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 3iyn_1_F DATA FIRST_RESID 5 DATA SEQUENCE MMPQWSYMHI SGQDASEYLS PGLVQFARAT ETYFSLNNKF RNPTVAPTHD DATA SEQUENCE VTTDRSQRLT LRFIPVDRED TAYSYKARFT LAVGDNRVLD MASTYFDIRG DATA SEQUENCE VLDRGPTFKP YSGTAYNALA PKGAPNPCEW DXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX THVFGQAPYS GINITKEGIQ IGVEGQTPKY ADKTFQPEPQ DATA SEQUENCE IGESQWYETE INHAAGRVLK KTTPMKPCYG SYAKPTNENG GQGILVKQQN DATA SEQUENCE GKLESQVEMQ FFSTTEATAG NGDNLTPKVV LYSEDVDIET PDTHISYMPT DATA SEQUENCE IKEGNSRELM GQQSMPNRPN YIAFRDNFIG LMYYNSTGNM GVLAGQASQL DATA SEQUENCE NAVVDLQDRN TELSYQLLLD SIGDRTRYFS MWNQAVDSYD PDVRIIENHG DATA SEQUENCE TEDELPNYCF PLGGVINTET LTKVKPKTGQ ENGWEKDATE FSDKNEIRVG DATA SEQUENCE NNFAMEINLN ANLWRNFLYS NIALYLPDKL KYSPSNVKIS DNPNTYDYMN DATA SEQUENCE KRVVAPGLVD CYINLGARWS LDYMDNVNPF NHHRNAGLRY RSMLLGNGRY DATA SEQUENCE VPFHIQVPQK FFAIKNLLLL PGSYTYEWNF RKDVNMVLQS SLGNDLRVDG DATA SEQUENCE ASIKFDSICL YATFFPMAHN TASTLEAMLR NDTNDQSFND YLSAANMLYP DATA SEQUENCE IPANATNVPI SIPSRNWAAF RGWAFTRLKT KETPSLGSGY DPYYTYSGSI DATA SEQUENCE PYLDGTFYLN HTFKKVAITF DSSVSWPGND RLLTPNEFEI KRSVDGEGYN DATA SEQUENCE VAQCNMTKDW FLVQMLANYN IGYQGFYIPE SYKDRMYSFF RNFQPMSRQV DATA SEQUENCE VDDTKYKDYQ QVGILHQHNN SGFVGYLAPT MREGQAYPAN FPYPLIGKTA DATA SEQUENCE VDSITQKKFL CDRTLWRIPF SSNFMSMGAL TDLGQNLLYA NSAHALDMTF DATA SEQUENCE EVDPMDEPTL LYVLFEVFDV VRVHRPHRGV IETVYLRTPF SAGNAT 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.017 176.300 -0.471 0.000 1.140 5 M CA 0.000 54.876 55.300 -0.707 0.000 0.988 5 M CB 0.000 32.244 32.600 -0.593 0.000 1.302 6 M N -1.148 118.160 119.600 -0.486 0.000 7.319 6 M HA -0.138 4.342 4.480 -0.000 0.000 0.546 6 M C -1.806 174.448 176.300 -0.077 0.000 0.480 6 M CA 1.089 56.288 55.300 -0.168 0.000 1.311 6 M CB -2.895 29.630 32.600 -0.125 0.000 0.421 6 M HN 0.437 nan 8.290 nan 0.000 0.276 7 P HA -0.123 nan 4.420 nan 0.000 0.218 7 P C 1.591 178.889 177.300 -0.005 0.000 1.146 7 P CA 1.806 64.883 63.100 -0.038 0.000 0.813 7 P CB -0.079 31.581 31.700 -0.068 0.000 0.778 8 Q N -1.694 118.074 119.800 -0.054 0.000 1.994 8 Q HA -0.098 4.242 4.340 -0.000 0.000 0.198 8 Q C 1.926 178.047 176.000 0.201 0.000 0.976 8 Q CA 1.549 57.366 55.803 0.023 0.000 0.828 8 Q CB -1.050 27.644 28.738 -0.073 0.000 0.894 8 Q HN 0.236 nan 8.270 nan 0.000 0.432 9 W N 0.191 121.502 121.300 0.019 0.000 2.353 9 W HA -0.044 4.616 4.660 -0.000 0.000 0.319 9 W C 2.591 179.092 176.519 -0.031 0.000 1.207 9 W CA 1.180 58.528 57.345 0.005 0.000 1.291 9 W CB -1.668 27.799 29.460 0.012 0.000 1.159 9 W HN 0.187 nan 8.180 nan 0.000 0.478 10 S N -0.295 115.538 115.700 0.221 0.000 2.378 10 S HA -0.354 4.116 4.470 -0.000 0.000 0.229 10 S C 1.952 176.475 174.600 -0.128 0.000 1.052 10 S CA 2.131 60.369 58.200 0.063 0.000 1.084 10 S CB -1.002 62.237 63.200 0.064 0.000 0.950 10 S HN 0.272 nan 8.310 nan 0.000 0.440 11 Y N 0.916 121.116 120.300 -0.167 0.000 2.224 11 Y HA 0.060 4.610 4.550 -0.000 0.000 0.289 11 Y C 2.004 177.692 175.900 -0.354 0.000 1.146 11 Y CA 1.733 59.678 58.100 -0.259 0.000 1.182 11 Y CB -0.160 38.225 38.460 -0.125 0.000 0.983 11 Y HN 0.271 nan 8.280 nan 0.000 0.524 12 M N -0.399 119.079 119.600 -0.204 0.000 2.495 12 M HA 0.032 4.512 4.480 -0.000 0.000 0.237 12 M C -0.044 176.177 176.300 -0.131 0.000 1.131 12 M CA 0.657 55.845 55.300 -0.187 0.000 1.032 12 M CB -1.110 31.518 32.600 0.047 0.000 1.513 12 M HN 0.387 nan 8.290 nan 0.000 0.488 13 H N -0.889 118.100 119.070 -0.134 0.000 2.936 13 H HA -0.143 4.413 4.556 -0.000 0.000 0.276 13 H C 1.162 176.456 175.328 -0.056 0.000 1.216 13 H CA 0.541 56.510 56.048 -0.132 0.000 1.132 13 H CB -1.501 28.149 29.762 -0.186 0.000 1.303 13 H HN 0.294 nan 8.280 nan 0.000 0.370 14 I N -0.143 120.447 120.570 0.034 0.000 2.546 14 I HA -0.069 4.101 4.170 -0.000 0.000 0.255 14 I C 1.602 177.649 176.117 -0.116 0.000 1.163 14 I CA 1.514 62.743 61.300 -0.118 0.000 1.457 14 I CB -0.344 37.455 38.000 -0.334 0.000 1.092 14 I HN 0.349 nan 8.210 nan 0.000 0.434 15 S N -1.179 114.554 115.700 0.055 0.000 2.705 15 S HA 0.799 5.269 4.470 -0.000 0.000 0.280 15 S C -0.010 174.679 174.600 0.149 0.000 1.174 15 S CA 0.026 58.291 58.200 0.108 0.000 0.823 15 S CB 2.293 65.633 63.200 0.234 0.000 1.162 15 S HN 0.545 nan 8.310 nan 0.000 0.487 16 G N 0.574 109.462 108.800 0.146 0.000 2.445 16 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.212 16 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.212 16 G C -1.042 173.955 174.900 0.162 0.000 1.217 16 G CA -0.263 44.926 45.100 0.148 0.000 1.002 16 G HN 0.975 nan 8.290 nan 0.000 0.574 17 Q N 0.350 120.276 119.800 0.210 0.000 2.249 17 Q HA 0.499 4.839 4.340 -0.000 0.000 0.226 17 Q C -0.513 175.655 176.000 0.280 0.000 0.983 17 Q CA -0.693 55.241 55.803 0.218 0.000 0.930 17 Q CB 0.857 29.731 28.738 0.227 0.000 1.193 17 Q HN 0.540 nan 8.270 nan 0.000 0.508 18 D N -0.346 120.145 120.400 0.152 0.000 2.354 18 D HA 0.148 4.788 4.640 -0.000 0.000 0.247 18 D C 0.603 176.827 176.300 -0.128 0.000 1.138 18 D CA 0.017 54.054 54.000 0.061 0.000 0.958 18 D CB 1.333 42.127 40.800 -0.010 0.000 1.144 18 D HN 0.675 nan 8.370 nan 0.000 0.458 19 A N 1.047 123.648 122.820 -0.365 0.000 1.948 19 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 19 A C 2.008 179.210 177.584 -0.637 0.000 1.177 19 A CA 2.405 53.889 52.037 -0.922 0.000 0.636 19 A CB -0.707 17.952 19.000 -0.569 0.000 0.815 19 A HN 0.568 nan 8.150 nan 0.000 0.449 20 S N -0.704 114.798 115.700 -0.331 0.000 2.500 20 S HA -0.126 4.344 4.470 -0.000 0.000 0.239 20 S C 1.398 175.894 174.600 -0.175 0.000 0.989 20 S CA 1.413 59.478 58.200 -0.225 0.000 0.951 20 S CB -0.218 62.902 63.200 -0.134 0.000 0.759 20 S HN 0.737 nan 8.310 nan 0.000 0.523 21 E N 0.108 120.213 120.200 -0.158 0.000 2.207 21 E HA 0.088 4.438 4.350 -0.000 0.000 0.197 21 E C 1.517 178.110 176.600 -0.013 0.000 0.914 21 E CA 0.494 56.863 56.400 -0.052 0.000 0.914 21 E CB -0.266 29.446 29.700 0.020 0.000 0.893 21 E HN 0.768 nan 8.360 nan 0.000 0.479 22 Y N 1.276 121.575 120.300 -0.002 0.000 2.578 22 Y HA 0.294 4.844 4.550 -0.000 0.000 0.297 22 Y C 0.072 175.970 175.900 -0.004 0.000 1.176 22 Y CA 0.050 58.178 58.100 0.047 0.000 1.315 22 Y CB -0.241 38.326 38.460 0.178 0.000 1.031 22 Y HN -0.192 nan 8.280 nan 0.000 0.524 23 L N 1.007 121.967 121.223 -0.438 0.000 2.322 23 L HA 0.314 4.654 4.340 -0.000 0.000 0.281 23 L C 0.544 177.273 176.870 -0.235 0.000 1.014 23 L CA -1.191 53.378 54.840 -0.452 0.000 0.815 23 L CB 1.605 43.180 42.059 -0.807 0.000 1.247 23 L HN 0.056 nan 8.230 nan 0.000 0.421 24 S N 3.795 119.408 115.700 -0.145 0.000 2.817 24 S HA -0.045 4.425 4.470 -0.000 0.000 0.333 24 S C -1.437 173.101 174.600 -0.103 0.000 1.227 24 S CA -0.640 57.507 58.200 -0.088 0.000 1.027 24 S CB 0.592 63.753 63.200 -0.065 0.000 0.732 24 S HN 0.434 nan 8.310 nan 0.000 0.499 25 P HA -0.050 nan 4.420 nan 0.000 0.214 25 P C 1.637 178.913 177.300 -0.041 0.000 1.163 25 P CA 1.622 64.689 63.100 -0.054 0.000 0.889 25 P CB -0.397 31.286 31.700 -0.029 0.000 0.790 26 G N -0.204 108.580 108.800 -0.026 0.000 2.446 26 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 26 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 26 G C 1.537 176.443 174.900 0.011 0.000 1.168 26 G CA 0.777 45.876 45.100 -0.003 0.000 0.771 26 G HN 0.218 nan 8.290 nan 0.000 0.551 27 L N 0.156 121.358 121.223 -0.035 0.000 2.046 27 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 27 L C 3.037 179.900 176.870 -0.011 0.000 1.077 27 L CA 0.606 55.424 54.840 -0.038 0.000 0.747 27 L CB -0.571 41.407 42.059 -0.135 0.000 0.896 27 L HN 0.102 nan 8.230 nan 0.000 0.432 28 V N -0.416 119.442 119.914 -0.093 0.000 2.287 28 V HA -0.364 3.756 4.120 -0.000 0.000 0.248 28 V C 2.484 178.561 176.094 -0.028 0.000 1.053 28 V CA 2.114 64.352 62.300 -0.103 0.000 1.027 28 V CB -0.617 31.123 31.823 -0.138 0.000 0.646 28 V HN 0.539 nan 8.190 nan 0.000 0.447 29 Q N -0.751 119.051 119.800 0.004 0.000 2.084 29 Q HA -0.253 4.087 4.340 -0.000 0.000 0.202 29 Q C 2.131 178.163 176.000 0.053 0.000 0.978 29 Q CA 2.198 58.013 55.803 0.019 0.000 0.844 29 Q CB -0.234 28.522 28.738 0.029 0.000 0.898 29 Q HN 0.661 nan 8.270 nan 0.000 0.426 30 F N 0.380 120.312 119.950 -0.031 0.000 2.186 30 F HA -0.089 4.438 4.527 -0.000 0.000 0.299 30 F C 1.934 177.725 175.800 -0.014 0.000 1.090 30 F CA 1.371 59.368 58.000 -0.005 0.000 1.307 30 F CB -0.332 38.676 39.000 0.015 0.000 1.019 30 F HN 0.133 nan 8.300 nan 0.000 0.489 31 A N 0.452 123.331 122.820 0.098 0.000 1.969 31 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 31 A C 2.337 179.843 177.584 -0.131 0.000 1.169 31 A CA 1.474 53.508 52.037 -0.006 0.000 0.635 31 A CB -0.785 18.248 19.000 0.056 0.000 0.810 31 A HN 0.489 nan 8.150 nan 0.000 0.445 32 R N -0.575 119.857 120.500 -0.112 0.000 2.115 32 R HA 0.029 4.369 4.340 -0.000 0.000 0.226 32 R C 2.082 178.286 176.300 -0.160 0.000 1.100 32 R CA 1.196 57.227 56.100 -0.116 0.000 0.980 32 R CB -0.245 30.008 30.300 -0.077 0.000 0.875 32 R HN 0.420 nan 8.270 nan 0.000 0.445 33 A N -0.086 122.610 122.820 -0.207 0.000 2.021 33 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 33 A C 1.831 179.186 177.584 -0.381 0.000 1.163 33 A CA 1.263 53.167 52.037 -0.221 0.000 0.676 33 A CB -0.244 18.658 19.000 -0.163 0.000 0.818 33 A HN 0.514 nan 8.150 nan 0.000 0.453 34 T N -2.276 111.919 114.554 -0.599 0.000 3.129 34 T HA 0.086 4.436 4.350 -0.000 0.000 0.251 34 T C 0.970 175.277 174.700 -0.655 0.000 1.117 34 T CA 0.785 62.332 62.100 -0.922 0.000 1.034 34 T CB -0.012 68.295 68.868 -0.935 0.000 0.968 34 T HN 0.341 nan 8.240 nan 0.000 0.526 35 E N 2.421 122.388 120.200 -0.387 0.000 2.453 35 E HA -0.057 4.293 4.350 -0.000 0.000 0.207 35 E C 1.353 177.818 176.600 -0.225 0.000 1.212 35 E CA 0.903 57.157 56.400 -0.243 0.000 0.959 35 E CB -0.807 28.797 29.700 -0.160 0.000 0.957 35 E HN 0.820 nan 8.360 nan 0.000 0.540 36 T N -3.527 110.820 114.554 -0.346 0.000 3.330 36 T HA 0.029 4.379 4.350 -0.000 0.000 0.240 36 T C 1.661 176.313 174.700 -0.079 0.000 0.988 36 T CA 0.360 62.358 62.100 -0.171 0.000 1.253 36 T CB -0.725 68.117 68.868 -0.044 0.000 1.163 36 T HN 0.282 nan 8.240 nan 0.000 0.382 37 Y N 0.549 120.866 120.300 0.027 0.000 2.190 37 Y HA 0.602 5.152 4.550 -0.000 0.000 0.290 37 Y C 0.827 176.834 175.900 0.178 0.000 1.115 37 Y CA -0.921 57.231 58.100 0.086 0.000 1.107 37 Y CB -0.457 38.055 38.460 0.087 0.000 1.033 37 Y HN 0.161 nan 8.280 nan 0.000 0.502 38 F N 1.441 121.309 119.950 -0.136 0.000 2.420 38 F HA 0.541 5.068 4.527 -0.000 0.000 0.342 38 F C -0.169 175.557 175.800 -0.124 0.000 1.113 38 F CA -1.520 56.465 58.000 -0.024 0.000 1.059 38 F CB 1.637 40.724 39.000 0.145 0.000 1.128 38 F HN -0.089 nan 8.300 nan 0.000 0.475 39 S N 5.868 121.400 115.700 -0.279 0.000 2.530 39 S HA 0.511 4.981 4.470 -0.000 0.000 0.322 39 S C 0.274 174.771 174.600 -0.173 0.000 1.085 39 S CA -0.579 57.508 58.200 -0.187 0.000 1.096 39 S CB 0.475 63.577 63.200 -0.164 0.000 0.988 39 S HN 0.719 nan 8.310 nan 0.000 0.466 40 L N 4.423 125.649 121.223 0.004 0.000 2.693 40 L HA 0.252 4.592 4.340 -0.000 0.000 0.235 40 L C 1.750 178.727 176.870 0.178 0.000 1.127 40 L CA -0.168 54.748 54.840 0.127 0.000 0.914 40 L CB -0.168 42.108 42.059 0.361 0.000 1.193 40 L HN 0.512 nan 8.230 nan 0.000 0.502 41 N N 1.706 120.458 118.700 0.087 0.000 2.104 41 N HA -0.197 4.543 4.740 -0.000 0.000 0.190 41 N C 1.456 177.006 175.510 0.067 0.000 1.024 41 N CA 1.703 54.809 53.050 0.094 0.000 0.853 41 N CB -0.476 38.019 38.487 0.012 0.000 1.008 41 N HN 0.497 nan 8.380 nan 0.000 0.424 42 N N 1.361 120.050 118.700 -0.018 0.000 2.571 42 N HA -0.085 4.655 4.740 -0.000 0.000 0.189 42 N C 0.509 175.945 175.510 -0.122 0.000 1.154 42 N CA 0.540 53.556 53.050 -0.056 0.000 0.907 42 N CB 0.038 38.481 38.487 -0.073 0.000 0.977 42 N HN 0.157 nan 8.380 nan 0.000 0.449 43 K N -0.203 120.066 120.400 -0.218 0.000 2.367 43 K HA 0.147 4.467 4.320 -0.000 0.000 0.194 43 K C -0.501 175.614 176.600 -0.808 0.000 1.027 43 K CA 0.100 56.053 56.287 -0.558 0.000 1.075 43 K CB 0.271 32.271 32.500 -0.833 0.000 0.845 43 K HN 0.173 nan 8.250 nan 0.000 0.529 44 F N 1.109 121.051 119.950 -0.013 0.000 2.536 44 F HA 0.355 4.882 4.527 -0.000 0.000 0.322 44 F C 0.394 176.189 175.800 -0.008 0.000 1.144 44 F CA -1.434 56.571 58.000 0.007 0.000 0.924 44 F CB 1.273 40.244 39.000 -0.049 0.000 1.181 44 F HN -0.290 nan 8.300 nan 0.000 0.438 45 R N 2.448 123.045 120.500 0.161 0.000 2.590 45 R HA 0.259 4.599 4.340 -0.000 0.000 0.274 45 R C -0.951 175.400 176.300 0.084 0.000 1.061 45 R CA 0.070 56.223 56.100 0.088 0.000 1.081 45 R CB 0.120 30.466 30.300 0.077 0.000 0.984 45 R HN 0.592 nan 8.270 nan 0.000 0.448 46 N N 6.278 125.012 118.700 0.056 0.000 2.524 46 N HA 0.305 5.045 4.740 -0.000 0.000 0.261 46 N C -2.548 172.987 175.510 0.042 0.000 0.998 46 N CA -1.329 51.751 53.050 0.049 0.000 0.915 46 N CB 1.915 40.413 38.487 0.017 0.000 1.187 46 N HN 0.536 nan 8.380 nan 0.000 0.507 47 P HA 0.121 nan 4.420 nan 0.000 0.272 47 P C -0.545 176.764 177.300 0.014 0.000 1.223 47 P CA -0.092 63.026 63.100 0.032 0.000 0.784 47 P CB 0.769 32.503 31.700 0.057 0.000 0.923 48 T N -1.303 113.243 114.554 -0.014 0.000 2.879 48 T HA 0.542 4.892 4.350 -0.000 0.000 0.290 48 T C -0.524 174.157 174.700 -0.031 0.000 0.993 48 T CA -0.696 61.395 62.100 -0.014 0.000 0.975 48 T CB 0.850 69.707 68.868 -0.018 0.000 0.981 48 T HN 0.158 nan 8.240 nan 0.000 0.439 49 V N 2.108 122.014 119.914 -0.013 0.000 2.540 49 V HA 0.810 4.930 4.120 -0.000 0.000 0.302 49 V C 0.426 176.520 176.094 0.001 0.000 1.035 49 V CA -1.131 61.160 62.300 -0.015 0.000 0.873 49 V CB 1.592 33.424 31.823 0.015 0.000 0.992 49 V HN 1.275 nan 8.190 nan 0.000 0.428 50 A N 6.378 129.196 122.820 -0.003 0.000 2.327 50 A HA 0.825 5.145 4.320 -0.000 0.000 0.283 50 A C -1.711 175.884 177.584 0.020 0.000 1.127 50 A CA -1.240 50.801 52.037 0.007 0.000 0.810 50 A CB -0.033 18.970 19.000 0.005 0.000 1.066 50 A HN 0.747 nan 8.150 nan 0.000 0.492 51 P HA 0.082 nan 4.420 nan 0.000 0.270 51 P C 0.236 177.546 177.300 0.017 0.000 1.221 51 P CA 0.522 63.609 63.100 -0.022 0.000 0.788 51 P CB 0.350 31.997 31.700 -0.087 0.000 0.904 52 T N -3.307 111.280 114.554 0.056 0.000 3.460 52 T HA 0.242 4.592 4.350 -0.000 0.000 0.304 52 T C 0.079 174.913 174.700 0.222 0.000 0.991 52 T CA -0.506 61.675 62.100 0.135 0.000 0.975 52 T CB -0.855 68.114 68.868 0.169 0.000 1.196 52 T HN 0.887 nan 8.240 nan 0.000 0.490 53 H N -1.552 117.545 119.070 0.045 0.000 3.093 53 H HA 0.307 4.863 4.556 -0.000 0.000 0.312 53 H C -1.640 173.718 175.328 0.051 0.000 1.213 53 H CA -0.534 55.540 56.048 0.042 0.000 1.366 53 H CB 0.133 29.917 29.762 0.037 0.000 1.998 53 H HN 0.017 nan 8.280 nan 0.000 0.522 54 D N 1.273 121.724 120.400 0.085 0.000 2.775 54 D HA -0.107 4.533 4.640 -0.000 0.000 0.235 54 D C 0.526 176.843 176.300 0.028 0.000 1.120 54 D CA 1.184 55.214 54.000 0.050 0.000 0.708 54 D CB -1.517 39.304 40.800 0.035 0.000 1.084 54 D HN 0.411 nan 8.370 nan 0.000 0.434 55 V N -1.925 118.030 119.914 0.069 0.000 3.837 55 V HA 0.129 4.249 4.120 -0.000 0.000 0.182 55 V C 0.910 177.129 176.094 0.208 0.000 1.356 55 V CA 1.067 63.451 62.300 0.141 0.000 1.260 55 V CB 0.890 32.774 31.823 0.102 0.000 1.287 55 V HN 0.132 nan 8.190 nan 0.000 0.572 56 T N 0.807 115.417 114.554 0.094 0.000 2.940 56 T HA 0.493 4.843 4.350 -0.000 0.000 0.288 56 T C -0.301 174.389 174.700 -0.016 0.000 1.033 56 T CA -0.017 62.093 62.100 0.016 0.000 1.033 56 T CB 2.008 70.843 68.868 -0.054 0.000 1.079 56 T HN 0.359 nan 8.240 nan 0.000 0.496 57 T N 0.343 114.854 114.554 -0.072 0.000 2.922 57 T HA 0.195 4.545 4.350 -0.000 0.000 0.285 57 T C 0.395 175.020 174.700 -0.125 0.000 1.005 57 T CA -0.626 61.374 62.100 -0.167 0.000 1.061 57 T CB 0.387 69.052 68.868 -0.338 0.000 1.007 57 T HN 0.484 nan 8.240 nan 0.000 0.502 58 D N 1.824 122.149 120.400 -0.126 0.000 2.366 58 D HA 0.064 4.704 4.640 -0.000 0.000 0.205 58 D C 1.035 177.293 176.300 -0.069 0.000 1.022 58 D CA 0.123 54.080 54.000 -0.072 0.000 0.868 58 D CB 0.403 41.177 40.800 -0.044 0.000 0.953 58 D HN 0.601 nan 8.370 nan 0.000 0.514 59 R N 0.867 121.304 120.500 -0.106 0.000 2.560 59 R HA 0.288 4.628 4.340 -0.000 0.000 0.270 59 R C 0.253 176.533 176.300 -0.033 0.000 1.074 59 R CA -0.459 55.608 56.100 -0.055 0.000 1.140 59 R CB 0.803 31.082 30.300 -0.035 0.000 1.073 59 R HN -0.278 nan 8.270 nan 0.000 0.527 60 S N 0.916 116.613 115.700 -0.006 0.000 2.546 60 S HA 0.003 4.473 4.470 -0.000 0.000 0.290 60 S C -0.619 173.986 174.600 0.009 0.000 1.290 60 S CA -0.014 58.185 58.200 -0.002 0.000 1.069 60 S CB 0.132 63.333 63.200 0.001 0.000 0.846 60 S HN 0.617 nan 8.310 nan 0.000 0.495 61 Q N 2.909 122.708 119.800 -0.002 0.000 2.403 61 Q HA 0.278 4.618 4.340 -0.000 0.000 0.267 61 Q C -1.346 174.645 176.000 -0.015 0.000 0.991 61 Q CA -0.754 55.047 55.803 -0.003 0.000 0.906 61 Q CB 1.184 29.938 28.738 0.026 0.000 1.422 61 Q HN 0.699 nan 8.270 nan 0.000 0.400 62 R N 3.199 123.678 120.500 -0.036 0.000 2.390 62 R HA 0.255 4.595 4.340 -0.000 0.000 0.291 62 R C 0.695 177.007 176.300 0.021 0.000 1.070 62 R CA 0.065 56.155 56.100 -0.018 0.000 1.014 62 R CB 0.781 31.056 30.300 -0.041 0.000 1.007 62 R HN 0.770 nan 8.270 nan 0.000 0.466 63 L N 1.350 122.611 121.223 0.062 0.000 2.162 63 L HA 0.007 4.347 4.340 -0.000 0.000 0.205 63 L C 0.332 177.333 176.870 0.217 0.000 1.086 63 L CA 1.206 56.120 54.840 0.123 0.000 0.778 63 L CB 0.320 42.426 42.059 0.078 0.000 0.928 63 L HN 0.545 nan 8.230 nan 0.000 0.446 64 T N 0.643 115.302 114.554 0.176 0.000 2.841 64 T HA 0.479 4.829 4.350 -0.000 0.000 0.285 64 T C -0.499 174.287 174.700 0.143 0.000 0.991 64 T CA -0.396 61.837 62.100 0.221 0.000 0.966 64 T CB 1.956 70.955 68.868 0.218 0.000 0.962 64 T HN -0.106 nan 8.240 nan 0.000 0.438 65 L N 2.737 124.044 121.223 0.140 0.000 2.331 65 L HA 0.671 5.011 4.340 -0.000 0.000 0.275 65 L C 0.284 176.919 176.870 -0.392 0.000 1.022 65 L CA -1.041 53.707 54.840 -0.152 0.000 0.812 65 L CB 1.860 43.804 42.059 -0.191 0.000 1.257 65 L HN 0.379 nan 8.230 nan 0.000 0.435 66 R N 1.718 121.829 120.500 -0.649 0.000 2.480 66 R HA 0.573 4.913 4.340 -0.000 0.000 0.306 66 R C -1.720 174.133 176.300 -0.746 0.000 0.958 66 R CA -0.458 55.164 56.100 -0.798 0.000 0.861 66 R CB 1.223 31.116 30.300 -0.679 0.000 1.171 66 R HN 0.333 nan 8.270 nan 0.000 0.445 67 F N 4.514 124.350 119.950 -0.189 0.000 2.469 67 F HA 0.471 4.998 4.527 -0.000 0.000 0.332 67 F C 0.185 176.096 175.800 0.184 0.000 1.103 67 F CA -1.035 56.987 58.000 0.037 0.000 0.979 67 F CB 1.325 40.398 39.000 0.121 0.000 1.137 67 F HN 0.168 nan 8.300 nan 0.000 0.463 68 I N 3.252 124.048 120.570 0.376 0.000 2.498 68 I HA 0.367 4.537 4.170 -0.000 0.000 0.301 68 I C -2.258 174.016 176.117 0.262 0.000 0.984 68 I CA -3.508 57.968 61.300 0.294 0.000 1.204 68 I CB 1.019 39.099 38.000 0.132 0.000 1.362 68 I HN 0.281 nan 8.210 nan 0.000 0.471 69 P HA 0.035 nan 4.420 nan 0.000 0.268 69 P C 0.787 177.974 177.300 -0.188 0.000 1.204 69 P CA 0.150 62.985 63.100 -0.442 0.000 0.768 69 P CB 0.934 32.375 31.700 -0.431 0.000 0.842 70 V N 1.732 121.533 119.914 -0.187 0.000 3.052 70 V HA 0.046 4.166 4.120 -0.000 0.000 0.254 70 V C 0.142 176.170 176.094 -0.109 0.000 1.100 70 V CA 1.436 63.688 62.300 -0.080 0.000 1.112 70 V CB -0.388 31.419 31.823 -0.027 0.000 0.738 70 V HN 0.609 nan 8.190 nan 0.000 0.469 71 D N -0.716 119.578 120.400 -0.178 0.000 2.886 71 D HA 0.445 5.085 4.640 -0.000 0.000 0.216 71 D C -0.783 175.379 176.300 -0.230 0.000 1.256 71 D CA -0.441 53.459 54.000 -0.166 0.000 0.844 71 D CB 1.411 42.131 40.800 -0.133 0.000 1.669 71 D HN 0.182 nan 8.370 nan 0.000 0.513 72 R N 2.203 122.573 120.500 -0.217 0.000 2.686 72 R HA 0.576 4.916 4.340 -0.000 0.000 0.283 72 R C -0.873 175.235 176.300 -0.320 0.000 0.978 72 R CA -0.872 55.046 56.100 -0.302 0.000 0.897 72 R CB 2.224 32.372 30.300 -0.253 0.000 1.192 72 R HN 0.339 nan 8.270 nan 0.000 0.457 73 E N 1.621 121.551 120.200 -0.451 0.000 2.580 73 E HA 0.062 4.412 4.350 -0.000 0.000 0.248 73 E C -1.619 174.714 176.600 -0.446 0.000 1.018 73 E CA -0.481 55.707 56.400 -0.353 0.000 0.775 73 E CB 1.499 31.053 29.700 -0.244 0.000 1.378 73 E HN 0.349 nan 8.360 nan 0.000 0.401 74 D N 2.206 122.381 120.400 -0.374 0.000 2.352 74 D HA 0.126 4.766 4.640 -0.000 0.000 0.245 74 D C -0.494 175.773 176.300 -0.056 0.000 1.224 74 D CA 0.473 54.396 54.000 -0.129 0.000 0.879 74 D CB 0.829 41.730 40.800 0.168 0.000 1.057 74 D HN 0.102 nan 8.370 nan 0.000 0.491 75 T N 1.985 116.510 114.554 -0.050 0.000 2.919 75 T HA 0.544 4.894 4.350 -0.000 0.000 0.282 75 T C 1.450 176.043 174.700 -0.179 0.000 1.020 75 T CA -0.066 61.948 62.100 -0.144 0.000 0.994 75 T CB 1.406 70.141 68.868 -0.221 0.000 1.180 75 T HN 0.334 nan 8.240 nan 0.000 0.566 76 A N 0.468 123.077 122.820 -0.351 0.000 1.896 76 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 76 A C 1.411 178.832 177.584 -0.272 0.000 1.206 76 A CA 2.384 54.200 52.037 -0.367 0.000 0.647 76 A CB -0.946 17.746 19.000 -0.513 0.000 0.828 76 A HN 0.938 nan 8.150 nan 0.000 0.455 77 Y N -2.138 118.162 120.300 -0.001 0.000 2.563 77 Y HA 0.507 5.057 4.550 -0.000 0.000 0.250 77 Y C 0.405 176.448 175.900 0.238 0.000 1.126 77 Y CA -0.635 57.506 58.100 0.068 0.000 1.231 77 Y CB -0.652 37.786 38.460 -0.037 0.000 1.288 77 Y HN 0.346 nan 8.280 nan 0.000 0.537 78 S N -0.953 114.916 115.700 0.281 0.000 2.618 78 S HA 0.655 5.125 4.470 -0.000 0.000 0.277 78 S C -1.913 172.910 174.600 0.373 0.000 1.138 78 S CA -0.720 57.747 58.200 0.445 0.000 0.844 78 S CB 2.369 65.850 63.200 0.470 0.000 1.127 78 S HN 0.213 nan 8.310 nan 0.000 0.474 79 Y N 0.657 121.147 120.300 0.317 0.000 2.391 79 Y HA 0.679 5.229 4.550 -0.000 0.000 0.341 79 Y C -0.568 175.455 175.900 0.204 0.000 0.965 79 Y CA -0.523 57.716 58.100 0.233 0.000 1.067 79 Y CB 1.790 40.417 38.460 0.278 0.000 1.199 79 Y HN 0.960 nan 8.280 nan 0.000 0.450 80 K N 4.140 124.430 120.400 -0.182 0.000 2.376 80 K HA 0.888 5.208 4.320 -0.000 0.000 0.257 80 K C -1.822 174.650 176.600 -0.214 0.000 0.939 80 K CA -0.681 55.544 56.287 -0.103 0.000 0.809 80 K CB 1.239 33.648 32.500 -0.153 0.000 1.121 80 K HN 0.696 nan 8.250 nan 0.000 0.425 81 A N 4.288 127.072 122.820 -0.059 0.000 2.356 81 A HA 0.576 4.896 4.320 -0.000 0.000 0.310 81 A C -1.233 176.202 177.584 -0.248 0.000 1.075 81 A CA -0.805 51.108 52.037 -0.206 0.000 0.746 81 A CB 1.260 20.191 19.000 -0.114 0.000 1.221 81 A HN 0.802 nan 8.150 nan 0.000 0.443 82 R N 1.651 121.903 120.500 -0.413 0.000 2.562 82 R HA 0.738 5.078 4.340 -0.000 0.000 0.298 82 R C -1.734 174.312 176.300 -0.423 0.000 0.961 82 R CA -0.334 55.620 56.100 -0.243 0.000 0.881 82 R CB 0.981 31.208 30.300 -0.122 0.000 1.159 82 R HN 0.619 nan 8.270 nan 0.000 0.450 83 F N -0.044 119.973 119.950 0.111 0.000 2.593 83 F HA 0.383 4.910 4.527 -0.000 0.000 0.320 83 F C 0.209 176.066 175.800 0.095 0.000 1.060 83 F CA -0.835 57.237 58.000 0.121 0.000 0.940 83 F CB 2.471 41.567 39.000 0.160 0.000 1.268 83 F HN 0.244 nan 8.300 nan 0.000 0.475 84 T N 3.378 118.081 114.554 0.249 0.000 3.042 84 T HA 0.294 4.644 4.350 -0.000 0.000 0.356 84 T C -0.765 173.907 174.700 -0.046 0.000 1.233 84 T CA -0.321 61.855 62.100 0.127 0.000 1.038 84 T CB 0.085 69.023 68.868 0.116 0.000 1.089 84 T HN 0.352 nan 8.240 nan 0.000 0.531 85 L N 4.417 125.581 121.223 -0.098 0.000 2.385 85 L HA 0.603 4.943 4.340 -0.000 0.000 0.281 85 L C 0.096 176.911 176.870 -0.091 0.000 1.106 85 L CA -0.333 54.260 54.840 -0.412 0.000 0.856 85 L CB -0.649 41.290 42.059 -0.200 0.000 1.186 85 L HN 0.581 nan 8.230 nan 0.000 0.453 86 A N 5.331 128.103 122.820 -0.081 0.000 2.271 86 A HA 0.634 4.954 4.320 -0.000 0.000 0.317 86 A C -0.539 177.229 177.584 0.308 0.000 1.245 86 A CA -0.579 51.566 52.037 0.179 0.000 0.857 86 A CB 0.974 20.104 19.000 0.216 0.000 1.175 86 A HN 0.502 nan 8.150 nan 0.000 0.512 87 V N 4.088 124.186 119.914 0.306 0.000 2.218 87 V HA 0.336 4.456 4.120 -0.000 0.000 0.261 87 V C 1.330 177.535 176.094 0.185 0.000 1.142 87 V CA -0.037 62.477 62.300 0.356 0.000 0.965 87 V CB 0.020 32.089 31.823 0.409 0.000 1.190 87 V HN 1.148 nan 8.190 nan 0.000 0.478 88 G N 3.181 112.024 108.800 0.071 0.000 3.026 88 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.232 88 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.232 88 G C 0.116 175.015 174.900 -0.001 0.000 1.241 88 G CA -0.215 44.883 45.100 -0.003 0.000 0.858 88 G HN 0.613 nan 8.290 nan 0.000 0.592 89 D N 0.201 120.580 120.400 -0.035 0.000 2.352 89 D HA -0.049 4.591 4.640 -0.000 0.000 0.238 89 D C 0.849 177.080 176.300 -0.114 0.000 1.286 89 D CA 0.162 54.133 54.000 -0.050 0.000 0.923 89 D CB 0.208 40.971 40.800 -0.062 0.000 1.146 89 D HN 0.408 nan 8.370 nan 0.000 0.471 90 N N 0.061 118.696 118.700 -0.109 0.000 2.666 90 N HA -0.230 4.510 4.740 -0.000 0.000 0.248 90 N C -0.713 174.772 175.510 -0.041 0.000 1.118 90 N CA 1.074 54.035 53.050 -0.148 0.000 0.722 90 N CB -0.538 37.640 38.487 -0.515 0.000 1.050 90 N HN 0.393 nan 8.380 nan 0.000 0.550 91 R N -1.130 119.397 120.500 0.045 0.000 2.808 91 R HA 0.751 5.091 4.340 -0.000 0.000 0.272 91 R C -0.547 175.883 176.300 0.217 0.000 0.995 91 R CA -0.950 55.248 56.100 0.162 0.000 0.917 91 R CB 2.263 32.642 30.300 0.131 0.000 1.217 91 R HN -0.012 nan 8.270 nan 0.000 0.471 92 V N -0.590 119.495 119.914 0.285 0.000 2.925 92 V HA 0.718 4.838 4.120 -0.000 0.000 0.311 92 V C -1.436 174.774 176.094 0.193 0.000 1.104 92 V CA -1.059 61.362 62.300 0.201 0.000 0.954 92 V CB 2.001 33.895 31.823 0.117 0.000 1.022 92 V HN 0.580 nan 8.190 nan 0.000 0.427 93 L N 2.389 123.630 121.223 0.030 0.000 2.381 93 L HA 0.686 5.026 4.340 -0.000 0.000 0.274 93 L C -0.697 176.070 176.870 -0.173 0.000 0.988 93 L CA 0.051 54.765 54.840 -0.210 0.000 0.824 93 L CB 1.642 43.475 42.059 -0.377 0.000 1.263 93 L HN 0.940 nan 8.230 nan 0.000 0.410 94 D N 5.319 125.623 120.400 -0.160 0.000 2.347 94 D HA 0.116 4.756 4.640 -0.000 0.000 0.235 94 D C 1.159 177.366 176.300 -0.156 0.000 1.149 94 D CA -0.352 53.582 54.000 -0.110 0.000 0.850 94 D CB 1.152 41.923 40.800 -0.047 0.000 1.061 94 D HN 0.576 nan 8.370 nan 0.000 0.487 95 M N 2.916 122.405 119.600 -0.185 0.000 2.260 95 M HA -0.173 4.307 4.480 -0.000 0.000 0.261 95 M C 1.890 178.095 176.300 -0.158 0.000 1.066 95 M CA 0.787 55.953 55.300 -0.223 0.000 1.082 95 M CB -1.182 31.255 32.600 -0.272 0.000 1.388 95 M HN 0.512 nan 8.290 nan 0.000 0.419 96 A N -0.112 122.647 122.820 -0.101 0.000 2.178 96 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 96 A C 2.109 179.716 177.584 0.037 0.000 1.157 96 A CA 1.705 53.718 52.037 -0.040 0.000 0.689 96 A CB -0.685 18.313 19.000 -0.003 0.000 0.787 96 A HN 0.604 nan 8.150 nan 0.000 0.465 97 S N -0.617 115.093 115.700 0.016 0.000 2.614 97 S HA 0.181 4.651 4.470 -0.000 0.000 0.230 97 S C 0.614 175.260 174.600 0.076 0.000 0.952 97 S CA 0.308 58.567 58.200 0.098 0.000 0.949 97 S CB -0.881 62.351 63.200 0.053 0.000 0.786 97 S HN 0.599 nan 8.310 nan 0.000 0.478 98 T N -0.151 114.397 114.554 -0.010 0.000 2.945 98 T HA 0.751 5.101 4.350 -0.000 0.000 0.286 98 T C -0.746 173.939 174.700 -0.023 0.000 1.025 98 T CA -0.760 61.264 62.100 -0.126 0.000 1.039 98 T CB 1.200 69.935 68.868 -0.221 0.000 1.068 98 T HN 0.696 nan 8.240 nan 0.000 0.497 99 Y N -1.611 118.617 120.300 -0.120 0.000 2.662 99 Y HA 0.631 5.181 4.550 -0.000 0.000 0.334 99 Y C -2.067 173.716 175.900 -0.195 0.000 1.185 99 Y CA -2.601 55.406 58.100 -0.155 0.000 1.074 99 Y CB 0.468 39.051 38.460 0.206 0.000 1.330 99 Y HN 0.647 nan 8.280 nan 0.000 0.458 100 F N 1.785 121.921 119.950 0.310 0.000 2.411 100 F HA 0.340 4.867 4.527 -0.000 0.000 0.355 100 F C 0.072 176.038 175.800 0.277 0.000 1.117 100 F CA -0.243 57.865 58.000 0.180 0.000 1.139 100 F CB 1.107 40.181 39.000 0.124 0.000 1.120 100 F HN 0.593 nan 8.300 nan 0.000 0.493 101 D N 4.810 125.505 120.400 0.490 0.000 2.317 101 D HA 0.474 5.114 4.640 -0.000 0.000 0.234 101 D C -0.764 175.689 176.300 0.254 0.000 1.112 101 D CA -0.060 54.201 54.000 0.434 0.000 0.840 101 D CB 0.701 41.861 40.800 0.599 0.000 1.078 101 D HN 0.309 nan 8.370 nan 0.000 0.486 102 I N 3.748 124.415 120.570 0.162 0.000 2.465 102 I HA 0.474 4.644 4.170 -0.000 0.000 0.291 102 I C -0.004 176.149 176.117 0.061 0.000 1.014 102 I CA -0.921 60.394 61.300 0.024 0.000 1.093 102 I CB 1.828 39.746 38.000 -0.136 0.000 1.267 102 I HN 0.176 nan 8.210 nan 0.000 0.431 103 R N 3.918 124.347 120.500 -0.118 0.000 2.561 103 R HA 0.831 5.171 4.340 -0.000 0.000 0.297 103 R C -0.325 175.703 176.300 -0.453 0.000 0.969 103 R CA -0.747 55.164 56.100 -0.315 0.000 0.879 103 R CB 2.431 32.538 30.300 -0.322 0.000 1.178 103 R HN 0.881 nan 8.270 nan 0.000 0.445 104 G N 0.703 108.913 108.800 -0.983 0.000 2.634 104 G HA2 0.486 4.446 3.960 -0.000 0.000 0.309 104 G HA3 0.486 4.446 3.960 -0.000 0.000 0.309 104 G C -1.705 172.695 174.900 -0.833 0.000 1.299 104 G CA -0.422 44.203 45.100 -0.793 0.000 0.798 104 G HN 0.291 nan 8.290 nan 0.000 0.490 105 V N 0.200 119.944 119.914 -0.283 0.000 2.604 105 V HA 0.755 4.875 4.120 -0.000 0.000 0.305 105 V C -0.863 175.381 176.094 0.251 0.000 1.043 105 V CA -0.683 61.608 62.300 -0.016 0.000 0.888 105 V CB 1.569 33.379 31.823 -0.021 0.000 0.995 105 V HN 0.860 nan 8.190 nan 0.000 0.429 106 L N 3.212 124.615 121.223 0.301 0.000 2.386 106 L HA 0.806 5.146 4.340 -0.000 0.000 0.271 106 L C -1.215 175.696 176.870 0.068 0.000 0.993 106 L CA 0.023 54.972 54.840 0.181 0.000 0.819 106 L CB 2.092 44.231 42.059 0.133 0.000 1.294 106 L HN 0.700 nan 8.230 nan 0.000 0.414 107 D N 2.965 123.364 120.400 -0.001 0.000 2.462 107 D HA 0.337 4.977 4.640 -0.000 0.000 0.245 107 D C 0.452 176.655 176.300 -0.161 0.000 1.122 107 D CA -0.366 53.616 54.000 -0.030 0.000 0.864 107 D CB 1.463 42.315 40.800 0.085 0.000 1.098 107 D HN 0.612 nan 8.370 nan 0.000 0.541 108 R N 1.942 122.267 120.500 -0.292 0.000 2.316 108 R HA 0.301 4.641 4.340 -0.000 0.000 0.202 108 R C 1.326 177.498 176.300 -0.213 0.000 1.029 108 R CA 0.622 56.518 56.100 -0.339 0.000 1.018 108 R CB -0.128 29.776 30.300 -0.660 0.000 0.888 108 R HN 0.657 nan 8.270 nan 0.000 0.471 109 G N 0.397 109.084 108.800 -0.188 0.000 2.796 109 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.571 109 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.571 109 G C -2.053 172.763 174.900 -0.139 0.000 1.370 109 G CA -0.401 44.619 45.100 -0.134 0.000 0.856 109 G HN 0.059 nan 8.290 nan 0.000 0.538 110 P HA 0.018 nan 4.420 nan 0.000 0.241 110 P C 1.506 178.658 177.300 -0.247 0.000 1.191 110 P CA 1.967 64.984 63.100 -0.139 0.000 0.771 110 P CB 0.004 31.654 31.700 -0.084 0.000 0.929 111 T N -4.574 109.789 114.554 -0.319 0.000 3.129 111 T HA 0.061 4.411 4.350 -0.000 0.000 0.251 111 T C 0.310 174.633 174.700 -0.628 0.000 1.117 111 T CA -0.523 61.152 62.100 -0.709 0.000 1.034 111 T CB -0.966 67.524 68.868 -0.630 0.000 0.968 111 T HN -0.135 nan 8.240 nan 0.000 0.526 112 F N 2.802 122.474 119.950 -0.463 0.000 2.472 112 F HA 0.508 5.035 4.527 -0.000 0.000 0.364 112 F C 0.242 175.800 175.800 -0.404 0.000 1.090 112 F CA -1.274 56.501 58.000 -0.376 0.000 1.188 112 F CB 0.519 39.353 39.000 -0.277 0.000 1.105 112 F HN 0.022 nan 8.300 nan 0.000 0.536 113 K N 9.201 128.984 120.400 -1.027 0.000 2.723 113 K HA 0.328 4.648 4.320 -0.000 0.000 0.229 113 K C -2.622 173.228 176.600 -1.250 0.000 1.022 113 K CA -1.698 53.926 56.287 -1.106 0.000 1.045 113 K CB 1.347 33.369 32.500 -0.797 0.000 1.227 113 K HN 0.299 nan 8.250 nan 0.000 0.516 114 P HA 0.002 nan 4.420 nan 0.000 0.269 114 P C -1.427 175.657 177.300 -0.359 0.000 1.601 114 P CA 0.196 62.771 63.100 -0.875 0.000 0.831 114 P CB -0.703 30.794 31.700 -0.338 0.000 1.688 115 Y N -5.013 114.983 120.300 -0.507 0.000 2.717 115 Y HA 0.496 5.046 4.550 -0.000 0.000 0.345 115 Y C -1.180 174.604 175.900 -0.193 0.000 1.187 115 Y CA -1.338 56.637 58.100 -0.210 0.000 1.128 115 Y CB -0.211 38.169 38.460 -0.133 0.000 1.360 115 Y HN -0.319 nan 8.280 nan 0.000 0.467 116 S N 1.225 117.001 115.700 0.126 0.000 2.617 116 S HA 0.807 5.277 4.470 -0.000 0.000 0.283 116 S C 0.419 175.124 174.600 0.175 0.000 1.189 116 S CA 0.116 58.340 58.200 0.040 0.000 1.036 116 S CB 1.007 64.218 63.200 0.019 0.000 1.014 116 S HN 1.871 nan 8.310 nan 0.000 0.522 117 G N 1.116 109.990 108.800 0.123 0.000 2.568 117 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.222 117 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.222 117 G C -0.267 174.734 174.900 0.168 0.000 1.321 117 G CA -0.127 45.074 45.100 0.168 0.000 0.893 117 G HN 0.967 nan 8.290 nan 0.000 0.569 118 T N -1.393 113.189 114.554 0.048 0.000 2.916 118 T HA 0.758 5.108 4.350 -0.000 0.000 0.292 118 T C 1.085 175.634 174.700 -0.252 0.000 1.055 118 T CA 0.755 62.804 62.100 -0.084 0.000 1.009 118 T CB 1.532 70.181 68.868 -0.364 0.000 1.118 118 T HN 2.065 nan 8.240 nan 0.000 0.497 119 A N 2.116 124.648 122.820 -0.480 0.000 2.238 119 A HA 0.380 4.700 4.320 -0.000 0.000 0.210 119 A C -0.414 176.652 177.584 -0.864 0.000 1.179 119 A CA 0.236 51.795 52.037 -0.797 0.000 0.827 119 A CB -0.189 18.152 19.000 -1.098 0.000 0.856 119 A HN 0.751 nan 8.150 nan 0.000 0.488 120 Y N 0.069 120.285 120.300 -0.141 0.000 2.326 120 Y HA 0.365 4.915 4.550 -0.000 0.000 0.331 120 Y C 0.091 175.910 175.900 -0.135 0.000 0.962 120 Y CA -1.185 56.860 58.100 -0.092 0.000 1.167 120 Y CB 0.816 39.264 38.460 -0.021 0.000 1.148 120 Y HN 0.248 nan 8.280 nan 0.000 0.463 121 N N 1.096 119.842 118.700 0.075 0.000 2.725 121 N HA -0.232 4.508 4.740 -0.000 0.000 0.251 121 N C 0.858 176.406 175.510 0.064 0.000 1.031 121 N CA 0.772 53.868 53.050 0.077 0.000 0.720 121 N CB -0.738 37.817 38.487 0.114 0.000 0.930 121 N HN 0.926 nan 8.380 nan 0.000 0.543 122 A N -0.238 122.592 122.820 0.017 0.000 2.019 122 A HA -0.030 4.290 4.320 -0.000 0.000 0.219 122 A C 2.161 179.909 177.584 0.274 0.000 1.164 122 A CA 0.950 53.062 52.037 0.126 0.000 0.644 122 A CB -0.073 18.958 19.000 0.052 0.000 0.805 122 A HN 0.438 nan 8.150 nan 0.000 0.449 123 L N -0.751 120.575 121.223 0.171 0.000 2.554 123 L HA 0.147 4.487 4.340 -0.000 0.000 0.226 123 L C 1.344 178.303 176.870 0.148 0.000 1.137 123 L CA -0.021 54.904 54.840 0.141 0.000 0.863 123 L CB -0.410 41.706 42.059 0.095 0.000 0.985 123 L HN 0.367 nan 8.230 nan 0.000 0.451 124 A N 0.796 123.738 122.820 0.202 0.000 2.401 124 A HA 0.397 4.717 4.320 -0.000 0.000 0.259 124 A C -2.170 175.496 177.584 0.136 0.000 1.103 124 A CA -1.150 50.992 52.037 0.175 0.000 0.789 124 A CB -0.350 18.771 19.000 0.201 0.000 1.035 124 A HN -0.052 nan 8.150 nan 0.000 0.491 125 P HA 0.010 nan 4.420 nan 0.000 0.262 125 P C 0.289 177.568 177.300 -0.035 0.000 1.182 125 P CA 0.260 63.362 63.100 0.004 0.000 0.761 125 P CB 0.407 32.121 31.700 0.023 0.000 0.795 126 K N 1.984 122.280 120.400 -0.175 0.000 2.589 126 K HA -0.070 4.250 4.320 -0.000 0.000 0.195 126 K C 1.624 178.168 176.600 -0.093 0.000 1.040 126 K CA 1.256 57.386 56.287 -0.261 0.000 0.950 126 K CB -0.339 31.905 32.500 -0.427 0.000 0.781 126 K HN 0.618 nan 8.250 nan 0.000 0.486 127 G N 0.208 108.983 108.800 -0.041 0.000 2.944 127 G HA2 0.196 4.156 3.960 -0.000 0.000 0.223 127 G HA3 0.196 4.156 3.960 -0.000 0.000 0.223 127 G C 0.132 175.045 174.900 0.022 0.000 1.071 127 G CA -0.115 44.979 45.100 -0.010 0.000 0.806 127 G HN 0.236 nan 8.290 nan 0.000 0.538 128 A N 2.094 124.943 122.820 0.048 0.000 2.520 128 A HA 0.569 4.889 4.320 -0.000 0.000 0.245 128 A C -1.937 175.711 177.584 0.106 0.000 1.072 128 A CA -0.656 51.434 52.037 0.089 0.000 0.761 128 A CB 0.366 19.430 19.000 0.107 0.000 1.004 128 A HN 0.226 nan 8.150 nan 0.000 0.499 129 P HA 0.239 nan 4.420 nan 0.000 0.283 129 P C -0.796 176.609 177.300 0.175 0.000 1.278 129 P CA -0.876 62.299 63.100 0.125 0.000 0.834 129 P CB 0.989 32.737 31.700 0.079 0.000 1.150 130 N N 0.581 119.369 118.700 0.146 0.000 2.513 130 N HA 0.248 4.988 4.740 -0.000 0.000 0.274 130 N C -2.223 173.391 175.510 0.174 0.000 1.189 130 N CA -1.367 51.763 53.050 0.134 0.000 0.975 130 N CB -0.578 37.967 38.487 0.098 0.000 1.157 130 N HN 0.241 nan 8.380 nan 0.000 0.465 131 P HA 0.002 nan 4.420 nan 0.000 0.260 131 P C -0.286 177.115 177.300 0.169 0.000 1.185 131 P CA 0.078 63.251 63.100 0.121 0.000 0.763 131 P CB 0.197 31.919 31.700 0.037 0.000 0.776 132 C N 1.834 121.295 119.300 0.269 0.000 3.307 132 C HA 0.772 5.232 4.460 -0.000 0.000 0.350 132 C C -0.932 174.273 174.990 0.357 0.000 1.549 132 C CA -0.802 58.383 59.018 0.279 0.000 1.396 132 C CB 1.829 29.735 27.740 0.276 0.000 1.970 132 C HN 0.511 nan 8.230 nan 0.000 0.441 133 E N -0.750 119.662 120.200 0.354 0.000 2.383 133 E HA 0.668 5.018 4.350 -0.000 0.000 0.275 133 E C -1.669 175.186 176.600 0.425 0.000 0.918 133 E CA -0.217 56.356 56.400 0.288 0.000 0.764 133 E CB 2.405 32.171 29.700 0.109 0.000 1.252 133 E HN 0.901 nan 8.360 nan 0.000 0.449 134 W N 0.384 121.749 121.300 0.109 0.000 2.923 134 W HA 0.582 5.242 4.660 -0.000 0.000 0.373 134 W C -1.568 175.029 176.519 0.130 0.000 1.205 134 W CA -0.596 56.800 57.345 0.085 0.000 1.180 134 W CB 0.465 29.950 29.460 0.041 0.000 1.477 134 W HN 0.189 nan 8.180 nan 0.000 0.581 166 H N 0.197 118.842 119.070 -0.709 0.000 2.573 166 H HA 0.841 5.397 4.556 -0.000 0.000 0.351 166 H C -0.413 174.438 175.328 -0.797 0.000 1.163 166 H CA -0.740 54.800 56.048 -0.846 0.000 1.205 166 H CB 1.450 30.431 29.762 -1.303 0.000 1.605 166 H HN 0.386 nan 8.280 nan 0.000 0.525 167 V N 2.351 122.071 119.914 -0.322 0.000 2.604 167 V HA 0.294 4.414 4.120 -0.000 0.000 0.305 167 V C -1.223 174.925 176.094 0.090 0.000 1.043 167 V CA -0.793 61.435 62.300 -0.120 0.000 0.888 167 V CB 1.748 33.464 31.823 -0.179 0.000 0.995 167 V HN 0.638 nan 8.190 nan 0.000 0.429 168 F N 3.663 123.680 119.950 0.112 0.000 2.577 168 F HA 0.850 5.377 4.527 -0.000 0.000 0.344 168 F C 0.203 176.054 175.800 0.086 0.000 1.145 168 F CA -0.106 57.990 58.000 0.160 0.000 0.996 168 F CB 1.312 40.510 39.000 0.330 0.000 1.248 168 F HN 0.644 nan 8.300 nan 0.000 0.447 169 G N 4.075 112.625 108.800 -0.418 0.000 2.911 169 G HA2 0.526 4.486 3.960 -0.000 0.000 0.299 169 G HA3 0.526 4.486 3.960 -0.000 0.000 0.299 169 G C -2.107 172.580 174.900 -0.355 0.000 1.283 169 G CA -0.768 44.140 45.100 -0.319 0.000 0.805 169 G HN 0.633 nan 8.290 nan 0.000 0.548 170 Q N -1.166 118.520 119.800 -0.189 0.000 2.309 170 Q HA 0.609 4.949 4.340 -0.000 0.000 0.273 170 Q C -1.726 174.243 176.000 -0.053 0.000 1.040 170 Q CA -0.937 54.787 55.803 -0.132 0.000 0.834 170 Q CB 2.143 30.817 28.738 -0.107 0.000 1.345 170 Q HN 1.072 nan 8.270 nan 0.000 0.414 171 A N 4.686 127.489 122.820 -0.029 0.000 2.431 171 A HA 0.510 4.830 4.320 -0.000 0.000 0.318 171 A C -2.251 175.355 177.584 0.038 0.000 1.330 171 A CA -1.210 50.844 52.037 0.027 0.000 0.804 171 A CB 0.764 19.788 19.000 0.040 0.000 1.135 171 A HN 0.732 nan 8.150 nan 0.000 0.483 172 P HA 0.003 nan 4.420 nan 0.000 0.238 172 P C 0.019 177.370 177.300 0.085 0.000 1.183 172 P CA 0.455 63.590 63.100 0.059 0.000 0.813 172 P CB 0.115 31.852 31.700 0.061 0.000 0.944 173 Y N 1.547 121.850 120.300 0.005 0.000 2.335 173 Y HA 0.365 4.915 4.550 -0.000 0.000 0.331 173 Y C 0.288 176.201 175.900 0.021 0.000 1.094 173 Y CA -0.394 57.708 58.100 0.004 0.000 1.253 173 Y CB 0.717 39.170 38.460 -0.012 0.000 1.203 173 Y HN -0.211 nan 8.280 nan 0.000 0.508 174 S N 5.106 120.402 115.700 -0.673 0.000 2.420 174 S HA 0.675 5.145 4.470 -0.000 0.000 0.313 174 S C 0.022 174.258 174.600 -0.607 0.000 1.079 174 S CA -0.218 57.723 58.200 -0.431 0.000 1.104 174 S CB -0.309 62.732 63.200 -0.265 0.000 0.969 174 S HN 1.054 nan 8.310 nan 0.000 0.471 175 G N 3.529 112.207 108.800 -0.202 0.000 2.552 175 G HA2 0.512 4.472 3.960 -0.000 0.000 0.318 175 G HA3 0.512 4.472 3.960 -0.000 0.000 0.318 175 G C 0.822 175.696 174.900 -0.042 0.000 1.240 175 G CA -0.811 44.266 45.100 -0.040 0.000 1.002 175 G HN 0.697 nan 8.290 nan 0.000 0.493 176 I N -0.547 119.978 120.570 -0.075 0.000 2.193 176 I HA 0.009 4.179 4.170 -0.000 0.000 0.240 176 I C 0.979 176.850 176.117 -0.411 0.000 1.084 176 I CA 1.063 62.262 61.300 -0.169 0.000 1.365 176 I CB 0.064 37.978 38.000 -0.143 0.000 1.064 176 I HN 0.457 nan 8.210 nan 0.000 0.410 177 N N -0.974 117.514 118.700 -0.354 0.000 2.825 177 N HA 0.483 5.223 4.740 -0.000 0.000 0.253 177 N C -1.570 173.934 175.510 -0.009 0.000 1.426 177 N CA -0.591 52.151 53.050 -0.514 0.000 0.851 177 N CB 1.676 39.974 38.487 -0.313 0.000 1.470 177 N HN -0.059 nan 8.380 nan 0.000 0.517 178 I N 1.251 121.956 120.570 0.225 0.000 2.447 178 I HA 0.422 4.592 4.170 -0.000 0.000 0.287 178 I C -0.160 176.125 176.117 0.281 0.000 1.023 178 I CA -0.514 60.987 61.300 0.335 0.000 1.083 178 I CB 1.822 40.061 38.000 0.399 0.000 1.245 178 I HN 0.712 nan 8.210 nan 0.000 0.434 179 T N 1.103 115.847 114.554 0.315 0.000 2.742 179 T HA 0.360 4.710 4.350 -0.000 0.000 0.282 179 T C 0.629 175.389 174.700 0.100 0.000 1.025 179 T CA -0.727 61.472 62.100 0.165 0.000 1.020 179 T CB 1.747 70.727 68.868 0.188 0.000 1.317 179 T HN 0.383 nan 8.240 nan 0.000 0.538 180 K N 0.382 120.732 120.400 -0.084 0.000 2.442 180 K HA 0.002 4.322 4.320 -0.000 0.000 0.198 180 K C 1.677 178.286 176.600 0.014 0.000 1.044 180 K CA 1.238 57.444 56.287 -0.134 0.000 0.948 180 K CB -0.381 32.011 32.500 -0.181 0.000 0.762 180 K HN 0.564 nan 8.250 nan 0.000 0.472 181 E N -0.286 119.832 120.200 -0.136 0.000 2.435 181 E HA 0.100 4.450 4.350 -0.000 0.000 0.195 181 E C 0.888 177.355 176.600 -0.223 0.000 1.029 181 E CA 0.764 56.893 56.400 -0.453 0.000 0.865 181 E CB 0.228 29.063 29.700 -1.442 0.000 0.833 181 E HN 0.426 nan 8.360 nan 0.000 0.510 182 G N 1.680 110.567 108.800 0.145 0.000 2.384 182 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.204 182 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.204 182 G C -0.280 174.893 174.900 0.454 0.000 1.237 182 G CA -0.422 44.836 45.100 0.262 0.000 1.060 182 G HN 0.217 nan 8.290 nan 0.000 0.514 183 I N -1.404 119.426 120.570 0.434 0.000 2.474 183 I HA 0.654 4.824 4.170 -0.000 0.000 0.287 183 I C 0.271 176.555 176.117 0.278 0.000 1.048 183 I CA -0.505 61.007 61.300 0.355 0.000 1.383 183 I CB 1.394 39.589 38.000 0.325 0.000 1.412 183 I HN 0.687 nan 8.210 nan 0.000 0.531 184 Q N 6.176 126.032 119.800 0.094 0.000 2.296 184 Q HA 0.344 4.684 4.340 -0.000 0.000 0.257 184 Q C 0.537 176.515 176.000 -0.037 0.000 0.942 184 Q CA -0.553 55.137 55.803 -0.187 0.000 0.939 184 Q CB 1.436 29.969 28.738 -0.342 0.000 1.198 184 Q HN 0.933 nan 8.270 nan 0.000 0.429 185 I N 0.559 121.104 120.570 -0.042 0.000 3.793 185 I HA 0.474 4.644 4.170 -0.000 0.000 0.315 185 I C 0.630 176.750 176.117 0.004 0.000 1.275 185 I CA 0.208 61.539 61.300 0.052 0.000 1.214 185 I CB 0.242 38.236 38.000 -0.009 0.000 1.018 185 I HN 0.651 nan 8.210 nan 0.000 0.439 186 G N 1.373 110.127 108.800 -0.076 0.000 2.398 186 G HA2 0.357 4.317 3.960 -0.000 0.000 0.251 186 G HA3 0.357 4.317 3.960 -0.000 0.000 0.251 186 G C -1.157 173.676 174.900 -0.111 0.000 1.277 186 G CA 0.045 45.102 45.100 -0.072 0.000 0.927 186 G HN 0.722 nan 8.290 nan 0.000 0.477 187 V N -3.421 116.450 119.914 -0.071 0.000 2.766 187 V HA 0.593 4.713 4.120 -0.000 0.000 0.286 187 V C -0.647 175.427 176.094 -0.032 0.000 1.237 187 V CA -0.816 61.445 62.300 -0.065 0.000 0.934 187 V CB 1.289 33.070 31.823 -0.070 0.000 1.068 187 V HN 0.803 nan 8.190 nan 0.000 0.451 188 E N 3.827 124.016 120.200 -0.018 0.000 1.833 188 E HA 0.398 4.748 4.350 -0.000 0.000 0.258 188 E C 1.328 177.927 176.600 -0.003 0.000 1.257 188 E CA 0.994 57.392 56.400 -0.005 0.000 1.003 188 E CB 0.381 30.085 29.700 0.006 0.000 1.068 188 E HN 1.472 nan 8.360 nan 0.000 0.422 189 G N 3.846 112.642 108.800 -0.006 0.000 3.377 189 G HA2 -0.428 3.532 3.960 -0.000 0.000 0.304 189 G HA3 -0.428 3.532 3.960 -0.000 0.000 0.304 189 G C 0.878 175.774 174.900 -0.007 0.000 1.366 189 G CA 0.418 45.515 45.100 -0.004 0.000 1.020 189 G HN 0.549 nan 8.290 nan 0.000 0.621 190 Q N 0.331 120.129 119.800 -0.003 0.000 2.378 190 Q HA 0.244 4.584 4.340 -0.000 0.000 0.229 190 Q C 0.715 176.713 176.000 -0.003 0.000 0.882 190 Q CA 0.799 56.600 55.803 -0.003 0.000 0.936 190 Q CB 0.784 29.523 28.738 0.001 0.000 1.092 190 Q HN 0.545 nan 8.270 nan 0.000 0.535 191 T N 2.548 117.103 114.554 0.001 0.000 2.899 191 T HA 0.313 4.663 4.350 -0.000 0.000 0.284 191 T C -2.542 172.147 174.700 -0.018 0.000 1.004 191 T CA -1.392 60.713 62.100 0.008 0.000 1.043 191 T CB 1.242 70.124 68.868 0.024 0.000 1.013 191 T HN -0.143 nan 8.240 nan 0.000 0.518 192 P HA 0.389 nan 4.420 nan 0.000 0.301 192 P C -0.854 176.336 177.300 -0.183 0.000 1.348 192 P CA -0.864 62.152 63.100 -0.140 0.000 0.826 192 P CB 0.720 32.311 31.700 -0.182 0.000 0.945 193 K N 3.360 123.645 120.400 -0.192 0.000 2.234 193 K HA 0.348 4.668 4.320 -0.000 0.000 0.282 193 K C -0.318 176.136 176.600 -0.242 0.000 1.039 193 K CA -0.289 55.928 56.287 -0.117 0.000 0.928 193 K CB 0.178 32.645 32.500 -0.056 0.000 1.039 193 K HN 0.425 nan 8.250 nan 0.000 0.470 194 Y N -0.084 120.220 120.300 0.007 0.000 2.487 194 Y HA 0.454 5.004 4.550 -0.000 0.000 0.337 194 Y C 0.656 176.530 175.900 -0.043 0.000 1.076 194 Y CA -1.103 57.002 58.100 0.009 0.000 1.115 194 Y CB 1.547 40.028 38.460 0.035 0.000 1.235 194 Y HN 0.620 nan 8.280 nan 0.000 0.468 195 A N 1.503 124.377 122.820 0.089 0.000 2.498 195 A HA 0.049 4.369 4.320 -0.000 0.000 0.239 195 A C -0.142 177.349 177.584 -0.155 0.000 1.068 195 A CA -0.284 51.665 52.037 -0.147 0.000 0.766 195 A CB -0.064 18.761 19.000 -0.293 0.000 1.003 195 A HN 0.708 nan 8.150 nan 0.000 0.497 196 D N 2.050 122.249 120.400 -0.335 0.000 2.352 196 D HA 0.098 4.738 4.640 -0.000 0.000 0.245 196 D C 1.020 177.136 176.300 -0.307 0.000 1.224 196 D CA -0.010 53.837 54.000 -0.256 0.000 0.879 196 D CB 0.486 41.131 40.800 -0.259 0.000 1.057 196 D HN 0.550 nan 8.370 nan 0.000 0.491 197 K N 1.293 121.638 120.400 -0.091 0.000 2.127 197 K HA -0.239 4.081 4.320 -0.000 0.000 0.212 197 K C 1.903 178.481 176.600 -0.036 0.000 1.050 197 K CA 2.093 58.383 56.287 0.006 0.000 0.929 197 K CB -0.258 32.336 32.500 0.156 0.000 0.715 197 K HN 0.566 nan 8.250 nan 0.000 0.457 198 T N -1.077 113.489 114.554 0.019 0.000 2.881 198 T HA -0.168 4.182 4.350 -0.000 0.000 0.270 198 T C 1.487 176.284 174.700 0.162 0.000 1.068 198 T CA 1.365 63.526 62.100 0.103 0.000 1.131 198 T CB -0.310 68.659 68.868 0.169 0.000 0.871 198 T HN 0.467 nan 8.240 nan 0.000 0.479 199 F N -0.908 118.985 119.950 -0.096 0.000 3.031 199 F HA 0.528 5.055 4.527 -0.000 0.000 0.365 199 F C -0.121 175.571 175.800 -0.179 0.000 1.128 199 F CA -1.202 56.731 58.000 -0.112 0.000 1.068 199 F CB 0.338 39.291 39.000 -0.079 0.000 1.280 199 F HN 0.015 nan 8.300 nan 0.000 0.529 200 Q N 3.848 123.161 119.800 -0.811 0.000 2.342 200 Q HA 0.470 4.810 4.340 -0.000 0.000 0.267 200 Q C -2.666 172.816 176.000 -0.863 0.000 1.038 200 Q CA -2.343 52.974 55.803 -0.811 0.000 0.832 200 Q CB 2.524 30.687 28.738 -0.960 0.000 1.323 200 Q HN -0.029 nan 8.270 nan 0.000 0.448 201 P HA 0.028 nan 4.420 nan 0.000 0.274 201 P C -0.971 176.140 177.300 -0.315 0.000 1.256 201 P CA -0.233 62.533 63.100 -0.556 0.000 0.795 201 P CB 0.857 32.277 31.700 -0.467 0.000 1.038 202 E N 1.341 121.416 120.200 -0.209 0.000 2.174 202 E HA 0.177 4.527 4.350 -0.000 0.000 0.282 202 E C -1.720 174.871 176.600 -0.016 0.000 0.992 202 E CA -1.791 54.574 56.400 -0.057 0.000 0.803 202 E CB 0.594 30.304 29.700 0.017 0.000 1.090 202 E HN 0.307 nan 8.360 nan 0.000 0.396 203 P HA -0.276 nan 4.420 nan 0.000 0.217 203 P C 0.857 178.183 177.300 0.043 0.000 1.148 203 P CA 1.504 64.620 63.100 0.026 0.000 0.834 203 P CB 0.165 31.882 31.700 0.030 0.000 0.783 204 Q N -1.012 118.815 119.800 0.045 0.000 2.224 204 Q HA -0.016 4.324 4.340 -0.000 0.000 0.203 204 Q C 0.722 176.759 176.000 0.061 0.000 0.970 204 Q CA 0.673 56.508 55.803 0.052 0.000 0.865 204 Q CB -0.528 28.241 28.738 0.051 0.000 0.922 204 Q HN 0.287 nan 8.270 nan 0.000 0.445 205 I N 0.821 121.434 120.570 0.072 0.000 2.428 205 I HA 0.535 4.705 4.170 -0.000 0.000 0.296 205 I C 0.363 176.555 176.117 0.126 0.000 0.985 205 I CA -0.562 60.801 61.300 0.105 0.000 1.260 205 I CB 1.612 39.697 38.000 0.143 0.000 1.389 205 I HN 0.124 nan 8.210 nan 0.000 0.484 206 G N 3.925 112.782 108.800 0.095 0.000 2.663 206 G HA2 0.336 4.296 3.960 -0.000 0.000 0.299 206 G HA3 0.336 4.296 3.960 -0.000 0.000 0.299 206 G C -1.347 173.558 174.900 0.008 0.000 1.372 206 G CA -0.653 44.481 45.100 0.058 0.000 0.781 206 G HN 0.507 nan 8.290 nan 0.000 0.491 207 E N -0.048 120.134 120.200 -0.029 0.000 2.415 207 E HA 0.139 4.489 4.350 -0.000 0.000 0.262 207 E C 1.309 177.875 176.600 -0.056 0.000 1.038 207 E CA 0.598 56.957 56.400 -0.068 0.000 0.921 207 E CB 1.308 30.953 29.700 -0.091 0.000 0.950 207 E HN 0.488 nan 8.360 nan 0.000 0.438 208 S N 2.311 117.966 115.700 -0.076 0.000 2.406 208 S HA -0.119 4.351 4.470 -0.000 0.000 0.224 208 S C 0.635 175.179 174.600 -0.093 0.000 1.030 208 S CA 0.042 58.206 58.200 -0.059 0.000 0.958 208 S CB 0.070 63.241 63.200 -0.047 0.000 0.811 208 S HN 0.426 nan 8.310 nan 0.000 0.489 209 Q N 1.433 121.099 119.800 -0.223 0.000 2.312 209 Q HA 0.308 4.648 4.340 -0.000 0.000 0.236 209 Q C 1.051 176.831 176.000 -0.368 0.000 0.965 209 Q CA -0.653 54.906 55.803 -0.407 0.000 0.894 209 Q CB -0.016 28.182 28.738 -0.901 0.000 1.225 209 Q HN 0.654 nan 8.270 nan 0.000 0.478 210 W N 0.351 121.461 121.300 -0.316 0.000 2.576 210 W HA 0.062 4.722 4.660 -0.000 0.000 0.270 210 W C -0.282 176.174 176.519 -0.105 0.000 1.255 210 W CA -0.324 56.932 57.345 -0.147 0.000 1.314 210 W CB -0.564 28.876 29.460 -0.033 0.000 1.101 210 W HN 0.636 nan 8.180 nan 0.000 0.595 211 Y N 1.549 121.359 120.300 -0.817 0.000 2.304 211 Y HA 0.508 5.058 4.550 -0.000 0.000 0.327 211 Y C 0.173 175.894 175.900 -0.299 0.000 1.209 211 Y CA -2.181 55.521 58.100 -0.663 0.000 1.299 211 Y CB 0.031 37.816 38.460 -1.126 0.000 1.249 211 Y HN -0.084 nan 8.280 nan 0.000 0.519 212 E N 1.492 121.728 120.200 0.060 0.000 2.351 212 E HA 0.026 4.376 4.350 -0.000 0.000 0.266 212 E C -0.003 176.652 176.600 0.091 0.000 1.031 212 E CA 0.168 56.594 56.400 0.043 0.000 0.911 212 E CB 0.799 30.522 29.700 0.038 0.000 0.986 212 E HN 0.836 nan 8.360 nan 0.000 0.446 213 T N 3.188 117.776 114.554 0.057 0.000 3.069 213 T HA -0.009 4.341 4.350 -0.000 0.000 0.252 213 T C -0.620 174.090 174.700 0.017 0.000 1.053 213 T CA -0.025 62.115 62.100 0.067 0.000 0.964 213 T CB 0.015 68.919 68.868 0.060 0.000 1.005 213 T HN 0.607 nan 8.240 nan 0.000 0.532 214 E N 1.150 121.352 120.200 0.004 0.000 5.234 214 E HA -0.123 4.227 4.350 -0.000 0.000 0.170 214 E C -0.879 175.715 176.600 -0.009 0.000 1.556 214 E CA -0.053 56.344 56.400 -0.005 0.000 1.185 214 E CB -1.093 28.604 29.700 -0.005 0.000 1.023 214 E HN 0.519 nan 8.360 nan 0.000 0.337 215 I N 3.027 123.588 120.570 -0.016 0.000 2.416 215 I HA 0.050 4.220 4.170 -0.000 0.000 0.288 215 I C 1.537 177.640 176.117 -0.023 0.000 1.051 215 I CA -0.268 61.023 61.300 -0.015 0.000 1.375 215 I CB 0.595 38.580 38.000 -0.025 0.000 1.407 215 I HN 0.415 nan 8.210 nan 0.000 0.516 216 N N 3.504 122.193 118.700 -0.018 0.000 2.402 216 N HA 0.009 4.749 4.740 -0.000 0.000 0.174 216 N C -0.130 175.163 175.510 -0.361 0.000 1.027 216 N CA 0.766 53.722 53.050 -0.156 0.000 0.891 216 N CB 0.248 38.654 38.487 -0.135 0.000 1.016 216 N HN 0.566 nan 8.380 nan 0.000 0.439 217 H N -0.082 119.001 119.070 0.023 0.000 2.736 217 H HA 0.586 5.142 4.556 -0.000 0.000 0.271 217 H C -0.576 174.784 175.328 0.053 0.000 1.184 217 H CA -0.524 55.556 56.048 0.054 0.000 1.378 217 H CB 1.061 30.857 29.762 0.057 0.000 1.428 217 H HN 0.077 nan 8.280 nan 0.000 0.500 218 A N 2.132 125.028 122.820 0.127 0.000 2.311 218 A HA 0.937 5.257 4.320 -0.000 0.000 0.334 218 A C -0.425 177.269 177.584 0.182 0.000 1.139 218 A CA -0.226 51.883 52.037 0.121 0.000 0.830 218 A CB 0.929 19.967 19.000 0.064 0.000 1.234 218 A HN 0.701 nan 8.150 nan 0.000 0.483 219 A N -0.246 122.705 122.820 0.218 0.000 2.527 219 A HA 0.992 5.312 4.320 -0.000 0.000 0.293 219 A C -0.088 177.608 177.584 0.186 0.000 1.117 219 A CA -0.117 52.066 52.037 0.244 0.000 0.723 219 A CB 1.635 20.817 19.000 0.303 0.000 1.313 219 A HN 2.430 nan 8.150 nan 0.000 0.411 220 G N -0.249 108.656 108.800 0.174 0.000 2.495 220 G HA2 0.580 4.540 3.960 -0.000 0.000 0.294 220 G HA3 0.580 4.540 3.960 -0.000 0.000 0.294 220 G C -1.685 173.290 174.900 0.125 0.000 1.397 220 G CA -0.889 44.274 45.100 0.105 0.000 0.790 220 G HN 0.740 nan 8.290 nan 0.000 0.486 221 R N -1.085 119.459 120.500 0.073 0.000 2.711 221 R HA 0.806 5.146 4.340 -0.000 0.000 0.284 221 R C -1.159 175.183 176.300 0.070 0.000 0.968 221 R CA -0.848 55.304 56.100 0.086 0.000 0.924 221 R CB 2.517 32.842 30.300 0.041 0.000 1.162 221 R HN 0.508 nan 8.270 nan 0.000 0.465 222 V N 3.220 123.183 119.914 0.082 0.000 3.159 222 V HA 0.506 4.626 4.120 -0.000 0.000 0.308 222 V C -1.441 174.698 176.094 0.075 0.000 1.190 222 V CA -0.979 61.364 62.300 0.071 0.000 1.037 222 V CB 2.550 34.413 31.823 0.068 0.000 1.060 222 V HN 0.567 nan 8.190 nan 0.000 0.437 223 L N 4.120 125.393 121.223 0.083 0.000 2.282 223 L HA 0.536 4.876 4.340 -0.000 0.000 0.288 223 L C 0.295 177.217 176.870 0.087 0.000 1.033 223 L CA -0.594 54.292 54.840 0.077 0.000 0.807 223 L CB 1.401 43.506 42.059 0.077 0.000 1.209 223 L HN 0.603 nan 8.230 nan 0.000 0.423 224 K N 1.973 122.415 120.400 0.069 0.000 2.336 224 K HA -0.020 4.300 4.320 -0.000 0.000 0.262 224 K C 1.031 177.682 176.600 0.085 0.000 0.992 224 K CA -0.106 56.221 56.287 0.068 0.000 0.927 224 K CB 0.670 33.199 32.500 0.047 0.000 0.956 224 K HN 0.545 nan 8.250 nan 0.000 0.495 225 K N -0.235 120.220 120.400 0.091 0.000 2.442 225 K HA -0.111 4.209 4.320 -0.000 0.000 0.198 225 K C 1.137 177.791 176.600 0.090 0.000 1.044 225 K CA 1.679 58.035 56.287 0.115 0.000 0.948 225 K CB -0.225 32.344 32.500 0.114 0.000 0.762 225 K HN 0.619 nan 8.250 nan 0.000 0.472 226 T N -1.881 112.712 114.554 0.065 0.000 3.085 226 T HA -0.009 4.341 4.350 -0.000 0.000 0.263 226 T C 0.665 175.392 174.700 0.045 0.000 1.127 226 T CA 0.194 62.324 62.100 0.049 0.000 1.103 226 T CB -0.122 68.768 68.868 0.036 0.000 0.921 226 T HN 0.044 nan 8.240 nan 0.000 0.510 227 T N 5.146 119.731 114.554 0.051 0.000 2.744 227 T HA 0.393 4.743 4.350 -0.000 0.000 0.291 227 T C -2.542 172.187 174.700 0.050 0.000 0.957 227 T CA -1.374 60.751 62.100 0.042 0.000 1.002 227 T CB 1.368 70.259 68.868 0.038 0.000 0.919 227 T HN 0.192 nan 8.240 nan 0.000 0.468 228 P HA 0.054 nan 4.420 nan 0.000 0.266 228 P C -0.315 177.007 177.300 0.036 0.000 1.195 228 P CA -0.265 62.855 63.100 0.035 0.000 0.768 228 P CB 0.613 32.326 31.700 0.022 0.000 0.838 229 M N 3.149 122.768 119.600 0.033 0.000 2.217 229 M HA 0.133 4.613 4.480 -0.000 0.000 0.354 229 M C 0.211 176.520 176.300 0.016 0.000 1.225 229 M CA 0.632 55.949 55.300 0.028 0.000 1.137 229 M CB 0.274 32.874 32.600 0.000 0.000 1.576 229 M HN 0.194 nan 8.290 nan 0.000 0.461 230 K N 4.503 124.922 120.400 0.030 0.000 2.527 230 K HA 0.527 4.847 4.320 -0.000 0.000 0.260 230 K C -2.750 173.883 176.600 0.054 0.000 0.937 230 K CA -1.800 54.508 56.287 0.035 0.000 0.826 230 K CB 1.698 34.222 32.500 0.039 0.000 1.359 230 K HN 0.297 nan 8.250 nan 0.000 0.434 231 P HA 0.029 nan 4.420 nan 0.000 0.268 231 P C 0.920 178.293 177.300 0.122 0.000 1.208 231 P CA -0.157 62.998 63.100 0.092 0.000 0.777 231 P CB 0.599 32.361 31.700 0.103 0.000 0.875 232 C N 3.329 122.712 119.300 0.137 0.000 2.413 232 C HA -0.165 4.295 4.460 -0.000 0.000 0.276 232 C C 1.380 176.475 174.990 0.176 0.000 1.236 232 C CA 0.441 59.544 59.018 0.142 0.000 1.735 232 C CB -1.580 26.246 27.740 0.142 0.000 2.031 232 C HN 0.524 nan 8.230 nan 0.000 0.474 233 Y N 1.213 121.557 120.300 0.074 0.000 2.745 233 Y HA 0.367 4.917 4.550 -0.000 0.000 0.335 233 Y C 1.220 177.181 175.900 0.101 0.000 1.212 233 Y CA 1.298 59.447 58.100 0.081 0.000 1.535 233 Y CB -0.059 38.431 38.460 0.051 0.000 1.220 233 Y HN 0.660 nan 8.280 nan 0.000 0.531 234 G N 3.016 111.690 108.800 -0.210 0.000 2.195 234 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.246 234 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.246 234 G C 0.235 175.195 174.900 0.101 0.000 0.984 234 G CA 0.140 45.209 45.100 -0.053 0.000 0.633 234 G HN 0.716 nan 8.290 nan 0.000 0.525 235 S N 0.228 115.978 115.700 0.084 0.000 2.531 235 S HA 0.558 5.028 4.470 -0.000 0.000 0.279 235 S C -0.479 174.108 174.600 -0.021 0.000 1.305 235 S CA 0.067 58.293 58.200 0.043 0.000 1.058 235 S CB 1.001 64.231 63.200 0.049 0.000 0.899 235 S HN 0.751 nan 8.310 nan 0.000 0.493 236 Y N 1.412 121.544 120.300 -0.281 0.000 2.534 236 Y HA 0.626 5.176 4.550 -0.000 0.000 0.345 236 Y C -1.099 174.655 175.900 -0.244 0.000 1.031 236 Y CA -0.996 56.826 58.100 -0.463 0.000 1.022 236 Y CB 1.405 39.264 38.460 -1.001 0.000 1.292 236 Y HN 0.667 nan 8.280 nan 0.000 0.459 237 A N 5.698 127.813 122.820 -1.175 0.000 2.485 237 A HA 0.478 4.798 4.320 -0.000 0.000 0.285 237 A C -1.457 175.553 177.584 -0.956 0.000 1.045 237 A CA -0.999 50.535 52.037 -0.839 0.000 0.792 237 A CB 0.672 19.453 19.000 -0.366 0.000 1.307 237 A HN 0.803 nan 8.150 nan 0.000 0.406 238 K N 3.298 123.237 120.400 -0.768 0.000 2.485 238 K HA 0.353 4.673 4.320 -0.000 0.000 0.277 238 K C -2.387 174.100 176.600 -0.190 0.000 0.990 238 K CA -0.653 55.425 56.287 -0.348 0.000 0.994 238 K CB 0.345 32.795 32.500 -0.083 0.000 0.906 238 K HN 0.351 nan 8.250 nan 0.000 0.488 239 P HA 0.011 nan 4.420 nan 0.000 0.278 239 P C -0.110 177.170 177.300 -0.034 0.000 1.238 239 P CA -0.403 62.664 63.100 -0.055 0.000 0.794 239 P CB 1.311 32.996 31.700 -0.024 0.000 0.955 240 T N -1.732 112.806 114.554 -0.027 0.000 3.092 240 T HA 0.198 4.548 4.350 -0.000 0.000 0.258 240 T C 0.222 174.915 174.700 -0.012 0.000 1.031 240 T CA -0.304 61.787 62.100 -0.016 0.000 0.925 240 T CB -0.757 68.105 68.868 -0.010 0.000 1.036 240 T HN 0.593 nan 8.240 nan 0.000 0.544 241 N N -0.691 117.995 118.700 -0.023 0.000 2.484 241 N HA 0.234 4.974 4.740 -0.000 0.000 0.269 241 N C 0.172 175.636 175.510 -0.077 0.000 1.237 241 N CA -0.993 52.033 53.050 -0.040 0.000 0.838 241 N CB 1.269 39.739 38.487 -0.029 0.000 1.593 241 N HN -0.008 nan 8.380 nan 0.000 0.485 242 E N -0.168 119.975 120.200 -0.095 0.000 2.396 242 E HA -0.172 4.178 4.350 -0.000 0.000 0.200 242 E C -0.053 176.435 176.600 -0.186 0.000 1.023 242 E CA 0.962 57.294 56.400 -0.113 0.000 0.857 242 E CB -0.098 29.541 29.700 -0.102 0.000 0.775 242 E HN 0.488 nan 8.360 nan 0.000 0.525 243 N N -0.611 117.912 118.700 -0.295 0.000 2.322 243 N HA 0.039 4.779 4.740 -0.000 0.000 0.194 243 N C 0.853 176.209 175.510 -0.257 0.000 1.126 243 N CA 0.831 53.582 53.050 -0.498 0.000 0.845 243 N CB 1.256 38.940 38.487 -1.338 0.000 0.976 243 N HN 0.321 nan 8.380 nan 0.000 0.475 244 G N -0.028 108.702 108.800 -0.118 0.000 2.175 244 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.244 244 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.244 244 G C 0.503 175.407 174.900 0.008 0.000 0.982 244 G CA -0.080 45.000 45.100 -0.033 0.000 0.641 244 G HN 0.557 nan 8.290 nan 0.000 0.527 245 G N -0.509 108.311 108.800 0.033 0.000 2.544 245 G HA2 0.478 4.438 3.960 -0.000 0.000 0.242 245 G HA3 0.478 4.438 3.960 -0.000 0.000 0.242 245 G C 0.371 175.275 174.900 0.006 0.000 1.247 245 G CA 0.136 45.271 45.100 0.058 0.000 0.840 245 G HN 0.507 nan 8.290 nan 0.000 0.578 246 Q N 1.380 121.176 119.800 -0.007 0.000 2.233 246 Q HA 0.237 4.577 4.340 -0.000 0.000 0.340 246 Q C 1.709 177.694 176.000 -0.026 0.000 0.899 246 Q CA -0.085 55.693 55.803 -0.042 0.000 1.139 246 Q CB 1.202 29.888 28.738 -0.087 0.000 1.273 246 Q HN 0.685 nan 8.270 nan 0.000 0.431 247 G N 0.592 109.392 108.800 -0.001 0.000 2.418 247 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.217 247 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.217 247 G C 0.937 175.839 174.900 0.002 0.000 1.158 247 G CA 1.186 46.291 45.100 0.009 0.000 0.771 247 G HN 0.419 nan 8.290 nan 0.000 0.545 248 I N -3.642 116.926 120.570 -0.003 0.000 1.251 248 I HA -0.008 4.162 4.170 -0.000 0.000 0.295 248 I C -0.624 175.492 176.117 -0.002 0.000 0.524 248 I CA -0.308 60.990 61.300 -0.003 0.000 3.160 248 I CB -0.119 37.883 38.000 0.004 0.000 1.706 248 I HN 0.016 nan 8.210 nan 0.000 0.523 249 L N 1.133 122.358 121.223 0.004 0.000 3.445 249 L HA 0.006 4.346 4.340 -0.000 0.000 0.410 249 L C -0.893 175.980 176.870 0.005 0.000 1.025 249 L CA -0.402 54.440 54.840 0.004 0.000 1.245 249 L CB -0.920 41.140 42.059 0.002 0.000 1.841 249 L HN 0.171 nan 8.230 nan 0.000 0.468 250 V N 0.924 120.842 119.914 0.006 0.000 2.668 250 V HA 0.811 4.931 4.120 -0.000 0.000 0.304 250 V C -0.045 176.053 176.094 0.006 0.000 1.071 250 V CA 0.090 62.393 62.300 0.005 0.000 0.894 250 V CB 1.810 33.636 31.823 0.005 0.000 1.008 250 V HN 0.395 nan 8.190 nan 0.000 0.425 251 K N 3.580 123.983 120.400 0.006 0.000 2.972 251 K HA -0.196 4.124 4.320 -0.000 0.000 0.853 251 K C 0.688 177.292 176.600 0.006 0.000 2.102 251 K CA 0.698 56.989 56.287 0.005 0.000 1.382 251 K CB -0.721 31.782 32.500 0.005 0.000 2.605 251 K HN 0.939 nan 8.250 nan 0.000 0.218 252 Q N 0.933 120.737 119.800 0.006 0.000 2.331 252 Q HA 0.067 4.407 4.340 -0.000 0.000 0.203 252 Q C 0.235 176.238 176.000 0.004 0.000 0.944 252 Q CA 0.902 56.708 55.803 0.004 0.000 0.892 252 Q CB 0.477 29.217 28.738 0.004 0.000 0.983 252 Q HN 0.395 nan 8.270 nan 0.000 0.482 253 Q N -1.227 118.575 119.800 0.004 0.000 2.756 253 Q HA 0.190 4.530 4.340 -0.000 0.000 0.295 253 Q C -0.870 175.132 176.000 0.003 0.000 0.903 253 Q CA -0.719 55.086 55.803 0.003 0.000 0.768 253 Q CB 1.011 29.750 28.738 0.002 0.000 1.472 253 Q HN 0.052 nan 8.270 nan 0.000 0.416 254 N N -0.323 118.379 118.700 0.003 0.000 1.366 254 N HA -0.262 4.478 4.740 -0.000 0.000 0.141 254 N C 0.237 175.749 175.510 0.003 0.000 0.460 254 N CA 2.045 55.097 53.050 0.002 0.000 1.090 254 N CB -1.523 36.965 38.487 0.002 0.000 1.396 254 N HN 0.762 nan 8.380 nan 0.000 0.443 255 G N 1.515 110.317 108.800 0.003 0.000 2.415 255 G HA2 0.491 4.451 3.960 -0.000 0.000 0.269 255 G HA3 0.491 4.451 3.960 -0.000 0.000 0.269 255 G C -0.100 174.802 174.900 0.005 0.000 1.209 255 G CA 0.144 45.247 45.100 0.004 0.000 0.835 255 G HN 0.736 nan 8.290 nan 0.000 0.534 256 K N 2.405 122.808 120.400 0.005 0.000 2.568 256 K HA 0.300 4.620 4.320 -0.000 0.000 0.273 256 K C -0.564 176.039 176.600 0.006 0.000 0.951 256 K CA -0.818 55.473 56.287 0.006 0.000 0.854 256 K CB 0.870 33.374 32.500 0.006 0.000 1.424 256 K HN 0.336 nan 8.250 nan 0.000 0.427 257 L N 0.898 122.125 121.223 0.007 0.000 2.240 257 L HA 0.035 4.375 4.340 -0.000 0.000 0.166 257 L C 1.482 178.358 176.870 0.011 0.000 0.893 257 L CA 0.131 54.977 54.840 0.010 0.000 1.058 257 L CB -0.269 41.798 42.059 0.013 0.000 1.371 257 L HN 0.662 nan 8.230 nan 0.000 0.480 258 E N -0.580 119.629 120.200 0.014 0.000 2.683 258 E HA -0.026 4.324 4.350 -0.000 0.000 0.266 258 E C 0.690 177.300 176.600 0.016 0.000 1.434 258 E CA 0.284 56.694 56.400 0.018 0.000 1.137 258 E CB 0.360 30.074 29.700 0.023 0.000 0.992 258 E HN 0.572 nan 8.360 nan 0.000 0.607 259 S N -0.712 115.000 115.700 0.019 0.000 2.836 259 S HA 0.182 4.652 4.470 -0.000 0.000 0.164 259 S C 0.423 175.033 174.600 0.017 0.000 0.714 259 S CA -0.458 57.752 58.200 0.017 0.000 0.906 259 S CB 0.405 63.616 63.200 0.018 0.000 0.702 259 S HN 0.472 nan 8.310 nan 0.000 0.571 260 Q N -0.965 118.848 119.800 0.022 0.000 2.397 260 Q HA 0.569 4.909 4.340 -0.000 0.000 0.384 260 Q C -1.551 174.467 176.000 0.030 0.000 0.574 260 Q CA -0.359 55.456 55.803 0.021 0.000 1.025 260 Q CB 0.905 29.652 28.738 0.014 0.000 0.985 260 Q HN 0.646 nan 8.270 nan 0.000 0.456 261 V N 0.183 120.112 119.914 0.024 0.000 2.115 261 V HA -0.023 4.097 4.120 -0.000 0.000 0.344 261 V C -1.842 174.252 176.094 -0.000 0.000 1.564 261 V CA -0.617 61.702 62.300 0.032 0.000 0.889 261 V CB 0.658 32.525 31.823 0.073 0.000 1.226 261 V HN 0.742 nan 8.190 nan 0.000 0.228 262 E N 1.916 122.098 120.200 -0.029 0.000 2.311 262 E HA 0.590 4.940 4.350 -0.000 0.000 0.281 262 E C -1.136 175.341 176.600 -0.205 0.000 0.905 262 E CA -0.779 55.566 56.400 -0.092 0.000 0.778 262 E CB 2.083 31.747 29.700 -0.061 0.000 1.240 262 E HN 0.645 nan 8.360 nan 0.000 0.410 263 M N 2.359 121.748 119.600 -0.351 0.000 2.211 263 M HA 0.234 4.713 4.480 -0.000 0.000 0.356 263 M C -0.315 175.637 176.300 -0.578 0.000 1.216 263 M CA 0.199 55.104 55.300 -0.657 0.000 1.134 263 M CB 0.749 32.794 32.600 -0.925 0.000 1.564 263 M HN 0.274 nan 8.290 nan 0.000 0.463 264 Q N 3.266 122.707 119.800 -0.598 0.000 2.401 264 Q HA 0.423 4.763 4.340 -0.000 0.000 0.260 264 Q C -1.444 173.962 176.000 -0.990 0.000 1.034 264 Q CA -0.346 55.089 55.803 -0.612 0.000 0.737 264 Q CB 1.146 29.716 28.738 -0.280 0.000 1.227 264 Q HN 0.497 nan 8.270 nan 0.000 0.488 265 F N 1.974 121.513 119.950 -0.684 0.000 2.471 265 F HA 0.392 4.919 4.527 -0.000 0.000 0.353 265 F C 0.075 175.355 175.800 -0.867 0.000 1.113 265 F CA 0.068 57.749 58.000 -0.530 0.000 1.262 265 F CB 0.433 39.266 39.000 -0.278 0.000 1.146 265 F HN 0.344 nan 8.300 nan 0.000 0.578 266 F N 0.096 120.124 119.950 0.129 0.000 2.599 266 F HA 0.538 5.065 4.527 -0.000 0.000 0.311 266 F C 0.053 175.882 175.800 0.048 0.000 1.076 266 F CA -0.911 57.123 58.000 0.057 0.000 0.937 266 F CB 1.909 40.916 39.000 0.012 0.000 1.282 266 F HN 0.468 nan 8.300 nan 0.000 0.460 267 S N -0.554 115.268 115.700 0.204 0.000 2.753 267 S HA 0.606 5.076 4.470 -0.000 0.000 0.302 267 S C -0.004 174.648 174.600 0.085 0.000 1.104 267 S CA -0.358 57.907 58.200 0.108 0.000 0.968 267 S CB 1.544 64.780 63.200 0.059 0.000 1.278 267 S HN 0.544 nan 8.310 nan 0.000 0.549 268 T N 0.796 115.378 114.554 0.046 0.000 3.132 268 T HA 0.335 4.685 4.350 -0.000 0.000 0.274 268 T C -0.382 174.331 174.700 0.023 0.000 1.011 268 T CA 0.320 62.437 62.100 0.029 0.000 0.899 268 T CB -0.313 68.562 68.868 0.013 0.000 1.089 268 T HN 0.868 nan 8.240 nan 0.000 0.543 269 T N 2.630 117.199 114.554 0.026 0.000 4.385 269 T HA -0.147 4.203 4.350 -0.000 0.000 0.330 269 T C -0.134 174.573 174.700 0.011 0.000 0.771 269 T CA 0.483 62.594 62.100 0.018 0.000 1.973 269 T CB -1.563 67.316 68.868 0.017 0.000 1.908 269 T HN 0.559 nan 8.240 nan 0.000 0.933 270 E N 1.462 121.667 120.200 0.008 0.000 2.129 270 E HA 0.511 4.861 4.350 -0.000 0.000 0.283 270 E C 0.593 177.193 176.600 0.001 0.000 1.080 270 E CA 0.259 56.661 56.400 0.004 0.000 0.867 270 E CB 0.844 30.544 29.700 0.001 0.000 1.056 270 E HN 0.831 nan 8.360 nan 0.000 0.404 271 A N 2.761 125.582 122.820 0.001 0.000 2.434 271 A HA -0.159 4.161 4.320 -0.000 0.000 0.686 271 A C 0.966 178.550 177.584 -0.002 0.000 0.138 271 A CA 0.585 52.622 52.037 -0.001 0.000 0.027 271 A CB -1.590 17.409 19.000 -0.003 0.000 3.972 271 A HN 0.860 nan 8.150 nan 0.000 0.548 272 T N 1.138 115.691 114.554 -0.002 0.000 2.814 272 T HA 0.635 4.985 4.350 -0.000 0.000 0.254 272 T C 1.482 176.179 174.700 -0.006 0.000 1.037 272 T CA 2.095 64.193 62.100 -0.003 0.000 1.143 272 T CB -0.219 68.648 68.868 -0.002 0.000 0.866 272 T HN 2.611 nan 8.240 nan 0.000 0.431 273 A N 1.369 124.186 122.820 -0.006 0.000 2.454 273 A HA 0.546 4.866 4.320 -0.000 0.000 0.260 273 A C 0.865 178.444 177.584 -0.009 0.000 1.106 273 A CA 0.028 52.060 52.037 -0.007 0.000 0.780 273 A CB -0.184 18.813 19.000 -0.006 0.000 1.044 273 A HN 0.676 nan 8.150 nan 0.000 0.498 274 G N 2.661 111.454 108.800 -0.012 0.000 2.696 274 G HA2 0.389 4.349 3.960 -0.000 0.000 0.329 274 G HA3 0.389 4.349 3.960 -0.000 0.000 0.329 274 G C 0.253 175.144 174.900 -0.015 0.000 0.973 274 G CA -0.541 44.550 45.100 -0.015 0.000 1.257 274 G HN 0.781 nan 8.290 nan 0.000 0.456 275 N N 2.387 121.079 118.700 -0.013 0.000 2.518 275 N HA 0.057 4.797 4.740 -0.000 0.000 0.230 275 N C 1.692 177.194 175.510 -0.013 0.000 1.022 275 N CA 0.692 53.735 53.050 -0.012 0.000 1.172 275 N CB 0.293 38.774 38.487 -0.009 0.000 1.498 275 N HN 0.396 nan 8.380 nan 0.000 0.602 276 G N 1.166 109.960 108.800 -0.011 0.000 3.228 276 G HA2 0.054 4.014 3.960 -0.000 0.000 0.245 276 G HA3 0.054 4.014 3.960 -0.000 0.000 0.245 276 G C -0.293 174.601 174.900 -0.010 0.000 1.051 276 G CA -0.164 44.929 45.100 -0.011 0.000 0.809 276 G HN 0.388 nan 8.290 nan 0.000 0.531 277 D N 0.868 121.262 120.400 -0.010 0.000 2.368 277 D HA 0.020 4.660 4.640 -0.000 0.000 0.240 277 D C -0.375 175.918 176.300 -0.011 0.000 1.169 277 D CA -0.467 53.528 54.000 -0.009 0.000 0.906 277 D CB 0.587 41.382 40.800 -0.008 0.000 1.187 277 D HN -0.015 nan 8.370 nan 0.000 0.435 278 N N 1.906 120.602 118.700 -0.007 0.000 2.521 278 N HA 0.069 4.809 4.740 -0.000 0.000 0.236 278 N C 0.650 176.154 175.510 -0.011 0.000 1.067 278 N CA -0.421 52.624 53.050 -0.008 0.000 0.939 278 N CB 1.143 39.632 38.487 0.002 0.000 1.201 278 N HN 0.421 nan 8.380 nan 0.000 0.511 279 L N 0.989 122.199 121.223 -0.022 0.000 2.814 279 L HA -0.084 4.256 4.340 -0.000 0.000 0.248 279 L C 0.629 177.487 176.870 -0.020 0.000 1.169 279 L CA 0.614 55.439 54.840 -0.024 0.000 0.872 279 L CB -1.406 40.628 42.059 -0.042 0.000 1.029 279 L HN 0.505 nan 8.230 nan 0.000 0.452 280 T N -0.164 114.385 114.554 -0.009 0.000 2.657 280 T HA -0.044 4.306 4.350 -0.000 0.000 0.245 280 T C -1.886 172.827 174.700 0.022 0.000 1.021 280 T CA -1.067 61.041 62.100 0.014 0.000 1.155 280 T CB -0.363 68.528 68.868 0.038 0.000 1.022 280 T HN 0.189 nan 8.240 nan 0.000 0.477 281 P HA 0.259 nan 4.420 nan 0.000 0.272 281 P C 0.230 177.566 177.300 0.060 0.000 1.240 281 P CA -0.511 62.653 63.100 0.107 0.000 0.791 281 P CB 0.954 32.799 31.700 0.241 0.000 0.978 282 K N -0.597 119.845 120.400 0.070 0.000 2.425 282 K HA 0.294 4.614 4.320 -0.000 0.000 0.201 282 K C -0.527 176.105 176.600 0.055 0.000 1.128 282 K CA 0.153 56.439 56.287 -0.002 0.000 1.000 282 K CB 0.825 33.321 32.500 -0.007 0.000 0.961 282 K HN 0.197 nan 8.250 nan 0.000 0.555 283 V N 1.484 121.484 119.914 0.143 0.000 2.789 283 V HA 0.185 4.305 4.120 -0.000 0.000 0.300 283 V C -1.174 175.055 176.094 0.224 0.000 1.184 283 V CA -0.936 61.462 62.300 0.164 0.000 0.930 283 V CB 2.189 34.082 31.823 0.116 0.000 1.041 283 V HN -0.265 nan 8.190 nan 0.000 0.430 284 V N 6.175 126.191 119.914 0.169 0.000 2.347 284 V HA 0.500 4.620 4.120 -0.000 0.000 0.280 284 V C -0.134 176.012 176.094 0.086 0.000 1.021 284 V CA -0.417 61.898 62.300 0.025 0.000 0.847 284 V CB 1.464 33.264 31.823 -0.039 0.000 0.990 284 V HN 0.624 nan 8.190 nan 0.000 0.444 285 L N 5.036 126.299 121.223 0.066 0.000 2.307 285 L HA 0.486 4.826 4.340 -0.000 0.000 0.282 285 L C -0.889 175.957 176.870 -0.039 0.000 1.051 285 L CA -0.626 54.293 54.840 0.133 0.000 0.804 285 L CB 1.301 43.502 42.059 0.237 0.000 1.197 285 L HN 0.563 nan 8.230 nan 0.000 0.431 286 Y N 1.364 121.647 120.300 -0.028 0.000 2.958 286 Y HA 0.132 4.682 4.550 -0.000 0.000 0.336 286 Y C 0.961 176.849 175.900 -0.020 0.000 1.160 286 Y CA -0.737 57.333 58.100 -0.051 0.000 1.292 286 Y CB 0.509 38.931 38.460 -0.065 0.000 1.306 286 Y HN 0.554 nan 8.280 nan 0.000 0.547 287 S N 1.490 117.227 115.700 0.061 0.000 2.573 287 S HA 0.391 4.861 4.470 -0.000 0.000 0.277 287 S C -0.095 174.538 174.600 0.055 0.000 1.346 287 S CA -0.459 57.778 58.200 0.061 0.000 1.034 287 S CB 1.124 64.351 63.200 0.046 0.000 0.879 287 S HN 0.707 nan 8.310 nan 0.000 0.528 288 E N 0.274 120.505 120.200 0.052 0.000 2.422 288 E HA 0.326 4.676 4.350 -0.000 0.000 0.280 288 E C -2.158 174.461 176.600 0.033 0.000 1.091 288 E CA -0.990 55.435 56.400 0.041 0.000 0.849 288 E CB 0.698 30.426 29.700 0.046 0.000 1.353 288 E HN 0.509 nan 8.360 nan 0.000 0.449 289 D N 1.133 121.546 120.400 0.023 0.000 2.217 289 D HA 0.455 5.095 4.640 -0.000 0.000 0.243 289 D C -0.408 175.893 176.300 0.001 0.000 1.054 289 D CA -0.273 53.737 54.000 0.016 0.000 0.838 289 D CB 2.105 42.913 40.800 0.015 0.000 1.162 289 D HN 0.434 nan 8.370 nan 0.000 0.472 290 V N -0.723 119.185 119.914 -0.010 0.000 2.914 290 V HA 0.404 4.524 4.120 -0.000 0.000 0.314 290 V C 0.101 176.167 176.094 -0.048 0.000 1.084 290 V CA -0.963 61.314 62.300 -0.038 0.000 0.963 290 V CB 2.396 34.185 31.823 -0.057 0.000 1.025 290 V HN 0.324 nan 8.190 nan 0.000 0.432 291 D N 2.861 123.218 120.400 -0.071 0.000 2.671 291 D HA 0.166 4.806 4.640 -0.000 0.000 0.228 291 D C 0.118 176.363 176.300 -0.093 0.000 1.102 291 D CA 0.127 54.089 54.000 -0.064 0.000 1.044 291 D CB 0.111 40.874 40.800 -0.062 0.000 1.113 291 D HN 0.700 nan 8.370 nan 0.000 0.480 292 I N 2.413 122.942 120.570 -0.068 0.000 2.618 292 I HA 0.003 4.173 4.170 -0.000 0.000 0.284 292 I C 0.220 176.322 176.117 -0.026 0.000 1.146 292 I CA 0.223 61.482 61.300 -0.067 0.000 1.425 292 I CB 0.283 38.264 38.000 -0.033 0.000 1.383 292 I HN 0.270 nan 8.210 nan 0.000 0.562 293 E N 3.867 124.060 120.200 -0.013 0.000 2.408 293 E HA 0.462 4.812 4.350 -0.000 0.000 0.275 293 E C -1.305 175.329 176.600 0.057 0.000 0.935 293 E CA -0.922 55.504 56.400 0.043 0.000 0.775 293 E CB 1.736 31.486 29.700 0.084 0.000 1.277 293 E HN 0.456 nan 8.360 nan 0.000 0.455 294 T N -0.993 113.600 114.554 0.065 0.000 3.327 294 T HA 0.315 4.665 4.350 -0.000 0.000 0.373 294 T C -1.793 172.962 174.700 0.091 0.000 1.589 294 T CA -1.423 60.725 62.100 0.079 0.000 1.497 294 T CB 0.819 69.735 68.868 0.080 0.000 1.032 294 T HN 0.331 nan 8.240 nan 0.000 0.640 295 P HA -0.016 nan 4.420 nan 0.000 0.223 295 P C 0.318 177.666 177.300 0.080 0.000 1.151 295 P CA 1.133 64.283 63.100 0.084 0.000 0.787 295 P CB 0.167 31.910 31.700 0.071 0.000 0.788 296 D N -1.331 119.140 120.400 0.118 0.000 2.563 296 D HA 0.069 4.709 4.640 -0.000 0.000 0.237 296 D C 0.208 176.564 176.300 0.093 0.000 1.282 296 D CA -0.244 53.795 54.000 0.065 0.000 0.816 296 D CB -0.319 40.516 40.800 0.057 0.000 1.066 296 D HN 0.142 nan 8.370 nan 0.000 0.501 297 T N -2.670 111.963 114.554 0.133 0.000 2.865 297 T HA 0.625 4.974 4.350 -0.000 0.000 0.294 297 T C -0.587 174.247 174.700 0.224 0.000 1.119 297 T CA -0.862 61.345 62.100 0.178 0.000 1.007 297 T CB 2.494 71.445 68.868 0.138 0.000 1.225 297 T HN 0.307 nan 8.240 nan 0.000 0.515 298 H N -0.479 118.622 119.070 0.052 0.000 2.977 298 H HA 0.543 5.099 4.556 -0.000 0.000 0.350 298 H C -1.157 174.189 175.328 0.029 0.000 1.238 298 H CA -1.438 54.624 56.048 0.023 0.000 1.124 298 H CB 0.753 30.504 29.762 -0.019 0.000 1.866 298 H HN 0.522 nan 8.280 nan 0.000 0.550 299 I N 2.623 123.199 120.570 0.011 0.000 2.452 299 I HA -0.045 4.125 4.170 -0.000 0.000 0.287 299 I C 1.512 177.574 176.117 -0.092 0.000 1.079 299 I CA 0.218 61.488 61.300 -0.051 0.000 1.387 299 I CB 0.985 38.974 38.000 -0.018 0.000 1.404 299 I HN 0.761 nan 8.210 nan 0.000 0.522 300 S N 5.866 121.495 115.700 -0.119 0.000 2.524 300 S HA 0.017 4.487 4.470 -0.000 0.000 0.216 300 S C 0.112 174.756 174.600 0.073 0.000 0.987 300 S CA 0.080 58.232 58.200 -0.079 0.000 0.909 300 S CB -0.035 63.088 63.200 -0.127 0.000 0.781 300 S HN 0.597 nan 8.310 nan 0.000 0.521 301 Y N 1.281 121.536 120.300 -0.074 0.000 2.294 301 Y HA 0.557 5.107 4.550 -0.000 0.000 0.329 301 Y C -1.311 174.561 175.900 -0.047 0.000 1.135 301 Y CA -1.349 56.720 58.100 -0.053 0.000 1.213 301 Y CB 1.020 39.445 38.460 -0.058 0.000 1.141 301 Y HN 0.047 nan 8.280 nan 0.000 0.446 302 M N 9.042 128.323 119.600 -0.531 0.000 2.063 302 M HA 0.333 4.813 4.480 -0.000 0.000 0.348 302 M C -1.980 173.884 176.300 -0.727 0.000 1.180 302 M CA -2.626 52.379 55.300 -0.492 0.000 1.059 302 M CB 1.125 33.580 32.600 -0.242 0.000 1.544 302 M HN 0.456 nan 8.290 nan 0.000 0.447 303 P HA -0.017 nan 4.420 nan 0.000 0.214 303 P C -0.142 177.007 177.300 -0.251 0.000 1.162 303 P CA 1.154 63.958 63.100 -0.493 0.000 0.874 303 P CB 0.358 31.890 31.700 -0.280 0.000 0.784 304 T N -1.084 113.351 114.554 -0.199 0.000 2.907 304 T HA 0.342 4.692 4.350 -0.000 0.000 0.292 304 T C 0.822 175.456 174.700 -0.110 0.000 1.043 304 T CA -0.531 61.492 62.100 -0.127 0.000 1.003 304 T CB 1.751 70.558 68.868 -0.102 0.000 1.084 304 T HN -0.117 nan 8.240 nan 0.000 0.483 305 I N 0.789 121.312 120.570 -0.078 0.000 2.716 305 I HA 0.126 4.296 4.170 -0.000 0.000 0.259 305 I C 0.654 176.742 176.117 -0.048 0.000 1.172 305 I CA 0.518 61.782 61.300 -0.060 0.000 1.478 305 I CB 0.103 38.077 38.000 -0.044 0.000 1.104 305 I HN 0.502 nan 8.210 nan 0.000 0.439 306 K N 2.887 123.259 120.400 -0.046 0.000 2.511 306 K HA -0.041 4.279 4.320 -0.000 0.000 0.280 306 K C -0.022 176.558 176.600 -0.033 0.000 1.008 306 K CA 0.346 56.613 56.287 -0.034 0.000 1.050 306 K CB 0.261 32.742 32.500 -0.032 0.000 0.889 306 K HN 0.312 nan 8.250 nan 0.000 0.484 307 E N 0.674 120.862 120.200 -0.020 0.000 2.371 307 E HA 0.309 4.659 4.350 -0.000 0.000 0.257 307 E C 0.256 176.852 176.600 -0.006 0.000 1.134 307 E CA -0.129 56.263 56.400 -0.014 0.000 0.919 307 E CB 0.825 30.522 29.700 -0.005 0.000 1.025 307 E HN 0.711 nan 8.360 nan 0.000 0.438 308 G N 1.480 110.280 108.800 0.001 0.000 2.719 308 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.686 308 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.686 308 G C -0.816 174.091 174.900 0.012 0.000 1.201 308 G CA -1.007 44.104 45.100 0.017 0.000 0.768 308 G HN 0.450 nan 8.290 nan 0.000 0.629 309 N N 0.517 119.243 118.700 0.043 0.000 2.497 309 N HA 0.576 5.316 4.740 -0.000 0.000 0.268 309 N C 0.576 176.110 175.510 0.039 0.000 1.171 309 N CA 0.708 53.782 53.050 0.040 0.000 0.948 309 N CB 1.450 40.007 38.487 0.117 0.000 1.069 309 N HN 1.276 nan 8.380 nan 0.000 0.460 310 S N 0.466 116.076 115.700 -0.150 0.000 2.638 310 S HA 0.409 4.879 4.470 -0.000 0.000 0.274 310 S C 0.818 174.916 174.600 -0.836 0.000 1.157 310 S CA -0.971 57.044 58.200 -0.309 0.000 0.826 310 S CB 2.390 65.497 63.200 -0.156 0.000 1.139 310 S HN 0.590 nan 8.310 nan 0.000 0.474 311 R N 0.463 120.329 120.500 -1.056 0.000 2.105 311 R HA -0.103 4.237 4.340 -0.000 0.000 0.239 311 R C 1.421 177.360 176.300 -0.601 0.000 1.135 311 R CA 1.779 57.220 56.100 -1.099 0.000 0.967 311 R CB -0.360 29.622 30.300 -0.531 0.000 0.861 311 R HN 0.731 nan 8.270 nan 0.000 0.442 312 E N 0.927 120.898 120.200 -0.381 0.000 2.070 312 E HA -0.231 4.119 4.350 -0.000 0.000 0.197 312 E C 2.009 178.462 176.600 -0.244 0.000 1.004 312 E CA 1.151 57.403 56.400 -0.247 0.000 0.805 312 E CB -0.333 29.263 29.700 -0.174 0.000 0.744 312 E HN 0.445 nan 8.360 nan 0.000 0.451 313 L N 0.290 121.351 121.223 -0.269 0.000 2.450 313 L HA -0.082 4.258 4.340 -0.000 0.000 0.224 313 L C 2.389 179.133 176.870 -0.210 0.000 1.149 313 L CA 0.417 55.129 54.840 -0.213 0.000 0.816 313 L CB -0.293 41.658 42.059 -0.180 0.000 0.932 313 L HN 0.144 nan 8.230 nan 0.000 0.449 314 M N -1.023 118.396 119.600 -0.302 0.000 2.557 314 M HA -0.049 4.431 4.480 -0.000 0.000 0.259 314 M C 1.704 177.899 176.300 -0.174 0.000 1.086 314 M CA 1.062 56.195 55.300 -0.279 0.000 1.096 314 M CB -0.277 32.050 32.600 -0.455 0.000 1.424 314 M HN 0.284 nan 8.290 nan 0.000 0.488 315 G N 0.345 109.071 108.800 -0.123 0.000 3.189 315 G HA2 0.048 4.008 3.960 -0.000 0.000 0.225 315 G HA3 0.048 4.008 3.960 -0.000 0.000 0.225 315 G C 0.328 175.290 174.900 0.102 0.000 1.159 315 G CA -0.397 44.694 45.100 -0.014 0.000 0.763 315 G HN 0.554 nan 8.290 nan 0.000 0.549 316 Q N 0.042 119.853 119.800 0.019 0.000 2.340 316 Q HA 0.480 4.820 4.340 -0.000 0.000 0.249 316 Q C -0.783 175.260 176.000 0.072 0.000 0.957 316 Q CA -0.177 55.650 55.803 0.040 0.000 0.882 316 Q CB 0.941 29.643 28.738 -0.061 0.000 1.235 316 Q HN 0.223 nan 8.270 nan 0.000 0.439 317 Q N 1.010 120.872 119.800 0.103 0.000 2.345 317 Q HA 0.501 4.841 4.340 -0.000 0.000 0.268 317 Q C -1.234 174.764 176.000 -0.003 0.000 1.054 317 Q CA -0.739 55.087 55.803 0.038 0.000 0.835 317 Q CB 2.489 31.241 28.738 0.024 0.000 1.339 317 Q HN 0.716 nan 8.270 nan 0.000 0.447 318 S N 1.655 117.346 115.700 -0.015 0.000 2.537 318 S HA 0.779 5.249 4.470 -0.000 0.000 0.301 318 S C -1.091 173.467 174.600 -0.069 0.000 1.092 318 S CA -0.627 57.578 58.200 0.010 0.000 1.048 318 S CB 0.853 64.173 63.200 0.199 0.000 1.053 318 S HN 0.634 nan 8.310 nan 0.000 0.501 319 M N 5.025 124.549 119.600 -0.127 0.000 2.433 319 M HA 0.536 5.016 4.480 -0.000 0.000 0.290 319 M C -2.772 173.529 176.300 0.001 0.000 1.173 319 M CA -2.139 53.075 55.300 -0.144 0.000 0.905 319 M CB 2.519 34.917 32.600 -0.337 0.000 1.692 319 M HN 0.409 nan 8.290 nan 0.000 0.462 320 P HA 0.082 nan 4.420 nan 0.000 0.271 320 P C -1.217 176.194 177.300 0.185 0.000 1.216 320 P CA -0.064 63.156 63.100 0.200 0.000 0.776 320 P CB 0.331 32.154 31.700 0.205 0.000 0.881 321 N N 2.656 121.456 118.700 0.166 0.000 2.453 321 N HA 0.078 4.818 4.740 -0.000 0.000 0.253 321 N C 0.625 176.109 175.510 -0.044 0.000 1.252 321 N CA 0.031 53.137 53.050 0.093 0.000 0.917 321 N CB 0.178 38.709 38.487 0.074 0.000 1.117 321 N HN 0.295 nan 8.380 nan 0.000 0.442 322 R N 1.820 122.240 120.500 -0.132 0.000 2.570 322 R HA 0.112 4.452 4.340 -0.000 0.000 0.277 322 R C -1.874 174.317 176.300 -0.180 0.000 1.039 322 R CA -0.902 55.074 56.100 -0.207 0.000 1.065 322 R CB -0.075 30.031 30.300 -0.323 0.000 0.964 322 R HN 0.429 nan 8.270 nan 0.000 0.428 323 P HA 0.004 nan 4.420 nan 0.000 0.271 323 P C -0.962 176.174 177.300 -0.273 0.000 1.218 323 P CA -0.109 62.766 63.100 -0.375 0.000 0.780 323 P CB 0.652 32.127 31.700 -0.375 0.000 0.901 324 N N 1.746 120.192 118.700 -0.424 0.000 2.629 324 N HA 0.212 4.952 4.740 -0.000 0.000 0.277 324 N C -1.767 173.579 175.510 -0.274 0.000 1.188 324 N CA -0.410 52.506 53.050 -0.224 0.000 0.835 324 N CB 0.163 38.578 38.487 -0.121 0.000 1.420 324 N HN 0.143 nan 8.380 nan 0.000 0.542 325 Y N 2.746 123.079 120.300 0.054 0.000 2.319 325 Y HA 0.481 5.031 4.550 -0.000 0.000 0.328 325 Y C 0.579 176.586 175.900 0.178 0.000 1.133 325 Y CA -0.106 58.090 58.100 0.160 0.000 1.265 325 Y CB 0.915 39.459 38.460 0.140 0.000 1.218 325 Y HN 0.308 nan 8.280 nan 0.000 0.508 326 I N 2.921 123.732 120.570 0.401 0.000 2.533 326 I HA 0.774 4.944 4.170 -0.000 0.000 0.290 326 I C -0.455 175.620 176.117 -0.070 0.000 1.056 326 I CA -0.691 60.657 61.300 0.081 0.000 1.057 326 I CB 1.746 39.720 38.000 -0.043 0.000 1.240 326 I HN 0.720 nan 8.210 nan 0.000 0.423 327 A N 4.711 127.463 122.820 -0.114 0.000 2.536 327 A HA 0.743 5.063 4.320 -0.000 0.000 0.293 327 A C -1.537 175.941 177.584 -0.177 0.000 1.119 327 A CA -0.552 51.380 52.037 -0.176 0.000 0.654 327 A CB 0.777 19.759 19.000 -0.031 0.000 1.291 327 A HN 0.395 nan 8.150 nan 0.000 0.439 328 F N 1.289 121.219 119.950 -0.033 0.000 2.444 328 F HA 0.474 5.002 4.527 -0.000 0.000 0.331 328 F C 1.546 177.327 175.800 -0.032 0.000 1.167 328 F CA 0.481 58.491 58.000 0.017 0.000 1.262 328 F CB 0.667 39.759 39.000 0.154 0.000 1.196 328 F HN 0.532 nan 8.300 nan 0.000 0.583 329 R N 0.324 120.956 120.500 0.219 0.000 2.649 329 R HA 0.105 4.445 4.340 -0.000 0.000 0.270 329 R C -0.700 175.578 176.300 -0.036 0.000 1.105 329 R CA -0.831 55.319 56.100 0.083 0.000 1.193 329 R CB 0.179 30.546 30.300 0.112 0.000 1.120 329 R HN 0.507 nan 8.270 nan 0.000 0.561 330 D N 0.792 121.171 120.400 -0.034 0.000 2.487 330 D HA -0.082 4.558 4.640 -0.000 0.000 0.243 330 D C -0.316 175.950 176.300 -0.057 0.000 1.154 330 D CA 0.913 54.873 54.000 -0.066 0.000 0.876 330 D CB -0.026 40.763 40.800 -0.019 0.000 1.161 330 D HN 0.599 nan 8.370 nan 0.000 0.478 331 N N 2.766 121.391 118.700 -0.125 0.000 2.714 331 N HA -0.285 4.455 4.740 -0.000 0.000 0.250 331 N C -0.230 175.301 175.510 0.035 0.000 1.117 331 N CA 0.479 53.510 53.050 -0.032 0.000 0.719 331 N CB -1.529 37.035 38.487 0.128 0.000 1.081 331 N HN 0.542 nan 8.380 nan 0.000 0.557 332 F N -1.945 118.048 119.950 0.072 0.000 3.091 332 F HA -0.271 4.256 4.527 -0.000 0.000 0.288 332 F C 0.525 176.373 175.800 0.079 0.000 0.907 332 F CA 0.079 58.111 58.000 0.054 0.000 1.028 332 F CB -1.461 37.541 39.000 0.004 0.000 1.022 332 F HN 0.196 nan 8.300 nan 0.000 0.665 333 I N 0.824 121.511 120.570 0.195 0.000 2.775 333 I HA 0.110 4.280 4.170 -0.000 0.000 0.290 333 I C 1.559 177.787 176.117 0.186 0.000 1.203 333 I CA 1.582 62.984 61.300 0.171 0.000 1.433 333 I CB 0.342 38.413 38.000 0.118 0.000 1.354 333 I HN 0.552 nan 8.210 nan 0.000 0.579 334 G N 4.485 113.385 108.800 0.166 0.000 2.268 334 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.240 334 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.240 334 G C 0.872 175.818 174.900 0.077 0.000 1.010 334 G CA 0.313 45.477 45.100 0.108 0.000 0.618 334 G HN 0.567 nan 8.290 nan 0.000 0.516 335 L N 0.027 121.342 121.223 0.153 0.000 2.046 335 L HA 0.253 4.593 4.340 -0.000 0.000 0.208 335 L C 1.775 178.684 176.870 0.064 0.000 1.077 335 L CA 1.256 56.199 54.840 0.172 0.000 0.747 335 L CB -0.161 42.007 42.059 0.183 0.000 0.896 335 L HN 0.414 nan 8.230 nan 0.000 0.432 336 M N -1.963 117.595 119.600 -0.071 0.000 2.423 336 M HA 0.224 4.704 4.480 -0.000 0.000 0.335 336 M C -1.144 174.948 176.300 -0.347 0.000 1.177 336 M CA -0.507 54.590 55.300 -0.340 0.000 1.038 336 M CB 1.637 33.909 32.600 -0.547 0.000 1.641 336 M HN -0.198 nan 8.290 nan 0.000 0.455 337 Y N 1.640 121.767 120.300 -0.288 0.000 2.335 337 Y HA 0.292 4.842 4.550 -0.000 0.000 0.331 337 Y C -0.922 174.829 175.900 -0.249 0.000 1.094 337 Y CA 0.546 58.531 58.100 -0.193 0.000 1.253 337 Y CB 0.456 38.797 38.460 -0.198 0.000 1.203 337 Y HN 0.392 nan 8.280 nan 0.000 0.508 338 Y N 0.834 121.300 120.300 0.277 0.000 2.562 338 Y HA 0.230 4.780 4.550 -0.000 0.000 0.345 338 Y C -0.060 175.955 175.900 0.191 0.000 1.045 338 Y CA -2.181 56.069 58.100 0.250 0.000 1.028 338 Y CB 1.466 40.098 38.460 0.285 0.000 1.297 338 Y HN 0.642 nan 8.280 nan 0.000 0.463 339 N N 0.169 119.077 118.700 0.346 0.000 2.721 339 N HA -0.187 4.553 4.740 -0.000 0.000 0.249 339 N C -0.963 174.641 175.510 0.157 0.000 1.072 339 N CA 1.135 54.331 53.050 0.243 0.000 0.710 339 N CB -1.300 37.354 38.487 0.277 0.000 0.993 339 N HN 0.405 nan 8.380 nan 0.000 0.547 340 S N -0.647 115.113 115.700 0.099 0.000 2.524 340 S HA 0.232 4.702 4.470 -0.000 0.000 0.227 340 S C 1.468 176.039 174.600 -0.050 0.000 1.304 340 S CA -0.190 58.040 58.200 0.050 0.000 1.185 340 S CB 1.317 64.595 63.200 0.129 0.000 1.104 340 S HN 0.380 nan 8.310 nan 0.000 0.475 341 T N 1.135 115.661 114.554 -0.046 0.000 2.668 341 T HA -0.274 4.076 4.350 -0.000 0.000 0.265 341 T C 2.099 176.724 174.700 -0.125 0.000 1.041 341 T CA 2.032 64.082 62.100 -0.083 0.000 1.160 341 T CB -1.156 67.679 68.868 -0.055 0.000 0.857 341 T HN 0.657 nan 8.240 nan 0.000 0.455 342 G N 3.224 111.954 108.800 -0.117 0.000 2.672 342 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.218 342 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.218 342 G C 0.858 175.612 174.900 -0.243 0.000 1.238 342 G CA 0.992 46.001 45.100 -0.152 0.000 0.791 342 G HN 0.713 nan 8.290 nan 0.000 0.606 343 N N 0.659 119.138 118.700 -0.368 0.000 3.044 343 N HA 0.298 5.038 4.740 -0.000 0.000 0.254 343 N C -0.660 174.565 175.510 -0.475 0.000 1.253 343 N CA -0.170 52.578 53.050 -0.503 0.000 0.944 343 N CB 1.192 39.127 38.487 -0.920 0.000 1.217 343 N HN 0.263 nan 8.380 nan 0.000 0.498 344 M N 1.072 120.427 119.600 -0.408 0.000 2.211 344 M HA 0.261 4.741 4.480 -0.000 0.000 0.356 344 M C 0.765 176.640 176.300 -0.708 0.000 1.216 344 M CA -0.255 54.760 55.300 -0.476 0.000 1.134 344 M CB 0.784 33.186 32.600 -0.331 0.000 1.564 344 M HN 0.357 nan 8.290 nan 0.000 0.463 345 G N 2.905 111.004 108.800 -1.168 0.000 2.636 345 G HA2 0.463 4.423 3.960 -0.000 0.000 0.246 345 G HA3 0.463 4.423 3.960 -0.000 0.000 0.246 345 G C -1.203 173.258 174.900 -0.731 0.000 1.216 345 G CA -0.593 43.448 45.100 -1.764 0.000 0.854 345 G HN 0.634 nan 8.290 nan 0.000 0.572 346 V N 0.861 120.594 119.914 -0.302 0.000 2.623 346 V HA 0.477 4.597 4.120 -0.000 0.000 0.304 346 V C -0.727 175.556 176.094 0.314 0.000 1.054 346 V CA -0.534 61.775 62.300 0.016 0.000 0.882 346 V CB 1.712 33.531 31.823 -0.007 0.000 1.002 346 V HN 0.686 nan 8.190 nan 0.000 0.424 347 L N 5.003 126.382 121.223 0.260 0.000 2.448 347 L HA 0.865 5.205 4.340 -0.000 0.000 0.257 347 L C -0.233 176.745 176.870 0.181 0.000 1.504 347 L CA 0.062 55.060 54.840 0.264 0.000 0.852 347 L CB 0.805 42.993 42.059 0.216 0.000 1.051 347 L HN 0.747 nan 8.230 nan 0.000 0.518 348 A N 1.335 124.273 122.820 0.198 0.000 2.350 348 A HA 0.817 5.137 4.320 -0.000 0.000 0.324 348 A C 0.379 178.112 177.584 0.247 0.000 1.118 348 A CA -0.187 51.965 52.037 0.192 0.000 0.783 348 A CB 1.127 20.204 19.000 0.128 0.000 1.236 348 A HN 0.737 nan 8.150 nan 0.000 0.457 349 G N 0.990 109.964 108.800 0.289 0.000 2.307 349 G HA2 0.269 4.229 3.960 -0.000 0.000 0.271 349 G HA3 0.269 4.229 3.960 -0.000 0.000 0.271 349 G C 0.634 175.520 174.900 -0.024 0.000 1.191 349 G CA 0.036 45.209 45.100 0.122 0.000 1.024 349 G HN 0.888 nan 8.290 nan 0.000 0.441 350 Q N 1.703 121.455 119.800 -0.080 0.000 2.250 350 Q HA -0.412 3.928 4.340 -0.000 0.000 0.218 350 Q C 2.746 178.721 176.000 -0.042 0.000 1.021 350 Q CA 2.415 58.188 55.803 -0.050 0.000 0.933 350 Q CB -0.148 28.540 28.738 -0.082 0.000 0.993 350 Q HN 0.752 nan 8.270 nan 0.000 0.415 351 A N -0.363 122.414 122.820 -0.071 0.000 1.874 351 A HA -0.118 4.202 4.320 -0.000 0.000 0.214 351 A C 2.087 179.666 177.584 -0.008 0.000 1.189 351 A CA 1.405 53.417 52.037 -0.042 0.000 0.615 351 A CB -0.669 18.298 19.000 -0.056 0.000 0.830 351 A HN 0.378 nan 8.150 nan 0.000 0.443 352 S N -2.085 113.621 115.700 0.010 0.000 2.374 352 S HA -0.331 4.139 4.470 -0.000 0.000 0.227 352 S C 1.680 176.306 174.600 0.044 0.000 1.037 352 S CA 2.184 60.411 58.200 0.045 0.000 1.024 352 S CB -0.283 62.968 63.200 0.085 0.000 0.861 352 S HN 0.564 nan 8.310 nan 0.000 0.456 353 Q N -1.173 118.653 119.800 0.042 0.000 2.374 353 Q HA -0.218 4.122 4.340 -0.000 0.000 0.154 353 Q C -0.066 175.963 176.000 0.048 0.000 1.717 353 Q CA 1.327 57.152 55.803 0.037 0.000 1.142 353 Q CB -1.642 27.110 28.738 0.022 0.000 1.099 353 Q HN 0.548 nan 8.270 nan 0.000 0.912 354 L N 2.933 124.193 121.223 0.060 0.000 2.416 354 L HA 0.210 4.550 4.340 -0.000 0.000 0.272 354 L C 0.499 177.419 176.870 0.084 0.000 1.161 354 L CA 0.856 55.737 54.840 0.067 0.000 0.845 354 L CB 0.374 42.480 42.059 0.078 0.000 1.119 354 L HN 0.303 nan 8.230 nan 0.000 0.464 355 N N 3.021 121.763 118.700 0.069 0.000 2.405 355 N HA 0.124 4.864 4.740 -0.000 0.000 0.260 355 N C 0.874 176.455 175.510 0.118 0.000 1.152 355 N CA 0.155 53.250 53.050 0.075 0.000 0.948 355 N CB 1.044 39.544 38.487 0.023 0.000 1.111 355 N HN 0.779 nan 8.380 nan 0.000 0.485 356 A N 3.723 126.634 122.820 0.152 0.000 2.119 356 A HA 0.026 4.346 4.320 -0.000 0.000 0.217 356 A C 0.650 178.417 177.584 0.304 0.000 1.153 356 A CA 0.497 52.660 52.037 0.209 0.000 0.692 356 A CB 0.203 19.299 19.000 0.160 0.000 0.799 356 A HN 0.461 nan 8.150 nan 0.000 0.458 357 V N 0.979 121.014 119.914 0.201 0.000 2.406 357 V HA 0.365 4.485 4.120 -0.000 0.000 0.272 357 V C -0.583 175.499 176.094 -0.021 0.000 1.043 357 V CA -0.196 62.195 62.300 0.152 0.000 0.915 357 V CB 1.257 33.070 31.823 -0.017 0.000 0.988 357 V HN 0.085 nan 8.190 nan 0.000 0.466 358 V N 4.452 124.280 119.914 -0.144 0.000 2.419 358 V HA 0.442 4.562 4.120 -0.000 0.000 0.287 358 V C -0.557 175.366 176.094 -0.285 0.000 1.017 358 V CA -0.547 61.526 62.300 -0.379 0.000 0.844 358 V CB 1.646 33.019 31.823 -0.751 0.000 1.011 358 V HN 0.824 nan 8.190 nan 0.000 0.429 359 D N 3.312 123.620 120.400 -0.155 0.000 2.326 359 D HA 0.770 5.410 4.640 -0.000 0.000 0.248 359 D C -0.862 175.461 176.300 0.038 0.000 1.001 359 D CA -0.270 53.742 54.000 0.019 0.000 0.961 359 D CB 2.246 43.005 40.800 -0.069 0.000 1.183 359 D HN 0.350 nan 8.370 nan 0.000 0.502 360 L N 1.007 122.310 121.223 0.134 0.000 2.388 360 L HA 0.328 4.668 4.340 -0.000 0.000 0.264 360 L C 0.967 177.915 176.870 0.130 0.000 0.998 360 L CA -0.676 54.228 54.840 0.107 0.000 0.817 360 L CB 2.209 44.344 42.059 0.127 0.000 1.338 360 L HN 0.380 nan 8.230 nan 0.000 0.414 361 Q N -1.105 118.751 119.800 0.093 0.000 2.415 361 Q HA -0.043 4.297 4.340 -0.000 0.000 0.206 361 Q C 0.242 176.312 176.000 0.116 0.000 0.946 361 Q CA 0.538 56.401 55.803 0.101 0.000 0.951 361 Q CB 0.197 28.969 28.738 0.057 0.000 1.026 361 Q HN 0.587 nan 8.270 nan 0.000 0.510 362 D N 0.746 121.220 120.400 0.124 0.000 2.354 362 D HA 0.039 4.679 4.640 -0.000 0.000 0.209 362 D C -0.059 176.339 176.300 0.164 0.000 1.015 362 D CA 0.058 54.135 54.000 0.129 0.000 0.867 362 D CB 0.403 41.269 40.800 0.110 0.000 0.933 362 D HN 0.230 nan 8.370 nan 0.000 0.520 363 R N 0.312 120.924 120.500 0.188 0.000 2.573 363 R HA 0.302 4.642 4.340 -0.000 0.000 0.272 363 R C -0.712 175.714 176.300 0.210 0.000 1.009 363 R CA -0.518 55.701 56.100 0.198 0.000 1.059 363 R CB 0.681 31.136 30.300 0.258 0.000 1.112 363 R HN -0.202 nan 8.270 nan 0.000 0.517 364 N N 1.256 120.049 118.700 0.156 0.000 2.746 364 N HA 0.126 4.866 4.740 -0.000 0.000 0.250 364 N C -0.376 175.174 175.510 0.066 0.000 1.146 364 N CA -0.190 52.921 53.050 0.102 0.000 0.828 364 N CB 1.425 39.899 38.487 -0.023 0.000 1.158 364 N HN 0.573 nan 8.380 nan 0.000 0.519 365 T N 0.908 115.519 114.554 0.095 0.000 2.746 365 T HA -0.080 4.270 4.350 -0.000 0.000 0.267 365 T C 1.353 176.005 174.700 -0.080 0.000 1.039 365 T CA 1.118 63.212 62.100 -0.011 0.000 1.142 365 T CB 0.206 68.984 68.868 -0.151 0.000 0.866 365 T HN 0.443 nan 8.240 nan 0.000 0.444 366 E N 0.866 121.036 120.200 -0.051 0.000 2.051 366 E HA -0.089 4.261 4.350 -0.000 0.000 0.192 366 E C 2.257 178.865 176.600 0.013 0.000 0.991 366 E CA 0.831 57.227 56.400 -0.007 0.000 0.799 366 E CB -0.482 29.255 29.700 0.062 0.000 0.748 366 E HN 0.301 nan 8.360 nan 0.000 0.449 367 L N 1.075 122.276 121.223 -0.037 0.000 2.093 367 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 367 L C 2.482 179.338 176.870 -0.023 0.000 1.085 367 L CA 1.662 56.463 54.840 -0.066 0.000 0.755 367 L CB -0.683 41.318 42.059 -0.097 0.000 0.904 367 L HN -0.020 nan 8.230 nan 0.000 0.435 368 S N -1.677 114.034 115.700 0.018 0.000 2.383 368 S HA -0.304 4.166 4.470 -0.000 0.000 0.229 368 S C 2.110 176.743 174.600 0.055 0.000 1.030 368 S CA 1.600 59.840 58.200 0.066 0.000 1.002 368 S CB -0.597 62.640 63.200 0.060 0.000 0.829 368 S HN 0.650 nan 8.310 nan 0.000 0.467 369 Y N 1.395 121.644 120.300 -0.085 0.000 2.314 369 Y HA -0.013 4.537 4.550 -0.000 0.000 0.293 369 Y C 2.570 178.401 175.900 -0.114 0.000 1.129 369 Y CA 1.506 59.538 58.100 -0.113 0.000 1.201 369 Y CB -0.142 38.245 38.460 -0.121 0.000 0.999 369 Y HN 0.267 nan 8.280 nan 0.000 0.541 370 Q N 0.248 120.037 119.800 -0.019 0.000 2.046 370 Q HA -0.163 4.177 4.340 -0.000 0.000 0.200 370 Q C 2.340 178.260 176.000 -0.133 0.000 0.975 370 Q CA 1.674 57.434 55.803 -0.072 0.000 0.836 370 Q CB -0.507 28.161 28.738 -0.117 0.000 0.896 370 Q HN 0.541 nan 8.270 nan 0.000 0.428 371 L N 0.262 121.375 121.223 -0.184 0.000 2.156 371 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 371 L C 2.412 179.030 176.870 -0.421 0.000 1.095 371 L CA 0.361 55.111 54.840 -0.150 0.000 0.770 371 L CB -0.489 41.588 42.059 0.030 0.000 0.914 371 L HN 0.184 nan 8.230 nan 0.000 0.439 372 L N 0.177 120.993 121.223 -0.678 0.000 2.017 372 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 372 L C 2.353 178.865 176.870 -0.596 0.000 1.073 372 L CA 1.732 55.962 54.840 -1.018 0.000 0.745 372 L CB -0.392 41.252 42.059 -0.691 0.000 0.894 372 L HN 0.091 nan 8.230 nan 0.000 0.432 373 L N -0.459 120.480 121.223 -0.474 0.000 2.083 373 L HA -0.228 4.112 4.340 -0.000 0.000 0.209 373 L C 2.279 179.055 176.870 -0.157 0.000 1.083 373 L CA 1.622 56.275 54.840 -0.310 0.000 0.752 373 L CB -0.755 41.136 42.059 -0.280 0.000 0.899 373 L HN 0.397 nan 8.230 nan 0.000 0.433 374 D N -0.372 119.979 120.400 -0.081 0.000 2.178 374 D HA -0.177 4.463 4.640 -0.000 0.000 0.201 374 D C 2.236 178.522 176.300 -0.023 0.000 0.980 374 D CA 1.355 55.359 54.000 0.007 0.000 0.842 374 D CB 0.169 41.093 40.800 0.208 0.000 0.948 374 D HN 0.299 nan 8.370 nan 0.000 0.472 375 S N -0.283 115.360 115.700 -0.095 0.000 2.446 375 S HA -0.073 4.397 4.470 -0.000 0.000 0.225 375 S C 1.941 176.519 174.600 -0.037 0.000 1.016 375 S CA 0.550 58.725 58.200 -0.042 0.000 0.943 375 S CB -0.626 62.542 63.200 -0.053 0.000 0.786 375 S HN 0.546 nan 8.310 nan 0.000 0.508 376 I N -2.024 118.493 120.570 -0.088 0.000 3.941 376 I HA 0.653 4.823 4.170 -0.000 0.000 0.335 376 I C 0.614 176.709 176.117 -0.038 0.000 1.402 376 I CA -0.452 60.816 61.300 -0.054 0.000 1.112 376 I CB 0.171 38.125 38.000 -0.077 0.000 1.043 376 I HN 0.326 nan 8.210 nan 0.000 0.395 377 G N 0.524 109.304 108.800 -0.034 0.000 2.488 377 G HA2 0.124 4.084 3.960 -0.000 0.000 0.301 377 G HA3 0.124 4.084 3.960 -0.000 0.000 0.301 377 G C -2.059 172.829 174.900 -0.021 0.000 1.339 377 G CA -0.463 44.624 45.100 -0.023 0.000 0.803 377 G HN 0.023 nan 8.290 nan 0.000 0.482 378 D N -0.174 120.214 120.400 -0.021 0.000 2.468 378 D HA 0.274 4.914 4.640 -0.000 0.000 0.218 378 D C 1.360 177.643 176.300 -0.028 0.000 1.155 378 D CA -0.666 53.316 54.000 -0.030 0.000 0.924 378 D CB 1.263 42.040 40.800 -0.038 0.000 1.029 378 D HN 0.272 nan 8.370 nan 0.000 0.515 379 R N 1.296 121.774 120.500 -0.036 0.000 2.377 379 R HA -0.072 4.268 4.340 -0.000 0.000 0.207 379 R C 1.803 178.099 176.300 -0.007 0.000 1.075 379 R CA 1.158 57.247 56.100 -0.019 0.000 1.035 379 R CB -0.604 29.657 30.300 -0.064 0.000 0.857 379 R HN 0.447 nan 8.270 nan 0.000 0.475 380 T N -2.848 111.679 114.554 -0.046 0.000 3.081 380 T HA 0.176 4.526 4.350 -0.000 0.000 0.255 380 T C 0.713 175.318 174.700 -0.158 0.000 1.113 380 T CA -0.129 61.925 62.100 -0.077 0.000 1.082 380 T CB 0.100 68.899 68.868 -0.115 0.000 0.939 380 T HN -0.063 nan 8.240 nan 0.000 0.506 381 R N 1.136 121.581 120.500 -0.092 0.000 2.410 381 R HA 0.395 4.735 4.340 -0.000 0.000 0.288 381 R C -0.957 175.397 176.300 0.089 0.000 1.051 381 R CA -0.503 55.520 56.100 -0.128 0.000 1.021 381 R CB 0.525 30.781 30.300 -0.073 0.000 1.032 381 R HN 0.278 nan 8.270 nan 0.000 0.481 382 Y N 1.776 122.000 120.300 -0.126 0.000 2.352 382 Y HA 0.371 4.921 4.550 -0.000 0.000 0.326 382 Y C -0.036 175.909 175.900 0.074 0.000 1.166 382 Y CA -1.385 56.630 58.100 -0.142 0.000 1.182 382 Y CB 0.928 39.055 38.460 -0.555 0.000 1.216 382 Y HN 0.461 nan 8.280 nan 0.000 0.474 383 F N 2.258 122.282 119.950 0.124 0.000 2.828 383 F HA 0.191 4.718 4.527 -0.000 0.000 0.355 383 F C 0.875 176.720 175.800 0.075 0.000 1.200 383 F CA -0.599 57.448 58.000 0.079 0.000 1.062 383 F CB 1.441 40.486 39.000 0.076 0.000 1.351 383 F HN 0.562 nan 8.300 nan 0.000 0.504 384 S N 4.919 120.758 115.700 0.233 0.000 2.400 384 S HA -0.261 4.209 4.470 -0.000 0.000 0.232 384 S C 1.955 176.351 174.600 -0.340 0.000 1.025 384 S CA 1.348 59.557 58.200 0.014 0.000 0.993 384 S CB -0.265 62.991 63.200 0.094 0.000 0.808 384 S HN 0.907 nan 8.310 nan 0.000 0.478 385 M N -0.016 119.062 119.600 -0.870 0.000 2.082 385 M HA -0.071 4.409 4.480 -0.000 0.000 0.258 385 M C 1.149 176.970 176.300 -0.798 0.000 1.069 385 M CA 1.854 56.496 55.300 -1.096 0.000 1.102 385 M CB -0.216 31.338 32.600 -1.744 0.000 1.336 385 M HN 0.553 nan 8.290 nan 0.000 0.404 386 W N -0.369 120.551 121.300 -0.634 0.000 3.316 386 W HA 0.224 4.884 4.660 -0.000 0.000 0.327 386 W C 0.441 176.726 176.519 -0.391 0.000 1.232 386 W CA -0.668 56.529 57.345 -0.247 0.000 1.805 386 W CB -0.111 29.241 29.460 -0.179 0.000 1.090 386 W HN 0.360 nan 8.180 nan 0.000 0.654 387 N N 1.416 119.947 118.700 -0.281 0.000 2.754 387 N HA -0.259 4.481 4.740 -0.000 0.000 0.248 387 N C -0.034 175.339 175.510 -0.228 0.000 1.093 387 N CA 0.692 53.475 53.050 -0.445 0.000 0.699 387 N CB -1.112 36.595 38.487 -1.300 0.000 1.016 387 N HN 0.335 nan 8.380 nan 0.000 0.552 388 Q N 0.268 120.042 119.800 -0.043 0.000 2.534 388 Q HA 0.495 4.835 4.340 -0.000 0.000 0.223 388 Q C -0.862 175.142 176.000 0.006 0.000 1.239 388 Q CA 0.263 56.107 55.803 0.069 0.000 0.936 388 Q CB 0.080 28.976 28.738 0.263 0.000 1.457 388 Q HN 0.408 nan 8.270 nan 0.000 0.547 389 A N 3.957 126.696 122.820 -0.135 0.000 2.679 389 A HA 0.269 4.589 4.320 -0.000 0.000 0.288 389 A C -0.880 176.581 177.584 -0.204 0.000 1.160 389 A CA -0.571 51.198 52.037 -0.446 0.000 0.763 389 A CB 1.114 19.596 19.000 -0.863 0.000 1.270 389 A HN 0.510 nan 8.150 nan 0.000 0.417 390 V N 2.640 122.542 119.914 -0.021 0.000 2.788 390 V HA 0.049 4.169 4.120 -0.000 0.000 0.307 390 V C 0.087 176.201 176.094 0.032 0.000 1.069 390 V CA 0.299 62.614 62.300 0.025 0.000 1.173 390 V CB 0.496 32.350 31.823 0.053 0.000 0.925 390 V HN 0.813 nan 8.190 nan 0.000 0.492 391 D N 4.374 124.794 120.400 0.033 0.000 2.389 391 D HA 0.391 5.031 4.640 -0.000 0.000 0.247 391 D C 0.033 176.478 176.300 0.242 0.000 1.128 391 D CA 0.512 54.576 54.000 0.107 0.000 0.884 391 D CB 1.354 42.164 40.800 0.018 0.000 1.194 391 D HN 0.831 nan 8.370 nan 0.000 0.441 392 S N 1.027 116.919 115.700 0.321 0.000 2.688 392 S HA 0.725 5.195 4.470 -0.000 0.000 0.275 392 S C -1.122 173.517 174.600 0.065 0.000 1.175 392 S CA -0.990 57.323 58.200 0.189 0.000 0.818 392 S CB 1.594 64.793 63.200 -0.002 0.000 1.157 392 S HN 0.547 nan 8.310 nan 0.000 0.482 393 Y N -1.096 119.124 120.300 -0.133 0.000 2.644 393 Y HA 0.744 5.294 4.550 -0.000 0.000 0.338 393 Y C -1.088 174.678 175.900 -0.224 0.000 1.119 393 Y CA -1.217 56.710 58.100 -0.290 0.000 1.060 393 Y CB 0.649 38.780 38.460 -0.548 0.000 1.294 393 Y HN 0.617 nan 8.280 nan 0.000 0.472 394 D N 2.058 122.472 120.400 0.025 0.000 2.343 394 D HA 0.240 4.880 4.640 -0.000 0.000 0.255 394 D C -1.908 174.466 176.300 0.123 0.000 1.187 394 D CA -2.290 51.721 54.000 0.019 0.000 0.875 394 D CB 1.733 42.510 40.800 -0.040 0.000 1.136 394 D HN 0.356 nan 8.370 nan 0.000 0.469 395 P HA -0.098 nan 4.420 nan 0.000 0.216 395 P C 0.509 177.855 177.300 0.077 0.000 1.150 395 P CA 0.879 64.053 63.100 0.123 0.000 0.837 395 P CB 0.326 32.057 31.700 0.051 0.000 0.786 396 D N -1.447 119.008 120.400 0.091 0.000 2.348 396 D HA -0.038 4.602 4.640 -0.000 0.000 0.216 396 D C 1.717 178.129 176.300 0.186 0.000 0.970 396 D CA 0.698 54.784 54.000 0.144 0.000 0.889 396 D CB 0.020 40.918 40.800 0.162 0.000 0.912 396 D HN 0.095 nan 8.370 nan 0.000 0.524 397 V N 0.435 120.379 119.914 0.051 0.000 2.575 397 V HA -0.056 4.064 4.120 -0.000 0.000 0.242 397 V C 2.379 178.339 176.094 -0.224 0.000 1.045 397 V CA 0.599 62.827 62.300 -0.120 0.000 1.065 397 V CB -0.042 31.551 31.823 -0.382 0.000 0.717 397 V HN -0.028 nan 8.190 nan 0.000 0.467 398 R N 0.735 121.063 120.500 -0.287 0.000 2.075 398 R HA 0.068 4.408 4.340 -0.000 0.000 0.232 398 R C 0.608 176.767 176.300 -0.235 0.000 1.126 398 R CA 1.528 57.377 56.100 -0.418 0.000 0.963 398 R CB -0.156 29.751 30.300 -0.655 0.000 0.858 398 R HN 0.455 nan 8.270 nan 0.000 0.435 399 I N 1.595 122.097 120.570 -0.114 0.000 2.411 399 I HA 0.270 4.440 4.170 -0.000 0.000 0.284 399 I C -0.626 175.511 176.117 0.032 0.000 1.012 399 I CA -0.761 60.501 61.300 -0.063 0.000 1.119 399 I CB 1.951 39.918 38.000 -0.055 0.000 1.261 399 I HN -0.021 nan 8.210 nan 0.000 0.448 400 I N 5.884 126.497 120.570 0.071 0.000 2.517 400 I HA 0.080 4.250 4.170 -0.000 0.000 0.285 400 I C 0.651 176.878 176.117 0.184 0.000 1.106 400 I CA 0.306 61.708 61.300 0.170 0.000 1.402 400 I CB 0.397 38.508 38.000 0.186 0.000 1.399 400 I HN 0.616 nan 8.210 nan 0.000 0.535 401 E N 6.684 126.993 120.200 0.183 0.000 2.173 401 E HA 0.109 4.459 4.350 -0.000 0.000 0.249 401 E C -0.674 175.949 176.600 0.039 0.000 0.923 401 E CA -0.505 55.965 56.400 0.116 0.000 0.754 401 E CB 0.589 30.343 29.700 0.090 0.000 1.177 401 E HN 0.430 nan 8.360 nan 0.000 0.430 402 N N 2.860 121.626 118.700 0.110 0.000 2.719 402 N HA -0.008 4.732 4.740 -0.000 0.000 0.243 402 N C -0.162 175.305 175.510 -0.072 0.000 1.104 402 N CA -0.116 52.975 53.050 0.070 0.000 0.981 402 N CB 0.087 38.741 38.487 0.278 0.000 1.290 402 N HN 0.500 nan 8.380 nan 0.000 0.513 403 H N 1.232 120.214 119.070 -0.146 0.000 2.538 403 H HA 0.440 4.996 4.556 -0.000 0.000 0.286 403 H C 1.259 176.473 175.328 -0.190 0.000 1.035 403 H CA -0.166 55.797 56.048 -0.141 0.000 1.169 403 H CB -0.210 29.465 29.762 -0.146 0.000 1.417 403 H HN 0.510 nan 8.280 nan 0.000 0.567 404 G N 0.730 109.385 108.800 -0.242 0.000 2.542 404 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.235 404 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.235 404 G C -0.159 174.538 174.900 -0.339 0.000 1.286 404 G CA -0.014 44.969 45.100 -0.195 0.000 0.904 404 G HN 1.091 nan 8.290 nan 0.000 0.577 405 T N -2.519 111.944 114.554 -0.151 0.000 2.909 405 T HA 0.692 5.042 4.350 -0.000 0.000 0.299 405 T C -0.580 174.083 174.700 -0.061 0.000 1.073 405 T CA -0.216 61.806 62.100 -0.129 0.000 0.999 405 T CB 2.321 71.155 68.868 -0.057 0.000 1.098 405 T HN 0.692 nan 8.240 nan 0.000 0.477 406 E N 2.270 122.435 120.200 -0.058 0.000 1.932 406 E HA 0.186 4.536 4.350 -0.000 0.000 0.259 406 E C -0.329 176.246 176.600 -0.042 0.000 1.099 406 E CA -0.480 55.892 56.400 -0.047 0.000 0.970 406 E CB 0.122 29.791 29.700 -0.052 0.000 1.143 406 E HN 0.699 nan 8.360 nan 0.000 0.441 407 D N 1.381 121.758 120.400 -0.038 0.000 2.643 407 D HA 0.018 4.658 4.640 -0.000 0.000 0.244 407 D C 0.594 176.865 176.300 -0.048 0.000 1.257 407 D CA -0.252 53.721 54.000 -0.044 0.000 0.831 407 D CB 0.372 41.148 40.800 -0.040 0.000 1.043 407 D HN 0.089 nan 8.370 nan 0.000 0.488 408 E N 0.322 120.498 120.200 -0.040 0.000 2.058 408 E HA -0.003 4.347 4.350 -0.000 0.000 0.194 408 E C 0.577 177.153 176.600 -0.040 0.000 0.997 408 E CA 0.846 57.225 56.400 -0.035 0.000 0.801 408 E CB 0.071 29.755 29.700 -0.027 0.000 0.746 408 E HN 0.423 nan 8.360 nan 0.000 0.450 409 L N 2.485 123.680 121.223 -0.046 0.000 2.326 409 L HA 0.285 4.625 4.340 -0.000 0.000 0.278 409 L C -1.968 174.836 176.870 -0.110 0.000 1.092 409 L CA -2.077 52.732 54.840 -0.051 0.000 0.810 409 L CB 0.593 42.633 42.059 -0.032 0.000 1.153 409 L HN 0.037 nan 8.230 nan 0.000 0.439 410 P HA 0.175 nan 4.420 nan 0.000 0.277 410 P C -1.477 175.495 177.300 -0.546 0.000 1.240 410 P CA -0.535 62.342 63.100 -0.372 0.000 0.798 410 P CB 0.842 32.294 31.700 -0.413 0.000 0.979 411 N N 1.166 119.493 118.700 -0.622 0.000 2.372 411 N HA 0.412 5.152 4.740 -0.000 0.000 0.285 411 N C -0.999 174.137 175.510 -0.624 0.000 1.008 411 N CA -0.476 52.288 53.050 -0.477 0.000 0.880 411 N CB 1.065 39.409 38.487 -0.237 0.000 1.239 411 N HN 0.408 nan 8.380 nan 0.000 0.484 412 Y N -0.125 120.060 120.300 -0.191 0.000 2.602 412 Y HA 0.640 5.190 4.550 -0.000 0.000 0.342 412 Y C 0.176 175.719 175.900 -0.595 0.000 1.029 412 Y CA -1.243 56.583 58.100 -0.458 0.000 1.080 412 Y CB 1.185 39.213 38.460 -0.719 0.000 1.284 412 Y HN 0.480 nan 8.280 nan 0.000 0.485 413 C N -0.108 118.870 119.300 -0.537 0.000 2.507 413 C HA 0.897 5.357 4.460 -0.000 0.000 0.319 413 C C -0.974 173.606 174.990 -0.684 0.000 1.208 413 C CA -1.137 57.633 59.018 -0.413 0.000 1.619 413 C CB -0.413 27.223 27.740 -0.173 0.000 2.230 413 C HN 0.631 nan 8.230 nan 0.000 0.492 414 F N 0.206 120.148 119.950 -0.014 0.000 2.639 414 F HA 0.754 5.281 4.527 -0.000 0.000 0.339 414 F C -2.032 173.767 175.800 -0.001 0.000 1.071 414 F CA -2.323 55.658 58.000 -0.033 0.000 0.994 414 F CB 0.243 39.215 39.000 -0.046 0.000 1.341 414 F HN 0.362 nan 8.300 nan 0.000 0.498 415 P HA 0.209 nan 4.420 nan 0.000 0.269 415 P C 0.723 178.035 177.300 0.020 0.000 1.215 415 P CA -0.084 63.105 63.100 0.149 0.000 0.780 415 P CB 0.624 32.419 31.700 0.158 0.000 0.898 416 L N 1.115 122.325 121.223 -0.022 0.000 2.083 416 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 416 L C 2.482 179.003 176.870 -0.582 0.000 1.083 416 L CA 1.910 56.656 54.840 -0.157 0.000 0.752 416 L CB -1.171 40.884 42.059 -0.008 0.000 0.899 416 L HN 0.599 nan 8.230 nan 0.000 0.433 417 G N -0.860 107.469 108.800 -0.784 0.000 2.422 417 G HA2 0.026 3.986 3.960 -0.000 0.000 0.218 417 G HA3 0.026 3.986 3.960 -0.000 0.000 0.218 417 G C 1.303 175.728 174.900 -0.792 0.000 1.146 417 G CA 0.926 45.033 45.100 -1.656 0.000 0.769 417 G HN 0.579 nan 8.290 nan 0.000 0.547 418 G N -2.509 106.073 108.800 -0.364 0.000 2.192 418 G HA2 0.096 4.056 3.960 -0.000 0.000 0.193 418 G HA3 0.096 4.056 3.960 -0.000 0.000 0.193 418 G C 0.003 174.846 174.900 -0.095 0.000 0.999 418 G CA 0.345 45.319 45.100 -0.210 0.000 0.659 418 G HN 1.567 nan 8.290 nan 0.000 0.503 419 V N -0.524 119.362 119.914 -0.047 0.000 3.121 419 V HA 0.625 4.745 4.120 -0.000 0.000 0.263 419 V C -0.296 175.861 176.094 0.104 0.000 1.795 419 V CA 0.164 62.496 62.300 0.053 0.000 0.979 419 V CB 1.760 33.610 31.823 0.044 0.000 1.335 419 V HN 0.650 nan 8.190 nan 0.000 0.462 420 I N 1.968 122.615 120.570 0.128 0.000 4.866 420 I HA 0.359 4.529 4.170 -0.000 0.000 0.325 420 I C 0.298 176.457 176.117 0.070 0.000 1.240 420 I CA 0.053 61.428 61.300 0.124 0.000 1.355 420 I CB 0.761 38.832 38.000 0.118 0.000 1.395 420 I HN 0.677 nan 8.210 nan 0.000 0.479 421 N N 3.301 122.030 118.700 0.048 0.000 3.250 421 N HA 0.120 4.860 4.740 -0.000 0.000 0.307 421 N C -0.165 175.365 175.510 0.034 0.000 1.355 421 N CA 0.207 53.266 53.050 0.017 0.000 1.192 421 N CB 0.004 38.488 38.487 -0.004 0.000 1.478 421 N HN 0.366 nan 8.380 nan 0.000 0.543 422 T N -1.652 112.929 114.554 0.045 0.000 2.899 422 T HA 0.304 4.654 4.350 -0.000 0.000 0.295 422 T C 0.311 175.027 174.700 0.027 0.000 1.033 422 T CA -0.741 61.383 62.100 0.041 0.000 1.084 422 T CB 1.543 70.441 68.868 0.051 0.000 0.979 422 T HN 0.384 nan 8.240 nan 0.000 0.532 423 E N 0.834 121.048 120.200 0.023 0.000 2.212 423 E HA 0.414 4.764 4.350 -0.000 0.000 0.268 423 E C -1.140 175.470 176.600 0.016 0.000 0.902 423 E CA -1.027 55.383 56.400 0.017 0.000 0.779 423 E CB 1.348 31.058 29.700 0.017 0.000 1.172 423 E HN 0.514 nan 8.360 nan 0.000 0.409 424 T N 3.961 118.522 114.554 0.011 0.000 2.779 424 T HA 0.296 4.646 4.350 -0.000 0.000 0.296 424 T C 0.017 174.728 174.700 0.017 0.000 0.938 424 T CA -0.118 61.988 62.100 0.010 0.000 1.119 424 T CB -0.049 68.822 68.868 0.005 0.000 0.891 424 T HN 0.316 nan 8.240 nan 0.000 0.526 425 L N 2.253 123.490 121.223 0.024 0.000 2.283 425 L HA 0.649 4.989 4.340 -0.000 0.000 0.259 425 L C 0.238 177.138 176.870 0.050 0.000 1.027 425 L CA -1.105 53.758 54.840 0.038 0.000 0.828 425 L CB 2.261 44.349 42.059 0.048 0.000 1.380 425 L HN 0.465 nan 8.230 nan 0.000 0.425 426 T N 0.458 115.053 114.554 0.068 0.000 2.841 426 T HA 0.275 4.625 4.350 -0.000 0.000 0.283 426 T C -0.248 174.528 174.700 0.126 0.000 1.000 426 T CA -0.673 61.479 62.100 0.087 0.000 0.977 426 T CB 1.789 70.700 68.868 0.071 0.000 0.979 426 T HN 0.255 nan 8.240 nan 0.000 0.446 427 K N 2.169 122.670 120.400 0.169 0.000 2.469 427 K HA 0.325 4.645 4.320 -0.000 0.000 0.274 427 K C -0.710 175.968 176.600 0.129 0.000 0.983 427 K CA 0.130 56.540 56.287 0.204 0.000 0.974 427 K CB 0.474 33.157 32.500 0.306 0.000 0.913 427 K HN 0.388 nan 8.250 nan 0.000 0.493 428 V N 3.589 123.571 119.914 0.114 0.000 2.971 428 V HA 0.413 4.533 4.120 -0.000 0.000 0.309 428 V C -0.684 175.423 176.094 0.021 0.000 1.130 428 V CA -0.911 61.463 62.300 0.123 0.000 0.964 428 V CB 2.475 34.467 31.823 0.282 0.000 1.029 428 V HN 0.701 nan 8.190 nan 0.000 0.427 429 K N 4.010 124.409 120.400 -0.003 0.000 2.426 429 K HA 0.616 4.936 4.320 -0.000 0.000 0.251 429 K C -2.783 173.719 176.600 -0.164 0.000 0.941 429 K CA -1.707 54.508 56.287 -0.118 0.000 0.808 429 K CB 2.920 35.360 32.500 -0.100 0.000 1.265 429 K HN 0.386 nan 8.250 nan 0.000 0.432 430 P HA 0.162 nan 4.420 nan 0.000 0.282 430 P C -1.296 175.916 177.300 -0.146 0.000 1.287 430 P CA -0.396 62.487 63.100 -0.361 0.000 0.792 430 P CB 0.441 31.864 31.700 -0.462 0.000 1.163 431 K N -1.601 118.746 120.400 -0.089 0.000 6.365 431 K HA -0.107 4.213 4.320 -0.000 0.000 0.786 431 K C 0.126 176.730 176.600 0.006 0.000 2.401 431 K CA 0.634 56.901 56.287 -0.033 0.000 1.752 431 K CB -2.040 30.430 32.500 -0.051 0.000 2.498 431 K HN 0.838 nan 8.250 nan 0.000 0.213 432 T N -0.324 114.246 114.554 0.026 0.000 6.178 432 T HA -0.106 4.244 4.350 -0.000 0.000 0.277 432 T C 0.871 175.605 174.700 0.057 0.000 2.183 432 T CA 1.271 63.393 62.100 0.036 0.000 3.733 432 T CB -1.222 67.667 68.868 0.034 0.000 0.719 432 T HN 0.966 nan 8.240 nan 0.000 0.455 433 G N 2.267 111.125 108.800 0.096 0.000 3.448 433 G HA2 0.421 4.381 3.960 -0.000 0.000 0.261 433 G HA3 0.421 4.381 3.960 -0.000 0.000 0.261 433 G C 0.249 175.216 174.900 0.111 0.000 1.173 433 G CA -0.134 45.032 45.100 0.111 0.000 0.835 433 G HN 0.674 nan 8.290 nan 0.000 0.534 434 Q N 0.415 120.267 119.800 0.087 0.000 2.454 434 Q HA 0.235 4.575 4.340 -0.000 0.000 0.247 434 Q C -0.508 175.524 176.000 0.052 0.000 1.028 434 Q CA -0.133 55.715 55.803 0.074 0.000 0.910 434 Q CB 1.151 29.920 28.738 0.051 0.000 1.276 434 Q HN 0.271 nan 8.270 nan 0.000 0.489 435 E N 1.933 122.161 120.200 0.047 0.000 2.417 435 E HA -0.059 4.291 4.350 -0.000 0.000 0.261 435 E C -0.652 176.002 176.600 0.089 0.000 1.000 435 E CA -0.165 56.269 56.400 0.057 0.000 0.919 435 E CB 0.127 29.852 29.700 0.042 0.000 0.955 435 E HN 0.467 nan 8.360 nan 0.000 0.455 436 N N 1.538 120.313 118.700 0.126 0.000 2.681 436 N HA -0.138 4.602 4.740 -0.000 0.000 0.259 436 N C -0.598 175.108 175.510 0.327 0.000 1.066 436 N CA 1.109 54.300 53.050 0.236 0.000 0.717 436 N CB -1.298 37.311 38.487 0.205 0.000 0.885 436 N HN 0.647 nan 8.380 nan 0.000 0.547 437 G N -0.831 108.172 108.800 0.339 0.000 2.452 437 G HA2 0.658 4.618 3.960 -0.000 0.000 0.324 437 G HA3 0.658 4.618 3.960 -0.000 0.000 0.324 437 G C -0.858 174.412 174.900 0.615 0.000 1.214 437 G CA -0.666 44.660 45.100 0.376 0.000 0.947 437 G HN 0.179 nan 8.290 nan 0.000 0.478 438 W N 0.357 121.655 121.300 -0.003 0.000 2.736 438 W HA 0.671 5.331 4.660 -0.000 0.000 0.335 438 W C 0.089 176.605 176.519 -0.004 0.000 1.059 438 W CA -1.266 56.076 57.345 -0.004 0.000 1.226 438 W CB 1.381 30.840 29.460 -0.001 0.000 1.416 438 W HN 0.473 nan 8.180 nan 0.000 0.505 439 E N 0.800 121.121 120.200 0.202 0.000 2.359 439 E HA 0.391 4.741 4.350 -0.000 0.000 0.266 439 E C -0.639 176.016 176.600 0.092 0.000 0.920 439 E CA -1.215 55.254 56.400 0.115 0.000 0.788 439 E CB 2.461 32.200 29.700 0.065 0.000 1.279 439 E HN 0.171 nan 8.360 nan 0.000 0.438 440 K N 1.080 121.520 120.400 0.067 0.000 2.319 440 K HA 0.041 4.361 4.320 -0.000 0.000 0.265 440 K C -0.371 176.246 176.600 0.028 0.000 1.000 440 K CA -0.014 56.306 56.287 0.055 0.000 0.943 440 K CB 0.363 32.891 32.500 0.046 0.000 0.950 440 K HN 0.353 nan 8.250 nan 0.000 0.485 441 D N 0.632 121.045 120.400 0.021 0.000 2.210 441 D HA 0.180 4.820 4.640 -0.000 0.000 0.249 441 D C 0.181 176.479 176.300 -0.004 0.000 1.078 441 D CA -0.129 53.859 54.000 -0.020 0.000 0.875 441 D CB 1.771 42.529 40.800 -0.070 0.000 1.175 441 D HN 0.540 nan 8.370 nan 0.000 0.440 442 A N 2.339 125.147 122.820 -0.020 0.000 1.984 442 A HA -0.033 4.287 4.320 -0.000 0.000 0.214 442 A C 1.463 179.046 177.584 -0.001 0.000 1.173 442 A CA 0.897 52.932 52.037 -0.004 0.000 0.673 442 A CB -0.319 18.676 19.000 -0.008 0.000 0.830 442 A HN 0.611 nan 8.150 nan 0.000 0.453 443 T N 0.028 114.563 114.554 -0.033 0.000 3.500 443 T HA 0.231 4.581 4.350 -0.000 0.000 0.244 443 T C 0.063 174.781 174.700 0.030 0.000 0.962 443 T CA -0.273 61.813 62.100 -0.024 0.000 0.932 443 T CB -0.827 67.995 68.868 -0.076 0.000 1.096 443 T HN 0.504 nan 8.240 nan 0.000 0.617 444 E N 0.593 120.851 120.200 0.097 0.000 2.458 444 E HA 0.143 4.493 4.350 -0.000 0.000 0.264 444 E C -0.544 176.246 176.600 0.316 0.000 1.097 444 E CA -0.061 56.497 56.400 0.263 0.000 0.973 444 E CB 0.038 29.840 29.700 0.170 0.000 0.963 444 E HN 0.419 nan 8.360 nan 0.000 0.451 445 F N 0.187 120.137 119.950 -0.001 0.000 2.744 445 F HA -0.226 4.301 4.527 -0.000 0.000 0.377 445 F C 0.512 176.314 175.800 0.002 0.000 1.069 445 F CA 0.561 58.562 58.000 0.002 0.000 1.211 445 F CB -2.051 36.952 39.000 0.005 0.000 1.606 445 F HN 0.379 nan 8.300 nan 0.000 0.781 446 S N 0.389 116.124 115.700 0.059 0.000 2.599 446 S HA -0.006 4.464 4.470 -0.000 0.000 0.303 446 S C 1.352 175.981 174.600 0.048 0.000 1.267 446 S CA 0.023 58.245 58.200 0.036 0.000 1.055 446 S CB 0.777 63.971 63.200 -0.011 0.000 0.790 446 S HN 0.546 nan 8.310 nan 0.000 0.500 447 D N 1.587 122.017 120.400 0.050 0.000 2.403 447 D HA -0.115 4.525 4.640 -0.000 0.000 0.227 447 D C -0.041 176.278 176.300 0.031 0.000 0.995 447 D CA 0.739 54.769 54.000 0.051 0.000 0.928 447 D CB -0.214 40.611 40.800 0.042 0.000 0.887 447 D HN 0.672 nan 8.370 nan 0.000 0.529 448 K N 0.772 121.178 120.400 0.011 0.000 2.530 448 K HA 0.292 4.612 4.320 -0.000 0.000 0.230 448 K C -0.883 175.703 176.600 -0.024 0.000 1.002 448 K CA -0.641 55.643 56.287 -0.005 0.000 1.014 448 K CB 0.944 33.436 32.500 -0.013 0.000 1.286 448 K HN -0.103 nan 8.250 nan 0.000 0.480 449 N N 2.030 120.719 118.700 -0.018 0.000 2.314 449 N HA 0.206 4.946 4.740 -0.000 0.000 0.294 449 N C -1.029 174.470 175.510 -0.019 0.000 1.029 449 N CA -0.732 52.294 53.050 -0.039 0.000 0.845 449 N CB 1.853 40.310 38.487 -0.049 0.000 1.321 449 N HN 0.314 nan 8.380 nan 0.000 0.481 450 E N 1.434 121.620 120.200 -0.023 0.000 2.105 450 E HA 0.422 4.772 4.350 -0.000 0.000 0.285 450 E C -0.360 176.247 176.600 0.012 0.000 1.055 450 E CA 0.041 56.441 56.400 -0.000 0.000 0.843 450 E CB 0.680 30.384 29.700 0.007 0.000 1.067 450 E HN 0.405 nan 8.360 nan 0.000 0.398 451 I N 2.692 123.274 120.570 0.020 0.000 2.498 451 I HA 0.385 4.555 4.170 -0.000 0.000 0.290 451 I C -0.282 175.854 176.117 0.031 0.000 1.032 451 I CA -1.275 60.040 61.300 0.025 0.000 1.073 451 I CB 1.813 39.830 38.000 0.027 0.000 1.251 451 I HN 0.209 nan 8.210 nan 0.000 0.426 452 R N 5.572 126.093 120.500 0.034 0.000 2.297 452 R HA 0.541 4.881 4.340 -0.000 0.000 0.308 452 R C -1.619 174.700 176.300 0.032 0.000 1.029 452 R CA -0.287 55.835 56.100 0.037 0.000 0.929 452 R CB 1.140 31.466 30.300 0.043 0.000 1.046 452 R HN 0.407 nan 8.270 nan 0.000 0.461 453 V N 5.526 125.460 119.914 0.032 0.000 2.347 453 V HA 0.793 4.913 4.120 -0.000 0.000 0.280 453 V C 0.730 176.843 176.094 0.030 0.000 1.021 453 V CA 0.487 62.805 62.300 0.029 0.000 0.847 453 V CB 0.424 32.264 31.823 0.028 0.000 0.990 453 V HN 1.066 nan 8.190 nan 0.000 0.444 454 G N 5.102 113.918 108.800 0.027 0.000 2.483 454 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.521 454 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.521 454 G C -0.701 174.214 174.900 0.025 0.000 1.278 454 G CA -0.821 44.295 45.100 0.026 0.000 0.965 454 G HN 0.581 nan 8.290 nan 0.000 0.504 455 N N 0.962 119.677 118.700 0.025 0.000 2.424 455 N HA 0.328 5.068 4.740 -0.000 0.000 0.257 455 N C 0.837 176.376 175.510 0.049 0.000 1.250 455 N CA 0.323 53.384 53.050 0.017 0.000 0.946 455 N CB 0.293 38.781 38.487 0.001 0.000 1.175 455 N HN 0.908 nan 8.380 nan 0.000 0.477 456 N N -0.431 118.299 118.700 0.050 0.000 2.317 456 N HA 0.065 4.805 4.740 -0.000 0.000 0.245 456 N C -0.603 175.018 175.510 0.186 0.000 1.294 456 N CA -0.283 52.834 53.050 0.113 0.000 0.924 456 N CB 0.145 38.688 38.487 0.092 0.000 1.186 456 N HN 0.403 nan 8.380 nan 0.000 0.495 457 F N -0.329 119.667 119.950 0.077 0.000 2.438 457 F HA 0.567 5.094 4.527 -0.000 0.000 0.356 457 F C -0.208 175.635 175.800 0.070 0.000 1.099 457 F CA -0.878 57.157 58.000 0.060 0.000 1.185 457 F CB -0.107 38.925 39.000 0.054 0.000 1.115 457 F HN 0.720 nan 8.300 nan 0.000 0.526 458 A N 7.528 129.942 122.820 -0.676 0.000 2.498 458 A HA 0.828 5.148 4.320 -0.000 0.000 0.298 458 A C -1.235 175.918 177.584 -0.718 0.000 1.075 458 A CA -0.885 50.752 52.037 -0.667 0.000 0.714 458 A CB 1.533 20.225 19.000 -0.513 0.000 1.299 458 A HN 0.661 nan 8.150 nan 0.000 0.407 459 M N 1.334 120.622 119.600 -0.520 0.000 2.465 459 M HA 0.471 4.951 4.480 -0.000 0.000 0.316 459 M C -0.386 175.835 176.300 -0.131 0.000 1.121 459 M CA -0.216 54.905 55.300 -0.298 0.000 0.934 459 M CB 1.666 34.122 32.600 -0.240 0.000 1.692 459 M HN 0.950 nan 8.290 nan 0.000 0.444 460 E N 2.275 122.436 120.200 -0.064 0.000 2.207 460 E HA 0.782 5.132 4.350 -0.000 0.000 0.270 460 E C -1.771 174.739 176.600 -0.149 0.000 0.927 460 E CA -0.634 55.703 56.400 -0.105 0.000 0.799 460 E CB 2.574 32.229 29.700 -0.076 0.000 1.172 460 E HN 0.728 nan 8.360 nan 0.000 0.404 461 I N 3.060 123.511 120.570 -0.197 0.000 2.722 461 I HA 0.277 4.447 4.170 -0.000 0.000 0.292 461 I C -1.762 174.259 176.117 -0.160 0.000 1.267 461 I CA -0.807 60.403 61.300 -0.150 0.000 1.036 461 I CB 2.004 39.941 38.000 -0.104 0.000 1.281 461 I HN 0.483 nan 8.210 nan 0.000 0.423 462 N N 7.487 126.110 118.700 -0.128 0.000 2.602 462 N HA 0.230 4.970 4.740 -0.000 0.000 0.238 462 N C 0.691 176.169 175.510 -0.054 0.000 1.084 462 N CA -0.023 52.966 53.050 -0.102 0.000 0.952 462 N CB 0.776 39.211 38.487 -0.087 0.000 1.244 462 N HN 0.787 nan 8.380 nan 0.000 0.512 463 L N 3.348 124.537 121.223 -0.056 0.000 1.956 463 L HA -0.249 4.091 4.340 -0.000 0.000 0.216 463 L C 1.735 178.613 176.870 0.014 0.000 1.073 463 L CA 1.569 56.397 54.840 -0.021 0.000 0.762 463 L CB -0.254 41.789 42.059 -0.027 0.000 0.889 463 L HN 0.603 nan 8.230 nan 0.000 0.433 464 N N -0.859 117.845 118.700 0.007 0.000 2.149 464 N HA -0.209 4.531 4.740 -0.000 0.000 0.188 464 N C 1.759 177.323 175.510 0.090 0.000 1.019 464 N CA 1.083 54.152 53.050 0.031 0.000 0.857 464 N CB -0.149 38.335 38.487 -0.005 0.000 0.997 464 N HN 0.403 nan 8.380 nan 0.000 0.426 465 A N 1.257 124.126 122.820 0.080 0.000 1.898 465 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 465 A C 1.985 179.666 177.584 0.160 0.000 1.181 465 A CA 1.121 53.245 52.037 0.144 0.000 0.620 465 A CB -0.379 18.674 19.000 0.088 0.000 0.819 465 A HN 0.265 nan 8.150 nan 0.000 0.442 466 N N 0.085 118.842 118.700 0.095 0.000 2.058 466 N HA -0.105 4.635 4.740 -0.000 0.000 0.191 466 N C 1.794 177.378 175.510 0.122 0.000 1.037 466 N CA 1.433 54.531 53.050 0.079 0.000 0.848 466 N CB -0.378 38.133 38.487 0.041 0.000 1.021 466 N HN 0.465 nan 8.380 nan 0.000 0.422 467 L N 0.121 121.430 121.223 0.142 0.000 2.042 467 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 467 L C 2.438 179.488 176.870 0.300 0.000 1.076 467 L CA 1.192 56.141 54.840 0.182 0.000 0.749 467 L CB -0.348 41.797 42.059 0.144 0.000 0.893 467 L HN 0.448 nan 8.230 nan 0.000 0.432 468 W N 0.948 122.285 121.300 0.062 0.000 2.355 468 W HA -0.279 4.381 4.660 -0.000 0.000 0.309 468 W C 2.731 179.342 176.519 0.154 0.000 1.206 468 W CA 1.203 58.596 57.345 0.080 0.000 1.284 468 W CB -0.078 29.397 29.460 0.024 0.000 1.145 468 W HN 0.094 nan 8.180 nan 0.000 0.502 469 R N 0.633 121.180 120.500 0.078 0.000 2.083 469 R HA -0.194 4.146 4.340 -0.000 0.000 0.237 469 R C 2.099 178.389 176.300 -0.016 0.000 1.137 469 R CA 2.030 58.078 56.100 -0.087 0.000 0.951 469 R CB -0.778 29.511 30.300 -0.019 0.000 0.851 469 R HN 0.241 nan 8.270 nan 0.000 0.434 470 N N -0.381 118.366 118.700 0.079 0.000 2.149 470 N HA -0.209 4.531 4.740 -0.000 0.000 0.188 470 N C 1.657 177.255 175.510 0.148 0.000 1.019 470 N CA 1.367 54.487 53.050 0.115 0.000 0.857 470 N CB -0.172 38.391 38.487 0.128 0.000 0.997 470 N HN 0.171 nan 8.380 nan 0.000 0.426 471 F N 2.085 122.053 119.950 0.031 0.000 2.113 471 F HA -0.061 4.466 4.527 -0.000 0.000 0.297 471 F C 2.117 177.873 175.800 -0.072 0.000 1.103 471 F CA 0.994 59.013 58.000 0.031 0.000 1.248 471 F CB -0.357 38.700 39.000 0.095 0.000 0.999 471 F HN -0.089 nan 8.300 nan 0.000 0.475 472 L N -1.055 120.015 121.223 -0.255 0.000 2.046 472 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 472 L C 2.387 179.125 176.870 -0.221 0.000 1.077 472 L CA 1.780 56.391 54.840 -0.382 0.000 0.747 472 L CB -1.014 40.758 42.059 -0.478 0.000 0.896 472 L HN 0.250 nan 8.230 nan 0.000 0.432 473 Y N -0.260 119.915 120.300 -0.209 0.000 2.200 473 Y HA -0.272 4.278 4.550 -0.000 0.000 0.290 473 Y C 2.988 178.826 175.900 -0.103 0.000 1.137 473 Y CA 1.757 59.773 58.100 -0.140 0.000 1.163 473 Y CB -0.007 38.385 38.460 -0.112 0.000 0.988 473 Y HN 0.114 nan 8.280 nan 0.000 0.518 474 S N -0.027 115.639 115.700 -0.057 0.000 2.368 474 S HA -0.166 4.304 4.470 -0.000 0.000 0.224 474 S C 1.691 176.310 174.600 0.033 0.000 1.029 474 S CA 1.705 59.873 58.200 -0.054 0.000 0.988 474 S CB -0.366 62.869 63.200 0.058 0.000 0.838 474 S HN 0.611 nan 8.310 nan 0.000 0.462 475 N N 0.084 118.731 118.700 -0.088 0.000 2.409 475 N HA 0.245 4.985 4.740 -0.000 0.000 0.174 475 N C 1.512 177.053 175.510 0.051 0.000 1.037 475 N CA 0.876 53.934 53.050 0.014 0.000 0.898 475 N CB 0.225 38.466 38.487 -0.409 0.000 1.010 475 N HN 0.461 nan 8.380 nan 0.000 0.445 476 I N 0.304 120.813 120.570 -0.101 0.000 3.345 476 I HA 0.119 4.289 4.170 -0.000 0.000 0.258 476 I C 2.266 178.351 176.117 -0.054 0.000 1.134 476 I CA 0.180 61.445 61.300 -0.058 0.000 1.457 476 I CB -0.316 37.612 38.000 -0.120 0.000 1.425 476 I HN -0.136 nan 8.210 nan 0.000 0.461 477 A N 1.764 124.482 122.820 -0.170 0.000 1.859 477 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 477 A C 2.234 179.622 177.584 -0.327 0.000 1.209 477 A CA 1.886 53.775 52.037 -0.248 0.000 0.639 477 A CB -1.260 17.528 19.000 -0.353 0.000 0.835 477 A HN 0.396 nan 8.150 nan 0.000 0.450 478 L N -2.309 118.612 121.223 -0.502 0.000 2.353 478 L HA -0.185 4.155 4.340 -0.000 0.000 0.220 478 L C 1.917 178.504 176.870 -0.472 0.000 1.133 478 L CA 0.995 55.517 54.840 -0.530 0.000 0.798 478 L CB -0.360 41.319 42.059 -0.633 0.000 0.922 478 L HN 0.544 nan 8.230 nan 0.000 0.445 479 Y N -0.969 119.200 120.300 -0.219 0.000 2.457 479 Y HA 0.174 4.724 4.550 -0.000 0.000 0.263 479 Y C 1.063 176.899 175.900 -0.107 0.000 1.164 479 Y CA -0.589 57.427 58.100 -0.140 0.000 1.274 479 Y CB 0.074 38.485 38.460 -0.082 0.000 1.097 479 Y HN 0.013 nan 8.280 nan 0.000 0.523 480 L N 1.693 122.896 121.223 -0.033 0.000 2.483 480 L HA 0.052 4.392 4.340 -0.000 0.000 0.275 480 L C -1.912 174.916 176.870 -0.072 0.000 1.220 480 L CA -1.748 53.060 54.840 -0.054 0.000 0.833 480 L CB 0.142 42.131 42.059 -0.117 0.000 1.102 480 L HN -0.076 nan 8.230 nan 0.000 0.490 481 P HA -0.066 nan 4.420 nan 0.000 0.266 481 P C -0.069 177.186 177.300 -0.075 0.000 1.193 481 P CA 0.076 63.149 63.100 -0.045 0.000 0.770 481 P CB 0.491 32.170 31.700 -0.036 0.000 0.836 482 D N 2.432 122.813 120.400 -0.031 0.000 2.221 482 D HA -0.190 4.450 4.640 -0.000 0.000 0.204 482 D C 1.601 177.885 176.300 -0.026 0.000 0.982 482 D CA 1.319 55.306 54.000 -0.021 0.000 0.857 482 D CB -0.027 40.814 40.800 0.068 0.000 0.934 482 D HN 0.426 nan 8.370 nan 0.000 0.475 483 K N -0.052 120.331 120.400 -0.027 0.000 2.280 483 K HA -0.103 4.217 4.320 -0.000 0.000 0.202 483 K C 1.728 178.293 176.600 -0.057 0.000 1.047 483 K CA 0.884 57.156 56.287 -0.025 0.000 0.942 483 K CB -0.269 32.221 32.500 -0.015 0.000 0.739 483 K HN 0.246 nan 8.250 nan 0.000 0.457 484 L N 0.636 121.789 121.223 -0.116 0.000 2.592 484 L HA 0.139 4.479 4.340 -0.000 0.000 0.227 484 L C 0.701 177.528 176.870 -0.071 0.000 1.127 484 L CA 0.025 54.780 54.840 -0.142 0.000 0.884 484 L CB 0.038 41.926 42.059 -0.284 0.000 1.065 484 L HN 0.117 nan 8.230 nan 0.000 0.457 485 K N -0.057 120.303 120.400 -0.068 0.000 2.240 485 K HA 0.514 4.834 4.320 -0.000 0.000 0.237 485 K C -1.167 175.449 176.600 0.027 0.000 1.027 485 K CA -0.661 55.576 56.287 -0.084 0.000 0.937 485 K CB 1.416 33.799 32.500 -0.195 0.000 1.171 485 K HN -0.125 nan 8.250 nan 0.000 0.479 486 Y N -3.094 117.133 120.300 -0.122 0.000 2.552 486 Y HA 0.399 4.949 4.550 -0.000 0.000 0.337 486 Y C -0.905 174.923 175.900 -0.121 0.000 1.094 486 Y CA -1.188 56.850 58.100 -0.103 0.000 1.028 486 Y CB 1.016 39.422 38.460 -0.089 0.000 1.321 486 Y HN 0.321 nan 8.280 nan 0.000 0.456 487 S N 4.724 120.446 115.700 0.037 0.000 2.562 487 S HA 0.309 4.779 4.470 -0.000 0.000 0.281 487 S C -2.355 172.260 174.600 0.026 0.000 1.333 487 S CA -0.833 57.334 58.200 -0.055 0.000 1.052 487 S CB 0.276 63.471 63.200 -0.009 0.000 0.884 487 S HN 0.567 nan 8.310 nan 0.000 0.506 488 P HA 0.184 nan 4.420 nan 0.000 0.278 488 P C -0.763 176.556 177.300 0.031 0.000 1.238 488 P CA -0.538 62.561 63.100 -0.002 0.000 0.794 488 P CB 0.731 32.397 31.700 -0.056 0.000 0.955 489 S N 1.367 117.101 115.700 0.056 0.000 2.562 489 S HA 0.238 4.708 4.470 -0.000 0.000 0.275 489 S C 0.590 175.175 174.600 -0.025 0.000 1.281 489 S CA -0.565 57.648 58.200 0.022 0.000 1.045 489 S CB -0.053 63.167 63.200 0.034 0.000 0.962 489 S HN 0.553 nan 8.310 nan 0.000 0.503 490 N N -1.109 117.571 118.700 -0.033 0.000 2.800 490 N HA -0.130 4.610 4.740 -0.000 0.000 0.250 490 N C -0.947 174.531 175.510 -0.053 0.000 1.078 490 N CA 0.960 53.977 53.050 -0.055 0.000 0.804 490 N CB -1.642 36.786 38.487 -0.098 0.000 1.135 490 N HN 0.552 nan 8.380 nan 0.000 0.565 491 V N 0.650 120.543 119.914 -0.036 0.000 2.656 491 V HA 0.264 4.384 4.120 -0.000 0.000 0.307 491 V C 0.447 176.528 176.094 -0.022 0.000 1.051 491 V CA -0.964 61.318 62.300 -0.030 0.000 0.893 491 V CB 2.475 34.283 31.823 -0.026 0.000 0.999 491 V HN -0.034 nan 8.190 nan 0.000 0.426 492 K N 4.328 124.719 120.400 -0.016 0.000 2.379 492 K HA 0.538 4.858 4.320 -0.000 0.000 0.284 492 K C -0.676 175.916 176.600 -0.014 0.000 1.044 492 K CA 0.060 56.342 56.287 -0.009 0.000 0.974 492 K CB 1.169 33.668 32.500 -0.003 0.000 0.962 492 K HN 0.575 nan 8.250 nan 0.000 0.474 493 I N 1.190 121.757 120.570 -0.005 0.000 2.619 493 I HA 0.115 4.285 4.170 -0.000 0.000 0.292 493 I C -0.170 175.977 176.117 0.050 0.000 1.100 493 I CA -0.505 60.794 61.300 -0.003 0.000 1.043 493 I CB 2.063 40.039 38.000 -0.040 0.000 1.239 493 I HN 0.622 nan 8.210 nan 0.000 0.420 494 S N 3.805 119.549 115.700 0.073 0.000 2.566 494 S HA -0.003 4.467 4.470 -0.000 0.000 0.280 494 S C 0.535 175.205 174.600 0.117 0.000 1.343 494 S CA 0.458 58.709 58.200 0.086 0.000 1.036 494 S CB 0.662 63.909 63.200 0.079 0.000 0.866 494 S HN 0.750 nan 8.310 nan 0.000 0.526 495 D N 1.117 121.539 120.400 0.035 0.000 2.305 495 D HA 0.106 4.746 4.640 -0.000 0.000 0.206 495 D C 0.121 176.349 176.300 -0.121 0.000 0.974 495 D CA 0.389 54.382 54.000 -0.012 0.000 0.871 495 D CB 0.014 40.807 40.800 -0.012 0.000 0.947 495 D HN 0.415 nan 8.370 nan 0.000 0.516 496 N N 1.033 119.661 118.700 -0.120 0.000 2.406 496 N HA 0.060 4.800 4.740 -0.000 0.000 0.251 496 N C -1.880 173.400 175.510 -0.383 0.000 1.069 496 N CA -1.789 51.149 53.050 -0.186 0.000 0.947 496 N CB 1.422 39.858 38.487 -0.086 0.000 1.111 496 N HN -0.060 nan 8.380 nan 0.000 0.497 497 P HA -0.009 nan 4.420 nan 0.000 0.237 497 P C -0.068 177.047 177.300 -0.308 0.000 1.178 497 P CA 0.661 63.207 63.100 -0.924 0.000 0.766 497 P CB 0.493 31.745 31.700 -0.747 0.000 0.876 498 N N -0.651 117.948 118.700 -0.167 0.000 2.336 498 N HA 0.036 4.776 4.740 -0.000 0.000 0.189 498 N C 0.464 175.968 175.510 -0.011 0.000 1.113 498 N CA 0.424 53.443 53.050 -0.052 0.000 0.858 498 N CB -0.035 38.428 38.487 -0.040 0.000 0.970 498 N HN 0.099 nan 8.380 nan 0.000 0.471 499 T N -0.015 114.535 114.554 -0.006 0.000 2.913 499 T HA 0.064 4.414 4.350 -0.000 0.000 0.287 499 T C 1.055 175.810 174.700 0.091 0.000 1.008 499 T CA -0.384 61.747 62.100 0.051 0.000 1.067 499 T CB 1.353 70.250 68.868 0.049 0.000 0.996 499 T HN 0.164 nan 8.240 nan 0.000 0.513 500 Y N 2.019 122.303 120.300 -0.026 0.000 2.220 500 Y HA -0.107 4.443 4.550 -0.000 0.000 0.291 500 Y C 2.234 178.089 175.900 -0.076 0.000 1.129 500 Y CA 1.966 60.029 58.100 -0.063 0.000 1.161 500 Y CB -0.155 38.255 38.460 -0.085 0.000 0.997 500 Y HN 0.825 nan 8.280 nan 0.000 0.522 501 D N -0.873 119.524 120.400 -0.005 0.000 2.133 501 D HA -0.317 4.323 4.640 -0.000 0.000 0.195 501 D C 2.033 178.226 176.300 -0.178 0.000 0.997 501 D CA 1.844 55.776 54.000 -0.114 0.000 0.840 501 D CB -0.541 40.265 40.800 0.010 0.000 0.947 501 D HN 0.537 nan 8.370 nan 0.000 0.452 502 Y N 0.342 120.527 120.300 -0.191 0.000 2.163 502 Y HA -0.112 4.438 4.550 -0.000 0.000 0.288 502 Y C 2.130 177.879 175.900 -0.252 0.000 1.136 502 Y CA 1.619 59.610 58.100 -0.182 0.000 1.147 502 Y CB -0.143 38.247 38.460 -0.117 0.000 0.987 502 Y HN -0.003 nan 8.280 nan 0.000 0.509 503 M N -0.209 119.299 119.600 -0.154 0.000 2.460 503 M HA -0.131 4.349 4.480 -0.000 0.000 0.263 503 M C 1.520 177.521 176.300 -0.498 0.000 1.071 503 M CA 1.557 56.683 55.300 -0.290 0.000 1.096 503 M CB -0.325 32.152 32.600 -0.204 0.000 1.408 503 M HN 0.278 nan 8.290 nan 0.000 0.463 504 N N 0.741 119.053 118.700 -0.647 0.000 2.409 504 N HA -0.018 4.722 4.740 -0.000 0.000 0.174 504 N C 1.277 176.394 175.510 -0.656 0.000 1.037 504 N CA 0.907 53.506 53.050 -0.752 0.000 0.898 504 N CB 0.306 38.148 38.487 -1.075 0.000 1.010 504 N HN 0.208 nan 8.380 nan 0.000 0.445 505 K N -0.591 119.485 120.400 -0.540 0.000 2.348 505 K HA 0.202 4.522 4.320 -0.000 0.000 0.194 505 K C -0.062 176.315 176.600 -0.371 0.000 1.052 505 K CA -0.237 55.808 56.287 -0.402 0.000 1.004 505 K CB 0.498 32.816 32.500 -0.302 0.000 0.873 505 K HN -0.022 nan 8.250 nan 0.000 0.523 506 R N 1.962 122.162 120.500 -0.501 0.000 2.502 506 R HA 0.011 4.351 4.340 -0.000 0.000 0.292 506 R C -0.218 175.820 176.300 -0.437 0.000 0.998 506 R CA 0.130 55.919 56.100 -0.519 0.000 1.056 506 R CB 0.601 30.528 30.300 -0.621 0.000 0.939 506 R HN -0.033 nan 8.270 nan 0.000 0.411 507 V N 3.915 123.507 119.914 -0.537 0.000 2.539 507 V HA 0.454 4.574 4.120 -0.000 0.000 0.292 507 V C -0.519 175.231 176.094 -0.572 0.000 1.045 507 V CA -0.624 61.346 62.300 -0.551 0.000 0.945 507 V CB 1.895 33.320 31.823 -0.663 0.000 0.993 507 V HN 0.449 nan 8.190 nan 0.000 0.464 508 V N 6.822 126.573 119.914 -0.273 0.000 2.604 508 V HA 0.876 4.996 4.120 -0.000 0.000 0.305 508 V C 0.388 176.511 176.094 0.049 0.000 1.043 508 V CA -0.075 62.148 62.300 -0.130 0.000 0.888 508 V CB 1.672 33.403 31.823 -0.152 0.000 0.995 508 V HN 1.492 nan 8.190 nan 0.000 0.429 509 A N 7.241 130.107 122.820 0.077 0.000 2.454 509 A HA 0.552 4.872 4.320 -0.000 0.000 0.260 509 A C -1.661 175.985 177.584 0.103 0.000 1.106 509 A CA -0.965 51.118 52.037 0.078 0.000 0.780 509 A CB 0.263 19.283 19.000 0.034 0.000 1.044 509 A HN 0.809 nan 8.150 nan 0.000 0.498 510 P HA -0.120 nan 4.420 nan 0.000 0.218 510 P C 1.591 178.913 177.300 0.038 0.000 1.148 510 P CA 1.702 64.854 63.100 0.086 0.000 0.822 510 P CB 0.203 31.830 31.700 -0.122 0.000 0.784 511 G N -0.754 108.066 108.800 0.033 0.000 2.586 511 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.215 511 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.215 511 G C 1.281 176.220 174.900 0.065 0.000 1.128 511 G CA 0.255 45.392 45.100 0.060 0.000 0.774 511 G HN 0.263 nan 8.290 nan 0.000 0.543 512 L N -0.364 120.889 121.223 0.050 0.000 2.240 512 L HA 0.111 4.451 4.340 -0.000 0.000 0.211 512 L C 0.593 177.505 176.870 0.070 0.000 1.106 512 L CA 0.403 55.285 54.840 0.071 0.000 0.793 512 L CB 0.340 42.423 42.059 0.039 0.000 0.927 512 L HN 0.026 nan 8.230 nan 0.000 0.446 513 V N -0.893 119.025 119.914 0.007 0.000 2.502 513 V HA 0.225 4.345 4.120 -0.000 0.000 0.261 513 V C -0.504 175.495 176.094 -0.158 0.000 0.996 513 V CA -0.605 61.667 62.300 -0.045 0.000 1.095 513 V CB 0.798 32.591 31.823 -0.049 0.000 1.325 513 V HN 0.068 nan 8.190 nan 0.000 0.574 514 D N 0.580 120.811 120.400 -0.282 0.000 2.387 514 D HA 0.155 4.795 4.640 -0.000 0.000 0.251 514 D C 1.434 177.423 176.300 -0.519 0.000 1.141 514 D CA -0.100 53.612 54.000 -0.480 0.000 0.987 514 D CB 2.272 42.588 40.800 -0.807 0.000 1.116 514 D HN 0.559 nan 8.370 nan 0.000 0.491 515 C N 0.530 119.590 119.300 -0.400 0.000 2.421 515 C HA -0.099 4.361 4.460 -0.000 0.000 0.296 515 C C 1.654 176.709 174.990 0.108 0.000 1.470 515 C CA -0.106 58.838 59.018 -0.124 0.000 1.779 515 C CB -2.317 25.512 27.740 0.148 0.000 1.715 515 C HN 0.565 nan 8.230 nan 0.000 0.564 516 Y N -1.363 119.025 120.300 0.146 0.000 2.607 516 Y HA 0.618 5.168 4.550 -0.000 0.000 0.266 516 Y C 0.554 176.511 175.900 0.095 0.000 1.178 516 Y CA -2.386 55.786 58.100 0.120 0.000 1.226 516 Y CB -1.140 37.364 38.460 0.074 0.000 1.144 516 Y HN 0.151 nan 8.280 nan 0.000 0.528 517 I N 3.016 123.634 120.570 0.080 0.000 2.517 517 I HA 0.106 4.276 4.170 -0.000 0.000 0.285 517 I C 0.374 176.580 176.117 0.149 0.000 1.106 517 I CA 0.158 61.533 61.300 0.125 0.000 1.402 517 I CB -0.148 37.882 38.000 0.051 0.000 1.399 517 I HN 0.426 nan 8.210 nan 0.000 0.535 518 N N 5.591 124.360 118.700 0.116 0.000 2.698 518 N HA -0.236 4.504 4.740 -0.000 0.000 0.258 518 N C -0.322 175.237 175.510 0.083 0.000 0.978 518 N CA 0.561 53.646 53.050 0.058 0.000 0.777 518 N CB -0.866 37.658 38.487 0.061 0.000 0.907 518 N HN 0.592 nan 8.380 nan 0.000 0.543 519 L N 0.076 121.356 121.223 0.094 0.000 2.540 519 L HA 0.031 4.371 4.340 -0.000 0.000 0.276 519 L C 1.661 178.565 176.870 0.056 0.000 1.212 519 L CA 1.219 56.119 54.840 0.099 0.000 0.893 519 L CB 0.173 42.292 42.059 0.100 0.000 1.138 519 L HN 0.623 nan 8.230 nan 0.000 0.491 520 G N 2.498 111.335 108.800 0.063 0.000 2.148 520 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.254 520 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.254 520 G C 0.096 175.025 174.900 0.047 0.000 0.981 520 G CA 0.111 45.238 45.100 0.046 0.000 0.670 520 G HN 1.015 nan 8.290 nan 0.000 0.528 521 A N -0.720 122.140 122.820 0.068 0.000 2.354 521 A HA 0.910 5.230 4.320 -0.000 0.000 0.321 521 A C 0.189 177.859 177.584 0.143 0.000 1.125 521 A CA -0.179 51.908 52.037 0.084 0.000 0.799 521 A CB 1.134 20.159 19.000 0.042 0.000 1.293 521 A HN 0.764 nan 8.150 nan 0.000 0.452 522 R N 1.474 122.075 120.500 0.168 0.000 2.287 522 R HA 0.371 4.711 4.340 -0.000 0.000 0.316 522 R C -1.625 174.846 176.300 0.285 0.000 1.050 522 R CA -0.198 56.005 56.100 0.171 0.000 0.983 522 R CB 0.534 30.899 30.300 0.108 0.000 1.140 522 R HN 0.768 nan 8.270 nan 0.000 0.528 523 W N 4.197 125.507 121.300 0.016 0.000 3.259 523 W HA 0.223 4.883 4.660 -0.000 0.000 0.331 523 W C -1.279 175.236 176.519 -0.007 0.000 1.144 523 W CA -0.613 56.732 57.345 0.000 0.000 1.227 523 W CB 2.144 31.609 29.460 0.008 0.000 1.371 523 W HN 0.586 nan 8.180 nan 0.000 0.491 524 S N 4.836 120.266 115.700 -0.450 0.000 2.537 524 S HA 0.511 4.981 4.470 -0.000 0.000 0.275 524 S C -0.125 174.228 174.600 -0.411 0.000 1.272 524 S CA -0.671 57.315 58.200 -0.358 0.000 1.050 524 S CB 1.441 64.402 63.200 -0.399 0.000 0.961 524 S HN 0.429 nan 8.310 nan 0.000 0.496 525 L N 2.987 124.151 121.223 -0.100 0.000 2.499 525 L HA 0.061 4.401 4.340 -0.000 0.000 0.273 525 L C 1.089 177.920 176.870 -0.065 0.000 1.195 525 L CA -0.372 54.486 54.840 0.030 0.000 0.882 525 L CB 0.097 42.225 42.059 0.116 0.000 1.133 525 L HN 0.738 nan 8.230 nan 0.000 0.483 526 D N 1.884 122.256 120.400 -0.046 0.000 2.190 526 D HA -0.217 4.423 4.640 -0.000 0.000 0.200 526 D C 1.748 178.018 176.300 -0.049 0.000 0.992 526 D CA 1.699 55.640 54.000 -0.098 0.000 0.854 526 D CB 0.031 40.776 40.800 -0.092 0.000 0.936 526 D HN 0.509 nan 8.370 nan 0.000 0.462 527 Y N -0.177 120.152 120.300 0.049 0.000 2.293 527 Y HA -0.055 4.495 4.550 -0.000 0.000 0.291 527 Y C 2.251 178.164 175.900 0.022 0.000 1.137 527 Y CA 0.675 58.801 58.100 0.042 0.000 1.202 527 Y CB -0.195 38.292 38.460 0.045 0.000 0.990 527 Y HN -0.021 nan 8.280 nan 0.000 0.537 528 M N -0.818 118.866 119.600 0.140 0.000 2.509 528 M HA -0.022 4.458 4.480 -0.000 0.000 0.250 528 M C 1.011 177.304 176.300 -0.011 0.000 1.132 528 M CA 0.539 55.865 55.300 0.043 0.000 1.080 528 M CB -0.621 31.967 32.600 -0.020 0.000 1.408 528 M HN 0.137 nan 8.290 nan 0.000 0.484 529 D N 1.679 122.058 120.400 -0.036 0.000 2.133 529 D HA -0.148 4.492 4.640 -0.000 0.000 0.195 529 D C 1.077 177.478 176.300 0.168 0.000 0.997 529 D CA 1.232 55.182 54.000 -0.084 0.000 0.840 529 D CB -0.188 40.512 40.800 -0.166 0.000 0.947 529 D HN 0.305 nan 8.370 nan 0.000 0.452 530 N N -0.151 118.693 118.700 0.241 0.000 2.313 530 N HA 0.043 4.783 4.740 -0.000 0.000 0.207 530 N C -0.576 175.148 175.510 0.357 0.000 1.141 530 N CA 0.003 53.258 53.050 0.342 0.000 0.830 530 N CB 0.944 39.566 38.487 0.226 0.000 1.008 530 N HN -0.003 nan 8.380 nan 0.000 0.481 531 V N 1.546 121.580 119.914 0.201 0.000 2.439 531 V HA 0.136 4.256 4.120 -0.000 0.000 0.282 531 V C 0.578 176.555 176.094 -0.195 0.000 1.039 531 V CA -1.172 61.178 62.300 0.084 0.000 0.913 531 V CB 1.428 33.277 31.823 0.043 0.000 0.983 531 V HN 0.194 nan 8.190 nan 0.000 0.460 532 N N 7.821 126.297 118.700 -0.372 0.000 2.386 532 N HA 0.006 4.746 4.740 -0.000 0.000 0.273 532 N C -1.157 174.077 175.510 -0.461 0.000 1.331 532 N CA -1.046 51.471 53.050 -0.887 0.000 0.891 532 N CB 1.302 39.636 38.487 -0.255 0.000 1.139 532 N HN 0.406 nan 8.380 nan 0.000 0.487 533 P HA -0.063 nan 4.420 nan 0.000 0.229 533 P C 0.844 177.846 177.300 -0.498 0.000 1.160 533 P CA 0.910 63.627 63.100 -0.638 0.000 0.777 533 P CB 0.016 31.076 31.700 -1.067 0.000 0.814 534 F N 0.204 120.130 119.950 -0.039 0.000 2.512 534 F HA 0.073 4.600 4.527 -0.000 0.000 0.296 534 F C 1.192 177.043 175.800 0.085 0.000 1.110 534 F CA 0.289 58.338 58.000 0.082 0.000 1.446 534 F CB -0.991 38.075 39.000 0.109 0.000 1.092 534 F HN -0.154 nan 8.300 nan 0.000 0.554 535 N N 1.242 120.068 118.700 0.211 0.000 2.895 535 N HA -0.010 4.730 4.740 -0.000 0.000 0.277 535 N C -0.659 174.979 175.510 0.212 0.000 1.185 535 N CA 0.375 53.553 53.050 0.213 0.000 1.106 535 N CB -0.575 38.044 38.487 0.219 0.000 1.422 535 N HN 0.277 nan 8.380 nan 0.000 0.521 536 H N 0.589 119.687 119.070 0.048 0.000 3.012 536 H HA 0.063 4.619 4.556 -0.000 0.000 0.367 536 H C 0.829 176.200 175.328 0.072 0.000 1.211 536 H CA -0.392 55.581 56.048 -0.125 0.000 1.139 536 H CB 1.250 30.738 29.762 -0.455 0.000 1.838 536 H HN 0.450 nan 8.280 nan 0.000 0.550 537 H N 2.588 121.699 119.070 0.069 0.000 2.559 537 H HA 0.081 4.637 4.556 -0.000 0.000 0.273 537 H C 0.367 175.890 175.328 0.326 0.000 1.000 537 H CA 0.339 56.578 56.048 0.318 0.000 1.195 537 H CB 0.264 30.196 29.762 0.283 0.000 1.368 537 H HN 0.358 nan 8.280 nan 0.000 0.592 538 R N 1.088 121.614 120.500 0.044 0.000 2.466 538 R HA 0.076 4.416 4.340 -0.000 0.000 0.279 538 R C -0.006 176.291 176.300 -0.004 0.000 0.976 538 R CA -0.173 55.903 56.100 -0.039 0.000 1.081 538 R CB -0.066 30.125 30.300 -0.181 0.000 1.215 538 R HN 0.386 nan 8.270 nan 0.000 0.546 539 N N 0.703 119.436 118.700 0.054 0.000 2.415 539 N HA 0.061 4.801 4.740 -0.000 0.000 0.250 539 N C 1.027 176.557 175.510 0.033 0.000 1.127 539 N CA -0.242 52.850 53.050 0.070 0.000 0.945 539 N CB 1.034 39.605 38.487 0.140 0.000 1.196 539 N HN 0.083 nan 8.380 nan 0.000 0.499 540 A N 3.666 126.516 122.820 0.049 0.000 1.908 540 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 540 A C 2.028 179.660 177.584 0.079 0.000 1.181 540 A CA 1.862 53.949 52.037 0.082 0.000 0.627 540 A CB -1.089 17.993 19.000 0.137 0.000 0.818 540 A HN 0.783 nan 8.150 nan 0.000 0.445 541 G N -0.117 108.713 108.800 0.050 0.000 2.459 541 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.217 541 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.217 541 G C 1.494 176.348 174.900 -0.077 0.000 1.183 541 G CA 1.279 46.313 45.100 -0.109 0.000 0.776 541 G HN 0.584 nan 8.290 nan 0.000 0.552 542 L N 0.714 121.927 121.223 -0.016 0.000 2.046 542 L HA 0.077 4.417 4.340 -0.000 0.000 0.208 542 L C 2.675 179.498 176.870 -0.078 0.000 1.077 542 L CA 2.278 57.114 54.840 -0.008 0.000 0.747 542 L CB -0.762 41.329 42.059 0.054 0.000 0.896 542 L HN 0.260 nan 8.230 nan 0.000 0.432 543 R N -1.851 118.528 120.500 -0.202 0.000 2.091 543 R HA -0.269 4.071 4.340 -0.000 0.000 0.238 543 R C 2.421 178.621 176.300 -0.167 0.000 1.136 543 R CA 2.054 57.869 56.100 -0.474 0.000 0.959 543 R CB -0.662 29.329 30.300 -0.516 0.000 0.856 543 R HN 0.576 nan 8.270 nan 0.000 0.437 544 Y N 0.667 120.869 120.300 -0.163 0.000 2.163 544 Y HA -0.167 4.383 4.550 -0.000 0.000 0.288 544 Y C 2.137 177.980 175.900 -0.094 0.000 1.136 544 Y CA 1.763 59.799 58.100 -0.106 0.000 1.147 544 Y CB -0.017 38.333 38.460 -0.183 0.000 0.987 544 Y HN -0.038 nan 8.280 nan 0.000 0.509 545 R N -0.530 119.937 120.500 -0.056 0.000 2.148 545 R HA -0.132 4.208 4.340 -0.000 0.000 0.227 545 R C 2.746 179.007 176.300 -0.065 0.000 1.103 545 R CA 1.204 57.249 56.100 -0.091 0.000 0.983 545 R CB -0.436 29.845 30.300 -0.031 0.000 0.874 545 R HN 0.297 nan 8.270 nan 0.000 0.451 546 S N 0.165 115.856 115.700 -0.014 0.000 2.357 546 S HA -0.084 4.386 4.470 -0.000 0.000 0.221 546 S C 1.806 176.460 174.600 0.090 0.000 1.031 546 S CA 1.035 59.291 58.200 0.095 0.000 0.982 546 S CB 0.054 63.434 63.200 0.300 0.000 0.853 546 S HN 0.214 nan 8.310 nan 0.000 0.458 547 M N 0.496 120.110 119.600 0.024 0.000 2.492 547 M HA 0.072 4.552 4.480 -0.000 0.000 0.262 547 M C 1.734 177.981 176.300 -0.087 0.000 1.090 547 M CA 0.403 55.712 55.300 0.015 0.000 1.110 547 M CB -0.198 32.407 32.600 0.008 0.000 1.407 547 M HN 0.284 nan 8.290 nan 0.000 0.470 548 L N 0.394 121.493 121.223 -0.208 0.000 2.141 548 L HA -0.094 4.246 4.340 -0.000 0.000 0.209 548 L C 1.927 178.768 176.870 -0.048 0.000 1.094 548 L CA 1.733 56.441 54.840 -0.220 0.000 0.763 548 L CB -0.379 41.494 42.059 -0.310 0.000 0.908 548 L HN 0.284 nan 8.230 nan 0.000 0.437 549 L N -1.886 119.337 121.223 0.001 0.000 2.209 549 L HA 0.304 4.644 4.340 -0.000 0.000 0.207 549 L C 1.094 177.995 176.870 0.052 0.000 1.094 549 L CA 0.456 55.328 54.840 0.054 0.000 0.790 549 L CB -0.325 41.748 42.059 0.024 0.000 0.932 549 L HN 0.409 nan 8.230 nan 0.000 0.447 550 G N -0.057 108.776 108.800 0.056 0.000 2.346 550 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.294 550 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.294 550 G C -0.631 174.369 174.900 0.167 0.000 1.294 550 G CA -0.044 45.108 45.100 0.088 0.000 0.962 550 G HN 0.073 nan 8.290 nan 0.000 0.508 551 N N -0.047 118.765 118.700 0.187 0.000 2.187 551 N HA 0.339 5.079 4.740 -0.000 0.000 0.212 551 N C 0.716 176.430 175.510 0.339 0.000 1.152 551 N CA 0.762 53.974 53.050 0.270 0.000 0.872 551 N CB 1.150 39.733 38.487 0.159 0.000 1.025 551 N HN 1.069 nan 8.380 nan 0.000 0.514 552 G N 0.194 109.154 108.800 0.267 0.000 2.489 552 G HA2 0.326 4.286 3.960 -0.000 0.000 0.327 552 G HA3 0.326 4.286 3.960 -0.000 0.000 0.327 552 G C 0.420 175.372 174.900 0.087 0.000 1.189 552 G CA -0.789 44.437 45.100 0.210 0.000 0.962 552 G HN 0.138 nan 8.290 nan 0.000 0.486 553 R N -0.764 119.714 120.500 -0.037 0.000 2.075 553 R HA -0.008 4.332 4.340 -0.000 0.000 0.232 553 R C -0.252 175.780 176.300 -0.446 0.000 1.126 553 R CA 0.827 56.728 56.100 -0.332 0.000 0.963 553 R CB -0.240 29.740 30.300 -0.534 0.000 0.858 553 R HN 0.457 nan 8.270 nan 0.000 0.435 554 Y N 0.637 120.930 120.300 -0.012 0.000 2.383 554 Y HA 0.366 4.916 4.550 -0.000 0.000 0.344 554 Y C -0.590 175.310 175.900 -0.000 0.000 0.986 554 Y CA -0.775 57.318 58.100 -0.012 0.000 1.175 554 Y CB 1.730 40.193 38.460 0.005 0.000 1.152 554 Y HN -0.243 nan 8.280 nan 0.000 0.511 555 V N 6.123 126.123 119.914 0.143 0.000 2.524 555 V HA 0.383 4.503 4.120 -0.000 0.000 0.297 555 V C -2.495 173.710 176.094 0.184 0.000 1.035 555 V CA -2.016 60.365 62.300 0.134 0.000 0.867 555 V CB 2.266 34.140 31.823 0.085 0.000 1.004 555 V HN 0.544 nan 8.190 nan 0.000 0.426 556 P HA 0.369 nan 4.420 nan 0.000 0.292 556 P C -0.928 176.437 177.300 0.109 0.000 1.326 556 P CA -0.169 62.956 63.100 0.042 0.000 0.787 556 P CB 0.661 32.361 31.700 0.001 0.000 0.903 557 F N 1.198 121.225 119.950 0.127 0.000 2.483 557 F HA 0.650 5.177 4.527 -0.000 0.000 0.329 557 F C -0.376 175.532 175.800 0.181 0.000 1.064 557 F CA -1.165 56.942 58.000 0.177 0.000 0.986 557 F CB 1.427 40.602 39.000 0.292 0.000 1.218 557 F HN 0.403 nan 8.300 nan 0.000 0.484 558 H N 3.867 123.079 119.070 0.237 0.000 3.181 558 H HA 0.581 5.137 4.556 -0.000 0.000 0.331 558 H C -1.480 173.912 175.328 0.108 0.000 0.988 558 H CA -0.915 55.192 56.048 0.098 0.000 1.449 558 H CB 1.424 31.201 29.762 0.026 0.000 1.749 558 H HN 0.895 nan 8.280 nan 0.000 0.501 559 I N 0.953 121.644 120.570 0.200 0.000 3.145 559 I HA 0.534 4.704 4.170 -0.000 0.000 0.313 559 I C -1.555 174.477 176.117 -0.141 0.000 1.122 559 I CA -1.273 59.973 61.300 -0.090 0.000 0.987 559 I CB 2.679 40.462 38.000 -0.362 0.000 1.236 559 I HN 0.390 nan 8.210 nan 0.000 0.453 560 Q N 2.383 122.061 119.800 -0.204 0.000 2.333 560 Q HA 0.628 4.968 4.340 -0.000 0.000 0.268 560 Q C -1.219 174.837 176.000 0.093 0.000 1.007 560 Q CA -0.546 55.191 55.803 -0.110 0.000 0.810 560 Q CB 2.538 30.945 28.738 -0.552 0.000 1.264 560 Q HN 0.548 nan 8.270 nan 0.000 0.452 561 V N 4.856 124.876 119.914 0.176 0.000 2.417 561 V HA 0.576 4.696 4.120 -0.000 0.000 0.291 561 V C -2.138 174.075 176.094 0.198 0.000 1.024 561 V CA -1.830 60.575 62.300 0.176 0.000 0.861 561 V CB 1.558 33.432 31.823 0.084 0.000 0.985 561 V HN 0.710 nan 8.190 nan 0.000 0.436 562 P HA 0.269 nan 4.420 nan 0.000 0.279 562 P C -1.250 175.891 177.300 -0.265 0.000 1.252 562 P CA -0.617 62.251 63.100 -0.387 0.000 0.811 562 P CB 1.328 32.451 31.700 -0.961 0.000 1.035 563 Q N 1.372 121.001 119.800 -0.285 0.000 2.274 563 Q HA 0.187 4.527 4.340 -0.000 0.000 0.256 563 Q C 0.316 176.174 176.000 -0.235 0.000 0.927 563 Q CA 0.453 56.118 55.803 -0.229 0.000 0.939 563 Q CB 0.870 29.475 28.738 -0.221 0.000 1.201 563 Q HN 0.296 nan 8.270 nan 0.000 0.426 564 K N 3.410 123.704 120.400 -0.176 0.000 2.380 564 K HA 0.152 4.472 4.320 -0.000 0.000 0.198 564 K C -0.330 176.194 176.600 -0.127 0.000 1.070 564 K CA -0.268 55.817 56.287 -0.336 0.000 1.040 564 K CB 0.421 32.509 32.500 -0.687 0.000 0.903 564 K HN 0.477 nan 8.250 nan 0.000 0.549 565 F N 2.837 122.713 119.950 -0.123 0.000 2.590 565 F HA -0.077 4.450 4.527 -0.000 0.000 0.389 565 F C 1.109 176.897 175.800 -0.021 0.000 1.049 565 F CA -1.130 56.882 58.000 0.021 0.000 1.199 565 F CB 0.201 39.345 39.000 0.240 0.000 1.058 565 F HN 0.057 nan 8.300 nan 0.000 0.556 566 F N 4.290 123.917 119.950 -0.538 0.000 2.161 566 F HA -0.113 4.414 4.527 -0.000 0.000 0.300 566 F C 1.766 177.322 175.800 -0.407 0.000 1.089 566 F CA 1.328 59.098 58.000 -0.383 0.000 1.282 566 F CB -1.210 37.623 39.000 -0.279 0.000 1.010 566 F HN 0.391 nan 8.300 nan 0.000 0.485 567 A N 1.203 123.077 122.820 -1.576 0.000 2.067 567 A HA 0.036 4.356 4.320 -0.000 0.000 0.219 567 A C 2.104 179.383 177.584 -0.508 0.000 1.158 567 A CA 1.636 53.108 52.037 -0.941 0.000 0.661 567 A CB -1.115 17.459 19.000 -0.710 0.000 0.801 567 A HN 0.795 nan 8.150 nan 0.000 0.452 568 I N -4.735 115.624 120.570 -0.352 0.000 4.526 568 I HA 0.216 4.386 4.170 -0.000 0.000 0.330 568 I C 1.622 177.540 176.117 -0.331 0.000 1.323 568 I CA 0.548 61.671 61.300 -0.294 0.000 1.218 568 I CB 0.000 37.956 38.000 -0.073 0.000 1.233 568 I HN 0.141 nan 8.210 nan 0.000 0.430 569 K N 1.977 122.198 120.400 -0.299 0.000 2.152 569 K HA -0.081 4.239 4.320 -0.000 0.000 0.206 569 K C 0.560 177.019 176.600 -0.235 0.000 1.048 569 K CA 1.925 58.079 56.287 -0.223 0.000 0.933 569 K CB -0.177 32.244 32.500 -0.131 0.000 0.721 569 K HN 0.410 nan 8.250 nan 0.000 0.447 570 N N 0.813 119.292 118.700 -0.369 0.000 2.238 570 N HA 0.071 4.811 4.740 -0.000 0.000 0.235 570 N C -0.630 174.748 175.510 -0.219 0.000 1.209 570 N CA -0.315 52.605 53.050 -0.217 0.000 0.879 570 N CB 0.573 39.031 38.487 -0.048 0.000 1.136 570 N HN 0.115 nan 8.380 nan 0.000 0.517 571 L N 1.618 122.608 121.223 -0.388 0.000 2.453 571 L HA 0.202 4.542 4.340 -0.000 0.000 0.272 571 L C -0.204 176.621 176.870 -0.076 0.000 1.182 571 L CA -0.223 54.504 54.840 -0.188 0.000 0.858 571 L CB 0.513 42.412 42.059 -0.266 0.000 1.120 571 L HN -0.022 nan 8.230 nan 0.000 0.474 572 L N 5.872 127.110 121.223 0.025 0.000 2.259 572 L HA 0.423 4.763 4.340 -0.000 0.000 0.288 572 L C -0.840 176.002 176.870 -0.046 0.000 1.051 572 L CA 0.085 54.916 54.840 -0.013 0.000 0.824 572 L CB 0.614 42.689 42.059 0.026 0.000 1.206 572 L HN 0.592 nan 8.230 nan 0.000 0.429 573 L N 5.718 126.874 121.223 -0.111 0.000 2.290 573 L HA 0.391 4.731 4.340 -0.000 0.000 0.284 573 L C -0.058 176.798 176.870 -0.024 0.000 1.078 573 L CA 0.224 54.968 54.840 -0.161 0.000 0.815 573 L CB 1.002 42.854 42.059 -0.345 0.000 1.162 573 L HN 0.557 nan 8.230 nan 0.000 0.435 574 L N 4.537 125.785 121.223 0.041 0.000 2.469 574 L HA 0.452 4.792 4.340 -0.000 0.000 0.253 574 L C -2.007 175.000 176.870 0.227 0.000 1.143 574 L CA -2.105 52.807 54.840 0.119 0.000 0.804 574 L CB 0.101 42.215 42.059 0.092 0.000 1.214 574 L HN 0.367 nan 8.230 nan 0.000 0.476 575 P HA 0.154 nan 4.420 nan 0.000 0.265 575 P C -0.171 177.216 177.300 0.146 0.000 1.187 575 P CA 0.479 63.677 63.100 0.163 0.000 0.766 575 P CB 0.516 32.268 31.700 0.086 0.000 0.820 576 G N 0.632 109.473 108.800 0.069 0.000 2.368 576 G HA2 0.242 4.202 3.960 -0.000 0.000 0.302 576 G HA3 0.242 4.202 3.960 -0.000 0.000 0.302 576 G C -1.453 173.236 174.900 -0.353 0.000 1.329 576 G CA -0.606 44.375 45.100 -0.198 0.000 0.935 576 G HN 0.340 nan 8.290 nan 0.000 0.590 577 S N -0.227 115.150 115.700 -0.540 0.000 2.454 577 S HA 0.804 5.274 4.470 -0.000 0.000 0.306 577 S C -1.301 172.942 174.600 -0.594 0.000 1.100 577 S CA -0.346 57.636 58.200 -0.364 0.000 1.087 577 S CB 0.832 63.941 63.200 -0.152 0.000 1.019 577 S HN 0.491 nan 8.310 nan 0.000 0.480 578 Y N 0.342 120.647 120.300 0.007 0.000 2.499 578 Y HA 0.500 5.050 4.550 -0.000 0.000 0.347 578 Y C 0.632 176.565 175.900 0.056 0.000 0.987 578 Y CA -0.999 57.113 58.100 0.019 0.000 1.044 578 Y CB 1.458 39.910 38.460 -0.013 0.000 1.245 578 Y HN 0.441 nan 8.280 nan 0.000 0.461 579 T N 2.648 117.344 114.554 0.236 0.000 2.743 579 T HA 0.295 4.645 4.350 -0.000 0.000 0.293 579 T C -1.510 173.396 174.700 0.344 0.000 0.945 579 T CA -0.199 62.036 62.100 0.225 0.000 1.030 579 T CB -0.296 68.660 68.868 0.147 0.000 0.912 579 T HN 0.634 nan 8.240 nan 0.000 0.483 580 Y N 4.440 124.876 120.300 0.226 0.000 2.328 580 Y HA 0.499 5.049 4.550 -0.000 0.000 0.333 580 Y C -0.201 175.949 175.900 0.416 0.000 0.958 580 Y CA -0.898 57.382 58.100 0.301 0.000 1.167 580 Y CB 0.805 39.414 38.460 0.249 0.000 1.151 580 Y HN 0.689 nan 8.280 nan 0.000 0.470 581 E N 6.692 127.115 120.200 0.372 0.000 2.293 581 E HA 0.251 4.601 4.350 -0.000 0.000 0.270 581 E C -1.990 174.687 176.600 0.128 0.000 0.879 581 E CA -0.607 55.903 56.400 0.182 0.000 0.756 581 E CB 1.855 31.589 29.700 0.057 0.000 1.208 581 E HN 0.724 nan 8.360 nan 0.000 0.428 582 W N 2.661 123.858 121.300 -0.172 0.000 3.118 582 W HA 0.399 5.059 4.660 -0.000 0.000 0.328 582 W C -1.198 175.121 176.519 -0.333 0.000 1.239 582 W CA -0.621 56.522 57.345 -0.337 0.000 1.176 582 W CB 2.210 31.323 29.460 -0.579 0.000 1.433 582 W HN 0.525 nan 8.180 nan 0.000 0.562 583 N N 2.038 120.496 118.700 -0.403 0.000 2.361 583 N HA 0.503 5.243 4.740 -0.000 0.000 0.302 583 N C -1.537 173.915 175.510 -0.098 0.000 1.074 583 N CA -0.246 52.729 53.050 -0.126 0.000 0.850 583 N CB 1.784 40.133 38.487 -0.230 0.000 1.228 583 N HN 0.041 nan 8.380 nan 0.000 0.491 584 F N 0.509 120.642 119.950 0.305 0.000 2.532 584 F HA 0.471 4.998 4.527 -0.000 0.000 0.321 584 F C 0.986 177.003 175.800 0.361 0.000 1.089 584 F CA -0.873 57.257 58.000 0.216 0.000 0.926 584 F CB 1.457 40.423 39.000 -0.058 0.000 1.168 584 F HN 0.037 nan 8.300 nan 0.000 0.459 585 R N 1.604 122.292 120.500 0.313 0.000 2.531 585 R HA 0.366 4.706 4.340 -0.000 0.000 0.273 585 R C 0.358 176.935 176.300 0.461 0.000 1.070 585 R CA -0.500 55.762 56.100 0.271 0.000 1.112 585 R CB 1.150 31.416 30.300 -0.056 0.000 1.049 585 R HN 0.701 nan 8.270 nan 0.000 0.508 586 K N 0.434 121.072 120.400 0.397 0.000 2.402 586 K HA 0.019 4.339 4.320 -0.000 0.000 0.203 586 K C -0.334 176.390 176.600 0.206 0.000 1.077 586 K CA -0.105 56.342 56.287 0.267 0.000 1.051 586 K CB 0.511 33.145 32.500 0.223 0.000 0.907 586 K HN 0.475 nan 8.250 nan 0.000 0.554 587 D N 2.097 122.662 120.400 0.274 0.000 2.363 587 D HA -0.044 4.596 4.640 -0.000 0.000 0.263 587 D C 1.375 177.776 176.300 0.168 0.000 1.258 587 D CA -0.080 54.083 54.000 0.272 0.000 0.907 587 D CB 1.221 42.206 40.800 0.308 0.000 1.107 587 D HN -0.046 nan 8.370 nan 0.000 0.495 588 V N 2.302 122.286 119.914 0.117 0.000 2.568 588 V HA -0.211 3.909 4.120 -0.000 0.000 0.253 588 V C 1.586 177.710 176.094 0.050 0.000 1.072 588 V CA 1.355 63.683 62.300 0.048 0.000 1.084 588 V CB -0.601 31.219 31.823 -0.005 0.000 0.676 588 V HN 0.395 nan 8.190 nan 0.000 0.469 589 N N -0.296 118.459 118.700 0.093 0.000 2.459 589 N HA 0.062 4.802 4.740 -0.000 0.000 0.181 589 N C 1.527 177.172 175.510 0.224 0.000 1.046 589 N CA 1.302 54.414 53.050 0.104 0.000 0.904 589 N CB -0.036 38.512 38.487 0.102 0.000 0.964 589 N HN 0.458 nan 8.380 nan 0.000 0.444 590 M N -0.625 119.089 119.600 0.189 0.000 2.718 590 M HA 0.096 4.576 4.480 -0.000 0.000 0.259 590 M C 2.054 178.442 176.300 0.146 0.000 1.240 590 M CA 0.644 56.039 55.300 0.159 0.000 1.210 590 M CB -0.812 31.835 32.600 0.079 0.000 1.281 590 M HN 0.005 nan 8.290 nan 0.000 0.515 591 V N -1.492 118.516 119.914 0.158 0.000 2.951 591 V HA 0.159 4.279 4.120 -0.000 0.000 0.255 591 V C 1.048 177.254 176.094 0.187 0.000 1.088 591 V CA 0.456 62.895 62.300 0.231 0.000 1.109 591 V CB -0.500 31.508 31.823 0.308 0.000 0.724 591 V HN 0.188 nan 8.190 nan 0.000 0.471 592 L N 0.853 122.101 121.223 0.043 0.000 2.334 592 L HA 0.641 4.981 4.340 -0.000 0.000 0.270 592 L C -0.376 176.472 176.870 -0.037 0.000 1.018 592 L CA -0.394 54.398 54.840 -0.080 0.000 0.811 592 L CB 1.776 43.726 42.059 -0.182 0.000 1.271 592 L HN 0.267 nan 8.230 nan 0.000 0.443 593 Q N 1.063 120.829 119.800 -0.057 0.000 2.331 593 Q HA 0.525 4.865 4.340 -0.000 0.000 0.272 593 Q C -1.475 174.510 176.000 -0.026 0.000 1.062 593 Q CA -0.538 55.244 55.803 -0.034 0.000 0.806 593 Q CB 2.586 31.332 28.738 0.013 0.000 1.312 593 Q HN 0.771 nan 8.270 nan 0.000 0.431 594 S N 0.597 116.276 115.700 -0.035 0.000 2.600 594 S HA 0.404 4.874 4.470 -0.000 0.000 0.300 594 S C 0.565 175.205 174.600 0.067 0.000 1.087 594 S CA -0.079 58.134 58.200 0.021 0.000 0.965 594 S CB 1.701 64.888 63.200 -0.021 0.000 1.089 594 S HN 0.719 nan 8.310 nan 0.000 0.496 595 S N 0.965 116.755 115.700 0.151 0.000 2.436 595 S HA 0.011 4.481 4.470 -0.000 0.000 0.228 595 S C 1.360 176.070 174.600 0.183 0.000 1.014 595 S CA 0.246 58.569 58.200 0.205 0.000 0.950 595 S CB -0.541 62.853 63.200 0.323 0.000 0.784 595 S HN 0.495 nan 8.310 nan 0.000 0.504 596 L N 1.515 122.811 121.223 0.122 0.000 2.375 596 L HA 0.390 4.730 4.340 -0.000 0.000 0.215 596 L C 1.936 178.842 176.870 0.060 0.000 1.108 596 L CA 1.162 56.057 54.840 0.093 0.000 0.830 596 L CB -1.281 40.819 42.059 0.068 0.000 0.959 596 L HN 0.591 nan 8.230 nan 0.000 0.457 597 G N 0.130 108.920 108.800 -0.017 0.000 2.143 597 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.248 597 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.248 597 G C 0.390 175.213 174.900 -0.128 0.000 0.991 597 G CA 0.461 45.457 45.100 -0.174 0.000 0.689 597 G HN 0.553 nan 8.290 nan 0.000 0.522 598 N N 0.506 119.181 118.700 -0.040 0.000 2.371 598 N HA 0.240 4.980 4.740 -0.000 0.000 0.243 598 N C -0.383 175.090 175.510 -0.061 0.000 1.287 598 N CA -0.051 52.993 53.050 -0.009 0.000 0.911 598 N CB 0.607 39.130 38.487 0.060 0.000 1.142 598 N HN 0.115 nan 8.380 nan 0.000 0.451 599 D N 0.577 120.953 120.400 -0.039 0.000 2.348 599 D HA 0.070 4.710 4.640 -0.000 0.000 0.259 599 D C 1.035 177.311 176.300 -0.040 0.000 1.296 599 D CA -0.207 53.759 54.000 -0.056 0.000 0.931 599 D CB 0.024 40.804 40.800 -0.034 0.000 1.067 599 D HN 0.481 nan 8.370 nan 0.000 0.503 600 L N 3.733 124.922 121.223 -0.057 0.000 2.362 600 L HA -0.065 4.275 4.340 -0.000 0.000 0.219 600 L C 2.403 179.261 176.870 -0.019 0.000 1.134 600 L CA 0.447 55.260 54.840 -0.046 0.000 0.807 600 L CB -0.113 41.908 42.059 -0.065 0.000 0.927 600 L HN 0.303 nan 8.230 nan 0.000 0.447 601 R N -0.619 119.882 120.500 0.002 0.000 2.090 601 R HA -0.056 4.284 4.340 -0.000 0.000 0.228 601 R C 2.176 178.491 176.300 0.025 0.000 1.110 601 R CA 0.970 57.091 56.100 0.034 0.000 0.973 601 R CB -0.445 29.896 30.300 0.068 0.000 0.869 601 R HN 0.203 nan 8.270 nan 0.000 0.440 602 V N 1.556 121.479 119.914 0.014 0.000 2.535 602 V HA -0.108 4.012 4.120 -0.000 0.000 0.246 602 V C 0.804 176.903 176.094 0.008 0.000 1.045 602 V CA 1.458 63.767 62.300 0.014 0.000 1.058 602 V CB -0.195 31.635 31.823 0.011 0.000 0.689 602 V HN 0.165 nan 8.190 nan 0.000 0.461 603 D N 0.515 120.914 120.400 -0.002 0.000 2.519 603 D HA 0.229 4.869 4.640 -0.000 0.000 0.238 603 D C 1.614 177.896 176.300 -0.029 0.000 1.192 603 D CA 0.874 54.867 54.000 -0.011 0.000 0.835 603 D CB -0.085 40.707 40.800 -0.014 0.000 0.975 603 D HN 0.457 nan 8.370 nan 0.000 0.490 604 G N 0.613 109.403 108.800 -0.016 0.000 2.166 604 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.260 604 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.260 604 G C 0.643 175.523 174.900 -0.033 0.000 0.986 604 G CA 0.305 45.395 45.100 -0.017 0.000 0.683 604 G HN 0.616 nan 8.290 nan 0.000 0.527 605 A N -0.547 122.244 122.820 -0.048 0.000 2.462 605 A HA 0.744 5.064 4.320 -0.000 0.000 0.243 605 A C 0.656 178.211 177.584 -0.048 0.000 1.076 605 A CA 1.099 53.092 52.037 -0.073 0.000 0.773 605 A CB 0.905 19.849 19.000 -0.093 0.000 1.010 605 A HN 1.645 nan 8.150 nan 0.000 0.493 606 S N 0.930 116.597 115.700 -0.055 0.000 2.546 606 S HA 0.721 5.191 4.470 -0.000 0.000 0.274 606 S C -1.144 173.427 174.600 -0.049 0.000 1.121 606 S CA -0.519 57.660 58.200 -0.034 0.000 0.887 606 S CB 0.917 64.114 63.200 -0.005 0.000 1.094 606 S HN 1.005 nan 8.310 nan 0.000 0.474 607 I N 2.802 123.331 120.570 -0.068 0.000 2.722 607 I HA 0.589 4.759 4.170 -0.000 0.000 0.295 607 I C -1.617 174.381 176.117 -0.197 0.000 1.161 607 I CA -0.516 60.725 61.300 -0.099 0.000 1.032 607 I CB 1.792 39.695 38.000 -0.162 0.000 1.244 607 I HN 0.586 nan 8.210 nan 0.000 0.421 608 K N 6.806 127.103 120.400 -0.172 0.000 2.468 608 K HA 0.461 4.781 4.320 -0.000 0.000 0.252 608 K C -1.897 174.560 176.600 -0.239 0.000 0.932 608 K CA -0.532 55.618 56.287 -0.229 0.000 0.794 608 K CB 1.824 34.270 32.500 -0.090 0.000 1.241 608 K HN 0.502 nan 8.250 nan 0.000 0.428 609 F N 3.246 123.136 119.950 -0.101 0.000 2.371 609 F HA 0.135 4.662 4.527 -0.000 0.000 0.363 609 F C 1.118 176.743 175.800 -0.291 0.000 1.122 609 F CA -0.688 57.134 58.000 -0.296 0.000 1.129 609 F CB 1.201 39.762 39.000 -0.732 0.000 1.173 609 F HN 0.562 nan 8.300 nan 0.000 0.489 610 D N 0.873 121.238 120.400 -0.058 0.000 2.149 610 D HA -0.037 4.603 4.640 -0.000 0.000 0.206 610 D C 0.697 176.977 176.300 -0.034 0.000 0.967 610 D CA 1.152 55.118 54.000 -0.057 0.000 0.848 610 D CB 0.234 40.973 40.800 -0.101 0.000 0.998 610 D HN 0.417 nan 8.370 nan 0.000 0.474 611 S N -0.773 114.882 115.700 -0.074 0.000 2.537 611 S HA 0.595 5.065 4.470 -0.000 0.000 0.270 611 S C -1.081 173.488 174.600 -0.050 0.000 1.142 611 S CA -1.013 57.170 58.200 -0.028 0.000 0.870 611 S CB 1.896 65.086 63.200 -0.015 0.000 1.112 611 S HN 0.114 nan 8.310 nan 0.000 0.466 612 I N 1.833 122.420 120.570 0.029 0.000 2.534 612 I HA 0.700 4.870 4.170 -0.000 0.000 0.288 612 I C -1.312 174.985 176.117 0.299 0.000 1.077 612 I CA -0.366 60.974 61.300 0.066 0.000 1.051 612 I CB 1.127 39.072 38.000 -0.093 0.000 1.234 612 I HN 0.966 nan 8.210 nan 0.000 0.425 613 C N 5.950 125.440 119.300 0.317 0.000 2.771 613 C HA 0.709 5.169 4.460 -0.000 0.000 0.333 613 C C -0.667 174.428 174.990 0.175 0.000 1.267 613 C CA -0.641 58.573 59.018 0.328 0.000 1.721 613 C CB 1.765 29.620 27.740 0.193 0.000 2.222 613 C HN 0.668 nan 8.230 nan 0.000 0.485 614 L N 1.642 122.800 121.223 -0.109 0.000 2.333 614 L HA 0.621 4.961 4.340 -0.000 0.000 0.280 614 L C -1.474 175.286 176.870 -0.184 0.000 1.004 614 L CA -0.039 54.632 54.840 -0.282 0.000 0.820 614 L CB 0.451 42.076 42.059 -0.722 0.000 1.247 614 L HN 0.664 nan 8.230 nan 0.000 0.416 615 Y N 3.576 123.690 120.300 -0.311 0.000 2.446 615 Y HA 0.829 5.379 4.550 -0.000 0.000 0.338 615 Y C 0.134 175.851 175.900 -0.305 0.000 1.055 615 Y CA -0.328 57.563 58.100 -0.348 0.000 1.101 615 Y CB 2.297 40.336 38.460 -0.701 0.000 1.221 615 Y HN 0.776 nan 8.280 nan 0.000 0.460 616 A N 1.586 124.454 122.820 0.080 0.000 2.459 616 A HA 0.732 5.052 4.320 -0.000 0.000 0.296 616 A C -1.134 176.510 177.584 0.100 0.000 1.039 616 A CA -0.694 51.358 52.037 0.025 0.000 0.698 616 A CB 1.113 20.180 19.000 0.112 0.000 1.261 616 A HN 0.586 nan 8.150 nan 0.000 0.405 617 T N 2.071 116.611 114.554 -0.023 0.000 2.823 617 T HA 0.676 5.026 4.350 -0.000 0.000 0.279 617 T C -1.056 173.649 174.700 0.009 0.000 0.998 617 T CA 0.082 62.257 62.100 0.125 0.000 0.994 617 T CB 0.325 69.275 68.868 0.138 0.000 0.960 617 T HN 0.330 nan 8.240 nan 0.000 0.448 618 F N 1.936 121.956 119.950 0.117 0.000 2.482 618 F HA 0.507 5.034 4.527 -0.000 0.000 0.331 618 F C 0.042 175.938 175.800 0.160 0.000 1.115 618 F CA -1.852 56.234 58.000 0.143 0.000 0.955 618 F CB 0.908 39.986 39.000 0.129 0.000 1.136 618 F HN 0.531 nan 8.300 nan 0.000 0.452 619 F N 6.328 126.409 119.950 0.217 0.000 2.578 619 F HA 0.242 4.769 4.527 -0.000 0.000 0.376 619 F C -1.601 174.303 175.800 0.173 0.000 1.085 619 F CA -1.878 56.213 58.000 0.151 0.000 1.260 619 F CB 0.703 39.768 39.000 0.109 0.000 1.095 619 F HN 0.242 nan 8.300 nan 0.000 0.573 620 P HA 0.004 nan 4.420 nan 0.000 0.225 620 P C -0.266 177.039 177.300 0.010 0.000 1.768 620 P CA 0.005 63.054 63.100 -0.084 0.000 0.943 620 P CB -0.126 31.466 31.700 -0.180 0.000 1.936 621 M N 1.513 121.324 119.600 0.351 0.000 2.249 621 M HA 0.246 4.726 4.480 -0.000 0.000 0.340 621 M C 0.307 176.767 176.300 0.267 0.000 1.166 621 M CA -0.117 55.457 55.300 0.457 0.000 1.115 621 M CB 0.642 33.527 32.600 0.475 0.000 1.606 621 M HN 0.162 nan 8.290 nan 0.000 0.448 622 A N 3.685 126.624 122.820 0.199 0.000 2.540 622 A HA -0.000 4.320 4.320 -0.000 0.000 0.239 622 A C 0.535 178.245 177.584 0.210 0.000 1.061 622 A CA -0.141 51.959 52.037 0.106 0.000 0.758 622 A CB -0.068 18.989 19.000 0.095 0.000 0.991 622 A HN 1.013 nan 8.150 nan 0.000 0.502 623 H N 2.310 121.426 119.070 0.077 0.000 2.422 623 H HA -0.153 4.403 4.556 -0.000 0.000 0.298 623 H C 2.031 177.396 175.328 0.062 0.000 1.098 623 H CA 2.021 58.109 56.048 0.066 0.000 1.315 623 H CB -0.108 29.684 29.762 0.050 0.000 1.382 623 H HN 0.894 nan 8.280 nan 0.000 0.523 624 N N 0.253 119.063 118.700 0.184 0.000 2.188 624 N HA -0.100 4.640 4.740 -0.000 0.000 0.184 624 N C 1.520 177.093 175.510 0.105 0.000 1.018 624 N CA 1.596 54.719 53.050 0.122 0.000 0.858 624 N CB -0.785 37.761 38.487 0.098 0.000 0.989 624 N HN 0.203 nan 8.380 nan 0.000 0.426 625 T N 1.213 115.834 114.554 0.113 0.000 2.737 625 T HA 0.098 4.448 4.350 -0.000 0.000 0.265 625 T C 2.202 176.957 174.700 0.092 0.000 1.038 625 T CA 1.577 63.733 62.100 0.093 0.000 1.144 625 T CB -0.487 68.438 68.868 0.095 0.000 0.866 625 T HN 0.487 nan 8.240 nan 0.000 0.434 626 A N 1.314 124.210 122.820 0.127 0.000 1.908 626 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 626 A C 2.574 180.206 177.584 0.080 0.000 1.181 626 A CA 2.197 54.303 52.037 0.117 0.000 0.627 626 A CB -1.155 17.941 19.000 0.159 0.000 0.818 626 A HN 0.457 nan 8.150 nan 0.000 0.445 627 S N -1.136 114.611 115.700 0.078 0.000 2.370 627 S HA -0.156 4.314 4.470 -0.000 0.000 0.226 627 S C 2.043 176.670 174.600 0.045 0.000 1.033 627 S CA 2.307 60.539 58.200 0.053 0.000 1.011 627 S CB -0.607 62.626 63.200 0.054 0.000 0.852 627 S HN 0.608 nan 8.310 nan 0.000 0.457 628 T N 2.359 116.943 114.554 0.049 0.000 2.812 628 T HA 0.011 4.361 4.350 -0.000 0.000 0.264 628 T C 1.682 176.400 174.700 0.030 0.000 1.042 628 T CA 1.289 63.412 62.100 0.038 0.000 1.140 628 T CB -0.448 68.445 68.868 0.040 0.000 0.870 628 T HN 0.354 nan 8.240 nan 0.000 0.445 629 L N 1.635 122.878 121.223 0.033 0.000 2.083 629 L HA -0.025 4.315 4.340 -0.000 0.000 0.209 629 L C 2.418 179.302 176.870 0.023 0.000 1.083 629 L CA 1.921 56.775 54.840 0.024 0.000 0.752 629 L CB -0.611 41.462 42.059 0.023 0.000 0.899 629 L HN 0.320 nan 8.230 nan 0.000 0.433 630 E N -0.368 119.850 120.200 0.030 0.000 2.077 630 E HA -0.243 4.107 4.350 -0.000 0.000 0.193 630 E C 2.074 178.680 176.600 0.011 0.000 0.989 630 E CA 1.223 57.639 56.400 0.026 0.000 0.800 630 E CB -0.241 29.480 29.700 0.034 0.000 0.746 630 E HN 0.587 nan 8.360 nan 0.000 0.452 631 A N 1.911 124.738 122.820 0.012 0.000 1.908 631 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 631 A C 2.356 179.940 177.584 -0.001 0.000 1.181 631 A CA 2.252 54.291 52.037 0.003 0.000 0.627 631 A CB -0.797 18.210 19.000 0.011 0.000 0.818 631 A HN 0.575 nan 8.150 nan 0.000 0.445 632 M N -1.084 118.520 119.600 0.006 0.000 2.132 632 M HA 0.018 4.498 4.480 -0.000 0.000 0.263 632 M C 1.725 178.027 176.300 0.003 0.000 1.065 632 M CA 1.686 56.989 55.300 0.005 0.000 1.122 632 M CB -0.721 31.883 32.600 0.006 0.000 1.365 632 M HN 0.197 nan 8.290 nan 0.000 0.411 633 L N 0.011 121.236 121.223 0.003 0.000 2.551 633 L HA 0.023 4.363 4.340 -0.000 0.000 0.228 633 L C 2.414 179.282 176.870 -0.003 0.000 1.153 633 L CA 0.494 55.337 54.840 0.005 0.000 0.851 633 L CB -0.506 41.558 42.059 0.008 0.000 0.959 633 L HN 0.367 nan 8.230 nan 0.000 0.451 634 R N -0.592 119.895 120.500 -0.022 0.000 2.297 634 R HA 0.080 4.420 4.340 -0.000 0.000 0.197 634 R C 0.166 176.446 176.300 -0.033 0.000 0.943 634 R CA -0.110 55.949 56.100 -0.068 0.000 1.038 634 R CB 0.080 30.317 30.300 -0.106 0.000 0.957 634 R HN 0.305 nan 8.270 nan 0.000 0.484 635 N N 1.782 120.493 118.700 0.019 0.000 2.514 635 N HA -0.049 4.691 4.740 -0.000 0.000 0.277 635 N C 0.519 176.100 175.510 0.118 0.000 1.126 635 N CA 0.122 53.209 53.050 0.061 0.000 0.978 635 N CB 1.129 39.633 38.487 0.029 0.000 1.106 635 N HN 0.169 nan 8.380 nan 0.000 0.461 636 D N 0.954 121.449 120.400 0.158 0.000 2.221 636 D HA -0.147 4.493 4.640 -0.000 0.000 0.204 636 D C 0.772 177.076 176.300 0.007 0.000 0.982 636 D CA 1.314 55.350 54.000 0.061 0.000 0.857 636 D CB -0.361 40.335 40.800 -0.174 0.000 0.934 636 D HN 0.434 nan 8.370 nan 0.000 0.475 637 T N 0.596 115.154 114.554 0.006 0.000 2.833 637 T HA -0.111 4.239 4.350 -0.000 0.000 0.269 637 T C 1.183 175.878 174.700 -0.008 0.000 1.054 637 T CA 0.967 63.062 62.100 -0.009 0.000 1.135 637 T CB -0.176 68.689 68.868 -0.006 0.000 0.869 637 T HN 0.167 nan 8.240 nan 0.000 0.466 638 N N 1.484 120.189 118.700 0.009 0.000 2.320 638 N HA 0.136 4.876 4.740 -0.000 0.000 0.237 638 N C -0.790 174.725 175.510 0.008 0.000 1.129 638 N CA -0.101 52.949 53.050 0.000 0.000 0.854 638 N CB 0.173 38.661 38.487 0.002 0.000 1.083 638 N HN 0.373 nan 8.380 nan 0.000 0.504 639 D N 1.328 121.740 120.400 0.019 0.000 2.423 639 D HA 0.040 4.680 4.640 -0.000 0.000 0.238 639 D C 0.761 177.037 176.300 -0.039 0.000 1.142 639 D CA 0.547 54.567 54.000 0.033 0.000 0.884 639 D CB 1.159 41.981 40.800 0.036 0.000 1.199 639 D HN 0.128 nan 8.370 nan 0.000 0.438 640 Q N 0.146 119.919 119.800 -0.044 0.000 2.312 640 Q HA 0.516 4.856 4.340 -0.000 0.000 0.236 640 Q C -0.342 175.483 176.000 -0.292 0.000 0.965 640 Q CA -0.465 55.227 55.803 -0.184 0.000 0.894 640 Q CB 1.236 29.932 28.738 -0.070 0.000 1.225 640 Q HN 0.512 nan 8.270 nan 0.000 0.478 641 S N 0.383 115.683 115.700 -0.668 0.000 2.533 641 S HA 0.758 5.228 4.470 -0.000 0.000 0.271 641 S C -1.374 172.722 174.600 -0.841 0.000 1.143 641 S CA -0.849 57.049 58.200 -0.503 0.000 0.891 641 S CB 0.786 63.850 63.200 -0.228 0.000 1.105 641 S HN 0.410 nan 8.310 nan 0.000 0.468 642 F N 1.415 121.405 119.950 0.066 0.000 2.613 642 F HA 0.660 5.187 4.527 -0.000 0.000 0.314 642 F C -0.146 175.782 175.800 0.214 0.000 1.075 642 F CA -0.778 57.302 58.000 0.132 0.000 0.945 642 F CB 1.908 40.998 39.000 0.151 0.000 1.310 642 F HN 0.830 nan 8.300 nan 0.000 0.467 643 N N -0.145 118.742 118.700 0.313 0.000 2.229 643 N HA 0.268 5.008 4.740 -0.000 0.000 0.298 643 N C -1.864 173.525 175.510 -0.202 0.000 1.114 643 N CA -0.611 52.453 53.050 0.023 0.000 0.776 643 N CB 2.290 40.782 38.487 0.009 0.000 1.501 643 N HN 0.632 nan 8.380 nan 0.000 0.474 644 D N 0.249 120.151 120.400 -0.829 0.000 2.424 644 D HA -0.013 4.627 4.640 -0.000 0.000 0.244 644 D C 0.901 177.048 176.300 -0.254 0.000 1.134 644 D CA -0.110 53.477 54.000 -0.689 0.000 0.881 644 D CB 0.563 40.784 40.800 -0.965 0.000 1.191 644 D HN 0.501 nan 8.370 nan 0.000 0.445 645 Y N 3.623 123.816 120.300 -0.179 0.000 2.145 645 Y HA -0.161 4.389 4.550 -0.000 0.000 0.286 645 Y C 1.744 177.551 175.900 -0.156 0.000 1.145 645 Y CA 1.434 59.455 58.100 -0.131 0.000 1.148 645 Y CB -0.254 38.153 38.460 -0.089 0.000 0.981 645 Y HN 0.531 nan 8.280 nan 0.000 0.507 646 L N 0.526 121.717 121.223 -0.053 0.000 2.083 646 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 646 L C 1.124 177.850 176.870 -0.241 0.000 1.083 646 L CA 1.746 56.509 54.840 -0.128 0.000 0.752 646 L CB -0.849 41.188 42.059 -0.037 0.000 0.899 646 L HN 0.216 nan 8.230 nan 0.000 0.433 647 S N -0.044 115.500 115.700 -0.260 0.000 3.356 647 S HA 0.012 4.482 4.470 -0.000 0.000 0.376 647 S C 0.056 174.526 174.600 -0.216 0.000 0.924 647 S CA 0.498 58.528 58.200 -0.284 0.000 1.316 647 S CB -1.621 61.344 63.200 -0.392 0.000 0.922 647 S HN 0.943 nan 8.310 nan 0.000 0.553 648 A N 0.569 123.313 122.820 -0.127 0.000 2.612 648 A HA 0.866 5.186 4.320 -0.000 0.000 0.293 648 A C -0.520 177.063 177.584 -0.003 0.000 1.075 648 A CA -0.090 51.906 52.037 -0.069 0.000 0.680 648 A CB 1.061 20.019 19.000 -0.070 0.000 1.279 648 A HN 1.503 nan 8.150 nan 0.000 0.411 649 A N 1.615 124.429 122.820 -0.010 0.000 2.274 649 A HA 0.637 4.957 4.320 -0.000 0.000 0.309 649 A C -0.390 177.272 177.584 0.130 0.000 1.226 649 A CA -0.632 51.400 52.037 -0.009 0.000 0.853 649 A CB 0.101 18.931 19.000 -0.283 0.000 1.146 649 A HN 0.670 nan 8.150 nan 0.000 0.518 650 N N 3.278 122.101 118.700 0.204 0.000 2.425 650 N HA 0.425 5.165 4.740 -0.000 0.000 0.268 650 N C -0.915 174.782 175.510 0.312 0.000 0.991 650 N CA -0.230 53.039 53.050 0.365 0.000 0.931 650 N CB 1.413 40.158 38.487 0.429 0.000 1.130 650 N HN 0.531 nan 8.380 nan 0.000 0.493 651 M N 2.503 122.341 119.600 0.396 0.000 2.456 651 M HA 0.508 4.988 4.480 -0.000 0.000 0.324 651 M C -0.543 175.837 176.300 0.133 0.000 1.124 651 M CA -0.547 54.873 55.300 0.201 0.000 0.959 651 M CB 1.786 34.612 32.600 0.377 0.000 1.692 651 M HN 0.249 nan 8.290 nan 0.000 0.444 652 L N 3.063 124.159 121.223 -0.211 0.000 2.381 652 L HA 0.535 4.875 4.340 -0.000 0.000 0.274 652 L C -1.593 175.046 176.870 -0.384 0.000 0.988 652 L CA -0.646 54.102 54.840 -0.152 0.000 0.824 652 L CB 1.658 43.615 42.059 -0.170 0.000 1.263 652 L HN 0.563 nan 8.230 nan 0.000 0.410 653 Y N 3.432 123.768 120.300 0.059 0.000 2.341 653 Y HA 0.427 4.977 4.550 -0.000 0.000 0.338 653 Y C -2.119 173.784 175.900 0.006 0.000 0.965 653 Y CA -2.665 55.456 58.100 0.035 0.000 1.108 653 Y CB 1.568 40.050 38.460 0.038 0.000 1.180 653 Y HN 0.354 nan 8.280 nan 0.000 0.458 654 P HA 0.203 nan 4.420 nan 0.000 0.271 654 P C -0.560 176.772 177.300 0.054 0.000 1.216 654 P CA 0.225 63.359 63.100 0.057 0.000 0.771 654 P CB 1.408 33.126 31.700 0.030 0.000 0.864 655 I N 4.745 125.328 120.570 0.020 0.000 2.437 655 I HA 0.257 4.427 4.170 -0.000 0.000 0.279 655 I C -2.276 173.835 176.117 -0.009 0.000 1.028 655 I CA -2.775 58.525 61.300 -0.001 0.000 1.142 655 I CB 1.642 39.623 38.000 -0.031 0.000 1.266 655 I HN 0.062 nan 8.210 nan 0.000 0.461 656 P HA -0.016 nan 4.420 nan 0.000 0.267 656 P C -0.070 177.222 177.300 -0.013 0.000 1.201 656 P CA -0.124 62.971 63.100 -0.008 0.000 0.775 656 P CB 0.576 32.274 31.700 -0.003 0.000 0.854 657 A N 2.872 125.684 122.820 -0.013 0.000 2.567 657 A HA -0.019 4.301 4.320 -0.000 0.000 0.240 657 A C 0.913 178.491 177.584 -0.010 0.000 1.053 657 A CA 0.794 52.824 52.037 -0.011 0.000 0.755 657 A CB -1.379 17.616 19.000 -0.008 0.000 0.978 657 A HN 0.829 nan 8.150 nan 0.000 0.507 658 N N -0.837 117.856 118.700 -0.012 0.000 2.900 658 N HA -0.223 4.517 4.740 -0.000 0.000 0.240 658 N C 0.372 175.873 175.510 -0.014 0.000 0.953 658 N CA 0.539 53.583 53.050 -0.010 0.000 0.950 658 N CB -1.509 36.976 38.487 -0.002 0.000 1.102 658 N HN 1.220 nan 8.380 nan 0.000 0.593 659 A N 0.082 122.892 122.820 -0.018 0.000 2.483 659 A HA 0.368 4.688 4.320 -0.000 0.000 0.238 659 A C 1.205 178.773 177.584 -0.028 0.000 1.070 659 A CA 1.019 53.046 52.037 -0.017 0.000 0.770 659 A CB 0.495 19.486 19.000 -0.014 0.000 1.008 659 A HN 0.231 nan 8.150 nan 0.000 0.497 660 T N 0.622 115.163 114.554 -0.022 0.000 2.964 660 T HA 0.122 4.472 4.350 -0.000 0.000 0.249 660 T C 0.538 175.225 174.700 -0.022 0.000 1.000 660 T CA 0.359 62.442 62.100 -0.028 0.000 0.992 660 T CB -0.123 68.733 68.868 -0.021 0.000 1.087 660 T HN 0.711 nan 8.240 nan 0.000 0.489 661 N N 1.169 119.863 118.700 -0.010 0.000 2.392 661 N HA 0.463 5.203 4.740 -0.000 0.000 0.283 661 N C -1.469 174.049 175.510 0.013 0.000 1.003 661 N CA -0.263 52.788 53.050 0.001 0.000 0.892 661 N CB 1.483 39.968 38.487 -0.002 0.000 1.193 661 N HN -0.156 nan 8.380 nan 0.000 0.487 662 V N 5.679 125.616 119.914 0.039 0.000 2.340 662 V HA 0.471 4.591 4.120 -0.000 0.000 0.277 662 V C -2.280 173.856 176.094 0.071 0.000 1.017 662 V CA -1.219 61.109 62.300 0.046 0.000 0.820 662 V CB 1.231 33.070 31.823 0.028 0.000 1.028 662 V HN 0.669 nan 8.190 nan 0.000 0.436 663 P HA 0.589 nan 4.420 nan 0.000 0.300 663 P C -0.790 176.501 177.300 -0.015 0.000 1.326 663 P CA -0.389 62.720 63.100 0.015 0.000 0.844 663 P CB 2.191 33.895 31.700 0.008 0.000 0.992 664 I N -0.771 119.773 120.570 -0.044 0.000 2.740 664 I HA 0.761 4.931 4.170 -0.000 0.000 0.303 664 I C -0.917 175.197 176.117 -0.007 0.000 1.044 664 I CA -0.963 60.267 61.300 -0.118 0.000 1.064 664 I CB 2.546 40.280 38.000 -0.443 0.000 1.249 664 I HN 0.175 nan 8.210 nan 0.000 0.433 665 S N 5.450 121.183 115.700 0.055 0.000 2.614 665 S HA 0.640 5.110 4.470 -0.000 0.000 0.288 665 S C -0.925 173.759 174.600 0.140 0.000 1.137 665 S CA -0.648 57.607 58.200 0.092 0.000 0.992 665 S CB 1.242 64.486 63.200 0.072 0.000 1.026 665 S HN 0.498 nan 8.310 nan 0.000 0.486 666 I N 6.716 127.384 120.570 0.162 0.000 2.330 666 I HA 0.387 4.557 4.170 -0.000 0.000 0.289 666 I C -2.042 174.143 176.117 0.114 0.000 1.001 666 I CA -2.609 58.783 61.300 0.154 0.000 1.193 666 I CB 1.000 39.139 38.000 0.231 0.000 1.345 666 I HN 0.447 nan 8.210 nan 0.000 0.461 667 P HA -0.012 nan 4.420 nan 0.000 0.269 667 P C 0.231 177.542 177.300 0.019 0.000 1.209 667 P CA -0.046 63.075 63.100 0.035 0.000 0.776 667 P CB 0.691 32.394 31.700 0.005 0.000 0.876 668 S N 2.316 118.049 115.700 0.053 0.000 2.711 668 S HA -0.017 4.453 4.470 -0.000 0.000 0.320 668 S C 0.314 174.883 174.600 -0.052 0.000 1.240 668 S CA 0.515 58.755 58.200 0.066 0.000 1.034 668 S CB -0.537 62.687 63.200 0.039 0.000 0.741 668 S HN 0.797 nan 8.310 nan 0.000 0.496 669 R N 2.292 122.735 120.500 -0.095 0.000 3.329 669 R HA 0.305 4.645 4.340 -0.000 0.000 0.251 669 R C -0.680 175.324 176.300 -0.493 0.000 1.023 669 R CA -0.443 55.456 56.100 -0.334 0.000 1.009 669 R CB -0.495 29.473 30.300 -0.552 0.000 1.250 669 R HN 0.712 nan 8.270 nan 0.000 0.518 670 N N 0.919 119.411 118.700 -0.347 0.000 2.174 670 N HA -0.142 4.598 4.740 -0.000 0.000 0.229 670 N C -0.640 174.574 175.510 -0.493 0.000 1.259 670 N CA 0.803 53.717 53.050 -0.227 0.000 0.859 670 N CB 0.313 38.712 38.487 -0.147 0.000 1.086 670 N HN 0.729 nan 8.380 nan 0.000 0.446 671 W N -1.431 119.890 121.300 0.034 0.000 1.526 671 W HA 0.457 5.117 4.660 -0.000 0.000 0.218 671 W C 0.095 176.671 176.519 0.095 0.000 0.797 671 W CA -0.223 57.130 57.345 0.012 0.000 0.997 671 W CB -0.070 29.426 29.460 0.060 0.000 0.926 671 W HN 0.767 nan 8.180 nan 0.000 0.483 672 A N 1.113 124.106 122.820 0.289 0.000 2.565 672 A HA 0.353 4.673 4.320 -0.000 0.000 0.237 672 A C 1.524 179.240 177.584 0.220 0.000 1.053 672 A CA 1.548 53.724 52.037 0.232 0.000 0.755 672 A CB -0.110 18.983 19.000 0.155 0.000 0.980 672 A HN 1.273 nan 8.150 nan 0.000 0.506 673 A N 1.379 124.326 122.820 0.211 0.000 3.396 673 A HA -0.194 4.126 4.320 -0.000 0.000 0.267 673 A C 0.389 178.181 177.584 0.346 0.000 1.139 673 A CA 0.910 53.098 52.037 0.251 0.000 1.115 673 A CB -2.595 16.524 19.000 0.199 0.000 1.133 673 A HN 2.046 nan 8.150 nan 0.000 0.920 674 F N 1.455 121.481 119.950 0.127 0.000 2.608 674 F HA 0.382 4.909 4.527 -0.000 0.000 0.380 674 F C 1.307 177.095 175.800 -0.020 0.000 1.083 674 F CA 0.616 58.625 58.000 0.015 0.000 1.266 674 F CB 0.370 39.280 39.000 -0.149 0.000 1.076 674 F HN 0.257 nan 8.300 nan 0.000 0.574 675 R N 3.148 123.237 120.500 -0.685 0.000 2.189 675 R HA 0.413 4.753 4.340 -0.000 0.000 0.203 675 R C 0.774 176.575 176.300 -0.832 0.000 1.012 675 R CA 0.313 56.060 56.100 -0.589 0.000 1.015 675 R CB 0.057 30.071 30.300 -0.476 0.000 0.938 675 R HN 0.916 nan 8.270 nan 0.000 0.472 676 G N -0.694 107.082 108.800 -1.707 0.000 2.340 676 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.282 676 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.282 676 G C -1.837 172.535 174.900 -0.879 0.000 1.312 676 G CA -0.976 43.388 45.100 -1.227 0.000 0.942 676 G HN 0.025 nan 8.290 nan 0.000 0.495 677 W N -0.045 121.154 121.300 -0.168 0.000 2.781 677 W HA 0.756 5.416 4.660 -0.000 0.000 0.345 677 W C 0.121 176.593 176.519 -0.078 0.000 1.085 677 W CA -0.266 57.026 57.345 -0.088 0.000 1.198 677 W CB 2.435 31.893 29.460 -0.002 0.000 1.423 677 W HN 1.285 nan 8.180 nan 0.000 0.532 678 A N 2.735 125.638 122.820 0.137 0.000 2.486 678 A HA 0.939 5.259 4.320 -0.000 0.000 0.300 678 A C -1.655 175.912 177.584 -0.028 0.000 1.048 678 A CA -0.551 51.452 52.037 -0.057 0.000 0.696 678 A CB 1.672 20.547 19.000 -0.209 0.000 1.278 678 A HN 0.672 nan 8.150 nan 0.000 0.405 679 F N -0.914 118.894 119.950 -0.237 0.000 2.719 679 F HA 0.877 5.404 4.527 -0.000 0.000 0.309 679 F C -0.305 175.276 175.800 -0.365 0.000 1.138 679 F CA -0.385 57.423 58.000 -0.319 0.000 0.943 679 F CB 1.134 40.017 39.000 -0.195 0.000 1.304 679 F HN 0.711 nan 8.300 nan 0.000 0.445 680 T N -0.431 114.077 114.554 -0.077 0.000 2.626 680 T HA 0.607 4.957 4.350 -0.000 0.000 0.299 680 T C -1.713 173.273 174.700 0.477 0.000 1.181 680 T CA -1.191 60.926 62.100 0.029 0.000 1.053 680 T CB 1.997 70.648 68.868 -0.362 0.000 1.566 680 T HN 0.949 nan 8.240 nan 0.000 0.486 681 R N 0.113 120.844 120.500 0.384 0.000 2.575 681 R HA 0.743 5.083 4.340 -0.000 0.000 0.293 681 R C -1.770 174.612 176.300 0.136 0.000 0.983 681 R CA -0.684 55.553 56.100 0.229 0.000 0.887 681 R CB 1.012 31.316 30.300 0.008 0.000 1.184 681 R HN 0.614 nan 8.270 nan 0.000 0.445 682 L N 2.676 123.978 121.223 0.133 0.000 2.323 682 L HA 0.579 4.919 4.340 -0.000 0.000 0.265 682 L C -0.340 176.551 176.870 0.035 0.000 1.012 682 L CA -1.171 53.735 54.840 0.110 0.000 0.820 682 L CB 2.214 44.383 42.059 0.183 0.000 1.334 682 L HN 0.462 nan 8.230 nan 0.000 0.427 683 K N 0.030 120.447 120.400 0.028 0.000 2.201 683 K HA 0.269 4.589 4.320 -0.000 0.000 0.278 683 K C 0.535 177.128 176.600 -0.012 0.000 1.027 683 K CA -0.396 55.894 56.287 0.004 0.000 0.909 683 K CB 1.758 34.268 32.500 0.017 0.000 1.062 683 K HN 0.559 nan 8.250 nan 0.000 0.465 684 T N 2.349 116.891 114.554 -0.019 0.000 2.720 684 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 684 T C 1.336 176.025 174.700 -0.018 0.000 1.037 684 T CA 1.415 63.503 62.100 -0.020 0.000 1.144 684 T CB 0.002 68.857 68.868 -0.020 0.000 0.864 684 T HN 0.520 nan 8.240 nan 0.000 0.444 685 K N 0.917 121.284 120.400 -0.055 0.000 2.211 685 K HA -0.088 4.232 4.320 -0.000 0.000 0.204 685 K C 1.800 178.263 176.600 -0.229 0.000 1.047 685 K CA 1.100 57.327 56.287 -0.100 0.000 0.935 685 K CB -0.041 32.379 32.500 -0.132 0.000 0.728 685 K HN 0.518 nan 8.250 nan 0.000 0.452 686 E N 0.133 120.167 120.200 -0.277 0.000 2.444 686 E HA 0.030 4.380 4.350 -0.000 0.000 0.191 686 E C -0.522 176.134 176.600 0.093 0.000 1.041 686 E CA 0.145 56.317 56.400 -0.380 0.000 0.883 686 E CB 0.798 30.282 29.700 -0.361 0.000 1.024 686 E HN -0.007 nan 8.360 nan 0.000 0.470 687 T N 3.837 118.453 114.554 0.105 0.000 2.912 687 T HA 0.217 4.567 4.350 -0.000 0.000 0.326 687 T C -2.418 172.237 174.700 -0.076 0.000 1.080 687 T CA -1.495 60.617 62.100 0.020 0.000 1.000 687 T CB 1.353 70.174 68.868 -0.079 0.000 1.008 687 T HN 0.006 nan 8.240 nan 0.000 0.473 688 P HA 0.121 nan 4.420 nan 0.000 0.269 688 P C -0.099 176.984 177.300 -0.362 0.000 1.215 688 P CA -0.288 62.413 63.100 -0.665 0.000 0.780 688 P CB 0.762 31.735 31.700 -1.212 0.000 0.898 689 S N 2.422 117.959 115.700 -0.272 0.000 2.455 689 S HA 0.286 4.756 4.470 -0.000 0.000 0.278 689 S C 0.099 174.593 174.600 -0.176 0.000 1.216 689 S CA -0.612 57.477 58.200 -0.184 0.000 1.055 689 S CB -0.910 62.230 63.200 -0.099 0.000 0.939 689 S HN 0.261 nan 8.310 nan 0.000 0.494 690 L N 4.314 125.444 121.223 -0.155 0.000 2.365 690 L HA 0.700 5.040 4.340 -0.000 0.000 0.267 690 L C 1.619 178.468 176.870 -0.035 0.000 1.033 690 L CA -0.129 54.665 54.840 -0.077 0.000 0.802 690 L CB 1.023 43.056 42.059 -0.043 0.000 1.267 690 L HN 0.925 nan 8.230 nan 0.000 0.457 691 G N 0.271 109.081 108.800 0.016 0.000 2.611 691 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.208 691 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.208 691 G C 0.212 175.114 174.900 0.003 0.000 1.201 691 G CA 0.090 45.197 45.100 0.011 0.000 0.739 691 G HN 0.760 nan 8.290 nan 0.000 0.528 692 S N 1.420 117.113 115.700 -0.012 0.000 2.565 692 S HA 0.555 5.025 4.470 -0.000 0.000 0.274 692 S C 1.524 176.128 174.600 0.006 0.000 1.309 692 S CA 0.750 58.937 58.200 -0.023 0.000 1.043 692 S CB 1.593 64.767 63.200 -0.044 0.000 0.939 692 S HN 1.649 nan 8.310 nan 0.000 0.504 693 G N 0.417 109.212 108.800 -0.009 0.000 2.535 693 G HA2 0.025 3.985 3.960 -0.000 0.000 0.218 693 G HA3 0.025 3.985 3.960 -0.000 0.000 0.218 693 G C -0.151 174.755 174.900 0.010 0.000 1.122 693 G CA 0.505 45.648 45.100 0.071 0.000 0.769 693 G HN 0.836 nan 8.290 nan 0.000 0.549 694 Y N -0.404 119.704 120.300 -0.320 0.000 2.390 694 Y HA 0.386 4.936 4.550 -0.000 0.000 0.324 694 Y C -2.002 173.763 175.900 -0.226 0.000 1.151 694 Y CA -1.441 56.450 58.100 -0.349 0.000 1.053 694 Y CB 1.947 39.966 38.460 -0.735 0.000 1.277 694 Y HN -0.050 nan 8.280 nan 0.000 0.432 695 D N 8.366 128.403 120.400 -0.605 0.000 2.443 695 D HA 0.306 4.946 4.640 -0.000 0.000 0.221 695 D C -1.765 174.195 176.300 -0.567 0.000 1.097 695 D CA -2.511 51.230 54.000 -0.432 0.000 0.865 695 D CB 1.762 42.386 40.800 -0.293 0.000 1.034 695 D HN 0.363 nan 8.370 nan 0.000 0.511 696 P HA -0.153 nan 4.420 nan 0.000 0.220 696 P C 0.558 177.635 177.300 -0.372 0.000 1.148 696 P CA 1.001 63.851 63.100 -0.418 0.000 0.803 696 P CB 0.003 31.386 31.700 -0.528 0.000 0.782 697 Y N -2.487 117.810 120.300 -0.005 0.000 2.493 697 Y HA 0.187 4.737 4.550 -0.000 0.000 0.275 697 Y C 0.914 176.859 175.900 0.075 0.000 1.183 697 Y CA -0.803 57.313 58.100 0.026 0.000 1.258 697 Y CB -0.627 37.845 38.460 0.019 0.000 1.108 697 Y HN -0.096 nan 8.280 nan 0.000 0.521 698 Y N 2.386 122.675 120.300 -0.018 0.000 2.595 698 Y HA 0.165 4.715 4.550 -0.000 0.000 0.347 698 Y C 0.505 176.420 175.900 0.025 0.000 1.025 698 Y CA -0.707 57.391 58.100 -0.003 0.000 1.295 698 Y CB 0.470 38.884 38.460 -0.078 0.000 1.147 698 Y HN 0.087 nan 8.280 nan 0.000 0.515 699 T N 2.733 117.195 114.554 -0.153 0.000 3.327 699 T HA 0.232 4.582 4.350 -0.000 0.000 0.244 699 T C -1.110 173.494 174.700 -0.159 0.000 1.074 699 T CA -0.446 61.574 62.100 -0.132 0.000 1.156 699 T CB -0.595 68.256 68.868 -0.028 0.000 1.087 699 T HN 0.528 nan 8.240 nan 0.000 0.575 700 Y N 0.978 120.917 120.300 -0.602 0.000 2.513 700 Y HA 0.552 5.103 4.550 -0.000 0.000 0.340 700 Y C -0.094 175.551 175.900 -0.426 0.000 1.055 700 Y CA -0.897 56.924 58.100 -0.465 0.000 1.020 700 Y CB 2.118 40.310 38.460 -0.445 0.000 1.301 700 Y HN 0.209 nan 8.280 nan 0.000 0.453 701 S N 1.907 117.074 115.700 -0.887 0.000 2.952 701 S HA 0.468 4.938 4.470 -0.000 0.000 0.251 701 S C 0.387 174.601 174.600 -0.643 0.000 1.021 701 S CA -0.013 57.838 58.200 -0.582 0.000 1.067 701 S CB -0.003 63.032 63.200 -0.274 0.000 1.002 701 S HN 0.988 nan 8.310 nan 0.000 0.574 702 G N 2.121 110.120 108.800 -1.336 0.000 2.531 702 G HA2 0.495 4.455 3.960 -0.000 0.000 0.253 702 G HA3 0.495 4.455 3.960 -0.000 0.000 0.253 702 G C 0.099 174.977 174.900 -0.037 0.000 1.439 702 G CA -0.127 44.676 45.100 -0.495 0.000 1.056 702 G HN 0.726 nan 8.290 nan 0.000 0.555 703 S N -1.280 114.545 115.700 0.209 0.000 2.576 703 S HA 0.379 4.849 4.470 -0.000 0.000 0.276 703 S C -0.060 174.740 174.600 0.334 0.000 1.339 703 S CA -0.390 57.935 58.200 0.207 0.000 1.039 703 S CB 0.753 64.040 63.200 0.145 0.000 0.902 703 S HN 0.380 nan 8.310 nan 0.000 0.516 704 I N 3.266 123.970 120.570 0.224 0.000 2.503 704 I HA 0.277 4.447 4.170 -0.000 0.000 0.277 704 I C -1.974 174.201 176.117 0.097 0.000 1.078 704 I CA -2.318 59.129 61.300 0.245 0.000 1.184 704 I CB 1.375 39.523 38.000 0.247 0.000 1.353 704 I HN 0.455 nan 8.210 nan 0.000 0.490 705 P HA -0.286 nan 4.420 nan 0.000 0.218 705 P C 1.571 178.713 177.300 -0.262 0.000 1.154 705 P CA 1.679 64.653 63.100 -0.211 0.000 0.872 705 P CB 0.027 31.750 31.700 0.037 0.000 0.790 706 Y N -0.204 120.088 120.300 -0.014 0.000 2.207 706 Y HA -0.196 4.354 4.550 -0.000 0.000 0.287 706 Y C 1.843 177.753 175.900 0.017 0.000 1.156 706 Y CA 1.570 59.696 58.100 0.043 0.000 1.182 706 Y CB -0.566 37.845 38.460 -0.080 0.000 0.979 706 Y HN -0.126 nan 8.280 nan 0.000 0.521 707 L N -0.853 120.364 121.223 -0.011 0.000 2.388 707 L HA 0.058 4.398 4.340 -0.000 0.000 0.209 707 L C 1.540 178.351 176.870 -0.098 0.000 1.061 707 L CA 0.875 55.686 54.840 -0.049 0.000 0.834 707 L CB -0.257 41.857 42.059 0.092 0.000 1.029 707 L HN 0.174 nan 8.230 nan 0.000 0.473 708 D N -0.831 119.487 120.400 -0.136 0.000 2.360 708 D HA 0.100 4.740 4.640 -0.000 0.000 0.210 708 D C 1.441 177.553 176.300 -0.313 0.000 1.047 708 D CA 0.686 54.587 54.000 -0.165 0.000 0.854 708 D CB 0.410 41.147 40.800 -0.106 0.000 0.936 708 D HN 0.182 nan 8.370 nan 0.000 0.514 709 G N 0.460 108.918 108.800 -0.569 0.000 2.143 709 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.249 709 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.249 709 G C 0.673 175.156 174.900 -0.694 0.000 0.981 709 G CA 0.523 45.135 45.100 -0.813 0.000 0.665 709 G HN 0.684 nan 8.290 nan 0.000 0.528 710 T N -0.447 113.703 114.554 -0.673 0.000 3.820 710 T HA 0.556 4.906 4.350 -0.000 0.000 0.224 710 T C 0.616 175.263 174.700 -0.088 0.000 0.869 710 T CA -0.545 61.141 62.100 -0.690 0.000 0.932 710 T CB -0.736 67.488 68.868 -1.072 0.000 1.259 710 T HN 0.300 nan 8.240 nan 0.000 0.676 711 F N 2.476 122.552 119.950 0.211 0.000 2.518 711 F HA 0.306 4.833 4.527 -0.000 0.000 0.359 711 F C 1.064 177.146 175.800 0.470 0.000 1.118 711 F CA -0.683 57.476 58.000 0.265 0.000 1.287 711 F CB 0.444 39.512 39.000 0.112 0.000 1.132 711 F HN 0.520 nan 8.300 nan 0.000 0.587 712 Y N -0.322 120.263 120.300 0.475 0.000 2.954 712 Y HA 0.435 4.985 4.550 -0.000 0.000 0.267 712 Y C -0.415 175.715 175.900 0.383 0.000 1.093 712 Y CA -0.475 57.870 58.100 0.408 0.000 1.257 712 Y CB -0.867 37.827 38.460 0.389 0.000 1.317 712 Y HN 0.416 nan 8.280 nan 0.000 0.587 713 L N 0.926 122.130 121.223 -0.031 0.000 3.014 713 L HA 0.318 4.658 4.340 -0.000 0.000 0.263 713 L C 0.977 177.833 176.870 -0.024 0.000 1.207 713 L CA -0.079 54.676 54.840 -0.142 0.000 1.017 713 L CB 0.110 41.993 42.059 -0.294 0.000 1.360 713 L HN 0.212 nan 8.230 nan 0.000 0.560 714 N N 0.610 119.421 118.700 0.186 0.000 2.364 714 N HA -0.176 4.564 4.740 -0.000 0.000 0.183 714 N C 1.674 177.597 175.510 0.688 0.000 1.022 714 N CA 1.133 54.386 53.050 0.337 0.000 0.883 714 N CB -0.122 38.190 38.487 -0.291 0.000 0.965 714 N HN 0.589 nan 8.380 nan 0.000 0.438 715 H N -0.219 119.034 119.070 0.304 0.000 2.559 715 H HA 0.074 4.630 4.556 -0.000 0.000 0.273 715 H C 1.027 176.385 175.328 0.050 0.000 1.000 715 H CA 1.231 57.272 56.048 -0.012 0.000 1.195 715 H CB -0.623 28.909 29.762 -0.383 0.000 1.368 715 H HN 0.134 nan 8.280 nan 0.000 0.592 716 T N -2.432 111.959 114.554 -0.272 0.000 3.144 716 T HA 0.159 4.509 4.350 -0.000 0.000 0.249 716 T C 0.116 174.708 174.700 -0.180 0.000 1.089 716 T CA -0.555 61.388 62.100 -0.262 0.000 0.989 716 T CB -0.737 67.884 68.868 -0.412 0.000 0.992 716 T HN 0.012 nan 8.240 nan 0.000 0.540 717 F N 1.418 121.423 119.950 0.091 0.000 2.394 717 F HA 0.596 5.123 4.527 -0.000 0.000 0.340 717 F C 1.370 177.148 175.800 -0.038 0.000 1.105 717 F CA -1.140 56.907 58.000 0.077 0.000 1.124 717 F CB 1.817 40.927 39.000 0.184 0.000 1.145 717 F HN -0.103 nan 8.300 nan 0.000 0.505 718 K N 2.234 122.684 120.400 0.082 0.000 2.161 718 K HA 0.186 4.506 4.320 -0.000 0.000 0.205 718 K C -0.508 176.035 176.600 -0.095 0.000 1.035 718 K CA 0.724 57.004 56.287 -0.012 0.000 0.970 718 K CB 0.368 32.856 32.500 -0.020 0.000 0.866 718 K HN 0.647 nan 8.250 nan 0.000 0.461 719 K N -1.307 119.040 120.400 -0.088 0.000 2.579 719 K HA 0.479 4.799 4.320 -0.000 0.000 0.284 719 K C -1.571 174.901 176.600 -0.213 0.000 0.990 719 K CA -1.118 55.067 56.287 -0.170 0.000 0.880 719 K CB 2.139 34.559 32.500 -0.133 0.000 1.488 719 K HN -0.168 nan 8.250 nan 0.000 0.425 720 V N 0.104 119.849 119.914 -0.281 0.000 2.686 720 V HA 0.736 4.856 4.120 -0.000 0.000 0.306 720 V C -1.025 174.893 176.094 -0.294 0.000 1.065 720 V CA -0.740 61.252 62.300 -0.515 0.000 0.894 720 V CB 1.518 32.865 31.823 -0.792 0.000 1.004 720 V HN 0.967 nan 8.190 nan 0.000 0.424 721 A N 5.729 128.334 122.820 -0.358 0.000 2.318 721 A HA 0.924 5.244 4.320 -0.000 0.000 0.317 721 A C -0.831 176.604 177.584 -0.248 0.000 1.159 721 A CA -0.483 51.441 52.037 -0.188 0.000 0.799 721 A CB 0.765 19.678 19.000 -0.145 0.000 1.194 721 A HN 0.784 nan 8.150 nan 0.000 0.479 722 I N 2.037 122.538 120.570 -0.115 0.000 2.433 722 I HA 0.471 4.641 4.170 -0.000 0.000 0.292 722 I C -0.465 175.632 176.117 -0.033 0.000 1.001 722 I CA -0.212 60.985 61.300 -0.173 0.000 1.119 722 I CB 2.421 40.320 38.000 -0.168 0.000 1.289 722 I HN 0.582 nan 8.210 nan 0.000 0.438 723 T N 5.596 120.067 114.554 -0.138 0.000 2.928 723 T HA 0.497 4.847 4.350 -0.000 0.000 0.296 723 T C -0.664 173.964 174.700 -0.120 0.000 1.000 723 T CA -0.480 61.601 62.100 -0.031 0.000 0.989 723 T CB 0.967 69.834 68.868 -0.002 0.000 1.005 723 T HN 0.087 nan 8.240 nan 0.000 0.442 724 F N 2.168 122.183 119.950 0.110 0.000 2.399 724 F HA 0.353 4.880 4.527 -0.000 0.000 0.334 724 F C 1.292 177.170 175.800 0.130 0.000 1.097 724 F CA -0.312 57.744 58.000 0.094 0.000 1.076 724 F CB 0.888 39.922 39.000 0.056 0.000 1.162 724 F HN 0.614 nan 8.300 nan 0.000 0.495 725 D N 2.299 122.906 120.400 0.344 0.000 2.702 725 D HA -0.260 4.380 4.640 -0.000 0.000 0.233 725 D C 0.710 177.096 176.300 0.144 0.000 1.164 725 D CA 1.106 55.240 54.000 0.223 0.000 0.638 725 D CB -1.012 39.921 40.800 0.221 0.000 1.041 725 D HN 0.849 nan 8.370 nan 0.000 0.422 726 S N -2.359 113.411 115.700 0.115 0.000 3.491 726 S HA -0.281 4.189 4.470 -0.000 0.000 0.371 726 S C 0.919 175.563 174.600 0.073 0.000 0.980 726 S CA 2.032 60.277 58.200 0.075 0.000 1.204 726 S CB -2.109 61.126 63.200 0.058 0.000 0.915 726 S HN 1.471 nan 8.310 nan 0.000 0.482 727 S N -3.230 112.527 115.700 0.094 0.000 1.773 727 S HA 0.171 4.641 4.470 -0.000 0.000 0.203 727 S C -0.106 174.555 174.600 0.102 0.000 0.762 727 S CA 0.285 58.534 58.200 0.082 0.000 1.503 727 S CB -0.113 63.130 63.200 0.072 0.000 0.926 727 S HN 1.074 nan 8.310 nan 0.000 0.380 728 V N 3.559 123.565 119.914 0.153 0.000 2.368 728 V HA 0.643 4.763 4.120 -0.000 0.000 0.266 728 V C 0.422 176.660 176.094 0.239 0.000 1.045 728 V CA -0.154 62.256 62.300 0.183 0.000 0.899 728 V CB 0.928 32.879 31.823 0.213 0.000 1.006 728 V HN 0.550 nan 8.190 nan 0.000 0.470 729 S N 5.159 120.967 115.700 0.180 0.000 2.548 729 S HA 0.417 4.887 4.470 -0.000 0.000 0.277 729 S C -0.899 173.881 174.600 0.299 0.000 1.315 729 S CA -0.427 57.889 58.200 0.192 0.000 1.050 729 S CB 0.358 63.609 63.200 0.085 0.000 0.918 729 S HN 0.663 nan 8.310 nan 0.000 0.497 730 W N 6.473 127.908 121.300 0.225 0.000 2.702 730 W HA 0.517 5.177 4.660 -0.000 0.000 0.331 730 W C -1.967 174.749 176.519 0.329 0.000 1.049 730 W CA -2.147 55.401 57.345 0.338 0.000 1.230 730 W CB 1.656 31.484 29.460 0.613 0.000 1.408 730 W HN 0.513 nan 8.180 nan 0.000 0.492 731 P HA 0.096 nan 4.420 nan 0.000 0.241 731 P C 0.915 177.931 177.300 -0.473 0.000 1.191 731 P CA 1.421 63.728 63.100 -1.322 0.000 0.771 731 P CB 0.317 31.235 31.700 -1.305 0.000 0.929 732 G N 1.893 110.556 108.800 -0.228 0.000 2.581 732 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.291 732 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.291 732 G C 0.381 175.197 174.900 -0.140 0.000 1.277 732 G CA 0.341 45.371 45.100 -0.116 0.000 0.959 732 G HN 0.325 nan 8.290 nan 0.000 0.554 733 N N 0.125 118.772 118.700 -0.089 0.000 2.681 733 N HA -0.211 4.529 4.740 -0.000 0.000 0.250 733 N C 0.636 176.100 175.510 -0.077 0.000 1.133 733 N CA 2.510 55.510 53.050 -0.082 0.000 0.732 733 N CB -0.872 37.552 38.487 -0.105 0.000 1.107 733 N HN 1.571 nan 8.380 nan 0.000 0.559 734 D N -1.392 118.964 120.400 -0.073 0.000 2.751 734 D HA -0.223 4.417 4.640 -0.000 0.000 0.233 734 D C 1.158 177.424 176.300 -0.057 0.000 1.149 734 D CA 1.160 55.125 54.000 -0.058 0.000 0.682 734 D CB -0.177 40.600 40.800 -0.038 0.000 1.068 734 D HN 0.396 nan 8.370 nan 0.000 0.429 735 R N -0.524 119.926 120.500 -0.083 0.000 2.062 735 R HA 0.119 4.459 4.340 -0.000 0.000 0.226 735 R C 1.102 177.390 176.300 -0.021 0.000 1.125 735 R CA 0.574 56.640 56.100 -0.056 0.000 0.966 735 R CB -0.086 30.160 30.300 -0.090 0.000 0.861 735 R HN 0.330 nan 8.270 nan 0.000 0.433 736 L N 1.259 122.438 121.223 -0.072 0.000 2.421 736 L HA 0.166 4.506 4.340 -0.000 0.000 0.263 736 L C 1.936 178.800 176.870 -0.010 0.000 1.122 736 L CA -0.432 54.371 54.840 -0.061 0.000 0.804 736 L CB 0.600 42.537 42.059 -0.203 0.000 1.150 736 L HN 0.004 nan 8.230 nan 0.000 0.457 737 L N 0.599 121.867 121.223 0.074 0.000 2.127 737 L HA -0.125 4.215 4.340 -0.000 0.000 0.211 737 L C 1.102 178.004 176.870 0.054 0.000 1.089 737 L CA 1.371 56.322 54.840 0.186 0.000 0.757 737 L CB -0.573 41.842 42.059 0.594 0.000 0.899 737 L HN 0.800 nan 8.230 nan 0.000 0.434 738 T N -4.069 110.441 114.554 -0.073 0.000 3.250 738 T HA 0.271 4.621 4.350 -0.000 0.000 0.391 738 T C -1.528 173.085 174.700 -0.145 0.000 1.502 738 T CA -1.878 60.139 62.100 -0.139 0.000 1.320 738 T CB 0.915 69.652 68.868 -0.218 0.000 1.102 738 T HN -0.056 nan 8.240 nan 0.000 0.610 739 P HA -0.183 nan 4.420 nan 0.000 0.218 739 P C 0.840 178.052 177.300 -0.146 0.000 1.150 739 P CA 1.208 64.231 63.100 -0.129 0.000 0.841 739 P CB 0.164 31.817 31.700 -0.079 0.000 0.784 740 N N 0.150 118.780 118.700 -0.118 0.000 2.398 740 N HA 0.003 4.743 4.740 -0.000 0.000 0.188 740 N C 0.758 176.207 175.510 -0.101 0.000 1.122 740 N CA 0.539 53.534 53.050 -0.091 0.000 0.866 740 N CB 0.346 38.796 38.487 -0.063 0.000 0.970 740 N HN 0.575 nan 8.380 nan 0.000 0.462 741 E N -1.190 118.913 120.200 -0.162 0.000 2.422 741 E HA 0.209 4.559 4.350 -0.000 0.000 0.280 741 E C -1.618 174.854 176.600 -0.214 0.000 1.091 741 E CA -0.755 55.570 56.400 -0.125 0.000 0.849 741 E CB 0.289 29.933 29.700 -0.095 0.000 1.353 741 E HN -0.243 nan 8.360 nan 0.000 0.449 742 F N 1.374 121.247 119.950 -0.128 0.000 2.350 742 F HA 0.282 4.809 4.527 -0.000 0.000 0.365 742 F C 0.200 175.876 175.800 -0.207 0.000 1.122 742 F CA -0.385 57.556 58.000 -0.098 0.000 1.139 742 F CB 1.253 40.234 39.000 -0.032 0.000 1.220 742 F HN 0.239 nan 8.300 nan 0.000 0.499 743 E N 4.668 124.833 120.200 -0.057 0.000 2.130 743 E HA 0.214 4.564 4.350 -0.000 0.000 0.284 743 E C 0.779 177.249 176.600 -0.217 0.000 1.018 743 E CA -0.132 56.184 56.400 -0.141 0.000 0.817 743 E CB 1.515 31.137 29.700 -0.130 0.000 1.078 743 E HN 0.688 nan 8.360 nan 0.000 0.396 744 I N 2.839 123.138 120.570 -0.452 0.000 2.333 744 I HA -0.142 4.028 4.170 -0.000 0.000 0.246 744 I C 0.839 176.795 176.117 -0.269 0.000 1.106 744 I CA 1.089 61.904 61.300 -0.809 0.000 1.411 744 I CB 0.064 37.391 38.000 -1.121 0.000 1.082 744 I HN 0.408 nan 8.210 nan 0.000 0.420 745 K N 0.449 120.796 120.400 -0.087 0.000 2.532 745 K HA 0.662 4.982 4.320 -0.000 0.000 0.265 745 K C -0.981 175.647 176.600 0.045 0.000 0.948 745 K CA -0.905 55.429 56.287 0.078 0.000 0.842 745 K CB 2.106 34.742 32.500 0.227 0.000 1.392 745 K HN -0.156 nan 8.250 nan 0.000 0.436 746 R N 0.502 121.048 120.500 0.077 0.000 2.740 746 R HA 0.368 4.708 4.340 -0.000 0.000 0.282 746 R C -0.987 175.356 176.300 0.071 0.000 0.969 746 R CA -1.099 55.030 56.100 0.048 0.000 0.918 746 R CB 2.312 32.635 30.300 0.037 0.000 1.175 746 R HN 0.884 nan 8.270 nan 0.000 0.464 747 S N 0.838 116.567 115.700 0.050 0.000 2.423 747 S HA 0.193 4.663 4.470 -0.000 0.000 0.317 747 S C 1.198 175.827 174.600 0.049 0.000 1.065 747 S CA -0.702 57.531 58.200 0.055 0.000 1.111 747 S CB 1.065 64.291 63.200 0.042 0.000 0.968 747 S HN 0.535 nan 8.310 nan 0.000 0.474 748 V N 1.977 121.927 119.914 0.060 0.000 0.575 748 V HA -0.458 3.662 4.120 -0.000 0.000 0.092 748 V C 2.089 178.211 176.094 0.047 0.000 1.949 748 V CA 2.551 64.883 62.300 0.052 0.000 3.444 748 V CB -1.921 29.925 31.823 0.040 0.000 0.743 748 V HN 0.842 nan 8.190 nan 0.000 0.767 749 D N 0.915 121.337 120.400 0.036 0.000 2.203 749 D HA -0.077 4.563 4.640 -0.000 0.000 0.199 749 D C 1.592 177.918 176.300 0.043 0.000 0.997 749 D CA 1.956 55.975 54.000 0.031 0.000 0.863 749 D CB -0.334 40.476 40.800 0.018 0.000 0.928 749 D HN 0.776 nan 8.370 nan 0.000 0.458 750 G N -0.008 108.824 108.800 0.052 0.000 4.547 750 G HA2 0.050 4.010 3.960 -0.000 0.000 0.301 750 G HA3 0.050 4.010 3.960 -0.000 0.000 0.301 750 G C 0.912 175.890 174.900 0.131 0.000 1.240 750 G CA -0.366 44.784 45.100 0.084 0.000 0.970 750 G HN -0.048 nan 8.290 nan 0.000 0.574 751 E N 0.730 120.992 120.200 0.104 0.000 2.160 751 E HA -0.120 4.230 4.350 -0.000 0.000 0.195 751 E C 2.538 179.202 176.600 0.106 0.000 0.991 751 E CA 1.182 57.642 56.400 0.100 0.000 0.810 751 E CB 0.001 29.744 29.700 0.071 0.000 0.742 751 E HN 0.452 nan 8.360 nan 0.000 0.466 752 G N -0.083 108.780 108.800 0.105 0.000 2.442 752 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.219 752 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.219 752 G C 1.388 176.315 174.900 0.047 0.000 1.141 752 G CA 0.592 45.727 45.100 0.057 0.000 0.763 752 G HN 0.268 nan 8.290 nan 0.000 0.554 753 Y N 1.280 121.599 120.300 0.031 0.000 2.224 753 Y HA -0.018 4.532 4.550 -0.000 0.000 0.289 753 Y C 1.219 177.144 175.900 0.041 0.000 1.146 753 Y CA 0.705 58.826 58.100 0.036 0.000 1.182 753 Y CB -0.148 38.331 38.460 0.033 0.000 0.983 753 Y HN 0.082 nan 8.280 nan 0.000 0.524 754 N N 0.386 119.203 118.700 0.195 0.000 2.454 754 N HA 0.164 4.904 4.740 -0.000 0.000 0.254 754 N C -0.182 175.368 175.510 0.066 0.000 1.228 754 N CA 0.341 53.471 53.050 0.134 0.000 0.900 754 N CB 0.868 39.433 38.487 0.129 0.000 1.089 754 N HN 0.045 nan 8.380 nan 0.000 0.449 755 V N -2.205 117.722 119.914 0.021 0.000 3.182 755 V HA 0.843 4.963 4.120 -0.000 0.000 0.311 755 V C 0.937 176.963 176.094 -0.113 0.000 1.221 755 V CA -0.703 61.550 62.300 -0.078 0.000 1.060 755 V CB 0.671 32.374 31.823 -0.200 0.000 1.164 755 V HN 0.729 nan 8.190 nan 0.000 0.466 756 A N -0.690 122.005 122.820 -0.208 0.000 2.799 756 A HA -0.293 4.027 4.320 -0.000 0.000 0.274 756 A C 0.997 178.565 177.584 -0.025 0.000 1.393 756 A CA 1.815 53.759 52.037 -0.156 0.000 0.909 756 A CB -2.464 16.420 19.000 -0.194 0.000 1.012 756 A HN 1.646 nan 8.150 nan 0.000 0.653 757 Q N -4.239 115.558 119.800 -0.005 0.000 2.487 757 Q HA -0.260 4.080 4.340 -0.000 0.000 0.279 757 Q C 0.301 176.339 176.000 0.064 0.000 1.228 757 Q CA 1.113 56.932 55.803 0.027 0.000 0.873 757 Q CB -2.722 26.025 28.738 0.015 0.000 1.260 757 Q HN 2.149 nan 8.270 nan 0.000 0.471 758 C N -2.731 116.630 119.300 0.102 0.000 3.292 758 C HA 0.563 5.023 4.460 -0.000 0.000 0.369 758 C C 1.258 176.369 174.990 0.202 0.000 1.664 758 C CA -0.265 58.856 59.018 0.171 0.000 1.204 758 C CB 0.826 28.694 27.740 0.214 0.000 1.978 758 C HN 0.473 nan 8.230 nan 0.000 0.435 759 N N 0.647 119.517 118.700 0.282 0.000 2.449 759 N HA 0.030 4.770 4.740 -0.000 0.000 0.191 759 N C 0.228 175.903 175.510 0.276 0.000 1.161 759 N CA 0.067 53.274 53.050 0.261 0.000 0.863 759 N CB -0.276 38.367 38.487 0.260 0.000 0.980 759 N HN 0.894 nan 8.380 nan 0.000 0.458 760 M N 1.737 121.501 119.600 0.274 0.000 2.242 760 M HA 0.075 4.555 4.480 -0.000 0.000 0.344 760 M C 0.156 176.553 176.300 0.162 0.000 1.140 760 M CA -0.268 55.151 55.300 0.198 0.000 1.160 760 M CB 0.859 33.518 32.600 0.098 0.000 1.491 760 M HN 0.205 nan 8.290 nan 0.000 0.459 761 T N 1.161 115.817 114.554 0.170 0.000 2.899 761 T HA 0.313 4.663 4.350 -0.000 0.000 0.284 761 T C 0.739 175.565 174.700 0.211 0.000 1.004 761 T CA -0.677 61.536 62.100 0.189 0.000 1.043 761 T CB 1.127 70.089 68.868 0.158 0.000 1.013 761 T HN 0.798 nan 8.240 nan 0.000 0.518 762 K N 0.481 121.017 120.400 0.226 0.000 2.057 762 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 762 K C 1.823 178.556 176.600 0.222 0.000 1.049 762 K CA 1.575 57.986 56.287 0.208 0.000 0.931 762 K CB -0.192 32.414 32.500 0.177 0.000 0.714 762 K HN 0.600 nan 8.250 nan 0.000 0.440 763 D N 0.225 120.754 120.400 0.215 0.000 2.106 763 D HA -0.231 4.409 4.640 -0.000 0.000 0.191 763 D C 1.487 177.860 176.300 0.122 0.000 0.997 763 D CA 0.920 55.008 54.000 0.146 0.000 0.834 763 D CB -0.281 40.584 40.800 0.109 0.000 0.956 763 D HN 0.372 nan 8.370 nan 0.000 0.448 764 W N 0.325 121.588 121.300 -0.061 0.000 2.388 764 W HA -0.213 4.447 4.660 -0.000 0.000 0.294 764 W C 2.040 178.416 176.519 -0.238 0.000 1.212 764 W CA 0.376 57.618 57.345 -0.173 0.000 1.271 764 W CB -0.410 28.920 29.460 -0.216 0.000 1.126 764 W HN -0.089 nan 8.180 nan 0.000 0.535 765 F N 1.241 121.069 119.950 -0.204 0.000 2.171 765 F HA -0.231 4.296 4.527 -0.000 0.000 0.300 765 F C 2.246 177.845 175.800 -0.334 0.000 1.090 765 F CA 1.765 59.550 58.000 -0.358 0.000 1.293 765 F CB -0.986 37.841 39.000 -0.289 0.000 1.013 765 F HN -0.147 nan 8.300 nan 0.000 0.486 766 L N -0.225 120.904 121.223 -0.156 0.000 2.027 766 L HA -0.119 4.221 4.340 -0.000 0.000 0.206 766 L C 2.170 178.835 176.870 -0.342 0.000 1.074 766 L CA 1.698 56.486 54.840 -0.086 0.000 0.745 766 L CB -1.012 41.096 42.059 0.082 0.000 0.898 766 L HN 0.028 nan 8.230 nan 0.000 0.433 767 V N -0.307 119.321 119.914 -0.477 0.000 2.343 767 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 767 V C 2.676 178.315 176.094 -0.759 0.000 1.051 767 V CA 1.643 63.540 62.300 -0.670 0.000 1.036 767 V CB -0.801 30.538 31.823 -0.806 0.000 0.654 767 V HN 0.503 nan 8.190 nan 0.000 0.451 768 Q N -0.994 118.184 119.800 -1.036 0.000 2.119 768 Q HA -0.088 4.252 4.340 -0.000 0.000 0.201 768 Q C 2.232 177.791 176.000 -0.735 0.000 0.972 768 Q CA 1.255 56.397 55.803 -1.101 0.000 0.847 768 Q CB -0.418 27.251 28.738 -1.781 0.000 0.903 768 Q HN 0.463 nan 8.270 nan 0.000 0.433 769 M N -0.012 119.214 119.600 -0.624 0.000 2.175 769 M HA -0.066 4.414 4.480 -0.000 0.000 0.264 769 M C 2.270 178.456 176.300 -0.190 0.000 1.063 769 M CA 1.082 56.221 55.300 -0.269 0.000 1.119 769 M CB -0.872 31.537 32.600 -0.319 0.000 1.377 769 M HN 0.160 nan 8.290 nan 0.000 0.415 770 L N -0.412 120.654 121.223 -0.262 0.000 2.027 770 L HA -0.126 4.214 4.340 -0.000 0.000 0.206 770 L C 2.707 179.479 176.870 -0.163 0.000 1.074 770 L CA 1.154 55.886 54.840 -0.178 0.000 0.745 770 L CB -0.900 41.065 42.059 -0.156 0.000 0.898 770 L HN 0.243 nan 8.230 nan 0.000 0.433 771 A N 0.224 122.899 122.820 -0.242 0.000 1.940 771 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 771 A C 1.966 179.371 177.584 -0.298 0.000 1.176 771 A CA 2.368 54.268 52.037 -0.228 0.000 0.631 771 A CB -0.641 18.180 19.000 -0.297 0.000 0.814 771 A HN 0.483 nan 8.150 nan 0.000 0.446 772 N N -2.398 116.020 118.700 -0.470 0.000 2.336 772 N HA 0.056 4.796 4.740 -0.000 0.000 0.177 772 N C 0.555 175.553 175.510 -0.853 0.000 1.018 772 N CA 1.344 53.926 53.050 -0.779 0.000 0.878 772 N CB -0.002 37.722 38.487 -1.273 0.000 0.997 772 N HN 0.624 nan 8.380 nan 0.000 0.433 773 Y N -1.422 118.822 120.300 -0.093 0.000 2.610 773 Y HA 0.396 4.946 4.550 -0.000 0.000 0.254 773 Y C -0.086 175.764 175.900 -0.084 0.000 1.110 773 Y CA -0.748 57.296 58.100 -0.094 0.000 1.238 773 Y CB -0.478 37.900 38.460 -0.136 0.000 1.322 773 Y HN -0.104 nan 8.280 nan 0.000 0.547 774 N N 0.672 119.379 118.700 0.012 0.000 2.782 774 N HA -0.190 4.550 4.740 -0.000 0.000 0.251 774 N C -0.718 174.787 175.510 -0.009 0.000 1.101 774 N CA 0.339 53.398 53.050 0.015 0.000 0.764 774 N CB -1.003 37.516 38.487 0.052 0.000 1.122 774 N HN 0.261 nan 8.380 nan 0.000 0.561 775 I N -0.198 120.340 120.570 -0.054 0.000 2.353 775 I HA 0.416 4.586 4.170 -0.000 0.000 0.293 775 I C 1.394 177.368 176.117 -0.239 0.000 0.992 775 I CA 0.365 61.564 61.300 -0.168 0.000 1.268 775 I CB 1.585 39.400 38.000 -0.309 0.000 1.387 775 I HN 0.271 nan 8.210 nan 0.000 0.478 776 G N 3.948 112.524 108.800 -0.374 0.000 3.685 776 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.215 776 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.215 776 G C 0.395 174.912 174.900 -0.638 0.000 0.987 776 G CA -0.248 44.462 45.100 -0.651 0.000 0.884 776 G HN 0.461 nan 8.290 nan 0.000 0.406 777 Y N 1.346 121.533 120.300 -0.188 0.000 2.544 777 Y HA 0.382 4.932 4.550 -0.000 0.000 0.286 777 Y C 2.085 177.915 175.900 -0.117 0.000 1.141 777 Y CA 1.088 59.108 58.100 -0.132 0.000 1.299 777 Y CB 0.528 38.948 38.460 -0.067 0.000 1.030 777 Y HN 0.251 nan 8.280 nan 0.000 0.543 778 Q N -0.061 119.745 119.800 0.010 0.000 2.333 778 Q HA 0.437 4.777 4.340 -0.000 0.000 0.365 778 Q C -0.074 175.943 176.000 0.029 0.000 0.882 778 Q CA -0.112 55.710 55.803 0.031 0.000 1.124 778 Q CB 1.064 29.847 28.738 0.076 0.000 1.345 778 Q HN 0.358 nan 8.270 nan 0.000 0.409 779 G N 0.512 109.246 108.800 -0.109 0.000 2.675 779 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.686 779 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.686 779 G C -1.205 173.611 174.900 -0.140 0.000 1.215 779 G CA -1.052 44.009 45.100 -0.065 0.000 0.777 779 G HN 0.130 nan 8.290 nan 0.000 0.638 780 F N 1.426 121.437 119.950 0.101 0.000 2.436 780 F HA 0.826 5.353 4.527 -0.000 0.000 0.340 780 F C 0.669 176.502 175.800 0.055 0.000 1.113 780 F CA -0.433 57.559 58.000 -0.013 0.000 1.022 780 F CB 1.592 40.675 39.000 0.139 0.000 1.128 780 F HN 0.736 nan 8.300 nan 0.000 0.466 781 Y N 0.103 120.496 120.300 0.156 0.000 2.656 781 Y HA 0.619 5.169 4.550 -0.000 0.000 0.334 781 Y C -1.041 174.735 175.900 -0.208 0.000 1.179 781 Y CA -2.094 56.003 58.100 -0.004 0.000 1.050 781 Y CB 0.479 38.921 38.460 -0.030 0.000 1.308 781 Y HN 0.341 nan 8.280 nan 0.000 0.456 782 I N 4.770 125.257 120.570 -0.138 0.000 2.668 782 I HA 0.125 4.295 4.170 -0.000 0.000 0.285 782 I C -1.908 173.967 176.117 -0.404 0.000 1.168 782 I CA -1.430 59.545 61.300 -0.541 0.000 1.424 782 I CB 0.501 38.310 38.000 -0.318 0.000 1.377 782 I HN 0.416 nan 8.210 nan 0.000 0.560 783 P HA 0.106 nan 4.420 nan 0.000 0.272 783 P C -0.703 176.364 177.300 -0.389 0.000 1.230 783 P CA -0.400 62.331 63.100 -0.616 0.000 0.788 783 P CB 0.568 31.497 31.700 -1.285 0.000 0.949 784 E N 0.349 120.360 120.200 -0.314 0.000 2.414 784 E HA 0.027 4.377 4.350 -0.000 0.000 0.263 784 E C 1.336 177.739 176.600 -0.328 0.000 1.000 784 E CA -0.011 56.217 56.400 -0.287 0.000 0.914 784 E CB 0.162 29.634 29.700 -0.381 0.000 0.948 784 E HN 0.301 nan 8.360 nan 0.000 0.444 785 S N 2.313 117.937 115.700 -0.126 0.000 2.381 785 S HA -0.296 4.174 4.470 -0.000 0.000 0.230 785 S C 1.777 176.369 174.600 -0.015 0.000 1.052 785 S CA 1.996 60.173 58.200 -0.038 0.000 1.068 785 S CB -0.523 62.703 63.200 0.043 0.000 0.918 785 S HN 0.694 nan 8.310 nan 0.000 0.448 786 Y N 1.156 121.466 120.300 0.018 0.000 2.497 786 Y HA 0.160 4.710 4.550 -0.000 0.000 0.292 786 Y C 1.649 177.586 175.900 0.061 0.000 1.137 786 Y CA 0.600 58.718 58.100 0.030 0.000 1.285 786 Y CB -0.444 38.030 38.460 0.022 0.000 0.991 786 Y HN 0.087 nan 8.280 nan 0.000 0.556 787 K N -0.348 119.826 120.400 -0.376 0.000 2.352 787 K HA 0.006 4.326 4.320 -0.000 0.000 0.194 787 K C -0.136 176.536 176.600 0.120 0.000 1.038 787 K CA 0.540 56.753 56.287 -0.124 0.000 1.023 787 K CB 0.257 32.633 32.500 -0.207 0.000 0.840 787 K HN 0.117 nan 8.250 nan 0.000 0.519 788 D N 2.128 122.554 120.400 0.043 0.000 2.638 788 D HA 0.046 4.686 4.640 -0.000 0.000 0.245 788 D C -0.050 176.320 176.300 0.116 0.000 1.176 788 D CA -0.260 53.833 54.000 0.155 0.000 0.996 788 D CB 0.232 41.033 40.800 0.001 0.000 1.012 788 D HN -0.092 nan 8.370 nan 0.000 0.515 789 R N 1.097 121.671 120.500 0.124 0.000 2.954 789 R HA 0.116 4.456 4.340 -0.000 0.000 0.276 789 R C 1.543 177.850 176.300 0.012 0.000 1.218 789 R CA -0.495 55.642 56.100 0.062 0.000 1.149 789 R CB -0.328 30.018 30.300 0.078 0.000 1.112 789 R HN 0.342 nan 8.270 nan 0.000 0.577 790 M N 0.064 119.599 119.600 -0.108 0.000 2.159 790 M HA -0.126 4.354 4.480 -0.000 0.000 0.263 790 M C 0.422 176.556 176.300 -0.277 0.000 1.063 790 M CA 1.847 56.983 55.300 -0.273 0.000 1.110 790 M CB 0.117 32.406 32.600 -0.519 0.000 1.374 790 M HN 0.419 nan 8.290 nan 0.000 0.411 791 Y N -0.167 120.171 120.300 0.064 0.000 2.571 791 Y HA 0.336 4.886 4.550 -0.000 0.000 0.275 791 Y C 0.733 176.683 175.900 0.083 0.000 1.179 791 Y CA -0.576 57.572 58.100 0.079 0.000 1.242 791 Y CB -0.355 38.149 38.460 0.074 0.000 1.126 791 Y HN 0.016 nan 8.280 nan 0.000 0.524 792 S N 0.209 116.027 115.700 0.196 0.000 2.632 792 S HA 0.063 4.533 4.470 -0.000 0.000 0.267 792 S C 0.951 175.696 174.600 0.241 0.000 1.276 792 S CA -0.666 57.655 58.200 0.201 0.000 0.998 792 S CB 0.616 63.972 63.200 0.259 0.000 0.953 792 S HN 0.374 nan 8.310 nan 0.000 0.547 793 F N 1.620 121.639 119.950 0.115 0.000 2.031 793 F HA -0.081 4.446 4.527 -0.000 0.000 0.295 793 F C 1.829 177.783 175.800 0.256 0.000 1.133 793 F CA 1.381 59.459 58.000 0.130 0.000 1.188 793 F CB -0.771 38.244 39.000 0.025 0.000 0.974 793 F HN 0.648 nan 8.300 nan 0.000 0.473 794 F N 1.414 121.207 119.950 -0.261 0.000 2.065 794 F HA -0.233 4.294 4.527 -0.000 0.000 0.298 794 F C 2.743 178.469 175.800 -0.125 0.000 1.112 794 F CA 2.316 60.106 58.000 -0.351 0.000 1.212 794 F CB -0.670 38.238 39.000 -0.154 0.000 0.975 794 F HN 0.019 nan 8.300 nan 0.000 0.476 795 R N 0.890 121.437 120.500 0.079 0.000 2.154 795 R HA -0.193 4.147 4.340 -0.000 0.000 0.248 795 R C 1.318 177.572 176.300 -0.076 0.000 1.155 795 R CA 2.222 58.330 56.100 0.013 0.000 0.979 795 R CB -0.712 29.634 30.300 0.077 0.000 0.869 795 R HN 0.356 nan 8.270 nan 0.000 0.452 796 N N -0.794 117.878 118.700 -0.047 0.000 2.205 796 N HA -0.030 4.710 4.740 -0.000 0.000 0.201 796 N C -0.765 174.767 175.510 0.036 0.000 1.128 796 N CA -0.086 52.973 53.050 0.016 0.000 0.867 796 N CB 0.263 38.817 38.487 0.112 0.000 0.996 796 N HN 0.079 nan 8.380 nan 0.000 0.503 797 F N 3.091 122.846 119.950 -0.324 0.000 2.471 797 F HA 0.175 4.702 4.527 -0.000 0.000 0.365 797 F C -0.032 175.650 175.800 -0.196 0.000 1.095 797 F CA -0.249 57.576 58.000 -0.292 0.000 1.174 797 F CB 0.530 39.128 39.000 -0.670 0.000 1.105 797 F HN -0.171 nan 8.300 nan 0.000 0.535 798 Q N 8.916 128.466 119.800 -0.416 0.000 2.674 798 Q HA 0.279 4.619 4.340 -0.000 0.000 0.249 798 Q C -2.643 173.106 176.000 -0.419 0.000 1.011 798 Q CA -1.932 53.623 55.803 -0.413 0.000 0.734 798 Q CB 1.447 30.088 28.738 -0.162 0.000 1.201 798 Q HN 0.449 nan 8.270 nan 0.000 0.498 799 P HA 0.268 nan 4.420 nan 0.000 0.275 799 P C -0.517 176.716 177.300 -0.112 0.000 1.227 799 P CA -0.105 62.803 63.100 -0.320 0.000 0.781 799 P CB 1.073 32.544 31.700 -0.381 0.000 0.906 800 M N 1.130 120.740 119.600 0.018 0.000 2.531 800 M HA 0.440 4.920 4.480 -0.000 0.000 0.286 800 M C -0.458 176.045 176.300 0.340 0.000 1.232 800 M CA -0.365 55.012 55.300 0.128 0.000 0.877 800 M CB 2.714 35.324 32.600 0.017 0.000 1.726 800 M HN 0.195 nan 8.290 nan 0.000 0.463 801 S N 0.526 116.472 115.700 0.410 0.000 2.579 801 S HA 0.874 5.344 4.470 -0.000 0.000 0.272 801 S C -1.476 173.174 174.600 0.083 0.000 1.141 801 S CA -0.954 57.427 58.200 0.303 0.000 0.843 801 S CB 2.730 66.008 63.200 0.129 0.000 1.122 801 S HN 0.792 nan 8.310 nan 0.000 0.468 802 R N 0.610 120.952 120.500 -0.264 0.000 2.728 802 R HA 0.695 5.035 4.340 -0.000 0.000 0.274 802 R C -2.118 173.965 176.300 -0.361 0.000 1.030 802 R CA -0.957 54.876 56.100 -0.445 0.000 0.876 802 R CB 0.739 30.426 30.300 -1.022 0.000 1.259 802 R HN 0.417 nan 8.270 nan 0.000 0.468 803 Q N 0.223 119.853 119.800 -0.283 0.000 2.351 803 Q HA 0.714 5.054 4.340 -0.000 0.000 0.273 803 Q C -1.175 174.699 176.000 -0.211 0.000 1.077 803 Q CA -0.681 54.999 55.803 -0.205 0.000 0.843 803 Q CB 2.894 31.550 28.738 -0.137 0.000 1.367 803 Q HN 0.609 nan 8.270 nan 0.000 0.449 804 V N -2.229 117.586 119.914 -0.165 0.000 3.120 804 V HA 0.698 4.818 4.120 -0.000 0.000 0.303 804 V C -0.363 175.660 176.094 -0.118 0.000 1.238 804 V CA -1.413 60.812 62.300 -0.127 0.000 1.008 804 V CB 1.225 32.980 31.823 -0.112 0.000 1.064 804 V HN 0.650 nan 8.190 nan 0.000 0.434 805 V N -0.440 119.413 119.914 -0.102 0.000 2.720 805 V HA 0.193 4.313 4.120 -0.000 0.000 0.307 805 V C 0.393 176.377 176.094 -0.184 0.000 1.071 805 V CA 0.443 62.635 62.300 -0.180 0.000 1.199 805 V CB 0.265 31.972 31.823 -0.193 0.000 0.900 805 V HN 1.056 nan 8.190 nan 0.000 0.494 806 D N 4.322 124.611 120.400 -0.186 0.000 2.374 806 D HA 0.043 4.683 4.640 -0.000 0.000 0.240 806 D C 1.103 177.257 176.300 -0.243 0.000 1.229 806 D CA -0.065 53.836 54.000 -0.164 0.000 0.895 806 D CB 0.962 41.702 40.800 -0.100 0.000 1.046 806 D HN 0.863 nan 8.370 nan 0.000 0.498 807 D N 1.566 121.712 120.400 -0.423 0.000 2.384 807 D HA -0.160 4.480 4.640 -0.000 0.000 0.222 807 D C 1.167 177.237 176.300 -0.383 0.000 0.976 807 D CA 0.633 54.145 54.000 -0.813 0.000 0.915 807 D CB -0.071 40.142 40.800 -0.977 0.000 0.896 807 D HN 0.415 nan 8.370 nan 0.000 0.523 808 T N -3.528 110.912 114.554 -0.190 0.000 3.044 808 T HA 0.253 4.603 4.350 -0.000 0.000 0.260 808 T C 1.400 176.073 174.700 -0.045 0.000 1.019 808 T CA -0.405 61.641 62.100 -0.090 0.000 0.921 808 T CB 0.356 69.184 68.868 -0.066 0.000 1.053 808 T HN 0.023 nan 8.240 nan 0.000 0.533 809 K N -0.496 119.884 120.400 -0.032 0.000 2.502 809 K HA 0.221 4.541 4.320 -0.000 0.000 0.211 809 K C -0.649 175.987 176.600 0.059 0.000 1.259 809 K CA -0.401 55.889 56.287 0.004 0.000 0.983 809 K CB 0.705 33.203 32.500 -0.003 0.000 1.054 809 K HN 0.300 nan 8.250 nan 0.000 0.572 810 Y N 3.440 123.689 120.300 -0.085 0.000 2.556 810 Y HA 0.102 4.652 4.550 -0.000 0.000 0.352 810 Y C 0.842 176.736 175.900 -0.011 0.000 1.006 810 Y CA -0.596 57.464 58.100 -0.068 0.000 1.277 810 Y CB 0.264 38.649 38.460 -0.125 0.000 1.136 810 Y HN -0.102 nan 8.280 nan 0.000 0.523 811 K N 2.293 122.520 120.400 -0.288 0.000 2.077 811 K HA -0.223 4.097 4.320 -0.000 0.000 0.213 811 K C 0.582 176.937 176.600 -0.408 0.000 1.051 811 K CA 2.154 58.269 56.287 -0.288 0.000 0.929 811 K CB 0.077 32.456 32.500 -0.202 0.000 0.715 811 K HN 0.689 nan 8.250 nan 0.000 0.451 812 D N -0.233 119.666 120.400 -0.836 0.000 2.319 812 D HA -0.060 4.580 4.640 -0.000 0.000 0.230 812 D C -0.036 176.057 176.300 -0.345 0.000 1.094 812 D CA 0.027 53.693 54.000 -0.556 0.000 0.856 812 D CB -0.320 40.214 40.800 -0.444 0.000 0.915 812 D HN 0.139 nan 8.370 nan 0.000 0.517 813 Y N 2.353 122.406 120.300 -0.413 0.000 2.811 813 Y HA -0.061 4.489 4.550 -0.000 0.000 0.334 813 Y C 0.097 176.057 175.900 0.100 0.000 1.247 813 Y CA 0.529 58.630 58.100 0.001 0.000 1.526 813 Y CB 0.353 38.841 38.460 0.046 0.000 1.284 813 Y HN -0.154 nan 8.280 nan 0.000 0.586 814 Q N 5.789 125.224 119.800 -0.608 0.000 2.263 814 Q HA 0.147 4.487 4.340 -0.000 0.000 0.266 814 Q C -1.340 174.263 176.000 -0.661 0.000 1.002 814 Q CA -0.706 54.826 55.803 -0.452 0.000 0.790 814 Q CB 2.005 30.677 28.738 -0.110 0.000 1.272 814 Q HN 0.786 nan 8.270 nan 0.000 0.435 815 Q N 2.409 121.920 119.800 -0.483 0.000 2.323 815 Q HA 0.418 4.758 4.340 -0.000 0.000 0.257 815 Q C -1.058 174.911 176.000 -0.051 0.000 1.022 815 Q CA -0.163 55.537 55.803 -0.171 0.000 0.919 815 Q CB 0.664 29.449 28.738 0.078 0.000 1.220 815 Q HN 0.360 nan 8.270 nan 0.000 0.427 816 V N 3.642 123.544 119.914 -0.020 0.000 2.487 816 V HA 0.592 4.712 4.120 -0.000 0.000 0.298 816 V C 0.552 176.602 176.094 -0.074 0.000 1.028 816 V CA -0.726 61.552 62.300 -0.036 0.000 0.860 816 V CB 1.567 33.345 31.823 -0.074 0.000 0.991 816 V HN 0.859 nan 8.190 nan 0.000 0.427 817 G N 2.275 111.064 108.800 -0.018 0.000 2.522 817 G HA2 0.504 4.464 3.960 -0.000 0.000 0.304 817 G HA3 0.504 4.464 3.960 -0.000 0.000 0.304 817 G C 0.853 175.679 174.900 -0.123 0.000 1.210 817 G CA -0.534 44.534 45.100 -0.053 0.000 0.960 817 G HN 0.741 nan 8.290 nan 0.000 0.497 818 I N -0.541 119.950 120.570 -0.131 0.000 2.236 818 I HA -0.218 3.952 4.170 -0.000 0.000 0.249 818 I C 2.487 178.529 176.117 -0.126 0.000 1.102 818 I CA 1.097 62.316 61.300 -0.136 0.000 1.365 818 I CB -0.990 36.952 38.000 -0.097 0.000 1.051 818 I HN 0.363 nan 8.210 nan 0.000 0.420 819 L N -0.263 120.856 121.223 -0.174 0.000 2.129 819 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 819 L C 1.682 178.292 176.870 -0.434 0.000 1.087 819 L CA 1.811 56.464 54.840 -0.311 0.000 0.757 819 L CB -0.711 41.088 42.059 -0.434 0.000 0.896 819 L HN 0.468 nan 8.230 nan 0.000 0.434 820 H N -2.593 116.494 119.070 0.030 0.000 2.785 820 H HA 0.232 4.788 4.556 -0.000 0.000 0.268 820 H C -0.127 175.191 175.328 -0.018 0.000 1.153 820 H CA -0.359 55.707 56.048 0.030 0.000 1.111 820 H CB 0.388 30.150 29.762 -0.001 0.000 1.633 820 H HN 0.293 nan 8.280 nan 0.000 0.576 821 Q N 1.367 121.159 119.800 -0.013 0.000 2.243 821 Q HA 0.299 4.639 4.340 -0.000 0.000 0.252 821 Q C -0.655 175.372 176.000 0.044 0.000 0.909 821 Q CA -0.670 55.060 55.803 -0.121 0.000 0.922 821 Q CB 1.159 29.689 28.738 -0.346 0.000 1.215 821 Q HN 0.528 nan 8.270 nan 0.000 0.427 822 H N -0.348 118.763 119.070 0.068 0.000 2.840 822 H HA 0.566 5.122 4.556 -0.000 0.000 0.340 822 H C -1.462 173.923 175.328 0.094 0.000 1.004 822 H CA -0.954 55.148 56.048 0.090 0.000 1.288 822 H CB 1.090 30.890 29.762 0.064 0.000 1.607 822 H HN 0.430 nan 8.280 nan 0.000 0.522 823 N N 3.145 121.992 118.700 0.244 0.000 2.519 823 N HA 0.182 4.922 4.740 -0.000 0.000 0.291 823 N C -0.744 174.933 175.510 0.278 0.000 1.107 823 N CA -0.377 52.777 53.050 0.173 0.000 0.904 823 N CB 0.912 39.354 38.487 -0.075 0.000 1.500 823 N HN 0.869 nan 8.380 nan 0.000 0.510 824 N N 0.229 119.105 118.700 0.294 0.000 2.882 824 N HA -0.156 4.584 4.740 -0.000 0.000 0.249 824 N C -0.672 175.046 175.510 0.346 0.000 1.079 824 N CA 1.043 54.328 53.050 0.393 0.000 0.800 824 N CB -1.455 37.231 38.487 0.333 0.000 1.124 824 N HN 0.734 nan 8.380 nan 0.000 0.557 825 S N -0.895 114.935 115.700 0.216 0.000 2.552 825 S HA 0.397 4.867 4.470 -0.000 0.000 0.289 825 S C 1.627 176.107 174.600 -0.201 0.000 1.304 825 S CA 0.979 59.201 58.200 0.037 0.000 1.063 825 S CB 1.542 64.734 63.200 -0.012 0.000 0.848 825 S HN 1.027 nan 8.310 nan 0.000 0.499 826 G N 1.975 110.598 108.800 -0.294 0.000 2.268 826 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.240 826 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.240 826 G C 0.242 174.751 174.900 -0.651 0.000 1.010 826 G CA 0.368 45.130 45.100 -0.564 0.000 0.618 826 G HN 0.777 nan 8.290 nan 0.000 0.516 827 F N 0.546 120.505 119.950 0.014 0.000 2.706 827 F HA 0.610 5.137 4.527 -0.000 0.000 0.308 827 F C 0.984 176.785 175.800 0.002 0.000 1.095 827 F CA -0.194 57.811 58.000 0.010 0.000 1.244 827 F CB 0.849 39.863 39.000 0.023 0.000 1.063 827 F HN 0.156 nan 8.300 nan 0.000 0.582 828 V N -0.931 119.056 119.914 0.122 0.000 3.126 828 V HA 0.766 4.886 4.120 -0.000 0.000 0.314 828 V C 0.523 176.629 176.094 0.020 0.000 1.138 828 V CA -1.222 61.120 62.300 0.070 0.000 1.034 828 V CB 1.506 33.388 31.823 0.099 0.000 1.075 828 V HN 0.078 nan 8.190 nan 0.000 0.442 829 G N -0.576 108.217 108.800 -0.011 0.000 2.599 829 G HA2 0.364 4.324 3.960 -0.000 0.000 0.264 829 G HA3 0.364 4.324 3.960 -0.000 0.000 0.264 829 G C -1.241 173.696 174.900 0.062 0.000 1.200 829 G CA -0.145 44.945 45.100 -0.018 0.000 0.896 829 G HN 0.684 nan 8.290 nan 0.000 0.536 830 Y N 1.019 121.272 120.300 -0.079 0.000 2.367 830 Y HA 0.364 4.914 4.550 -0.000 0.000 0.342 830 Y C 1.052 176.930 175.900 -0.036 0.000 0.979 830 Y CA -0.958 57.106 58.100 -0.059 0.000 1.161 830 Y CB 0.332 38.745 38.460 -0.079 0.000 1.155 830 Y HN 0.463 nan 8.280 nan 0.000 0.503 831 L N 4.196 125.183 121.223 -0.393 0.000 3.976 831 L HA -0.341 3.999 4.340 -0.000 0.000 0.418 831 L C -0.213 176.610 176.870 -0.078 0.000 1.177 831 L CA 0.788 55.416 54.840 -0.353 0.000 0.968 831 L CB -2.056 39.585 42.059 -0.696 0.000 1.933 831 L HN 0.720 nan 8.230 nan 0.000 0.976 832 A N -1.245 121.535 122.820 -0.067 0.000 2.601 832 A HA 0.727 5.047 4.320 -0.000 0.000 0.291 832 A C -2.467 175.039 177.584 -0.130 0.000 1.075 832 A CA -0.636 51.373 52.037 -0.046 0.000 0.671 832 A CB 1.210 20.208 19.000 -0.003 0.000 1.277 832 A HN -0.085 nan 8.150 nan 0.000 0.417 833 P HA 0.134 nan 4.420 nan 0.000 0.243 833 P C 0.343 177.512 177.300 -0.218 0.000 1.668 833 P CA 0.491 63.392 63.100 -0.332 0.000 0.898 833 P CB -0.580 30.831 31.700 -0.481 0.000 1.637 834 T N -3.979 110.478 114.554 -0.161 0.000 2.892 834 T HA 0.410 4.760 4.350 -0.000 0.000 0.280 834 T C 0.599 175.212 174.700 -0.146 0.000 1.004 834 T CA -1.106 60.903 62.100 -0.152 0.000 0.950 834 T CB 0.486 69.257 68.868 -0.162 0.000 1.309 834 T HN -0.009 nan 8.240 nan 0.000 0.592 835 M N 1.805 121.310 119.600 -0.158 0.000 2.245 835 M HA 0.109 4.589 4.480 -0.000 0.000 0.335 835 M C 0.337 176.572 176.300 -0.108 0.000 1.155 835 M CA -0.490 54.732 55.300 -0.131 0.000 1.055 835 M CB 0.418 32.929 32.600 -0.149 0.000 1.670 835 M HN 0.770 nan 8.290 nan 0.000 0.447 836 R N 3.564 124.021 120.500 -0.072 0.000 2.734 836 R HA 0.220 4.560 4.340 -0.000 0.000 0.266 836 R C -0.743 175.505 176.300 -0.086 0.000 1.044 836 R CA 0.051 56.119 56.100 -0.054 0.000 1.128 836 R CB 0.034 30.326 30.300 -0.014 0.000 1.010 836 R HN 0.747 nan 8.270 nan 0.000 0.461 837 E N -0.356 119.785 120.200 -0.098 0.000 2.437 837 E HA 0.584 4.934 4.350 -0.000 0.000 0.280 837 E C -0.436 176.068 176.600 -0.160 0.000 1.044 837 E CA -1.064 55.261 56.400 -0.125 0.000 0.826 837 E CB 0.988 30.619 29.700 -0.114 0.000 1.358 837 E HN 0.895 nan 8.360 nan 0.000 0.459 838 G N 0.552 109.242 108.800 -0.184 0.000 2.548 838 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.208 838 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.208 838 G C -1.149 173.602 174.900 -0.248 0.000 1.308 838 G CA -0.060 44.907 45.100 -0.221 0.000 0.924 838 G HN 0.974 nan 8.290 nan 0.000 0.540 839 Q N -0.992 118.647 119.800 -0.268 0.000 2.416 839 Q HA 0.783 5.123 4.340 -0.000 0.000 0.281 839 Q C -0.050 175.810 176.000 -0.233 0.000 1.067 839 Q CA -0.370 55.282 55.803 -0.251 0.000 0.809 839 Q CB 1.905 30.526 28.738 -0.196 0.000 1.418 839 Q HN 2.225 nan 8.270 nan 0.000 0.411 840 A N 1.613 124.311 122.820 -0.203 0.000 2.507 840 A HA 0.454 4.774 4.320 -0.000 0.000 0.235 840 A C -1.122 176.573 177.584 0.185 0.000 1.070 840 A CA 0.478 52.501 52.037 -0.024 0.000 0.768 840 A CB 0.044 19.115 19.000 0.118 0.000 1.011 840 A HN 0.672 nan 8.150 nan 0.000 0.502 841 Y N 0.316 120.622 120.300 0.011 0.000 2.643 841 Y HA 0.332 4.882 4.550 -0.000 0.000 0.347 841 Y C -2.446 173.501 175.900 0.079 0.000 1.208 841 Y CA -1.321 56.778 58.100 -0.002 0.000 1.245 841 Y CB 1.289 39.674 38.460 -0.125 0.000 1.369 841 Y HN 0.663 nan 8.280 nan 0.000 0.487 842 P HA 0.300 nan 4.420 nan 0.000 0.264 842 P C -0.666 176.747 177.300 0.188 0.000 1.183 842 P CA 0.140 63.230 63.100 -0.018 0.000 0.763 842 P CB 0.707 32.319 31.700 -0.147 0.000 0.807 843 A N 3.298 126.194 122.820 0.127 0.000 2.386 843 A HA 0.156 4.476 4.320 -0.000 0.000 0.248 843 A C 1.148 178.700 177.584 -0.054 0.000 1.082 843 A CA -0.322 51.769 52.037 0.090 0.000 0.789 843 A CB -0.127 18.862 19.000 -0.019 0.000 1.025 843 A HN 0.719 nan 8.150 nan 0.000 0.490 844 N N -0.247 118.298 118.700 -0.258 0.000 2.177 844 N HA 0.230 4.970 4.740 -0.000 0.000 0.218 844 N C -0.760 174.635 175.510 -0.192 0.000 1.182 844 N CA -0.074 52.816 53.050 -0.266 0.000 0.882 844 N CB 0.309 38.533 38.487 -0.439 0.000 1.052 844 N HN 0.418 nan 8.380 nan 0.000 0.519 845 F N 0.943 120.663 119.950 -0.384 0.000 2.650 845 F HA 0.601 5.128 4.527 -0.000 0.000 0.310 845 F C -2.880 172.648 175.800 -0.452 0.000 1.112 845 F CA -1.481 56.284 58.000 -0.393 0.000 0.986 845 F CB 2.154 40.976 39.000 -0.297 0.000 1.285 845 F HN -0.198 nan 8.300 nan 0.000 0.440 846 P HA 0.278 nan 4.420 nan 0.000 0.284 846 P C -1.422 175.495 177.300 -0.638 0.000 1.287 846 P CA -0.314 61.973 63.100 -1.354 0.000 0.824 846 P CB 1.249 32.248 31.700 -1.168 0.000 1.180 847 Y N -0.175 119.892 120.300 -0.388 0.000 2.411 847 Y HA 0.199 4.749 4.550 -0.000 0.000 0.333 847 Y C -1.442 174.335 175.900 -0.205 0.000 1.186 847 Y CA -1.260 56.713 58.100 -0.211 0.000 1.381 847 Y CB -0.993 37.372 38.460 -0.159 0.000 1.273 847 Y HN 0.213 nan 8.280 nan 0.000 0.546 848 P HA 0.141 nan 4.420 nan 0.000 0.276 848 P C -0.021 177.242 177.300 -0.062 0.000 1.243 848 P CA 0.171 63.250 63.100 -0.035 0.000 0.768 848 P CB 0.583 32.270 31.700 -0.020 0.000 0.856 849 L N 3.337 124.520 121.223 -0.066 0.000 2.640 849 L HA 0.299 4.639 4.340 -0.000 0.000 0.230 849 L C 0.934 177.765 176.870 -0.065 0.000 1.123 849 L CA 0.095 54.886 54.840 -0.082 0.000 0.900 849 L CB -0.128 41.881 42.059 -0.082 0.000 1.146 849 L HN 0.387 nan 8.230 nan 0.000 0.484 850 I N -4.047 116.493 120.570 -0.049 0.000 3.042 850 I HA 0.895 5.065 4.170 -0.000 0.000 0.310 850 I C 0.423 176.523 176.117 -0.029 0.000 1.117 850 I CA -0.634 60.644 61.300 -0.037 0.000 1.003 850 I CB 1.788 39.771 38.000 -0.028 0.000 1.228 850 I HN 0.045 nan 8.210 nan 0.000 0.443 851 G N 3.272 112.059 108.800 -0.023 0.000 2.693 851 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.226 851 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.226 851 G C 0.155 175.046 174.900 -0.014 0.000 1.354 851 G CA 0.253 45.344 45.100 -0.016 0.000 0.873 851 G HN 0.924 nan 8.290 nan 0.000 0.562 852 K N -0.230 120.166 120.400 -0.007 0.000 2.097 852 K HA -0.093 4.227 4.320 -0.000 0.000 0.206 852 K C 2.999 179.601 176.600 0.002 0.000 1.049 852 K CA 2.298 58.584 56.287 -0.001 0.000 0.933 852 K CB -0.446 32.056 32.500 0.004 0.000 0.717 852 K HN 0.795 nan 8.250 nan 0.000 0.442 853 T N -0.066 114.488 114.554 0.000 0.000 2.788 853 T HA -0.048 4.302 4.350 -0.000 0.000 0.268 853 T C 1.115 175.805 174.700 -0.016 0.000 1.044 853 T CA 0.556 62.659 62.100 0.006 0.000 1.139 853 T CB -0.428 68.442 68.868 0.004 0.000 0.867 853 T HN 0.182 nan 8.240 nan 0.000 0.454 854 A N 2.584 125.381 122.820 -0.037 0.000 2.584 854 A HA 0.437 4.757 4.320 -0.000 0.000 0.239 854 A C 0.737 178.248 177.584 -0.122 0.000 1.043 854 A CA -0.044 51.947 52.037 -0.077 0.000 0.756 854 A CB -0.417 18.544 19.000 -0.065 0.000 0.963 854 A HN 1.068 nan 8.150 nan 0.000 0.511 855 V N 1.849 121.618 119.914 -0.242 0.000 2.834 855 V HA 0.319 4.439 4.120 -0.000 0.000 0.301 855 V C 0.047 175.941 176.094 -0.333 0.000 1.066 855 V CA -1.033 60.971 62.300 -0.493 0.000 1.052 855 V CB 0.962 32.242 31.823 -0.906 0.000 1.021 855 V HN 0.789 nan 8.190 nan 0.000 0.480 856 D N 3.592 123.824 120.400 -0.280 0.000 2.487 856 D HA 0.230 4.870 4.640 -0.000 0.000 0.243 856 D C 0.409 176.609 176.300 -0.168 0.000 1.154 856 D CA 0.822 54.748 54.000 -0.123 0.000 0.876 856 D CB 0.972 41.772 40.800 -0.001 0.000 1.161 856 D HN 1.014 nan 8.370 nan 0.000 0.478 857 S N 2.028 117.653 115.700 -0.125 0.000 2.677 857 S HA 0.760 5.230 4.470 -0.000 0.000 0.304 857 S C -0.263 174.281 174.600 -0.093 0.000 1.108 857 S CA -0.970 57.155 58.200 -0.125 0.000 0.944 857 S CB 2.208 65.335 63.200 -0.122 0.000 1.127 857 S HN 0.473 nan 8.310 nan 0.000 0.511 858 I N 0.452 120.964 120.570 -0.096 0.000 2.730 858 I HA 0.526 4.696 4.170 -0.000 0.000 0.298 858 I C -1.078 174.989 176.117 -0.083 0.000 1.089 858 I CA -0.380 60.875 61.300 -0.076 0.000 1.041 858 I CB 2.376 40.333 38.000 -0.071 0.000 1.235 858 I HN 0.773 nan 8.210 nan 0.000 0.423 859 T N 5.618 120.137 114.554 -0.060 0.000 2.867 859 T HA 0.432 4.782 4.350 -0.000 0.000 0.282 859 T C -0.910 173.767 174.700 -0.038 0.000 1.000 859 T CA -0.475 61.588 62.100 -0.062 0.000 1.042 859 T CB 1.267 70.116 68.868 -0.032 0.000 0.973 859 T HN 0.498 nan 8.240 nan 0.000 0.465 860 Q N 1.875 121.637 119.800 -0.063 0.000 2.337 860 Q HA 0.527 4.867 4.340 -0.000 0.000 0.270 860 Q C -0.881 175.223 176.000 0.173 0.000 1.043 860 Q CA -0.791 55.034 55.803 0.036 0.000 0.794 860 Q CB 2.776 31.512 28.738 -0.004 0.000 1.281 860 Q HN 0.403 nan 8.270 nan 0.000 0.446 861 K N 1.992 122.541 120.400 0.249 0.000 2.316 861 K HA 0.536 4.856 4.320 -0.000 0.000 0.251 861 K C -0.985 175.788 176.600 0.288 0.000 0.934 861 K CA -0.487 55.975 56.287 0.291 0.000 0.802 861 K CB 1.733 34.349 32.500 0.192 0.000 1.171 861 K HN 0.626 nan 8.250 nan 0.000 0.426 862 K N 0.806 121.352 120.400 0.244 0.000 2.544 862 K HA 0.514 4.834 4.320 -0.000 0.000 0.282 862 K C -1.536 175.167 176.600 0.172 0.000 1.020 862 K CA -0.948 55.421 56.287 0.136 0.000 0.830 862 K CB 1.068 33.525 32.500 -0.071 0.000 1.521 862 K HN 0.422 nan 8.250 nan 0.000 0.376 863 F N -1.135 118.823 119.950 0.013 0.000 2.741 863 F HA 0.713 5.240 4.527 -0.000 0.000 0.311 863 F C -2.374 173.436 175.800 0.017 0.000 1.149 863 F CA -1.169 56.830 58.000 -0.002 0.000 0.930 863 F CB 1.037 40.136 39.000 0.166 0.000 1.312 863 F HN 0.355 nan 8.300 nan 0.000 0.450 864 L N 1.911 123.218 121.223 0.141 0.000 2.341 864 L HA 0.748 5.088 4.340 -0.000 0.000 0.267 864 L C -0.956 176.189 176.870 0.457 0.000 1.009 864 L CA -0.739 54.132 54.840 0.052 0.000 0.819 864 L CB 2.018 44.010 42.059 -0.112 0.000 1.323 864 L HN 1.020 nan 8.230 nan 0.000 0.425 865 C N 2.093 121.650 119.300 0.430 0.000 3.166 865 C HA 0.342 4.802 4.460 -0.000 0.000 0.277 865 C C -0.687 174.469 174.990 0.278 0.000 0.984 865 C CA -0.844 58.430 59.018 0.426 0.000 1.142 865 C CB -0.966 27.157 27.740 0.639 0.000 1.721 865 C HN 0.793 nan 8.230 nan 0.000 0.628 866 D N 1.658 122.239 120.400 0.301 0.000 2.371 866 D HA 0.226 4.866 4.640 -0.000 0.000 0.242 866 D C 0.981 177.508 176.300 0.378 0.000 1.218 866 D CA 0.134 54.368 54.000 0.390 0.000 0.945 866 D CB 0.436 41.537 40.800 0.503 0.000 1.137 866 D HN 0.726 nan 8.370 nan 0.000 0.464 867 R N -1.763 119.034 120.500 0.496 0.000 3.460 867 R HA -0.238 4.102 4.340 -0.000 0.000 0.254 867 R C -0.664 175.921 176.300 0.476 0.000 1.028 867 R CA 0.957 57.358 56.100 0.502 0.000 0.688 867 R CB -2.543 28.043 30.300 0.476 0.000 1.062 867 R HN 0.353 nan 8.270 nan 0.000 0.463 868 T N -0.281 114.452 114.554 0.299 0.000 2.865 868 T HA 0.716 5.066 4.350 -0.000 0.000 0.294 868 T C -0.998 173.593 174.700 -0.181 0.000 1.119 868 T CA -0.866 61.304 62.100 0.117 0.000 1.007 868 T CB 1.401 70.309 68.868 0.067 0.000 1.225 868 T HN 0.270 nan 8.240 nan 0.000 0.515 869 L N 1.899 122.954 121.223 -0.281 0.000 2.346 869 L HA 0.553 4.893 4.340 -0.000 0.000 0.276 869 L C -0.612 175.991 176.870 -0.444 0.000 1.006 869 L CA -0.972 53.562 54.840 -0.509 0.000 0.817 869 L CB 1.757 43.542 42.059 -0.456 0.000 1.272 869 L HN 0.716 nan 8.230 nan 0.000 0.421 870 W N 2.770 123.705 121.300 -0.608 0.000 2.181 870 W HA 0.339 4.999 4.660 -0.000 0.000 0.335 870 W C 0.244 176.369 176.519 -0.657 0.000 1.310 870 W CA -0.507 56.427 57.345 -0.685 0.000 1.226 870 W CB 0.610 29.312 29.460 -1.264 0.000 1.155 870 W HN 0.287 nan 8.180 nan 0.000 0.565 871 R N 3.178 123.555 120.500 -0.205 0.000 2.628 871 R HA 0.569 4.909 4.340 -0.000 0.000 0.288 871 R C -1.048 175.131 176.300 -0.201 0.000 0.980 871 R CA -0.956 55.026 56.100 -0.197 0.000 0.891 871 R CB 1.875 32.039 30.300 -0.226 0.000 1.188 871 R HN 0.435 nan 8.270 nan 0.000 0.450 872 I N 4.193 124.772 120.570 0.014 0.000 2.583 872 I HA 0.263 4.433 4.170 -0.000 0.000 0.276 872 I C -2.295 174.039 176.117 0.362 0.000 1.089 872 I CA -2.080 59.279 61.300 0.098 0.000 1.103 872 I CB 2.060 40.092 38.000 0.053 0.000 1.209 872 I HN 0.282 nan 8.210 nan 0.000 0.484 873 P HA 0.054 nan 4.420 nan 0.000 0.275 873 P C -0.481 177.115 177.300 0.493 0.000 1.228 873 P CA -0.254 63.003 63.100 0.261 0.000 0.786 873 P CB 1.009 32.812 31.700 0.172 0.000 0.927 874 F N 2.434 122.365 119.950 -0.032 0.000 2.640 874 F HA 0.299 4.826 4.527 -0.000 0.000 0.354 874 F C 0.353 176.194 175.800 0.068 0.000 1.213 874 F CA -0.147 57.822 58.000 -0.052 0.000 1.314 874 F CB -0.596 38.113 39.000 -0.486 0.000 1.679 874 F HN 0.119 nan 8.300 nan 0.000 0.622 875 S N 0.657 116.464 115.700 0.177 0.000 2.538 875 S HA 0.311 4.781 4.470 -0.000 0.000 0.288 875 S C 0.968 175.519 174.600 -0.082 0.000 1.108 875 S CA -0.070 58.140 58.200 0.016 0.000 0.971 875 S CB 1.252 64.491 63.200 0.065 0.000 1.041 875 S HN 0.504 nan 8.310 nan 0.000 0.483 876 S N 3.462 119.079 115.700 -0.138 0.000 2.420 876 S HA -0.181 4.289 4.470 -0.000 0.000 0.237 876 S C 0.923 175.327 174.600 -0.327 0.000 1.023 876 S CA 1.794 59.870 58.200 -0.206 0.000 0.991 876 S CB -0.630 62.486 63.200 -0.141 0.000 0.792 876 S HN 0.869 nan 8.310 nan 0.000 0.488 877 N N -0.554 118.005 118.700 -0.235 0.000 2.197 877 N HA 0.245 4.985 4.740 -0.000 0.000 0.228 877 N C 0.267 175.802 175.510 0.043 0.000 1.212 877 N CA -0.380 52.581 53.050 -0.149 0.000 0.883 877 N CB -0.965 37.496 38.487 -0.043 0.000 1.107 877 N HN 0.428 nan 8.380 nan 0.000 0.519 878 F N -1.242 118.786 119.950 0.129 0.000 2.825 878 F HA -0.306 4.221 4.527 -0.000 0.000 0.358 878 F C 0.453 176.280 175.800 0.044 0.000 0.639 878 F CA 0.526 58.586 58.000 0.100 0.000 1.153 878 F CB -1.464 37.575 39.000 0.065 0.000 1.610 878 F HN 0.082 nan 8.300 nan 0.000 0.305 879 M N 0.076 119.795 119.600 0.199 0.000 2.283 879 M HA 0.303 4.783 4.480 -0.000 0.000 0.314 879 M C 0.607 176.945 176.300 0.064 0.000 1.153 879 M CA 0.005 55.378 55.300 0.121 0.000 1.084 879 M CB 0.930 33.611 32.600 0.135 0.000 1.468 879 M HN -0.089 nan 8.290 nan 0.000 0.474 880 S N 2.202 117.922 115.700 0.032 0.000 2.411 880 S HA 0.405 4.875 4.470 -0.000 0.000 0.294 880 S C 0.216 174.827 174.600 0.018 0.000 1.115 880 S CA -0.414 57.791 58.200 0.010 0.000 1.071 880 S CB 0.285 63.477 63.200 -0.013 0.000 0.967 880 S HN 0.651 nan 8.310 nan 0.000 0.488 881 M N 2.392 122.001 119.600 0.015 0.000 2.504 881 M HA 0.327 4.807 4.480 -0.000 0.000 0.370 881 M C 0.514 176.822 176.300 0.014 0.000 1.110 881 M CA -0.202 55.107 55.300 0.015 0.000 0.938 881 M CB 0.974 33.580 32.600 0.010 0.000 1.460 881 M HN 0.817 nan 8.290 nan 0.000 0.535 882 G N -0.173 108.636 108.800 0.014 0.000 2.307 882 G HA2 0.285 4.245 3.960 -0.000 0.000 0.348 882 G HA3 0.285 4.245 3.960 -0.000 0.000 0.348 882 G C 0.095 175.016 174.900 0.035 0.000 1.603 882 G CA -0.498 44.617 45.100 0.025 0.000 0.961 882 G HN 0.098 nan 8.290 nan 0.000 0.686 883 A N 0.446 123.302 122.820 0.059 0.000 1.892 883 A HA 0.108 4.428 4.320 -0.000 0.000 0.218 883 A C 1.645 179.364 177.584 0.225 0.000 1.188 883 A CA 2.164 54.252 52.037 0.086 0.000 0.631 883 A CB -0.303 18.795 19.000 0.164 0.000 0.822 883 A HN 1.794 nan 8.150 nan 0.000 0.447 884 L N 2.286 123.680 121.223 0.285 0.000 2.334 884 L HA 0.292 4.632 4.340 -0.000 0.000 0.286 884 L C 0.903 177.841 176.870 0.113 0.000 1.108 884 L CA 0.311 55.303 54.840 0.253 0.000 0.875 884 L CB -0.430 41.672 42.059 0.073 0.000 1.246 884 L HN 0.432 nan 8.230 nan 0.000 0.439 885 T N 0.020 114.630 114.554 0.093 0.000 2.795 885 T HA 0.047 4.397 4.350 -0.000 0.000 0.314 885 T C 1.108 175.813 174.700 0.009 0.000 1.069 885 T CA 0.187 62.305 62.100 0.030 0.000 1.071 885 T CB 0.504 69.377 68.868 0.008 0.000 0.988 885 T HN 0.692 nan 8.240 nan 0.000 0.543 886 D N 1.227 121.612 120.400 -0.025 0.000 2.117 886 D HA -0.122 4.518 4.640 -0.000 0.000 0.198 886 D C 2.075 178.341 176.300 -0.056 0.000 0.982 886 D CA 1.106 55.087 54.000 -0.032 0.000 0.828 886 D CB -0.607 40.169 40.800 -0.039 0.000 0.967 886 D HN 0.567 nan 8.370 nan 0.000 0.464 887 L N 0.395 121.522 121.223 -0.160 0.000 2.141 887 L HA 0.065 4.405 4.340 -0.000 0.000 0.209 887 L C 2.673 179.398 176.870 -0.241 0.000 1.094 887 L CA 1.187 55.838 54.840 -0.315 0.000 0.763 887 L CB -0.682 40.816 42.059 -0.936 0.000 0.908 887 L HN 0.200 nan 8.230 nan 0.000 0.437 888 G N 0.006 108.774 108.800 -0.054 0.000 2.470 888 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.220 888 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.220 888 G C 1.241 176.197 174.900 0.094 0.000 1.121 888 G CA 0.414 45.567 45.100 0.089 0.000 0.766 888 G HN 0.594 nan 8.290 nan 0.000 0.553 889 Q N -0.328 119.513 119.800 0.068 0.000 2.179 889 Q HA 0.189 4.529 4.340 -0.000 0.000 0.213 889 Q C 0.176 176.240 176.000 0.106 0.000 0.833 889 Q CA -0.496 55.354 55.803 0.079 0.000 0.990 889 Q CB 0.145 28.908 28.738 0.041 0.000 1.132 889 Q HN 0.368 nan 8.270 nan 0.000 0.493 890 N N 1.078 119.878 118.700 0.166 0.000 2.497 890 N HA 0.061 4.801 4.740 -0.000 0.000 0.268 890 N C 0.731 176.360 175.510 0.198 0.000 1.171 890 N CA -0.097 53.071 53.050 0.196 0.000 0.948 890 N CB 0.660 39.336 38.487 0.316 0.000 1.069 890 N HN 0.158 nan 8.380 nan 0.000 0.460 891 L N 2.882 124.170 121.223 0.108 0.000 2.189 891 L HA -0.198 4.142 4.340 -0.000 0.000 0.214 891 L C 2.033 178.948 176.870 0.076 0.000 1.097 891 L CA 0.563 55.454 54.840 0.085 0.000 0.764 891 L CB -0.487 41.602 42.059 0.050 0.000 0.900 891 L HN 0.675 nan 8.230 nan 0.000 0.436 892 L N -0.820 120.418 121.223 0.025 0.000 2.042 892 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 892 L C 2.333 179.129 176.870 -0.123 0.000 1.076 892 L CA 1.954 56.735 54.840 -0.099 0.000 0.749 892 L CB -0.643 41.241 42.059 -0.291 0.000 0.893 892 L HN 0.106 nan 8.230 nan 0.000 0.432 893 Y N -0.444 119.866 120.300 0.015 0.000 2.153 893 Y HA 0.006 4.556 4.550 -0.000 0.000 0.289 893 Y C 2.592 178.587 175.900 0.158 0.000 1.127 893 Y CA 1.357 59.495 58.100 0.063 0.000 1.131 893 Y CB -1.066 37.467 38.460 0.121 0.000 0.995 893 Y HN 0.257 nan 8.280 nan 0.000 0.505 894 A N 0.600 123.592 122.820 0.287 0.000 1.898 894 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 894 A C 1.918 179.585 177.584 0.138 0.000 1.181 894 A CA 1.925 54.075 52.037 0.189 0.000 0.620 894 A CB -0.710 18.374 19.000 0.141 0.000 0.819 894 A HN 0.437 nan 8.150 nan 0.000 0.442 895 N N 0.451 119.223 118.700 0.121 0.000 2.120 895 N HA -0.054 4.686 4.740 -0.000 0.000 0.188 895 N C 0.669 176.231 175.510 0.087 0.000 1.024 895 N CA 1.327 54.429 53.050 0.086 0.000 0.852 895 N CB -0.279 38.247 38.487 0.066 0.000 1.003 895 N HN 0.580 nan 8.380 nan 0.000 0.424 896 S N -1.016 114.764 115.700 0.134 0.000 2.536 896 S HA 0.792 5.262 4.470 -0.000 0.000 0.287 896 S C -0.505 174.203 174.600 0.179 0.000 1.101 896 S CA -1.102 57.158 58.200 0.099 0.000 0.950 896 S CB 2.600 65.814 63.200 0.023 0.000 1.056 896 S HN 0.285 nan 8.310 nan 0.000 0.481 897 A N 1.898 124.761 122.820 0.072 0.000 2.445 897 A HA 0.607 4.927 4.320 -0.000 0.000 0.242 897 A C -0.368 177.253 177.584 0.061 0.000 1.075 897 A CA 0.078 52.189 52.037 0.123 0.000 0.777 897 A CB -0.303 18.711 19.000 0.024 0.000 1.013 897 A HN 0.940 nan 8.150 nan 0.000 0.493 898 H N -0.940 118.332 119.070 0.337 0.000 2.895 898 H HA 0.652 5.208 4.556 -0.000 0.000 0.373 898 H C -0.012 175.626 175.328 0.517 0.000 1.174 898 H CA 0.419 56.702 56.048 0.391 0.000 1.144 898 H CB 1.960 31.951 29.762 0.381 0.000 1.793 898 H HN 0.943 nan 8.280 nan 0.000 0.551 899 A N 1.703 124.802 122.820 0.465 0.000 2.312 899 A HA 0.638 4.958 4.320 -0.000 0.000 0.328 899 A C -1.287 176.495 177.584 0.330 0.000 1.158 899 A CA -0.521 51.728 52.037 0.353 0.000 0.821 899 A CB 0.687 19.800 19.000 0.189 0.000 1.170 899 A HN 0.495 nan 8.150 nan 0.000 0.490 900 L N 1.213 122.589 121.223 0.256 0.000 2.365 900 L HA 0.681 5.021 4.340 -0.000 0.000 0.273 900 L C -1.505 175.375 176.870 0.017 0.000 1.000 900 L CA -0.196 54.646 54.840 0.002 0.000 0.819 900 L CB 2.092 44.151 42.059 -0.000 0.000 1.284 900 L HN 0.628 nan 8.230 nan 0.000 0.418 901 D N 5.465 125.814 120.400 -0.086 0.000 2.646 901 D HA 0.528 5.168 4.640 -0.000 0.000 0.245 901 D C -0.924 175.301 176.300 -0.126 0.000 1.099 901 D CA -0.072 53.897 54.000 -0.051 0.000 0.849 901 D CB 2.393 43.175 40.800 -0.031 0.000 1.448 901 D HN 0.520 nan 8.370 nan 0.000 0.489 902 M N 0.799 120.335 119.600 -0.107 0.000 2.457 902 M HA 0.328 4.808 4.480 -0.000 0.000 0.300 902 M C -1.103 175.092 176.300 -0.174 0.000 1.141 902 M CA -0.456 54.709 55.300 -0.225 0.000 0.901 902 M CB 2.689 35.165 32.600 -0.206 0.000 1.687 902 M HN 0.091 nan 8.290 nan 0.000 0.449 903 T N 3.182 117.553 114.554 -0.305 0.000 2.906 903 T HA 0.561 4.911 4.350 -0.000 0.000 0.302 903 T C -1.162 173.363 174.700 -0.292 0.000 1.002 903 T CA -0.360 61.637 62.100 -0.172 0.000 0.988 903 T CB 0.430 69.226 68.868 -0.121 0.000 0.972 903 T HN 0.265 nan 8.240 nan 0.000 0.447 904 F N 1.960 121.820 119.950 -0.151 0.000 2.421 904 F HA 0.531 5.058 4.527 -0.000 0.000 0.337 904 F C 0.770 176.519 175.800 -0.086 0.000 1.105 904 F CA -1.097 56.827 58.000 -0.127 0.000 1.049 904 F CB 1.370 40.315 39.000 -0.093 0.000 1.139 904 F HN 0.454 nan 8.300 nan 0.000 0.479 905 E N 2.997 123.249 120.200 0.088 0.000 2.176 905 E HA 0.651 5.001 4.350 -0.000 0.000 0.267 905 E C -1.504 175.100 176.600 0.007 0.000 0.893 905 E CA -0.742 55.670 56.400 0.021 0.000 0.761 905 E CB 1.622 31.309 29.700 -0.021 0.000 1.133 905 E HN 0.532 nan 8.360 nan 0.000 0.409 906 V N 0.565 120.443 119.914 -0.060 0.000 3.141 906 V HA 0.546 4.666 4.120 -0.000 0.000 0.312 906 V C -0.646 175.376 176.094 -0.119 0.000 1.157 906 V CA -1.114 61.092 62.300 -0.157 0.000 1.041 906 V CB 1.872 33.500 31.823 -0.325 0.000 1.071 906 V HN 0.575 nan 8.190 nan 0.000 0.441 907 D N 3.134 123.450 120.400 -0.139 0.000 2.389 907 D HA 0.386 5.026 4.640 -0.000 0.000 0.247 907 D C -2.369 173.879 176.300 -0.087 0.000 1.128 907 D CA -0.882 53.065 54.000 -0.088 0.000 0.884 907 D CB 1.149 41.900 40.800 -0.082 0.000 1.194 907 D HN 0.654 nan 8.370 nan 0.000 0.441 908 P HA 0.180 nan 4.420 nan 0.000 0.275 908 P C -0.657 176.625 177.300 -0.029 0.000 1.227 908 P CA -0.261 62.816 63.100 -0.039 0.000 0.781 908 P CB 0.931 32.619 31.700 -0.019 0.000 0.906 909 M N 2.014 121.596 119.600 -0.029 0.000 2.395 909 M HA 0.171 4.651 4.480 -0.000 0.000 0.307 909 M C 0.146 176.446 176.300 0.001 0.000 1.091 909 M CA -0.608 54.686 55.300 -0.010 0.000 0.919 909 M CB 1.998 34.584 32.600 -0.024 0.000 1.662 909 M HN 0.248 nan 8.290 nan 0.000 0.440 910 D N 0.836 121.247 120.400 0.017 0.000 2.494 910 D HA 0.012 4.652 4.640 -0.000 0.000 0.249 910 D C -0.301 176.006 176.300 0.011 0.000 1.223 910 D CA 0.061 54.071 54.000 0.017 0.000 0.865 910 D CB -0.151 40.666 40.800 0.029 0.000 0.974 910 D HN 0.637 nan 8.370 nan 0.000 0.491 911 E N -1.843 118.360 120.200 0.004 0.000 2.390 911 E HA 0.398 4.748 4.350 -0.000 0.000 0.280 911 E C -3.259 173.335 176.600 -0.010 0.000 0.992 911 E CA -2.453 53.946 56.400 -0.001 0.000 0.790 911 E CB 0.939 30.642 29.700 0.006 0.000 1.248 911 E HN -0.224 nan 8.360 nan 0.000 0.447 912 P HA 0.063 nan 4.420 nan 0.000 0.263 912 P C -0.638 176.651 177.300 -0.018 0.000 1.195 912 P CA 0.473 63.562 63.100 -0.018 0.000 0.762 912 P CB 0.703 32.389 31.700 -0.022 0.000 0.799 913 T N 0.918 115.461 114.554 -0.020 0.000 2.773 913 T HA 0.805 5.155 4.350 -0.000 0.000 0.278 913 T C -0.794 173.902 174.700 -0.006 0.000 1.011 913 T CA -0.902 61.186 62.100 -0.019 0.000 1.014 913 T CB 0.884 69.727 68.868 -0.042 0.000 1.293 913 T HN 0.111 nan 8.240 nan 0.000 0.554 914 L N 0.646 121.877 121.223 0.013 0.000 2.455 914 L HA 0.572 4.912 4.340 -0.000 0.000 0.264 914 L C -1.385 175.542 176.870 0.096 0.000 0.968 914 L CA -1.214 53.653 54.840 0.046 0.000 0.827 914 L CB 2.281 44.359 42.059 0.031 0.000 1.317 914 L HN 0.602 nan 8.230 nan 0.000 0.407 915 L N 3.083 124.376 121.223 0.117 0.000 2.260 915 L HA 0.305 4.645 4.340 -0.000 0.000 0.289 915 L C -0.980 176.059 176.870 0.283 0.000 1.057 915 L CA 0.302 55.219 54.840 0.128 0.000 0.811 915 L CB 0.402 42.427 42.059 -0.057 0.000 1.184 915 L HN 0.492 nan 8.230 nan 0.000 0.429 916 Y N 5.878 126.269 120.300 0.153 0.000 2.434 916 Y HA 0.591 5.141 4.550 -0.000 0.000 0.341 916 Y C -0.975 175.020 175.900 0.157 0.000 0.965 916 Y CA -1.138 57.070 58.100 0.180 0.000 1.205 916 Y CB 1.040 39.623 38.460 0.205 0.000 1.121 916 Y HN 0.386 nan 8.280 nan 0.000 0.507 917 V N 7.492 127.631 119.914 0.376 0.000 2.417 917 V HA 0.269 4.389 4.120 -0.000 0.000 0.291 917 V C -0.339 175.784 176.094 0.047 0.000 1.024 917 V CA -0.881 61.482 62.300 0.105 0.000 0.861 917 V CB 1.539 33.422 31.823 0.101 0.000 0.985 917 V HN 0.625 nan 8.190 nan 0.000 0.436 918 L N 5.228 126.351 121.223 -0.168 0.000 2.265 918 L HA 0.512 4.852 4.340 -0.000 0.000 0.289 918 L C -0.682 176.099 176.870 -0.147 0.000 1.033 918 L CA 0.021 54.792 54.840 -0.115 0.000 0.814 918 L CB 0.935 42.854 42.059 -0.233 0.000 1.203 918 L HN 0.521 nan 8.230 nan 0.000 0.423 919 F N 2.046 121.983 119.950 -0.022 0.000 2.335 919 F HA 0.234 4.761 4.527 -0.000 0.000 0.365 919 F C 1.118 176.854 175.800 -0.107 0.000 1.122 919 F CA -0.560 57.426 58.000 -0.024 0.000 1.151 919 F CB 0.599 39.410 39.000 -0.315 0.000 1.282 919 F HN 0.434 nan 8.300 nan 0.000 0.513 920 E N 3.513 123.650 120.200 -0.106 0.000 2.351 920 E HA 0.310 4.660 4.350 -0.000 0.000 0.266 920 E C 0.009 176.477 176.600 -0.219 0.000 1.031 920 E CA -0.148 56.099 56.400 -0.255 0.000 0.911 920 E CB 0.900 30.359 29.700 -0.402 0.000 0.986 920 E HN 0.504 nan 8.360 nan 0.000 0.446 921 V N 0.165 119.969 119.914 -0.184 0.000 3.109 921 V HA 0.582 4.702 4.120 -0.000 0.000 0.311 921 V C -1.201 174.707 176.094 -0.311 0.000 1.389 921 V CA -1.079 61.171 62.300 -0.083 0.000 1.034 921 V CB 1.068 32.967 31.823 0.128 0.000 1.105 921 V HN 0.414 nan 8.190 nan 0.000 0.477 922 F N 1.000 120.948 119.950 -0.003 0.000 2.426 922 F HA 0.691 5.218 4.527 -0.000 0.000 0.348 922 F C -0.299 175.491 175.800 -0.015 0.000 1.124 922 F CA -0.145 57.837 58.000 -0.030 0.000 1.008 922 F CB 1.523 40.518 39.000 -0.007 0.000 1.139 922 F HN 0.583 nan 8.300 nan 0.000 0.452 923 D N 4.072 124.491 120.400 0.032 0.000 2.462 923 D HA 0.458 5.098 4.640 -0.000 0.000 0.249 923 D C -1.019 175.269 176.300 -0.020 0.000 1.117 923 D CA 0.021 54.013 54.000 -0.014 0.000 0.900 923 D CB 1.036 41.709 40.800 -0.211 0.000 1.039 923 D HN 0.152 nan 8.370 nan 0.000 0.516 924 V N 1.905 121.924 119.914 0.175 0.000 3.019 924 V HA 0.725 4.845 4.120 -0.000 0.000 0.317 924 V C -0.058 176.188 176.094 0.254 0.000 1.094 924 V CA -0.868 61.563 62.300 0.218 0.000 1.000 924 V CB 2.348 34.263 31.823 0.153 0.000 1.060 924 V HN 0.232 nan 8.190 nan 0.000 0.443 925 V N 1.796 121.818 119.914 0.181 0.000 2.851 925 V HA 0.541 4.661 4.120 -0.000 0.000 0.307 925 V C -0.579 175.504 176.094 -0.018 0.000 1.129 925 V CA -0.736 61.527 62.300 -0.062 0.000 0.932 925 V CB 2.072 33.709 31.823 -0.310 0.000 1.024 925 V HN 0.872 nan 8.190 nan 0.000 0.426 926 R N 2.591 123.057 120.500 -0.056 0.000 2.437 926 R HA 0.790 5.130 4.340 -0.000 0.000 0.310 926 R C -1.617 174.684 176.300 0.002 0.000 0.955 926 R CA -0.381 55.702 56.100 -0.027 0.000 0.851 926 R CB 1.923 32.207 30.300 -0.026 0.000 1.161 926 R HN 0.581 nan 8.270 nan 0.000 0.446 927 V N 4.543 124.485 119.914 0.046 0.000 2.435 927 V HA 0.306 4.426 4.120 -0.000 0.000 0.290 927 V C -0.127 176.053 176.094 0.142 0.000 1.030 927 V CA -0.621 61.735 62.300 0.093 0.000 0.881 927 V CB 1.290 33.191 31.823 0.130 0.000 0.983 927 V HN 0.722 nan 8.190 nan 0.000 0.445 928 H N 5.484 124.572 119.070 0.029 0.000 2.489 928 H HA 0.559 5.115 4.556 -0.000 0.000 0.343 928 H C -0.554 174.800 175.328 0.044 0.000 1.086 928 H CA -0.933 55.131 56.048 0.027 0.000 1.198 928 H CB 1.383 31.161 29.762 0.026 0.000 1.490 928 H HN 0.535 nan 8.280 nan 0.000 0.504 929 R N 5.670 125.993 120.500 -0.294 0.000 2.681 929 R HA 0.148 4.488 4.340 -0.000 0.000 0.277 929 R C -2.036 174.044 176.300 -0.366 0.000 1.563 929 R CA -1.539 54.426 56.100 -0.225 0.000 1.673 929 R CB 1.227 31.497 30.300 -0.049 0.000 1.258 929 R HN 0.576 nan 8.270 nan 0.000 0.650 930 P HA -0.155 nan 4.420 nan 0.000 0.216 930 P C -0.268 176.686 177.300 -0.577 0.000 1.150 930 P CA 1.528 64.305 63.100 -0.539 0.000 0.843 930 P CB 0.437 31.936 31.700 -0.336 0.000 0.787 931 H N -3.327 115.695 119.070 -0.080 0.000 2.977 931 H HA 0.407 4.963 4.556 -0.000 0.000 0.350 931 H C -0.046 175.271 175.328 -0.018 0.000 1.238 931 H CA -1.007 55.021 56.048 -0.034 0.000 1.124 931 H CB 1.149 30.898 29.762 -0.022 0.000 1.866 931 H HN -0.203 nan 8.280 nan 0.000 0.550 932 R N 0.695 121.272 120.500 0.129 0.000 2.537 932 R HA 0.135 4.475 4.340 -0.000 0.000 0.281 932 R C 0.472 176.772 176.300 -0.001 0.000 0.988 932 R CA 1.447 57.579 56.100 0.054 0.000 1.077 932 R CB -0.421 29.899 30.300 0.034 0.000 0.932 932 R HN 1.044 nan 8.270 nan 0.000 0.409 933 G N 2.472 111.224 108.800 -0.079 0.000 2.168 933 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.257 933 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.257 933 G C -0.342 174.509 174.900 -0.083 0.000 0.997 933 G CA 0.256 45.194 45.100 -0.271 0.000 0.708 933 G HN 0.510 nan 8.290 nan 0.000 0.520 934 V N 1.213 121.167 119.914 0.066 0.000 2.487 934 V HA 0.675 4.795 4.120 -0.000 0.000 0.298 934 V C 0.230 176.409 176.094 0.142 0.000 1.028 934 V CA -0.738 61.622 62.300 0.100 0.000 0.860 934 V CB 1.854 33.730 31.823 0.089 0.000 0.991 934 V HN 0.297 nan 8.190 nan 0.000 0.427 935 I N 4.400 125.067 120.570 0.161 0.000 2.439 935 I HA 0.518 4.688 4.170 -0.000 0.000 0.285 935 I C -0.418 175.776 176.117 0.129 0.000 1.021 935 I CA -0.438 60.946 61.300 0.140 0.000 1.091 935 I CB 1.992 40.084 38.000 0.154 0.000 1.242 935 I HN 0.601 nan 8.210 nan 0.000 0.439 936 E N 4.564 124.842 120.200 0.130 0.000 2.199 936 E HA 0.575 4.925 4.350 -0.000 0.000 0.269 936 E C -0.742 175.948 176.600 0.150 0.000 0.899 936 E CA -0.786 55.706 56.400 0.153 0.000 0.772 936 E CB 2.606 32.418 29.700 0.187 0.000 1.155 936 E HN 0.629 nan 8.360 nan 0.000 0.408 937 T N -1.633 113.008 114.554 0.145 0.000 2.893 937 T HA 0.606 4.956 4.350 -0.000 0.000 0.291 937 T C -0.573 174.199 174.700 0.121 0.000 1.028 937 T CA -0.792 61.367 62.100 0.099 0.000 0.995 937 T CB 1.370 70.285 68.868 0.079 0.000 1.051 937 T HN 0.146 nan 8.240 nan 0.000 0.470 938 V N 2.754 122.691 119.914 0.040 0.000 2.443 938 V HA 0.418 4.538 4.120 -0.000 0.000 0.293 938 V C -1.348 174.781 176.094 0.058 0.000 1.021 938 V CA -0.903 61.454 62.300 0.095 0.000 0.848 938 V CB 0.769 32.627 31.823 0.059 0.000 0.998 938 V HN 0.921 nan 8.190 nan 0.000 0.424 939 Y N 4.988 125.363 120.300 0.126 0.000 2.342 939 Y HA 0.753 5.303 4.550 -0.000 0.000 0.334 939 Y C -0.179 175.804 175.900 0.137 0.000 1.067 939 Y CA -0.688 57.510 58.100 0.162 0.000 1.128 939 Y CB 1.930 40.502 38.460 0.185 0.000 1.200 939 Y HN 0.531 nan 8.280 nan 0.000 0.464 940 L N 4.691 126.092 121.223 0.295 0.000 2.516 940 L HA 0.524 4.864 4.340 -0.000 0.000 0.267 940 L C -1.415 175.585 176.870 0.216 0.000 0.957 940 L CA -0.744 54.220 54.840 0.207 0.000 0.860 940 L CB 1.640 43.777 42.059 0.131 0.000 1.265 940 L HN 0.659 nan 8.230 nan 0.000 0.403 941 R N 3.375 123.993 120.500 0.196 0.000 2.435 941 R HA 0.736 5.076 4.340 -0.000 0.000 0.308 941 R C -1.499 174.907 176.300 0.176 0.000 0.975 941 R CA 0.005 56.220 56.100 0.193 0.000 0.867 941 R CB 1.270 31.684 30.300 0.191 0.000 1.171 941 R HN 0.826 nan 8.270 nan 0.000 0.470 942 T N 2.184 116.860 114.554 0.204 0.000 2.921 942 T HA 0.504 4.854 4.350 -0.000 0.000 0.297 942 T C -2.804 172.064 174.700 0.280 0.000 1.013 942 T CA -1.984 60.229 62.100 0.189 0.000 0.990 942 T CB 2.455 71.397 68.868 0.124 0.000 1.023 942 T HN 0.236 nan 8.240 nan 0.000 0.447 943 P HA 0.457 nan 4.420 nan 0.000 0.296 943 P C -0.409 177.047 177.300 0.260 0.000 1.295 943 P CA -0.479 62.721 63.100 0.167 0.000 0.754 943 P CB -0.074 31.692 31.700 0.110 0.000 1.311 944 F N -2.894 116.959 119.950 -0.163 0.000 2.807 944 F HA -0.196 4.331 4.527 -0.000 0.000 0.297 944 F C 0.370 176.140 175.800 -0.050 0.000 1.024 944 F CA 0.209 58.123 58.000 -0.142 0.000 1.008 944 F CB -2.620 36.307 39.000 -0.121 0.000 1.142 944 F HN -0.044 nan 8.300 nan 0.000 0.829 945 S N -0.095 115.628 115.700 0.038 0.000 2.593 945 S HA 0.582 5.052 4.470 -0.000 0.000 0.269 945 S C 1.269 175.905 174.600 0.060 0.000 1.334 945 S CA -0.171 58.066 58.200 0.061 0.000 1.015 945 S CB 1.632 64.846 63.200 0.024 0.000 0.912 945 S HN 0.571 nan 8.310 nan 0.000 0.541 946 A N 1.299 124.165 122.820 0.077 0.000 1.871 946 A HA 0.499 4.819 4.320 -0.000 0.000 0.211 946 A C 1.589 179.195 177.584 0.037 0.000 1.207 946 A CA 1.169 53.243 52.037 0.062 0.000 0.620 946 A CB -0.721 18.322 19.000 0.072 0.000 0.860 946 A HN 1.168 nan 8.150 nan 0.000 0.450 947 G N -2.490 106.334 108.800 0.041 0.000 4.203 947 G HA2 0.186 4.146 3.960 -0.000 0.000 0.197 947 G HA3 0.186 4.146 3.960 -0.000 0.000 0.197 947 G C -0.627 174.296 174.900 0.038 0.000 1.112 947 G CA 0.345 45.461 45.100 0.027 0.000 0.856 947 G HN 0.676 nan 8.290 nan 0.000 0.317 948 N N -0.913 117.819 118.700 0.053 0.000 5.369 948 N HA 0.467 5.207 4.740 -0.000 0.000 0.251 948 N C 0.227 175.774 175.510 0.061 0.000 1.419 948 N CA 1.312 54.403 53.050 0.067 0.000 1.661 948 N CB -0.898 37.621 38.487 0.054 0.000 1.309 948 N HN 2.127 nan 8.380 nan 0.000 0.773 949 A N -0.908 121.958 122.820 0.077 0.000 3.845 949 A HA -0.129 4.191 4.320 -0.000 0.000 0.201 949 A C 0.733 178.431 177.584 0.190 0.000 1.302 949 A CA 1.327 53.437 52.037 0.121 0.000 1.172 949 A CB -2.234 16.834 19.000 0.114 0.000 1.055 949 A HN 1.580 nan 8.150 nan 0.000 0.774 950 T N 0.000 114.646 114.554 0.154 0.000 3.816 950 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 950 T CA 0.000 62.190 62.100 0.149 0.000 1.349 950 T CB 0.000 68.927 68.868 0.097 0.000 0.612 950 T HN 0.000 nan 8.240 nan 0.000 0.658