 1.049 276 K CA 1.187 57.434 56.287 -0.067 0.000 0.936 276 K CB -0.092 32.467 32.500 0.097 0.000 0.722 276 K HN 0.483 nan 8.250 nan 0.000 0.446 277 E N 0.477 120.643 120.200 -0.056 0.000 2.110 277 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 277 E C 2.042 178.604 176.600 -0.064 0.000 0.988 277 E CA 1.036 57.416 56.400 -0.032 0.000 0.804 277 E CB -0.106 29.564 29.700 -0.050 0.000 0.745 277 E HN 0.330 nan 8.360 nan 0.000 0.458 278 A N 0.695 123.396 122.820 -0.199 0.000 1.933 278 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 278 A C 1.690 179.224 177.584 -0.084 0.000 1.175 278 A CA 1.058 52.958 52.037 -0.229 0.000 0.628 278 A CB -0.796 17.948 19.000 -0.428 0.000 0.814 278 A HN 0.354 nan 8.150 nan 0.000 0.444 279 Y N -1.236 119.066 120.300 0.004 0.000 2.578 279 Y HA 0.260 4.810 4.550 -0.000 0.000 0.297 279 Y C 1.625 177.601 175.900 0.128 0.000 1.176 279 Y CA 0.064 58.205 58.100 0.067 0.000 1.315 279 Y CB -0.123 38.385 38.460 0.080 0.000 1.031 279 Y HN 0.451 nan 8.280 nan 0.000 0.524 280 A N 0.136 123.090 122.820 0.224 0.000 2.822 280 A HA -0.254 4.066 4.320 -0.000 0.000 0.287 280 A C 0.108 177.822 177.584 0.217 0.000 1.479 280 A CA 0.572 52.710 52.037 0.169 0.000 0.779 280 A CB -2.131 16.948 19.000 0.133 0.000 1.022 280 A HN 0.710 nan 8.150 nan 0.000 0.532 281 W N 1.448 122.800 121.300 0.086 0.000 2.387 281 W HA 0.429 5.089 4.660 0.000 0.000 0.310 281 W C 0.765 177.304 176.519 0.034 0.000 1.181 281 W CA 0.508 57.901 57.345 0.080 0.000 1.333 281 W CB 0.840 30.381 29.460 0.136 0.000 1.286 281 W HN 0.746 nan 8.180 nan 0.000 0.455 282 T N 2.100 116.484 114.554 -0.283 0.000 3.054 282 T HA 0.304 4.654 4.350 -0.000 0.000 0.255 282 T C 0.784 175.298 174.700 -0.310 0.000 1.035 282 T CA -0.155 61.823 62.100 -0.203 0.000 0.941 282 T CB 0.156 68.938 68.868 -0.143 0.000 1.026 282 T HN 0.433 nan 8.240 nan 0.000 0.533 283 A N 2.568 125.018 122.820 -0.616 0.000 2.545 283 A HA 0.247 4.567 4.320 -0.000 0.000 0.253 283 A C 1.352 178.844 177.584 -0.153 0.000 1.074 283 A CA -0.182 51.553 52.037 -0.502 0.000 0.760 283 A CB 0.025 18.649 19.000 -0.626 0.000 1.005 283 A HN 0.713 nan 8.150 nan 0.000 0.506 284 E N 2.081 122.195 120.200 -0.143 0.000 2.371 284 E HA -0.053 4.297 4.350 -0.000 0.000 0.194 284 E C 0.154 176.764 176.600 0.018 0.000 1.012 284 E CA 0.464 56.840 56.400 -0.040 0.000 0.860 284 E CB 0.018 29.687 29.700 -0.052 0.000 0.811 284 E HN 0.829 nan 8.360 nan 0.000 0.502 285 Q N 1.398 121.214 119.800 0.026 0.000 2.274 285 Q HA 0.205 4.545 4.340 -0.000 0.000 0.260 285 Q C -0.950 175.168 176.000 0.197 0.000 0.974 285 Q CA -0.988 54.879 55.803 0.107 0.000 0.876 285 Q CB 1.594 30.398 28.738 0.110 0.000 1.297 285 Q HN 0.050 nan 8.270 nan 0.000 0.446 286 D N 0.914 121.431 120.400 0.196 0.000 2.382 286 D HA 0.059 4.699 4.640 -0.000 0.000 0.240 286 D C -0.181 176.313 176.300 0.323 0.000 1.146 286 D CA 0.265 54.360 54.000 0.158 0.000 0.897 286 D CB 0.272 41.146 40.800 0.124 0.000 1.197 286 D HN 0.491 nan 8.370 nan 0.000 0.432 287 F N -0.893 119.147 119.950 0.150 0.000 3.071 287 F HA -0.255 4.272 4.527 -0.000 0.000 0.295 287 F C 0.357 176.276 175.800 0.199 0.000 0.919 287 F CA 0.219 58.289 58.000 0.118 0.000 1.050 287 F CB -2.104 36.934 39.000 0.063 0.000 1.040 287 F HN 0.416 nan 8.300 nan 0.000 0.692 288 H N 0.021 119.276 119.070 0.309 0.000 2.473 288 H HA 0.721 5.277 4.556 -0.000 0.000 0.327 288 H C -0.920 174.584 175.328 0.294 0.000 1.105 288 H CA -0.595 55.627 56.048 0.289 0.000 1.280 288 H CB 1.180 31.089 29.762 0.245 0.000 1.450 288 H HN -0.021 nan 8.280 nan 0.000 0.492 289 V N 4.467 124.058 119.914 -0.538 0.000 2.569 289 V HA 0.530 4.650 4.120 -0.000 0.000 0.301 289 V C 0.060 175.773 176.094 -0.635 0.000 1.044 289 V CA -0.668 61.321 62.300 -0.519 0.000 0.874 289 V CB 1.279 32.833 31.823 -0.448 0.000 1.002 289 V HN 1.110 nan 8.190 nan 0.000 0.424 290 A N 2.522 125.057 122.820 -0.474 0.000 2.407 290 A HA 0.437 4.757 4.320 -0.000 0.000 0.248 290 A C 1.208 178.769 177.584 -0.039 0.000 1.082 290 A CA 0.068 52.012 52.037 -0.155 0.000 0.785 290 A CB 0.401 19.384 19.000 -0.027 0.000 1.020 290 A HN 0.992 nan 8.150 nan 0.000 0.489 291 E N 1.023 121.278 120.200 0.093 0.000 2.160 291 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 291 E C 1.695 178.385 176.600 0.150 0.000 0.991 291 E CA 2.181 58.696 56.400 0.190 0.000 0.810 291 E CB -0.191 29.598 29.700 0.149 0.000 0.742 291 E HN 0.859 nan 8.360 nan 0.000 0.466 292 E N -0.595 119.656 120.200 0.085 0.000 2.204 292 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 292 E C 1.965 178.615 176.600 0.082 0.000 0.989 292 E CA 1.203 57.648 56.400 0.075 0.000 0.824 292 E CB -0.182 29.547 29.700 0.048 0.000 0.756 292 E HN 0.150 nan 8.360 nan 0.000 0.477 293 V N 0.727 120.673 119.914 0.054 0.000 2.323 293 V HA -0.242 3.878 4.120 -0.000 0.000 0.244 293 V C 1.952 178.182 176.094 0.226 0.000 1.041 293 V CA 1.712 64.068 62.300 0.092 0.000 1.025 293 V CB -0.753 31.077 31.823 0.011 0.000 0.656 293 V HN 0.228 nan 8.190 nan 0.000 0.451 294 Y N 0.710 121.123 120.300 0.188 0.000 2.151 294 Y HA -0.266 4.284 4.550 -0.000 0.000 0.284 294 Y C 2.576 178.580 175.900 0.173 0.000 1.166 294 Y CA 1.934 60.134 58.100 0.166 0.000 1.163 294 Y CB -0.595 37.901 38.460 0.059 0.000 0.974 294 Y HN 0.289 nan 8.280 nan 0.000 0.511 295 E N 0.294 120.655 120.200 0.269 0.000 2.110 295 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 295 E C 2.072 178.751 176.600 0.131 0.000 0.988 295 E CA 1.212 57.710 56.400 0.164 0.000 0.804 295 E CB -0.423 29.343 29.700 0.110 0.000 0.745 295 E HN 0.480 nan 8.360 nan 0.000 0.458 296 N N -0.952 117.820 118.700 0.121 0.000 2.069 296 N HA -0.181 4.559 4.740 -0.000 0.000 0.191 296 N C 1.589 177.080 175.510 -0.031 0.000 1.031 296 N CA 1.264 54.323 53.050 0.015 0.000 0.852 296 N CB -0.187 38.275 38.487 -0.042 0.000 1.018 296 N HN 0.156 nan 8.380 nan 0.000 0.423 297 F N 1.416 121.439 119.950 0.121 0.000 2.186 297 F HA 0.001 4.528 4.527 -0.000 0.000 0.299 297 F C 2.814 178.656 175.800 0.070 0.000 1.090 297 F CA 0.816 58.889 58.000 0.121 0.000 1.307 297 F CB -0.411 38.688 39.000 0.166 0.000 1.019 297 F HN 0.025 nan 8.300 nan 0.000 0.489 298 R N 1.056 121.698 120.500 0.236 0.000 2.083 298 R HA -0.190 4.150 4.340 -0.000 0.000 0.237 298 R C 2.049 178.378 176.300 0.049 0.000 1.137 298 R CA 1.819 57.987 56.100 0.114 0.000 0.951 298 R CB -0.192 30.161 30.300 0.089 0.000 0.851 298 R HN 0.227 nan 8.270 nan 0.000 0.434 299 K N -0.652 119.771 120.400 0.038 0.000 2.057 299 K HA -0.074 4.246 4.320 -0.000 0.000 0.206 299 K C 2.054 178.637 176.600 -0.028 0.000 1.050 299 K CA 1.903 58.189 56.287 -0.002 0.000 0.935 299 K CB -0.064 32.434 32.500 -0.004 0.000 0.715 299 K HN 0.405 nan 8.250 nan 0.000 0.439 300 T N -2.293 112.238 114.554 -0.039 0.000 3.067 300 T HA 0.070 4.420 4.350 -0.000 0.000 0.257 300 T C 1.752 176.408 174.700 -0.073 0.000 1.105 300 T CA 0.286 62.338 62.100 -0.080 0.000 1.104 300 T CB 0.232 69.013 68.868 -0.144 0.000 0.925 300 T HN -0.097 nan 8.240 nan 0.000 0.498 301 V N 0.428 120.323 119.914 -0.032 0.000 3.001 301 V HA 0.123 4.243 4.120 -0.000 0.000 0.228 301 V C 2.682 178.685 176.094 -0.151 0.000 1.204 301 V CA 0.285 62.522 62.300 -0.104 0.000 1.247 301 V CB -0.409 31.428 31.823 0.024 0.000 1.093 301 V HN 0.230 nan 8.190 nan 0.000 0.504 302 Q N 0.393 120.147 119.800 -0.076 0.000 2.050 302 Q HA -0.216 4.124 4.340 -0.000 0.000 0.202 302 Q C 1.901 177.837 176.000 -0.105 0.000 0.980 302 Q CA 1.981 57.719 55.803 -0.108 0.000 0.840 302 Q CB -0.167 28.535 28.738 -0.061 0.000 0.898 302 Q HN 0.581 nan 8.270 nan 0.000 0.424 303 D N -0.013 120.345 120.400 -0.071 0.000 2.103 303 D HA -0.103 4.537 4.640 -0.000 0.000 0.199 303 D C 2.070 178.326 176.300 -0.074 0.000 0.978 303 D CA 0.804 54.765 54.000 -0.065 0.000 0.829 303 D CB -0.259 40.515 40.800 -0.043 0.000 0.981 303 D HN 0.002 nan 8.370 nan 0.000 0.464 304 V N 1.060 120.931 119.914 -0.072 0.000 2.282 304 V HA -0.222 3.898 4.120 -0.000 0.000 0.249 304 V C 2.474 178.527 176.094 -0.069 0.000 1.057 304 V CA 2.205 64.467 62.300 -0.064 0.000 1.032 304 V CB -1.003 30.780 31.823 -0.065 0.000 0.645 304 V HN 0.276 nan 8.190 nan 0.000 0.447 305 G N -1.488 107.246 108.800 -0.110 0.000 2.403 305 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.216 305 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.216 305 G C 1.490 176.264 174.900 -0.209 0.000 1.154 305 G CA 0.641 45.670 45.100 -0.118 0.000 0.784 305 G HN 0.527 nan 8.290 nan 0.000 0.538 306 E N -0.132 119.956 120.200 -0.186 0.000 2.058 306 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 306 E C 2.752 179.245 176.600 -0.177 0.000 0.997 306 E CA 1.571 57.855 56.400 -0.193 0.000 0.801 306 E CB -0.101 29.518 29.700 -0.135 0.000 0.746 306 E HN 0.332 nan 8.360 nan 0.000 0.450 307 T N 0.521 115.005 114.554 -0.117 0.000 2.684 307 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 307 T C 1.866 176.525 174.700 -0.067 0.000 1.036 307 T CA 1.323 63.378 62.100 -0.075 0.000 1.148 307 T CB -0.243 68.600 68.868 -0.042 0.000 0.863 307 T HN 0.268 nan 8.240 nan 0.000 0.436 308 A N 0.929 123.708 122.820 -0.069 0.000 1.902 308 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 308 A C 2.242 179.737 177.584 -0.148 0.000 1.181 308 A CA 1.806 53.851 52.037 0.013 0.000 0.623 308 A CB -0.701 18.399 19.000 0.167 0.000 0.818 308 A HN 0.550 nan 8.150 nan 0.000 0.443 309 Q N -0.769 118.661 119.800 -0.616 0.000 2.167 309 Q HA -0.072 4.268 4.340 -0.000 0.000 0.202 309 Q C 2.164 178.003 176.000 -0.268 0.000 0.970 309 Q CA 1.253 56.484 55.803 -0.954 0.000 0.855 309 Q CB -0.286 27.659 28.738 -1.321 0.000 0.911 309 Q HN 0.635 nan 8.270 nan 0.000 0.438 310 A N 0.756 123.474 122.820 -0.171 0.000 1.898 310 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 310 A C 1.750 179.348 177.584 0.023 0.000 1.181 310 A CA 1.516 53.517 52.037 -0.059 0.000 0.620 310 A CB -0.442 18.520 19.000 -0.063 0.000 0.819 310 A HN 0.471 nan 8.150 nan 0.000 0.442 311 E N -1.650 118.581 120.200 0.053 0.000 2.077 311 E HA -0.245 4.105 4.350 -0.000 0.000 0.193 311 E C 1.749 178.454 176.600 0.176 0.000 0.989 311 E CA 1.312 57.773 56.400 0.102 0.000 0.800 311 E CB -0.253 29.515 29.700 0.114 0.000 0.746 311 E HN 0.845 nan 8.360 nan 0.000 0.452 312 W N 2.359 123.702 121.300 0.071 0.000 2.358 312 W HA -0.174 4.486 4.660 -0.000 0.000 0.303 312 W C 1.779 178.367 176.519 0.115 0.000 1.208 312 W CA 1.471 58.913 57.345 0.162 0.000 1.274 312 W CB -0.190 29.485 29.460 0.358 0.000 1.138 312 W HN -0.023 nan 8.180 nan 0.000 0.515 313 N N -0.072 118.727 118.700 0.165 0.000 2.104 313 N HA -0.115 4.625 4.740 -0.000 0.000 0.190 313 N C 0.951 176.403 175.510 -0.096 0.000 1.024 313 N CA 1.713 54.749 53.050 -0.024 0.000 0.853 313 N CB -1.173 37.343 38.487 0.048 0.000 1.008 313 N HN 0.058 nan 8.380 nan 0.000 0.424 317 G N -0.012 108.717 108.800 -0.119 0.000 2.421 317 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.216 317 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.216 317 G C 1.174 176.037 174.900 -0.062 0.000 1.171 317 G CA 1.120 46.178 45.100 -0.070 0.000 0.775 317 G HN 0.504 nan 8.290 nan 0.000 0.543 318 E N -0.688 119.486 120.200 -0.044 0.000 2.051 318 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 318 E C 2.087 178.552 176.600 -0.226 0.000 0.991 318 E CA 0.925 57.297 56.400 -0.048 0.000 0.799 318 E CB -0.334 29.425 29.700 0.098 0.000 0.748 318 E HN 0.491 nan 8.360 nan 0.000 0.449 319 Y N 0.877 120.858 120.300 -0.531 0.000 2.114 319 Y HA -0.301 4.249 4.550 -0.000 0.000 0.282 319 Y C 2.016 177.745 175.900 -0.285 0.000 1.165 319 Y CA 2.037 59.720 58.100 -0.694 0.000 1.148 319 Y CB -0.629 37.554 38.460 -0.461 0.000 0.972 319 Y HN 0.130 nan 8.280 nan 0.000 0.504 320 A N 0.030 122.753 122.820 -0.161 0.000 1.972 320 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 320 A C 2.087 179.548 177.584 -0.205 0.000 1.169 320 A CA 1.821 53.744 52.037 -0.190 0.000 0.635 320 A CB -0.653 18.302 19.000 -0.075 0.000 0.810 320 A HN 0.721 nan 8.150 nan 0.000 0.446 321 Q N -0.871 118.816 119.800 -0.188 0.000 2.123 321 Q HA -0.015 4.325 4.340 -0.000 0.000 0.199 321 Q C 2.327 178.182 176.000 -0.241 0.000 0.966 321 Q CA 1.245 56.947 55.803 -0.168 0.000 0.845 321 Q CB -0.274 28.392 28.738 -0.119 0.000 0.907 321 Q HN 0.690 nan 8.270 nan 0.000 0.439 322 A N -0.209 122.403 122.820 -0.346 0.000 1.975 322 A HA -0.035 4.285 4.320 -0.000 0.000 0.215 322 A C 0.256 177.338 177.584 -0.837 0.000 1.170 322 A CA 0.693 52.400 52.037 -0.550 0.000 0.656 322 A CB 0.139 18.811 19.000 -0.548 0.000 0.821 322 A HN 0.354 nan 8.150 nan 0.000 0.449 323 Y N -0.795 119.252 120.300 -0.421 0.000 2.511 323 Y HA 0.277 4.827 4.550 0.000 0.000 0.356 323 Y C -1.940 173.737 175.900 -0.372 0.000 1.002 323 Y CA -1.926 55.920 58.100 -0.422 0.000 1.127 323 Y CB 1.059 39.133 38.460 -0.643 0.000 1.137 323 Y HN 0.201 nan 8.280 nan 0.000 0.652 324 P HA -0.201 nan 4.420 nan 0.000 0.216 324 P C 1.395 178.666 177.300 -0.049 0.000 1.153 324 P CA 1.430 64.467 63.100 -0.105 0.000 0.844 324 P CB 0.594 32.241 31.700 -0.089 0.000 0.787 325 E N -0.438 119.750 120.200 -0.021 0.000 2.023 325 E HA -0.190 4.160 4.350 -0.000 0.000 0.196 325 E C 2.015 178.647 176.600 0.052 0.000 1.003 325 E CA 0.958 57.368 56.400 0.016 0.000 0.809 325 E CB -0.470 29.245 29.700 0.025 0.000 0.755 325 E HN -0.098 nan 8.360 nan 0.000 0.449 326 L N 0.976 122.242 121.223 0.070 0.000 2.013 326 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 326 L C 2.471 179.457 176.870 0.194 0.000 1.073 326 L CA 2.214 57.157 54.840 0.172 0.000 0.753 326 L CB -1.338 40.807 42.059 0.144 0.000 0.890 326 L HN 0.282 nan 8.230 nan 0.000 0.432 327 A N -0.827 122.028 122.820 0.059 0.000 1.933 327 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 327 A C 2.074 179.676 177.584 0.031 0.000 1.175 327 A CA 1.714 53.809 52.037 0.098 0.000 0.628 327 A CB -0.576 18.435 19.000 0.020 0.000 0.814 327 A HN 0.526 nan 8.150 nan 0.000 0.444 328 N N -0.189 118.521 118.700 0.017 0.000 2.166 328 N HA -0.161 4.579 4.740 -0.000 0.000 0.186 328 N C 1.713 177.233 175.510 0.017 0.000 1.019 328 N CA 1.469 54.524 53.050 0.008 0.000 0.856 328 N CB -0.408 38.083 38.487 0.007 0.000 0.993 328 N HN 0.767 nan 8.380 nan 0.000 0.426 329 E N 0.357 120.593 120.200 0.060 0.000 2.077 329 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 329 E C 1.894 178.512 176.600 0.030 0.000 0.989 329 E CA 0.627 57.083 56.400 0.094 0.000 0.800 329 E CB -0.041 29.778 29.700 0.197 0.000 0.746 329 E HN 0.110 nan 8.360 nan 0.000 0.452 330 L N 1.326 122.494 121.223 -0.092 0.000 2.017 330 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 330 L C 2.411 179.119 176.870 -0.271 0.000 1.073 330 L CA 1.908 56.493 54.840 -0.425 0.000 0.745 330 L CB -0.679 40.985 42.059 -0.659 0.000 0.894 330 L HN 0.115 nan 8.230 nan 0.000 0.432 331 Q N -0.497 119.211 119.800 -0.153 0.000 2.096 331 Q HA -0.158 4.182 4.340 -0.000 0.000 0.204 331 Q C 2.201 178.145 176.000 -0.093 0.000 0.982 331 Q CA 2.224 57.958 55.803 -0.116 0.000 0.850 331 Q CB -0.444 28.261 28.738 -0.056 0.000 0.901 331 Q HN 0.656 nan 8.270 nan 0.000 0.422 332 A N 0.256 123.042 122.820 -0.056 0.000 1.902 332 A HA 0.130 4.450 4.320 -0.000 0.000 0.217 332 A C 1.382 178.943 177.584 -0.039 0.000 1.181 332 A CA 1.093 53.112 52.037 -0.029 0.000 0.623 332 A CB -1.188 17.811 19.000 -0.002 0.000 0.818 332 A HN 0.482 nan 8.150 nan 0.000 0.443 336 G N 1.603 110.413 108.800 0.017 0.000 2.160 336 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.251 336 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.251 336 G C -0.120 174.788 174.900 0.014 0.000 1.008 336 G CA 0.539 45.657 45.100 0.030 0.000 0.724 336 G HN 0.251 nan 8.290 nan 0.000 0.514 337 L N 0.004 121.230 121.223 0.004 0.000 2.326 337 L HA 0.570 4.910 4.340 -0.000 0.000 0.278 337 L C 1.038 177.893 176.870 -0.026 0.000 1.092 337 L CA -0.840 54.003 54.840 0.004 0.000 0.810 337 L CB 1.058 43.126 42.059 0.015 0.000 1.153 337 L HN 0.013 nan 8.230 nan 0.000 0.439 338 L N 3.823 125.018 121.223 -0.047 0.000 2.334 338 L HA 0.403 4.743 4.340 -0.000 0.000 0.277 338 L C -1.942 174.939 176.870 0.019 0.000 1.075 338 L CA -1.902 52.846 54.840 -0.154 0.000 0.804 338 L CB 0.830 42.642 42.059 -0.411 0.000 1.174 338 L HN 0.352 nan 8.230 nan 0.000 0.438 339 P HA 0.005 nan 4.420 nan 0.000 0.265 339 P C -0.593 176.850 177.300 0.238 0.000 1.193 339 P CA -0.316 62.860 63.100 0.126 0.000 0.765 339 P CB 0.437 32.204 31.700 0.111 0.000 0.823 340 E N 2.206 122.491 120.200 0.142 0.000 2.558 340 E HA 0.223 4.573 4.350 -0.000 0.000 0.255 340 E C 1.342 177.988 176.600 0.077 0.000 0.968 340 E CA 1.571 58.035 56.400 0.106 0.000 0.939 340 E CB -0.748 28.984 29.700 0.054 0.000 0.921 340 E HN 0.711 nan 8.360 nan 0.000 0.477 341 G N 4.891 113.696 108.800 0.008 0.000 2.159 341 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.256 341 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.256 341 G C 0.873 175.700 174.900 -0.122 0.000 0.977 341 G CA 0.507 45.553 45.100 -0.090 0.000 0.652 341 G HN 0.755 nan 8.290 nan 0.000 0.531 342 W N 1.526 122.789 121.300 -0.062 0.000 2.350 342 W HA -0.095 4.565 4.660 -0.000 0.000 0.289 342 W C 1.580 178.042 176.519 -0.094 0.000 1.215 342 W CA 1.612 58.911 57.345 -0.076 0.000 1.236 342 W CB -0.758 28.654 29.460 -0.079 0.000 1.130 342 W HN 0.525 nan 8.180 nan 0.000 0.541 343 E N 1.105 120.543 120.200 -1.269 0.000 2.347 343 E HA -0.208 4.142 4.350 -0.000 0.000 0.196 343 E C 1.643 177.916 176.600 -0.545 0.000 1.008 343 E CA 0.901 56.565 56.400 -1.227 0.000 0.852 343 E CB -0.741 28.086 29.700 -1.456 0.000 0.783 343 E HN 0.269 nan 8.360 nan 0.000 0.505 344 Q N 0.954 120.530 119.800 -0.372 0.000 2.234 344 Q HA -0.119 4.221 4.340 -0.000 0.000 0.206 344 Q C 1.464 177.366 176.000 -0.163 0.000 0.980 344 Q CA 1.272 56.941 55.803 -0.223 0.000 0.869 344 Q CB -0.640 28.005 28.738 -0.155 0.000 0.912 344 Q HN 0.311 nan 8.270 nan 0.000 0.436 345 N N -0.011 118.600 118.700 -0.148 0.000 2.515 345 N HA 0.007 4.747 4.740 -0.000 0.000 0.185 345 N C -0.020 175.436 175.510 -0.090 0.000 1.109 345 N CA 0.103 53.100 53.050 -0.088 0.000 0.903 345 N CB 0.121 38.586 38.487 -0.036 0.000 0.969 345 N HN 0.155 nan 8.380 nan 0.000 0.450 346 L N 1.477 122.625 121.223 -0.125 0.000 2.436 346 L HA 0.290 4.630 4.340 -0.000 0.000 0.265 346 L C -1.582 175.243 176.870 -0.074 0.000 1.168 346 L CA -1.642 53.144 54.840 -0.089 0.000 0.815 346 L CB 0.178 42.174 42.059 -0.105 0.000 1.109 346 L HN 0.096 nan 8.230 nan 0.000 0.462 347 P HA 0.215 nan 4.420 nan 0.000 0.274 347 P C -0.885 176.370 177.300 -0.076 0.000 1.246 347 P CA -0.348 62.693 63.100 -0.099 0.000 0.795 347 P CB 0.889 32.518 31.700 -0.118 0.000 1.006 348 T N 0.732 115.177 114.554 -0.181 0.000 2.921 348 T HA 0.396 4.746 4.350 -0.000 0.000 0.297 348 T C -1.036 173.514 174.700 -0.250 0.000 1.013 348 T CA -0.155 61.891 62.100 -0.091 0.000 0.990 348 T CB 0.494 69.324 68.868 -0.063 0.000 1.023 348 T HN 0.139 nan 8.240 nan 0.000 0.447 349 Y N 1.972 122.279 120.300 0.012 0.000 2.328 349 Y HA 0.393 4.943 4.550 0.000 0.000 0.337 349 Y C 0.956 176.865 175.900 0.014 0.000 1.008 349 Y CA -0.952 57.157 58.100 0.015 0.000 1.129 349 Y CB 0.919 39.393 38.460 0.023 0.000 1.185 349 Y HN 0.436 nan 8.280 nan 0.000 0.476 350 E N 3.126 123.377 120.200 0.084 0.000 2.349 350 E HA 0.214 4.564 4.350 -0.000 0.000 0.265 350 E C -0.212 176.436 176.600 0.080 0.000 1.064 350 E CA -0.526 55.909 56.400 0.058 0.000 0.886 350 E CB 1.095 30.808 29.700 0.021 0.000 1.036 350 E HN 0.607 nan 8.360 nan 0.000 0.413 351 L N 0.670 121.928 121.223 0.058 0.000 2.543 351 L HA 0.024 4.364 4.340 -0.000 0.000 0.285 351 L C 1.502 178.400 176.870 0.047 0.000 1.236 351 L CA 1.099 55.970 54.840 0.052 0.000 0.871 351 L CB -0.241 41.841 42.059 0.039 0.000 1.121 351 L HN 0.925 nan 8.230 nan 0.000 0.501 352 G N 1.451 110.278 108.800 0.045 0.000 2.176 352 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.253 352 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.253 352 G C 0.214 175.143 174.900 0.048 0.000 0.979 352 G CA 0.227 45.350 45.100 0.039 0.000 0.641 352 G HN 0.825 nan 8.290 nan 0.000 0.530 353 S N -0.427 115.315 115.700 0.070 0.000 2.651 353 S HA 0.811 5.281 4.470 -0.000 0.000 0.291 353 S C -0.359 174.292 174.600 0.084 0.000 1.141 353 S CA -0.557 57.697 58.200 0.090 0.000 1.027 353 S CB 2.319 65.600 63.200 0.135 0.000 1.043 353 S HN 0.407 nan 8.310 nan 0.000 0.530 354 K N 0.562 121.008 120.400 0.077 0.000 2.378 354 K HA 0.780 5.100 4.320 -0.000 0.000 0.252 354 K C -1.219 175.410 176.600 0.048 0.000 0.931 354 K CA -0.864 55.449 56.287 0.044 0.000 0.794 354 K CB 2.280 34.796 32.500 0.027 0.000 1.181 354 K HN 0.865 nan 8.250 nan 0.000 0.425 355 A N 1.256 124.069 122.820 -0.012 0.000 2.540 355 A HA 0.669 4.989 4.320 -0.000 0.000 0.297 355 A C -1.191 176.348 177.584 -0.075 0.000 1.056 355 A CA -0.749 51.268 52.037 -0.032 0.000 0.700 355 A CB 1.482 20.429 19.000 -0.089 0.000 1.280 355 A HN 0.743 nan 8.150 nan 0.000 0.398 356 A N 1.072 123.866 122.820 -0.043 0.000 2.445 356 A HA 0.498 4.818 4.320 -0.000 0.000 0.242 356 A C 1.440 178.988 177.584 -0.060 0.000 1.075 356 A CA 0.551 52.557 52.037 -0.052 0.000 0.777 356 A CB -0.208 18.769 19.000 -0.038 0.000 1.013 356 A HN 1.885 nan 8.150 nan 0.000 0.493 357 T N -0.306 114.212 114.554 -0.061 0.000 3.035 357 T HA -0.160 4.190 4.350 -0.000 0.000 0.268 357 T C 1.560 176.271 174.700 0.019 0.000 1.109 357 T CA 1.153 63.227 62.100 -0.044 0.000 1.119 357 T CB -0.359 68.482 68.868 -0.045 0.000 0.900 357 T HN 0.840 nan 8.240 nan 0.000 0.503 358 R N 1.457 121.974 120.500 0.029 0.000 2.120 358 R HA 0.010 4.350 4.340 -0.000 0.000 0.234 358 R C 1.924 178.285 176.300 0.101 0.000 1.123 358 R CA 1.419 57.572 56.100 0.088 0.000 0.975 358 R CB -0.583 29.779 30.300 0.102 0.000 0.866 358 R HN 0.265 nan 8.270 nan 0.000 0.446 359 N N 0.961 119.702 118.700 0.069 0.000 2.290 359 N HA -0.089 4.651 4.740 -0.000 0.000 0.179 359 N C 1.891 177.471 175.510 0.115 0.000 1.016 359 N CA 1.658 54.762 53.050 0.089 0.000 0.871 359 N CB -0.013 38.520 38.487 0.076 0.000 0.987 359 N HN 0.451 nan 8.380 nan 0.000 0.431 360 S N -0.074 115.671 115.700 0.075 0.000 2.383 360 S HA -0.085 4.385 4.470 -0.000 0.000 0.227 360 S C 2.145 176.846 174.600 0.168 0.000 1.026 360 S CA 1.342 59.611 58.200 0.116 0.000 0.981 360 S CB -0.515 62.582 63.200 -0.171 0.000 0.818 360 S HN 0.232 nan 8.310 nan 0.000 0.472 361 S N 1.970 117.780 115.700 0.184 0.000 2.359 361 S HA -0.032 4.438 4.470 -0.000 0.000 0.224 361 S C 2.077 176.771 174.600 0.157 0.000 1.035 361 S CA 1.603 59.988 58.200 0.307 0.000 1.018 361 S CB -1.363 62.056 63.200 0.364 0.000 0.876 361 S HN 0.740 nan 8.310 nan 0.000 0.448 362 G N 0.577 109.455 108.800 0.130 0.000 2.422 362 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.218 362 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.218 362 G C 1.689 176.614 174.900 0.041 0.000 1.146 362 G CA 0.936 46.086 45.100 0.082 0.000 0.769 362 G HN 0.716 nan 8.290 nan 0.000 0.547 363 A N 0.107 122.971 122.820 0.073 0.000 1.933 363 A HA 0.076 4.396 4.320 -0.000 0.000 0.218 363 A C 2.599 180.173 177.584 -0.017 0.000 1.175 363 A CA 1.823 53.893 52.037 0.055 0.000 0.628 363 A CB -0.558 18.516 19.000 0.123 0.000 0.814 363 A HN 0.253 nan 8.150 nan 0.000 0.444 364 V N 0.119 119.999 119.914 -0.057 0.000 2.307 364 V HA -0.246 3.874 4.120 -0.000 0.000 0.245 364 V C 2.402 178.252 176.094 -0.407 0.000 1.045 364 V CA 1.860 64.035 62.300 -0.209 0.000 1.024 364 V CB -0.674 30.991 31.823 -0.262 0.000 0.651 364 V HN 0.574 nan 8.190 nan 0.000 0.449 365 I N 0.578 120.863 120.570 -0.475 0.000 2.185 365 I HA -0.320 3.850 4.170 -0.000 0.000 0.246 365 I C 2.389 178.431 176.117 -0.125 0.000 1.088 365 I CA 1.796 62.870 61.300 -0.377 0.000 1.347 365 I CB -0.480 37.360 38.000 -0.267 0.000 1.041 365 I HN 0.426 nan 8.210 nan 0.000 0.415 366 N N 0.604 119.259 118.700 -0.076 0.000 2.270 366 N HA -0.086 4.654 4.740 -0.000 0.000 0.181 366 N C 1.910 177.396 175.510 -0.041 0.000 1.016 366 N CA 1.354 54.393 53.050 -0.018 0.000 0.870 366 N CB -0.064 38.432 38.487 0.014 0.000 0.979 366 N HN 0.352 nan 8.380 nan 0.000 0.431 367 A N 1.552 124.323 122.820 -0.081 0.000 1.898 367 A HA -0.054 4.266 4.320 -0.000 0.000 0.216 367 A C 2.243 179.769 177.584 -0.097 0.000 1.181 367 A CA 0.822 52.815 52.037 -0.073 0.000 0.620 367 A CB -0.548 18.410 19.000 -0.070 0.000 0.819 367 A HN 0.151 nan 8.150 nan 0.000 0.442 368 I N -0.190 120.244 120.570 -0.227 0.000 2.286 368 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 368 I C 2.933 178.880 176.117 -0.284 0.000 1.115 368 I CA 0.943 62.006 61.300 -0.394 0.000 1.392 368 I CB -0.312 37.075 38.000 -1.022 0.000 1.065 368 I HN 0.349 nan 8.210 nan 0.000 0.418 369 A N 0.299 123.069 122.820 -0.083 0.000 1.940 369 A HA -0.285 4.035 4.320 -0.000 0.000 0.219 369 A C 2.331 179.942 177.584 0.046 0.000 1.176 369 A CA 2.091 54.194 52.037 0.111 0.000 0.631 369 A CB -0.625 18.467 19.000 0.154 0.000 0.814 369 A HN 0.549 nan 8.150 nan 0.000 0.446 370 E N -0.015 120.191 120.200 0.009 0.000 2.107 370 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 370 E C 1.871 178.482 176.600 0.018 0.000 0.982 370 E CA 1.459 57.868 56.400 0.015 0.000 0.809 370 E CB -0.037 29.667 29.700 0.007 0.000 0.756 370 E HN 0.711 nan 8.360 nan 0.000 0.459 371 S N -0.889 114.818 115.700 0.011 0.000 2.512 371 S HA 0.174 4.644 4.470 -0.000 0.000 0.216 371 S C 0.229 174.848 174.600 0.032 0.000 1.006 371 S CA -0.498 57.732 58.200 0.050 0.000 0.915 371 S CB 1.137 64.406 63.200 0.115 0.000 0.824 371 S HN 0.009 nan 8.310 nan 0.000 0.497 372 V N 3.514 123.397 119.914 -0.052 0.000 2.357 372 V HA 0.414 4.534 4.120 -0.000 0.000 0.281 372 V C -2.135 173.955 176.094 -0.007 0.000 1.015 372 V CA -1.558 60.675 62.300 -0.112 0.000 0.827 372 V CB 1.518 33.131 31.823 -0.350 0.000 1.018 372 V HN 0.083 nan 8.190 nan 0.000 0.432 373 P HA -0.079 nan 4.420 nan 0.000 0.223 373 P C 1.472 178.848 177.300 0.126 0.000 1.151 373 P CA 1.077 64.222 63.100 0.076 0.000 0.787 373 P CB 0.221 31.961 31.700 0.067 0.000 0.788 374 S N -2.182 113.599 115.700 0.135 0.000 2.603 374 S HA 0.022 4.492 4.470 -0.000 0.000 0.220 374 S C 0.424 175.202 174.600 0.298 0.000 0.967 374 S CA -0.512 57.801 58.200 0.188 0.000 0.920 374 S CB -1.376 61.910 63.200 0.144 0.000 0.773 374 S HN 0.033 nan 8.310 nan 0.000 0.529 375 F N 2.002 122.016 119.950 0.107 0.000 2.484 375 F HA 0.487 5.014 4.527 -0.000 0.000 0.360 375 F C -0.369 175.587 175.800 0.260 0.000 1.101 375 F CA -0.965 57.127 58.000 0.154 0.000 1.251 375 F CB 0.546 39.598 39.000 0.086 0.000 1.132 375 F HN 0.224 nan 8.300 nan 0.000 0.570 376 F N 4.537 124.347 119.950 -0.233 0.000 2.651 376 F HA 0.606 5.133 4.527 0.000 0.000 0.329 376 F C -0.707 174.698 175.800 -0.658 0.000 1.186 376 F CA -0.601 57.163 58.000 -0.395 0.000 1.046 376 F CB 1.162 39.965 39.000 -0.328 0.000 1.296 376 F HN 0.604 nan 8.300 nan 0.000 0.497 377 G N 1.787 109.899 108.800 -1.147 0.000 2.430 377 G HA2 0.659 4.619 3.960 -0.000 0.000 0.300 377 G HA3 0.659 4.619 3.960 -0.000 0.000 0.300 377 G C -1.147 173.087 174.900 -1.110 0.000 1.330 377 G CA -0.012 44.173 45.100 -1.525 0.000 0.813 377 G HN 1.475 nan 8.290 nan 0.000 0.487 378 G N -1.530 106.781 108.800 -0.815 0.000 2.435 378 G HA2 0.726 4.686 3.960 -0.000 0.000 0.296 378 G HA3 0.726 4.686 3.960 -0.000 0.000 0.296 378 G C -1.172 173.699 174.900 -0.048 0.000 1.240 378 G CA 0.893 45.803 45.100 -0.317 0.000 0.872 378 G HN 1.767 nan 8.290 nan 0.000 0.480 379 S N -1.594 114.115 115.700 0.014 0.000 2.595 379 S HA 0.671 5.141 4.470 -0.000 0.000 0.281 379 S C -0.225 174.408 174.600 0.056 0.000 1.117 379 S CA 0.457 58.671 58.200 0.023 0.000 0.873 379 S CB 1.490 64.659 63.200 -0.053 0.000 1.108 379 S HN 1.926 nan 8.310 nan 0.000 0.477 380 A N 2.796 125.617 122.820 0.002 0.000 3.056 380 A HA 0.458 4.778 4.320 -0.000 0.000 0.274 380 A C 0.495 178.028 177.584 -0.085 0.000 1.661 380 A CA 0.410 52.442 52.037 -0.008 0.000 1.363 380 A CB -1.456 17.509 19.000 -0.058 0.000 1.139 380 A HN 1.168 nan 8.150 nan 0.000 0.598 381 D N -0.194 120.158 120.400 -0.081 0.000 2.911 381 D HA -0.176 4.464 4.640 -0.000 0.000 0.227 381 D C -0.041 176.153 176.300 -0.177 0.000 1.164 381 D CA 1.495 55.427 54.000 -0.114 0.000 0.782 381 D CB -1.446 39.318 40.800 -0.060 0.000 1.094 381 D HN 0.505 nan 8.370 nan 0.000 0.425 382 L N -1.146 119.951 121.223 -0.210 0.000 3.288 382 L HA 0.544 4.885 4.340 -0.000 0.000 0.293 382 L C 1.997 178.772 176.870 -0.158 0.000 1.294 382 L CA 0.214 54.908 54.840 -0.242 0.000 1.006 382 L CB 0.124 41.925 42.059 -0.430 0.000 1.407 382 L HN 0.152 nan 8.230 nan 0.000 0.592 383 A N 0.425 123.129 122.820 -0.194 0.000 1.902 383 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 383 A C 2.242 179.793 177.584 -0.055 0.000 1.181 383 A CA 2.022 53.979 52.037 -0.133 0.000 0.623 383 A CB -0.615 18.221 19.000 -0.272 0.000 0.818 383 A HN 0.483 nan 8.150 nan 0.000 0.443 384 G N -0.986 107.761 108.800 -0.088 0.000 2.418 384 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.217 384 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.217 384 G C 1.792 176.730 174.900 0.064 0.000 1.158 384 G CA 1.342 46.428 45.100 -0.022 0.000 0.771 384 G HN 0.511 nan 8.290 nan 0.000 0.545 385 S N 0.924 116.673 115.700 0.082 0.000 2.406 385 S HA -0.032 4.438 4.470 -0.000 0.000 0.224 385 S C 2.108 176.895 174.600 0.311 0.000 1.030 385 S CA 0.502 58.839 58.200 0.229 0.000 0.958 385 S CB -0.134 63.219 63.200 0.256 0.000 0.811 385 S HN 0.317 nan 8.310 nan 0.000 0.489 386 N N 1.346 120.157 118.700 0.185 0.000 2.457 386 N HA 0.030 4.770 4.740 -0.000 0.000 0.180 386 N C -0.222 175.408 175.510 0.199 0.000 1.050 386 N CA 0.455 53.638 53.050 0.222 0.000 0.906 386 N CB -0.108 38.468 38.487 0.148 0.000 0.968 386 N HN 0.148 nan 8.380 nan 0.000 0.445 387 K N -0.310 120.187 120.400 0.162 0.000 3.096 387 K HA -0.132 4.188 4.320 -0.000 0.000 0.266 387 K C 0.556 177.253 176.600 0.161 0.000 1.043 387 K CA 0.987 57.364 56.287 0.150 0.000 0.758 387 K CB -2.801 29.785 32.500 0.144 0.000 1.260 387 K HN 0.499 nan 8.250 nan 0.000 0.481 388 T N -4.096 110.564 114.554 0.177 0.000 3.081 388 T HA 0.049 4.399 4.350 -0.000 0.000 0.250 388 T C 0.967 175.802 174.700 0.226 0.000 1.100 388 T CA -0.109 62.124 62.100 0.222 0.000 1.038 388 T CB -0.029 69.017 68.868 0.297 0.000 0.962 388 T HN 0.292 nan 8.240 nan 0.000 0.516 392 N N 1.367 120.116 118.700 0.082 0.000 2.251 392 N HA 0.131 4.871 4.740 -0.000 0.000 0.217 392 N C -0.426 175.118 175.510 0.057 0.000 1.124 392 N CA 0.515 53.608 53.050 0.071 0.000 0.843 392 N CB 0.913 39.433 38.487 0.055 0.000 1.024 392 N HN 0.284 nan 8.380 nan 0.000 0.501 393 E N 0.370 120.590 120.200 0.033 0.000 2.320 393 E HA 0.374 4.724 4.350 -0.000 0.000 0.264 393 E C -0.028 176.600 176.600 0.046 0.000 0.923 393 E CA -0.458 55.959 56.400 0.027 0.000 0.796 393 E CB 2.229 31.930 29.700 0.002 0.000 1.262 393 E HN -0.027 nan 8.360 nan 0.000 0.428 394 K N 0.521 120.968 120.400 0.079 0.000 2.209 394 K HA 0.316 4.636 4.320 -0.000 0.000 0.238 394 K C -0.391 176.298 176.600 0.149 0.000 1.028 394 K CA -0.724 55.632 56.287 0.115 0.000 0.935 394 K CB 0.503 33.058 32.500 0.091 0.000 1.162 394 K HN 0.310 nan 8.250 nan 0.000 0.485 395 D N 0.904 121.414 120.400 0.182 0.000 2.255 395 D HA 0.074 4.714 4.640 -0.000 0.000 0.249 395 D C -0.738 175.685 176.300 0.204 0.000 1.078 395 D CA -0.221 53.923 54.000 0.240 0.000 0.896 395 D CB 0.592 41.488 40.800 0.160 0.000 1.194 395 D HN 0.237 nan 8.370 nan 0.000 0.429 396 F N 2.833 122.847 119.950 0.108 0.000 2.462 396 F HA 0.179 4.706 4.527 -0.000 0.000 0.360 396 F C 0.448 176.267 175.800 0.031 0.000 1.134 396 F CA -0.184 57.883 58.000 0.113 0.000 1.148 396 F CB -0.128 38.961 39.000 0.147 0.000 1.147 396 F HN 0.157 nan 8.300 nan 0.000 0.550 397 T N 2.690 116.977 114.554 -0.444 0.000 2.838 397 T HA 0.333 4.683 4.350 -0.000 0.000 0.292 397 T C 1.038 175.259 174.700 -0.799 0.000 1.113 397 T CA -0.746 61.046 62.100 -0.514 0.000 1.008 397 T CB 1.481 70.135 68.868 -0.356 0.000 1.259 397 T HN 0.662 nan 8.240 nan 0.000 0.520 398 R N 0.376 120.472 120.500 -0.673 0.000 2.159 398 R HA -0.074 4.266 4.340 -0.000 0.000 0.237 398 R C 0.458 176.288 176.300 -0.783 0.000 1.131 398 R CA 1.786 57.442 56.100 -0.741 0.000 0.982 398 R CB -0.621 29.407 30.300 -0.453 0.000 0.868 398 R HN 0.553 nan 8.270 nan 0.000 0.453 399 D N -0.027 120.029 120.400 -0.574 0.000 2.367 399 D HA 0.020 4.660 4.640 -0.000 0.000 0.207 399 D C -0.449 175.615 176.300 -0.394 0.000 1.034 399 D CA 0.593 54.344 54.000 -0.415 0.000 0.861 399 D CB 0.357 40.991 40.800 -0.276 0.000 0.943 399 D HN 0.196 nan 8.370 nan 0.000 0.515 400 D N -0.488 119.625 120.400 -0.480 0.000 2.351 400 D HA 0.005 4.645 4.640 -0.000 0.000 0.235 400 D C -0.227 175.925 176.300 -0.247 0.000 1.331 400 D CA -0.510 53.316 54.000 -0.289 0.000 0.959 400 D CB -0.172 40.542 40.800 -0.143 0.000 1.432 400 D HN -0.224 nan 8.370 nan 0.000 0.544 401 Y N 1.008 121.246 120.300 -0.104 0.000 2.616 401 Y HA -0.027 4.523 4.550 -0.000 0.000 0.296 401 Y C 2.474 178.564 175.900 0.317 0.000 1.154 401 Y CA 0.985 59.083 58.100 -0.003 0.000 1.325 401 Y CB -0.093 38.358 38.460 -0.016 0.000 1.007 401 Y HN 0.391 nan 8.280 nan 0.000 0.542 402 S N -1.168 114.690 115.700 0.264 0.000 2.489 402 S HA 0.094 4.564 4.470 -0.000 0.000 0.228 402 S C 1.464 176.264 174.600 0.334 0.000 0.995 402 S CA 0.147 58.456 58.200 0.182 0.000 0.934 402 S CB -0.659 62.556 63.200 0.025 0.000 0.771 402 S HN 0.269 nan 8.310 nan 0.000 0.522 403 G N 1.048 110.059 108.800 0.351 0.000 2.414 403 G HA2 0.248 4.208 3.960 -0.000 0.000 0.236 403 G HA3 0.248 4.208 3.960 -0.000 0.000 0.236 403 G C 0.322 175.482 174.900 0.433 0.000 1.293 403 G CA -0.551 44.744 45.100 0.325 0.000 0.869 403 G HN 0.452 nan 8.290 nan 0.000 0.556 404 K N 1.000 121.565 120.400 0.275 0.000 2.352 404 K HA 0.046 4.366 4.320 -0.000 0.000 0.194 404 K C 0.359 176.953 176.600 -0.010 0.000 1.038 404 K CA -0.017 56.400 56.287 0.216 0.000 1.023 404 K CB 0.268 32.881 32.500 0.188 0.000 0.840 404 K HN 0.358 nan 8.250 nan 0.000 0.519 405 N N 1.948 120.642 118.700 -0.011 0.000 2.406 405 N HA 0.172 4.912 4.740 -0.000 0.000 0.251 405 N C -0.624 174.913 175.510 0.046 0.000 1.069 405 N CA 0.151 53.131 53.050 -0.117 0.000 0.947 405 N CB 0.942 39.305 38.487 -0.206 0.000 1.111 405 N HN 0.052 nan 8.380 nan 0.000 0.497 406 I N 1.716 122.139 120.570 -0.244 0.000 2.353 406 I HA 0.217 4.387 4.170 -0.000 0.000 0.293 406 I C -0.339 175.683 176.117 -0.160 0.000 0.992 406 I CA -0.677 60.464 61.300 -0.266 0.000 1.268 406 I CB 0.802 38.263 38.000 -0.899 0.000 1.387 406 I HN 0.266 nan 8.210 nan 0.000 0.478 407 W N 6.322 127.498 121.300 -0.206 0.000 2.295 407 W HA 0.333 4.993 4.660 -0.000 0.000 0.333 407 W C 0.413 176.839 176.519 -0.156 0.000 0.990 407 W CA -0.502 56.781 57.345 -0.103 0.000 1.453 407 W CB -0.072 29.377 29.460 -0.018 0.000 1.263 407 W HN 0.446 nan 8.180 nan 0.000 0.380 408 Y N 2.045 122.385 120.300 0.066 0.000 2.509 408 Y HA 0.109 4.659 4.550 -0.000 0.000 0.293 408 Y C 2.019 177.932 175.900 0.022 0.000 1.133 408 Y CA 1.127 59.242 58.100 0.026 0.000 1.283 408 Y CB -0.543 37.894 38.460 -0.038 0.000 1.001 408 Y HN 0.527 nan 8.280 nan 0.000 0.555 409 G N -0.217 108.678 108.800 0.159 0.000 2.750 409 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.228 409 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.228 409 G C -0.566 174.352 174.900 0.030 0.000 1.367 409 G CA -0.435 44.711 45.100 0.077 0.000 0.871 409 G HN 0.030 nan 8.290 nan 0.000 0.560 410 V N 1.514 121.417 119.914 -0.018 0.000 2.071 410 V HA 0.451 4.571 4.120 -0.000 0.000 0.254 410 V C 0.961 177.019 176.094 -0.061 0.000 1.456 410 V CA 0.787 63.040 62.300 -0.079 0.000 1.383 410 V CB -0.639 31.121 31.823 -0.105 0.000 1.433 410 V HN 0.562 nan 8.190 nan 0.000 0.499 411 R N 1.731 122.213 120.500 -0.029 0.000 2.627 411 R HA 0.254 4.594 4.340 -0.000 0.000 0.251 411 R C 0.295 176.607 176.300 0.019 0.000 1.524 411 R CA -0.333 55.776 56.100 0.016 0.000 1.606 411 R CB 0.860 31.189 30.300 0.048 0.000 1.396 411 R HN 0.407 nan 8.270 nan 0.000 0.724 412 E N 0.565 120.770 120.200 0.007 0.000 2.051 412 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 412 E C 1.188 177.872 176.600 0.140 0.000 0.991 412 E CA 1.293 57.711 56.400 0.031 0.000 0.799 412 E CB -0.049 29.667 29.700 0.027 0.000 0.748 412 E HN 0.278 nan 8.360 nan 0.000 0.449 413 F N 1.217 121.183 119.950 0.028 0.000 2.102 413 F HA 0.043 4.570 4.527 0.000 0.000 0.298 413 F C 1.249 177.039 175.800 -0.017 0.000 1.105 413 F CA 0.670 58.682 58.000 0.020 0.000 1.239 413 F CB -1.007 38.015 39.000 0.036 0.000 0.991 413 F HN -0.057 nan 8.300 nan 0.000 0.474 417 A N 1.109 124.005 122.820 0.126 0.000 1.929 417 A HA 0.666 4.986 4.320 -0.000 0.000 0.216 417 A C 1.904 179.510 177.584 0.037 0.000 1.176 417 A CA 2.001 54.088 52.037 0.083 0.000 0.628 417 A CB -0.780 18.235 19.000 0.026 0.000 0.816 417 A HN 1.570 nan 8.150 nan 0.000 0.444 421 G N 1.954 110.756 108.800 0.004 0.000 2.418 421 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.217 421 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.217 421 G C 1.535 176.458 174.900 0.039 0.000 1.158 421 G CA 0.967 46.070 45.100 0.006 0.000 0.771 421 G HN 0.276 nan 8.290 nan 0.000 0.545 422 I N 1.363 121.965 120.570 0.053 0.000 2.163 422 I HA -0.204 3.966 4.170 -0.000 0.000 0.243 422 I C 3.282 179.461 176.117 0.105 0.000 1.085 422 I CA 1.123 62.475 61.300 0.087 0.000 1.347 422 I CB -0.186 37.875 38.000 0.102 0.000 1.044 422 I HN 0.247 nan 8.210 nan 0.000 0.408 423 A N 0.593 123.451 122.820 0.064 0.000 1.930 423 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 423 A C 2.290 179.901 177.584 0.044 0.000 1.175 423 A CA 1.279 53.354 52.037 0.063 0.000 0.627 423 A CB -0.764 18.255 19.000 0.032 0.000 0.815 423 A HN 0.375 nan 8.150 nan 0.000 0.443 424 L N -1.386 119.820 121.223 -0.029 0.000 2.046 424 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 424 L C 2.722 179.577 176.870 -0.025 0.000 1.077 424 L CA 1.540 56.297 54.840 -0.137 0.000 0.747 424 L CB -0.665 41.245 42.059 -0.248 0.000 0.896 424 L HN 0.591 nan 8.230 nan 0.000 0.432 425 H N 0.647 119.696 119.070 -0.035 0.000 2.353 425 H HA -0.083 4.473 4.556 -0.000 0.000 0.298 425 H C 0.847 176.218 175.328 0.072 0.000 1.103 425 H CA 1.358 57.388 56.048 -0.031 0.000 1.293 425 H CB 0.007 29.748 29.762 -0.035 0.000 1.372 425 H HN 0.328 nan 8.280 nan 0.000 0.501 426 G N -2.439 106.548 108.800 0.311 0.000 2.692 426 G HA2 0.158 4.118 3.960 -0.000 0.000 0.686 426 G HA3 0.158 4.118 3.960 -0.000 0.000 0.686 426 G C 0.693 175.936 174.900 0.572 0.000 1.243 426 G CA 0.321 45.653 45.100 0.386 0.000 0.782 426 G HN 1.090 nan 8.290 nan 0.000 0.625 427 G N -1.187 107.814 108.800 0.334 0.000 2.195 427 G HA2 0.030 3.990 3.960 -0.000 0.000 0.224 427 G HA3 0.030 3.990 3.960 -0.000 0.000 0.224 427 G C 0.229 175.255 174.900 0.211 0.000 0.990 427 G CA 0.680 45.933 45.100 0.256 0.000 0.639 427 G HN 1.590 nan 8.290 nan 0.000 0.514 428 L N 0.188 121.536 121.223 0.207 0.000 2.422 428 L HA 0.608 4.948 4.340 -0.000 0.000 0.264 428 L C -0.652 176.334 176.870 0.193 0.000 0.984 428 L CA -1.218 53.741 54.840 0.199 0.000 0.819 428 L CB 2.151 44.325 42.059 0.191 0.000 1.330 428 L HN -0.182 nan 8.230 nan 0.000 0.410 429 K N 1.695 122.233 120.400 0.230 0.000 2.240 429 K HA 0.547 4.867 4.320 -0.000 0.000 0.271 429 K C -0.588 176.184 176.600 0.287 0.000 1.018 429 K CA -0.249 56.191 56.287 0.254 0.000 0.874 429 K CB 2.011 34.687 32.500 0.294 0.000 1.098 429 K HN 0.552 nan 8.250 nan 0.000 0.458 430 T N 2.650 117.315 114.554 0.186 0.000 2.907 430 T HA 0.694 5.044 4.350 -0.000 0.000 0.292 430 T C -1.522 173.213 174.700 0.058 0.000 1.043 430 T CA -0.607 61.519 62.100 0.042 0.000 1.003 430 T CB 0.609 69.466 68.868 -0.019 0.000 1.084 430 T HN 0.470 nan 8.240 nan 0.000 0.483 431 Y N -0.372 119.835 120.300 -0.155 0.000 2.625 431 Y HA 0.827 5.377 4.550 -0.000 0.000 0.338 431 Y C -0.531 175.289 175.900 -0.134 0.000 1.123 431 Y CA -1.280 56.748 58.100 -0.121 0.000 1.046 431 Y CB 1.142 39.649 38.460 0.080 0.000 1.299 431 Y HN 0.847 nan 8.280 nan 0.000 0.464 432 G N -0.269 108.519 108.800 -0.021 0.000 2.719 432 G HA2 0.567 4.527 3.960 -0.000 0.000 0.298 432 G HA3 0.567 4.527 3.960 -0.000 0.000 0.298 432 G C -1.426 173.514 174.900 0.067 0.000 1.411 432 G CA -0.579 44.483 45.100 -0.063 0.000 0.991 432 G HN 1.120 nan 8.290 nan 0.000 0.509 433 G N -0.842 108.013 108.800 0.092 0.000 2.448 433 G HA2 0.763 4.723 3.960 -0.000 0.000 0.324 433 G HA3 0.763 4.723 3.960 -0.000 0.000 0.324 433 G C -0.748 174.221 174.900 0.115 0.000 1.203 433 G CA -0.212 44.962 45.100 0.124 0.000 0.954 433 G HN 0.901 nan 8.290 nan 0.000 0.480 434 T N -0.512 114.178 114.554 0.228 0.000 2.739 434 T HA 0.524 4.874 4.350 -0.000 0.000 0.303 434 T C -1.214 173.676 174.700 0.316 0.000 1.389 434 T CA -0.615 61.583 62.100 0.163 0.000 1.001 434 T CB 0.627 69.603 68.868 0.180 0.000 1.436 434 T HN 0.218 nan 8.240 nan 0.000 0.500 435 F N 2.574 122.633 119.950 0.181 0.000 2.563 435 F HA 0.292 4.819 4.527 0.000 0.000 0.363 435 F C 1.350 177.191 175.800 0.069 0.000 1.123 435 F CA -0.958 57.080 58.000 0.063 0.000 1.307 435 F CB -0.105 38.775 39.000 -0.200 0.000 1.115 435 F HN 0.587 nan 8.300 nan 0.000 0.592 436 F N 2.437 122.446 119.950 0.098 0.000 2.161 436 F HA -0.168 4.359 4.527 -0.000 0.000 0.300 436 F C 2.076 177.662 175.800 -0.358 0.000 1.089 436 F CA 1.406 59.278 58.000 -0.213 0.000 1.282 436 F CB -0.682 38.262 39.000 -0.092 0.000 1.010 436 F HN 0.204 nan 8.300 nan 0.000 0.485 437 V N -0.129 119.582 119.914 -0.339 0.000 2.469 437 V HA -0.282 3.838 4.120 -0.000 0.000 0.251 437 V C 1.808 177.608 176.094 -0.490 0.000 1.064 437 V CA 1.781 63.742 62.300 -0.566 0.000 1.066 437 V CB -0.686 30.732 31.823 -0.674 0.000 0.667 437 V HN 0.224 nan 8.190 nan 0.000 0.461 438 F N 0.542 120.419 119.950 -0.122 0.000 2.732 438 F HA 0.180 4.707 4.527 -0.000 0.000 0.303 438 F C 2.378 178.106 175.800 -0.119 0.000 1.110 438 F CA 0.393 58.333 58.000 -0.101 0.000 1.355 438 F CB -1.108 37.750 39.000 -0.236 0.000 1.081 438 F HN 0.291 nan 8.300 nan 0.000 0.565 439 S N -0.611 114.946 115.700 -0.238 0.000 2.402 439 S HA -0.239 4.231 4.470 -0.000 0.000 0.233 439 S C 1.612 176.090 174.600 -0.203 0.000 1.030 439 S CA 1.610 59.551 58.200 -0.432 0.000 1.003 439 S CB -0.418 62.144 63.200 -1.064 0.000 0.813 439 S HN 0.307 nan 8.310 nan 0.000 0.477 440 D N 0.747 121.067 120.400 -0.133 0.000 2.182 440 D HA -0.094 4.546 4.640 -0.000 0.000 0.201 440 D C 1.448 177.700 176.300 -0.079 0.000 0.986 440 D CA 1.180 55.117 54.000 -0.106 0.000 0.847 440 D CB -0.444 40.312 40.800 -0.073 0.000 0.942 440 D HN 0.548 nan 8.370 nan 0.000 0.467 441 Y N 0.326 120.548 120.300 -0.129 0.000 2.439 441 Y HA -0.006 4.544 4.550 -0.000 0.000 0.292 441 Y C 2.016 177.744 175.900 -0.287 0.000 1.130 441 Y CA 0.580 58.591 58.100 -0.148 0.000 1.254 441 Y CB -0.183 38.240 38.460 -0.062 0.000 1.000 441 Y HN 0.003 nan 8.280 nan 0.000 0.554 442 L N -2.459 118.696 121.223 -0.113 0.000 2.910 442 L HA 0.441 4.781 4.340 -0.000 0.000 0.252 442 L C 1.775 178.433 176.870 -0.354 0.000 1.195 442 L CA 0.048 54.729 54.840 -0.266 0.000 1.003 442 L CB -0.104 41.955 42.059 0.000 0.000 1.328 442 L HN -0.173 nan 8.230 nan 0.000 0.540 443 R N 1.475 121.760 120.500 -0.358 0.000 2.103 443 R HA -0.074 4.266 4.340 -0.000 0.000 0.242 443 R C -0.614 175.541 176.300 -0.241 0.000 1.142 443 R CA 2.006 57.948 56.100 -0.262 0.000 0.960 443 R CB -1.043 29.119 30.300 -0.229 0.000 0.858 443 R HN 0.373 nan 8.270 nan 0.000 0.439 444 P HA -0.010 nan 4.420 nan 0.000 0.221 444 P C 0.480 177.780 177.300 0.000 0.000 1.150 444 P CA 1.523 64.524 63.100 -0.164 0.000 0.800 444 P CB 0.069 31.687 31.700 -0.136 0.000 0.787 445 A N -0.614 122.221 122.820 0.025 0.000 1.970 445 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 445 A C 2.100 179.764 177.584 0.132 0.000 1.170 445 A CA 0.866 53.009 52.037 0.177 0.000 0.645 445 A CB -1.398 17.779 19.000 0.295 0.000 0.816 445 A HN 0.088 nan 8.150 nan 0.000 0.447 446 I N -0.773 119.833 120.570 0.059 0.000 2.208 446 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 446 I C 2.675 178.859 176.117 0.111 0.000 1.097 446 I CA 1.662 63.024 61.300 0.104 0.000 1.363 446 I CB -0.336 37.632 38.000 -0.054 0.000 1.051 446 I HN 0.345 nan 8.210 nan 0.000 0.413 447 R N 1.232 121.764 120.500 0.053 0.000 2.081 447 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 447 R C 2.320 178.664 176.300 0.075 0.000 1.131 447 R CA 1.329 57.460 56.100 0.053 0.000 0.960 447 R CB -0.101 30.210 30.300 0.019 0.000 0.856 447 R HN 0.348 nan 8.270 nan 0.000 0.436 448 L N -0.093 121.181 121.223 0.085 0.000 2.156 448 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 448 L C 2.611 179.543 176.870 0.103 0.000 1.095 448 L CA 0.955 55.847 54.840 0.088 0.000 0.770 448 L CB -0.490 41.622 42.059 0.087 0.000 0.914 448 L HN 0.308 nan 8.230 nan 0.000 0.439 449 A N 0.280 123.176 122.820 0.127 0.000 1.902 449 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 449 A C 2.537 180.199 177.584 0.130 0.000 1.181 449 A CA 1.741 53.857 52.037 0.132 0.000 0.623 449 A CB -0.571 18.538 19.000 0.181 0.000 0.818 449 A HN 0.394 nan 8.150 nan 0.000 0.443 450 A N -0.728 122.171 122.820 0.131 0.000 1.898 450 A HA 0.208 4.528 4.320 -0.000 0.000 0.216 450 A C 1.346 178.995 177.584 0.109 0.000 1.181 450 A CA 1.211 53.319 52.037 0.118 0.000 0.620 450 A CB -0.675 18.390 19.000 0.108 0.000 0.819 450 A HN 0.608 nan 8.150 nan 0.000 0.442 454 L N 2.747 124.045 121.223 0.126 0.000 2.275 454 L HA 0.450 4.790 4.340 -0.000 0.000 0.288 454 L C -1.857 175.047 176.870 0.056 0.000 1.046 454 L CA -1.847 53.049 54.840 0.093 0.000 0.805 454 L CB 0.800 42.894 42.059 0.058 0.000 1.193 454 L HN -0.065 nan 8.230 nan 0.000 0.426 455 P HA 0.065 nan 4.420 nan 0.000 0.220 455 P C -0.196 177.097 177.300 -0.011 0.000 1.806 455 P CA -0.094 63.024 63.100 0.030 0.000 0.976 455 P CB 0.012 31.747 31.700 0.057 0.000 1.952 456 V N -0.875 118.987 119.914 -0.087 0.000 3.036 456 V HA 0.645 4.764 4.120 -0.000 0.000 0.308 456 V C 0.082 175.959 176.094 -0.361 0.000 1.070 456 V CA -0.193 61.987 62.300 -0.201 0.000 1.056 456 V CB 0.957 32.607 31.823 -0.289 0.000 1.084 456 V HN 0.111 nan 8.190 nan 0.000 0.471 457 T N 2.728 117.055 114.554 -0.378 0.000 2.840 457 T HA 0.592 4.942 4.350 -0.000 0.000 0.287 457 T C -1.200 173.179 174.700 -0.535 0.000 0.991 457 T CA 0.021 61.869 62.100 -0.421 0.000 0.964 457 T CB 0.785 69.518 68.868 -0.226 0.000 0.954 457 T HN 0.595 nan 8.240 nan 0.000 0.438 458 Y N 1.413 121.508 120.300 -0.342 0.000 2.320 458 Y HA 0.474 5.024 4.550 0.000 0.000 0.334 458 Y C 0.263 175.767 175.900 -0.660 0.000 1.055 458 Y CA -1.231 56.490 58.100 -0.631 0.000 1.143 458 Y CB 0.857 38.601 38.460 -1.193 0.000 1.193 458 Y HN 0.284 nan 8.280 nan 0.000 0.477 459 V N 5.550 125.291 119.914 -0.289 0.000 2.288 459 V HA 0.212 4.332 4.120 -0.000 0.000 0.266 459 V C -0.838 175.248 176.094 -0.012 0.000 1.048 459 V CA -0.627 61.603 62.300 -0.118 0.000 0.842 459 V CB -0.671 31.221 31.823 0.115 0.000 1.064 459 V HN 0.438 nan 8.190 nan 0.000 0.472 460 F N 3.638 123.627 119.950 0.065 0.000 2.308 460 F HA 0.504 5.031 4.527 0.000 0.000 0.370 460 F C 1.016 176.856 175.800 0.068 0.000 1.100 460 F CA -0.863 57.192 58.000 0.092 0.000 1.108 460 F CB 1.366 40.368 39.000 0.003 0.000 1.293 460 F HN 0.522 nan 8.300 nan 0.000 0.478 461 T N -1.353 113.452 114.554 0.418 0.000 2.880 461 T HA 0.401 4.751 4.350 -0.000 0.000 0.279 461 T C -0.344 174.636 174.700 0.467 0.000 0.990 461 T CA -0.487 61.846 62.100 0.388 0.000 0.938 461 T CB 0.604 69.775 68.868 0.504 0.000 1.206 461 T HN 0.586 nan 8.240 nan 0.000 0.573 462 H N 0.261 119.388 119.070 0.094 0.000 2.748 462 H HA -0.084 4.472 4.556 -0.000 0.000 0.322 462 H C 0.568 175.895 175.328 -0.000 0.000 1.208 462 H CA 0.848 56.872 56.048 -0.040 0.000 1.151 462 H CB -1.798 27.789 29.762 -0.292 0.000 1.505 462 H HN 0.820 nan 8.280 nan 0.000 0.429 463 D N -0.970 119.482 120.400 0.086 0.000 2.363 463 D HA 0.001 4.641 4.640 -0.000 0.000 0.226 463 D C 0.902 177.287 176.300 0.141 0.000 1.020 463 D CA 0.915 55.015 54.000 0.166 0.000 0.892 463 D CB 0.308 41.109 40.800 0.003 0.000 0.900 463 D HN 0.516 nan 8.370 nan 0.000 0.531 464 S N -0.815 114.893 115.700 0.014 0.000 2.757 464 S HA 0.316 4.786 4.470 -0.000 0.000 0.285 464 S C 1.188 175.727 174.600 -0.102 0.000 1.196 464 S CA -0.431 57.741 58.200 -0.047 0.000 0.856 464 S CB 0.052 63.189 63.200 -0.104 0.000 1.212 464 S HN 0.039 nan 8.310 nan 0.000 0.516 465 I N -0.719 119.759 120.570 -0.154 0.000 2.657 465 I HA 0.081 4.251 4.170 -0.000 0.000 0.261 465 I C 2.245 178.254 176.117 -0.180 0.000 1.212 465 I CA 1.424 62.605 61.300 -0.199 0.000 1.453 465 I CB -0.900 36.898 38.000 -0.337 0.000 1.092 465 I HN 0.664 nan 8.210 nan 0.000 0.452 466 A N 1.408 124.130 122.820 -0.165 0.000 2.076 466 A HA -0.095 4.225 4.320 -0.000 0.000 0.220 466 A C 2.398 179.910 177.584 -0.120 0.000 1.160 466 A CA 1.826 53.781 52.037 -0.136 0.000 0.653 466 A CB -1.025 17.897 19.000 -0.131 0.000 0.801 466 A HN 0.378 nan 8.150 nan 0.000 0.455 467 V N -0.985 118.858 119.914 -0.118 0.000 2.324 467 V HA -0.092 4.028 4.120 -0.000 0.000 0.250 467 V C 2.232 178.276 176.094 -0.083 0.000 1.060 467 V CA 2.063 64.304 62.300 -0.099 0.000 1.042 467 V CB -1.603 30.167 31.823 -0.090 0.000 0.650 467 V HN 1.181 nan 8.190 nan 0.000 0.450 468 G N -0.572 108.173 108.800 -0.091 0.000 2.866 468 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.274 468 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.274 468 G C 0.641 175.501 174.900 -0.066 0.000 1.413 468 G CA 0.427 45.481 45.100 -0.077 0.000 0.997 468 G HN 0.367 nan 8.290 nan 0.000 0.559 469 E N 1.151 121.317 120.200 -0.057 0.000 2.153 469 E HA 0.059 4.409 4.350 -0.000 0.000 0.194 469 E C 1.932 178.485 176.600 -0.079 0.000 0.988 469 E CA 1.311 57.679 56.400 -0.053 0.000 0.811 469 E CB -0.177 29.499 29.700 -0.040 0.000 0.746 469 E HN 0.474 nan 8.360 nan 0.000 0.466 470 D N -0.222 120.108 120.400 -0.117 0.000 2.263 470 D HA 0.011 4.651 4.640 -0.000 0.000 0.208 470 D C 1.020 177.225 176.300 -0.158 0.000 0.971 470 D CA 1.264 55.132 54.000 -0.219 0.000 0.867 470 D CB -0.163 40.417 40.800 -0.367 0.000 0.929 470 D HN 0.234 nan 8.370 nan 0.000 0.492 471 G N 0.168 108.924 108.800 -0.074 0.000 2.698 471 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.225 471 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.225 471 G C -1.941 172.968 174.900 0.014 0.000 1.345 471 G CA -0.146 44.939 45.100 -0.026 0.000 0.871 471 G HN -0.029 nan 8.290 nan 0.000 0.540 472 P HA -0.076 nan 4.420 nan 0.000 0.221 472 P C 1.916 179.221 177.300 0.007 0.000 1.150 472 P CA 2.720 65.843 63.100 0.037 0.000 0.800 472 P CB -0.359 31.367 31.700 0.044 0.000 0.787 473 T N -4.773 109.808 114.554 0.045 0.000 3.072 473 T HA -0.103 4.247 4.350 -0.000 0.000 0.266 473 T C 1.149 175.870 174.700 0.035 0.000 1.127 473 T CA 1.115 63.254 62.100 0.065 0.000 1.107 473 T CB -1.015 67.959 68.868 0.176 0.000 0.910 473 T HN 0.171 nan 8.240 nan 0.000 0.513 474 H N 0.308 119.311 119.070 -0.111 0.000 2.784 474 H HA 0.462 5.018 4.556 0.000 0.000 0.273 474 H C -0.277 174.903 175.328 -0.247 0.000 1.112 474 H CA -0.497 55.414 56.048 -0.228 0.000 1.162 474 H CB 0.526 30.180 29.762 -0.179 0.000 1.586 474 H HN 0.509 nan 8.280 nan 0.000 0.548 475 E N 1.715 121.873 120.200 -0.069 0.000 2.145 475 E HA 0.255 4.605 4.350 -0.000 0.000 0.262 475 E C -2.625 173.934 176.600 -0.069 0.000 0.883 475 E CA -2.297 54.060 56.400 -0.072 0.000 0.748 475 E CB 1.850 31.522 29.700 -0.047 0.000 1.140 475 E HN 0.082 nan 8.360 nan 0.000 0.417 476 P HA 0.004 nan 4.420 nan 0.000 0.268 476 P C -0.113 177.150 177.300 -0.061 0.000 1.205 476 P CA 0.125 63.134 63.100 -0.152 0.000 0.771 476 P CB 0.842 32.442 31.700 -0.165 0.000 0.858 477 I N 1.757 122.289 120.570 -0.063 0.000 3.814 477 I HA 0.017 4.187 4.170 -0.000 0.000 0.264 477 I C 1.750 177.843 176.117 -0.040 0.000 1.145 477 I CA 0.757 62.042 61.300 -0.024 0.000 1.375 477 I CB -0.916 37.062 38.000 -0.036 0.000 1.638 477 I HN 0.357 nan 8.210 nan 0.000 0.432 478 E N 1.267 121.414 120.200 -0.089 0.000 2.474 478 E HA -0.055 4.295 4.350 -0.000 0.000 0.195 478 E C 1.387 177.902 176.600 -0.142 0.000 1.039 478 E CA 0.432 56.777 56.400 -0.093 0.000 0.881 478 E CB 0.176 29.805 29.700 -0.118 0.000 0.970 478 E HN 0.330 nan 8.360 nan 0.000 0.486 479 Q N 0.983 120.611 119.800 -0.286 0.000 2.124 479 Q HA 0.042 4.382 4.340 -0.000 0.000 0.202 479 Q C 2.259 178.143 176.000 -0.193 0.000 0.977 479 Q CA 1.186 56.682 55.803 -0.512 0.000 0.850 479 Q CB -0.273 27.654 28.738 -1.351 0.000 0.901 479 Q HN 0.303 nan 8.270 nan 0.000 0.429 480 L N -0.437 120.839 121.223 0.087 0.000 1.989 480 L HA -0.240 4.100 4.340 -0.000 0.000 0.211 480 L C 2.304 179.255 176.870 0.134 0.000 1.071 480 L CA 1.291 56.296 54.840 0.276 0.000 0.749 480 L CB -0.700 41.523 42.059 0.273 0.000 0.890 480 L HN 0.266 nan 8.230 nan 0.000 0.431 481 A N -0.221 122.655 122.820 0.092 0.000 1.908 481 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 481 A C 2.485 180.104 177.584 0.059 0.000 1.181 481 A CA 1.867 53.964 52.037 0.100 0.000 0.627 481 A CB -0.814 18.275 19.000 0.149 0.000 0.818 481 A HN 0.447 nan 8.150 nan 0.000 0.445 482 A N -0.526 122.289 122.820 -0.008 0.000 1.933 482 A HA -0.017 4.303 4.320 -0.000 0.000 0.218 482 A C 2.151 179.734 177.584 -0.002 0.000 1.175 482 A CA 1.543 53.555 52.037 -0.041 0.000 0.628 482 A CB -0.489 18.445 19.000 -0.110 0.000 0.814 482 A HN 0.486 nan 8.150 nan 0.000 0.444 483 L N -1.681 119.563 121.223 0.035 0.000 2.162 483 L HA -0.031 4.309 4.340 -0.000 0.000 0.205 483 L C 2.705 179.626 176.870 0.085 0.000 1.086 483 L CA 0.747 55.633 54.840 0.077 0.000 0.778 483 L CB -0.390 41.759 42.059 0.149 0.000 0.928 483 L HN 0.287 nan 8.230 nan 0.000 0.446 484 R N 0.458 121.009 120.500 0.085 0.000 2.152 484 R HA -0.033 4.307 4.340 -0.000 0.000 0.232 484 R C 1.135 177.474 176.300 0.065 0.000 1.117 484 R CA 0.748 56.889 56.100 0.068 0.000 0.981 484 R CB -0.312 30.013 30.300 0.041 0.000 0.870 484 R HN 0.308 nan 8.270 nan 0.000 0.451 488 N N -0.155 118.588 118.700 0.072 0.000 2.735 488 N HA -0.096 4.644 4.740 -0.000 0.000 0.248 488 N C -1.184 174.381 175.510 0.092 0.000 1.083 488 N CA 1.074 54.171 53.050 0.079 0.000 0.703 488 N CB -0.795 37.741 38.487 0.083 0.000 1.005 488 N HN 0.239 nan 8.380 nan 0.000 0.550 489 V N 0.225 120.196 119.914 0.094 0.000 2.487 489 V HA 0.500 4.620 4.120 -0.000 0.000 0.298 489 V C 0.255 176.408 176.094 0.100 0.000 1.028 489 V CA -0.764 61.605 62.300 0.115 0.000 0.860 489 V CB 1.771 33.674 31.823 0.134 0.000 0.991 489 V HN 0.259 nan 8.190 nan 0.000 0.427 490 S N 3.912 119.667 115.700 0.092 0.000 2.475 490 S HA 0.602 5.072 4.470 -0.000 0.000 0.281 490 S C -0.556 174.090 174.600 0.077 0.000 1.198 490 S CA -0.406 57.837 58.200 0.071 0.000 1.063 490 S CB 0.893 64.122 63.200 0.048 0.000 0.972 490 S HN 0.512 nan 8.310 nan 0.000 0.486 491 V N 7.509 127.466 119.914 0.070 0.000 2.357 491 V HA 0.496 4.616 4.120 -0.000 0.000 0.284 491 V C -0.348 175.762 176.094 0.027 0.000 1.018 491 V CA -0.537 61.804 62.300 0.068 0.000 0.841 491 V CB 0.937 32.816 31.823 0.094 0.000 0.991 491 V HN 0.789 nan 8.190 nan 0.000 0.437 492 I N 4.971 125.537 120.570 -0.007 0.000 2.418 492 I HA 0.572 4.742 4.170 -0.000 0.000 0.287 492 I C 0.046 176.133 176.117 -0.050 0.000 1.008 492 I CA -0.611 60.676 61.300 -0.022 0.000 1.104 492 I CB 1.942 39.922 38.000 -0.034 0.000 1.264 492 I HN 0.485 nan 8.210 nan 0.000 0.438 493 R N 7.953 128.436 120.500 -0.028 0.000 2.396 493 R HA 0.396 4.736 4.340 -0.000 0.000 0.292 493 R C -2.605 173.685 176.300 -0.016 0.000 1.240 493 R CA -1.595 54.480 56.100 -0.041 0.000 1.270 493 R CB 1.040 31.328 30.300 -0.020 0.000 1.108 493 R HN 0.304 nan 8.270 nan 0.000 0.573 494 P HA 0.058 nan 4.420 nan 0.000 0.271 494 P C -0.109 177.190 177.300 -0.003 0.000 1.218 494 P CA 0.101 63.204 63.100 0.005 0.000 0.780 494 P CB 1.671 33.373 31.700 0.003 0.000 0.901 495 A N 2.344 125.175 122.820 0.018 0.000 2.132 495 A HA 0.082 4.402 4.320 -0.000 0.000 0.213 495 A C 0.635 178.211 177.584 -0.013 0.000 1.154 495 A CA 1.044 53.083 52.037 0.005 0.000 0.753 495 A CB -0.470 18.543 19.000 0.021 0.000 0.826 495 A HN 0.714 nan 8.150 nan 0.000 0.469 496 D N -5.045 115.341 120.400 -0.023 0.000 2.792 496 D HA 0.274 4.914 4.640 -0.000 0.000 0.335 496 D C 1.008 177.226 176.300 -0.137 0.000 1.353 496 D CA 0.173 54.131 54.000 -0.070 0.000 0.839 496 D CB 0.199 40.977 40.800 -0.036 0.000 1.396 496 D HN -0.038 nan 8.370 nan 0.000 0.479 497 G N -0.080 108.534 108.800 -0.310 0.000 2.446 497 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.217 497 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.217 497 G C 1.081 175.848 174.900 -0.222 0.000 1.168 497 G CA 1.265 45.986 45.100 -0.633 0.000 0.771 497 G HN 0.632 nan 8.290 nan 0.000 0.551 498 N N 0.331 119.022 118.700 -0.016 0.000 2.142 498 N HA -0.044 4.696 4.740 -0.000 0.000 0.186 498 N C 2.103 177.667 175.510 0.090 0.000 1.023 498 N CA 1.072 54.196 53.050 0.122 0.000 0.852 498 N CB -0.112 38.453 38.487 0.130 0.000 0.998 498 N HN 0.396 nan 8.380 nan 0.000 0.424 499 E N 0.368 120.604 120.200 0.061 0.000 2.118 499 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 499 E C 2.072 178.718 176.600 0.076 0.000 0.992 499 E CA 1.348 57.791 56.400 0.072 0.000 0.804 499 E CB -0.083 29.666 29.700 0.081 0.000 0.741 499 E HN 0.460 nan 8.360 nan 0.000 0.458 500 S N 0.309 116.044 115.700 0.058 0.000 2.406 500 S HA -0.087 4.383 4.470 -0.000 0.000 0.228 500 S C 2.192 176.912 174.600 0.200 0.000 1.020 500 S CA 0.800 59.056 58.200 0.093 0.000 0.965 500 S CB -0.328 62.908 63.200 0.059 0.000 0.798 500 S HN 0.034 nan 8.310 nan 0.000 0.488 501 V N 2.589 122.620 119.914 0.195 0.000 2.307 501 V HA -0.083 4.037 4.120 -0.000 0.000 0.245 501 V C 3.207 179.449 176.094 0.246 0.000 1.045 501 V CA 1.680 64.122 62.300 0.236 0.000 1.024 501 V CB -1.538 30.401 31.823 0.194 0.000 0.651 501 V HN 0.671 nan 8.190 nan 0.000 0.449 502 A N 0.011 122.953 122.820 0.203 0.000 1.933 502 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 502 A C 2.417 180.142 177.584 0.235 0.000 1.175 502 A CA 2.143 54.329 52.037 0.248 0.000 0.628 502 A CB -0.764 18.340 19.000 0.174 0.000 0.814 502 A HN 0.574 nan 8.150 nan 0.000 0.444 503 A N -1.728 121.187 122.820 0.160 0.000 1.902 503 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 503 A C 2.016 179.664 177.584 0.107 0.000 1.181 503 A CA 1.319 53.405 52.037 0.082 0.000 0.623 503 A CB -0.894 18.106 19.000 -0.000 0.000 0.818 503 A HN 0.755 nan 8.150 nan 0.000 0.443 504 W N -0.299 121.058 121.300 0.095 0.000 2.363 504 W HA -0.117 4.543 4.660 -0.000 0.000 0.296 504 W C 2.675 179.289 176.519 0.157 0.000 1.212 504 W CA 1.590 58.992 57.345 0.095 0.000 1.260 504 W CB -0.016 29.491 29.460 0.077 0.000 1.131 504 W HN 0.261 nan 8.180 nan 0.000 0.530 505 R N -0.027 120.774 120.500 0.502 0.000 2.083 505 R HA -0.192 4.148 4.340 -0.000 0.000 0.237 505 R C 2.147 178.713 176.300 0.443 0.000 1.137 505 R CA 1.860 58.270 56.100 0.517 0.000 0.951 505 R CB -0.789 29.737 30.300 0.377 0.000 0.851 505 R HN 0.223 nan 8.270 nan 0.000 0.434 506 L N -0.296 121.138 121.223 0.352 0.000 2.079 506 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 506 L C 2.603 179.568 176.870 0.159 0.000 1.081 506 L CA 1.333 56.313 54.840 0.233 0.000 0.752 506 L CB -0.539 41.592 42.059 0.119 0.000 0.896 506 L HN 0.314 nan 8.230 nan 0.000 0.433 507 A N -0.190 122.700 122.820 0.117 0.000 1.873 507 A HA -0.200 4.120 4.320 -0.000 0.000 0.215 507 A C 2.201 179.860 177.584 0.126 0.000 1.186 507 A CA 1.510 53.567 52.037 0.033 0.000 0.616 507 A CB -0.656 18.223 19.000 -0.202 0.000 0.823 507 A HN 0.300 nan 8.150 nan 0.000 0.442 508 L N -0.081 121.287 121.223 0.242 0.000 2.141 508 L HA -0.076 4.264 4.340 -0.000 0.000 0.209 508 L C 2.016 178.929 176.870 0.072 0.000 1.094 508 L CA 1.909 56.841 54.840 0.153 0.000 0.763 508 L CB -0.376 41.687 42.059 0.006 0.000 0.908 508 L HN 0.488 nan 8.230 nan 0.000 0.437 509 E N -1.360 118.931 120.200 0.153 0.000 2.435 509 E HA -0.022 4.328 4.350 -0.000 0.000 0.195 509 E C 0.870 177.538 176.600 0.113 0.000 1.029 509 E CA 0.030 56.521 56.400 0.151 0.000 0.865 509 E CB 0.101 29.949 29.700 0.247 0.000 0.833 509 E HN 0.344 nan 8.360 nan 0.000 0.510 510 S N 0.200 115.960 115.700 0.099 0.000 2.563 510 S HA -0.019 4.451 4.470 -0.000 0.000 0.284 510 S C 1.181 175.825 174.600 0.073 0.000 1.331 510 S CA 0.608 58.855 58.200 0.079 0.000 1.047 510 S CB 0.729 63.964 63.200 0.059 0.000 0.859 510 S HN 0.330 nan 8.310 nan 0.000 0.514 511 T N 0.030 114.627 114.554 0.073 0.000 2.958 511 T HA 0.195 4.545 4.350 -0.000 0.000 0.256 511 T C 0.683 175.432 174.700 0.082 0.000 0.983 511 T CA 0.241 62.386 62.100 0.075 0.000 0.924 511 T CB -0.445 68.466 68.868 0.071 0.000 1.136 511 T HN 0.812 nan 8.240 nan 0.000 0.506 512 N N 0.757 119.503 118.700 0.078 0.000 2.142 512 N HA 0.183 4.923 4.740 -0.000 0.000 0.233 512 N C -0.494 175.067 175.510 0.086 0.000 1.335 512 N CA -0.758 52.344 53.050 0.086 0.000 0.837 512 N CB 0.780 39.313 38.487 0.076 0.000 1.238 512 N HN 0.455 nan 8.380 nan 0.000 0.501 513 K N 0.057 120.503 120.400 0.075 0.000 2.562 513 K HA 0.495 4.815 4.320 -0.000 0.000 0.267 513 K C -3.436 173.198 176.600 0.058 0.000 0.938 513 K CA -1.569 54.763 56.287 0.076 0.000 0.840 513 K CB 2.417 34.961 32.500 0.074 0.000 1.390 513 K HN -0.279 nan 8.250 nan 0.000 0.428 514 P HA 0.101 nan 4.420 nan 0.000 0.274 514 P C -0.827 176.497 177.300 0.040 0.000 1.231 514 P CA -0.152 62.962 63.100 0.025 0.000 0.790 514 P CB 0.833 32.612 31.700 0.132 0.000 0.951 515 T N 0.817 115.343 114.554 -0.047 0.000 2.812 515 T HA 0.561 4.911 4.350 -0.000 0.000 0.282 515 T C -0.315 174.375 174.700 -0.018 0.000 0.990 515 T CA -0.381 61.702 62.100 -0.028 0.000 0.960 515 T CB 1.264 70.075 68.868 -0.094 0.000 0.948 515 T HN 0.419 nan 8.240 nan 0.000 0.438 516 A N 4.242 127.124 122.820 0.104 0.000 2.252 516 A HA 0.690 5.010 4.320 -0.000 0.000 0.309 516 A C -0.168 177.391 177.584 -0.041 0.000 1.285 516 A CA -0.628 51.489 52.037 0.133 0.000 0.900 516 A CB -0.015 19.202 19.000 0.362 0.000 1.157 516 A HN 0.869 nan 8.150 nan 0.000 0.536 517 L N 3.380 124.488 121.223 -0.192 0.000 2.265 517 L HA 0.411 4.751 4.340 -0.000 0.000 0.288 517 L C -0.599 176.170 176.870 -0.169 0.000 1.058 517 L CA -0.641 54.061 54.840 -0.230 0.000 0.809 517 L CB 1.439 43.253 42.059 -0.409 0.000 1.179 517 L HN 0.390 nan 8.230 nan 0.000 0.429 518 V N 5.855 125.651 119.914 -0.197 0.000 2.357 518 V HA 0.479 4.599 4.120 -0.000 0.000 0.284 518 V C 0.071 176.052 176.094 -0.188 0.000 1.018 518 V CA -0.302 61.801 62.300 -0.328 0.000 0.841 518 V CB 1.514 33.029 31.823 -0.513 0.000 0.991 518 V HN 0.538 nan 8.190 nan 0.000 0.437 519 L N 3.864 125.018 121.223 -0.115 0.000 2.333 519 L HA 0.722 5.062 4.340 -0.000 0.000 0.263 519 L C 0.355 177.206 176.870 -0.033 0.000 1.014 519 L CA -0.662 54.153 54.840 -0.043 0.000 0.820 519 L CB 2.752 44.822 42.059 0.018 0.000 1.352 519 L HN 0.680 nan 8.230 nan 0.000 0.421 520 T N -2.751 111.771 114.554 -0.053 0.000 2.922 520 T HA 0.309 4.659 4.350 -0.000 0.000 0.285 520 T C 0.739 175.347 174.700 -0.153 0.000 1.005 520 T CA -0.642 61.401 62.100 -0.095 0.000 1.061 520 T CB 1.979 70.791 68.868 -0.092 0.000 1.007 520 T HN 0.719 nan 8.240 nan 0.000 0.502 521 R N 1.038 121.367 120.500 -0.285 0.000 2.090 521 R HA -0.017 4.323 4.340 -0.000 0.000 0.228 521 R C 1.048 177.232 176.300 -0.193 0.000 1.110 521 R CA 0.617 56.474 56.100 -0.404 0.000 0.973 521 R CB 0.011 29.930 30.300 -0.635 0.000 0.869 521 R HN 0.865 nan 8.270 nan 0.000 0.440 522 Q N 1.424 121.136 119.800 -0.146 0.000 2.221 522 Q HA 0.144 4.484 4.340 -0.000 0.000 0.242 522 Q C -1.166 174.794 176.000 -0.067 0.000 0.940 522 Q CA -0.474 55.273 55.803 -0.092 0.000 0.896 522 Q CB 1.144 29.832 28.738 -0.084 0.000 1.226 522 Q HN -0.041 nan 8.270 nan 0.000 0.463 523 D N 1.644 122.017 120.400 -0.045 0.000 2.414 523 D HA 0.318 4.958 4.640 -0.000 0.000 0.242 523 D C -0.269 176.008 176.300 -0.038 0.000 1.129 523 D CA 0.178 54.158 54.000 -0.034 0.000 0.885 523 D CB 0.587 41.378 40.800 -0.014 0.000 1.198 523 D HN 0.379 nan 8.370 nan 0.000 0.437 524 L N 3.173 124.370 121.223 -0.044 0.000 2.354 524 L HA 0.470 4.810 4.340 -0.000 0.000 0.269 524 L C -2.241 174.611 176.870 -0.030 0.000 1.005 524 L CA -2.030 52.785 54.840 -0.040 0.000 0.819 524 L CB 2.247 44.274 42.059 -0.053 0.000 1.311 524 L HN 0.157 nan 8.230 nan 0.000 0.423 525 P HA 0.112 nan 4.420 nan 0.000 0.277 525 P C -0.675 176.627 177.300 0.002 0.000 1.240 525 P CA -0.311 62.789 63.100 0.001 0.000 0.798 525 P CB 0.775 32.478 31.700 0.006 0.000 0.979 526 T N 2.957 117.525 114.554 0.023 0.000 2.814 526 T HA 0.253 4.603 4.350 -0.000 0.000 0.297 526 T C 0.462 175.187 174.700 0.041 0.000 0.956 526 T CA -0.063 62.060 62.100 0.038 0.000 1.123 526 T CB -0.223 68.695 68.868 0.083 0.000 0.902 526 T HN 0.187 nan 8.240 nan 0.000 0.528 527 L N 3.812 125.061 121.223 0.044 0.000 2.292 527 L HA 0.284 4.624 4.340 -0.000 0.000 0.284 527 L C 1.718 178.625 176.870 0.062 0.000 1.065 527 L CA -0.471 54.398 54.840 0.049 0.000 0.806 527 L CB 0.884 42.976 42.059 0.056 0.000 1.175 527 L HN 0.754 nan 8.230 nan 0.000 0.431 528 E N 2.740 122.971 120.200 0.052 0.000 2.118 528 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 528 E C 1.820 178.463 176.600 0.071 0.000 0.992 528 E CA 1.311 57.743 56.400 0.054 0.000 0.804 528 E CB 0.032 29.757 29.700 0.041 0.000 0.741 528 E HN 0.980 nan 8.360 nan 0.000 0.458 529 G N 0.311 109.163 108.800 0.087 0.000 2.744 529 G HA2 0.005 3.965 3.960 -0.000 0.000 0.211 529 G HA3 0.005 3.965 3.960 -0.000 0.000 0.211 529 G C 1.300 176.323 174.900 0.205 0.000 1.143 529 G CA 0.522 45.700 45.100 0.130 0.000 0.788 529 G HN 0.284 nan 8.290 nan 0.000 0.534 530 A N -0.090 122.833 122.820 0.171 0.000 2.303 530 A HA 0.390 4.710 4.320 -0.000 0.000 0.217 530 A C 1.934 179.562 177.584 0.074 0.000 1.205 530 A CA 1.116 53.252 52.037 0.165 0.000 0.875 530 A CB 0.040 19.157 19.000 0.196 0.000 0.910 530 A HN 0.245 nan 8.150 nan 0.000 0.501 531 K N 1.079 121.522 120.400 0.072 0.000 2.057 531 K HA -0.054 4.266 4.320 -0.000 0.000 0.206 531 K C -0.435 176.187 176.600 0.036 0.000 1.050 531 K CA 1.266 57.588 56.287 0.058 0.000 0.935 531 K CB -0.042 32.492 32.500 0.057 0.000 0.715 531 K HN 0.315 nan 8.250 nan 0.000 0.439 532 D N 0.916 121.332 120.400 0.026 0.000 2.210 532 D HA 0.104 4.744 4.640 -0.000 0.000 0.249 532 D C -0.381 175.913 176.300 -0.009 0.000 1.062 532 D CA 0.123 54.131 54.000 0.013 0.000 0.891 532 D CB 1.302 42.112 40.800 0.017 0.000 1.186 532 D HN 0.185 nan 8.370 nan 0.000 0.432 533 D N 0.550 120.947 120.400 -0.006 0.000 2.870 533 D HA -0.173 4.467 4.640 -0.000 0.000 0.228 533 D C 0.792 177.064 176.300 -0.047 0.000 1.147 533 D CA 1.043 55.035 54.000 -0.013 0.000 0.757 533 D CB -0.905 39.881 40.800 -0.023 0.000 1.091 533 D HN 0.363 nan 8.370 nan 0.000 0.429 534 T N -1.398 113.141 114.554 -0.025 0.000 2.720 534 T HA -0.239 4.111 4.350 -0.000 0.000 0.268 534 T C 1.488 176.168 174.700 -0.033 0.000 1.037 534 T CA 1.509 63.574 62.100 -0.058 0.000 1.144 534 T CB -0.423 68.455 68.868 0.017 0.000 0.864 534 T HN 0.494 nan 8.240 nan 0.000 0.444 535 Y N 2.313 122.568 120.300 -0.076 0.000 2.128 535 Y HA -0.170 4.380 4.550 -0.000 0.000 0.284 535 Y C 2.408 178.263 175.900 -0.074 0.000 1.154 535 Y CA 1.448 59.515 58.100 -0.056 0.000 1.149 535 Y CB -0.236 38.197 38.460 -0.045 0.000 0.976 535 Y HN 0.068 nan 8.280 nan 0.000 0.505 536 E N 0.509 120.636 120.200 -0.122 0.000 2.106 536 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 536 E C 2.063 178.511 176.600 -0.254 0.000 0.984 536 E CA 1.226 57.498 56.400 -0.214 0.000 0.806 536 E CB -0.187 29.473 29.700 -0.066 0.000 0.750 536 E HN 0.559 nan 8.360 nan 0.000 0.458 537 K N 0.313 120.533 120.400 -0.300 0.000 2.025 537 K HA -0.062 4.258 4.320 -0.000 0.000 0.207 537 K C 2.229 178.627 176.600 -0.336 0.000 1.049 537 K CA 1.094 57.089 56.287 -0.487 0.000 0.933 537 K CB -0.094 31.731 32.500 -1.124 0.000 0.714 537 K HN -0.074 nan 8.250 nan 0.000 0.438 538 V N 1.328 121.077 119.914 -0.274 0.000 2.427 538 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 538 V C 2.248 178.276 176.094 -0.110 0.000 1.051 538 V CA 1.833 64.080 62.300 -0.089 0.000 1.048 538 V CB -0.614 31.181 31.823 -0.047 0.000 0.666 538 V HN 0.352 nan 8.190 nan 0.000 0.456 539 A N -0.450 122.210 122.820 -0.268 0.000 2.032 539 A HA -0.218 4.102 4.320 -0.000 0.000 0.221 539 A C 2.166 179.652 177.584 -0.163 0.000 1.165 539 A CA 1.560 53.423 52.037 -0.290 0.000 0.645 539 A CB -0.343 18.350 19.000 -0.512 0.000 0.807 539 A HN 0.396 nan 8.150 nan 0.000 0.453 540 K N -1.584 118.737 120.400 -0.131 0.000 2.432 540 K HA 0.096 4.416 4.320 -0.000 0.000 0.196 540 K C 1.590 178.283 176.600 0.155 0.000 1.038 540 K CA 0.879 57.107 56.287 -0.098 0.000 0.986 540 K CB -0.297 32.087 32.500 -0.194 0.000 0.782 540 K HN 0.730 nan 8.250 nan 0.000 0.485 541 G N 0.823 109.714 108.800 0.151 0.000 2.498 541 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.229 541 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.229 541 G C 0.227 175.233 174.900 0.176 0.000 1.156 541 G CA 0.314 45.530 45.100 0.194 0.000 0.680 541 G HN 0.665 nan 8.290 nan 0.000 0.512 542 A N -0.819 122.152 122.820 0.251 0.000 2.549 542 A HA 0.953 5.273 4.320 -0.000 0.000 0.297 542 A C -0.821 176.929 177.584 0.276 0.000 1.061 542 A CA 0.161 52.188 52.037 -0.018 0.000 0.690 542 A CB 1.380 19.917 19.000 -0.771 0.000 1.287 542 A HN 2.019 nan 8.150 nan 0.000 0.402 543 Y N -1.277 119.030 120.300 0.012 0.000 2.624 543 Y HA 0.636 5.186 4.550 0.000 0.000 0.334 543 Y C -1.112 174.787 175.900 -0.002 0.000 1.155 543 Y CA -1.526 56.623 58.100 0.083 0.000 1.046 543 Y CB 0.753 39.293 38.460 0.134 0.000 1.316 543 Y HN 0.438 nan 8.280 nan 0.000 0.457 544 V N 3.269 123.199 119.914 0.027 0.000 2.397 544 V HA 0.040 4.160 4.120 -0.000 0.000 0.262 544 V C 0.855 176.936 176.094 -0.021 0.000 1.047 544 V CA 0.238 62.501 62.300 -0.062 0.000 1.003 544 V CB 0.511 32.340 31.823 0.010 0.000 1.037 544 V HN 0.900 nan 8.190 nan 0.000 0.480 545 V N 4.307 124.085 119.914 -0.226 0.000 2.788 545 V HA 0.154 4.274 4.120 -0.000 0.000 0.251 545 V C 1.042 177.141 176.094 0.010 0.000 1.068 545 V CA 1.512 63.764 62.300 -0.081 0.000 1.090 545 V CB 0.930 32.611 31.823 -0.236 0.000 0.710 545 V HN 0.777 nan 8.190 nan 0.000 0.467 546 S N 0.114 115.798 115.700 -0.028 0.000 2.673 546 S HA 0.718 5.188 4.470 -0.000 0.000 0.256 546 S C -0.262 174.332 174.600 -0.011 0.000 1.141 546 S CA -0.126 58.070 58.200 -0.006 0.000 1.109 546 S CB 0.887 64.079 63.200 -0.014 0.000 1.101 546 S HN 0.715 nan 8.310 nan 0.000 0.471 547 A N 3.376 126.199 122.820 0.005 0.000 2.425 547 A HA 0.616 4.936 4.320 -0.000 0.000 0.242 547 A C 0.844 178.426 177.584 -0.004 0.000 1.077 547 A CA -0.080 51.959 52.037 0.003 0.000 0.781 547 A CB 0.025 19.034 19.000 0.015 0.000 1.020 547 A HN 1.301 nan 8.150 nan 0.000 0.494 548 S N 1.252 116.948 115.700 -0.007 0.000 2.600 548 S HA 0.226 4.696 4.470 -0.000 0.000 0.265 548 S C 0.745 175.344 174.600 -0.003 0.000 1.325 548 S CA -0.357 57.838 58.200 -0.008 0.000 1.002 548 S CB 0.670 63.865 63.200 -0.009 0.000 0.921 548 S HN 0.595 nan 8.310 nan 0.000 0.554 549 K N 0.932 121.330 120.400 -0.004 0.000 2.062 549 K HA 0.137 4.457 4.320 -0.000 0.000 0.205 549 K C 0.465 177.065 176.600 -0.000 0.000 1.051 549 K CA 1.218 57.504 56.287 -0.002 0.000 0.941 549 K CB -0.459 32.039 32.500 -0.003 0.000 0.719 549 K HN 0.618 nan 8.250 nan 0.000 0.440 550 K N 1.136 121.535 120.400 -0.002 0.000 2.154 550 K HA 0.097 4.417 4.320 -0.000 0.000 0.264 550 K C 1.139 177.739 176.600 0.001 0.000 1.008 550 K CA -0.119 56.168 56.287 -0.000 0.000 0.937 550 K CB 0.771 33.270 32.500 -0.002 0.000 1.002 550 K HN 0.026 nan 8.250 nan 0.000 0.469 551 E N 0.408 120.609 120.200 0.003 0.000 2.153 551 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 551 E C -0.157 176.445 176.600 0.004 0.000 0.988 551 E CA 1.066 57.468 56.400 0.004 0.000 0.811 551 E CB 0.190 29.893 29.700 0.006 0.000 0.746 551 E HN 0.419 nan 8.360 nan 0.000 0.466 552 T N 1.205 115.761 114.554 0.003 0.000 2.809 552 T HA 0.472 4.822 4.350 -0.000 0.000 0.296 552 T C -0.388 174.313 174.700 0.001 0.000 1.015 552 T CA -0.537 61.565 62.100 0.003 0.000 0.954 552 T CB 1.414 70.284 68.868 0.004 0.000 0.950 552 T HN 0.115 nan 8.240 nan 0.000 0.450 553 A N 2.518 125.338 122.820 -0.001 0.000 2.425 553 A HA 0.288 4.608 4.320 -0.000 0.000 0.242 553 A C 1.168 178.751 177.584 -0.003 0.000 1.077 553 A CA -0.350 51.685 52.037 -0.004 0.000 0.781 553 A CB 0.197 19.193 19.000 -0.006 0.000 1.020 553 A HN 0.770 nan 8.150 nan 0.000 0.494 554 D N -0.664 119.732 120.400 -0.008 0.000 2.183 554 D HA 0.071 4.711 4.640 -0.000 0.000 0.203 554 D C 0.412 176.709 176.300 -0.006 0.000 0.969 554 D CA 1.637 55.632 54.000 -0.008 0.000 0.842 554 D CB 0.204 40.994 40.800 -0.016 0.000 0.957 554 D HN 0.280 nan 8.370 nan 0.000 0.484 555 V N 0.143 120.052 119.914 -0.008 0.000 3.120 555 V HA 0.365 4.485 4.120 -0.000 0.000 0.303 555 V C -1.697 174.397 176.094 0.001 0.000 1.238 555 V CA -0.886 61.414 62.300 -0.000 0.000 1.008 555 V CB 2.496 34.310 31.823 -0.014 0.000 1.064 555 V HN -0.153 nan 8.190 nan 0.000 0.434 556 I N 5.871 126.451 120.570 0.017 0.000 2.378 556 I HA 0.452 4.622 4.170 -0.000 0.000 0.291 556 I C -0.621 175.509 176.117 0.022 0.000 0.992 556 I CA -0.565 60.740 61.300 0.007 0.000 1.154 556 I CB 1.632 39.636 38.000 0.007 0.000 1.315 556 I HN 0.366 nan 8.210 nan 0.000 0.448 557 L N 7.070 128.293 121.223 -0.001 0.000 2.264 557 L HA 0.475 4.815 4.340 -0.000 0.000 0.289 557 L C -0.803 176.039 176.870 -0.048 0.000 1.044 557 L CA -0.698 54.150 54.840 0.012 0.000 0.807 557 L CB 1.047 43.107 42.059 0.002 0.000 1.192 557 L HN 0.379 nan 8.230 nan 0.000 0.425 558 L N 3.607 124.781 121.223 -0.081 0.000 2.317 558 L HA 0.877 5.217 4.340 -0.000 0.000 0.281 558 L C 0.060 176.801 176.870 -0.215 0.000 1.024 558 L CA 0.075 54.830 54.840 -0.142 0.000 0.810 558 L CB 1.789 43.781 42.059 -0.111 0.000 1.240 558 L HN 0.747 nan 8.230 nan 0.000 0.427 559 A N 0.968 123.696 122.820 -0.154 0.000 2.602 559 A HA 0.926 5.246 4.320 -0.000 0.000 0.290 559 A C -0.708 176.856 177.584 -0.033 0.000 1.114 559 A CA -0.169 51.789 52.037 -0.132 0.000 0.683 559 A CB 1.901 20.848 19.000 -0.087 0.000 1.281 559 A HN 0.644 nan 8.150 nan 0.000 0.416 560 T N -2.189 112.374 114.554 0.015 0.000 2.883 560 T HA 0.744 5.094 4.350 -0.000 0.000 0.296 560 T C 0.925 175.635 174.700 0.016 0.000 1.117 560 T CA 0.627 62.757 62.100 0.050 0.000 1.006 560 T CB 0.981 69.940 68.868 0.151 0.000 1.191 560 T HN 2.678 nan 8.240 nan 0.000 0.508 561 G N 2.118 110.923 108.800 0.008 0.000 2.661 561 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.327 561 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.327 561 G C 1.353 176.237 174.900 -0.027 0.000 1.320 561 G CA 2.078 47.170 45.100 -0.013 0.000 0.997 561 G HN 2.158 nan 8.290 nan 0.000 0.543 562 S N -0.096 115.577 115.700 -0.044 0.000 2.493 562 S HA -0.009 4.461 4.470 -0.000 0.000 0.243 562 S C 1.681 176.256 174.600 -0.042 0.000 0.991 562 S CA 2.180 60.349 58.200 -0.052 0.000 0.957 562 S CB 0.008 63.162 63.200 -0.076 0.000 0.756 562 S HN 0.614 nan 8.310 nan 0.000 0.521 563 E N 0.674 120.852 120.200 -0.036 0.000 2.474 563 E HA 0.220 4.570 4.350 -0.000 0.000 0.194 563 E C 1.758 178.353 176.600 -0.007 0.000 1.041 563 E CA 0.074 56.468 56.400 -0.009 0.000 0.874 563 E CB -0.146 29.553 29.700 -0.002 0.000 0.914 563 E HN 0.394 nan 8.360 nan 0.000 0.498 564 V N 0.885 120.785 119.914 -0.022 0.000 2.295 564 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 564 V C 2.254 178.336 176.094 -0.020 0.000 1.049 564 V CA 2.030 64.310 62.300 -0.033 0.000 1.024 564 V CB -0.804 30.993 31.823 -0.044 0.000 0.648 564 V HN 0.392 nan 8.190 nan 0.000 0.447 565 S N 0.736 116.430 115.700 -0.011 0.000 2.370 565 S HA -0.229 4.241 4.470 -0.000 0.000 0.226 565 S C 1.969 176.570 174.600 0.002 0.000 1.033 565 S CA 1.740 59.937 58.200 -0.004 0.000 1.011 565 S CB -0.726 62.472 63.200 -0.003 0.000 0.852 565 S HN 0.408 nan 8.310 nan 0.000 0.457 566 L N 2.395 123.625 121.223 0.012 0.000 2.046 566 L HA 0.116 4.456 4.340 -0.000 0.000 0.208 566 L C 2.662 179.541 176.870 0.014 0.000 1.077 566 L CA 1.761 56.618 54.840 0.028 0.000 0.747 566 L CB -1.391 40.710 42.059 0.069 0.000 0.896 566 L HN 0.340 nan 8.230 nan 0.000 0.432 567 A N -1.123 121.701 122.820 0.007 0.000 1.902 567 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 567 A C 2.263 179.834 177.584 -0.021 0.000 1.181 567 A CA 2.035 54.068 52.037 -0.008 0.000 0.623 567 A CB -1.113 17.874 19.000 -0.022 0.000 0.818 567 A HN 0.326 nan 8.150 nan 0.000 0.443 568 V N -0.326 119.576 119.914 -0.020 0.000 2.358 568 V HA -0.230 3.889 4.120 -0.000 0.000 0.246 568 V C 2.495 178.579 176.094 -0.016 0.000 1.047 568 V CA 2.333 64.621 62.300 -0.019 0.000 1.035 568 V CB -0.766 31.049 31.823 -0.013 0.000 0.658 568 V HN 0.589 nan 8.190 nan 0.000 0.452 569 E N 0.433 120.627 120.200 -0.011 0.000 2.058 569 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 569 E C 2.251 178.838 176.600 -0.022 0.000 0.997 569 E CA 1.620 58.012 56.400 -0.012 0.000 0.801 569 E CB -0.525 29.172 29.700 -0.005 0.000 0.746 569 E HN 0.571 nan 8.360 nan 0.000 0.450 570 A N 0.457 123.260 122.820 -0.028 0.000 1.969 570 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 570 A C 2.141 179.693 177.584 -0.054 0.000 1.169 570 A CA 1.738 53.746 52.037 -0.049 0.000 0.635 570 A CB -0.575 18.387 19.000 -0.062 0.000 0.810 570 A HN 0.350 nan 8.150 nan 0.000 0.445 571 Q N 0.047 119.821 119.800 -0.043 0.000 2.050 571 Q HA -0.255 4.085 4.340 -0.000 0.000 0.202 571 Q C 2.141 178.120 176.000 -0.035 0.000 0.980 571 Q CA 2.106 57.885 55.803 -0.041 0.000 0.840 571 Q CB -0.230 28.488 28.738 -0.033 0.000 0.898 571 Q HN 0.680 nan 8.270 nan 0.000 0.424 572 K N -0.243 120.140 120.400 -0.027 0.000 2.063 572 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 572 K C 1.955 178.539 176.600 -0.027 0.000 1.048 572 K CA 1.374 57.647 56.287 -0.022 0.000 0.928 572 K CB -0.276 32.214 32.500 -0.016 0.000 0.713 572 K HN 0.293 nan 8.250 nan 0.000 0.442 573 A N 1.145 123.945 122.820 -0.033 0.000 1.898 573 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 573 A C 2.124 179.681 177.584 -0.044 0.000 1.181 573 A CA 1.209 53.224 52.037 -0.037 0.000 0.620 573 A CB -0.572 18.403 19.000 -0.042 0.000 0.819 573 A HN 0.329 nan 8.150 nan 0.000 0.442 574 L N -0.668 120.523 121.223 -0.054 0.000 2.083 574 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 574 L C 3.069 179.913 176.870 -0.044 0.000 1.083 574 L CA 1.018 55.823 54.840 -0.059 0.000 0.752 574 L CB -0.485 41.531 42.059 -0.072 0.000 0.899 574 L HN 0.443 nan 8.230 nan 0.000 0.433 575 A N -0.431 122.368 122.820 -0.035 0.000 1.902 575 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 575 A C 2.315 179.884 177.584 -0.024 0.000 1.181 575 A CA 1.704 53.725 52.037 -0.027 0.000 0.623 575 A CB -0.820 18.167 19.000 -0.022 0.000 0.818 575 A HN 0.199 nan 8.150 nan 0.000 0.443 576 V N 0.664 120.563 119.914 -0.025 0.000 2.469 576 V HA -0.194 3.926 4.120 -0.000 0.000 0.251 576 V C 1.130 177.210 176.094 -0.024 0.000 1.064 576 V CA 2.164 64.451 62.300 -0.022 0.000 1.066 576 V CB -0.633 31.177 31.823 -0.022 0.000 0.667 576 V HN 0.494 nan 8.190 nan 0.000 0.461 577 D N -0.337 120.045 120.400 -0.030 0.000 2.342 577 D HA 0.282 4.922 4.640 -0.000 0.000 0.221 577 D C 1.590 177.872 176.300 -0.029 0.000 1.101 577 D CA 0.886 54.867 54.000 -0.031 0.000 0.837 577 D CB 0.365 41.142 40.800 -0.039 0.000 0.938 577 D HN 0.460 nan 8.370 nan 0.000 0.508 578 G N 0.215 108.999 108.800 -0.026 0.000 2.136 578 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.242 578 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.242 578 G C 0.169 175.053 174.900 -0.026 0.000 0.989 578 G CA 0.071 45.157 45.100 -0.023 0.000 0.682 578 G HN 0.282 nan 8.290 nan 0.000 0.522 579 V N 0.671 120.565 119.914 -0.032 0.000 2.398 579 V HA 0.539 4.659 4.120 -0.000 0.000 0.286 579 V C -0.274 175.800 176.094 -0.033 0.000 1.026 579 V CA -0.608 61.671 62.300 -0.036 0.000 0.868 579 V CB 1.873 33.666 31.823 -0.050 0.000 0.982 579 V HN 0.310 nan 8.190 nan 0.000 0.443 580 D N 4.274 124.658 120.400 -0.027 0.000 2.443 580 D HA 0.582 5.221 4.640 -0.000 0.000 0.221 580 D C -0.029 176.257 176.300 -0.023 0.000 1.097 580 D CA 0.009 53.995 54.000 -0.022 0.000 0.865 580 D CB 1.345 42.136 40.800 -0.015 0.000 1.034 580 D HN 0.732 nan 8.370 nan 0.000 0.511 581 A N 2.932 125.736 122.820 -0.028 0.000 2.312 581 A HA 0.598 4.918 4.320 -0.000 0.000 0.326 581 A C -0.009 177.559 177.584 -0.025 0.000 1.172 581 A CA -0.719 51.301 52.037 -0.029 0.000 0.821 581 A CB 1.386 20.361 19.000 -0.041 0.000 1.166 581 A HN 0.431 nan 8.150 nan 0.000 0.493 582 S N 0.665 116.351 115.700 -0.024 0.000 2.541 582 S HA 0.569 5.039 4.470 -0.000 0.000 0.283 582 S C -0.547 174.028 174.600 -0.043 0.000 1.196 582 S CA -0.419 57.764 58.200 -0.029 0.000 1.062 582 S CB 0.578 63.762 63.200 -0.026 0.000 1.009 582 S HN 0.728 nan 8.310 nan 0.000 0.502 583 V N 5.247 125.127 119.914 -0.057 0.000 2.417 583 V HA 0.503 4.623 4.120 -0.000 0.000 0.291 583 V C -0.439 175.572 176.094 -0.137 0.000 1.024 583 V CA -0.693 61.557 62.300 -0.083 0.000 0.861 583 V CB 1.555 33.334 31.823 -0.073 0.000 0.985 583 V HN 0.701 nan 8.190 nan 0.000 0.436 584 V N 3.914 123.727 119.914 -0.168 0.000 2.417 584 V HA 0.493 4.613 4.120 -0.000 0.000 0.291 584 V C 0.394 176.302 176.094 -0.310 0.000 1.024 584 V CA -0.042 62.102 62.300 -0.260 0.000 0.861 584 V CB 1.834 33.517 31.823 -0.233 0.000 0.985 584 V HN 0.944 nan 8.190 nan 0.000 0.436 591 R N 0.019 120.579 120.500 0.100 0.000 2.115 591 R HA 0.096 4.436 4.340 -0.000 0.000 0.230 591 R C 2.185 178.566 176.300 0.134 0.000 1.111 591 R CA 1.244 57.395 56.100 0.084 0.000 0.976 591 R CB -0.349 29.986 30.300 0.058 0.000 0.870 591 R HN 0.119 nan 8.270 nan 0.000 0.445 592 F N 2.461 122.436 119.950 0.041 0.000 2.146 592 F HA -0.123 4.404 4.527 0.000 0.000 0.298 592 F C 2.100 177.967 175.800 0.112 0.000 1.096 592 F CA 1.383 59.436 58.000 0.088 0.000 1.275 592 F CB 0.023 39.057 39.000 0.058 0.000 1.008 592 F HN -0.131 nan 8.300 nan 0.000 0.480 593 E N 0.379 120.627 120.200 0.080 0.000 2.204 593 E HA -0.140 4.210 4.350 -0.000 0.000 0.195 593 E C 2.209 178.770 176.600 -0.064 0.000 0.990 593 E CA 1.014 57.405 56.400 -0.015 0.000 0.821 593 E CB -0.614 29.136 29.700 0.083 0.000 0.750 593 E HN 0.468 nan 8.360 nan 0.000 0.477 594 A N 0.963 123.763 122.820 -0.034 0.000 2.206 594 A HA -0.051 4.269 4.320 -0.000 0.000 0.211 594 A C 1.105 178.650 177.584 -0.065 0.000 1.158 594 A CA 0.234 52.251 52.037 -0.034 0.000 0.761 594 A CB 0.085 19.080 19.000 -0.009 0.000 0.801 594 A HN 0.020 nan 8.150 nan 0.000 0.473 595 Q N 0.624 120.357 119.800 -0.113 0.000 2.318 595 Q HA 0.295 4.635 4.340 -0.000 0.000 0.222 595 Q C 0.510 176.472 176.000 -0.063 0.000 1.003 595 Q CA 0.317 56.060 55.803 -0.100 0.000 0.936 595 Q CB 0.115 28.801 28.738 -0.087 0.000 1.204 595 Q HN 0.477 nan 8.270 nan 0.000 0.524 596 T N -2.696 111.857 114.554 -0.002 0.000 2.856 596 T HA 0.289 4.639 4.350 -0.000 0.000 0.306 596 T C 1.245 175.954 174.700 0.016 0.000 1.062 596 T CA -0.047 62.063 62.100 0.015 0.000 1.083 596 T CB 0.629 69.523 68.868 0.044 0.000 0.984 596 T HN 0.560 nan 8.240 nan 0.000 0.542 597 A N 0.448 123.269 122.820 0.001 0.000 1.933 597 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 597 A C 2.315 179.910 177.584 0.018 0.000 1.175 597 A CA 1.830 53.865 52.037 -0.004 0.000 0.628 597 A CB -1.055 17.945 19.000 -0.000 0.000 0.814 597 A HN 1.052 nan 8.150 nan 0.000 0.444 598 E N -1.481 118.743 120.200 0.040 0.000 2.058 598 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 598 E C 1.865 178.505 176.600 0.067 0.000 0.997 598 E CA 1.616 58.046 56.400 0.051 0.000 0.801 598 E CB -0.360 29.376 29.700 0.060 0.000 0.746 598 E HN 0.709 nan 8.360 nan 0.000 0.450 599 Y N 1.478 121.784 120.300 0.009 0.000 2.145 599 Y HA -0.188 4.362 4.550 -0.000 0.000 0.286 599 Y C 2.046 177.995 175.900 0.081 0.000 1.145 599 Y CA 2.043 60.167 58.100 0.040 0.000 1.148 599 Y CB -0.034 38.441 38.460 0.024 0.000 0.981 599 Y HN -0.076 nan 8.280 nan 0.000 0.507 600 K N -0.233 120.154 120.400 -0.021 0.000 2.063 600 K HA -0.265 4.055 4.320 -0.000 0.000 0.208 600 K C 2.022 178.654 176.600 0.053 0.000 1.048 600 K CA 1.772 58.045 56.287 -0.023 0.000 0.928 600 K CB -0.249 32.147 32.500 -0.173 0.000 0.713 600 K HN 0.307 nan 8.250 nan 0.000 0.442 601 E N 1.329 121.533 120.200 0.006 0.000 2.153 601 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 601 E C 1.809 178.396 176.600 -0.022 0.000 0.988 601 E CA 1.869 58.278 56.400 0.015 0.000 0.811 601 E CB -0.128 29.580 29.700 0.014 0.000 0.746 601 E HN 0.250 nan 8.360 nan 0.000 0.466 602 S N -1.023 114.623 115.700 -0.091 0.000 2.447 602 S HA -0.086 4.384 4.470 -0.000 0.000 0.233 602 S C 1.899 176.420 174.600 -0.131 0.000 1.006 602 S CA 1.131 59.261 58.200 -0.117 0.000 0.957 602 S CB -0.180 62.925 63.200 -0.160 0.000 0.773 602 S HN 0.149 nan 8.310 nan 0.000 0.507 603 V N 0.624 120.449 119.914 -0.148 0.000 2.672 603 V HA 0.353 4.473 4.120 -0.000 0.000 0.242 603 V C 0.904 176.983 176.094 -0.025 0.000 1.059 603 V CA 0.706 62.948 62.300 -0.098 0.000 1.081 603 V CB -0.321 31.445 31.823 -0.095 0.000 0.752 603 V HN 0.446 nan 8.190 nan 0.000 0.472 604 L N 2.836 124.095 121.223 0.061 0.000 2.502 604 L HA 0.387 4.727 4.340 -0.000 0.000 0.247 604 L C -2.585 174.332 176.870 0.077 0.000 1.180 604 L CA -1.586 53.303 54.840 0.081 0.000 0.956 604 L CB 1.062 43.222 42.059 0.169 0.000 1.282 604 L HN 0.161 nan 8.230 nan 0.000 0.470 605 P HA -0.023 nan 4.420 nan 0.000 0.265 605 P C 0.515 177.841 177.300 0.043 0.000 1.193 605 P CA -0.061 63.059 63.100 0.033 0.000 0.765 605 P CB 0.629 32.340 31.700 0.018 0.000 0.823 606 K N 2.498 122.923 120.400 0.041 0.000 2.280 606 K HA -0.100 4.220 4.320 -0.000 0.000 0.202 606 K C 1.561 178.181 176.600 0.033 0.000 1.047 606 K CA 1.403 57.714 56.287 0.041 0.000 0.942 606 K CB -0.706 31.815 32.500 0.035 0.000 0.739 606 K HN 0.318 nan 8.250 nan 0.000 0.457 607 A N 1.627 124.462 122.820 0.026 0.000 2.066 607 A HA 0.061 4.381 4.320 -0.000 0.000 0.218 607 A C 0.969 178.566 177.584 0.022 0.000 1.157 607 A CA 0.467 52.517 52.037 0.021 0.000 0.670 607 A CB -0.036 18.974 19.000 0.016 0.000 0.804 607 A HN 0.123 nan 8.150 nan 0.000 0.453 608 V N 1.670 121.600 119.914 0.026 0.000 2.320 608 V HA 0.182 4.302 4.120 -0.000 0.000 0.265 608 V C 1.309 177.425 176.094 0.036 0.000 1.048 608 V CA 0.525 62.841 62.300 0.027 0.000 0.865 608 V CB 0.501 32.337 31.823 0.022 0.000 1.043 608 V HN 0.596 nan 8.190 nan 0.000 0.474 609 T N 0.767 115.342 114.554 0.035 0.000 3.044 609 T HA 0.151 4.501 4.350 -0.000 0.000 0.250 609 T C 0.727 175.456 174.700 0.048 0.000 1.081 609 T CA -0.216 61.909 62.100 0.042 0.000 1.040 609 T CB 0.108 68.997 68.868 0.036 0.000 0.962 609 T HN 0.328 nan 8.240 nan 0.000 0.506 610 K N 2.874 123.299 120.400 0.042 0.000 2.262 610 K HA 0.375 4.695 4.320 -0.000 0.000 0.288 610 K C -0.250 176.389 176.600 0.064 0.000 1.090 610 K CA 0.187 56.504 56.287 0.050 0.000 0.918 610 K CB 0.505 33.024 32.500 0.031 0.000 1.139 610 K HN 0.474 nan 8.250 nan 0.000 0.462 611 R N 1.892 122.445 120.500 0.088 0.000 2.628 611 R HA 0.469 4.809 4.340 -0.000 0.000 0.288 611 R C -1.117 175.265 176.300 0.136 0.000 0.980 611 R CA -0.782 55.375 56.100 0.095 0.000 0.891 611 R CB 1.652 32.001 30.300 0.081 0.000 1.188 611 R HN 0.340 nan 8.270 nan 0.000 0.450 612 F N 1.647 121.559 119.950 -0.063 0.000 2.579 612 F HA 0.590 5.117 4.527 -0.000 0.000 0.325 612 F C -0.987 174.706 175.800 -0.179 0.000 1.162 612 F CA -0.421 57.515 58.000 -0.106 0.000 0.946 612 F CB 1.532 40.475 39.000 -0.096 0.000 1.211 612 F HN 0.660 nan 8.300 nan 0.000 0.447 613 A N 6.667 129.122 122.820 -0.609 0.000 2.303 613 A HA 0.858 5.178 4.320 -0.000 0.000 0.317 613 A C -1.004 176.118 177.584 -0.770 0.000 1.149 613 A CA -0.578 51.028 52.037 -0.718 0.000 0.822 613 A CB 0.713 19.087 19.000 -1.044 0.000 1.131 613 A HN 0.704 nan 8.150 nan 0.000 0.493 614 I N 1.249 121.478 120.570 -0.569 0.000 2.468 614 I HA 0.528 4.698 4.170 -0.000 0.000 0.285 614 I C -0.232 175.754 176.117 -0.218 0.000 1.039 614 I CA -0.022 61.130 61.300 -0.247 0.000 1.074 614 I CB 1.819 39.827 38.000 0.014 0.000 1.228 614 I HN 0.949 nan 8.210 nan 0.000 0.436 618 A N -0.441 122.469 122.820 0.151 0.000 2.555 618 A HA 0.465 4.785 4.320 -0.000 0.000 0.233 618 A C 1.812 179.566 177.584 0.284 0.000 1.060 618 A CA 1.321 53.459 52.037 0.169 0.000 0.759 618 A CB -0.023 19.053 19.000 0.127 0.000 0.995 618 A HN 1.966 nan 8.150 nan 0.000 0.506 619 T N 0.289 115.002 114.554 0.266 0.000 3.035 619 T HA -0.020 4.330 4.350 -0.000 0.000 0.268 619 T C 0.481 175.422 174.700 0.402 0.000 1.109 619 T CA 0.454 62.743 62.100 0.315 0.000 1.119 619 T CB -0.527 68.470 68.868 0.214 0.000 0.900 619 T HN 0.423 nan 8.240 nan 0.000 0.503 620 F N 2.779 122.848 119.950 0.198 0.000 2.593 620 F HA 0.340 4.867 4.527 -0.000 0.000 0.393 620 F C 1.568 177.422 175.800 0.090 0.000 1.037 620 F CA 1.315 59.402 58.000 0.145 0.000 1.195 620 F CB -0.160 38.882 39.000 0.069 0.000 1.034 620 F HN 0.418 nan 8.300 nan 0.000 0.552 621 G N 4.229 112.891 108.800 -0.231 0.000 2.232 621 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.226 621 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.226 621 G C 0.792 175.561 174.900 -0.218 0.000 0.996 621 G CA 0.191 45.144 45.100 -0.246 0.000 0.626 621 G HN 0.752 nan 8.290 nan 0.000 0.509 622 W N 0.618 121.861 121.300 -0.096 0.000 2.584 622 W HA 0.264 4.924 4.660 0.000 0.000 0.264 622 W C 2.276 178.655 176.519 -0.232 0.000 1.264 622 W CA 1.259 58.527 57.345 -0.128 0.000 1.306 622 W CB -0.037 29.279 29.460 -0.240 0.000 1.110 622 W HN 0.498 nan 8.180 nan 0.000 0.606 623 H N -0.624 118.504 119.070 0.096 0.000 2.518 623 H HA -0.083 4.473 4.556 -0.000 0.000 0.289 623 H C 2.025 177.298 175.328 -0.091 0.000 1.051 623 H CA 1.390 57.442 56.048 0.006 0.000 1.280 623 H CB -0.243 29.492 29.762 -0.046 0.000 1.380 623 H HN 0.098 nan 8.280 nan 0.000 0.566 624 R N 0.171 120.570 120.500 -0.168 0.000 2.159 624 R HA -0.181 4.159 4.340 -0.000 0.000 0.237 624 R C 0.726 176.736 176.300 -0.484 0.000 1.131 624 R CA 1.556 57.410 56.100 -0.411 0.000 0.982 624 R CB -0.027 29.857 30.300 -0.694 0.000 0.868 624 R HN 0.376 nan 8.270 nan 0.000 0.453 625 Y N -1.353 119.000 120.300 0.090 0.000 2.500 625 Y HA 0.045 4.595 4.550 -0.000 0.000 0.284 625 Y C 2.056 178.018 175.900 0.102 0.000 1.118 625 Y CA 0.406 58.579 58.100 0.122 0.000 1.241 625 Y CB 0.180 38.744 38.460 0.173 0.000 1.171 625 Y HN -0.020 nan 8.280 nan 0.000 0.540 626 V N -2.325 117.706 119.914 0.196 0.000 3.235 626 V HA 0.538 4.658 4.120 -0.000 0.000 0.259 626 V C 1.160 177.312 176.094 0.098 0.000 1.133 626 V CA 0.436 62.803 62.300 0.112 0.000 1.128 626 V CB -0.769 31.066 31.823 0.019 0.000 0.757 626 V HN 0.447 nan 8.190 nan 0.000 0.469 627 G N 0.472 109.333 108.800 0.101 0.000 2.697 627 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.240 627 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.240 627 G C -0.060 174.902 174.900 0.104 0.000 1.346 627 G CA 0.071 45.223 45.100 0.085 0.000 0.887 627 G HN 0.390 nan 8.290 nan 0.000 0.569 628 L N 0.538 121.797 121.223 0.061 0.000 2.240 628 L HA 0.182 4.522 4.340 -0.000 0.000 0.211 628 L C 2.706 179.607 176.870 0.051 0.000 1.106 628 L CA 2.437 57.304 54.840 0.044 0.000 0.793 628 L CB -0.694 41.373 42.059 0.014 0.000 0.927 628 L HN 0.746 nan 8.230 nan 0.000 0.446 629 E N -1.103 119.128 120.200 0.052 0.000 2.442 629 E HA 0.089 4.439 4.350 -0.000 0.000 0.195 629 E C 1.199 177.839 176.600 0.066 0.000 1.030 629 E CA 0.334 56.764 56.400 0.051 0.000 0.869 629 E CB 0.146 29.871 29.700 0.041 0.000 0.857 629 E HN 0.448 nan 8.360 nan 0.000 0.505 630 G N 0.591 109.438 108.800 0.077 0.000 2.525 630 G HA2 0.215 4.175 3.960 -0.000 0.000 0.287 630 G HA3 0.215 4.175 3.960 -0.000 0.000 0.287 630 G C -0.650 174.290 174.900 0.067 0.000 1.350 630 G CA -0.207 44.940 45.100 0.078 0.000 1.039 630 G HN -0.024 nan 8.290 nan 0.000 0.513 631 D N -2.978 117.420 120.400 -0.004 0.000 2.596 631 D HA 0.520 5.160 4.640 -0.000 0.000 0.262 631 D C -1.347 174.636 176.300 -0.527 0.000 1.210 631 D CA -0.295 53.633 54.000 -0.119 0.000 0.873 631 D CB 2.213 43.045 40.800 0.054 0.000 1.408 631 D HN 0.560 nan 8.370 nan 0.000 0.441 632 V N 1.677 121.258 119.914 -0.555 0.000 2.808 632 V HA 0.650 4.770 4.120 -0.000 0.000 0.308 632 V C -1.798 173.933 176.094 -0.605 0.000 1.099 632 V CA -0.804 61.043 62.300 -0.755 0.000 0.920 632 V CB 1.712 33.204 31.823 -0.552 0.000 1.014 632 V HN 0.520 nan 8.190 nan 0.000 0.425 633 L N 7.487 128.303 121.223 -0.677 0.000 2.272 633 L HA 0.943 5.283 4.340 -0.000 0.000 0.284 633 L C 0.297 177.086 176.870 -0.136 0.000 1.045 633 L CA 1.066 55.711 54.840 -0.325 0.000 0.842 633 L CB 0.344 42.275 42.059 -0.214 0.000 1.224 633 L HN 0.908 nan 8.230 nan 0.000 0.430 634 G N 4.706 113.497 108.800 -0.014 0.000 3.262 634 G HA2 0.653 4.613 3.960 -0.000 0.000 0.229 634 G HA3 0.653 4.613 3.960 -0.000 0.000 0.229 634 G C -1.121 173.953 174.900 0.290 0.000 1.280 634 G CA -0.658 44.561 45.100 0.198 0.000 0.951 634 G HN 0.383 nan 8.290 nan 0.000 0.589 635 I N 0.695 121.413 120.570 0.248 0.000 2.497 635 I HA 0.296 4.466 4.170 -0.000 0.000 0.284 635 I C -1.105 175.078 176.117 0.110 0.000 1.060 635 I CA -0.484 60.955 61.300 0.232 0.000 1.071 635 I CB 2.410 40.591 38.000 0.301 0.000 1.216 635 I HN 0.290 nan 8.210 nan 0.000 0.442 636 D N 4.064 124.495 120.400 0.051 0.000 2.501 636 D HA 0.121 4.761 4.640 -0.000 0.000 0.226 636 D C 0.523 176.760 176.300 -0.105 0.000 1.198 636 D CA 0.324 54.311 54.000 -0.022 0.000 0.830 636 D CB 1.003 41.807 40.800 0.007 0.000 1.014 636 D HN 0.623 nan 8.370 nan 0.000 0.496 637 T N -3.138 111.365 114.554 -0.086 0.000 2.910 637 T HA 0.564 4.914 4.350 -0.000 0.000 0.287 637 T C 0.190 174.798 174.700 -0.154 0.000 1.050 637 T CA -0.736 61.279 62.100 -0.142 0.000 1.011 637 T CB 1.235 70.088 68.868 -0.025 0.000 1.195 637 T HN -0.276 nan 8.240 nan 0.000 0.540 638 F N 0.335 120.348 119.950 0.104 0.000 2.390 638 F HA 0.586 5.113 4.527 -0.000 0.000 0.307 638 F C 1.664 177.575 175.800 0.186 0.000 1.227 638 F CA 0.406 58.467 58.000 0.102 0.000 1.179 638 F CB 0.051 39.086 39.000 0.057 0.000 1.280 638 F HN 0.966 nan 8.300 nan 0.000 0.548 639 G N -0.675 108.323 108.800 0.330 0.000 2.666 639 G HA2 0.652 4.612 3.960 -0.000 0.000 0.207 639 G HA3 0.652 4.612 3.960 -0.000 0.000 0.207 639 G C -1.358 173.630 174.900 0.148 0.000 1.481 639 G CA 0.026 45.209 45.100 0.138 0.000 1.071 639 G HN 0.917 nan 8.290 nan 0.000 0.572 640 A N -1.955 120.879 122.820 0.023 0.000 2.601 640 A HA 0.644 4.964 4.320 -0.000 0.000 0.291 640 A C -0.685 176.898 177.584 -0.002 0.000 1.075 640 A CA -0.036 52.031 52.037 0.051 0.000 0.671 640 A CB 1.075 20.139 19.000 0.106 0.000 1.277 640 A HN 1.256 nan 8.150 nan 0.000 0.417 641 S N -0.044 115.661 115.700 0.009 0.000 2.420 641 S HA 0.740 5.210 4.470 -0.000 0.000 0.313 641 S C -0.241 174.355 174.600 -0.007 0.000 1.079 641 S CA 0.498 58.691 58.200 -0.012 0.000 1.104 641 S CB -0.044 63.150 63.200 -0.011 0.000 0.969 641 S HN 2.349 nan 8.310 nan 0.000 0.471 642 A N 5.824 128.632 122.820 -0.021 0.000 2.549 642 A HA 0.685 5.005 4.320 -0.000 0.000 0.291 642 A C -3.289 174.280 177.584 -0.025 0.000 1.034 642 A CA -1.220 50.809 52.037 -0.013 0.000 0.655 642 A CB 0.315 19.316 19.000 0.002 0.000 1.299 642 A HN 0.537 nan 8.150 nan 0.000 0.427 643 P HA 0.147 nan 4.420 nan 0.000 0.264 643 P C 1.219 178.499 177.300 -0.033 0.000 1.183 643 P CA 1.138 64.224 63.100 -0.022 0.000 0.763 643 P CB 0.671 32.364 31.700 -0.010 0.000 0.807 644 G N 2.898 111.670 108.800 -0.046 0.000 2.422 644 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 644 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 644 G C 1.196 176.065 174.900 -0.052 0.000 1.146 644 G CA 0.427 45.488 45.100 -0.067 0.000 0.769 644 G HN 0.526 nan 8.290 nan 0.000 0.547 645 E N 0.107 120.289 120.200 -0.029 0.000 2.110 645 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 645 E C 2.398 179.004 176.600 0.010 0.000 0.988 645 E CA 1.201 57.596 56.400 -0.009 0.000 0.804 645 E CB -0.036 29.663 29.700 -0.003 0.000 0.745 645 E HN 0.340 nan 8.360 nan 0.000 0.458 646 K N 1.288 121.693 120.400 0.007 0.000 2.057 646 K HA -0.073 4.247 4.320 -0.000 0.000 0.207 646 K C 1.005 177.631 176.600 0.043 0.000 1.049 646 K CA 0.748 57.051 56.287 0.027 0.000 0.931 646 K CB -0.261 32.252 32.500 0.022 0.000 0.714 646 K HN -0.027 nan 8.250 nan 0.000 0.440 650 E N 0.565 120.879 120.200 0.189 0.000 2.153 650 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 650 E C 1.046 177.805 176.600 0.266 0.000 0.988 650 E CA 1.127 57.653 56.400 0.209 0.000 0.811 650 E CB -0.002 29.849 29.700 0.252 0.000 0.746 650 E HN 0.305 nan 8.360 nan 0.000 0.466 651 Y N -0.105 120.261 120.300 0.110 0.000 2.471 651 Y HA 0.216 4.766 4.550 -0.000 0.000 0.286 651 Y C 1.596 177.516 175.900 0.034 0.000 1.188 651 Y CA 0.485 58.671 58.100 0.143 0.000 1.286 651 Y CB 0.388 39.016 38.460 0.279 0.000 1.072 651 Y HN 0.143 nan 8.280 nan 0.000 0.517 652 G N -0.808 108.052 108.800 0.101 0.000 2.141 652 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.231 652 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.231 652 G C 0.029 174.756 174.900 -0.288 0.000 0.984 652 G CA -0.385 44.632 45.100 -0.137 0.000 0.660 652 G HN 0.241 nan 8.290 nan 0.000 0.525 653 F N 2.875 122.866 119.950 0.068 0.000 2.606 653 F HA 0.495 5.022 4.527 -0.000 0.000 0.347 653 F C 1.205 177.019 175.800 0.023 0.000 1.207 653 F CA 0.581 58.606 58.000 0.041 0.000 1.306 653 F CB 0.392 39.412 39.000 0.033 0.000 1.657 653 F HN 0.254 nan 8.300 nan 0.000 0.606 654 T N -3.720 110.871 114.554 0.062 0.000 2.906 654 T HA 0.400 4.750 4.350 -0.000 0.000 0.295 654 T C 0.815 175.518 174.700 0.004 0.000 1.075 654 T CA -0.776 61.349 62.100 0.042 0.000 1.005 654 T CB 1.664 70.546 68.868 0.022 0.000 1.136 654 T HN -0.102 nan 8.240 nan 0.000 0.498 655 V N 1.200 121.115 119.914 0.001 0.000 2.287 655 V HA -0.177 3.943 4.120 -0.000 0.000 0.248 655 V C 2.811 178.878 176.094 -0.046 0.000 1.053 655 V CA 2.485 64.772 62.300 -0.022 0.000 1.027 655 V CB -0.922 30.891 31.823 -0.018 0.000 0.646 655 V HN 1.093 nan 8.190 nan 0.000 0.447 656 E N 0.597 120.775 120.200 -0.037 0.000 2.085 656 E HA -0.325 4.025 4.350 -0.000 0.000 0.194 656 E C 2.054 178.613 176.600 -0.067 0.000 0.994 656 E CA 1.993 58.364 56.400 -0.048 0.000 0.801 656 E CB -0.221 29.459 29.700 -0.033 0.000 0.743 656 E HN 0.646 nan 8.360 nan 0.000 0.453 657 N N -0.196 118.464 118.700 -0.067 0.000 2.216 657 N HA -0.120 4.620 4.740 -0.000 0.000 0.183 657 N C 1.798 177.234 175.510 -0.123 0.000 1.017 657 N CA 1.281 54.279 53.050 -0.087 0.000 0.861 657 N CB -0.019 38.413 38.487 -0.091 0.000 0.986 657 N HN 0.042 nan 8.380 nan 0.000 0.428 658 V N -0.124 119.715 119.914 -0.124 0.000 2.287 658 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 658 V C 2.280 178.192 176.094 -0.302 0.000 1.053 658 V CA 1.444 63.631 62.300 -0.189 0.000 1.027 658 V CB -0.543 31.212 31.823 -0.113 0.000 0.646 658 V HN 0.177 nan 8.190 nan 0.000 0.447 659 V N 0.160 119.953 119.914 -0.200 0.000 2.287 659 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 659 V C 2.572 178.549 176.094 -0.196 0.000 1.053 659 V CA 2.570 64.754 62.300 -0.192 0.000 1.027 659 V CB -0.840 30.910 31.823 -0.121 0.000 0.646 659 V HN 0.556 nan 8.190 nan 0.000 0.447 660 R N 0.330 120.738 120.500 -0.153 0.000 2.096 660 R HA -0.226 4.114 4.340 -0.000 0.000 0.240 660 R C 2.355 178.565 176.300 -0.149 0.000 1.139 660 R CA 2.051 58.076 56.100 -0.124 0.000 0.952 660 R CB -0.236 30.010 30.300 -0.089 0.000 0.854 660 R HN 0.458 nan 8.270 nan 0.000 0.436 661 K N -0.252 120.030 120.400 -0.197 0.000 2.103 661 K HA -0.043 4.277 4.320 -0.000 0.000 0.204 661 K C 2.038 178.445 176.600 -0.322 0.000 1.052 661 K CA 1.207 57.386 56.287 -0.181 0.000 0.945 661 K CB 0.081 32.547 32.500 -0.057 0.000 0.722 661 K HN 0.039 nan 8.250 nan 0.000 0.443 662 V N 1.938 121.493 119.914 -0.597 0.000 2.261 662 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 662 V C 2.021 177.974 176.094 -0.235 0.000 1.047 662 V CA 1.763 63.736 62.300 -0.545 0.000 1.015 662 V CB -0.341 31.157 31.823 -0.542 0.000 0.642 662 V HN 0.287 nan 8.190 nan 0.000 0.446 663 K N -0.264 120.024 120.400 -0.187 0.000 2.103 663 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 663 K C 1.077 177.631 176.600 -0.076 0.000 1.048 663 K CA 0.901 57.122 56.287 -0.110 0.000 0.930 663 K CB -0.124 32.319 32.500 -0.095 0.000 0.716 663 K HN 0.604 nan 8.250 nan 0.000 0.444 666 L N 0.000 121.215 121.223 -0.013 0.000 2.949 666 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 666 L CA 0.000 54.831 54.840 -0.014 0.000 0.813 666 L CB 0.000 42.041 42.059 -0.031 0.000 0.961 666 L HN 0.000 nan 8.230 nan 0.000 0.502