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 2bvi_1_Q 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 IGXXXXXXKY ADKTFQPEPQ DATA SEQUENCE IGESQWYETE INHAAGRVLK KTTPMKPCYG SYAKPTNENG GQGILVXXXX DATA SEQUENCE XXXESQVEMQ FFSTTXXXXX XXXNLTPKVV LYSEDVDIET PDTHISYMPT DATA SEQUENCE IKEGNSRELM GQQSMPNRPN YIAFRDNFIG LMYYNSTGNM GVLAGQASQL DATA SEQUENCE NAVVDLQDRN TELSYQLLLD SIGDRTRYFS MWNQAVDSYD PDVRIIENHG DATA SEQUENCE TEDELPNYCF PLGGVINTET LTKVKPXXXX XXGWEKDAXX 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 SA 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 0.000 175.621 176.300 -1.131 0.000 1.140 5 M CA 0.000 54.516 55.300 -1.306 0.000 0.988 5 M CB 0.000 32.160 32.600 -0.733 0.000 1.302 6 M N 0.556 119.714 119.600 -0.736 0.000 5.905 6 M HA -0.275 4.205 4.480 0.000 0.000 0.326 6 M C -0.283 175.926 176.300 -0.151 0.000 0.705 6 M CA 2.897 58.019 55.300 -0.296 0.000 0.949 6 M CB -2.939 29.569 32.600 -0.153 0.000 1.421 6 M HN 0.738 nan 8.290 nan 0.000 0.862 7 P HA -0.257 nan 4.420 nan 0.000 0.216 7 P C 1.449 178.760 177.300 0.018 0.000 1.151 7 P CA 2.448 65.516 63.100 -0.052 0.000 0.953 7 P CB -0.477 31.171 31.700 -0.086 0.000 0.789 8 Q N -2.190 117.613 119.800 0.003 0.000 2.096 8 Q HA -0.197 4.143 4.340 0.000 0.000 0.204 8 Q C 2.307 178.472 176.000 0.276 0.000 0.982 8 Q CA 1.537 57.415 55.803 0.125 0.000 0.850 8 Q CB -0.660 28.154 28.738 0.128 0.000 0.901 8 Q HN 0.339 nan 8.270 nan 0.000 0.422 9 W N 1.250 122.559 121.300 0.014 0.000 2.333 9 W HA -0.165 4.495 4.660 0.000 0.000 0.316 9 W C 2.634 179.143 176.519 -0.017 0.000 1.215 9 W CA 1.342 58.692 57.345 0.008 0.000 1.278 9 W CB -1.249 28.221 29.460 0.018 0.000 1.154 9 W HN 0.125 nan 8.180 nan 0.000 0.486 10 S N -1.043 114.786 115.700 0.215 0.000 2.368 10 S HA -0.239 4.231 4.470 0.000 0.000 0.224 10 S C 1.666 176.172 174.600 -0.157 0.000 1.029 10 S CA 1.305 59.546 58.200 0.069 0.000 0.988 10 S CB -1.305 61.945 63.200 0.083 0.000 0.838 10 S HN 0.264 nan 8.310 nan 0.000 0.462 11 Y N 2.137 122.322 120.300 -0.192 0.000 2.128 11 Y HA -0.071 4.479 4.550 0.000 0.000 0.284 11 Y C 2.116 177.740 175.900 -0.460 0.000 1.154 11 Y CA 1.436 59.357 58.100 -0.298 0.000 1.149 11 Y CB -0.241 38.134 38.460 -0.142 0.000 0.976 11 Y HN 0.111 nan 8.280 nan 0.000 0.505 12 M N -0.724 118.775 119.600 -0.168 0.000 2.618 12 M HA -0.018 4.462 4.480 0.000 0.000 0.240 12 M C 0.072 176.285 176.300 -0.145 0.000 1.123 12 M CA 0.887 56.097 55.300 -0.151 0.000 1.060 12 M CB -1.124 31.506 32.600 0.050 0.000 1.535 12 M HN 0.423 nan 8.290 nan 0.000 0.507 13 H N -1.978 117.055 119.070 -0.061 0.000 3.109 13 H HA -0.146 4.410 4.556 0.000 0.000 0.245 13 H C 1.338 176.663 175.328 -0.005 0.000 1.187 13 H CA 0.830 56.847 56.048 -0.052 0.000 1.136 13 H CB -2.256 27.452 29.762 -0.089 0.000 1.243 13 H HN 0.368 nan 8.280 nan 0.000 0.328 14 I N 0.464 121.064 120.570 0.049 0.000 2.493 14 I HA -0.140 4.030 4.170 0.000 0.000 0.254 14 I C 1.460 177.539 176.117 -0.063 0.000 1.160 14 I CA 1.517 62.775 61.300 -0.069 0.000 1.445 14 I CB 0.194 38.047 38.000 -0.245 0.000 1.086 14 I HN 0.421 nan 8.210 nan 0.000 0.433 15 S N -1.478 114.263 115.700 0.069 0.000 2.705 15 S HA 0.828 5.298 4.470 0.000 0.000 0.280 15 S C -0.123 174.584 174.600 0.178 0.000 1.174 15 S CA -0.159 58.114 58.200 0.122 0.000 0.823 15 S CB 1.518 64.841 63.200 0.206 0.000 1.162 15 S HN 0.486 nan 8.310 nan 0.000 0.487 16 G N 0.714 109.617 108.800 0.172 0.000 2.466 16 G HA2 -0.036 3.924 3.960 0.000 0.000 0.218 16 G HA3 -0.036 3.924 3.960 0.000 0.000 0.218 16 G C -0.958 174.054 174.900 0.188 0.000 1.237 16 G CA -0.168 45.039 45.100 0.178 0.000 0.954 16 G HN 1.048 nan 8.290 nan 0.000 0.580 17 Q N 0.464 120.408 119.800 0.241 0.000 2.382 17 Q HA 0.502 4.842 4.340 0.000 0.000 0.229 17 Q C -0.599 175.570 176.000 0.281 0.000 1.006 17 Q CA -0.416 55.530 55.803 0.239 0.000 0.916 17 Q CB 0.684 29.568 28.738 0.243 0.000 1.235 17 Q HN 0.511 nan 8.270 nan 0.000 0.512 18 D N -0.367 120.082 120.400 0.081 0.000 2.283 18 D HA 0.194 4.834 4.640 0.000 0.000 0.248 18 D C 0.593 176.609 176.300 -0.473 0.000 1.072 18 D CA -0.044 53.910 54.000 -0.076 0.000 0.929 18 D CB 1.394 42.145 40.800 -0.082 0.000 1.182 18 D HN 0.647 nan 8.370 nan 0.000 0.433 19 A N 1.432 123.818 122.820 -0.723 0.000 1.958 19 A HA -0.248 4.072 4.320 0.000 0.000 0.221 19 A C 2.028 179.127 177.584 -0.807 0.000 1.178 19 A CA 2.608 53.897 52.037 -1.246 0.000 0.642 19 A CB -0.771 17.852 19.000 -0.630 0.000 0.816 19 A HN 0.585 nan 8.150 nan 0.000 0.453 20 S N -0.079 115.360 115.700 -0.436 0.000 2.419 20 S HA -0.186 4.284 4.470 0.000 0.000 0.233 20 S C 1.464 175.928 174.600 -0.227 0.000 1.016 20 S CA 1.504 59.538 58.200 -0.277 0.000 0.974 20 S CB -0.362 62.736 63.200 -0.170 0.000 0.786 20 S HN 0.765 nan 8.310 nan 0.000 0.492 21 E N 0.333 120.399 120.200 -0.223 0.000 2.251 21 E HA 0.063 4.413 4.350 0.000 0.000 0.194 21 E C 1.860 178.437 176.600 -0.039 0.000 0.964 21 E CA 0.697 57.040 56.400 -0.096 0.000 0.868 21 E CB -0.300 29.387 29.700 -0.023 0.000 0.828 21 E HN 0.866 nan 8.360 nan 0.000 0.481 22 Y N 0.886 121.158 120.300 -0.047 0.000 2.365 22 Y HA 0.235 4.785 4.550 0.000 0.000 0.293 22 Y C 0.812 176.675 175.900 -0.062 0.000 1.119 22 Y CA -0.156 57.929 58.100 -0.025 0.000 1.203 22 Y CB -0.510 37.974 38.460 0.041 0.000 1.026 22 Y HN -0.205 nan 8.280 nan 0.000 0.549 23 L N 1.846 122.963 121.223 -0.177 0.000 2.472 23 L HA 0.175 4.515 4.340 0.000 0.000 0.260 23 L C 1.008 177.821 176.870 -0.095 0.000 1.209 23 L CA -0.286 54.464 54.840 -0.150 0.000 0.817 23 L CB 0.452 42.257 42.059 -0.424 0.000 1.106 23 L HN 0.344 nan 8.230 nan 0.000 0.479 24 S N 0.796 116.451 115.700 -0.074 0.000 2.585 24 S HA 0.179 4.649 4.470 0.000 0.000 0.273 24 S C -1.800 172.762 174.600 -0.064 0.000 1.339 24 S CA -1.074 57.099 58.200 -0.046 0.000 1.028 24 S CB 1.033 64.217 63.200 -0.026 0.000 0.906 24 S HN 0.401 nan 8.310 nan 0.000 0.528 25 P HA 0.033 nan 4.420 nan 0.000 0.217 25 P C 1.702 178.991 177.300 -0.017 0.000 1.150 25 P CA 1.585 64.665 63.100 -0.034 0.000 0.832 25 P CB -0.549 31.140 31.700 -0.019 0.000 0.787 26 G N 0.325 109.121 108.800 -0.006 0.000 2.418 26 G HA2 -0.247 3.713 3.960 0.000 0.000 0.217 26 G HA3 -0.247 3.713 3.960 0.000 0.000 0.217 26 G C 1.482 176.409 174.900 0.045 0.000 1.158 26 G CA 0.641 45.755 45.100 0.023 0.000 0.771 26 G HN 0.240 nan 8.290 nan 0.000 0.545 27 L N 0.796 122.011 121.223 -0.013 0.000 2.046 27 L HA 0.009 4.349 4.340 0.000 0.000 0.208 27 L C 2.909 179.776 176.870 -0.005 0.000 1.077 27 L CA 1.418 56.239 54.840 -0.033 0.000 0.747 27 L CB -0.589 41.392 42.059 -0.130 0.000 0.896 27 L HN 0.077 nan 8.230 nan 0.000 0.432 28 V N -0.096 119.777 119.914 -0.068 0.000 2.287 28 V HA -0.375 3.745 4.120 0.000 0.000 0.248 28 V C 3.109 179.196 176.094 -0.011 0.000 1.053 28 V CA 2.384 64.636 62.300 -0.079 0.000 1.027 28 V CB -1.412 30.348 31.823 -0.106 0.000 0.646 28 V HN 0.721 nan 8.190 nan 0.000 0.447 29 Q N -0.863 118.947 119.800 0.017 0.000 2.030 29 Q HA -0.319 4.021 4.340 0.000 0.000 0.204 29 Q C 2.056 178.091 176.000 0.058 0.000 0.986 29 Q CA 2.345 58.165 55.803 0.027 0.000 0.843 29 Q CB -1.183 27.576 28.738 0.034 0.000 0.904 29 Q HN 0.695 nan 8.270 nan 0.000 0.420 30 F N 1.381 121.311 119.950 -0.032 0.000 2.091 30 F HA -0.050 4.477 4.527 0.000 0.000 0.299 30 F C 2.589 178.372 175.800 -0.028 0.000 1.103 30 F CA 1.716 59.706 58.000 -0.017 0.000 1.228 30 F CB -0.673 38.326 39.000 -0.002 0.000 0.984 30 F HN 0.350 nan 8.300 nan 0.000 0.477 31 A N 0.586 123.578 122.820 0.286 0.000 1.892 31 A HA -0.240 4.080 4.320 0.000 0.000 0.218 31 A C 2.425 180.003 177.584 -0.009 0.000 1.188 31 A CA 3.003 55.136 52.037 0.161 0.000 0.631 31 A CB -1.558 17.494 19.000 0.086 0.000 0.822 31 A HN 0.480 nan 8.150 nan 0.000 0.447 32 R N -0.820 119.659 120.500 -0.034 0.000 2.096 32 R HA 0.163 4.503 4.340 0.000 0.000 0.235 32 R C 2.487 178.719 176.300 -0.112 0.000 1.127 32 R CA 2.219 58.279 56.100 -0.067 0.000 0.968 32 R CB -1.647 28.622 30.300 -0.051 0.000 0.861 32 R HN 0.967 nan 8.270 nan 0.000 0.440 33 A N 0.664 123.388 122.820 -0.159 0.000 1.970 33 A HA -0.062 4.258 4.320 0.000 0.000 0.216 33 A C 2.519 179.906 177.584 -0.328 0.000 1.170 33 A CA 2.044 53.960 52.037 -0.202 0.000 0.645 33 A CB -0.494 18.382 19.000 -0.207 0.000 0.816 33 A HN 0.675 nan 8.150 nan 0.000 0.447 34 T N -3.340 110.913 114.554 -0.501 0.000 3.067 34 T HA 0.238 4.588 4.350 0.000 0.000 0.257 34 T C 1.708 176.010 174.700 -0.663 0.000 1.105 34 T CA 1.486 63.078 62.100 -0.847 0.000 1.104 34 T CB -0.349 68.132 68.868 -0.645 0.000 0.925 34 T HN 0.615 nan 8.240 nan 0.000 0.498 35 E N 2.518 122.530 120.200 -0.314 0.000 2.181 35 E HA -0.347 4.003 4.350 0.000 0.000 0.225 35 E C 2.227 178.730 176.600 -0.162 0.000 1.073 35 E CA 2.908 59.199 56.400 -0.182 0.000 0.916 35 E CB -2.264 27.370 29.700 -0.110 0.000 0.793 35 E HN 0.957 nan 8.360 nan 0.000 0.472 36 T N -2.336 112.140 114.554 -0.131 0.000 3.007 36 T HA -0.030 4.320 4.350 0.000 0.000 0.270 36 T C 1.813 176.562 174.700 0.082 0.000 1.107 36 T CA 1.622 63.718 62.100 -0.007 0.000 1.118 36 T CB -0.474 68.429 68.868 0.059 0.000 0.889 36 T HN 0.915 nan 8.240 nan 0.000 0.506 37 Y N -1.647 118.685 120.300 0.052 0.000 2.423 37 Y HA 0.685 5.235 4.550 0.000 0.000 0.257 37 Y C 0.162 176.190 175.900 0.213 0.000 1.087 37 Y CA -2.068 56.089 58.100 0.095 0.000 1.258 37 Y CB 0.645 39.147 38.460 0.069 0.000 1.237 37 Y HN 0.138 nan 8.280 nan 0.000 0.517 38 F N 2.040 121.897 119.950 -0.155 0.000 3.240 38 F HA 0.465 4.992 4.527 0.000 0.000 0.370 38 F C -0.858 174.903 175.800 -0.067 0.000 1.271 38 F CA -1.397 56.578 58.000 -0.042 0.000 1.224 38 F CB 0.945 39.976 39.000 0.053 0.000 1.624 38 F HN -0.006 nan 8.300 nan 0.000 0.658 39 S N 5.868 121.341 115.700 -0.378 0.000 2.525 39 S HA 0.592 5.062 4.470 0.000 0.000 0.278 39 S C 0.142 174.588 174.600 -0.255 0.000 1.234 39 S CA -0.541 57.513 58.200 -0.244 0.000 1.058 39 S CB 1.259 64.374 63.200 -0.142 0.000 0.983 39 S HN 0.754 nan 8.310 nan 0.000 0.495 40 L N 2.957 124.161 121.223 -0.032 0.000 2.766 40 L HA 0.262 4.602 4.340 0.000 0.000 0.242 40 L C 2.716 179.682 176.870 0.159 0.000 1.136 40 L CA 0.413 55.314 54.840 0.101 0.000 0.933 40 L CB -1.174 41.084 42.059 0.332 0.000 1.241 40 L HN 0.870 nan 8.230 nan 0.000 0.522 41 N N 1.729 120.473 118.700 0.074 0.000 2.094 41 N HA -0.255 4.485 4.740 0.000 0.000 0.191 41 N C 1.482 177.016 175.510 0.040 0.000 1.023 41 N CA 1.919 55.017 53.050 0.079 0.000 0.857 41 N CB -0.918 37.576 38.487 0.012 0.000 1.013 41 N HN 0.572 nan 8.380 nan 0.000 0.426 42 N N 0.499 119.172 118.700 -0.045 0.000 2.501 42 N HA -0.071 4.669 4.740 0.000 0.000 0.195 42 N C 0.375 175.791 175.510 -0.156 0.000 1.213 42 N CA 0.580 53.583 53.050 -0.080 0.000 0.864 42 N CB -0.008 38.429 38.487 -0.082 0.000 0.999 42 N HN 0.707 nan 8.380 nan 0.000 0.454 43 K N -0.507 119.720 120.400 -0.290 0.000 2.387 43 K HA 0.185 4.505 4.320 0.000 0.000 0.203 43 K C -0.826 175.256 176.600 -0.863 0.000 1.030 43 K CA -0.233 55.706 56.287 -0.580 0.000 1.099 43 K CB 0.213 32.304 32.500 -0.682 0.000 0.863 43 K HN 0.008 nan 8.250 nan 0.000 0.529 44 F N 2.994 122.939 119.950 -0.008 0.000 2.539 44 F HA 0.338 4.865 4.527 0.000 0.000 0.328 44 F C 0.088 175.892 175.800 0.007 0.000 1.148 44 F CA -1.262 56.748 58.000 0.017 0.000 0.940 44 F CB 1.363 40.352 39.000 -0.018 0.000 1.194 44 F HN -0.090 nan 8.300 nan 0.000 0.438 45 R N 1.578 122.181 120.500 0.172 0.000 2.539 45 R HA 0.446 4.786 4.340 0.000 0.000 0.275 45 R C -0.988 175.386 176.300 0.123 0.000 1.077 45 R CA -0.503 55.664 56.100 0.111 0.000 1.097 45 R CB 0.605 30.956 30.300 0.084 0.000 1.018 45 R HN 0.445 nan 8.270 nan 0.000 0.483 46 N N 3.526 122.271 118.700 0.076 0.000 2.524 46 N HA 0.277 5.017 4.740 0.000 0.000 0.261 46 N C -2.443 173.103 175.510 0.060 0.000 0.998 46 N CA -1.452 51.635 53.050 0.061 0.000 0.915 46 N CB 1.825 40.317 38.487 0.009 0.000 1.187 46 N HN 0.542 nan 8.380 nan 0.000 0.507 47 P HA 0.131 nan 4.420 nan 0.000 0.272 47 P C -0.430 176.889 177.300 0.032 0.000 1.223 47 P CA -0.107 63.029 63.100 0.061 0.000 0.784 47 P CB 0.506 32.262 31.700 0.094 0.000 0.923 48 T N -1.357 113.200 114.554 0.005 0.000 2.906 48 T HA 0.496 4.846 4.350 0.000 0.000 0.302 48 T C -0.582 174.108 174.700 -0.018 0.000 1.002 48 T CA -0.685 61.413 62.100 -0.003 0.000 0.988 48 T CB 0.317 69.180 68.868 -0.009 0.000 0.972 48 T HN 0.109 nan 8.240 nan 0.000 0.447 49 V N 2.836 122.747 119.914 -0.005 0.000 2.384 49 V HA 0.773 4.893 4.120 0.000 0.000 0.287 49 V C 0.849 176.941 176.094 -0.004 0.000 1.020 49 V CA -1.045 61.250 62.300 -0.009 0.000 0.850 49 V CB 1.120 32.953 31.823 0.018 0.000 0.987 49 V HN 1.233 nan 8.190 nan 0.000 0.436 50 A N 7.113 129.927 122.820 -0.011 0.000 2.386 50 A HA 0.698 5.018 4.320 0.000 0.000 0.248 50 A C -2.011 175.569 177.584 -0.007 0.000 1.082 50 A CA -0.931 51.102 52.037 -0.005 0.000 0.789 50 A CB -0.290 18.708 19.000 -0.004 0.000 1.025 50 A HN 0.711 nan 8.150 nan 0.000 0.490 51 P HA 0.234 nan 4.420 nan 0.000 0.275 51 P C 0.568 177.833 177.300 -0.059 0.000 1.228 51 P CA 0.055 63.110 63.100 -0.074 0.000 0.786 51 P CB 0.731 32.367 31.700 -0.107 0.000 0.927 52 T N -2.559 111.946 114.554 -0.081 0.000 3.023 52 T HA 0.162 4.512 4.350 0.000 0.000 0.253 52 T C 0.365 175.114 174.700 0.081 0.000 1.038 52 T CA 0.067 62.184 62.100 0.028 0.000 0.962 52 T CB -0.656 68.280 68.868 0.114 0.000 1.018 52 T HN 0.722 nan 8.240 nan 0.000 0.521 53 H N -1.919 117.182 119.070 0.052 0.000 3.016 53 H HA 0.629 5.185 4.556 0.000 0.000 0.362 53 H C -0.932 174.431 175.328 0.059 0.000 1.233 53 H CA -0.805 55.273 56.048 0.050 0.000 1.124 53 H CB 0.532 30.319 29.762 0.042 0.000 1.850 53 H HN -0.127 nan 8.280 nan 0.000 0.549 54 D N 0.423 120.945 120.400 0.204 0.000 2.870 54 D HA -0.149 4.491 4.640 0.000 0.000 0.228 54 D C 0.228 176.598 176.300 0.118 0.000 1.147 54 D CA 1.133 55.229 54.000 0.161 0.000 0.757 54 D CB -1.412 39.509 40.800 0.202 0.000 1.091 54 D HN 0.371 nan 8.370 nan 0.000 0.429 55 V N -1.313 118.676 119.914 0.125 0.000 3.161 55 V HA 0.094 4.214 4.120 0.000 0.000 0.221 55 V C 1.095 177.345 176.094 0.259 0.000 1.296 55 V CA 1.217 63.627 62.300 0.183 0.000 1.306 55 V CB 1.041 32.954 31.823 0.149 0.000 1.171 55 V HN 0.119 nan 8.190 nan 0.000 0.513 56 T N 1.007 115.647 114.554 0.142 0.000 2.932 56 T HA 0.496 4.846 4.350 0.000 0.000 0.289 56 T C -0.159 174.566 174.700 0.042 0.000 1.039 56 T CA -0.220 61.923 62.100 0.071 0.000 1.024 56 T CB 1.814 70.670 68.868 -0.019 0.000 1.090 56 T HN 0.384 nan 8.240 nan 0.000 0.496 57 T N 1.061 115.618 114.554 0.004 0.000 2.882 57 T HA 0.270 4.620 4.350 0.000 0.000 0.287 57 T C 0.321 174.977 174.700 -0.072 0.000 1.014 57 T CA -0.689 61.367 62.100 -0.073 0.000 1.049 57 T CB 0.745 69.530 68.868 -0.137 0.000 1.001 57 T HN 0.443 nan 8.240 nan 0.000 0.525 58 D N -0.007 120.331 120.400 -0.102 0.000 2.423 58 D HA 0.116 4.756 4.640 0.000 0.000 0.208 58 D C 0.673 176.927 176.300 -0.076 0.000 1.068 58 D CA 0.166 54.126 54.000 -0.066 0.000 0.860 58 D CB 0.390 41.160 40.800 -0.050 0.000 0.992 58 D HN 0.363 nan 8.370 nan 0.000 0.504 59 R N 0.328 120.749 120.500 -0.131 0.000 2.637 59 R HA 0.308 4.647 4.340 0.000 0.000 0.269 59 R C 0.461 176.728 176.300 -0.054 0.000 1.089 59 R CA -0.195 55.841 56.100 -0.107 0.000 1.177 59 R CB 0.471 30.665 30.300 -0.177 0.000 1.091 59 R HN -0.199 nan 8.270 nan 0.000 0.540 60 S N 0.849 116.534 115.700 -0.024 0.000 2.533 60 S HA 0.063 4.533 4.470 0.000 0.000 0.282 60 S C -0.639 173.963 174.600 0.004 0.000 1.304 60 S CA 0.027 58.221 58.200 -0.009 0.000 1.063 60 S CB 0.122 63.319 63.200 -0.005 0.000 0.881 60 S HN 0.464 nan 8.310 nan 0.000 0.493 61 Q N 3.217 123.016 119.800 -0.002 0.000 2.518 61 Q HA 0.218 4.558 4.340 0.000 0.000 0.254 61 Q C -1.346 174.647 176.000 -0.012 0.000 0.962 61 Q CA -0.769 55.033 55.803 -0.003 0.000 0.982 61 Q CB 0.781 29.539 28.738 0.033 0.000 1.516 61 Q HN 0.584 nan 8.270 nan 0.000 0.426 62 R N 3.010 123.491 120.500 -0.032 0.000 2.539 62 R HA 0.250 4.590 4.340 0.000 0.000 0.275 62 R C 0.727 177.044 176.300 0.027 0.000 1.077 62 R CA 0.120 56.212 56.100 -0.012 0.000 1.097 62 R CB 0.615 30.894 30.300 -0.035 0.000 1.018 62 R HN 0.729 nan 8.270 nan 0.000 0.483 63 L N 0.438 121.704 121.223 0.070 0.000 2.202 63 L HA 0.061 4.401 4.340 0.000 0.000 0.205 63 L C 0.674 177.684 176.870 0.233 0.000 1.083 63 L CA 1.037 55.957 54.840 0.133 0.000 0.790 63 L CB 0.043 42.156 42.059 0.089 0.000 0.942 63 L HN 0.486 nan 8.230 nan 0.000 0.452 64 T N 1.422 116.086 114.554 0.184 0.000 2.824 64 T HA 0.608 4.958 4.350 0.000 0.000 0.282 64 T C -0.494 174.289 174.700 0.138 0.000 0.993 64 T CA -0.362 61.874 62.100 0.228 0.000 0.967 64 T CB 2.171 71.179 68.868 0.234 0.000 0.960 64 T HN -0.092 nan 8.240 nan 0.000 0.441 65 L N 3.091 124.389 121.223 0.125 0.000 2.342 65 L HA 0.726 5.066 4.340 0.000 0.000 0.271 65 L C 0.133 176.760 176.870 -0.406 0.000 1.008 65 L CA -1.194 53.546 54.840 -0.166 0.000 0.818 65 L CB 2.026 43.938 42.059 -0.246 0.000 1.296 65 L HN 0.552 nan 8.230 nan 0.000 0.427 66 R N 1.398 121.495 120.500 -0.672 0.000 2.561 66 R HA 0.647 4.987 4.340 0.000 0.000 0.297 66 R C -1.981 173.864 176.300 -0.759 0.000 0.969 66 R CA -0.487 55.104 56.100 -0.848 0.000 0.879 66 R CB 1.445 31.119 30.300 -1.044 0.000 1.178 66 R HN 0.300 nan 8.270 nan 0.000 0.445 67 F N 3.519 123.334 119.950 -0.225 0.000 2.469 67 F HA 0.464 4.991 4.527 0.000 0.000 0.332 67 F C 0.157 176.055 175.800 0.165 0.000 1.103 67 F CA -1.212 56.793 58.000 0.009 0.000 0.979 67 F CB 1.449 40.504 39.000 0.091 0.000 1.137 67 F HN 0.258 nan 8.300 nan 0.000 0.463 68 I N 4.042 124.832 120.570 0.366 0.000 2.488 68 I HA 0.333 4.503 4.170 0.000 0.000 0.299 68 I C -2.168 174.133 176.117 0.305 0.000 0.984 68 I CA -3.555 57.924 61.300 0.298 0.000 1.250 68 I CB 0.798 38.879 38.000 0.136 0.000 1.389 68 I HN 0.286 nan 8.210 nan 0.000 0.488 69 P HA 0.111 nan 4.420 nan 0.000 0.271 69 P C 0.848 178.053 177.300 -0.159 0.000 1.216 69 P CA -0.033 62.839 63.100 -0.380 0.000 0.771 69 P CB 1.162 32.550 31.700 -0.520 0.000 0.864 70 V N 1.502 121.314 119.914 -0.169 0.000 2.649 70 V HA -0.039 4.081 4.120 0.000 0.000 0.248 70 V C 0.549 176.586 176.094 -0.095 0.000 1.054 70 V CA 1.794 64.051 62.300 -0.071 0.000 1.073 70 V CB -0.515 31.294 31.823 -0.023 0.000 0.699 70 V HN 0.659 nan 8.190 nan 0.000 0.463 71 D N -1.250 119.057 120.400 -0.156 0.000 2.977 71 D HA 0.583 5.223 4.640 0.000 0.000 0.220 71 D C -0.422 175.766 176.300 -0.186 0.000 1.267 71 D CA -0.081 53.834 54.000 -0.142 0.000 0.884 71 D CB 1.405 42.137 40.800 -0.113 0.000 1.667 71 D HN 0.178 nan 8.370 nan 0.000 0.536 72 R N 2.010 122.408 120.500 -0.171 0.000 2.744 72 R HA 0.844 5.184 4.340 0.000 0.000 0.279 72 R C -0.799 175.335 176.300 -0.277 0.000 0.977 72 R CA -0.827 55.142 56.100 -0.218 0.000 0.906 72 R CB 1.200 31.407 30.300 -0.156 0.000 1.197 72 R HN 0.577 nan 8.270 nan 0.000 0.463 73 E N 1.814 121.762 120.200 -0.420 0.000 2.502 73 E HA 0.145 4.495 4.350 0.000 0.000 0.261 73 E C -1.660 174.609 176.600 -0.552 0.000 0.974 73 E CA -0.873 55.296 56.400 -0.385 0.000 0.795 73 E CB 1.833 31.381 29.700 -0.253 0.000 1.385 73 E HN 0.628 nan 8.360 nan 0.000 0.400 74 D N 2.334 122.406 120.400 -0.546 0.000 2.352 74 D HA 0.141 4.781 4.640 0.000 0.000 0.245 74 D C -0.447 175.735 176.300 -0.197 0.000 1.224 74 D CA 0.480 54.227 54.000 -0.421 0.000 0.879 74 D CB 0.930 41.612 40.800 -0.197 0.000 1.057 74 D HN 0.154 nan 8.370 nan 0.000 0.491 75 T N 1.511 115.969 114.554 -0.160 0.000 2.889 75 T HA 0.527 4.877 4.350 0.000 0.000 0.278 75 T C 1.419 176.030 174.700 -0.148 0.000 0.995 75 T CA -0.033 61.959 62.100 -0.181 0.000 0.966 75 T CB 1.411 70.117 68.868 -0.271 0.000 1.237 75 T HN 0.302 nan 8.240 nan 0.000 0.591 76 A N 0.352 123.040 122.820 -0.220 0.000 1.873 76 A HA -0.107 4.213 4.320 0.000 0.000 0.218 76 A C 1.449 178.997 177.584 -0.059 0.000 1.193 76 A CA 2.164 54.115 52.037 -0.143 0.000 0.629 76 A CB -0.877 18.050 19.000 -0.122 0.000 0.826 76 A HN 0.932 nan 8.150 nan 0.000 0.447 77 Y N -1.761 118.542 120.300 0.004 0.000 2.675 77 Y HA 0.535 5.085 4.550 0.000 0.000 0.248 77 Y C 0.284 176.333 175.900 0.249 0.000 1.161 77 Y CA -0.446 57.706 58.100 0.087 0.000 1.203 77 Y CB -0.472 37.993 38.460 0.008 0.000 1.262 77 Y HN 0.349 nan 8.280 nan 0.000 0.544 78 S N -0.951 114.786 115.700 0.062 0.000 2.656 78 S HA 0.651 5.121 4.470 0.000 0.000 0.273 78 S C -2.044 172.716 174.600 0.268 0.000 1.168 78 S CA -0.722 57.646 58.200 0.280 0.000 0.817 78 S CB 2.287 65.659 63.200 0.287 0.000 1.146 78 S HN 0.246 nan 8.310 nan 0.000 0.475 79 Y N 0.381 120.823 120.300 0.237 0.000 2.386 79 Y HA 0.670 5.220 4.550 0.000 0.000 0.334 79 Y C -0.808 175.203 175.900 0.184 0.000 1.002 79 Y CA -0.492 57.718 58.100 0.184 0.000 1.068 79 Y CB 1.885 40.478 38.460 0.221 0.000 1.203 79 Y HN 0.967 nan 8.280 nan 0.000 0.443 80 K N 3.946 124.370 120.400 0.039 0.000 2.274 80 K HA 0.892 5.212 4.320 0.000 0.000 0.262 80 K C -1.622 174.996 176.600 0.030 0.000 0.961 80 K CA -0.561 55.751 56.287 0.041 0.000 0.833 80 K CB 1.190 33.625 32.500 -0.109 0.000 1.102 80 K HN 0.668 nan 8.250 nan 0.000 0.436 81 A N 4.349 127.239 122.820 0.116 0.000 2.343 81 A HA 0.565 4.885 4.320 0.000 0.000 0.308 81 A C -1.210 176.246 177.584 -0.214 0.000 1.092 81 A CA -0.798 51.199 52.037 -0.067 0.000 0.751 81 A CB 1.079 20.093 19.000 0.023 0.000 1.203 81 A HN 0.785 nan 8.150 nan 0.000 0.452 82 R N 2.287 122.533 120.500 -0.424 0.000 2.494 82 R HA 0.714 5.054 4.340 0.000 0.000 0.305 82 R C -1.783 174.240 176.300 -0.463 0.000 0.959 82 R CA -0.314 55.619 56.100 -0.279 0.000 0.864 82 R CB 0.811 31.035 30.300 -0.126 0.000 1.159 82 R HN 0.593 nan 8.270 nan 0.000 0.446 83 F N 0.234 120.256 119.950 0.119 0.000 2.611 83 F HA 0.403 4.930 4.527 0.000 0.000 0.324 83 F C 0.252 176.114 175.800 0.102 0.000 1.061 83 F CA -0.928 57.149 58.000 0.128 0.000 0.954 83 F CB 2.405 41.503 39.000 0.165 0.000 1.301 83 F HN 0.246 nan 8.300 nan 0.000 0.482 84 T N 3.231 117.947 114.554 0.270 0.000 3.149 84 T HA 0.276 4.626 4.350 0.000 0.000 0.373 84 T C -0.714 173.955 174.700 -0.052 0.000 1.364 84 T CA -0.317 61.866 62.100 0.138 0.000 1.110 84 T CB -0.025 68.921 68.868 0.130 0.000 1.127 84 T HN 0.352 nan 8.240 nan 0.000 0.576 85 L N 4.159 125.319 121.223 -0.105 0.000 2.485 85 L HA 0.571 4.911 4.340 0.000 0.000 0.279 85 L C 0.109 176.920 176.870 -0.098 0.000 1.124 85 L CA -0.302 54.287 54.840 -0.418 0.000 0.888 85 L CB -0.798 41.137 42.059 -0.206 0.000 1.217 85 L HN 0.559 nan 8.230 nan 0.000 0.464 86 A N 5.515 128.272 122.820 -0.106 0.000 2.287 86 A HA 0.675 4.995 4.320 0.000 0.000 0.317 86 A C -0.792 176.978 177.584 0.309 0.000 1.220 86 A CA -0.598 51.547 52.037 0.180 0.000 0.835 86 A CB 1.031 20.155 19.000 0.207 0.000 1.180 86 A HN 0.489 nan 8.150 nan 0.000 0.500 87 V N 3.564 123.664 119.914 0.311 0.000 2.294 87 V HA 0.473 4.593 4.120 0.000 0.000 0.272 87 V C 1.171 177.374 176.094 0.182 0.000 1.027 87 V CA -0.151 62.355 62.300 0.343 0.000 0.823 87 V CB 0.728 32.793 31.823 0.402 0.000 1.030 87 V HN 1.082 nan 8.190 nan 0.000 0.457 88 G N 3.221 112.070 108.800 0.081 0.000 2.664 88 G HA2 0.140 4.100 3.960 0.000 0.000 0.242 88 G HA3 0.140 4.100 3.960 0.000 0.000 0.242 88 G C -0.148 174.751 174.900 -0.002 0.000 1.225 88 G CA -0.446 44.658 45.100 0.006 0.000 0.849 88 G HN 0.642 nan 8.290 nan 0.000 0.581 89 D N 0.687 121.068 120.400 -0.032 0.000 2.443 89 D HA 0.014 4.654 4.640 0.000 0.000 0.239 89 D C 0.444 176.656 176.300 -0.146 0.000 1.136 89 D CA 0.491 54.459 54.000 -0.054 0.000 0.879 89 D CB 0.511 41.283 40.800 -0.047 0.000 1.195 89 D HN 0.422 nan 8.370 nan 0.000 0.443 90 N N 1.470 120.089 118.700 -0.136 0.000 2.818 90 N HA -0.187 4.553 4.740 0.000 0.000 0.250 90 N C -0.572 174.842 175.510 -0.160 0.000 1.108 90 N CA 0.776 53.679 53.050 -0.245 0.000 0.745 90 N CB -0.597 37.482 38.487 -0.680 0.000 1.104 90 N HN 0.540 nan 8.380 nan 0.000 0.557 91 R N -0.459 120.033 120.500 -0.014 0.000 2.740 91 R HA 0.739 5.079 4.340 0.000 0.000 0.273 91 R C -0.431 175.982 176.300 0.188 0.000 0.998 91 R CA -0.875 55.294 56.100 0.116 0.000 0.900 91 R CB 2.493 32.854 30.300 0.101 0.000 1.223 91 R HN -0.003 nan 8.270 nan 0.000 0.466 92 V N -0.466 119.607 119.914 0.265 0.000 2.841 92 V HA 0.711 4.831 4.120 0.000 0.000 0.310 92 V C -1.354 174.846 176.094 0.176 0.000 1.090 92 V CA -1.050 61.362 62.300 0.187 0.000 0.930 92 V CB 1.958 33.842 31.823 0.101 0.000 1.014 92 V HN 0.602 nan 8.190 nan 0.000 0.425 93 L N 2.589 123.821 121.223 0.014 0.000 2.381 93 L HA 0.700 5.040 4.340 0.000 0.000 0.274 93 L C -0.711 176.043 176.870 -0.195 0.000 0.988 93 L CA 0.054 54.753 54.840 -0.234 0.000 0.824 93 L CB 1.670 43.493 42.059 -0.392 0.000 1.263 93 L HN 0.921 nan 8.230 nan 0.000 0.410 94 D N 5.498 125.788 120.400 -0.182 0.000 2.380 94 D HA 0.122 4.762 4.640 0.000 0.000 0.230 94 D C 1.224 177.424 176.300 -0.167 0.000 1.154 94 D CA -0.314 53.610 54.000 -0.127 0.000 0.859 94 D CB 1.026 41.792 40.800 -0.057 0.000 1.045 94 D HN 0.582 nan 8.370 nan 0.000 0.495 95 M N 2.831 122.311 119.600 -0.199 0.000 2.192 95 M HA -0.210 4.270 4.480 0.000 0.000 0.259 95 M C 1.921 178.117 176.300 -0.172 0.000 1.071 95 M CA 0.932 56.089 55.300 -0.237 0.000 1.082 95 M CB -1.204 31.224 32.600 -0.288 0.000 1.373 95 M HN 0.512 nan 8.290 nan 0.000 0.408 96 A N -0.012 122.738 122.820 -0.116 0.000 2.076 96 A HA -0.105 4.215 4.320 0.000 0.000 0.220 96 A C 2.187 179.776 177.584 0.008 0.000 1.160 96 A CA 1.884 53.885 52.037 -0.060 0.000 0.653 96 A CB -0.732 18.256 19.000 -0.020 0.000 0.801 96 A HN 0.617 nan 8.150 nan 0.000 0.455 97 S N -0.368 115.331 115.700 -0.002 0.000 2.634 97 S HA 0.156 4.626 4.470 0.000 0.000 0.221 97 S C 0.655 175.318 174.600 0.105 0.000 0.952 97 S CA 0.413 58.662 58.200 0.081 0.000 0.930 97 S CB -1.008 62.224 63.200 0.054 0.000 0.780 97 S HN 0.641 nan 8.310 nan 0.000 0.498 98 T N -0.308 114.257 114.554 0.018 0.000 2.945 98 T HA 0.739 5.089 4.350 0.000 0.000 0.286 98 T C -0.747 173.984 174.700 0.051 0.000 1.025 98 T CA -0.815 61.248 62.100 -0.061 0.000 1.039 98 T CB 1.221 69.947 68.868 -0.237 0.000 1.068 98 T HN 0.701 nan 8.240 nan 0.000 0.497 99 Y N -1.451 118.761 120.300 -0.147 0.000 2.620 99 Y HA 0.646 5.196 4.550 0.000 0.000 0.331 99 Y C -2.227 173.559 175.900 -0.191 0.000 1.173 99 Y CA -2.365 55.643 58.100 -0.154 0.000 1.076 99 Y CB 0.524 39.114 38.460 0.217 0.000 1.336 99 Y HN 0.546 nan 8.280 nan 0.000 0.459 100 F N 1.968 122.057 119.950 0.231 0.000 2.404 100 F HA 0.340 4.867 4.527 0.000 0.000 0.358 100 F C 0.120 176.035 175.800 0.192 0.000 1.120 100 F CA -0.478 57.587 58.000 0.108 0.000 1.144 100 F CB 0.914 39.965 39.000 0.086 0.000 1.133 100 F HN 0.565 nan 8.300 nan 0.000 0.495 101 D N 4.379 125.014 120.400 0.391 0.000 2.316 101 D HA 0.454 5.094 4.640 0.000 0.000 0.245 101 D C -0.629 175.807 176.300 0.227 0.000 1.171 101 D CA 0.117 54.344 54.000 0.378 0.000 0.856 101 D CB 0.497 41.609 40.800 0.519 0.000 1.090 101 D HN 0.334 nan 8.370 nan 0.000 0.476 102 I N 3.706 124.371 120.570 0.157 0.000 2.509 102 I HA 0.480 4.650 4.170 0.000 0.000 0.293 102 I C 0.059 176.216 176.117 0.067 0.000 1.020 102 I CA -0.915 60.398 61.300 0.021 0.000 1.088 102 I CB 1.844 39.764 38.000 -0.135 0.000 1.267 102 I HN 0.152 nan 8.210 nan 0.000 0.430 103 R N 3.713 124.143 120.500 -0.115 0.000 2.621 103 R HA 0.844 5.184 4.340 0.000 0.000 0.292 103 R C -0.383 175.652 176.300 -0.441 0.000 0.969 103 R CA -0.795 55.122 56.100 -0.304 0.000 0.887 103 R CB 2.426 32.535 30.300 -0.319 0.000 1.180 103 R HN 0.887 nan 8.270 nan 0.000 0.450 104 G N 0.653 108.893 108.800 -0.934 0.000 2.561 104 G HA2 0.460 4.420 3.960 0.000 0.000 0.310 104 G HA3 0.460 4.420 3.960 0.000 0.000 0.310 104 G C -1.748 172.639 174.900 -0.854 0.000 1.292 104 G CA -0.441 44.175 45.100 -0.807 0.000 0.811 104 G HN 0.297 nan 8.290 nan 0.000 0.482 105 V N 0.156 119.883 119.914 -0.311 0.000 2.680 105 V HA 0.793 4.913 4.120 0.000 0.000 0.309 105 V C -0.724 175.532 176.094 0.271 0.000 1.052 105 V CA -0.687 61.607 62.300 -0.011 0.000 0.908 105 V CB 1.578 33.390 31.823 -0.018 0.000 1.001 105 V HN 0.974 nan 8.190 nan 0.000 0.431 106 L N 2.826 124.241 121.223 0.320 0.000 2.431 106 L HA 0.807 5.147 4.340 0.000 0.000 0.266 106 L C -1.372 175.550 176.870 0.087 0.000 0.978 106 L CA -0.089 54.868 54.840 0.194 0.000 0.822 106 L CB 2.189 44.317 42.059 0.115 0.000 1.310 106 L HN 0.678 nan 8.230 nan 0.000 0.409 107 D N 2.973 123.391 120.400 0.030 0.000 2.453 107 D HA 0.348 4.988 4.640 0.000 0.000 0.238 107 D C 0.584 176.814 176.300 -0.118 0.000 1.088 107 D CA -0.384 53.629 54.000 0.022 0.000 0.854 107 D CB 1.512 42.395 40.800 0.138 0.000 1.076 107 D HN 0.625 nan 8.370 nan 0.000 0.533 108 R N 2.156 122.511 120.500 -0.242 0.000 2.328 108 R HA 0.267 4.607 4.340 0.000 0.000 0.207 108 R C 1.352 177.543 176.300 -0.182 0.000 1.056 108 R CA 0.652 56.572 56.100 -0.300 0.000 1.016 108 R CB -0.190 29.756 30.300 -0.590 0.000 0.872 108 R HN 0.668 nan 8.270 nan 0.000 0.471 109 G N 0.074 108.781 108.800 -0.155 0.000 2.760 109 G HA2 -0.193 3.767 3.960 0.000 0.000 0.246 109 G HA3 -0.193 3.767 3.960 0.000 0.000 0.246 109 G C -2.103 172.723 174.900 -0.125 0.000 1.359 109 G CA -0.447 44.587 45.100 -0.110 0.000 0.861 109 G HN 0.030 nan 8.290 nan 0.000 0.541 110 P HA 0.027 nan 4.420 nan 0.000 0.231 110 P C 1.731 178.882 177.300 -0.249 0.000 1.168 110 P CA 2.240 65.256 63.100 -0.140 0.000 0.779 110 P CB -0.067 31.577 31.700 -0.094 0.000 0.844 111 T N -4.265 110.101 114.554 -0.313 0.000 3.148 111 T HA 0.019 4.369 4.350 0.000 0.000 0.253 111 T C 0.303 174.646 174.700 -0.595 0.000 1.134 111 T CA -0.479 61.219 62.100 -0.671 0.000 1.051 111 T CB -1.123 67.343 68.868 -0.670 0.000 0.959 111 T HN -0.121 nan 8.240 nan 0.000 0.525 112 F N 2.586 122.270 119.950 -0.444 0.000 2.472 112 F HA 0.499 5.026 4.527 0.000 0.000 0.364 112 F C 0.244 175.808 175.800 -0.392 0.000 1.090 112 F CA -1.083 56.699 58.000 -0.364 0.000 1.188 112 F CB 0.574 39.415 39.000 -0.265 0.000 1.105 112 F HN -0.006 nan 8.300 nan 0.000 0.536 113 K N 9.055 128.807 120.400 -1.080 0.000 2.803 113 K HA 0.311 4.631 4.320 0.000 0.000 0.229 113 K C -2.623 173.212 176.600 -1.274 0.000 1.084 113 K CA -1.744 53.851 56.287 -1.153 0.000 1.063 113 K CB 1.316 33.318 32.500 -0.830 0.000 1.254 113 K HN 0.267 nan 8.250 nan 0.000 0.551 114 P HA -0.014 nan 4.420 nan 0.000 0.286 114 P C -1.297 175.760 177.300 -0.404 0.000 1.577 114 P CA 0.389 62.951 63.100 -0.897 0.000 0.805 114 P CB -0.803 30.739 31.700 -0.263 0.000 1.706 115 Y N -5.480 114.491 120.300 -0.548 0.000 2.810 115 Y HA 0.562 5.112 4.550 0.000 0.000 0.355 115 Y C -1.060 174.712 175.900 -0.214 0.000 1.211 115 Y CA -1.376 56.584 58.100 -0.234 0.000 1.112 115 Y CB -0.143 38.234 38.460 -0.138 0.000 1.383 115 Y HN -0.374 nan 8.280 nan 0.000 0.458 116 S N 0.903 116.680 115.700 0.129 0.000 2.608 116 S HA 0.787 5.257 4.470 0.000 0.000 0.291 116 S C 0.332 175.045 174.600 0.189 0.000 1.146 116 S CA 0.117 58.340 58.200 0.037 0.000 1.043 116 S CB 1.033 64.233 63.200 0.001 0.000 1.037 116 S HN 1.827 nan 8.310 nan 0.000 0.520 117 G N 1.946 110.820 108.800 0.123 0.000 2.632 117 G HA2 -0.151 3.809 3.960 0.000 0.000 0.224 117 G HA3 -0.151 3.809 3.960 0.000 0.000 0.224 117 G C -0.449 174.557 174.900 0.177 0.000 1.341 117 G CA -0.291 44.911 45.100 0.170 0.000 0.880 117 G HN 0.919 nan 8.290 nan 0.000 0.566 118 T N -0.835 113.748 114.554 0.049 0.000 2.940 118 T HA 0.771 5.121 4.350 0.000 0.000 0.288 118 T C 1.088 175.654 174.700 -0.224 0.000 1.045 118 T CA 0.450 62.497 62.100 -0.089 0.000 1.018 118 T CB 1.939 70.557 68.868 -0.417 0.000 1.151 118 T HN 1.904 nan 8.240 nan 0.000 0.529 119 A N -0.218 122.347 122.820 -0.425 0.000 2.343 119 A HA 0.411 4.731 4.320 0.000 0.000 0.223 119 A C -0.507 176.564 177.584 -0.854 0.000 1.214 119 A CA 0.125 51.711 52.037 -0.753 0.000 0.900 119 A CB -0.089 18.279 19.000 -1.053 0.000 0.942 119 A HN 0.726 nan 8.150 nan 0.000 0.507 120 Y N 0.331 120.548 120.300 -0.139 0.000 2.331 120 Y HA 0.396 4.946 4.550 0.000 0.000 0.334 120 Y C 0.064 175.874 175.900 -0.150 0.000 0.960 120 Y CA -1.805 56.239 58.100 -0.093 0.000 1.130 120 Y CB 0.720 39.167 38.460 -0.021 0.000 1.164 120 Y HN 0.242 nan 8.280 nan 0.000 0.458 121 N N 0.956 119.703 118.700 0.079 0.000 2.714 121 N HA -0.228 4.512 4.740 0.000 0.000 0.253 121 N C 0.906 176.452 175.510 0.060 0.000 1.024 121 N CA 0.799 53.894 53.050 0.074 0.000 0.726 121 N CB -0.710 37.845 38.487 0.114 0.000 0.908 121 N HN 0.915 nan 8.380 nan 0.000 0.542 122 A N -0.243 122.589 122.820 0.021 0.000 2.019 122 A HA -0.043 4.277 4.320 0.000 0.000 0.219 122 A C 2.179 179.915 177.584 0.254 0.000 1.164 122 A CA 1.046 53.155 52.037 0.121 0.000 0.644 122 A CB -0.092 18.938 19.000 0.049 0.000 0.805 122 A HN 0.439 nan 8.150 nan 0.000 0.449 123 L N -0.786 120.535 121.223 0.164 0.000 2.492 123 L HA 0.144 4.484 4.340 0.000 0.000 0.223 123 L C 1.414 178.372 176.870 0.147 0.000 1.132 123 L CA 0.031 54.953 54.840 0.138 0.000 0.850 123 L CB -0.466 41.648 42.059 0.093 0.000 0.966 123 L HN 0.353 nan 8.230 nan 0.000 0.454 124 A N 1.150 124.089 122.820 0.199 0.000 2.440 124 A HA 0.372 4.692 4.320 0.000 0.000 0.251 124 A C -2.126 175.542 177.584 0.141 0.000 1.089 124 A CA -1.148 50.995 52.037 0.176 0.000 0.779 124 A CB -0.462 18.656 19.000 0.196 0.000 1.022 124 A HN -0.063 nan 8.150 nan 0.000 0.492 125 P HA 0.044 nan 4.420 nan 0.000 0.265 125 P C 0.265 177.540 177.300 -0.042 0.000 1.193 125 P CA 0.107 63.205 63.100 -0.003 0.000 0.765 125 P CB 0.402 32.108 31.700 0.009 0.000 0.823 126 K N 1.799 122.088 120.400 -0.185 0.000 2.442 126 K HA -0.091 4.229 4.320 0.000 0.000 0.200 126 K C 1.704 178.248 176.600 -0.094 0.000 1.045 126 K CA 1.557 57.687 56.287 -0.261 0.000 0.937 126 K CB -0.415 31.829 32.500 -0.426 0.000 0.757 126 K HN 0.628 nan 8.250 nan 0.000 0.474 127 G N 0.387 109.157 108.800 -0.050 0.000 2.944 127 G HA2 0.222 4.182 3.960 0.000 0.000 0.223 127 G HA3 0.222 4.182 3.960 0.000 0.000 0.223 127 G C 0.197 175.100 174.900 0.005 0.000 1.071 127 G CA -0.020 45.066 45.100 -0.022 0.000 0.806 127 G HN 0.260 nan 8.290 nan 0.000 0.538 128 A N 1.518 124.356 122.820 0.030 0.000 2.511 128 A HA 0.568 4.888 4.320 0.000 0.000 0.242 128 A C -2.209 175.423 177.584 0.080 0.000 1.069 128 A CA -0.428 51.648 52.037 0.066 0.000 0.763 128 A CB 0.328 19.382 19.000 0.090 0.000 1.001 128 A HN 0.209 nan 8.150 nan 0.000 0.498 129 P HA 0.311 nan 4.420 nan 0.000 0.287 129 P C -0.799 176.593 177.300 0.153 0.000 1.290 129 P CA -1.030 62.127 63.100 0.094 0.000 0.889 129 P CB 0.973 32.695 31.700 0.037 0.000 1.190 130 N N 1.008 119.785 118.700 0.128 0.000 2.503 130 N HA 0.210 4.950 4.740 0.000 0.000 0.267 130 N C -2.207 173.408 175.510 0.174 0.000 1.214 130 N CA -1.187 51.940 53.050 0.129 0.000 0.959 130 N CB -0.311 38.232 38.487 0.093 0.000 1.142 130 N HN 0.241 nan 8.380 nan 0.000 0.455 131 P HA 0.038 nan 4.420 nan 0.000 0.261 131 P C -0.178 177.228 177.300 0.176 0.000 1.203 131 P CA -0.115 63.080 63.100 0.158 0.000 0.767 131 P CB -0.038 31.700 31.700 0.064 0.000 0.785 132 C N 1.963 121.424 119.300 0.268 0.000 3.119 132 C HA 0.767 5.227 4.460 0.000 0.000 0.359 132 C C -0.540 174.657 174.990 0.345 0.000 1.486 132 C CA -0.862 58.316 59.018 0.266 0.000 1.556 132 C CB 1.645 29.535 27.740 0.250 0.000 2.063 132 C HN 0.495 nan 8.230 nan 0.000 0.454 133 E N -0.707 119.699 120.200 0.344 0.000 2.331 133 E HA 0.616 4.966 4.350 0.000 0.000 0.275 133 E C -1.706 175.150 176.600 0.427 0.000 0.895 133 E CA -0.166 56.418 56.400 0.306 0.000 0.753 133 E CB 2.314 32.101 29.700 0.145 0.000 1.216 133 E HN 0.865 nan 8.360 nan 0.000 0.434 134 W N 0.921 122.287 121.300 0.110 0.000 2.988 134 W HA 0.585 5.245 4.660 0.000 0.000 0.355 134 W C -1.341 175.248 176.519 0.116 0.000 1.233 134 W CA -0.639 56.753 57.345 0.079 0.000 1.176 134 W CB 0.488 29.965 29.460 0.029 0.000 1.477 134 W HN 0.180 nan 8.180 nan 0.000 0.582 166 H N 0.474 119.170 119.070 -0.623 0.000 2.496 166 H HA 0.852 5.408 4.556 0.000 0.000 0.342 166 H C -0.171 174.784 175.328 -0.622 0.000 1.170 166 H CA -0.754 54.827 56.048 -0.780 0.000 1.274 166 H CB 1.178 30.113 29.762 -1.378 0.000 1.538 166 H HN 0.359 nan 8.280 nan 0.000 0.542 167 V N 2.066 121.833 119.914 -0.244 0.000 2.789 167 V HA 0.321 4.441 4.120 0.000 0.000 0.311 167 V C -1.412 174.759 176.094 0.127 0.000 1.073 167 V CA -0.755 61.512 62.300 -0.054 0.000 0.921 167 V CB 1.986 33.735 31.823 -0.124 0.000 1.009 167 V HN 0.653 nan 8.190 nan 0.000 0.426 168 F N 4.049 124.068 119.950 0.115 0.000 2.716 168 F HA 0.823 5.350 4.527 0.000 0.000 0.354 168 F C 0.147 175.993 175.800 0.077 0.000 1.168 168 F CA 0.076 58.169 58.000 0.155 0.000 1.045 168 F CB 1.379 40.570 39.000 0.319 0.000 1.311 168 F HN 0.626 nan 8.300 nan 0.000 0.477 169 G N 3.748 112.294 108.800 -0.423 0.000 2.815 169 G HA2 0.530 4.490 3.960 0.000 0.000 0.305 169 G HA3 0.530 4.490 3.960 0.000 0.000 0.305 169 G C -2.108 172.586 174.900 -0.342 0.000 1.277 169 G CA -0.719 44.206 45.100 -0.293 0.000 0.795 169 G HN 0.556 nan 8.290 nan 0.000 0.528 170 Q N -1.294 118.396 119.800 -0.184 0.000 2.340 170 Q HA 0.606 4.946 4.340 0.000 0.000 0.276 170 Q C -1.677 174.285 176.000 -0.064 0.000 1.048 170 Q CA -0.919 54.807 55.803 -0.130 0.000 0.832 170 Q CB 2.255 30.942 28.738 -0.085 0.000 1.373 170 Q HN 1.053 nan 8.270 nan 0.000 0.409 171 A N 4.110 126.904 122.820 -0.044 0.000 2.586 171 A HA 0.510 4.830 4.320 0.000 0.000 0.320 171 A C -2.357 175.245 177.584 0.030 0.000 1.281 171 A CA -1.141 50.903 52.037 0.011 0.000 0.775 171 A CB 0.739 19.744 19.000 0.008 0.000 1.122 171 A HN 0.678 nan 8.150 nan 0.000 0.470 172 P HA 0.034 nan 4.420 nan 0.000 0.245 172 P C -0.041 177.299 177.300 0.067 0.000 1.199 172 P CA 0.420 63.549 63.100 0.049 0.000 0.807 172 P CB 0.049 31.780 31.700 0.053 0.000 1.002 173 Y N 1.693 121.997 120.300 0.007 0.000 2.359 173 Y HA 0.376 4.926 4.550 0.000 0.000 0.334 173 Y C 0.329 176.244 175.900 0.025 0.000 1.058 173 Y CA -0.561 57.546 58.100 0.010 0.000 1.244 173 Y CB 0.665 39.125 38.460 0.001 0.000 1.187 173 Y HN -0.213 nan 8.280 nan 0.000 0.510 174 S N 5.427 120.775 115.700 -0.586 0.000 2.420 174 S HA 0.671 5.141 4.470 0.000 0.000 0.313 174 S C 0.118 174.470 174.600 -0.412 0.000 1.079 174 S CA -0.178 57.829 58.200 -0.323 0.000 1.104 174 S CB -0.290 62.779 63.200 -0.217 0.000 0.969 174 S HN 1.052 nan 8.310 nan 0.000 0.471 175 G N 3.478 112.333 108.800 0.093 0.000 2.613 175 G HA2 0.521 4.481 3.960 0.000 0.000 0.303 175 G HA3 0.521 4.481 3.960 0.000 0.000 0.303 175 G C 0.674 175.663 174.900 0.148 0.000 1.312 175 G CA -0.774 44.492 45.100 0.278 0.000 1.036 175 G HN 0.701 nan 8.290 nan 0.000 0.513 176 I N 0.298 120.919 120.570 0.084 0.000 2.339 176 I HA 0.162 4.332 4.170 0.000 0.000 0.245 176 I C 1.574 177.507 176.117 -0.307 0.000 1.096 176 I CA 1.533 62.815 61.300 -0.030 0.000 1.408 176 I CB -0.154 37.834 38.000 -0.021 0.000 1.092 176 I HN 0.683 nan 8.210 nan 0.000 0.423 177 N N 0.170 118.665 118.700 -0.342 0.000 3.043 177 N HA 0.591 5.331 4.740 0.000 0.000 0.243 177 N C -1.127 174.295 175.510 -0.146 0.000 1.347 177 N CA -0.676 51.968 53.050 -0.677 0.000 0.896 177 N CB 0.763 38.978 38.487 -0.454 0.000 1.501 177 N HN 0.035 nan 8.380 nan 0.000 0.504 178 I N 1.655 122.242 120.570 0.028 0.000 2.354 178 I HA 0.665 4.835 4.170 0.000 0.000 0.286 178 I C 1.131 177.328 176.117 0.132 0.000 1.007 178 I CA -0.334 61.083 61.300 0.194 0.000 1.167 178 I CB 1.147 39.348 38.000 0.335 0.000 1.320 178 I HN 0.988 nan 8.210 nan 0.000 0.458 179 T N 2.859 117.480 114.554 0.112 0.000 2.819 179 T HA 0.582 4.932 4.350 0.000 0.000 0.271 179 T C 1.157 175.834 174.700 -0.039 0.000 0.986 179 T CA -0.040 62.070 62.100 0.017 0.000 0.989 179 T CB 0.472 69.344 68.868 0.007 0.000 1.396 179 T HN 0.483 nan 8.240 nan 0.000 0.597 180 K N 0.106 120.432 120.400 -0.124 0.000 2.459 180 K HA 0.166 4.486 4.320 0.000 0.000 0.193 180 K C 1.503 178.105 176.600 0.004 0.000 1.030 180 K CA 1.273 57.428 56.287 -0.220 0.000 1.026 180 K CB -0.395 31.978 32.500 -0.211 0.000 0.809 180 K HN 0.744 nan 8.250 nan 0.000 0.504 181 E N -0.790 119.450 120.200 0.066 0.000 2.479 181 E HA 0.279 4.629 4.350 0.000 0.000 0.193 181 E C 0.773 177.476 176.600 0.170 0.000 1.049 181 E CA 0.142 56.602 56.400 0.100 0.000 0.870 181 E CB 0.280 30.013 29.700 0.055 0.000 0.944 181 E HN 0.630 nan 8.360 nan 0.000 0.492 182 G N 1.772 110.736 108.800 0.273 0.000 2.384 182 G HA2 -0.213 3.747 3.960 0.000 0.000 0.200 182 G HA3 -0.213 3.747 3.960 0.000 0.000 0.200 182 G C -0.914 174.130 174.900 0.241 0.000 1.205 182 G CA -0.479 44.778 45.100 0.262 0.000 1.116 182 G HN 0.175 nan 8.290 nan 0.000 0.547 183 I N 1.380 122.087 120.570 0.228 0.000 2.359 183 I HA 0.548 4.718 4.170 0.000 0.000 0.294 183 I C 0.634 176.805 176.117 0.090 0.000 0.987 183 I CA -0.611 60.790 61.300 0.169 0.000 1.225 183 I CB 1.361 39.479 38.000 0.196 0.000 1.366 183 I HN 0.747 nan 8.210 nan 0.000 0.466 184 Q N 7.285 127.130 119.800 0.074 0.000 2.314 184 Q HA 0.256 4.596 4.340 0.000 0.000 0.258 184 Q C 0.161 176.204 176.000 0.070 0.000 0.954 184 Q CA -0.096 55.732 55.803 0.042 0.000 0.890 184 Q CB 0.941 29.685 28.738 0.011 0.000 1.210 184 Q HN 0.824 nan 8.270 nan 0.000 0.410 185 I N 0.184 120.780 120.570 0.044 0.000 4.225 185 I HA 0.600 4.770 4.170 0.000 0.000 0.327 185 I C 0.282 176.440 176.117 0.069 0.000 1.422 185 I CA -0.366 60.986 61.300 0.087 0.000 1.150 185 I CB 0.885 38.884 38.000 -0.002 0.000 1.192 185 I HN 0.567 nan 8.210 nan 0.000 0.440 194 Y N -0.114 120.183 120.300 -0.006 0.000 2.326 194 Y HA 0.830 5.380 4.550 0.000 0.000 0.324 194 Y C 1.021 176.884 175.900 -0.063 0.000 1.291 194 Y CA -1.316 56.778 58.100 -0.010 0.000 1.348 194 Y CB 0.496 38.970 38.460 0.023 0.000 1.294 194 Y HN 1.424 nan 8.280 nan 0.000 0.525 195 A N 1.492 124.249 122.820 -0.105 0.000 2.371 195 A HA 0.411 4.731 4.320 0.000 0.000 0.257 195 A C 0.040 177.467 177.584 -0.261 0.000 1.089 195 A CA 0.052 51.934 52.037 -0.259 0.000 0.794 195 A CB -0.034 18.719 19.000 -0.412 0.000 1.029 195 A HN 0.890 nan 8.150 nan 0.000 0.488 196 D N 2.439 122.600 120.400 -0.398 0.000 2.374 196 D HA 0.319 4.959 4.640 0.000 0.000 0.240 196 D C 1.512 177.563 176.300 -0.414 0.000 1.229 196 D CA 0.556 54.360 54.000 -0.326 0.000 0.895 196 D CB 0.856 41.503 40.800 -0.255 0.000 1.046 196 D HN 0.622 nan 8.370 nan 0.000 0.498 197 K N 2.376 122.646 120.400 -0.217 0.000 2.173 197 K HA -0.235 4.085 4.320 0.000 0.000 0.207 197 K C 1.856 178.384 176.600 -0.121 0.000 1.046 197 K CA 2.367 58.560 56.287 -0.157 0.000 0.929 197 K CB -1.668 30.897 32.500 0.109 0.000 0.720 197 K HN 0.715 nan 8.250 nan 0.000 0.453 198 T N -2.076 112.458 114.554 -0.032 0.000 2.849 198 T HA -0.060 4.290 4.350 0.000 0.000 0.270 198 T C 1.611 176.390 174.700 0.132 0.000 1.066 198 T CA 1.603 63.748 62.100 0.074 0.000 1.130 198 T CB -0.423 68.532 68.868 0.145 0.000 0.864 198 T HN 1.039 nan 8.240 nan 0.000 0.481 199 F N -0.616 119.262 119.950 -0.120 0.000 2.964 199 F HA 0.514 5.041 4.527 0.000 0.000 0.371 199 F C 0.073 175.759 175.800 -0.191 0.000 1.026 199 F CA -1.168 56.757 58.000 -0.125 0.000 1.106 199 F CB 0.274 39.223 39.000 -0.085 0.000 1.135 199 F HN 0.010 nan 8.300 nan 0.000 0.557 200 Q N 3.903 123.153 119.800 -0.916 0.000 2.256 200 Q HA 0.476 4.816 4.340 0.000 0.000 0.257 200 Q C -2.637 172.814 176.000 -0.916 0.000 0.936 200 Q CA -2.238 53.045 55.803 -0.865 0.000 0.903 200 Q CB 1.821 29.965 28.738 -0.989 0.000 1.263 200 Q HN -0.001 nan 8.270 nan 0.000 0.440 201 P HA 0.076 nan 4.420 nan 0.000 0.278 201 P C -0.978 176.173 177.300 -0.249 0.000 1.258 201 P CA -0.458 62.343 63.100 -0.499 0.000 0.811 201 P CB 0.754 32.202 31.700 -0.421 0.000 1.063 202 E N 1.693 121.822 120.200 -0.118 0.000 2.167 202 E HA 0.149 4.499 4.350 0.000 0.000 0.284 202 E C -1.603 175.016 176.600 0.031 0.000 1.016 202 E CA -1.764 54.639 56.400 0.004 0.000 0.817 202 E CB 0.428 30.175 29.700 0.079 0.000 1.080 202 E HN 0.318 nan 8.360 nan 0.000 0.397 203 P HA -0.257 nan 4.420 nan 0.000 0.218 203 P C 0.864 178.199 177.300 0.059 0.000 1.146 203 P CA 1.436 64.563 63.100 0.046 0.000 0.813 203 P CB 0.173 31.899 31.700 0.043 0.000 0.778 204 Q N -0.775 119.062 119.800 0.062 0.000 2.224 204 Q HA -0.018 4.322 4.340 0.000 0.000 0.203 204 Q C 0.955 176.997 176.000 0.070 0.000 0.970 204 Q CA 0.633 56.475 55.803 0.065 0.000 0.865 204 Q CB -0.503 28.273 28.738 0.064 0.000 0.922 204 Q HN 0.275 nan 8.270 nan 0.000 0.445 205 I N 1.386 122.009 120.570 0.087 0.000 2.395 205 I HA 0.453 4.623 4.170 0.000 0.000 0.289 205 I C 0.432 176.610 176.117 0.102 0.000 1.023 205 I CA -0.244 61.120 61.300 0.106 0.000 1.350 205 I CB 0.998 39.095 38.000 0.161 0.000 1.409 205 I HN 0.149 nan 8.210 nan 0.000 0.507 206 G N 3.426 112.261 108.800 0.057 0.000 2.827 206 G HA2 0.604 4.564 3.960 0.000 0.000 0.296 206 G HA3 0.604 4.564 3.960 0.000 0.000 0.296 206 G C -0.898 173.984 174.900 -0.030 0.000 1.362 206 G CA -0.310 44.802 45.100 0.019 0.000 0.809 206 G HN 0.674 nan 8.290 nan 0.000 0.522 207 E N -1.099 119.068 120.200 -0.054 0.000 2.343 207 E HA 0.596 4.946 4.350 0.000 0.000 0.269 207 E C 1.303 177.863 176.600 -0.067 0.000 1.047 207 E CA 0.438 56.786 56.400 -0.086 0.000 0.874 207 E CB 0.874 30.508 29.700 -0.110 0.000 1.033 207 E HN 1.336 nan 8.360 nan 0.000 0.409 208 S N 0.395 116.047 115.700 -0.081 0.000 2.395 208 S HA 0.301 4.771 4.470 0.000 0.000 0.225 208 S C 1.690 176.237 174.600 -0.088 0.000 1.027 208 S CA 1.454 59.618 58.200 -0.060 0.000 0.965 208 S CB -0.367 62.805 63.200 -0.048 0.000 0.812 208 S HN 1.225 nan 8.310 nan 0.000 0.482 209 Q N 0.527 120.201 119.800 -0.209 0.000 2.471 209 Q HA 0.438 4.778 4.340 0.000 0.000 0.223 209 Q C 0.729 176.566 176.000 -0.271 0.000 1.045 209 Q CA 0.247 55.810 55.803 -0.400 0.000 0.956 209 Q CB -0.569 27.626 28.738 -0.903 0.000 1.249 209 Q HN 1.010 nan 8.270 nan 0.000 0.549 210 W N -0.667 120.435 121.300 -0.329 0.000 3.058 210 W HA 0.229 4.889 4.660 0.000 0.000 0.306 210 W C 0.135 176.612 176.519 -0.071 0.000 1.188 210 W CA 0.224 57.488 57.345 -0.134 0.000 1.651 210 W CB 0.064 29.509 29.460 -0.024 0.000 1.051 210 W HN 0.787 nan 8.180 nan 0.000 0.592 211 Y N 0.853 120.782 120.300 -0.619 0.000 2.565 211 Y HA 0.696 5.246 4.550 0.000 0.000 0.325 211 Y C 0.327 176.072 175.900 -0.257 0.000 1.221 211 Y CA -1.832 55.924 58.100 -0.572 0.000 1.316 211 Y CB -0.665 37.171 38.460 -1.039 0.000 1.404 211 Y HN -0.065 nan 8.280 nan 0.000 0.527 212 E N -0.781 119.522 120.200 0.172 0.000 2.217 212 E HA 0.471 4.821 4.350 0.000 0.000 0.279 212 E C 0.450 177.148 176.600 0.165 0.000 1.068 212 E CA 0.263 56.727 56.400 0.107 0.000 0.882 212 E CB -0.205 29.528 29.700 0.054 0.000 1.039 212 E HN 1.016 nan 8.360 nan 0.000 0.418 213 T N 0.054 114.653 114.554 0.074 0.000 2.990 213 T HA 0.508 4.858 4.350 0.000 0.000 0.249 213 T C 1.034 175.745 174.700 0.019 0.000 1.039 213 T CA 1.847 63.987 62.100 0.067 0.000 1.036 213 T CB -0.141 68.730 68.868 0.006 0.000 0.994 213 T HN 1.981 nan 8.240 nan 0.000 0.489 214 E N -1.017 119.184 120.200 0.001 0.000 5.278 214 E HA 0.313 4.663 4.350 0.000 0.000 0.173 214 E C 0.033 176.619 176.600 -0.024 0.000 1.365 214 E CA 0.479 56.871 56.400 -0.013 0.000 1.205 214 E CB -2.904 26.789 29.700 -0.011 0.000 1.015 214 E HN 2.026 nan 8.360 nan 0.000 0.350 215 I N 2.045 122.595 120.570 -0.033 0.000 2.337 215 I HA 0.569 4.739 4.170 0.000 0.000 0.291 215 I C 1.108 177.181 176.117 -0.073 0.000 1.046 215 I CA 0.104 61.380 61.300 -0.041 0.000 1.324 215 I CB 0.793 38.772 38.000 -0.037 0.000 1.409 215 I HN 0.670 nan 8.210 nan 0.000 0.494 216 N N 2.225 120.851 118.700 -0.124 0.000 2.432 216 N HA 0.023 4.763 4.740 0.000 0.000 0.174 216 N C -0.184 175.004 175.510 -0.536 0.000 1.037 216 N CA 0.790 53.644 53.050 -0.327 0.000 0.892 216 N CB 0.349 38.599 38.487 -0.394 0.000 1.049 216 N HN 0.914 nan 8.380 nan 0.000 0.442 217 H N 0.264 119.362 119.070 0.046 0.000 2.697 217 H HA 0.556 5.112 4.556 0.000 0.000 0.270 217 H C -0.523 174.864 175.328 0.098 0.000 1.188 217 H CA -0.417 55.678 56.048 0.080 0.000 1.322 217 H CB 0.991 30.806 29.762 0.089 0.000 1.405 217 H HN 0.102 nan 8.280 nan 0.000 0.502 218 A N 2.242 125.151 122.820 0.149 0.000 2.312 218 A HA 0.876 5.196 4.320 0.000 0.000 0.328 218 A C -0.354 177.338 177.584 0.181 0.000 1.158 218 A CA -0.398 51.726 52.037 0.145 0.000 0.821 218 A CB 0.759 19.798 19.000 0.065 0.000 1.170 218 A HN 0.684 nan 8.150 nan 0.000 0.490 219 A N 0.677 123.634 122.820 0.228 0.000 2.435 219 A HA 0.933 5.253 4.320 0.000 0.000 0.304 219 A C 0.037 177.723 177.584 0.169 0.000 1.064 219 A CA -0.003 52.164 52.037 0.217 0.000 0.727 219 A CB 1.665 20.811 19.000 0.243 0.000 1.284 219 A HN 2.086 nan 8.150 nan 0.000 0.415 220 G N -0.160 108.731 108.800 0.152 0.000 2.788 220 G HA2 0.637 4.597 3.960 0.000 0.000 0.293 220 G HA3 0.637 4.597 3.960 0.000 0.000 0.293 220 G C -1.404 173.580 174.900 0.139 0.000 1.392 220 G CA -0.746 44.415 45.100 0.102 0.000 0.810 220 G HN 0.772 nan 8.290 nan 0.000 0.508 221 R N -1.215 119.333 120.500 0.080 0.000 2.621 221 R HA 0.731 5.071 4.340 0.000 0.000 0.292 221 R C -1.432 174.904 176.300 0.060 0.000 0.969 221 R CA -0.537 55.611 56.100 0.081 0.000 0.887 221 R CB 2.109 32.435 30.300 0.042 0.000 1.180 221 R HN 0.697 nan 8.270 nan 0.000 0.450 222 V N 5.090 125.044 119.914 0.067 0.000 3.147 222 V HA 0.531 4.651 4.120 0.000 0.000 0.306 222 V C -1.576 174.558 176.094 0.067 0.000 1.209 222 V CA -0.915 61.422 62.300 0.060 0.000 1.023 222 V CB 2.297 34.149 31.823 0.048 0.000 1.059 222 V HN 0.690 nan 8.190 nan 0.000 0.435 223 L N 4.534 125.803 121.223 0.077 0.000 2.289 223 L HA 0.543 4.883 4.340 0.000 0.000 0.285 223 L C 0.300 177.223 176.870 0.088 0.000 1.049 223 L CA -0.519 54.365 54.840 0.074 0.000 0.804 223 L CB 1.259 43.362 42.059 0.073 0.000 1.195 223 L HN 0.591 nan 8.230 nan 0.000 0.428 224 K N 2.151 122.595 120.400 0.073 0.000 2.219 224 K HA 0.050 4.370 4.320 0.000 0.000 0.258 224 K C 0.974 177.629 176.600 0.092 0.000 1.008 224 K CA -0.413 55.919 56.287 0.075 0.000 0.928 224 K CB 0.682 33.216 32.500 0.056 0.000 0.983 224 K HN 0.520 nan 8.250 nan 0.000 0.484 225 K N 0.147 120.608 120.400 0.102 0.000 2.585 225 K HA -0.099 4.221 4.320 0.000 0.000 0.194 225 K C 0.684 177.340 176.600 0.092 0.000 1.037 225 K CA 1.516 57.877 56.287 0.124 0.000 0.964 225 K CB -0.243 32.334 32.500 0.128 0.000 0.787 225 K HN 0.620 nan 8.250 nan 0.000 0.488 226 T N -2.120 112.476 114.554 0.069 0.000 3.081 226 T HA 0.036 4.386 4.350 0.000 0.000 0.250 226 T C 0.574 175.302 174.700 0.046 0.000 1.100 226 T CA -0.100 62.031 62.100 0.052 0.000 1.038 226 T CB 0.144 69.036 68.868 0.041 0.000 0.962 226 T HN 0.017 nan 8.240 nan 0.000 0.516 227 T N 4.959 119.543 114.554 0.051 0.000 2.743 227 T HA 0.426 4.776 4.350 0.000 0.000 0.292 227 T C -2.672 172.056 174.700 0.046 0.000 0.972 227 T CA -1.414 60.711 62.100 0.041 0.000 0.967 227 T CB 1.258 70.148 68.868 0.037 0.000 0.926 227 T HN 0.122 nan 8.240 nan 0.000 0.459 228 P HA 0.024 nan 4.420 nan 0.000 0.264 228 P C -0.279 177.038 177.300 0.028 0.000 1.179 228 P CA 0.098 63.215 63.100 0.028 0.000 0.763 228 P CB 0.370 32.080 31.700 0.018 0.000 0.806 229 M N 2.814 122.426 119.600 0.020 0.000 2.211 229 M HA 0.251 4.731 4.480 0.000 0.000 0.356 229 M C 0.568 176.871 176.300 0.005 0.000 1.216 229 M CA 0.476 55.783 55.300 0.013 0.000 1.134 229 M CB 0.424 33.012 32.600 -0.020 0.000 1.564 229 M HN 0.136 nan 8.290 nan 0.000 0.463 230 K N 2.944 123.355 120.400 0.019 0.000 2.527 230 K HA 0.557 4.877 4.320 0.000 0.000 0.260 230 K C -2.821 173.806 176.600 0.044 0.000 0.937 230 K CA -1.877 54.426 56.287 0.026 0.000 0.826 230 K CB 1.665 34.185 32.500 0.032 0.000 1.359 230 K HN 0.220 nan 8.250 nan 0.000 0.434 231 P HA 0.064 nan 4.420 nan 0.000 0.269 231 P C 1.004 178.372 177.300 0.114 0.000 1.209 231 P CA -0.283 62.866 63.100 0.082 0.000 0.776 231 P CB 0.588 32.344 31.700 0.093 0.000 0.876 232 C N 3.112 122.488 119.300 0.127 0.000 2.398 232 C HA -0.189 4.271 4.460 0.000 0.000 0.276 232 C C 1.449 176.540 174.990 0.167 0.000 1.222 232 C CA 0.524 59.623 59.018 0.135 0.000 1.746 232 C CB -1.657 26.165 27.740 0.136 0.000 2.039 232 C HN 0.545 nan 8.230 nan 0.000 0.470 233 Y N 1.078 121.419 120.300 0.068 0.000 2.745 233 Y HA 0.379 4.929 4.550 0.000 0.000 0.335 233 Y C 1.190 177.147 175.900 0.095 0.000 1.212 233 Y CA 1.154 59.299 58.100 0.076 0.000 1.535 233 Y CB -0.078 38.410 38.460 0.047 0.000 1.220 233 Y HN 0.634 nan 8.280 nan 0.000 0.531 234 G N 3.075 111.751 108.800 -0.206 0.000 2.176 234 G HA2 -0.274 3.686 3.960 0.000 0.000 0.253 234 G HA3 -0.274 3.686 3.960 0.000 0.000 0.253 234 G C 0.165 175.108 174.900 0.071 0.000 0.979 234 G CA 0.147 45.208 45.100 -0.064 0.000 0.641 234 G HN 0.704 nan 8.290 nan 0.000 0.530 235 S N 0.032 115.772 115.700 0.067 0.000 2.528 235 S HA 0.586 5.056 4.470 0.000 0.000 0.277 235 S C -0.498 174.088 174.600 -0.022 0.000 1.297 235 S CA 0.041 58.260 58.200 0.032 0.000 1.052 235 S CB 1.123 64.349 63.200 0.043 0.000 0.917 235 S HN 0.800 nan 8.310 nan 0.000 0.492 236 Y N 1.233 121.360 120.300 -0.288 0.000 2.544 236 Y HA 0.599 5.149 4.550 0.000 0.000 0.342 236 Y C -1.247 174.501 175.900 -0.252 0.000 1.062 236 Y CA -0.802 57.023 58.100 -0.458 0.000 1.023 236 Y CB 1.276 39.051 38.460 -1.142 0.000 1.308 236 Y HN 0.676 nan 8.280 nan 0.000 0.457 237 A N 5.848 127.992 122.820 -1.128 0.000 2.466 237 A HA 0.458 4.778 4.320 0.000 0.000 0.284 237 A C -1.451 175.590 177.584 -0.905 0.000 1.049 237 A CA -0.969 50.591 52.037 -0.796 0.000 0.760 237 A CB 0.633 19.424 19.000 -0.348 0.000 1.274 237 A HN 0.811 nan 8.150 nan 0.000 0.412 238 K N 3.186 123.158 120.400 -0.713 0.000 2.524 238 K HA 0.290 4.610 4.320 0.000 0.000 0.279 238 K C -2.393 174.096 176.600 -0.186 0.000 0.993 238 K CA -0.547 55.544 56.287 -0.327 0.000 1.030 238 K CB 0.126 32.590 32.500 -0.060 0.000 0.891 238 K HN 0.308 nan 8.250 nan 0.000 0.488 239 P HA -0.018 nan 4.420 nan 0.000 0.271 239 P C 0.012 177.290 177.300 -0.037 0.000 1.216 239 P CA -0.292 62.772 63.100 -0.060 0.000 0.776 239 P CB 1.096 32.779 31.700 -0.028 0.000 0.881 240 T N -1.902 112.635 114.554 -0.028 0.000 3.044 240 T HA 0.200 4.550 4.350 0.000 0.000 0.260 240 T C 0.215 174.909 174.700 -0.011 0.000 1.019 240 T CA -0.274 61.817 62.100 -0.015 0.000 0.921 240 T CB -0.740 68.122 68.868 -0.010 0.000 1.053 240 T HN 0.595 nan 8.240 nan 0.000 0.533 241 N N -1.511 117.176 118.700 -0.021 0.000 2.484 241 N HA 0.492 5.232 4.740 0.000 0.000 0.269 241 N C 0.585 176.053 175.510 -0.070 0.000 1.237 241 N CA -0.302 52.727 53.050 -0.035 0.000 0.838 241 N CB 0.695 39.169 38.487 -0.022 0.000 1.593 241 N HN -0.078 nan 8.380 nan 0.000 0.485 242 E N 0.176 120.325 120.200 -0.085 0.000 2.393 242 E HA -0.215 4.135 4.350 0.000 0.000 0.201 242 E C 0.419 176.913 176.600 -0.178 0.000 1.025 242 E CA 1.596 57.932 56.400 -0.106 0.000 0.856 242 E CB -0.864 28.779 29.700 -0.096 0.000 0.771 242 E HN 0.611 nan 8.360 nan 0.000 0.526 243 N N -0.976 117.563 118.700 -0.267 0.000 2.270 243 N HA 0.235 4.975 4.740 0.000 0.000 0.198 243 N C 1.345 176.710 175.510 -0.242 0.000 1.117 243 N CA 0.778 53.553 53.050 -0.459 0.000 0.845 243 N CB 1.247 38.994 38.487 -1.233 0.000 0.980 243 N HN 0.579 nan 8.380 nan 0.000 0.486 244 G N 0.100 108.836 108.800 -0.107 0.000 2.217 244 G HA2 -0.232 3.728 3.960 0.000 0.000 0.246 244 G HA3 -0.232 3.728 3.960 0.000 0.000 0.246 244 G C 0.536 175.439 174.900 0.005 0.000 0.990 244 G CA -0.103 44.978 45.100 -0.032 0.000 0.627 244 G HN 0.552 nan 8.290 nan 0.000 0.522 245 G N -0.181 108.639 108.800 0.033 0.000 2.353 245 G HA2 0.432 4.392 3.960 0.000 0.000 0.239 245 G HA3 0.432 4.392 3.960 0.000 0.000 0.239 245 G C 0.568 175.471 174.900 0.004 0.000 1.295 245 G CA 0.562 45.696 45.100 0.057 0.000 0.884 245 G HN 0.579 nan 8.290 nan 0.000 0.537 246 Q N 1.207 121.000 119.800 -0.012 0.000 2.179 246 Q HA 0.227 4.567 4.340 0.000 0.000 0.213 246 Q C 1.288 177.270 176.000 -0.031 0.000 0.833 246 Q CA -0.157 55.617 55.803 -0.048 0.000 0.990 246 Q CB 1.165 29.845 28.738 -0.098 0.000 1.132 246 Q HN 0.606 nan 8.270 nan 0.000 0.493 247 G N 1.155 109.954 108.800 -0.003 0.000 2.340 247 G HA2 0.218 4.178 3.960 0.000 0.000 0.245 247 G HA3 0.218 4.178 3.960 0.000 0.000 0.245 247 G C -0.186 174.716 174.900 0.003 0.000 1.294 247 G CA -0.396 44.708 45.100 0.007 0.000 0.896 247 G HN 0.200 nan 8.290 nan 0.000 0.522 248 I N 1.176 121.748 120.570 0.002 0.000 2.710 248 I HA 0.001 4.171 4.170 0.000 0.000 0.286 248 I C 0.586 176.709 176.117 0.009 0.000 1.181 248 I CA 0.391 61.692 61.300 0.002 0.000 1.430 248 I CB 0.664 38.665 38.000 0.003 0.000 1.367 248 I HN 0.214 nan 8.210 nan 0.000 0.577 249 L N 6.839 128.067 121.223 0.008 0.000 2.295 249 L HA 0.474 4.814 4.340 0.000 0.000 0.285 249 L C -0.124 176.753 176.870 0.011 0.000 1.035 249 L CA -0.636 54.211 54.840 0.011 0.000 0.806 249 L CB 1.418 43.483 42.059 0.010 0.000 1.214 249 L HN 0.320 nan 8.230 nan 0.000 0.426 259 S N 0.165 115.880 115.700 0.025 0.000 2.549 259 S HA 0.225 4.695 4.470 0.000 0.000 0.283 259 S C 0.692 175.309 174.600 0.030 0.000 1.320 259 S CA 0.246 58.464 58.200 0.030 0.000 1.058 259 S CB 0.848 64.071 63.200 0.037 0.000 0.882 259 S HN 0.486 nan 8.310 nan 0.000 0.498 260 Q N 2.933 122.751 119.800 0.030 0.000 2.172 260 Q HA 0.190 4.530 4.340 0.000 0.000 0.217 260 Q C -0.305 175.716 176.000 0.035 0.000 0.832 260 Q CA -0.214 55.606 55.803 0.029 0.000 1.010 260 Q CB 0.727 29.479 28.738 0.023 0.000 1.133 260 Q HN 0.588 nan 8.270 nan 0.000 0.489 261 V N 1.750 121.692 119.914 0.047 0.000 2.763 261 V HA 0.209 4.329 4.120 0.000 0.000 0.306 261 V C 0.471 176.594 176.094 0.048 0.000 1.059 261 V CA 0.653 62.991 62.300 0.063 0.000 1.138 261 V CB 0.617 32.501 31.823 0.102 0.000 0.940 261 V HN 0.390 nan 8.190 nan 0.000 0.489 262 E N 4.936 125.150 120.200 0.023 0.000 2.281 262 E HA 0.636 4.986 4.350 0.000 0.000 0.266 262 E C -0.603 175.931 176.600 -0.110 0.000 0.893 262 E CA -0.834 55.554 56.400 -0.020 0.000 0.798 262 E CB 1.485 31.180 29.700 -0.008 0.000 1.245 262 E HN 0.747 nan 8.360 nan 0.000 0.410 263 M N 0.958 120.430 119.600 -0.214 0.000 2.243 263 M HA 0.440 4.920 4.480 0.000 0.000 0.341 263 M C 0.056 176.121 176.300 -0.392 0.000 1.130 263 M CA -0.099 54.899 55.300 -0.504 0.000 1.162 263 M CB 0.389 32.482 32.600 -0.845 0.000 1.497 263 M HN 0.498 nan 8.290 nan 0.000 0.456 264 Q N 2.187 121.686 119.800 -0.502 0.000 2.309 264 Q HA 0.537 4.877 4.340 0.000 0.000 0.270 264 Q C -1.643 174.013 176.000 -0.574 0.000 1.023 264 Q CA -0.392 55.192 55.803 -0.365 0.000 0.758 264 Q CB 1.821 30.495 28.738 -0.107 0.000 1.247 264 Q HN 0.528 nan 8.270 nan 0.000 0.455 265 F N 1.901 121.569 119.950 -0.469 0.000 2.379 265 F HA 0.594 5.121 4.527 0.000 0.000 0.332 265 F C -0.167 175.213 175.800 -0.700 0.000 1.096 265 F CA -0.468 57.312 58.000 -0.367 0.000 1.105 265 F CB 0.690 39.567 39.000 -0.204 0.000 1.189 265 F HN 0.371 nan 8.300 nan 0.000 0.515 266 F N -0.070 119.946 119.950 0.111 0.000 2.613 266 F HA 0.647 5.174 4.527 0.000 0.000 0.310 266 F C -0.128 175.698 175.800 0.043 0.000 1.085 266 F CA -0.718 57.309 58.000 0.044 0.000 0.945 266 F CB 2.201 41.196 39.000 -0.008 0.000 1.298 266 F HN 0.306 nan 8.300 nan 0.000 0.455 267 S N -0.560 115.268 115.700 0.214 0.000 2.651 267 S HA 0.582 5.052 4.470 0.000 0.000 0.279 267 S C 0.099 174.754 174.600 0.092 0.000 1.148 267 S CA -0.489 57.780 58.200 0.115 0.000 0.837 267 S CB 1.858 65.097 63.200 0.066 0.000 1.138 267 S HN 0.763 nan 8.310 nan 0.000 0.478 268 T N 0.362 114.947 114.554 0.051 0.000 4.971 268 T HA 0.467 4.817 4.350 0.000 0.000 0.217 268 T C 0.920 175.637 174.700 0.029 0.000 0.770 268 T CA 0.885 63.005 62.100 0.033 0.000 2.187 268 T CB -1.184 67.693 68.868 0.016 0.000 1.552 268 T HN 0.882 nan 8.240 nan 0.000 0.277 279 L N -0.144 121.076 121.223 -0.005 0.000 2.999 279 L HA 0.490 4.830 4.340 0.000 0.000 0.304 279 L C 1.171 178.038 176.870 -0.005 0.000 1.104 279 L CA 1.534 56.370 54.840 -0.008 0.000 0.911 279 L CB -1.399 40.649 42.059 -0.020 0.000 1.341 279 L HN 2.407 nan 8.230 nan 0.000 0.487 280 T N 3.831 118.391 114.554 0.010 0.000 3.548 280 T HA 0.628 4.978 4.350 0.000 0.000 0.329 280 T C -2.084 172.648 174.700 0.054 0.000 0.960 280 T CA -0.789 61.328 62.100 0.028 0.000 1.041 280 T CB 0.784 69.678 68.868 0.043 0.000 1.065 280 T HN 0.742 nan 8.240 nan 0.000 0.459 281 P HA 0.331 nan 4.420 nan 0.000 0.261 281 P C 0.853 178.239 177.300 0.143 0.000 1.183 281 P CA 0.134 63.320 63.100 0.144 0.000 0.761 281 P CB 0.668 32.521 31.700 0.255 0.000 0.785 282 K N 1.978 122.443 120.400 0.108 0.000 2.323 282 K HA 0.252 4.572 4.320 0.000 0.000 0.197 282 K C 0.763 177.410 176.600 0.077 0.000 1.043 282 K CA 0.774 57.083 56.287 0.037 0.000 0.997 282 K CB 0.183 32.682 32.500 -0.001 0.000 0.807 282 K HN 0.398 nan 8.250 nan 0.000 0.497 283 V N -0.060 119.939 119.914 0.141 0.000 2.925 283 V HA 0.659 4.779 4.120 0.000 0.000 0.311 283 V C -1.386 174.809 176.094 0.168 0.000 1.104 283 V CA -0.718 61.665 62.300 0.137 0.000 0.954 283 V CB 1.972 33.841 31.823 0.077 0.000 1.022 283 V HN 0.296 nan 8.190 nan 0.000 0.427 284 V N 5.747 125.694 119.914 0.054 0.000 2.686 284 V HA 0.717 4.837 4.120 0.000 0.000 0.306 284 V C -1.605 174.389 176.094 -0.167 0.000 1.065 284 V CA -0.320 61.856 62.300 -0.207 0.000 0.894 284 V CB 1.886 33.419 31.823 -0.484 0.000 1.004 284 V HN 0.728 nan 8.190 nan 0.000 0.424 285 L N 6.154 127.242 121.223 -0.225 0.000 2.346 285 L HA 0.585 4.925 4.340 0.000 0.000 0.274 285 L C -1.383 175.317 176.870 -0.284 0.000 1.007 285 L CA -0.751 54.026 54.840 -0.105 0.000 0.818 285 L CB 2.269 44.336 42.059 0.013 0.000 1.284 285 L HN 0.658 nan 8.230 nan 0.000 0.424 286 Y N 1.010 121.260 120.300 -0.083 0.000 2.676 286 Y HA 0.194 4.744 4.550 0.000 0.000 0.338 286 Y C 0.859 176.736 175.900 -0.039 0.000 1.057 286 Y CA -0.651 57.401 58.100 -0.080 0.000 1.314 286 Y CB 0.782 39.187 38.460 -0.092 0.000 1.164 286 Y HN 0.501 nan 8.280 nan 0.000 0.509 287 S N 3.154 118.873 115.700 0.033 0.000 2.548 287 S HA 0.535 5.005 4.470 0.000 0.000 0.277 287 S C -0.290 174.342 174.600 0.054 0.000 1.315 287 S CA -0.562 57.665 58.200 0.046 0.000 1.050 287 S CB 0.925 64.144 63.200 0.032 0.000 0.918 287 S HN 0.745 nan 8.310 nan 0.000 0.497 288 E N 1.133 121.366 120.200 0.054 0.000 2.423 288 E HA 0.409 4.759 4.350 0.000 0.000 0.280 288 E C -2.062 174.560 176.600 0.037 0.000 1.030 288 E CA -1.009 55.418 56.400 0.044 0.000 0.812 288 E CB 0.901 30.628 29.700 0.046 0.000 1.313 288 E HN 0.463 nan 8.360 nan 0.000 0.456 289 D N 1.223 121.640 120.400 0.028 0.000 2.256 289 D HA 0.428 5.068 4.640 0.000 0.000 0.240 289 D C -0.458 175.846 176.300 0.006 0.000 1.062 289 D CA -0.291 53.721 54.000 0.021 0.000 0.832 289 D CB 1.985 42.798 40.800 0.021 0.000 1.135 289 D HN 0.454 nan 8.370 nan 0.000 0.484 290 V N -0.385 119.527 119.914 -0.004 0.000 3.046 290 V HA 0.501 4.621 4.120 0.000 0.000 0.316 290 V C 0.002 176.075 176.094 -0.035 0.000 1.104 290 V CA -0.885 61.397 62.300 -0.029 0.000 1.006 290 V CB 2.354 34.146 31.823 -0.050 0.000 1.058 290 V HN 0.292 nan 8.190 nan 0.000 0.440 291 D N 2.156 122.521 120.400 -0.058 0.000 2.619 291 D HA 0.225 4.865 4.640 0.000 0.000 0.224 291 D C 0.031 176.290 176.300 -0.068 0.000 1.133 291 D CA -0.065 53.906 54.000 -0.048 0.000 1.017 291 D CB 0.033 40.808 40.800 -0.042 0.000 1.077 291 D HN 0.662 nan 8.370 nan 0.000 0.503 292 I N 2.438 122.979 120.570 -0.048 0.000 2.618 292 I HA -0.030 4.141 4.170 0.000 0.000 0.284 292 I C 0.250 176.361 176.117 -0.011 0.000 1.146 292 I CA 0.544 61.817 61.300 -0.045 0.000 1.425 292 I CB 0.305 38.292 38.000 -0.022 0.000 1.383 292 I HN 0.225 nan 8.210 nan 0.000 0.562 293 E N 3.707 123.909 120.200 0.002 0.000 2.433 293 E HA 0.572 4.922 4.350 0.000 0.000 0.273 293 E C -1.047 175.576 176.600 0.039 0.000 0.950 293 E CA -0.905 55.521 56.400 0.044 0.000 0.796 293 E CB 1.683 31.442 29.700 0.097 0.000 1.330 293 E HN 0.461 nan 8.360 nan 0.000 0.455 294 T N -2.237 112.343 114.554 0.043 0.000 3.631 294 T HA 0.247 4.597 4.350 0.000 0.000 0.256 294 T C -2.313 172.424 174.700 0.061 0.000 1.187 294 T CA -1.247 60.884 62.100 0.051 0.000 1.667 294 T CB 0.481 69.385 68.868 0.060 0.000 0.804 294 T HN 0.187 nan 8.240 nan 0.000 0.639 295 P HA 0.034 nan 4.420 nan 0.000 0.225 295 P C 0.431 177.763 177.300 0.052 0.000 1.148 295 P CA 1.216 64.343 63.100 0.045 0.000 0.779 295 P CB 0.050 31.764 31.700 0.024 0.000 0.780 296 D N -2.264 118.192 120.400 0.093 0.000 2.594 296 D HA 0.063 4.703 4.640 0.000 0.000 0.256 296 D C 0.018 176.369 176.300 0.086 0.000 1.393 296 D CA -0.266 53.767 54.000 0.055 0.000 0.797 296 D CB -0.368 40.464 40.800 0.054 0.000 1.110 296 D HN 0.127 nan 8.370 nan 0.000 0.495 297 T N -2.737 111.891 114.554 0.124 0.000 2.865 297 T HA 0.644 4.994 4.350 0.000 0.000 0.294 297 T C -0.627 174.205 174.700 0.220 0.000 1.119 297 T CA -0.832 61.371 62.100 0.171 0.000 1.007 297 T CB 2.587 71.533 68.868 0.130 0.000 1.225 297 T HN 0.311 nan 8.240 nan 0.000 0.515 298 H N -0.601 118.500 119.070 0.051 0.000 2.977 298 H HA 0.531 5.087 4.556 0.000 0.000 0.350 298 H C -1.184 174.161 175.328 0.029 0.000 1.238 298 H CA -1.457 54.604 56.048 0.022 0.000 1.124 298 H CB 0.802 30.554 29.762 -0.016 0.000 1.866 298 H HN 0.579 nan 8.280 nan 0.000 0.550 299 I N 2.773 123.346 120.570 0.005 0.000 2.379 299 I HA -0.034 4.136 4.170 0.000 0.000 0.290 299 I C 1.569 177.631 176.117 -0.091 0.000 1.063 299 I CA 0.173 61.441 61.300 -0.052 0.000 1.351 299 I CB 1.001 38.989 38.000 -0.020 0.000 1.410 299 I HN 0.751 nan 8.210 nan 0.000 0.505 300 S N 6.033 121.660 115.700 -0.122 0.000 2.528 300 S HA -0.037 4.433 4.470 0.000 0.000 0.219 300 S C 0.215 174.863 174.600 0.081 0.000 0.985 300 S CA 0.245 58.399 58.200 -0.076 0.000 0.914 300 S CB -0.052 63.078 63.200 -0.117 0.000 0.776 300 S HN 0.617 nan 8.310 nan 0.000 0.526 301 Y N 1.159 121.416 120.300 -0.072 0.000 2.294 301 Y HA 0.546 5.096 4.550 0.000 0.000 0.329 301 Y C -1.171 174.702 175.900 -0.046 0.000 1.135 301 Y CA -1.200 56.870 58.100 -0.050 0.000 1.213 301 Y CB 0.979 39.406 38.460 -0.056 0.000 1.141 301 Y HN 0.057 nan 8.280 nan 0.000 0.446 302 M N 8.618 127.879 119.600 -0.566 0.000 2.084 302 M HA 0.352 4.832 4.480 0.000 0.000 0.351 302 M C -1.948 173.875 176.300 -0.794 0.000 1.240 302 M CA -2.808 52.188 55.300 -0.505 0.000 1.083 302 M CB 1.139 33.584 32.600 -0.258 0.000 1.593 302 M HN 0.444 nan 8.290 nan 0.000 0.463 303 P HA 0.089 nan 4.420 nan 0.000 0.235 303 P C -0.659 176.495 177.300 -0.244 0.000 1.177 303 P CA 0.640 63.455 63.100 -0.476 0.000 0.785 303 P CB 0.434 32.005 31.700 -0.215 0.000 0.885 304 T N -2.109 112.320 114.554 -0.208 0.000 3.097 304 T HA 0.423 4.773 4.350 0.000 0.000 0.332 304 T C 0.504 175.138 174.700 -0.109 0.000 1.269 304 T CA -0.424 61.597 62.100 -0.131 0.000 1.076 304 T CB 1.092 69.899 68.868 -0.102 0.000 1.209 304 T HN -0.177 nan 8.240 nan 0.000 0.474 305 I N -0.784 119.738 120.570 -0.081 0.000 3.688 305 I HA 0.697 4.867 4.170 0.000 0.000 0.307 305 I C 0.991 177.080 176.117 -0.047 0.000 1.287 305 I CA -0.079 61.184 61.300 -0.061 0.000 1.192 305 I CB -2.032 35.940 38.000 -0.047 0.000 1.043 305 I HN 0.867 nan 8.210 nan 0.000 0.442 306 K N 0.870 121.238 120.400 -0.053 0.000 2.293 306 K HA 0.764 5.084 4.320 0.000 0.000 0.267 306 K C 0.258 176.836 176.600 -0.038 0.000 1.010 306 K CA 0.127 56.391 56.287 -0.039 0.000 0.875 306 K CB -0.425 32.052 32.500 -0.038 0.000 1.106 306 K HN 1.475 nan 8.250 nan 0.000 0.450 307 E N 0.256 120.442 120.200 -0.024 0.000 2.447 307 E HA 0.515 4.865 4.350 0.000 0.000 0.259 307 E C 0.994 177.588 176.600 -0.011 0.000 1.196 307 E CA 0.290 56.680 56.400 -0.017 0.000 0.995 307 E CB -0.246 29.450 29.700 -0.007 0.000 0.974 307 E HN 2.400 nan 8.360 nan 0.000 0.465 308 G N 0.520 109.319 108.800 -0.002 0.000 2.722 308 G HA2 -0.075 3.885 3.960 0.000 0.000 0.686 308 G HA3 -0.075 3.885 3.960 0.000 0.000 0.686 308 G C -0.361 174.540 174.900 0.002 0.000 1.282 308 G CA -0.223 44.885 45.100 0.013 0.000 0.817 308 G HN 0.958 nan 8.290 nan 0.000 0.605 309 N N 0.188 118.906 118.700 0.031 0.000 2.492 309 N HA 0.566 5.306 4.740 0.000 0.000 0.262 309 N C 0.564 176.069 175.510 -0.009 0.000 1.202 309 N CA 0.672 53.733 53.050 0.017 0.000 0.926 309 N CB 1.511 40.062 38.487 0.106 0.000 1.078 309 N HN 1.336 nan 8.380 nan 0.000 0.454 310 S N -0.643 114.918 115.700 -0.230 0.000 2.588 310 S HA 0.620 5.090 4.470 0.000 0.000 0.269 310 S C 0.949 174.989 174.600 -0.933 0.000 1.157 310 S CA -0.315 57.634 58.200 -0.418 0.000 0.824 310 S CB 1.017 64.101 63.200 -0.192 0.000 1.126 310 S HN 0.574 nan 8.310 nan 0.000 0.464 311 R N 0.391 120.230 120.500 -1.101 0.000 2.139 311 R HA 0.039 4.379 4.340 0.000 0.000 0.243 311 R C 2.478 178.431 176.300 -0.579 0.000 1.145 311 R CA 3.253 58.731 56.100 -1.038 0.000 0.976 311 R CB -2.385 27.676 30.300 -0.397 0.000 0.866 311 R HN 1.240 nan 8.270 nan 0.000 0.449 312 E N 1.097 121.071 120.200 -0.377 0.000 2.070 312 E HA -0.089 4.261 4.350 0.000 0.000 0.197 312 E C 2.167 178.626 176.600 -0.234 0.000 1.004 312 E CA 1.446 57.704 56.400 -0.238 0.000 0.805 312 E CB -0.677 28.922 29.700 -0.168 0.000 0.744 312 E HN 0.662 nan 8.360 nan 0.000 0.451 313 L N -0.218 120.842 121.223 -0.270 0.000 2.450 313 L HA -0.064 4.276 4.340 0.000 0.000 0.224 313 L C 2.780 179.521 176.870 -0.214 0.000 1.149 313 L CA 0.715 55.426 54.840 -0.214 0.000 0.816 313 L CB -0.293 41.655 42.059 -0.184 0.000 0.932 313 L HN 0.381 nan 8.230 nan 0.000 0.449 314 M N -0.826 118.588 119.600 -0.311 0.000 2.460 314 M HA -0.072 4.408 4.480 0.000 0.000 0.263 314 M C 1.815 178.005 176.300 -0.184 0.000 1.071 314 M CA 1.310 56.429 55.300 -0.302 0.000 1.096 314 M CB -0.530 31.785 32.600 -0.475 0.000 1.408 314 M HN 0.336 nan 8.290 nan 0.000 0.463 315 G N 0.437 109.165 108.800 -0.120 0.000 3.088 315 G HA2 0.059 4.019 3.960 0.000 0.000 0.217 315 G HA3 0.059 4.019 3.960 0.000 0.000 0.217 315 G C 0.386 175.352 174.900 0.110 0.000 1.159 315 G CA -0.403 44.692 45.100 -0.009 0.000 0.760 315 G HN 0.579 nan 8.290 nan 0.000 0.550 316 Q N 0.041 119.858 119.800 0.029 0.000 2.392 316 Q HA 0.438 4.778 4.340 0.000 0.000 0.262 316 Q C -0.756 175.292 176.000 0.080 0.000 1.003 316 Q CA 0.053 55.889 55.803 0.054 0.000 0.888 316 Q CB 0.795 29.506 28.738 -0.046 0.000 1.260 316 Q HN 0.218 nan 8.270 nan 0.000 0.435 317 Q N 0.936 120.803 119.800 0.112 0.000 2.342 317 Q HA 0.476 4.816 4.340 0.000 0.000 0.267 317 Q C -1.241 174.759 176.000 -0.001 0.000 1.038 317 Q CA -0.647 55.183 55.803 0.045 0.000 0.832 317 Q CB 2.497 31.253 28.738 0.030 0.000 1.323 317 Q HN 0.717 nan 8.270 nan 0.000 0.448 318 S N 2.335 118.027 115.700 -0.012 0.000 2.549 318 S HA 0.785 5.255 4.470 0.000 0.000 0.297 318 S C -0.991 173.573 174.600 -0.059 0.000 1.115 318 S CA -0.626 57.583 58.200 0.015 0.000 1.059 318 S CB 0.821 64.136 63.200 0.192 0.000 1.046 318 S HN 0.664 nan 8.310 nan 0.000 0.506 319 M N 5.019 124.556 119.600 -0.105 0.000 2.378 319 M HA 0.518 4.998 4.480 0.000 0.000 0.289 319 M C -2.834 173.467 176.300 0.001 0.000 1.136 319 M CA -2.016 53.210 55.300 -0.124 0.000 0.917 319 M CB 2.360 34.788 32.600 -0.286 0.000 1.669 319 M HN 0.408 nan 8.290 nan 0.000 0.461 320 P HA 0.110 nan 4.420 nan 0.000 0.269 320 P C -1.231 176.173 177.300 0.174 0.000 1.209 320 P CA 0.002 63.221 63.100 0.198 0.000 0.776 320 P CB 0.263 32.079 31.700 0.194 0.000 0.876 321 N N 1.722 120.510 118.700 0.146 0.000 2.503 321 N HA 0.155 4.895 4.740 0.000 0.000 0.267 321 N C 0.404 175.885 175.510 -0.049 0.000 1.214 321 N CA -0.262 52.843 53.050 0.092 0.000 0.959 321 N CB 0.215 38.747 38.487 0.074 0.000 1.142 321 N HN 0.256 nan 8.380 nan 0.000 0.455 322 R N 1.581 122.009 120.500 -0.121 0.000 2.570 322 R HA 0.131 4.471 4.340 0.000 0.000 0.277 322 R C -1.995 174.197 176.300 -0.180 0.000 1.039 322 R CA -0.999 54.982 56.100 -0.198 0.000 1.065 322 R CB -0.191 29.926 30.300 -0.305 0.000 0.964 322 R HN 0.400 nan 8.270 nan 0.000 0.428 323 P HA 0.002 nan 4.420 nan 0.000 0.268 323 P C -0.851 176.281 177.300 -0.279 0.000 1.205 323 P CA -0.003 62.870 63.100 -0.378 0.000 0.771 323 P CB 0.533 32.013 31.700 -0.366 0.000 0.858 324 N N 2.032 120.466 118.700 -0.443 0.000 2.621 324 N HA 0.213 4.953 4.740 0.000 0.000 0.271 324 N C -1.700 173.642 175.510 -0.279 0.000 1.181 324 N CA -0.457 52.448 53.050 -0.242 0.000 0.805 324 N CB 0.152 38.568 38.487 -0.118 0.000 1.351 324 N HN 0.133 nan 8.380 nan 0.000 0.539 325 Y N 2.611 122.946 120.300 0.058 0.000 2.319 325 Y HA 0.465 5.015 4.550 0.000 0.000 0.328 325 Y C 0.607 176.618 175.900 0.186 0.000 1.133 325 Y CA -0.074 58.129 58.100 0.172 0.000 1.265 325 Y CB 0.900 39.450 38.460 0.150 0.000 1.218 325 Y HN 0.288 nan 8.280 nan 0.000 0.508 326 I N 2.819 123.636 120.570 0.411 0.000 2.534 326 I HA 0.771 4.941 4.170 0.000 0.000 0.288 326 I C -0.487 175.586 176.117 -0.073 0.000 1.077 326 I CA -0.693 60.661 61.300 0.090 0.000 1.051 326 I CB 1.768 39.754 38.000 -0.023 0.000 1.234 326 I HN 0.725 nan 8.210 nan 0.000 0.425 327 A N 4.645 127.398 122.820 -0.112 0.000 2.511 327 A HA 0.735 5.055 4.320 0.000 0.000 0.293 327 A C -1.505 175.979 177.584 -0.167 0.000 1.098 327 A CA -0.590 51.343 52.037 -0.173 0.000 0.643 327 A CB 0.662 19.641 19.000 -0.036 0.000 1.302 327 A HN 0.402 nan 8.150 nan 0.000 0.446 328 F N 1.226 121.153 119.950 -0.039 0.000 2.444 328 F HA 0.468 4.995 4.527 0.000 0.000 0.331 328 F C 1.555 177.333 175.800 -0.036 0.000 1.167 328 F CA 0.582 58.590 58.000 0.013 0.000 1.262 328 F CB 0.620 39.716 39.000 0.160 0.000 1.196 328 F HN 0.531 nan 8.300 nan 0.000 0.583 329 R N 0.152 120.779 120.500 0.211 0.000 2.583 329 R HA 0.149 4.489 4.340 0.000 0.000 0.268 329 R C -0.808 175.461 176.300 -0.051 0.000 1.101 329 R CA -0.918 55.227 56.100 0.075 0.000 1.180 329 R CB 0.196 30.560 30.300 0.108 0.000 1.128 329 R HN 0.497 nan 8.270 nan 0.000 0.568 330 D N 1.287 121.662 120.400 -0.043 0.000 2.472 330 D HA -0.079 4.561 4.640 0.000 0.000 0.248 330 D C -0.198 176.071 176.300 -0.051 0.000 1.174 330 D CA 0.685 54.642 54.000 -0.073 0.000 0.883 330 D CB 0.170 40.952 40.800 -0.029 0.000 1.149 330 D HN 0.483 nan 8.370 nan 0.000 0.488 331 N N 3.557 122.189 118.700 -0.114 0.000 2.741 331 N HA -0.266 4.474 4.740 0.000 0.000 0.251 331 N C -0.054 175.504 175.510 0.079 0.000 1.112 331 N CA 0.879 53.933 53.050 0.007 0.000 0.750 331 N CB -1.460 37.129 38.487 0.169 0.000 1.119 331 N HN 0.558 nan 8.380 nan 0.000 0.561 332 F N -1.832 118.180 119.950 0.102 0.000 3.093 332 F HA -0.252 4.275 4.527 0.000 0.000 0.287 332 F C 0.988 176.853 175.800 0.109 0.000 0.882 332 F CA 0.203 58.255 58.000 0.088 0.000 1.063 332 F CB -2.083 36.943 39.000 0.042 0.000 1.097 332 F HN 0.204 nan 8.300 nan 0.000 0.604 333 I N 0.393 121.097 120.570 0.222 0.000 2.880 333 I HA 0.137 4.307 4.170 0.000 0.000 0.296 333 I C 1.644 177.884 176.117 0.205 0.000 1.220 333 I CA 1.605 63.022 61.300 0.195 0.000 1.435 333 I CB 0.049 38.132 38.000 0.139 0.000 1.339 333 I HN 0.560 nan 8.210 nan 0.000 0.583 334 G N 4.318 113.222 108.800 0.173 0.000 2.320 334 G HA2 -0.307 3.653 3.960 0.000 0.000 0.242 334 G HA3 -0.307 3.653 3.960 0.000 0.000 0.242 334 G C 0.900 175.850 174.900 0.082 0.000 1.033 334 G CA 0.403 45.571 45.100 0.113 0.000 0.620 334 G HN 0.572 nan 8.290 nan 0.000 0.517 335 L N 0.188 121.512 121.223 0.169 0.000 1.989 335 L HA 0.127 4.467 4.340 0.000 0.000 0.211 335 L C 1.910 178.823 176.870 0.071 0.000 1.071 335 L CA 1.650 56.602 54.840 0.186 0.000 0.749 335 L CB -0.216 41.967 42.059 0.207 0.000 0.890 335 L HN 0.440 nan 8.230 nan 0.000 0.431 336 M N -2.063 117.502 119.600 -0.059 0.000 2.367 336 M HA 0.209 4.689 4.480 0.000 0.000 0.339 336 M C -1.065 175.035 176.300 -0.333 0.000 1.177 336 M CA -0.375 54.742 55.300 -0.306 0.000 1.068 336 M CB 1.359 33.646 32.600 -0.520 0.000 1.602 336 M HN -0.176 nan 8.290 nan 0.000 0.457 337 Y N 1.311 121.444 120.300 -0.277 0.000 2.319 337 Y HA 0.329 4.879 4.550 0.000 0.000 0.328 337 Y C -0.889 174.850 175.900 -0.268 0.000 1.133 337 Y CA 0.473 58.460 58.100 -0.189 0.000 1.265 337 Y CB 0.582 38.932 38.460 -0.184 0.000 1.218 337 Y HN 0.394 nan 8.280 nan 0.000 0.508 338 Y N -0.184 120.278 120.300 0.270 0.000 2.571 338 Y HA 0.212 4.762 4.550 0.000 0.000 0.341 338 Y C -0.065 175.938 175.900 0.172 0.000 1.076 338 Y CA -2.558 55.678 58.100 0.226 0.000 1.029 338 Y CB 1.432 40.053 38.460 0.268 0.000 1.308 338 Y HN 0.683 nan 8.280 nan 0.000 0.461 339 N N -0.391 118.504 118.700 0.324 0.000 2.716 339 N HA -0.172 4.568 4.740 0.000 0.000 0.250 339 N C -0.693 174.906 175.510 0.148 0.000 1.033 339 N CA 0.980 54.164 53.050 0.224 0.000 0.727 339 N CB -1.228 37.417 38.487 0.264 0.000 0.950 339 N HN 0.812 nan 8.380 nan 0.000 0.541 340 S N -0.959 114.795 115.700 0.090 0.000 2.756 340 S HA 0.537 5.007 4.470 0.000 0.000 0.303 340 S C 1.142 175.711 174.600 -0.052 0.000 1.135 340 S CA -0.623 57.604 58.200 0.045 0.000 1.066 340 S CB 0.977 64.246 63.200 0.115 0.000 1.008 340 S HN 0.119 nan 8.310 nan 0.000 0.482 341 T N 2.532 117.058 114.554 -0.047 0.000 2.803 341 T HA -0.063 4.287 4.350 0.000 0.000 0.269 341 T C 2.134 176.763 174.700 -0.118 0.000 1.052 341 T CA 2.037 64.088 62.100 -0.081 0.000 1.136 341 T CB -0.255 68.582 68.868 -0.052 0.000 0.864 341 T HN 0.823 nan 8.240 nan 0.000 0.467 342 G N 1.391 110.122 108.800 -0.114 0.000 2.448 342 G HA2 -0.086 3.874 3.960 0.000 0.000 0.218 342 G HA3 -0.086 3.874 3.960 0.000 0.000 0.218 342 G C 0.933 175.690 174.900 -0.237 0.000 1.135 342 G CA 0.134 45.150 45.100 -0.140 0.000 0.784 342 G HN 0.475 nan 8.290 nan 0.000 0.543 343 N N 0.261 118.761 118.700 -0.332 0.000 2.644 343 N HA 0.199 4.939 4.740 0.000 0.000 0.313 343 N C -0.614 174.602 175.510 -0.490 0.000 1.863 343 N CA -0.203 52.539 53.050 -0.514 0.000 0.918 343 N CB 0.980 38.837 38.487 -1.049 0.000 1.320 343 N HN 0.217 nan 8.380 nan 0.000 0.490 344 M N 1.176 120.527 119.600 -0.416 0.000 2.219 344 M HA 0.221 4.701 4.480 0.000 0.000 0.353 344 M C 0.898 176.770 176.300 -0.713 0.000 1.304 344 M CA -0.116 54.890 55.300 -0.490 0.000 1.115 344 M CB 0.638 33.034 32.600 -0.340 0.000 1.664 344 M HN 0.226 nan 8.290 nan 0.000 0.459 345 G N 3.317 111.398 108.800 -1.198 0.000 2.699 345 G HA2 0.443 4.403 3.960 0.000 0.000 0.246 345 G HA3 0.443 4.403 3.960 0.000 0.000 0.246 345 G C -1.166 173.288 174.900 -0.744 0.000 1.219 345 G CA -0.626 43.395 45.100 -1.798 0.000 0.866 345 G HN 0.656 nan 8.290 nan 0.000 0.572 346 V N 0.555 120.283 119.914 -0.311 0.000 2.733 346 V HA 0.475 4.595 4.120 0.000 0.000 0.306 346 V C -0.940 175.352 176.094 0.331 0.000 1.084 346 V CA -0.575 61.736 62.300 0.017 0.000 0.905 346 V CB 1.764 33.580 31.823 -0.012 0.000 1.010 346 V HN 0.685 nan 8.190 nan 0.000 0.424 347 L N 4.726 126.123 121.223 0.290 0.000 2.518 347 L HA 0.937 5.277 4.340 0.000 0.000 0.262 347 L C -0.352 176.650 176.870 0.220 0.000 0.982 347 L CA 0.056 55.084 54.840 0.313 0.000 0.873 347 L CB 1.174 43.389 42.059 0.260 0.000 1.198 347 L HN 0.865 nan 8.230 nan 0.000 0.427 348 A N 2.810 125.774 122.820 0.240 0.000 2.515 348 A HA 0.834 5.154 4.320 0.000 0.000 0.298 348 A C -0.180 177.561 177.584 0.261 0.000 1.059 348 A CA -0.207 51.962 52.037 0.220 0.000 0.698 348 A CB 1.311 20.398 19.000 0.145 0.000 1.289 348 A HN 0.815 nan 8.150 nan 0.000 0.404 349 G N 0.069 109.011 108.800 0.237 0.000 2.378 349 G HA2 0.399 4.359 3.960 0.000 0.000 0.255 349 G HA3 0.399 4.359 3.960 0.000 0.000 0.255 349 G C 0.391 175.297 174.900 0.009 0.000 1.270 349 G CA -0.173 44.971 45.100 0.073 0.000 0.876 349 G HN 0.824 nan 8.290 nan 0.000 0.521 350 Q N 1.745 121.509 119.800 -0.059 0.000 2.234 350 Q HA -0.162 4.178 4.340 0.000 0.000 0.206 350 Q C 2.596 178.580 176.000 -0.026 0.000 0.980 350 Q CA 1.486 57.273 55.803 -0.027 0.000 0.869 350 Q CB -0.016 28.697 28.738 -0.042 0.000 0.912 350 Q HN 0.673 nan 8.270 nan 0.000 0.436 351 A N -0.300 122.491 122.820 -0.049 0.000 2.218 351 A HA 0.132 4.452 4.320 0.000 0.000 0.209 351 A C 2.038 179.624 177.584 0.003 0.000 1.168 351 A CA 1.172 53.191 52.037 -0.030 0.000 0.804 351 A CB -0.131 18.840 19.000 -0.048 0.000 0.834 351 A HN 0.388 nan 8.150 nan 0.000 0.482 352 S N -2.791 112.923 115.700 0.024 0.000 2.564 352 S HA 0.377 4.847 4.470 0.000 0.000 0.231 352 S C 1.482 176.112 174.600 0.050 0.000 1.067 352 S CA 1.693 59.923 58.200 0.050 0.000 0.908 352 S CB -0.064 63.185 63.200 0.082 0.000 0.809 352 S HN 1.597 nan 8.310 nan 0.000 0.491 353 Q N -0.703 119.126 119.800 0.049 0.000 2.264 353 Q HA -0.172 4.168 4.340 0.000 0.000 0.207 353 Q C 0.579 176.610 176.000 0.052 0.000 0.702 353 Q CA 1.416 57.245 55.803 0.045 0.000 1.411 353 Q CB -2.670 26.084 28.738 0.027 0.000 1.717 353 Q HN 0.913 nan 8.270 nan 0.000 0.683 354 L N 1.735 122.999 121.223 0.069 0.000 2.292 354 L HA 0.627 4.967 4.340 0.000 0.000 0.284 354 L C 0.040 176.965 176.870 0.093 0.000 1.065 354 L CA -0.563 54.322 54.840 0.075 0.000 0.806 354 L CB 1.445 43.555 42.059 0.085 0.000 1.175 354 L HN 0.547 nan 8.230 nan 0.000 0.431 355 N N 3.486 122.233 118.700 0.078 0.000 2.411 355 N HA 0.197 4.937 4.740 0.000 0.000 0.259 355 N C 0.720 176.308 175.510 0.130 0.000 1.103 355 N CA 0.475 53.578 53.050 0.087 0.000 0.954 355 N CB 1.415 39.922 38.487 0.033 0.000 1.085 355 N HN 0.695 nan 8.380 nan 0.000 0.485 356 A N 3.506 126.427 122.820 0.167 0.000 2.067 356 A HA 0.028 4.348 4.320 0.000 0.000 0.219 356 A C 0.618 178.393 177.584 0.319 0.000 1.158 356 A CA 0.532 52.704 52.037 0.225 0.000 0.661 356 A CB -0.021 19.086 19.000 0.178 0.000 0.801 356 A HN 0.451 nan 8.150 nan 0.000 0.452 357 V N 0.839 120.882 119.914 0.215 0.000 2.461 357 V HA 0.367 4.487 4.120 0.000 0.000 0.275 357 V C -0.539 175.542 176.094 -0.021 0.000 1.047 357 V CA -0.107 62.286 62.300 0.155 0.000 0.955 357 V CB 1.262 33.082 31.823 -0.005 0.000 0.988 357 V HN 0.097 nan 8.190 nan 0.000 0.471 358 V N 4.441 124.271 119.914 -0.140 0.000 2.498 358 V HA 0.411 4.531 4.120 0.000 0.000 0.283 358 V C -0.574 175.352 176.094 -0.280 0.000 1.015 358 V CA -0.577 61.504 62.300 -0.364 0.000 0.867 358 V CB 1.597 32.999 31.823 -0.701 0.000 1.025 358 V HN 0.836 nan 8.190 nan 0.000 0.441 359 D N 3.157 123.451 120.400 -0.177 0.000 2.384 359 D HA 0.795 5.435 4.640 0.000 0.000 0.250 359 D C -0.817 175.492 176.300 0.015 0.000 1.029 359 D CA -0.256 53.728 54.000 -0.027 0.000 0.990 359 D CB 2.225 42.960 40.800 -0.109 0.000 1.175 359 D HN 0.356 nan 8.370 nan 0.000 0.532 360 L N 1.225 122.513 121.223 0.109 0.000 2.388 360 L HA 0.339 4.679 4.340 0.000 0.000 0.264 360 L C 1.318 178.257 176.870 0.115 0.000 0.998 360 L CA -0.730 54.168 54.840 0.095 0.000 0.817 360 L CB 2.162 44.291 42.059 0.117 0.000 1.338 360 L HN 0.265 nan 8.230 nan 0.000 0.414 361 Q N 0.053 119.903 119.800 0.084 0.000 2.297 361 Q HA -0.135 4.205 4.340 0.000 0.000 0.204 361 Q C 0.469 176.537 176.000 0.113 0.000 0.962 361 Q CA 0.980 56.836 55.803 0.087 0.000 0.879 361 Q CB 0.237 29.003 28.738 0.047 0.000 0.947 361 Q HN 0.621 nan 8.270 nan 0.000 0.462 362 D N 0.372 120.841 120.400 0.114 0.000 2.317 362 D HA -0.030 4.610 4.640 0.000 0.000 0.211 362 D C 0.407 176.801 176.300 0.158 0.000 0.966 362 D CA 0.396 54.471 54.000 0.125 0.000 0.876 362 D CB 0.246 41.109 40.800 0.105 0.000 0.927 362 D HN 0.020 nan 8.370 nan 0.000 0.519 363 R N 0.312 120.921 120.500 0.181 0.000 2.500 363 R HA 0.257 4.597 4.340 0.000 0.000 0.277 363 R C -0.566 175.854 176.300 0.200 0.000 1.026 363 R CA -0.483 55.732 56.100 0.192 0.000 1.058 363 R CB 0.633 31.087 30.300 0.257 0.000 1.078 363 R HN -0.202 nan 8.270 nan 0.000 0.509 364 N N 1.305 120.090 118.700 0.142 0.000 2.804 364 N HA 0.114 4.854 4.740 0.000 0.000 0.251 364 N C -0.307 175.235 175.510 0.052 0.000 1.250 364 N CA -0.152 52.947 53.050 0.081 0.000 0.820 364 N CB 1.296 39.746 38.487 -0.062 0.000 1.156 364 N HN 0.561 nan 8.380 nan 0.000 0.512 365 T N 0.871 115.476 114.554 0.086 0.000 2.674 365 T HA -0.107 4.243 4.350 0.000 0.000 0.265 365 T C 1.369 176.029 174.700 -0.067 0.000 1.039 365 T CA 1.184 63.271 62.100 -0.021 0.000 1.150 365 T CB 0.169 68.925 68.868 -0.186 0.000 0.864 365 T HN 0.444 nan 8.240 nan 0.000 0.427 366 E N 0.843 121.031 120.200 -0.020 0.000 2.058 366 E HA -0.125 4.225 4.350 0.000 0.000 0.194 366 E C 2.275 178.891 176.600 0.027 0.000 0.997 366 E CA 0.923 57.341 56.400 0.031 0.000 0.801 366 E CB -0.574 29.188 29.700 0.102 0.000 0.746 366 E HN 0.295 nan 8.360 nan 0.000 0.450 367 L N 1.115 122.319 121.223 -0.032 0.000 2.046 367 L HA -0.120 4.220 4.340 0.000 0.000 0.208 367 L C 2.527 179.377 176.870 -0.033 0.000 1.077 367 L CA 1.771 56.570 54.840 -0.068 0.000 0.747 367 L CB -0.752 41.245 42.059 -0.103 0.000 0.896 367 L HN -0.005 nan 8.230 nan 0.000 0.432 368 S N -1.742 113.964 115.700 0.011 0.000 2.387 368 S HA -0.309 4.161 4.470 0.000 0.000 0.230 368 S C 2.093 176.725 174.600 0.052 0.000 1.035 368 S CA 1.661 59.898 58.200 0.061 0.000 1.014 368 S CB -0.606 62.628 63.200 0.057 0.000 0.836 368 S HN 0.636 nan 8.310 nan 0.000 0.466 369 Y N 1.673 121.920 120.300 -0.089 0.000 2.314 369 Y HA -0.014 4.536 4.550 0.000 0.000 0.293 369 Y C 2.552 178.377 175.900 -0.125 0.000 1.129 369 Y CA 1.634 59.665 58.100 -0.116 0.000 1.201 369 Y CB -0.290 38.102 38.460 -0.113 0.000 0.999 369 Y HN 0.276 nan 8.280 nan 0.000 0.541 370 Q N 0.085 119.855 119.800 -0.050 0.000 2.050 370 Q HA -0.160 4.180 4.340 0.000 0.000 0.202 370 Q C 2.367 178.249 176.000 -0.196 0.000 0.980 370 Q CA 1.706 57.436 55.803 -0.123 0.000 0.840 370 Q CB -0.517 28.116 28.738 -0.174 0.000 0.898 370 Q HN 0.529 nan 8.270 nan 0.000 0.424 371 L N 0.197 121.282 121.223 -0.229 0.000 2.156 371 L HA -0.145 4.195 4.340 0.000 0.000 0.208 371 L C 2.414 179.007 176.870 -0.462 0.000 1.095 371 L CA 0.353 55.073 54.840 -0.200 0.000 0.770 371 L CB -0.455 41.606 42.059 0.003 0.000 0.914 371 L HN 0.176 nan 8.230 nan 0.000 0.439 372 L N -0.094 120.723 121.223 -0.676 0.000 2.046 372 L HA -0.198 4.142 4.340 0.000 0.000 0.208 372 L C 2.347 178.862 176.870 -0.592 0.000 1.077 372 L CA 1.638 55.892 54.840 -0.976 0.000 0.747 372 L CB -0.314 41.348 42.059 -0.662 0.000 0.896 372 L HN 0.097 nan 8.230 nan 0.000 0.432 373 L N -0.427 120.512 121.223 -0.474 0.000 2.012 373 L HA -0.254 4.086 4.340 0.000 0.000 0.210 373 L C 2.343 179.114 176.870 -0.164 0.000 1.073 373 L CA 1.951 56.599 54.840 -0.320 0.000 0.748 373 L CB -0.815 41.074 42.059 -0.282 0.000 0.891 373 L HN 0.414 nan 8.230 nan 0.000 0.431 374 D N -0.278 120.075 120.400 -0.079 0.000 2.149 374 D HA -0.212 4.428 4.640 0.000 0.000 0.198 374 D C 2.248 178.534 176.300 -0.023 0.000 0.990 374 D CA 1.524 55.532 54.000 0.014 0.000 0.839 374 D CB 0.135 41.068 40.800 0.223 0.000 0.948 374 D HN 0.290 nan 8.370 nan 0.000 0.460 375 S N -0.134 115.508 115.700 -0.097 0.000 2.428 375 S HA -0.121 4.349 4.470 0.000 0.000 0.230 375 S C 2.043 176.616 174.600 -0.045 0.000 1.014 375 S CA 0.875 59.043 58.200 -0.054 0.000 0.957 375 S CB -0.710 62.443 63.200 -0.079 0.000 0.784 375 S HN 0.577 nan 8.310 nan 0.000 0.499 376 I N -2.070 118.442 120.570 -0.097 0.000 3.956 376 I HA 0.589 4.759 4.170 0.000 0.000 0.333 376 I C 0.693 176.785 176.117 -0.043 0.000 1.302 376 I CA -0.109 61.153 61.300 -0.063 0.000 1.122 376 I CB -0.039 37.911 38.000 -0.083 0.000 1.013 376 I HN 0.388 nan 8.210 nan 0.000 0.405 377 G N 0.846 109.623 108.800 -0.039 0.000 2.490 377 G HA2 0.117 4.077 3.960 0.000 0.000 0.308 377 G HA3 0.117 4.077 3.960 0.000 0.000 0.308 377 G C -2.010 172.876 174.900 -0.023 0.000 1.286 377 G CA -0.393 44.691 45.100 -0.027 0.000 0.825 377 G HN 0.050 nan 8.290 nan 0.000 0.479 378 D N 0.055 120.440 120.400 -0.025 0.000 2.479 378 D HA 0.330 4.970 4.640 0.000 0.000 0.218 378 D C 1.455 177.738 176.300 -0.027 0.000 1.131 378 D CA -0.689 53.292 54.000 -0.032 0.000 0.916 378 D CB 0.983 41.758 40.800 -0.042 0.000 1.022 378 D HN 0.188 nan 8.370 nan 0.000 0.515 379 R N 1.138 121.619 120.500 -0.033 0.000 2.355 379 R HA -0.088 4.252 4.340 0.000 0.000 0.219 379 R C 1.847 178.149 176.300 0.004 0.000 1.107 379 R CA 1.034 57.126 56.100 -0.013 0.000 1.021 379 R CB -1.108 29.159 30.300 -0.055 0.000 0.852 379 R HN 0.565 nan 8.270 nan 0.000 0.475 380 T N -2.287 112.242 114.554 -0.041 0.000 3.023 380 T HA 0.066 4.416 4.350 0.000 0.000 0.266 380 T C 0.907 175.518 174.700 -0.148 0.000 1.093 380 T CA 0.143 62.198 62.100 -0.075 0.000 1.129 380 T CB 0.176 68.976 68.868 -0.114 0.000 0.899 380 T HN -0.029 nan 8.240 nan 0.000 0.491 381 R N 1.127 121.575 120.500 -0.086 0.000 2.490 381 R HA 0.353 4.693 4.340 0.000 0.000 0.278 381 R C -0.872 175.491 176.300 0.103 0.000 1.069 381 R CA -0.432 55.597 56.100 -0.117 0.000 1.080 381 R CB 0.384 30.638 30.300 -0.077 0.000 1.030 381 R HN 0.301 nan 8.270 nan 0.000 0.491 382 Y N 1.516 121.744 120.300 -0.120 0.000 2.387 382 Y HA 0.373 4.923 4.550 0.000 0.000 0.330 382 Y C 0.008 175.964 175.900 0.094 0.000 1.133 382 Y CA -1.309 56.715 58.100 -0.127 0.000 1.152 382 Y CB 0.821 38.959 38.460 -0.536 0.000 1.215 382 Y HN 0.357 nan 8.280 nan 0.000 0.466 383 F N 2.240 122.273 119.950 0.139 0.000 2.902 383 F HA 0.231 4.758 4.527 0.000 0.000 0.368 383 F C 1.040 176.888 175.800 0.080 0.000 1.202 383 F CA -1.608 56.446 58.000 0.089 0.000 1.109 383 F CB 0.993 40.045 39.000 0.086 0.000 1.418 383 F HN 0.479 nan 8.300 nan 0.000 0.527 384 S N 5.005 120.814 115.700 0.182 0.000 2.374 384 S HA -0.299 4.171 4.470 0.000 0.000 0.227 384 S C 2.140 176.505 174.600 -0.393 0.000 1.037 384 S CA 1.662 59.846 58.200 -0.027 0.000 1.024 384 S CB -0.561 62.679 63.200 0.067 0.000 0.861 384 S HN 0.791 nan 8.310 nan 0.000 0.456 385 M N -0.029 119.014 119.600 -0.928 0.000 2.113 385 M HA -0.162 4.318 4.480 0.000 0.000 0.255 385 M C 1.245 177.055 176.300 -0.816 0.000 1.073 385 M CA 2.228 56.835 55.300 -1.155 0.000 1.091 385 M CB -0.307 31.206 32.600 -1.811 0.000 1.309 385 M HN 0.610 nan 8.290 nan 0.000 0.407 386 W N -0.679 120.306 121.300 -0.525 0.000 3.330 386 W HA 0.246 4.906 4.660 0.000 0.000 0.348 386 W C 0.473 176.774 176.519 -0.363 0.000 1.205 386 W CA -0.614 56.624 57.345 -0.178 0.000 1.841 386 W CB -0.177 29.221 29.460 -0.103 0.000 1.084 386 W HN 0.374 nan 8.180 nan 0.000 0.665 387 N N 1.260 119.801 118.700 -0.265 0.000 2.747 387 N HA -0.258 4.482 4.740 0.000 0.000 0.249 387 N C 0.019 175.403 175.510 -0.210 0.000 1.107 387 N CA 0.695 53.492 53.050 -0.422 0.000 0.707 387 N CB -1.126 36.630 38.487 -1.218 0.000 1.054 387 N HN 0.339 nan 8.380 nan 0.000 0.555 388 Q N 0.228 120.011 119.800 -0.028 0.000 2.641 388 Q HA 0.459 4.799 4.340 0.000 0.000 0.225 388 Q C -0.753 175.253 176.000 0.011 0.000 1.309 388 Q CA 0.368 56.219 55.803 0.079 0.000 0.935 388 Q CB -0.007 28.895 28.738 0.274 0.000 1.557 388 Q HN 0.411 nan 8.270 nan 0.000 0.563 389 A N 3.700 126.435 122.820 -0.141 0.000 2.768 389 A HA 0.249 4.569 4.320 0.000 0.000 0.299 389 A C -0.727 176.701 177.584 -0.260 0.000 1.171 389 A CA -0.568 51.185 52.037 -0.474 0.000 0.759 389 A CB 1.004 19.520 19.000 -0.805 0.000 1.267 389 A HN 0.484 nan 8.150 nan 0.000 0.421 390 V N 2.569 122.439 119.914 -0.073 0.000 2.814 390 V HA -0.002 4.118 4.120 0.000 0.000 0.307 390 V C 0.052 176.142 176.094 -0.007 0.000 1.089 390 V CA 0.488 62.782 62.300 -0.009 0.000 1.212 390 V CB 0.370 32.210 31.823 0.028 0.000 0.912 390 V HN 0.790 nan 8.190 nan 0.000 0.497 391 D N 4.840 125.235 120.400 -0.009 0.000 2.383 391 D HA 0.371 5.011 4.640 0.000 0.000 0.252 391 D C 0.063 176.467 176.300 0.173 0.000 1.166 391 D CA 0.429 54.462 54.000 0.055 0.000 0.879 391 D CB 1.317 42.093 40.800 -0.040 0.000 1.164 391 D HN 0.813 nan 8.370 nan 0.000 0.462 392 S N 1.262 117.122 115.700 0.267 0.000 2.794 392 S HA 0.757 5.227 4.470 0.000 0.000 0.299 392 S C -1.113 173.557 174.600 0.116 0.000 1.179 392 S CA -0.916 57.396 58.200 0.187 0.000 0.838 392 S CB 1.760 64.957 63.200 -0.006 0.000 1.206 392 S HN 0.509 nan 8.310 nan 0.000 0.523 393 Y N -1.249 119.017 120.300 -0.058 0.000 2.625 393 Y HA 0.718 5.268 4.550 0.000 0.000 0.338 393 Y C -1.314 174.469 175.900 -0.195 0.000 1.123 393 Y CA -1.309 56.646 58.100 -0.242 0.000 1.046 393 Y CB 0.285 38.441 38.460 -0.506 0.000 1.299 393 Y HN 0.644 nan 8.280 nan 0.000 0.464 394 D N 3.184 123.620 120.400 0.060 0.000 2.371 394 D HA 0.219 4.859 4.640 0.000 0.000 0.256 394 D C -1.769 174.625 176.300 0.156 0.000 1.193 394 D CA -2.030 51.999 54.000 0.048 0.000 0.881 394 D CB 1.615 42.414 40.800 -0.001 0.000 1.143 394 D HN 0.382 nan 8.370 nan 0.000 0.473 395 P HA -0.112 nan 4.420 nan 0.000 0.218 395 P C 0.565 177.920 177.300 0.092 0.000 1.148 395 P CA 0.882 64.064 63.100 0.136 0.000 0.822 395 P CB 0.363 32.096 31.700 0.055 0.000 0.784 396 D N -1.323 119.140 120.400 0.106 0.000 2.348 396 D HA -0.035 4.605 4.640 0.000 0.000 0.216 396 D C 1.778 178.200 176.300 0.203 0.000 0.970 396 D CA 0.606 54.703 54.000 0.161 0.000 0.889 396 D CB 0.008 40.913 40.800 0.175 0.000 0.912 396 D HN 0.083 nan 8.370 nan 0.000 0.524 397 V N 0.279 120.229 119.914 0.060 0.000 2.575 397 V HA -0.044 4.076 4.120 0.000 0.000 0.242 397 V C 2.378 178.335 176.094 -0.228 0.000 1.045 397 V CA 0.591 62.818 62.300 -0.122 0.000 1.065 397 V CB -0.034 31.569 31.823 -0.368 0.000 0.717 397 V HN -0.029 nan 8.190 nan 0.000 0.467 398 R N 0.571 120.900 120.500 -0.286 0.000 2.075 398 R HA 0.065 4.405 4.340 0.000 0.000 0.232 398 R C 0.558 176.718 176.300 -0.233 0.000 1.126 398 R CA 1.493 57.344 56.100 -0.414 0.000 0.963 398 R CB -0.096 29.802 30.300 -0.670 0.000 0.858 398 R HN 0.450 nan 8.270 nan 0.000 0.435 399 I N 1.434 121.938 120.570 -0.110 0.000 2.411 399 I HA 0.266 4.436 4.170 0.000 0.000 0.284 399 I C -0.670 175.467 176.117 0.033 0.000 1.012 399 I CA -0.700 60.562 61.300 -0.064 0.000 1.119 399 I CB 1.960 39.924 38.000 -0.059 0.000 1.261 399 I HN 0.002 nan 8.210 nan 0.000 0.448 400 I N 5.938 126.549 120.570 0.069 0.000 2.533 400 I HA 0.079 4.249 4.170 0.000 0.000 0.284 400 I C 0.618 176.846 176.117 0.186 0.000 1.109 400 I CA 0.287 61.691 61.300 0.173 0.000 1.412 400 I CB 0.484 38.602 38.000 0.197 0.000 1.396 400 I HN 0.627 nan 8.210 nan 0.000 0.543 401 E N 6.680 126.995 120.200 0.191 0.000 2.256 401 E HA 0.133 4.483 4.350 0.000 0.000 0.243 401 E C -0.674 175.934 176.600 0.013 0.000 0.925 401 E CA -0.603 55.870 56.400 0.121 0.000 0.748 401 E CB 0.559 30.327 29.700 0.112 0.000 1.206 401 E HN 0.432 nan 8.360 nan 0.000 0.428 402 N N 3.416 122.162 118.700 0.077 0.000 2.663 402 N HA -0.013 4.727 4.740 0.000 0.000 0.250 402 N C 0.129 175.568 175.510 -0.118 0.000 1.129 402 N CA -0.041 53.011 53.050 0.003 0.000 0.995 402 N CB 0.198 38.818 38.487 0.222 0.000 1.324 402 N HN 0.562 nan 8.380 nan 0.000 0.512 403 H N 1.421 120.373 119.070 -0.197 0.000 2.529 403 H HA 0.287 4.843 4.556 0.000 0.000 0.277 403 H C 1.072 176.264 175.328 -0.225 0.000 1.004 403 H CA 0.076 56.018 56.048 -0.177 0.000 1.167 403 H CB 0.134 29.799 29.762 -0.163 0.000 1.445 403 H HN 0.501 nan 8.280 nan 0.000 0.554 404 G N 1.750 110.334 108.800 -0.360 0.000 2.512 404 G HA2 -0.280 3.680 3.960 0.000 0.000 0.240 404 G HA3 -0.280 3.680 3.960 0.000 0.000 0.240 404 G C -0.189 174.464 174.900 -0.412 0.000 1.246 404 G CA 0.178 45.101 45.100 -0.295 0.000 0.919 404 G HN 0.865 nan 8.290 nan 0.000 0.577 405 T N -2.576 111.865 114.554 -0.188 0.000 2.909 405 T HA 0.690 5.040 4.350 0.000 0.000 0.299 405 T C -0.547 174.111 174.700 -0.071 0.000 1.073 405 T CA -0.145 61.871 62.100 -0.139 0.000 0.999 405 T CB 2.336 71.161 68.868 -0.071 0.000 1.098 405 T HN 0.671 nan 8.240 nan 0.000 0.477 406 E N 2.286 122.449 120.200 -0.062 0.000 1.964 406 E HA 0.167 4.517 4.350 0.000 0.000 0.264 406 E C -0.275 176.299 176.600 -0.043 0.000 1.120 406 E CA -0.413 55.958 56.400 -0.048 0.000 1.061 406 E CB 0.075 29.747 29.700 -0.047 0.000 1.190 406 E HN 0.677 nan 8.360 nan 0.000 0.459 407 D N 1.228 121.602 120.400 -0.042 0.000 2.755 407 D HA 0.022 4.662 4.640 0.000 0.000 0.257 407 D C 0.535 176.805 176.300 -0.051 0.000 1.291 407 D CA -0.250 53.721 54.000 -0.048 0.000 0.836 407 D CB 0.387 41.160 40.800 -0.044 0.000 1.059 407 D HN 0.075 nan 8.370 nan 0.000 0.486 408 E N 0.310 120.484 120.200 -0.044 0.000 2.051 408 E HA 0.021 4.371 4.350 0.000 0.000 0.192 408 E C 0.686 177.259 176.600 -0.045 0.000 0.991 408 E CA 0.785 57.162 56.400 -0.038 0.000 0.799 408 E CB 0.101 29.783 29.700 -0.030 0.000 0.748 408 E HN 0.408 nan 8.360 nan 0.000 0.449 409 L N 2.409 123.601 121.223 -0.052 0.000 2.371 409 L HA 0.246 4.586 4.340 0.000 0.000 0.272 409 L C -2.004 174.790 176.870 -0.127 0.000 1.124 409 L CA -1.962 52.840 54.840 -0.064 0.000 0.816 409 L CB 0.324 42.353 42.059 -0.050 0.000 1.129 409 L HN 0.030 nan 8.230 nan 0.000 0.448 410 P HA 0.236 nan 4.420 nan 0.000 0.281 410 P C -1.527 175.416 177.300 -0.595 0.000 1.249 410 P CA -0.601 62.265 63.100 -0.390 0.000 0.810 410 P CB 0.640 32.064 31.700 -0.460 0.000 1.008 411 N N 1.049 119.369 118.700 -0.633 0.000 2.372 411 N HA 0.424 5.164 4.740 0.000 0.000 0.285 411 N C -1.030 174.104 175.510 -0.627 0.000 1.008 411 N CA -0.476 52.271 53.050 -0.506 0.000 0.880 411 N CB 0.872 39.216 38.487 -0.240 0.000 1.239 411 N HN 0.356 nan 8.380 nan 0.000 0.484 412 Y N 0.004 120.199 120.300 -0.175 0.000 2.598 412 Y HA 0.635 5.185 4.550 0.000 0.000 0.340 412 Y C 0.221 175.799 175.900 -0.536 0.000 1.038 412 Y CA -1.427 56.414 58.100 -0.431 0.000 1.100 412 Y CB 1.144 39.182 38.460 -0.703 0.000 1.281 412 Y HN 0.520 nan 8.280 nan 0.000 0.488 413 C N 0.396 119.391 119.300 -0.508 0.000 2.455 413 C HA 0.916 5.376 4.460 0.000 0.000 0.320 413 C C -1.024 173.574 174.990 -0.653 0.000 1.226 413 C CA -1.046 57.735 59.018 -0.394 0.000 1.569 413 C CB -0.787 26.855 27.740 -0.163 0.000 2.200 413 C HN 0.612 nan 8.230 nan 0.000 0.491 414 F N 1.019 120.959 119.950 -0.017 0.000 2.639 414 F HA 0.803 5.330 4.527 0.000 0.000 0.339 414 F C -1.981 173.814 175.800 -0.008 0.000 1.071 414 F CA -2.322 55.655 58.000 -0.038 0.000 0.994 414 F CB 0.328 39.300 39.000 -0.047 0.000 1.341 414 F HN 0.392 nan 8.300 nan 0.000 0.498 415 P HA 0.274 nan 4.420 nan 0.000 0.275 415 P C 0.826 178.120 177.300 -0.010 0.000 1.228 415 P CA -0.286 62.894 63.100 0.132 0.000 0.786 415 P CB 0.752 32.547 31.700 0.158 0.000 0.927 416 L N 1.154 122.347 121.223 -0.051 0.000 2.089 416 L HA -0.179 4.161 4.340 0.000 0.000 0.213 416 L C 2.143 178.632 176.870 -0.636 0.000 1.079 416 L CA 2.222 56.945 54.840 -0.196 0.000 0.758 416 L CB -1.242 40.792 42.059 -0.041 0.000 0.891 416 L HN 0.586 nan 8.230 nan 0.000 0.433 417 G N -1.806 106.440 108.800 -0.924 0.000 2.985 417 G HA2 0.274 4.234 3.960 0.000 0.000 0.209 417 G HA3 0.274 4.234 3.960 0.000 0.000 0.209 417 G C 1.288 175.795 174.900 -0.655 0.000 1.165 417 G CA 0.494 44.584 45.100 -1.683 0.000 0.776 417 G HN 0.552 nan 8.290 nan 0.000 0.541 418 G N -1.685 106.908 108.800 -0.345 0.000 2.212 418 G HA2 -0.187 3.773 3.960 0.000 0.000 0.266 418 G HA3 -0.187 3.773 3.960 0.000 0.000 0.266 418 G C 0.094 174.951 174.900 -0.072 0.000 0.978 418 G CA 0.507 45.500 45.100 -0.178 0.000 0.632 418 G HN 1.194 nan 8.290 nan 0.000 0.537 419 V N -0.339 119.548 119.914 -0.046 0.000 3.023 419 V HA 0.673 4.793 4.120 0.000 0.000 0.294 419 V C 0.273 176.426 176.094 0.098 0.000 1.324 419 V CA 0.029 62.358 62.300 0.049 0.000 0.979 419 V CB 1.967 33.817 31.823 0.046 0.000 1.093 419 V HN 0.367 nan 8.190 nan 0.000 0.434 420 I N 2.729 123.372 120.570 0.122 0.000 4.922 420 I HA 0.330 4.500 4.170 0.000 0.000 0.331 420 I C 0.537 176.697 176.117 0.072 0.000 1.260 420 I CA 0.189 61.563 61.300 0.122 0.000 1.366 420 I CB 0.797 38.866 38.000 0.116 0.000 1.386 420 I HN 0.618 nan 8.210 nan 0.000 0.483 421 N N 2.819 121.549 118.700 0.049 0.000 2.802 421 N HA 0.114 4.854 4.740 0.000 0.000 0.288 421 N C -0.113 175.415 175.510 0.030 0.000 1.268 421 N CA 0.177 53.237 53.050 0.017 0.000 1.035 421 N CB -0.111 38.372 38.487 -0.007 0.000 1.353 421 N HN 0.369 nan 8.380 nan 0.000 0.522 422 T N -1.548 113.033 114.554 0.045 0.000 2.860 422 T HA 0.202 4.552 4.350 0.000 0.000 0.299 422 T C 0.321 175.034 174.700 0.021 0.000 1.045 422 T CA -0.632 61.491 62.100 0.039 0.000 1.071 422 T CB 1.387 70.287 68.868 0.055 0.000 0.985 422 T HN 0.379 nan 8.240 nan 0.000 0.537 423 E N 0.681 120.889 120.200 0.013 0.000 2.210 423 E HA 0.354 4.704 4.350 0.000 0.000 0.266 423 E C -1.093 175.508 176.600 0.001 0.000 0.883 423 E CA -0.997 55.405 56.400 0.004 0.000 0.761 423 E CB 1.315 31.013 29.700 -0.003 0.000 1.156 423 E HN 0.598 nan 8.360 nan 0.000 0.412 424 T N 4.294 118.847 114.554 -0.000 0.000 2.902 424 T HA 0.229 4.579 4.350 0.000 0.000 0.301 424 T C 0.198 174.894 174.700 -0.006 0.000 1.012 424 T CA 0.080 62.179 62.100 -0.001 0.000 1.151 424 T CB 0.057 68.924 68.868 -0.001 0.000 0.946 424 T HN 0.368 nan 8.240 nan 0.000 0.542 425 L N 1.850 123.070 121.223 -0.005 0.000 2.303 425 L HA 0.640 4.980 4.340 0.000 0.000 0.256 425 L C 0.135 177.000 176.870 -0.008 0.000 1.034 425 L CA -1.056 53.775 54.840 -0.015 0.000 0.832 425 L CB 2.570 44.612 42.059 -0.028 0.000 1.403 425 L HN 0.519 nan 8.230 nan 0.000 0.419 426 T N 0.691 115.234 114.554 -0.019 0.000 2.848 426 T HA 0.239 4.589 4.350 0.000 0.000 0.285 426 T C -0.579 174.104 174.700 -0.027 0.000 0.995 426 T CA -0.575 61.520 62.100 -0.007 0.000 0.970 426 T CB 1.845 70.714 68.868 0.002 0.000 0.976 426 T HN 0.369 nan 8.240 nan 0.000 0.441 427 K N 2.663 123.051 120.400 -0.020 0.000 2.382 427 K HA 0.481 4.801 4.320 0.000 0.000 0.275 427 K C -0.874 175.715 176.600 -0.020 0.000 1.009 427 K CA -0.215 56.031 56.287 -0.068 0.000 0.970 427 K CB 0.481 32.892 32.500 -0.148 0.000 0.934 427 K HN 0.309 nan 8.250 nan 0.000 0.479 428 V N 1.780 121.686 119.914 -0.013 0.000 3.040 428 V HA 0.608 4.728 4.120 0.000 0.000 0.312 428 V C -0.602 175.597 176.094 0.175 0.000 1.115 428 V CA -0.748 61.602 62.300 0.083 0.000 0.998 428 V CB 1.907 33.772 31.823 0.069 0.000 1.042 428 V HN 0.904 nan 8.190 nan 0.000 0.433 429 K N 3.632 124.169 120.400 0.229 0.000 2.316 429 K HA 0.896 5.216 4.320 0.000 0.000 0.251 429 K C -3.047 173.657 176.600 0.174 0.000 0.934 429 K CA -1.872 54.526 56.287 0.186 0.000 0.802 429 K CB 1.638 34.186 32.500 0.079 0.000 1.171 429 K HN 0.507 nan 8.250 nan 0.000 0.426 438 W N 0.140 121.436 121.300 -0.007 0.000 2.936 438 W HA 0.736 5.396 4.660 0.000 0.000 0.338 438 W C 0.094 176.609 176.519 -0.007 0.000 1.121 438 W CA -0.372 56.968 57.345 -0.009 0.000 1.209 438 W CB 2.032 31.485 29.460 -0.012 0.000 1.420 438 W HN 0.795 nan 8.180 nan 0.000 0.516 439 E N 0.348 120.676 120.200 0.214 0.000 2.256 439 E HA 0.648 4.998 4.350 0.000 0.000 0.268 439 E C -0.318 176.356 176.600 0.124 0.000 0.877 439 E CA -0.871 55.604 56.400 0.125 0.000 0.757 439 E CB 0.875 30.611 29.700 0.060 0.000 1.183 439 E HN 0.649 nan 8.360 nan 0.000 0.418 440 K N 1.380 121.834 120.400 0.091 0.000 2.469 440 K HA 0.322 4.642 4.320 0.000 0.000 0.274 440 K C -0.189 176.451 176.600 0.068 0.000 0.983 440 K CA 0.375 56.705 56.287 0.071 0.000 0.974 440 K CB 0.389 32.920 32.500 0.051 0.000 0.913 440 K HN 0.696 nan 8.250 nan 0.000 0.493 441 D N -0.437 120.003 120.400 0.066 0.000 2.252 441 D HA 0.787 5.427 4.640 0.000 0.000 0.245 441 D C -0.660 175.693 176.300 0.088 0.000 1.009 441 D CA 0.576 54.622 54.000 0.077 0.000 0.870 441 D CB 1.754 42.598 40.800 0.074 0.000 1.251 441 D HN 0.818 nan 8.370 nan 0.000 0.460 446 S N 0.007 115.814 115.700 0.179 0.000 2.672 446 S HA 0.451 4.921 4.470 0.000 0.000 0.276 446 S C 0.630 175.286 174.600 0.093 0.000 1.207 446 S CA -0.392 57.863 58.200 0.092 0.000 1.002 446 S CB 0.273 63.500 63.200 0.045 0.000 0.998 446 S HN 0.552 nan 8.310 nan 0.000 0.542 447 D N 0.388 120.820 120.400 0.053 0.000 2.269 447 D HA 0.169 4.809 4.640 0.000 0.000 0.208 447 D C 0.604 176.922 176.300 0.030 0.000 0.963 447 D CA 1.377 55.400 54.000 0.039 0.000 0.864 447 D CB -0.201 40.614 40.800 0.025 0.000 0.936 447 D HN 0.666 nan 8.370 nan 0.000 0.505 448 K N 1.243 121.660 120.400 0.029 0.000 2.640 448 K HA 0.372 4.692 4.320 0.000 0.000 0.245 448 K C -0.750 175.864 176.600 0.023 0.000 0.962 448 K CA -0.819 55.479 56.287 0.018 0.000 0.896 448 K CB 0.433 32.936 32.500 0.005 0.000 1.147 448 K HN -0.041 nan 8.250 nan 0.000 0.445 449 N N 1.962 120.680 118.700 0.030 0.000 2.342 449 N HA 0.294 5.034 4.740 0.000 0.000 0.293 449 N C -1.109 174.413 175.510 0.021 0.000 1.026 449 N CA -0.618 52.454 53.050 0.036 0.000 0.857 449 N CB 2.173 40.698 38.487 0.062 0.000 1.256 449 N HN 0.661 nan 8.380 nan 0.000 0.484 450 E N 1.731 121.943 120.200 0.021 0.000 2.167 450 E HA 0.464 4.814 4.350 0.000 0.000 0.284 450 E C -0.371 176.248 176.600 0.031 0.000 1.016 450 E CA -0.058 56.356 56.400 0.024 0.000 0.817 450 E CB 1.327 31.044 29.700 0.028 0.000 1.080 450 E HN 0.419 nan 8.360 nan 0.000 0.397 451 I N 2.581 123.164 120.570 0.022 0.000 2.533 451 I HA 0.313 4.483 4.170 0.000 0.000 0.290 451 I C -0.482 175.646 176.117 0.018 0.000 1.056 451 I CA -1.121 60.190 61.300 0.019 0.000 1.057 451 I CB 1.862 39.864 38.000 0.002 0.000 1.240 451 I HN 0.292 nan 8.210 nan 0.000 0.423 452 R N 5.612 126.127 120.500 0.024 0.000 2.234 452 R HA 0.482 4.822 4.340 0.000 0.000 0.324 452 R C -1.563 174.744 176.300 0.012 0.000 1.054 452 R CA -0.208 55.907 56.100 0.025 0.000 0.912 452 R CB 0.922 31.244 30.300 0.037 0.000 1.030 452 R HN 0.419 nan 8.270 nan 0.000 0.455 453 V N 6.016 125.935 119.914 0.009 0.000 2.333 453 V HA 0.741 4.861 4.120 0.000 0.000 0.274 453 V C 0.810 176.908 176.094 0.007 0.000 1.028 453 V CA 0.663 62.963 62.300 0.001 0.000 0.851 453 V CB 0.300 32.118 31.823 -0.009 0.000 1.000 453 V HN 1.068 nan 8.190 nan 0.000 0.456 454 G N 5.368 114.171 108.800 0.005 0.000 2.396 454 G HA2 -0.145 3.815 3.960 0.000 0.000 0.254 454 G HA3 -0.145 3.815 3.960 0.000 0.000 0.254 454 G C -0.611 174.296 174.900 0.012 0.000 1.248 454 G CA -0.753 44.352 45.100 0.008 0.000 1.033 454 G HN 0.552 nan 8.290 nan 0.000 0.502 455 N N 1.087 119.796 118.700 0.015 0.000 2.381 455 N HA 0.356 5.096 4.740 0.000 0.000 0.254 455 N C 0.733 176.269 175.510 0.043 0.000 1.264 455 N CA 0.287 53.345 53.050 0.014 0.000 0.942 455 N CB 0.216 38.701 38.487 -0.003 0.000 1.190 455 N HN 0.916 nan 8.380 nan 0.000 0.495 456 N N -0.575 118.157 118.700 0.052 0.000 2.408 456 N HA 0.111 4.851 4.740 0.000 0.000 0.260 456 N C -0.666 174.946 175.510 0.170 0.000 1.242 456 N CA -0.379 52.737 53.050 0.110 0.000 0.959 456 N CB 0.131 38.678 38.487 0.100 0.000 1.201 456 N HN 0.381 nan 8.380 nan 0.000 0.511 457 F N -0.096 119.890 119.950 0.060 0.000 2.467 457 F HA 0.530 5.057 4.527 0.000 0.000 0.362 457 F C -0.165 175.658 175.800 0.037 0.000 1.090 457 F CA -0.716 57.307 58.000 0.039 0.000 1.202 457 F CB -0.159 38.864 39.000 0.038 0.000 1.113 457 F HN 0.728 nan 8.300 nan 0.000 0.541 458 A N 7.638 130.028 122.820 -0.716 0.000 2.498 458 A HA 0.805 5.125 4.320 0.000 0.000 0.298 458 A C -1.252 175.869 177.584 -0.772 0.000 1.075 458 A CA -0.903 50.700 52.037 -0.724 0.000 0.714 458 A CB 1.546 20.196 19.000 -0.584 0.000 1.299 458 A HN 0.668 nan 8.150 nan 0.000 0.407 459 M N 1.444 120.705 119.600 -0.565 0.000 2.393 459 M HA 0.446 4.926 4.480 0.000 0.000 0.316 459 M C -0.433 175.790 176.300 -0.128 0.000 1.087 459 M CA -0.174 54.934 55.300 -0.320 0.000 0.937 459 M CB 1.722 34.169 32.600 -0.256 0.000 1.668 459 M HN 0.930 nan 8.290 nan 0.000 0.438 460 E N 2.239 122.416 120.200 -0.038 0.000 2.222 460 E HA 0.763 5.113 4.350 0.000 0.000 0.272 460 E C -1.657 174.888 176.600 -0.091 0.000 0.982 460 E CA -0.598 55.782 56.400 -0.033 0.000 0.842 460 E CB 2.528 32.235 29.700 0.011 0.000 1.144 460 E HN 0.699 nan 8.360 nan 0.000 0.397 461 I N 2.700 123.182 120.570 -0.146 0.000 2.787 461 I HA 0.232 4.402 4.170 0.000 0.000 0.294 461 I C -1.758 174.277 176.117 -0.135 0.000 1.365 461 I CA -0.717 60.513 61.300 -0.116 0.000 1.029 461 I CB 1.955 39.906 38.000 -0.081 0.000 1.313 461 I HN 0.402 nan 8.210 nan 0.000 0.431 462 N N 7.601 126.239 118.700 -0.104 0.000 2.767 462 N HA 0.290 5.030 4.740 0.000 0.000 0.238 462 N C 0.801 176.283 175.510 -0.046 0.000 1.083 462 N CA -0.150 52.847 53.050 -0.088 0.000 0.964 462 N CB 0.512 38.952 38.487 -0.078 0.000 1.252 462 N HN 0.728 nan 8.380 nan 0.000 0.512 463 L N 1.824 123.017 121.223 -0.051 0.000 1.963 463 L HA -0.280 4.060 4.340 0.000 0.000 0.220 463 L C 1.774 178.652 176.870 0.012 0.000 1.076 463 L CA 1.233 56.061 54.840 -0.020 0.000 0.772 463 L CB -0.432 41.610 42.059 -0.028 0.000 0.892 463 L HN 0.480 nan 8.230 nan 0.000 0.435 464 N N 0.074 118.777 118.700 0.006 0.000 2.069 464 N HA -0.175 4.565 4.740 0.000 0.000 0.191 464 N C 1.817 177.380 175.510 0.087 0.000 1.031 464 N CA 1.658 54.727 53.050 0.031 0.000 0.852 464 N CB -0.386 38.098 38.487 -0.004 0.000 1.018 464 N HN 0.367 nan 8.380 nan 0.000 0.423 465 A N 1.719 124.583 122.820 0.074 0.000 1.908 465 A HA -0.154 4.166 4.320 0.000 0.000 0.218 465 A C 2.125 179.798 177.584 0.149 0.000 1.181 465 A CA 1.284 53.401 52.037 0.133 0.000 0.627 465 A CB -0.544 18.503 19.000 0.079 0.000 0.818 465 A HN 0.281 nan 8.150 nan 0.000 0.445 466 N N 0.160 118.911 118.700 0.085 0.000 2.025 466 N HA -0.144 4.596 4.740 0.000 0.000 0.194 466 N C 1.822 177.395 175.510 0.106 0.000 1.044 466 N CA 1.740 54.831 53.050 0.069 0.000 0.851 466 N CB -0.470 38.038 38.487 0.035 0.000 1.036 466 N HN 0.497 nan 8.380 nan 0.000 0.422 467 L N 0.087 121.386 121.223 0.126 0.000 1.990 467 L HA -0.223 4.117 4.340 0.000 0.000 0.213 467 L C 2.506 179.532 176.870 0.261 0.000 1.072 467 L CA 1.418 56.356 54.840 0.164 0.000 0.755 467 L CB -0.634 41.506 42.059 0.136 0.000 0.889 467 L HN 0.458 nan 8.230 nan 0.000 0.432 468 W N 1.380 122.712 121.300 0.053 0.000 2.321 468 W HA -0.273 4.387 4.660 0.000 0.000 0.306 468 W C 2.729 179.334 176.519 0.143 0.000 1.217 468 W CA 1.397 58.786 57.345 0.073 0.000 1.257 468 W CB -0.124 29.344 29.460 0.013 0.000 1.145 468 W HN 0.123 nan 8.180 nan 0.000 0.509 469 R N 0.267 120.782 120.500 0.025 0.000 2.080 469 R HA -0.216 4.124 4.340 0.000 0.000 0.236 469 R C 1.908 178.184 176.300 -0.040 0.000 1.137 469 R CA 2.311 58.347 56.100 -0.107 0.000 0.943 469 R CB -0.704 29.576 30.300 -0.035 0.000 0.846 469 R HN 0.156 nan 8.270 nan 0.000 0.431 470 N N -0.147 118.584 118.700 0.053 0.000 2.137 470 N HA -0.210 4.530 4.740 0.000 0.000 0.190 470 N C 1.339 176.927 175.510 0.131 0.000 1.017 470 N CA 1.369 54.476 53.050 0.094 0.000 0.859 470 N CB -0.292 38.260 38.487 0.107 0.000 1.002 470 N HN 0.183 nan 8.380 nan 0.000 0.428 471 F N 0.794 120.741 119.950 -0.005 0.000 2.146 471 F HA 0.016 4.543 4.527 0.000 0.000 0.298 471 F C 1.706 177.444 175.800 -0.102 0.000 1.096 471 F CA 1.014 59.010 58.000 -0.007 0.000 1.275 471 F CB -0.182 38.843 39.000 0.041 0.000 1.008 471 F HN -0.031 nan 8.300 nan 0.000 0.480 472 L N -1.150 119.910 121.223 -0.272 0.000 2.027 472 L HA -0.220 4.120 4.340 0.000 0.000 0.206 472 L C 2.328 179.065 176.870 -0.222 0.000 1.074 472 L CA 1.525 56.133 54.840 -0.388 0.000 0.745 472 L CB -1.051 40.726 42.059 -0.470 0.000 0.898 472 L HN 0.177 nan 8.230 nan 0.000 0.433 473 Y N 0.123 120.294 120.300 -0.216 0.000 2.145 473 Y HA -0.308 4.242 4.550 0.000 0.000 0.286 473 Y C 3.066 178.900 175.900 -0.110 0.000 1.145 473 Y CA 1.801 59.813 58.100 -0.146 0.000 1.148 473 Y CB -0.275 38.114 38.460 -0.118 0.000 0.981 473 Y HN 0.148 nan 8.280 nan 0.000 0.507 474 S N -0.097 115.597 115.700 -0.011 0.000 2.356 474 S HA -0.187 4.283 4.470 0.000 0.000 0.223 474 S C 1.795 176.425 174.600 0.050 0.000 1.032 474 S CA 1.775 59.968 58.200 -0.013 0.000 1.005 474 S CB -0.434 62.807 63.200 0.068 0.000 0.867 474 S HN 0.618 nan 8.310 nan 0.000 0.449 475 N N 0.043 118.685 118.700 -0.097 0.000 2.395 475 N HA 0.157 4.897 4.740 0.000 0.000 0.175 475 N C 1.415 176.936 175.510 0.018 0.000 1.029 475 N CA 1.120 54.148 53.050 -0.038 0.000 0.897 475 N CB 0.064 38.279 38.487 -0.454 0.000 0.991 475 N HN 0.439 nan 8.380 nan 0.000 0.441 476 I N 0.601 121.099 120.570 -0.121 0.000 3.345 476 I HA 0.135 4.305 4.170 0.000 0.000 0.258 476 I C 2.259 178.340 176.117 -0.061 0.000 1.134 476 I CA 0.272 61.530 61.300 -0.071 0.000 1.457 476 I CB -0.517 37.400 38.000 -0.138 0.000 1.425 476 I HN -0.141 nan 8.210 nan 0.000 0.461 477 A N 1.458 124.162 122.820 -0.193 0.000 1.870 477 A HA -0.250 4.070 4.320 0.000 0.000 0.219 477 A C 2.267 179.634 177.584 -0.361 0.000 1.224 477 A CA 2.134 53.989 52.037 -0.304 0.000 0.650 477 A CB -1.390 17.298 19.000 -0.521 0.000 0.836 477 A HN 0.405 nan 8.150 nan 0.000 0.454 478 L N -2.251 118.671 121.223 -0.500 0.000 2.261 478 L HA -0.206 4.134 4.340 0.000 0.000 0.216 478 L C 2.009 178.582 176.870 -0.496 0.000 1.114 478 L CA 1.058 55.581 54.840 -0.529 0.000 0.777 478 L CB -0.437 41.266 42.059 -0.594 0.000 0.910 478 L HN 0.544 nan 8.230 nan 0.000 0.440 479 Y N -0.964 119.206 120.300 -0.217 0.000 2.466 479 Y HA 0.174 4.724 4.550 0.000 0.000 0.272 479 Y C 1.140 176.968 175.900 -0.120 0.000 1.169 479 Y CA -0.642 57.374 58.100 -0.140 0.000 1.285 479 Y CB -0.148 38.271 38.460 -0.069 0.000 1.078 479 Y HN 0.003 nan 8.280 nan 0.000 0.523 480 L N 2.260 123.449 121.223 -0.057 0.000 2.503 480 L HA 0.002 4.342 4.340 0.000 0.000 0.287 480 L C -1.891 174.919 176.870 -0.100 0.000 1.252 480 L CA -1.650 53.141 54.840 -0.082 0.000 0.835 480 L CB 0.052 42.025 42.059 -0.144 0.000 1.099 480 L HN -0.060 nan 8.230 nan 0.000 0.516 481 P HA -0.019 nan 4.420 nan 0.000 0.269 481 P C -0.055 177.182 177.300 -0.105 0.000 1.209 481 P CA -0.106 62.947 63.100 -0.079 0.000 0.776 481 P CB 0.554 32.214 31.700 -0.068 0.000 0.876 482 D N 2.397 122.765 120.400 -0.054 0.000 2.158 482 D HA -0.221 4.419 4.640 0.000 0.000 0.197 482 D C 1.733 178.004 176.300 -0.048 0.000 0.995 482 D CA 1.434 55.411 54.000 -0.039 0.000 0.846 482 D CB -0.146 40.693 40.800 0.065 0.000 0.941 482 D HN 0.437 nan 8.370 nan 0.000 0.456 483 K N 0.361 120.732 120.400 -0.048 0.000 2.218 483 K HA -0.167 4.153 4.320 0.000 0.000 0.205 483 K C 1.831 178.381 176.600 -0.084 0.000 1.046 483 K CA 1.058 57.317 56.287 -0.048 0.000 0.933 483 K CB -0.384 32.094 32.500 -0.037 0.000 0.728 483 K HN 0.289 nan 8.250 nan 0.000 0.454 484 L N 0.679 121.810 121.223 -0.153 0.000 2.558 484 L HA 0.097 4.437 4.340 0.000 0.000 0.225 484 L C 0.883 177.693 176.870 -0.101 0.000 1.128 484 L CA 0.126 54.861 54.840 -0.175 0.000 0.868 484 L CB 0.040 41.905 42.059 -0.322 0.000 1.006 484 L HN 0.097 nan 8.230 nan 0.000 0.454 485 K N -0.061 120.277 120.400 -0.103 0.000 2.209 485 K HA 0.465 4.785 4.320 0.000 0.000 0.238 485 K C -1.116 175.474 176.600 -0.017 0.000 1.028 485 K CA -0.622 55.585 56.287 -0.132 0.000 0.935 485 K CB 1.232 33.591 32.500 -0.234 0.000 1.162 485 K HN -0.140 nan 8.250 nan 0.000 0.485 486 Y N -3.028 117.198 120.300 -0.124 0.000 2.581 486 Y HA 0.401 4.951 4.550 0.000 0.000 0.337 486 Y C -1.016 174.813 175.900 -0.118 0.000 1.108 486 Y CA -1.170 56.869 58.100 -0.102 0.000 1.033 486 Y CB 0.919 39.326 38.460 -0.088 0.000 1.318 486 Y HN 0.350 nan 8.280 nan 0.000 0.459 487 S N 4.470 120.238 115.700 0.113 0.000 2.565 487 S HA 0.423 4.893 4.470 0.000 0.000 0.276 487 S C -2.457 172.216 174.600 0.122 0.000 1.326 487 S CA -0.861 57.350 58.200 0.018 0.000 1.045 487 S CB 0.281 63.494 63.200 0.021 0.000 0.918 487 S HN 0.554 nan 8.310 nan 0.000 0.505 488 P HA 0.256 nan 4.420 nan 0.000 0.277 488 P C -0.942 176.387 177.300 0.049 0.000 1.240 488 P CA -0.611 62.523 63.100 0.058 0.000 0.798 488 P CB 0.495 32.191 31.700 -0.007 0.000 0.979 489 S N 1.749 117.481 115.700 0.053 0.000 2.565 489 S HA 0.190 4.660 4.470 0.000 0.000 0.274 489 S C 0.416 174.994 174.600 -0.036 0.000 1.309 489 S CA -0.634 57.572 58.200 0.009 0.000 1.043 489 S CB -0.313 62.892 63.200 0.009 0.000 0.939 489 S HN 0.539 nan 8.310 nan 0.000 0.504 490 N N -0.895 117.781 118.700 -0.040 0.000 2.725 490 N HA -0.144 4.596 4.740 0.000 0.000 0.249 490 N C -1.109 174.369 175.510 -0.054 0.000 1.103 490 N CA 0.590 53.606 53.050 -0.057 0.000 0.707 490 N CB -1.547 36.883 38.487 -0.095 0.000 1.043 490 N HN 0.444 nan 8.380 nan 0.000 0.553 491 V N -0.453 119.441 119.914 -0.033 0.000 2.569 491 V HA 0.561 4.681 4.120 0.000 0.000 0.301 491 V C 0.605 176.689 176.094 -0.017 0.000 1.044 491 V CA -0.692 61.593 62.300 -0.026 0.000 0.874 491 V CB 1.872 33.682 31.823 -0.021 0.000 1.002 491 V HN 0.334 nan 8.190 nan 0.000 0.424 492 K N 4.673 125.066 120.400 -0.012 0.000 2.448 492 K HA 0.636 4.956 4.320 0.000 0.000 0.278 492 K C -0.579 176.015 176.600 -0.009 0.000 1.009 492 K CA 0.326 56.609 56.287 -0.005 0.000 0.995 492 K CB 0.648 33.147 32.500 -0.001 0.000 0.917 492 K HN 0.772 nan 8.250 nan 0.000 0.481 493 I N 1.032 121.604 120.570 0.003 0.000 2.722 493 I HA 0.332 4.502 4.170 0.000 0.000 0.295 493 I C 0.322 176.473 176.117 0.057 0.000 1.161 493 I CA -0.636 60.669 61.300 0.009 0.000 1.032 493 I CB 2.262 40.251 38.000 -0.018 0.000 1.244 493 I HN 0.841 nan 8.210 nan 0.000 0.421 494 S N 3.701 119.448 115.700 0.078 0.000 2.569 494 S HA 0.012 4.482 4.470 0.000 0.000 0.274 494 S C 0.494 175.156 174.600 0.102 0.000 1.353 494 S CA 0.574 58.823 58.200 0.082 0.000 1.023 494 S CB 0.726 63.968 63.200 0.071 0.000 0.876 494 S HN 0.733 nan 8.310 nan 0.000 0.540 495 D N 0.793 121.206 120.400 0.021 0.000 2.327 495 D HA 0.127 4.767 4.640 0.000 0.000 0.205 495 D C 0.007 176.223 176.300 -0.139 0.000 0.989 495 D CA 0.290 54.271 54.000 -0.031 0.000 0.873 495 D CB 0.043 40.830 40.800 -0.022 0.000 0.955 495 D HN 0.421 nan 8.370 nan 0.000 0.515 496 N N 0.796 119.420 118.700 -0.128 0.000 2.406 496 N HA 0.075 4.815 4.740 0.000 0.000 0.251 496 N C -1.927 173.374 175.510 -0.349 0.000 1.069 496 N CA -1.913 51.029 53.050 -0.181 0.000 0.947 496 N CB 1.436 39.875 38.487 -0.080 0.000 1.111 496 N HN -0.114 nan 8.380 nan 0.000 0.497 497 P HA 0.013 nan 4.420 nan 0.000 0.229 497 P C 0.135 177.281 177.300 -0.255 0.000 1.160 497 P CA 0.788 63.371 63.100 -0.861 0.000 0.777 497 P CB 0.420 31.691 31.700 -0.715 0.000 0.814 498 N N -0.984 117.631 118.700 -0.142 0.000 2.383 498 N HA 0.015 4.755 4.740 0.000 0.000 0.192 498 N C 0.524 176.033 175.510 -0.002 0.000 1.141 498 N CA 0.545 53.572 53.050 -0.038 0.000 0.851 498 N CB -0.321 38.148 38.487 -0.031 0.000 0.976 498 N HN 0.105 nan 8.380 nan 0.000 0.465 499 T N -0.324 114.234 114.554 0.005 0.000 2.922 499 T HA 0.085 4.435 4.350 0.000 0.000 0.285 499 T C 0.962 175.719 174.700 0.094 0.000 1.005 499 T CA -0.439 61.695 62.100 0.056 0.000 1.061 499 T CB 1.265 70.163 68.868 0.049 0.000 1.007 499 T HN 0.145 nan 8.240 nan 0.000 0.502 500 Y N 2.242 122.527 120.300 -0.025 0.000 2.220 500 Y HA -0.077 4.473 4.550 0.000 0.000 0.291 500 Y C 2.182 178.035 175.900 -0.078 0.000 1.129 500 Y CA 2.079 60.141 58.100 -0.063 0.000 1.161 500 Y CB -0.204 38.204 38.460 -0.086 0.000 0.997 500 Y HN 0.848 nan 8.280 nan 0.000 0.522 501 D N -0.926 119.485 120.400 0.019 0.000 2.133 501 D HA -0.314 4.326 4.640 0.000 0.000 0.195 501 D C 2.027 178.220 176.300 -0.178 0.000 0.997 501 D CA 1.860 55.806 54.000 -0.089 0.000 0.840 501 D CB -0.536 40.274 40.800 0.017 0.000 0.947 501 D HN 0.487 nan 8.370 nan 0.000 0.452 502 Y N 0.507 120.692 120.300 -0.192 0.000 2.089 502 Y HA -0.188 4.362 4.550 0.000 0.000 0.282 502 Y C 2.298 178.042 175.900 -0.260 0.000 1.139 502 Y CA 1.853 59.842 58.100 -0.184 0.000 1.123 502 Y CB -0.380 38.007 38.460 -0.121 0.000 0.980 502 Y HN -0.001 nan 8.280 nan 0.000 0.493 503 M N -0.213 119.268 119.600 -0.199 0.000 2.202 503 M HA -0.237 4.243 4.480 0.000 0.000 0.262 503 M C 1.792 177.778 176.300 -0.524 0.000 1.063 503 M CA 2.055 57.155 55.300 -0.333 0.000 1.097 503 M CB -0.474 31.980 32.600 -0.244 0.000 1.382 503 M HN 0.309 nan 8.290 nan 0.000 0.413 504 N N 0.377 118.672 118.700 -0.675 0.000 2.376 504 N HA -0.055 4.685 4.740 0.000 0.000 0.177 504 N C 1.305 176.422 175.510 -0.656 0.000 1.024 504 N CA 1.030 53.620 53.050 -0.766 0.000 0.893 504 N CB 0.244 38.078 38.487 -1.089 0.000 0.980 504 N HN 0.223 nan 8.380 nan 0.000 0.439 505 K N -0.559 119.516 120.400 -0.542 0.000 2.276 505 K HA 0.198 4.518 4.320 0.000 0.000 0.198 505 K C 0.002 176.378 176.600 -0.373 0.000 1.052 505 K CA -0.159 55.886 56.287 -0.404 0.000 0.984 505 K CB 0.349 32.673 32.500 -0.294 0.000 0.836 505 K HN -0.018 nan 8.250 nan 0.000 0.490 506 R N 1.820 122.009 120.500 -0.517 0.000 2.537 506 R HA -0.028 4.312 4.340 0.000 0.000 0.281 506 R C -0.043 175.992 176.300 -0.441 0.000 0.988 506 R CA 0.193 55.981 56.100 -0.520 0.000 1.077 506 R CB 0.228 30.152 30.300 -0.627 0.000 0.932 506 R HN 0.015 nan 8.270 nan 0.000 0.409 507 V N 2.824 122.415 119.914 -0.539 0.000 2.612 507 V HA 0.573 4.693 4.120 0.000 0.000 0.301 507 V C -0.474 175.233 176.094 -0.645 0.000 1.046 507 V CA -0.678 61.277 62.300 -0.576 0.000 0.946 507 V CB 2.038 33.485 31.823 -0.627 0.000 1.003 507 V HN 0.446 nan 8.190 nan 0.000 0.459 508 V N 5.957 125.663 119.914 -0.348 0.000 2.709 508 V HA 0.877 4.997 4.120 0.000 0.000 0.308 508 V C 0.320 176.424 176.094 0.016 0.000 1.062 508 V CA -0.036 62.139 62.300 -0.208 0.000 0.901 508 V CB 1.691 33.375 31.823 -0.233 0.000 1.003 508 V HN 1.613 nan 8.190 nan 0.000 0.425 509 A N 7.906 130.753 122.820 0.045 0.000 2.404 509 A HA 0.597 4.917 4.320 0.000 0.000 0.273 509 A C -1.632 176.038 177.584 0.142 0.000 1.144 509 A CA -1.075 51.013 52.037 0.085 0.000 0.806 509 A CB 0.333 19.357 19.000 0.040 0.000 1.080 509 A HN 0.788 nan 8.150 nan 0.000 0.509 510 P HA -0.101 nan 4.420 nan 0.000 0.220 510 P C 1.562 178.897 177.300 0.059 0.000 1.148 510 P CA 1.676 64.875 63.100 0.165 0.000 0.803 510 P CB 0.071 31.689 31.700 -0.136 0.000 0.782 511 G N -0.325 108.498 108.800 0.037 0.000 2.535 511 G HA2 -0.183 3.777 3.960 0.000 0.000 0.218 511 G HA3 -0.183 3.777 3.960 0.000 0.000 0.218 511 G C 1.411 176.345 174.900 0.058 0.000 1.122 511 G CA 0.251 45.382 45.100 0.052 0.000 0.769 511 G HN 0.256 nan 8.290 nan 0.000 0.549 512 L N -0.329 120.924 121.223 0.051 0.000 2.109 512 L HA 0.059 4.399 4.340 0.000 0.000 0.207 512 L C 0.874 177.788 176.870 0.073 0.000 1.086 512 L CA 0.556 55.438 54.840 0.070 0.000 0.760 512 L CB 0.144 42.229 42.059 0.044 0.000 0.910 512 L HN 0.036 nan 8.230 nan 0.000 0.437 513 V N -0.787 119.137 119.914 0.017 0.000 2.468 513 V HA 0.221 4.341 4.120 0.000 0.000 0.256 513 V C -0.403 175.609 176.094 -0.135 0.000 0.998 513 V CA -0.582 61.698 62.300 -0.034 0.000 1.114 513 V CB 0.515 32.309 31.823 -0.049 0.000 1.378 513 V HN 0.102 nan 8.190 nan 0.000 0.573 514 D N 0.554 120.809 120.400 -0.241 0.000 2.383 514 D HA 0.128 4.768 4.640 0.000 0.000 0.248 514 D C 1.507 177.518 176.300 -0.482 0.000 1.170 514 D CA -0.007 53.723 54.000 -0.451 0.000 0.977 514 D CB 2.247 42.624 40.800 -0.704 0.000 1.120 514 D HN 0.538 nan 8.370 nan 0.000 0.481 515 C N 0.656 119.728 119.300 -0.380 0.000 2.400 515 C HA -0.161 4.299 4.460 0.000 0.000 0.291 515 C C 1.906 176.968 174.990 0.121 0.000 1.372 515 C CA 0.185 59.162 59.018 -0.069 0.000 1.800 515 C CB -2.137 25.721 27.740 0.197 0.000 1.869 515 C HN 0.612 nan 8.230 nan 0.000 0.533 516 Y N -1.144 119.261 120.300 0.176 0.000 2.532 516 Y HA 0.592 5.142 4.550 0.000 0.000 0.283 516 Y C 0.789 176.761 175.900 0.120 0.000 1.181 516 Y CA -2.153 56.031 58.100 0.141 0.000 1.256 516 Y CB -1.079 37.437 38.460 0.094 0.000 1.112 516 Y HN 0.176 nan 8.280 nan 0.000 0.521 517 I N 3.444 124.094 120.570 0.135 0.000 2.533 517 I HA 0.036 4.206 4.170 0.000 0.000 0.284 517 I C 0.167 176.387 176.117 0.172 0.000 1.109 517 I CA 0.159 61.557 61.300 0.164 0.000 1.412 517 I CB -0.399 37.649 38.000 0.080 0.000 1.396 517 I HN 0.526 nan 8.210 nan 0.000 0.543 518 N N 5.552 124.330 118.700 0.132 0.000 2.698 518 N HA -0.245 4.495 4.740 0.000 0.000 0.258 518 N C -0.080 175.484 175.510 0.090 0.000 0.978 518 N CA 0.501 53.593 53.050 0.070 0.000 0.777 518 N CB -0.908 37.621 38.487 0.071 0.000 0.907 518 N HN 0.550 nan 8.380 nan 0.000 0.543 519 L N 0.102 121.382 121.223 0.094 0.000 2.578 519 L HA 0.012 4.352 4.340 0.000 0.000 0.279 519 L C 1.658 178.557 176.870 0.048 0.000 1.227 519 L CA 1.216 56.110 54.840 0.091 0.000 0.900 519 L CB 0.084 42.197 42.059 0.090 0.000 1.144 519 L HN 0.647 nan 8.230 nan 0.000 0.496 520 G N 2.626 111.458 108.800 0.052 0.000 2.162 520 G HA2 -0.234 3.726 3.960 0.000 0.000 0.260 520 G HA3 -0.234 3.726 3.960 0.000 0.000 0.260 520 G C 0.163 175.090 174.900 0.046 0.000 0.976 520 G CA 0.151 45.275 45.100 0.039 0.000 0.655 520 G HN 0.999 nan 8.290 nan 0.000 0.533 521 A N -0.667 122.194 122.820 0.067 0.000 2.322 521 A HA 0.899 5.219 4.320 0.000 0.000 0.327 521 A C 0.360 178.034 177.584 0.149 0.000 1.134 521 A CA -0.167 51.923 52.037 0.089 0.000 0.831 521 A CB 1.042 20.074 19.000 0.053 0.000 1.288 521 A HN 0.685 nan 8.150 nan 0.000 0.472 522 R N 1.483 122.089 120.500 0.176 0.000 2.423 522 R HA 0.292 4.632 4.340 0.000 0.000 0.293 522 R C -1.594 174.870 176.300 0.273 0.000 1.196 522 R CA -0.168 56.037 56.100 0.175 0.000 1.262 522 R CB 0.424 30.789 30.300 0.109 0.000 1.116 522 R HN 0.773 nan 8.270 nan 0.000 0.566 523 W N 3.510 124.818 121.300 0.015 0.000 2.998 523 W HA 0.265 4.925 4.660 0.000 0.000 0.335 523 W C -1.060 175.454 176.519 -0.009 0.000 1.110 523 W CA -0.649 56.694 57.345 -0.003 0.000 1.230 523 W CB 2.214 31.677 29.460 0.005 0.000 1.405 523 W HN 0.488 nan 8.180 nan 0.000 0.493 524 S N 4.791 120.175 115.700 -0.527 0.000 2.537 524 S HA 0.491 4.961 4.470 0.000 0.000 0.275 524 S C -0.181 174.149 174.600 -0.450 0.000 1.272 524 S CA -0.697 57.261 58.200 -0.405 0.000 1.050 524 S CB 1.403 64.349 63.200 -0.423 0.000 0.961 524 S HN 0.438 nan 8.310 nan 0.000 0.496 525 L N 2.814 123.964 121.223 -0.123 0.000 2.499 525 L HA 0.063 4.403 4.340 0.000 0.000 0.273 525 L C 0.945 177.777 176.870 -0.064 0.000 1.195 525 L CA -0.304 54.548 54.840 0.020 0.000 0.882 525 L CB 0.121 42.238 42.059 0.097 0.000 1.133 525 L HN 0.755 nan 8.230 nan 0.000 0.483 526 D N 1.772 122.167 120.400 -0.008 0.000 2.263 526 D HA -0.187 4.453 4.640 0.000 0.000 0.208 526 D C 1.625 177.901 176.300 -0.039 0.000 0.971 526 D CA 1.424 55.384 54.000 -0.067 0.000 0.867 526 D CB 0.120 40.908 40.800 -0.021 0.000 0.929 526 D HN 0.479 nan 8.370 nan 0.000 0.492 527 Y N -0.170 120.156 120.300 0.042 0.000 2.286 527 Y HA -0.000 4.550 4.550 0.000 0.000 0.293 527 Y C 2.187 178.094 175.900 0.012 0.000 1.124 527 Y CA 0.643 58.764 58.100 0.035 0.000 1.178 527 Y CB -0.130 38.352 38.460 0.037 0.000 1.010 527 Y HN -0.043 nan 8.280 nan 0.000 0.536 528 M N -0.604 119.078 119.600 0.137 0.000 2.541 528 M HA -0.049 4.431 4.480 0.000 0.000 0.252 528 M C 1.056 177.346 176.300 -0.018 0.000 1.125 528 M CA 0.632 55.953 55.300 0.034 0.000 1.091 528 M CB -0.726 31.854 32.600 -0.033 0.000 1.420 528 M HN 0.148 nan 8.290 nan 0.000 0.486 529 D N 1.659 122.036 120.400 -0.038 0.000 2.116 529 D HA -0.156 4.484 4.640 0.000 0.000 0.193 529 D C 1.093 177.492 176.300 0.165 0.000 0.998 529 D CA 1.230 55.186 54.000 -0.074 0.000 0.836 529 D CB -0.245 40.438 40.800 -0.197 0.000 0.951 529 D HN 0.335 nan 8.370 nan 0.000 0.449 530 N N 0.022 118.860 118.700 0.230 0.000 2.314 530 N HA 0.032 4.772 4.740 0.000 0.000 0.200 530 N C -0.459 175.264 175.510 0.356 0.000 1.135 530 N CA 0.015 53.268 53.050 0.339 0.000 0.835 530 N CB 0.955 39.584 38.487 0.236 0.000 0.989 530 N HN 0.011 nan 8.380 nan 0.000 0.478 531 V N 1.673 121.695 119.914 0.181 0.000 2.407 531 V HA 0.118 4.238 4.120 0.000 0.000 0.278 531 V C 0.584 176.525 176.094 -0.256 0.000 1.037 531 V CA -1.152 61.178 62.300 0.049 0.000 0.900 531 V CB 1.349 33.184 31.823 0.021 0.000 0.983 531 V HN 0.179 nan 8.190 nan 0.000 0.459 532 N N 7.735 126.170 118.700 -0.442 0.000 2.386 532 N HA 0.025 4.765 4.740 0.000 0.000 0.273 532 N C -1.442 173.763 175.510 -0.508 0.000 1.331 532 N CA -1.201 51.281 53.050 -0.946 0.000 0.891 532 N CB 1.421 39.694 38.487 -0.357 0.000 1.139 532 N HN 0.338 nan 8.380 nan 0.000 0.487 533 P HA -0.032 nan 4.420 nan 0.000 0.225 533 P C 0.850 177.797 177.300 -0.589 0.000 1.156 533 P CA 0.982 63.638 63.100 -0.739 0.000 0.787 533 P CB 0.002 30.963 31.700 -1.232 0.000 0.802 534 F N -0.199 119.723 119.950 -0.047 0.000 2.367 534 F HA 0.023 4.550 4.527 0.000 0.000 0.298 534 F C 1.105 176.952 175.800 0.079 0.000 1.094 534 F CA 0.401 58.444 58.000 0.073 0.000 1.409 534 F CB -1.155 37.908 39.000 0.104 0.000 1.064 534 F HN -0.153 nan 8.300 nan 0.000 0.528 535 N N 1.467 120.283 118.700 0.193 0.000 2.671 535 N HA 0.004 4.744 4.740 0.000 0.000 0.274 535 N C -0.653 174.982 175.510 0.207 0.000 1.188 535 N CA 0.435 53.607 53.050 0.203 0.000 1.065 535 N CB -0.498 38.114 38.487 0.208 0.000 1.415 535 N HN 0.308 nan 8.380 nan 0.000 0.511 536 H N 0.544 119.646 119.070 0.054 0.000 3.064 536 H HA 0.028 4.584 4.556 0.000 0.000 0.352 536 H C 0.767 176.147 175.328 0.086 0.000 1.260 536 H CA -0.381 55.619 56.048 -0.080 0.000 1.160 536 H CB 1.205 30.711 29.762 -0.427 0.000 1.879 536 H HN 0.505 nan 8.280 nan 0.000 0.544 537 H N 2.331 121.445 119.070 0.073 0.000 2.546 537 H HA 0.069 4.625 4.556 0.000 0.000 0.277 537 H C 0.506 176.024 175.328 0.316 0.000 1.004 537 H CA 0.456 56.691 56.048 0.310 0.000 1.231 537 H CB 0.271 30.200 29.762 0.278 0.000 1.382 537 H HN 0.348 nan 8.280 nan 0.000 0.580 538 R N 0.937 121.465 120.500 0.046 0.000 2.388 538 R HA 0.033 4.373 4.340 0.000 0.000 0.247 538 R C 0.120 176.426 176.300 0.011 0.000 0.931 538 R CA -0.242 55.844 56.100 -0.022 0.000 1.082 538 R CB 0.120 30.328 30.300 -0.154 0.000 1.135 538 R HN 0.111 nan 8.270 nan 0.000 0.525 539 N N 1.204 119.941 118.700 0.062 0.000 2.415 539 N HA 0.050 4.790 4.740 0.000 0.000 0.250 539 N C 0.699 176.230 175.510 0.035 0.000 1.127 539 N CA -0.014 53.082 53.050 0.076 0.000 0.945 539 N CB 1.264 39.837 38.487 0.143 0.000 1.196 539 N HN 0.104 nan 8.380 nan 0.000 0.499 540 A N 3.712 126.564 122.820 0.054 0.000 1.917 540 A HA -0.103 4.217 4.320 0.000 0.000 0.219 540 A C 1.980 179.608 177.584 0.074 0.000 1.182 540 A CA 1.946 54.035 52.037 0.086 0.000 0.633 540 A CB -1.139 17.946 19.000 0.142 0.000 0.819 540 A HN 0.666 nan 8.150 nan 0.000 0.448 541 G N -0.128 108.690 108.800 0.029 0.000 2.459 541 G HA2 -0.171 3.789 3.960 0.000 0.000 0.217 541 G HA3 -0.171 3.789 3.960 0.000 0.000 0.217 541 G C 1.513 176.360 174.900 -0.089 0.000 1.183 541 G CA 1.298 46.313 45.100 -0.142 0.000 0.776 541 G HN 0.652 nan 8.290 nan 0.000 0.552 542 L N 0.493 121.701 121.223 -0.024 0.000 2.056 542 L HA 0.126 4.466 4.340 0.000 0.000 0.207 542 L C 2.669 179.493 176.870 -0.077 0.000 1.078 542 L CA 2.174 57.007 54.840 -0.012 0.000 0.749 542 L CB -0.619 41.471 42.059 0.051 0.000 0.901 542 L HN 0.232 nan 8.230 nan 0.000 0.433 543 R N -1.675 118.712 120.500 -0.187 0.000 2.083 543 R HA -0.273 4.067 4.340 0.000 0.000 0.237 543 R C 2.433 178.641 176.300 -0.154 0.000 1.137 543 R CA 2.167 58.003 56.100 -0.439 0.000 0.951 543 R CB -0.714 29.310 30.300 -0.459 0.000 0.851 543 R HN 0.582 nan 8.270 nan 0.000 0.434 544 Y N 0.750 120.961 120.300 -0.149 0.000 2.181 544 Y HA -0.170 4.380 4.550 0.000 0.000 0.288 544 Y C 2.123 177.975 175.900 -0.080 0.000 1.146 544 Y CA 1.727 59.776 58.100 -0.084 0.000 1.164 544 Y CB -0.006 38.388 38.460 -0.110 0.000 0.982 544 Y HN -0.020 nan 8.280 nan 0.000 0.515 545 R N -0.577 119.888 120.500 -0.059 0.000 2.115 545 R HA -0.133 4.207 4.340 0.000 0.000 0.230 545 R C 2.755 179.012 176.300 -0.072 0.000 1.111 545 R CA 1.236 57.275 56.100 -0.102 0.000 0.976 545 R CB -0.475 29.801 30.300 -0.041 0.000 0.870 545 R HN 0.301 nan 8.270 nan 0.000 0.445 546 S N 0.297 115.989 115.700 -0.014 0.000 2.368 546 S HA -0.113 4.357 4.470 0.000 0.000 0.224 546 S C 1.878 176.529 174.600 0.086 0.000 1.029 546 S CA 1.109 59.364 58.200 0.091 0.000 0.988 546 S CB 0.028 63.417 63.200 0.315 0.000 0.838 546 S HN 0.207 nan 8.310 nan 0.000 0.462 547 M N 0.434 120.050 119.600 0.027 0.000 2.319 547 M HA 0.020 4.500 4.480 0.000 0.000 0.265 547 M C 1.856 178.109 176.300 -0.079 0.000 1.068 547 M CA 0.592 55.902 55.300 0.017 0.000 1.118 547 M CB -0.288 32.323 32.600 0.019 0.000 1.395 547 M HN 0.288 nan 8.290 nan 0.000 0.435 548 L N 0.503 121.600 121.223 -0.210 0.000 2.127 548 L HA -0.153 4.187 4.340 0.000 0.000 0.211 548 L C 2.015 178.855 176.870 -0.049 0.000 1.089 548 L CA 1.842 56.552 54.840 -0.216 0.000 0.757 548 L CB -0.638 41.248 42.059 -0.288 0.000 0.899 548 L HN 0.313 nan 8.230 nan 0.000 0.434 549 L N -2.046 119.175 121.223 -0.004 0.000 2.209 549 L HA 0.259 4.599 4.340 0.000 0.000 0.207 549 L C 1.142 178.040 176.870 0.045 0.000 1.094 549 L CA 0.498 55.366 54.840 0.046 0.000 0.790 549 L CB -0.381 41.684 42.059 0.011 0.000 0.932 549 L HN 0.444 nan 8.230 nan 0.000 0.447 550 G N 0.111 108.941 108.800 0.051 0.000 2.334 550 G HA2 -0.185 3.775 3.960 0.000 0.000 0.315 550 G HA3 -0.185 3.775 3.960 0.000 0.000 0.315 550 G C -0.484 174.516 174.900 0.166 0.000 1.284 550 G CA -0.056 45.095 45.100 0.086 0.000 0.985 550 G HN 0.114 nan 8.290 nan 0.000 0.504 551 N N 0.075 118.888 118.700 0.187 0.000 2.203 551 N HA 0.343 5.083 4.740 0.000 0.000 0.207 551 N C 0.727 176.443 175.510 0.343 0.000 1.130 551 N CA 0.787 54.004 53.050 0.279 0.000 0.861 551 N CB 1.022 39.608 38.487 0.164 0.000 1.005 551 N HN 1.121 nan 8.380 nan 0.000 0.507 552 G N -0.119 108.832 108.800 0.252 0.000 2.432 552 G HA2 0.312 4.272 3.960 0.000 0.000 0.331 552 G HA3 0.312 4.272 3.960 0.000 0.000 0.331 552 G C 0.400 175.319 174.900 0.032 0.000 1.170 552 G CA -0.733 44.479 45.100 0.186 0.000 0.943 552 G HN 0.026 nan 8.290 nan 0.000 0.483 553 R N -0.303 120.162 120.500 -0.059 0.000 2.080 553 R HA -0.088 4.252 4.340 0.000 0.000 0.236 553 R C -0.086 175.966 176.300 -0.413 0.000 1.137 553 R CA 1.114 57.009 56.100 -0.341 0.000 0.943 553 R CB -0.295 29.632 30.300 -0.622 0.000 0.846 553 R HN 0.521 nan 8.270 nan 0.000 0.431 554 Y N 0.200 120.492 120.300 -0.013 0.000 2.365 554 Y HA 0.297 4.847 4.550 0.000 0.000 0.340 554 Y C -0.386 175.515 175.900 0.003 0.000 1.016 554 Y CA -0.648 57.447 58.100 -0.010 0.000 1.196 554 Y CB 1.393 39.858 38.460 0.009 0.000 1.167 554 Y HN -0.235 nan 8.280 nan 0.000 0.509 555 V N 5.725 125.737 119.914 0.165 0.000 2.569 555 V HA 0.416 4.536 4.120 0.000 0.000 0.301 555 V C -2.595 173.624 176.094 0.209 0.000 1.044 555 V CA -2.165 60.227 62.300 0.153 0.000 0.874 555 V CB 2.193 34.079 31.823 0.105 0.000 1.002 555 V HN 0.508 nan 8.190 nan 0.000 0.424 556 P HA 0.482 nan 4.420 nan 0.000 0.293 556 P C -1.040 176.349 177.300 0.149 0.000 1.300 556 P CA -0.198 62.942 63.100 0.066 0.000 0.792 556 P CB 0.647 32.354 31.700 0.011 0.000 0.925 557 F N 0.120 120.143 119.950 0.121 0.000 2.556 557 F HA 0.673 5.200 4.527 0.000 0.000 0.327 557 F C -0.571 175.330 175.800 0.169 0.000 1.059 557 F CA -1.122 56.980 58.000 0.169 0.000 0.953 557 F CB 1.742 40.909 39.000 0.278 0.000 1.227 557 F HN 0.358 nan 8.300 nan 0.000 0.478 558 H N 3.858 123.072 119.070 0.240 0.000 3.108 558 H HA 0.624 5.180 4.556 0.000 0.000 0.329 558 H C -1.364 174.024 175.328 0.100 0.000 0.978 558 H CA -0.884 55.226 56.048 0.103 0.000 1.413 558 H CB 1.481 31.262 29.762 0.032 0.000 1.670 558 H HN 0.875 nan 8.280 nan 0.000 0.512 559 I N 0.968 121.647 120.570 0.182 0.000 3.145 559 I HA 0.527 4.697 4.170 0.000 0.000 0.313 559 I C -1.576 174.462 176.117 -0.131 0.000 1.122 559 I CA -1.264 59.977 61.300 -0.099 0.000 0.987 559 I CB 2.720 40.490 38.000 -0.383 0.000 1.236 559 I HN 0.398 nan 8.210 nan 0.000 0.453 560 Q N 2.449 122.144 119.800 -0.174 0.000 2.327 560 Q HA 0.608 4.948 4.340 0.000 0.000 0.270 560 Q C -1.244 174.864 176.000 0.180 0.000 1.022 560 Q CA -0.521 55.267 55.803 -0.024 0.000 0.773 560 Q CB 2.525 31.010 28.738 -0.422 0.000 1.251 560 Q HN 0.551 nan 8.270 nan 0.000 0.457 561 V N 4.240 124.298 119.914 0.240 0.000 2.435 561 V HA 0.621 4.741 4.120 0.000 0.000 0.290 561 V C -2.219 174.023 176.094 0.247 0.000 1.030 561 V CA -1.964 60.476 62.300 0.233 0.000 0.881 561 V CB 1.473 33.350 31.823 0.090 0.000 0.983 561 V HN 0.670 nan 8.190 nan 0.000 0.445 562 P HA 0.348 nan 4.420 nan 0.000 0.287 562 P C -1.262 175.887 177.300 -0.251 0.000 1.270 562 P CA -0.795 62.078 63.100 -0.379 0.000 0.844 562 P CB 1.085 32.255 31.700 -0.882 0.000 1.068 563 Q N 1.351 120.983 119.800 -0.280 0.000 2.294 563 Q HA 0.179 4.519 4.340 0.000 0.000 0.257 563 Q C 0.277 176.130 176.000 -0.244 0.000 0.955 563 Q CA 0.607 56.279 55.803 -0.220 0.000 0.936 563 Q CB 0.747 29.357 28.738 -0.214 0.000 1.188 563 Q HN 0.270 nan 8.270 nan 0.000 0.420 564 K N 3.332 123.629 120.400 -0.172 0.000 2.370 564 K HA 0.152 4.472 4.320 0.000 0.000 0.194 564 K C -0.219 176.277 176.600 -0.173 0.000 1.070 564 K CA -0.259 55.798 56.287 -0.383 0.000 0.998 564 K CB 0.291 32.370 32.500 -0.701 0.000 0.911 564 K HN 0.494 nan 8.250 nan 0.000 0.533 565 F N 2.815 122.658 119.950 -0.179 0.000 2.580 565 F HA -0.149 4.378 4.527 0.000 0.000 0.398 565 F C 1.083 176.873 175.800 -0.016 0.000 1.023 565 F CA -0.866 57.132 58.000 -0.004 0.000 1.188 565 F CB 0.193 39.349 39.000 0.261 0.000 1.005 565 F HN 0.070 nan 8.300 nan 0.000 0.546 566 F N 4.382 123.947 119.950 -0.643 0.000 2.161 566 F HA -0.084 4.443 4.527 0.000 0.000 0.300 566 F C 1.739 177.253 175.800 -0.477 0.000 1.089 566 F CA 1.333 59.056 58.000 -0.461 0.000 1.282 566 F CB -1.194 37.620 39.000 -0.310 0.000 1.010 566 F HN 0.381 nan 8.300 nan 0.000 0.485 567 A N 1.039 122.906 122.820 -1.588 0.000 2.119 567 A HA 0.082 4.402 4.320 0.000 0.000 0.217 567 A C 2.058 179.324 177.584 -0.529 0.000 1.153 567 A CA 1.513 52.974 52.037 -0.960 0.000 0.692 567 A CB -1.133 17.437 19.000 -0.717 0.000 0.799 567 A HN 0.759 nan 8.150 nan 0.000 0.458 568 I N -4.045 116.310 120.570 -0.359 0.000 4.456 568 I HA 0.156 4.326 4.170 0.000 0.000 0.329 568 I C 1.724 177.641 176.117 -0.333 0.000 1.313 568 I CA 0.507 61.641 61.300 -0.276 0.000 1.205 568 I CB -0.034 37.940 38.000 -0.043 0.000 1.179 568 I HN 0.155 nan 8.210 nan 0.000 0.419 569 K N 2.204 122.421 120.400 -0.306 0.000 2.113 569 K HA -0.141 4.179 4.320 0.000 0.000 0.208 569 K C 0.632 177.077 176.600 -0.257 0.000 1.047 569 K CA 2.516 58.658 56.287 -0.241 0.000 0.928 569 K CB -0.694 31.715 32.500 -0.153 0.000 0.716 569 K HN 0.503 nan 8.250 nan 0.000 0.446 570 N N 0.228 118.690 118.700 -0.396 0.000 2.177 570 N HA 0.143 4.883 4.740 0.000 0.000 0.218 570 N C -0.835 174.534 175.510 -0.235 0.000 1.182 570 N CA -0.513 52.388 53.050 -0.249 0.000 0.882 570 N CB 0.610 39.049 38.487 -0.080 0.000 1.052 570 N HN 0.035 nan 8.380 nan 0.000 0.519 571 L N 1.509 122.488 121.223 -0.407 0.000 2.490 571 L HA 0.202 4.542 4.340 0.000 0.000 0.274 571 L C -0.430 176.388 176.870 -0.088 0.000 1.201 571 L CA -0.159 54.568 54.840 -0.189 0.000 0.869 571 L CB 0.471 42.377 42.059 -0.255 0.000 1.123 571 L HN 0.070 nan 8.230 nan 0.000 0.484 572 L N 5.807 127.038 121.223 0.012 0.000 2.259 572 L HA 0.389 4.729 4.340 0.000 0.000 0.288 572 L C -0.824 176.015 176.870 -0.051 0.000 1.051 572 L CA -0.186 54.640 54.840 -0.023 0.000 0.824 572 L CB 0.803 42.871 42.059 0.016 0.000 1.206 572 L HN 0.616 nan 8.230 nan 0.000 0.429 573 L N 5.771 126.925 121.223 -0.116 0.000 2.313 573 L HA 0.365 4.705 4.340 0.000 0.000 0.282 573 L C -0.211 176.641 176.870 -0.030 0.000 1.092 573 L CA 0.370 55.113 54.840 -0.161 0.000 0.831 573 L CB 0.624 42.490 42.059 -0.321 0.000 1.159 573 L HN 0.540 nan 8.230 nan 0.000 0.442 574 L N 5.856 127.101 121.223 0.036 0.000 2.479 574 L HA 0.442 4.782 4.340 0.000 0.000 0.249 574 L C -1.890 175.116 176.870 0.227 0.000 1.178 574 L CA -2.089 52.819 54.840 0.113 0.000 0.811 574 L CB 0.034 42.144 42.059 0.085 0.000 1.187 574 L HN 0.465 nan 8.230 nan 0.000 0.480 575 P HA 0.236 nan 4.420 nan 0.000 0.269 575 P C -0.155 177.235 177.300 0.150 0.000 1.209 575 P CA 0.235 63.438 63.100 0.172 0.000 0.776 575 P CB 0.707 32.460 31.700 0.088 0.000 0.876 576 G N 0.342 109.184 108.800 0.070 0.000 2.368 576 G HA2 0.222 4.182 3.960 0.000 0.000 0.302 576 G HA3 0.222 4.182 3.960 0.000 0.000 0.302 576 G C -1.479 173.191 174.900 -0.385 0.000 1.329 576 G CA -0.613 44.362 45.100 -0.210 0.000 0.935 576 G HN 0.376 nan 8.290 nan 0.000 0.590 577 S N -0.186 115.189 115.700 -0.541 0.000 2.451 577 S HA 0.805 5.275 4.470 0.000 0.000 0.301 577 S C -1.228 173.022 174.600 -0.584 0.000 1.116 577 S CA -0.340 57.641 58.200 -0.365 0.000 1.093 577 S CB 0.673 63.789 63.200 -0.141 0.000 1.017 577 S HN 0.484 nan 8.310 nan 0.000 0.482 578 Y N 0.331 120.639 120.300 0.014 0.000 2.536 578 Y HA 0.433 4.983 4.550 0.000 0.000 0.347 578 Y C 0.566 176.507 175.900 0.069 0.000 1.000 578 Y CA -1.087 57.031 58.100 0.031 0.000 1.051 578 Y CB 1.255 39.718 38.460 0.004 0.000 1.259 578 Y HN 0.320 nan 8.280 nan 0.000 0.468 579 T N 2.705 117.417 114.554 0.264 0.000 2.738 579 T HA 0.193 4.543 4.350 0.000 0.000 0.298 579 T C -1.595 173.321 174.700 0.359 0.000 0.962 579 T CA -0.229 62.017 62.100 0.243 0.000 0.972 579 T CB -0.403 68.559 68.868 0.157 0.000 0.928 579 T HN 0.391 nan 8.240 nan 0.000 0.474 580 Y N 3.601 124.042 120.300 0.234 0.000 2.328 580 Y HA 0.514 5.064 4.550 0.000 0.000 0.333 580 Y C -0.190 175.967 175.900 0.427 0.000 0.958 580 Y CA -1.752 56.535 58.100 0.311 0.000 1.167 580 Y CB 0.869 39.481 38.460 0.253 0.000 1.151 580 Y HN 0.629 nan 8.280 nan 0.000 0.470 581 E N 6.100 126.465 120.200 0.274 0.000 2.314 581 E HA 0.334 4.684 4.350 0.000 0.000 0.272 581 E C -1.923 174.731 176.600 0.089 0.000 0.884 581 E CA -0.541 55.940 56.400 0.136 0.000 0.753 581 E CB 1.668 31.393 29.700 0.043 0.000 1.213 581 E HN 0.694 nan 8.360 nan 0.000 0.432 582 W N 2.586 123.753 121.300 -0.223 0.000 3.118 582 W HA 0.382 5.042 4.660 0.000 0.000 0.328 582 W C -1.150 175.117 176.519 -0.419 0.000 1.239 582 W CA -0.632 56.467 57.345 -0.410 0.000 1.176 582 W CB 2.226 31.283 29.460 -0.672 0.000 1.433 582 W HN 0.529 nan 8.180 nan 0.000 0.562 583 N N 2.171 120.614 118.700 -0.428 0.000 2.399 583 N HA 0.484 5.224 4.740 0.000 0.000 0.295 583 N C -1.538 173.853 175.510 -0.199 0.000 1.048 583 N CA -0.252 52.690 53.050 -0.181 0.000 0.886 583 N CB 1.683 40.031 38.487 -0.233 0.000 1.185 583 N HN 0.036 nan 8.380 nan 0.000 0.487 584 F N 0.635 120.749 119.950 0.273 0.000 2.520 584 F HA 0.460 4.987 4.527 0.000 0.000 0.322 584 F C 1.027 177.031 175.800 0.340 0.000 1.103 584 F CA -0.878 57.231 58.000 0.182 0.000 0.926 584 F CB 1.339 40.255 39.000 -0.141 0.000 1.154 584 F HN 0.086 nan 8.300 nan 0.000 0.453 585 R N 1.442 122.121 120.500 0.299 0.000 2.582 585 R HA 0.303 4.643 4.340 0.000 0.000 0.271 585 R C 0.621 177.204 176.300 0.472 0.000 1.078 585 R CA -0.213 56.039 56.100 0.254 0.000 1.127 585 R CB 0.862 31.127 30.300 -0.058 0.000 1.038 585 R HN 0.713 nan 8.270 nan 0.000 0.500 586 K N 0.295 120.952 120.400 0.428 0.000 2.450 586 K HA 0.012 4.332 4.320 0.000 0.000 0.206 586 K C -0.474 176.275 176.600 0.247 0.000 1.148 586 K CA -0.080 56.410 56.287 0.340 0.000 1.014 586 K CB 0.602 33.290 32.500 0.313 0.000 0.966 586 K HN 0.484 nan 8.250 nan 0.000 0.566 587 D N 1.998 122.576 120.400 0.297 0.000 2.389 587 D HA -0.054 4.586 4.640 0.000 0.000 0.263 587 D C 1.385 177.789 176.300 0.173 0.000 1.255 587 D CA -0.034 54.131 54.000 0.275 0.000 0.914 587 D CB 1.193 42.171 40.800 0.297 0.000 1.116 587 D HN -0.033 nan 8.370 nan 0.000 0.502 588 V N 2.484 122.470 119.914 0.120 0.000 2.469 588 V HA -0.237 3.883 4.120 0.000 0.000 0.251 588 V C 1.690 177.811 176.094 0.045 0.000 1.064 588 V CA 1.426 63.753 62.300 0.046 0.000 1.066 588 V CB -0.620 31.198 31.823 -0.007 0.000 0.667 588 V HN 0.388 nan 8.190 nan 0.000 0.461 589 N N -0.243 118.505 118.700 0.079 0.000 2.453 589 N HA 0.019 4.759 4.740 0.000 0.000 0.183 589 N C 1.564 177.192 175.510 0.196 0.000 1.041 589 N CA 1.530 54.624 53.050 0.074 0.000 0.900 589 N CB -0.146 38.360 38.487 0.032 0.000 0.961 589 N HN 0.488 nan 8.380 nan 0.000 0.443 590 M N -0.765 118.948 119.600 0.188 0.000 2.557 590 M HA 0.096 4.576 4.480 0.000 0.000 0.262 590 M C 2.092 178.484 176.300 0.153 0.000 1.168 590 M CA 0.617 56.024 55.300 0.177 0.000 1.194 590 M CB -0.839 31.827 32.600 0.109 0.000 1.311 590 M HN 0.017 nan 8.290 nan 0.000 0.489 591 V N -0.707 119.300 119.914 0.155 0.000 2.871 591 V HA 0.131 4.251 4.120 0.000 0.000 0.256 591 V C 0.958 177.140 176.094 0.147 0.000 1.082 591 V CA 0.550 62.978 62.300 0.213 0.000 1.105 591 V CB -0.355 31.642 31.823 0.292 0.000 0.713 591 V HN 0.204 nan 8.190 nan 0.000 0.473 592 L N 0.913 122.147 121.223 0.018 0.000 2.322 592 L HA 0.639 4.979 4.340 0.000 0.000 0.269 592 L C -0.386 176.460 176.870 -0.040 0.000 1.012 592 L CA -0.464 54.321 54.840 -0.093 0.000 0.815 592 L CB 1.743 43.680 42.059 -0.202 0.000 1.295 592 L HN 0.277 nan 8.230 nan 0.000 0.438 593 Q N 1.118 120.884 119.800 -0.056 0.000 2.331 593 Q HA 0.556 4.896 4.340 0.000 0.000 0.272 593 Q C -1.529 174.456 176.000 -0.024 0.000 1.062 593 Q CA -0.559 55.224 55.803 -0.033 0.000 0.806 593 Q CB 2.519 31.266 28.738 0.015 0.000 1.312 593 Q HN 0.775 nan 8.270 nan 0.000 0.431 594 S N 0.799 116.478 115.700 -0.035 0.000 2.600 594 S HA 0.411 4.881 4.470 0.000 0.000 0.300 594 S C 0.563 175.202 174.600 0.065 0.000 1.087 594 S CA -0.074 58.138 58.200 0.020 0.000 0.965 594 S CB 1.685 64.873 63.200 -0.019 0.000 1.089 594 S HN 0.733 nan 8.310 nan 0.000 0.496 595 S N 0.852 116.640 115.700 0.147 0.000 2.436 595 S HA 0.005 4.475 4.470 0.000 0.000 0.228 595 S C 1.374 176.080 174.600 0.176 0.000 1.014 595 S CA 0.269 58.588 58.200 0.199 0.000 0.950 595 S CB -0.546 62.842 63.200 0.313 0.000 0.784 595 S HN 0.490 nan 8.310 nan 0.000 0.504 596 L N 1.561 122.854 121.223 0.117 0.000 2.375 596 L HA 0.373 4.713 4.340 0.000 0.000 0.215 596 L C 1.948 178.848 176.870 0.049 0.000 1.108 596 L CA 1.136 56.026 54.840 0.084 0.000 0.830 596 L CB -1.469 40.629 42.059 0.066 0.000 0.959 596 L HN 0.597 nan 8.230 nan 0.000 0.457 597 G N 0.364 109.147 108.800 -0.028 0.000 2.160 597 G HA2 -0.315 3.645 3.960 0.000 0.000 0.251 597 G HA3 -0.315 3.645 3.960 0.000 0.000 0.251 597 G C 0.459 175.263 174.900 -0.160 0.000 1.008 597 G CA 0.498 45.474 45.100 -0.208 0.000 0.724 597 G HN 0.557 nan 8.290 nan 0.000 0.514 598 N N 0.329 118.995 118.700 -0.056 0.000 2.260 598 N HA 0.224 4.964 4.740 0.000 0.000 0.230 598 N C -0.388 175.080 175.510 -0.069 0.000 1.323 598 N CA 0.073 53.112 53.050 -0.018 0.000 0.897 598 N CB 0.548 39.069 38.487 0.058 0.000 1.146 598 N HN 0.117 nan 8.380 nan 0.000 0.460 599 D N 0.275 120.651 120.400 -0.039 0.000 2.402 599 D HA 0.118 4.758 4.640 0.000 0.000 0.235 599 D C 1.111 177.387 176.300 -0.041 0.000 1.226 599 D CA -0.302 53.664 54.000 -0.056 0.000 0.918 599 D CB -0.092 40.688 40.800 -0.034 0.000 1.043 599 D HN 0.479 nan 8.370 nan 0.000 0.506 600 L N 3.569 124.756 121.223 -0.060 0.000 2.265 600 L HA -0.149 4.191 4.340 0.000 0.000 0.215 600 L C 2.423 179.282 176.870 -0.018 0.000 1.117 600 L CA 0.685 55.497 54.840 -0.047 0.000 0.782 600 L CB -0.229 41.791 42.059 -0.065 0.000 0.914 600 L HN 0.345 nan 8.230 nan 0.000 0.441 601 R N -0.494 120.007 120.500 0.001 0.000 2.066 601 R HA -0.079 4.261 4.340 0.000 0.000 0.232 601 R C 2.199 178.513 176.300 0.023 0.000 1.131 601 R CA 1.099 57.218 56.100 0.031 0.000 0.955 601 R CB -0.842 29.498 30.300 0.066 0.000 0.851 601 R HN 0.180 nan 8.270 nan 0.000 0.432 602 V N 2.237 122.160 119.914 0.015 0.000 2.453 602 V HA -0.143 3.977 4.120 0.000 0.000 0.247 602 V C 0.942 177.041 176.094 0.009 0.000 1.048 602 V CA 1.681 63.990 62.300 0.015 0.000 1.049 602 V CB -0.368 31.462 31.823 0.012 0.000 0.672 602 V HN 0.197 nan 8.190 nan 0.000 0.457 603 D N 0.253 120.653 120.400 -0.000 0.000 2.332 603 D HA 0.163 4.803 4.640 0.000 0.000 0.244 603 D C 1.690 177.973 176.300 -0.027 0.000 1.136 603 D CA 0.948 54.941 54.000 -0.011 0.000 0.884 603 D CB -0.100 40.694 40.800 -0.010 0.000 0.906 603 D HN 0.492 nan 8.370 nan 0.000 0.520 604 G N 0.278 109.069 108.800 -0.014 0.000 2.155 604 G HA2 -0.272 3.688 3.960 0.000 0.000 0.257 604 G HA3 -0.272 3.688 3.960 0.000 0.000 0.257 604 G C 0.604 175.489 174.900 -0.025 0.000 0.983 604 G CA 0.273 45.365 45.100 -0.013 0.000 0.676 604 G HN 0.620 nan 8.290 nan 0.000 0.528 605 A N -0.531 122.264 122.820 -0.041 0.000 2.407 605 A HA 0.766 5.086 4.320 0.000 0.000 0.248 605 A C 0.638 178.198 177.584 -0.039 0.000 1.082 605 A CA 1.082 53.081 52.037 -0.063 0.000 0.785 605 A CB 0.964 19.909 19.000 -0.092 0.000 1.020 605 A HN 1.478 nan 8.150 nan 0.000 0.489 606 S N 0.448 116.123 115.700 -0.043 0.000 2.564 606 S HA 0.744 5.214 4.470 0.000 0.000 0.274 606 S C -1.176 173.401 174.600 -0.038 0.000 1.124 606 S CA -0.481 57.706 58.200 -0.022 0.000 0.869 606 S CB 0.939 64.144 63.200 0.008 0.000 1.105 606 S HN 0.889 nan 8.310 nan 0.000 0.472 607 I N 3.316 123.856 120.570 -0.051 0.000 2.644 607 I HA 0.529 4.699 4.170 0.000 0.000 0.291 607 I C -1.578 174.438 176.117 -0.168 0.000 1.180 607 I CA -0.507 60.743 61.300 -0.085 0.000 1.040 607 I CB 1.721 39.629 38.000 -0.152 0.000 1.255 607 I HN 0.741 nan 8.210 nan 0.000 0.422 608 K N 6.684 127.000 120.400 -0.141 0.000 2.443 608 K HA 0.469 4.789 4.320 0.000 0.000 0.252 608 K C -2.112 174.367 176.600 -0.201 0.000 0.933 608 K CA -0.492 55.690 56.287 -0.175 0.000 0.792 608 K CB 1.441 33.910 32.500 -0.053 0.000 1.185 608 K HN 0.326 nan 8.250 nan 0.000 0.425 609 F N 3.322 123.293 119.950 0.035 0.000 2.404 609 F HA 0.217 4.744 4.527 0.000 0.000 0.358 609 F C 0.859 176.578 175.800 -0.136 0.000 1.120 609 F CA -0.613 57.302 58.000 -0.141 0.000 1.144 609 F CB 1.304 40.025 39.000 -0.465 0.000 1.133 609 F HN 0.661 nan 8.300 nan 0.000 0.495 610 D N 0.585 120.987 120.400 0.004 0.000 2.262 610 D HA 0.014 4.654 4.640 0.000 0.000 0.212 610 D C 0.496 176.786 176.300 -0.017 0.000 0.964 610 D CA 0.977 54.966 54.000 -0.019 0.000 0.875 610 D CB 0.428 41.177 40.800 -0.086 0.000 0.996 610 D HN 0.427 nan 8.370 nan 0.000 0.497 611 S N -0.422 115.232 115.700 -0.078 0.000 2.542 611 S HA 0.540 5.010 4.470 0.000 0.000 0.276 611 S C -1.243 173.293 174.600 -0.108 0.000 1.148 611 S CA -1.009 57.156 58.200 -0.059 0.000 0.886 611 S CB 1.680 64.860 63.200 -0.033 0.000 1.109 611 S HN 0.088 nan 8.310 nan 0.000 0.458 612 I N 2.227 122.762 120.570 -0.059 0.000 2.499 612 I HA 0.741 4.911 4.170 0.000 0.000 0.288 612 I C -1.139 175.122 176.117 0.240 0.000 1.048 612 I CA -0.258 61.026 61.300 -0.027 0.000 1.062 612 I CB 1.078 38.910 38.000 -0.280 0.000 1.238 612 I HN 0.974 nan 8.210 nan 0.000 0.426 613 C N 5.919 125.377 119.300 0.264 0.000 2.630 613 C HA 0.723 5.183 4.460 0.000 0.000 0.346 613 C C -0.680 174.383 174.990 0.122 0.000 1.245 613 C CA -0.633 58.550 59.018 0.275 0.000 1.804 613 C CB 1.724 29.563 27.740 0.164 0.000 2.279 613 C HN 0.689 nan 8.230 nan 0.000 0.498 614 L N 1.842 122.976 121.223 -0.149 0.000 2.349 614 L HA 0.607 4.947 4.340 0.000 0.000 0.278 614 L C -1.480 175.243 176.870 -0.245 0.000 0.996 614 L CA -0.031 54.609 54.840 -0.334 0.000 0.825 614 L CB 0.311 41.900 42.059 -0.783 0.000 1.243 614 L HN 0.641 nan 8.230 nan 0.000 0.412 615 Y N 3.610 123.674 120.300 -0.393 0.000 2.420 615 Y HA 0.834 5.384 4.550 0.000 0.000 0.334 615 Y C 0.209 175.944 175.900 -0.275 0.000 1.094 615 Y CA -0.224 57.641 58.100 -0.392 0.000 1.126 615 Y CB 2.272 40.259 38.460 -0.787 0.000 1.217 615 Y HN 0.777 nan 8.280 nan 0.000 0.462 616 A N 1.515 124.401 122.820 0.110 0.000 2.465 616 A HA 0.673 4.993 4.320 0.000 0.000 0.292 616 A C -1.106 176.564 177.584 0.144 0.000 1.041 616 A CA -0.706 51.373 52.037 0.070 0.000 0.718 616 A CB 0.907 19.974 19.000 0.112 0.000 1.266 616 A HN 0.589 nan 8.150 nan 0.000 0.403 617 T N 2.072 116.645 114.554 0.032 0.000 2.824 617 T HA 0.706 5.056 4.350 0.000 0.000 0.280 617 T C -0.979 173.736 174.700 0.026 0.000 0.995 617 T CA 0.109 62.297 62.100 0.147 0.000 1.009 617 T CB 0.336 69.302 68.868 0.163 0.000 0.955 617 T HN 0.333 nan 8.240 nan 0.000 0.452 618 F N 1.639 121.663 119.950 0.123 0.000 2.507 618 F HA 0.493 5.020 4.527 0.000 0.000 0.325 618 F C -0.113 175.783 175.800 0.159 0.000 1.116 618 F CA -1.832 56.254 58.000 0.144 0.000 0.930 618 F CB 1.028 40.105 39.000 0.128 0.000 1.146 618 F HN 0.522 nan 8.300 nan 0.000 0.447 619 F N 6.148 126.233 119.950 0.224 0.000 2.543 619 F HA 0.290 4.817 4.527 0.000 0.000 0.375 619 F C -1.660 174.247 175.800 0.179 0.000 1.075 619 F CA -2.120 55.974 58.000 0.158 0.000 1.225 619 F CB 0.740 39.807 39.000 0.111 0.000 1.099 619 F HN 0.216 nan 8.300 nan 0.000 0.561 620 P HA 0.001 nan 4.420 nan 0.000 0.228 620 P C -0.058 177.306 177.300 0.108 0.000 1.748 620 P CA 0.019 63.118 63.100 -0.002 0.000 0.909 620 P CB -0.302 31.328 31.700 -0.117 0.000 1.882 621 M N 1.150 121.003 119.600 0.423 0.000 2.250 621 M HA 0.190 4.670 4.480 0.000 0.000 0.337 621 M C 0.300 176.801 176.300 0.335 0.000 1.161 621 M CA -0.056 55.545 55.300 0.503 0.000 1.088 621 M CB 0.554 33.434 32.600 0.466 0.000 1.639 621 M HN 0.151 nan 8.290 nan 0.000 0.447 622 A N 4.287 127.269 122.820 0.270 0.000 2.540 622 A HA 0.010 4.330 4.320 0.000 0.000 0.239 622 A C 0.652 178.408 177.584 0.287 0.000 1.061 622 A CA 0.191 52.351 52.037 0.204 0.000 0.758 622 A CB -0.245 18.848 19.000 0.154 0.000 0.991 622 A HN 1.103 nan 8.150 nan 0.000 0.502 623 H N 2.002 121.122 119.070 0.082 0.000 2.352 623 H HA -0.185 4.371 4.556 0.000 0.000 0.299 623 H C 1.891 177.258 175.328 0.064 0.000 1.097 623 H CA 1.423 57.513 56.048 0.069 0.000 1.311 623 H CB 0.154 29.947 29.762 0.052 0.000 1.377 623 H HN 0.911 nan 8.280 nan 0.000 0.504 624 N N 0.859 119.673 118.700 0.190 0.000 2.084 624 N HA -0.126 4.614 4.740 0.000 0.000 0.190 624 N C 1.705 177.278 175.510 0.105 0.000 1.030 624 N CA 1.758 54.881 53.050 0.122 0.000 0.849 624 N CB -1.055 37.491 38.487 0.097 0.000 1.012 624 N HN 0.207 nan 8.380 nan 0.000 0.423 625 T N 1.424 116.048 114.554 0.118 0.000 2.674 625 T HA 0.004 4.354 4.350 0.000 0.000 0.265 625 T C 2.199 176.950 174.700 0.086 0.000 1.039 625 T CA 2.006 64.165 62.100 0.098 0.000 1.150 625 T CB -0.684 68.250 68.868 0.110 0.000 0.864 625 T HN 0.515 nan 8.240 nan 0.000 0.427 626 A N 1.534 124.421 122.820 0.112 0.000 1.892 626 A HA -0.171 4.149 4.320 0.000 0.000 0.218 626 A C 2.602 180.221 177.584 0.058 0.000 1.188 626 A CA 2.524 54.615 52.037 0.090 0.000 0.631 626 A CB -1.246 17.819 19.000 0.107 0.000 0.822 626 A HN 0.525 nan 8.150 nan 0.000 0.447 627 S N -1.232 114.502 115.700 0.056 0.000 2.370 627 S HA -0.168 4.302 4.470 0.000 0.000 0.226 627 S C 1.999 176.622 174.600 0.037 0.000 1.033 627 S CA 2.348 60.572 58.200 0.039 0.000 1.011 627 S CB -0.806 62.420 63.200 0.043 0.000 0.852 627 S HN 0.562 nan 8.310 nan 0.000 0.457 628 T N 2.333 116.914 114.554 0.043 0.000 2.777 628 T HA 0.020 4.370 4.350 0.000 0.000 0.266 628 T C 1.693 176.408 174.700 0.026 0.000 1.040 628 T CA 1.371 63.491 62.100 0.035 0.000 1.141 628 T CB -0.520 68.372 68.868 0.039 0.000 0.868 628 T HN 0.403 nan 8.240 nan 0.000 0.444 629 L N 1.325 122.564 121.223 0.027 0.000 2.083 629 L HA -0.013 4.327 4.340 0.000 0.000 0.209 629 L C 2.387 179.265 176.870 0.013 0.000 1.083 629 L CA 1.856 56.705 54.840 0.016 0.000 0.752 629 L CB -0.490 41.576 42.059 0.013 0.000 0.899 629 L HN 0.275 nan 8.230 nan 0.000 0.433 630 E N -0.275 119.937 120.200 0.020 0.000 2.031 630 E HA -0.270 4.080 4.350 0.000 0.000 0.193 630 E C 2.138 178.741 176.600 0.005 0.000 0.994 630 E CA 1.270 57.680 56.400 0.017 0.000 0.800 630 E CB -0.273 29.442 29.700 0.025 0.000 0.752 630 E HN 0.609 nan 8.360 nan 0.000 0.447 631 A N 1.092 123.917 122.820 0.009 0.000 1.903 631 A HA -0.260 4.060 4.320 0.000 0.000 0.219 631 A C 2.263 179.844 177.584 -0.004 0.000 1.191 631 A CA 2.253 54.292 52.037 0.003 0.000 0.638 631 A CB -0.663 18.344 19.000 0.012 0.000 0.823 631 A HN 0.361 nan 8.150 nan 0.000 0.451 632 M N -0.801 118.799 119.600 0.000 0.000 2.086 632 M HA -0.077 4.403 4.480 0.000 0.000 0.261 632 M C 1.936 178.230 176.300 -0.009 0.000 1.067 632 M CA 1.358 56.657 55.300 -0.002 0.000 1.116 632 M CB -0.468 32.132 32.600 0.000 0.000 1.348 632 M HN 0.340 nan 8.290 nan 0.000 0.407 633 L N -0.521 120.695 121.223 -0.011 0.000 2.549 633 L HA -0.123 4.217 4.340 0.000 0.000 0.229 633 L C 2.262 179.108 176.870 -0.039 0.000 1.158 633 L CA 0.574 55.404 54.840 -0.017 0.000 0.842 633 L CB -0.548 41.504 42.059 -0.011 0.000 0.952 633 L HN 0.284 nan 8.230 nan 0.000 0.452 634 R N -0.337 120.132 120.500 -0.052 0.000 2.276 634 R HA 0.068 4.408 4.340 0.000 0.000 0.196 634 R C 0.098 176.337 176.300 -0.102 0.000 0.961 634 R CA 0.029 56.063 56.100 -0.109 0.000 1.024 634 R CB -0.018 30.215 30.300 -0.111 0.000 0.940 634 R HN 0.378 nan 8.270 nan 0.000 0.480 635 N N 1.702 120.385 118.700 -0.028 0.000 2.499 635 N HA -0.022 4.718 4.740 0.000 0.000 0.281 635 N C 0.223 175.783 175.510 0.083 0.000 1.098 635 N CA 0.090 53.154 53.050 0.024 0.000 0.979 635 N CB 1.279 39.776 38.487 0.017 0.000 1.121 635 N HN 0.117 nan 8.380 nan 0.000 0.466 636 D N -0.454 120.048 120.400 0.170 0.000 2.182 636 D HA -0.212 4.428 4.640 0.000 0.000 0.201 636 D C 1.622 177.960 176.300 0.063 0.000 0.986 636 D CA 1.473 55.578 54.000 0.176 0.000 0.847 636 D CB -0.296 40.514 40.800 0.016 0.000 0.942 636 D HN 0.603 nan 8.370 nan 0.000 0.467 637 T N -1.211 113.362 114.554 0.032 0.000 2.897 637 T HA -0.155 4.195 4.350 0.000 0.000 0.271 637 T C 1.080 175.781 174.700 0.001 0.000 1.084 637 T CA 0.929 63.033 62.100 0.006 0.000 1.123 637 T CB -0.410 68.459 68.868 0.000 0.000 0.865 637 T HN 0.002 nan 8.240 nan 0.000 0.496 638 N N 1.853 120.560 118.700 0.011 0.000 2.320 638 N HA 0.201 4.941 4.740 0.000 0.000 0.237 638 N C -0.947 174.563 175.510 -0.001 0.000 1.129 638 N CA -0.208 52.840 53.050 -0.003 0.000 0.854 638 N CB 0.157 38.640 38.487 -0.006 0.000 1.083 638 N HN 0.480 nan 8.380 nan 0.000 0.504 639 D N 1.307 121.718 120.400 0.017 0.000 2.424 639 D HA 0.060 4.700 4.640 0.000 0.000 0.244 639 D C 0.658 176.931 176.300 -0.045 0.000 1.134 639 D CA 0.390 54.406 54.000 0.027 0.000 0.881 639 D CB 1.056 41.894 40.800 0.064 0.000 1.191 639 D HN 0.125 nan 8.370 nan 0.000 0.445 640 Q N 0.430 120.197 119.800 -0.055 0.000 2.368 640 Q HA 0.457 4.797 4.340 0.000 0.000 0.237 640 Q C -0.213 175.604 176.000 -0.306 0.000 0.987 640 Q CA -0.251 55.441 55.803 -0.186 0.000 0.896 640 Q CB 1.039 29.738 28.738 -0.065 0.000 1.241 640 Q HN 0.505 nan 8.270 nan 0.000 0.485 641 S N 0.515 115.798 115.700 -0.695 0.000 2.533 641 S HA 0.772 5.242 4.470 0.000 0.000 0.271 641 S C -1.376 172.672 174.600 -0.920 0.000 1.143 641 S CA -0.850 57.016 58.200 -0.557 0.000 0.891 641 S CB 0.847 63.905 63.200 -0.237 0.000 1.105 641 S HN 0.415 nan 8.310 nan 0.000 0.468 642 F N 1.418 121.402 119.950 0.057 0.000 2.626 642 F HA 0.647 5.174 4.527 0.000 0.000 0.311 642 F C -0.037 175.913 175.800 0.251 0.000 1.088 642 F CA -0.765 57.317 58.000 0.136 0.000 0.949 642 F CB 2.020 41.103 39.000 0.139 0.000 1.322 642 F HN 0.890 nan 8.300 nan 0.000 0.461 643 N N -0.218 118.706 118.700 0.373 0.000 2.229 643 N HA 0.289 5.029 4.740 0.000 0.000 0.298 643 N C -2.068 173.304 175.510 -0.231 0.000 1.114 643 N CA -0.632 52.449 53.050 0.051 0.000 0.776 643 N CB 2.570 41.066 38.487 0.016 0.000 1.501 643 N HN 0.651 nan 8.380 nan 0.000 0.474 644 D N 0.360 120.217 120.400 -0.905 0.000 2.389 644 D HA 0.006 4.646 4.640 0.000 0.000 0.247 644 D C 0.917 177.046 176.300 -0.286 0.000 1.128 644 D CA -0.194 53.352 54.000 -0.756 0.000 0.884 644 D CB 0.619 40.813 40.800 -1.010 0.000 1.194 644 D HN 0.512 nan 8.370 nan 0.000 0.441 645 Y N 3.553 123.736 120.300 -0.195 0.000 2.128 645 Y HA -0.174 4.376 4.550 0.000 0.000 0.284 645 Y C 1.697 177.498 175.900 -0.165 0.000 1.154 645 Y CA 1.430 59.446 58.100 -0.140 0.000 1.149 645 Y CB -0.193 38.212 38.460 -0.092 0.000 0.976 645 Y HN 0.529 nan 8.280 nan 0.000 0.505 646 L N 0.361 121.536 121.223 -0.079 0.000 2.046 646 L HA -0.102 4.238 4.340 0.000 0.000 0.208 646 L C 1.268 177.983 176.870 -0.258 0.000 1.077 646 L CA 1.856 56.610 54.840 -0.143 0.000 0.747 646 L CB -0.858 41.169 42.059 -0.053 0.000 0.896 646 L HN 0.222 nan 8.230 nan 0.000 0.432 647 S N -0.299 115.235 115.700 -0.277 0.000 3.436 647 S HA 0.013 4.483 4.470 0.000 0.000 0.393 647 S C -0.013 174.449 174.600 -0.229 0.000 0.914 647 S CA 0.473 58.492 58.200 -0.301 0.000 1.317 647 S CB -1.456 61.495 63.200 -0.414 0.000 0.920 647 S HN 0.949 nan 8.310 nan 0.000 0.564 648 A N 0.513 123.249 122.820 -0.140 0.000 2.608 648 A HA 0.844 5.164 4.320 0.000 0.000 0.292 648 A C -0.556 177.016 177.584 -0.021 0.000 1.066 648 A CA -0.056 51.930 52.037 -0.085 0.000 0.676 648 A CB 0.883 19.829 19.000 -0.091 0.000 1.277 648 A HN 1.546 nan 8.150 nan 0.000 0.413 649 A N 1.669 124.469 122.820 -0.034 0.000 2.260 649 A HA 0.618 4.938 4.320 0.000 0.000 0.308 649 A C -0.282 177.359 177.584 0.096 0.000 1.254 649 A CA -0.606 51.409 52.037 -0.037 0.000 0.874 649 A CB -0.053 18.754 19.000 -0.322 0.000 1.153 649 A HN 0.672 nan 8.150 nan 0.000 0.527 650 N N 3.542 122.349 118.700 0.177 0.000 2.426 650 N HA 0.489 5.229 4.740 0.000 0.000 0.275 650 N C -0.817 174.869 175.510 0.294 0.000 1.019 650 N CA -0.149 53.105 53.050 0.339 0.000 0.941 650 N CB 1.442 40.204 38.487 0.458 0.000 1.123 650 N HN 0.595 nan 8.380 nan 0.000 0.486 651 M N 2.328 122.149 119.600 0.370 0.000 2.530 651 M HA 0.513 4.993 4.480 0.000 0.000 0.307 651 M C -0.896 175.457 176.300 0.088 0.000 1.161 651 M CA -0.634 54.755 55.300 0.148 0.000 0.903 651 M CB 2.126 34.819 32.600 0.157 0.000 1.711 651 M HN 0.226 nan 8.290 nan 0.000 0.451 652 L N 2.799 123.868 121.223 -0.256 0.000 2.381 652 L HA 0.577 4.917 4.340 0.000 0.000 0.274 652 L C -1.671 174.946 176.870 -0.423 0.000 0.988 652 L CA -0.684 54.035 54.840 -0.201 0.000 0.824 652 L CB 1.577 43.517 42.059 -0.199 0.000 1.263 652 L HN 0.582 nan 8.230 nan 0.000 0.410 653 Y N 2.938 123.276 120.300 0.062 0.000 2.376 653 Y HA 0.471 5.021 4.550 0.000 0.000 0.340 653 Y C -2.261 173.645 175.900 0.011 0.000 0.965 653 Y CA -2.927 55.198 58.100 0.042 0.000 1.078 653 Y CB 1.470 39.962 38.460 0.053 0.000 1.193 653 Y HN 0.367 nan 8.280 nan 0.000 0.452 654 P HA 0.234 nan 4.420 nan 0.000 0.271 654 P C -0.529 176.809 177.300 0.063 0.000 1.216 654 P CA 0.111 63.252 63.100 0.069 0.000 0.776 654 P CB 1.104 32.829 31.700 0.042 0.000 0.881 655 I N 4.292 124.878 120.570 0.026 0.000 2.495 655 I HA 0.252 4.422 4.170 0.000 0.000 0.277 655 I C -2.242 173.872 176.117 -0.005 0.000 1.045 655 I CA -2.714 58.588 61.300 0.003 0.000 1.135 655 I CB 1.655 39.640 38.000 -0.026 0.000 1.241 655 I HN 0.077 nan 8.210 nan 0.000 0.469 656 P HA 0.013 nan 4.420 nan 0.000 0.267 656 P C 0.002 177.297 177.300 -0.008 0.000 1.200 656 P CA -0.193 62.905 63.100 -0.003 0.000 0.772 656 P CB 0.568 32.269 31.700 0.001 0.000 0.855 657 A N 2.880 125.695 122.820 -0.008 0.000 2.567 657 A HA -0.028 4.292 4.320 0.000 0.000 0.240 657 A C 0.934 178.515 177.584 -0.005 0.000 1.053 657 A CA 0.810 52.843 52.037 -0.007 0.000 0.755 657 A CB -1.490 17.508 19.000 -0.004 0.000 0.978 657 A HN 0.779 nan 8.150 nan 0.000 0.507 658 N N -0.890 117.807 118.700 -0.006 0.000 2.972 658 N HA -0.201 4.539 4.740 0.000 0.000 0.225 658 N C 0.347 175.853 175.510 -0.007 0.000 0.883 658 N CA 0.717 53.765 53.050 -0.003 0.000 1.010 658 N CB -1.666 36.823 38.487 0.004 0.000 1.052 658 N HN 1.263 nan 8.380 nan 0.000 0.598 659 A N -0.028 122.785 122.820 -0.011 0.000 2.466 659 A HA 0.440 4.760 4.320 0.000 0.000 0.238 659 A C 1.203 178.775 177.584 -0.020 0.000 1.074 659 A CA 1.237 53.267 52.037 -0.011 0.000 0.774 659 A CB 0.526 19.521 19.000 -0.008 0.000 1.015 659 A HN 0.231 nan 8.150 nan 0.000 0.498 660 T N 0.247 114.793 114.554 -0.014 0.000 2.993 660 T HA 0.159 4.509 4.350 0.000 0.000 0.260 660 T C 0.225 174.918 174.700 -0.011 0.000 0.939 660 T CA 0.057 62.145 62.100 -0.020 0.000 0.886 660 T CB -0.172 68.689 68.868 -0.013 0.000 1.209 660 T HN 0.644 nan 8.240 nan 0.000 0.518 661 N N 1.112 119.812 118.700 -0.000 0.000 2.372 661 N HA 0.530 5.270 4.740 0.000 0.000 0.291 661 N C -1.399 174.124 175.510 0.022 0.000 1.024 661 N CA -0.247 52.810 53.050 0.012 0.000 0.873 661 N CB 1.732 40.223 38.487 0.007 0.000 1.206 661 N HN -0.117 nan 8.380 nan 0.000 0.486 662 V N 4.644 124.589 119.914 0.051 0.000 2.385 662 V HA 0.479 4.599 4.120 0.000 0.000 0.277 662 V C -2.404 173.736 176.094 0.077 0.000 1.012 662 V CA -1.379 60.957 62.300 0.060 0.000 0.832 662 V CB 1.293 33.147 31.823 0.051 0.000 1.028 662 V HN 0.593 nan 8.190 nan 0.000 0.436 663 P HA 0.653 nan 4.420 nan 0.000 0.300 663 P C -0.794 176.485 177.300 -0.036 0.000 1.326 663 P CA -0.502 62.598 63.100 0.001 0.000 0.844 663 P CB 1.933 33.633 31.700 -0.001 0.000 0.992 664 I N -1.032 119.500 120.570 -0.064 0.000 2.608 664 I HA 0.740 4.910 4.170 0.000 0.000 0.295 664 I C -0.867 175.235 176.117 -0.025 0.000 1.049 664 I CA -0.673 60.547 61.300 -0.134 0.000 1.063 664 I CB 2.570 40.326 38.000 -0.408 0.000 1.248 664 I HN 0.043 nan 8.210 nan 0.000 0.424 665 S N 6.284 122.003 115.700 0.033 0.000 2.521 665 S HA 0.702 5.172 4.470 0.000 0.000 0.295 665 S C -0.666 174.011 174.600 0.129 0.000 1.098 665 S CA -0.674 57.570 58.200 0.073 0.000 0.999 665 S CB 1.372 64.609 63.200 0.061 0.000 1.034 665 S HN 0.508 nan 8.310 nan 0.000 0.483 666 I N 5.341 125.997 120.570 0.144 0.000 2.411 666 I HA 0.343 4.513 4.170 0.000 0.000 0.284 666 I C -2.387 173.809 176.117 0.132 0.000 1.012 666 I CA -2.491 58.905 61.300 0.160 0.000 1.119 666 I CB 1.485 39.631 38.000 0.244 0.000 1.261 666 I HN 0.356 nan 8.210 nan 0.000 0.448 667 P HA -0.028 nan 4.420 nan 0.000 0.266 667 P C 0.264 177.603 177.300 0.064 0.000 1.195 667 P CA 0.078 63.213 63.100 0.058 0.000 0.768 667 P CB 0.501 32.214 31.700 0.021 0.000 0.838 668 S N 3.233 118.990 115.700 0.094 0.000 2.810 668 S HA -0.021 4.449 4.470 0.000 0.000 0.329 668 S C 0.361 174.983 174.600 0.037 0.000 1.231 668 S CA 0.288 58.565 58.200 0.128 0.000 1.042 668 S CB -0.407 62.846 63.200 0.087 0.000 0.756 668 S HN 0.739 nan 8.310 nan 0.000 0.504 669 R N 3.208 123.739 120.500 0.053 0.000 2.829 669 R HA 0.433 4.773 4.340 0.000 0.000 0.267 669 R C -1.094 175.080 176.300 -0.210 0.000 1.051 669 R CA -1.118 54.859 56.100 -0.204 0.000 0.927 669 R CB 0.376 30.350 30.300 -0.544 0.000 1.292 669 R HN 0.579 nan 8.270 nan 0.000 0.445 670 N N -0.132 118.348 118.700 -0.366 0.000 2.499 670 N HA 0.111 4.851 4.740 0.000 0.000 0.281 670 N C -0.790 174.444 175.510 -0.460 0.000 1.098 670 N CA -0.233 52.690 53.050 -0.211 0.000 0.979 670 N CB 0.650 39.067 38.487 -0.117 0.000 1.121 670 N HN 0.595 nan 8.380 nan 0.000 0.466 671 W N 1.864 123.200 121.300 0.061 0.000 2.862 671 W HA 0.416 5.076 4.660 0.000 0.000 0.376 671 W C 0.738 177.329 176.519 0.121 0.000 1.028 671 W CA -0.391 56.964 57.345 0.017 0.000 1.757 671 W CB -0.028 29.396 29.460 -0.061 0.000 1.128 671 W HN 0.509 nan 8.180 nan 0.000 0.566 672 A N 1.077 124.067 122.820 0.284 0.000 2.546 672 A HA 0.391 4.711 4.320 0.000 0.000 0.243 672 A C 1.504 179.232 177.584 0.240 0.000 1.063 672 A CA 1.238 53.427 52.037 0.252 0.000 0.757 672 A CB -0.095 19.004 19.000 0.165 0.000 0.991 672 A HN 1.163 nan 8.150 nan 0.000 0.503 673 A N 1.544 124.518 122.820 0.257 0.000 3.384 673 A HA -0.182 4.138 4.320 0.000 0.000 0.260 673 A C 0.383 178.207 177.584 0.400 0.000 1.168 673 A CA 0.756 52.961 52.037 0.280 0.000 1.253 673 A CB -2.606 16.494 19.000 0.168 0.000 1.122 673 A HN 2.014 nan 8.150 nan 0.000 0.934 674 F N 1.896 121.962 119.950 0.194 0.000 2.623 674 F HA 0.326 4.853 4.527 0.000 0.000 0.383 674 F C 1.421 177.262 175.800 0.068 0.000 1.077 674 F CA 0.740 58.786 58.000 0.078 0.000 1.268 674 F CB 0.432 39.379 39.000 -0.089 0.000 1.053 674 F HN 0.281 nan 8.300 nan 0.000 0.571 675 R N 3.321 123.381 120.500 -0.734 0.000 2.175 675 R HA 0.416 4.756 4.340 0.000 0.000 0.202 675 R C 0.773 176.564 176.300 -0.847 0.000 1.018 675 R CA 0.389 56.131 56.100 -0.596 0.000 1.029 675 R CB 0.067 30.094 30.300 -0.456 0.000 0.959 675 R HN 0.869 nan 8.270 nan 0.000 0.480 676 G N -0.153 107.636 108.800 -1.686 0.000 2.362 676 G HA2 0.032 3.992 3.960 0.000 0.000 0.288 676 G HA3 0.032 3.992 3.960 0.000 0.000 0.288 676 G C -1.849 172.527 174.900 -0.873 0.000 1.305 676 G CA -0.957 43.423 45.100 -1.201 0.000 0.910 676 G HN 0.033 nan 8.290 nan 0.000 0.518 677 W N -0.106 121.098 121.300 -0.159 0.000 2.706 677 W HA 0.747 5.407 4.660 0.000 0.000 0.346 677 W C 0.125 176.596 176.519 -0.080 0.000 1.071 677 W CA -0.312 56.976 57.345 -0.095 0.000 1.206 677 W CB 2.446 31.893 29.460 -0.022 0.000 1.413 677 W HN 1.238 nan 8.180 nan 0.000 0.542 678 A N 2.933 125.832 122.820 0.131 0.000 2.455 678 A HA 0.919 5.239 4.320 0.000 0.000 0.300 678 A C -1.615 175.948 177.584 -0.036 0.000 1.040 678 A CA -0.535 51.472 52.037 -0.051 0.000 0.697 678 A CB 1.478 20.357 19.000 -0.202 0.000 1.265 678 A HN 0.645 nan 8.150 nan 0.000 0.407 679 F N -0.601 119.206 119.950 -0.238 0.000 2.693 679 F HA 0.889 5.416 4.527 0.000 0.000 0.309 679 F C -0.245 175.318 175.800 -0.396 0.000 1.129 679 F CA -0.388 57.406 58.000 -0.343 0.000 0.948 679 F CB 1.194 40.047 39.000 -0.244 0.000 1.315 679 F HN 0.679 nan 8.300 nan 0.000 0.447 680 T N -0.459 114.016 114.554 -0.131 0.000 2.618 680 T HA 0.634 4.984 4.350 0.000 0.000 0.293 680 T C -1.683 173.259 174.700 0.404 0.000 1.093 680 T CA -1.192 60.886 62.100 -0.037 0.000 1.061 680 T CB 1.991 70.605 68.868 -0.424 0.000 1.498 680 T HN 0.962 nan 8.240 nan 0.000 0.494 681 R N 0.251 120.940 120.500 0.315 0.000 2.533 681 R HA 0.680 5.020 4.340 0.000 0.000 0.288 681 R C -1.910 174.444 176.300 0.090 0.000 1.039 681 R CA -0.647 55.574 56.100 0.201 0.000 0.909 681 R CB 0.954 31.276 30.300 0.038 0.000 1.195 681 R HN 0.640 nan 8.270 nan 0.000 0.438 682 L N 2.251 123.533 121.223 0.098 0.000 2.301 682 L HA 0.612 4.952 4.340 0.000 0.000 0.264 682 L C -0.341 176.538 176.870 0.016 0.000 1.016 682 L CA -1.174 53.710 54.840 0.073 0.000 0.821 682 L CB 1.879 44.026 42.059 0.148 0.000 1.346 682 L HN 0.409 nan 8.230 nan 0.000 0.429 683 K N -0.130 120.279 120.400 0.016 0.000 2.201 683 K HA 0.280 4.600 4.320 0.000 0.000 0.278 683 K C 0.541 177.133 176.600 -0.014 0.000 1.027 683 K CA -0.371 55.917 56.287 0.002 0.000 0.909 683 K CB 1.580 34.093 32.500 0.023 0.000 1.062 683 K HN 0.586 nan 8.250 nan 0.000 0.465 684 T N 2.068 116.611 114.554 -0.020 0.000 2.759 684 T HA -0.226 4.124 4.350 0.000 0.000 0.269 684 T C 2.302 176.993 174.700 -0.016 0.000 1.042 684 T CA 2.107 64.194 62.100 -0.022 0.000 1.140 684 T CB -0.133 68.723 68.868 -0.020 0.000 0.864 684 T HN 0.752 nan 8.240 nan 0.000 0.455 685 K N 1.618 121.990 120.400 -0.047 0.000 2.147 685 K HA -0.102 4.218 4.320 0.000 0.000 0.205 685 K C 1.747 178.217 176.600 -0.216 0.000 1.049 685 K CA 1.566 57.799 56.287 -0.090 0.000 0.936 685 K CB -0.760 31.667 32.500 -0.121 0.000 0.722 685 K HN 0.670 nan 8.250 nan 0.000 0.446 686 E N 0.226 120.262 120.200 -0.272 0.000 2.437 686 E HA 0.064 4.414 4.350 0.000 0.000 0.189 686 E C -0.470 176.176 176.600 0.077 0.000 1.054 686 E CA 0.018 56.196 56.400 -0.370 0.000 0.874 686 E CB 0.582 30.093 29.700 -0.315 0.000 1.011 686 E HN 0.364 nan 8.360 nan 0.000 0.474 687 T N 3.459 118.063 114.554 0.083 0.000 2.977 687 T HA 0.227 4.577 4.350 0.000 0.000 0.346 687 T C -2.484 172.128 174.700 -0.146 0.000 1.140 687 T CA -1.691 60.398 62.100 -0.019 0.000 1.040 687 T CB 1.073 69.876 68.868 -0.109 0.000 1.046 687 T HN -0.038 nan 8.240 nan 0.000 0.494 688 P HA 0.110 nan 4.420 nan 0.000 0.268 688 P C -0.009 177.029 177.300 -0.438 0.000 1.208 688 P CA -0.254 62.303 63.100 -0.906 0.000 0.777 688 P CB 0.561 31.490 31.700 -1.285 0.000 0.875 689 S N 1.471 116.971 115.700 -0.333 0.000 2.499 689 S HA 0.215 4.685 4.470 0.000 0.000 0.275 689 S C 0.937 175.421 174.600 -0.195 0.000 1.257 689 S CA -0.640 57.432 58.200 -0.214 0.000 1.050 689 S CB -0.616 62.510 63.200 -0.125 0.000 0.937 689 S HN 0.344 nan 8.310 nan 0.000 0.490 690 L N 4.420 125.545 121.223 -0.163 0.000 2.640 690 L HA 0.296 4.636 4.340 0.000 0.000 0.230 690 L C 2.056 178.908 176.870 -0.030 0.000 1.123 690 L CA 0.077 54.869 54.840 -0.080 0.000 0.900 690 L CB -0.206 41.827 42.059 -0.043 0.000 1.146 690 L HN 0.849 nan 8.230 nan 0.000 0.484 691 G N 0.525 109.294 108.800 -0.051 0.000 3.340 691 G HA2 0.147 4.107 3.960 0.000 0.000 0.240 691 G HA3 0.147 4.107 3.960 0.000 0.000 0.240 691 G C 0.203 175.092 174.900 -0.018 0.000 1.327 691 G CA 0.625 45.709 45.100 -0.027 0.000 1.170 691 G HN 0.388 nan 8.290 nan 0.000 0.520 692 S N -3.552 112.144 115.700 -0.007 0.000 2.683 692 S HA 0.405 4.875 4.470 0.000 0.000 0.278 692 S C 0.865 175.490 174.600 0.042 0.000 1.059 692 S CA 0.106 58.305 58.200 -0.001 0.000 0.847 692 S CB 0.760 63.941 63.200 -0.031 0.000 1.078 692 S HN 0.509 nan 8.310 nan 0.000 0.456 693 G N -0.238 108.596 108.800 0.056 0.000 2.509 693 G HA2 0.181 4.141 3.960 0.000 0.000 0.218 693 G HA3 0.181 4.141 3.960 0.000 0.000 0.218 693 G C -0.042 174.847 174.900 -0.018 0.000 1.124 693 G CA 1.101 46.310 45.100 0.182 0.000 0.776 693 G HN 1.027 nan 8.290 nan 0.000 0.547 694 Y N -0.431 119.635 120.300 -0.389 0.000 2.442 694 Y HA 0.432 4.982 4.550 0.000 0.000 0.330 694 Y C -2.063 173.680 175.900 -0.262 0.000 1.100 694 Y CA -1.585 56.250 58.100 -0.442 0.000 1.034 694 Y CB 2.116 40.033 38.460 -0.904 0.000 1.285 694 Y HN -0.071 nan 8.280 nan 0.000 0.440 695 D N 8.019 127.987 120.400 -0.720 0.000 2.473 695 D HA 0.347 4.987 4.640 0.000 0.000 0.226 695 D C -1.951 173.979 176.300 -0.616 0.000 1.089 695 D CA -2.506 51.194 54.000 -0.500 0.000 0.883 695 D CB 1.788 42.399 40.800 -0.316 0.000 1.029 695 D HN 0.324 nan 8.370 nan 0.000 0.517 696 P HA -0.139 nan 4.420 nan 0.000 0.219 696 P C 0.496 177.591 177.300 -0.341 0.000 1.146 696 P CA 1.003 63.869 63.100 -0.390 0.000 0.808 696 P CB -0.015 31.365 31.700 -0.533 0.000 0.779 697 Y N -3.166 117.128 120.300 -0.010 0.000 2.470 697 Y HA 0.185 4.735 4.550 0.000 0.000 0.284 697 Y C 0.762 176.709 175.900 0.078 0.000 1.188 697 Y CA -0.982 57.133 58.100 0.025 0.000 1.269 697 Y CB -1.176 37.295 38.460 0.018 0.000 1.094 697 Y HN -0.102 nan 8.280 nan 0.000 0.518 698 Y N 2.446 122.735 120.300 -0.019 0.000 2.595 698 Y HA 0.282 4.832 4.550 0.000 0.000 0.347 698 Y C 0.623 176.540 175.900 0.028 0.000 1.025 698 Y CA -1.382 56.716 58.100 -0.004 0.000 1.295 698 Y CB 0.242 38.656 38.460 -0.077 0.000 1.147 698 Y HN 0.110 nan 8.280 nan 0.000 0.515 699 T N 3.127 117.595 114.554 -0.143 0.000 3.350 699 T HA 0.302 4.652 4.350 0.000 0.000 0.246 699 T C -1.080 173.531 174.700 -0.147 0.000 1.284 699 T CA -0.489 61.533 62.100 -0.130 0.000 1.329 699 T CB -0.781 68.073 68.868 -0.024 0.000 1.033 699 T HN 0.489 nan 8.240 nan 0.000 0.632 700 Y N 0.863 120.813 120.300 -0.582 0.000 2.519 700 Y HA 0.548 5.098 4.550 0.000 0.000 0.336 700 Y C -0.123 175.531 175.900 -0.410 0.000 1.089 700 Y CA -0.794 57.043 58.100 -0.439 0.000 1.025 700 Y CB 2.043 40.254 38.460 -0.416 0.000 1.318 700 Y HN 0.225 nan 8.280 nan 0.000 0.452 701 S N 1.874 117.043 115.700 -0.886 0.000 2.952 701 S HA 0.472 4.942 4.470 0.000 0.000 0.251 701 S C 0.396 174.604 174.600 -0.653 0.000 1.021 701 S CA -0.024 57.825 58.200 -0.586 0.000 1.067 701 S CB 0.085 63.118 63.200 -0.277 0.000 1.002 701 S HN 0.994 nan 8.310 nan 0.000 0.574 702 G N 2.053 110.022 108.800 -1.385 0.000 2.509 702 G HA2 0.481 4.441 3.960 0.000 0.000 0.269 702 G HA3 0.481 4.441 3.960 0.000 0.000 0.269 702 G C 0.073 174.965 174.900 -0.014 0.000 1.416 702 G CA -0.146 44.639 45.100 -0.525 0.000 1.052 702 G HN 0.697 nan 8.290 nan 0.000 0.542 703 S N -1.309 114.534 115.700 0.237 0.000 2.568 703 S HA 0.279 4.749 4.470 0.000 0.000 0.282 703 S C -0.023 174.800 174.600 0.371 0.000 1.338 703 S CA -0.274 58.074 58.200 0.247 0.000 1.045 703 S CB 0.378 63.704 63.200 0.210 0.000 0.873 703 S HN 0.372 nan 8.310 nan 0.000 0.516 704 I N 4.307 125.029 120.570 0.253 0.000 2.503 704 I HA 0.291 4.461 4.170 0.000 0.000 0.277 704 I C -1.842 174.362 176.117 0.145 0.000 1.078 704 I CA -2.355 59.108 61.300 0.272 0.000 1.184 704 I CB 1.494 39.659 38.000 0.275 0.000 1.353 704 I HN 0.471 nan 8.210 nan 0.000 0.490 705 P HA -0.283 nan 4.420 nan 0.000 0.218 705 P C 1.565 178.870 177.300 0.008 0.000 1.154 705 P CA 1.633 64.705 63.100 -0.047 0.000 0.872 705 P CB 0.024 31.838 31.700 0.189 0.000 0.790 706 Y N 0.009 120.382 120.300 0.123 0.000 2.256 706 Y HA -0.170 4.380 4.550 0.000 0.000 0.288 706 Y C 1.967 177.916 175.900 0.082 0.000 1.155 706 Y CA 1.556 59.726 58.100 0.117 0.000 1.203 706 Y CB -0.669 37.744 38.460 -0.080 0.000 0.980 706 Y HN -0.146 nan 8.280 nan 0.000 0.530 707 L N -0.822 120.433 121.223 0.055 0.000 2.388 707 L HA 0.067 4.407 4.340 0.000 0.000 0.209 707 L C 1.645 178.472 176.870 -0.072 0.000 1.061 707 L CA 0.846 55.678 54.840 -0.012 0.000 0.834 707 L CB -0.220 41.907 42.059 0.114 0.000 1.029 707 L HN 0.171 nan 8.230 nan 0.000 0.473 708 D N -0.884 119.447 120.400 -0.116 0.000 2.366 708 D HA 0.085 4.725 4.640 0.000 0.000 0.205 708 D C 1.471 177.561 176.300 -0.351 0.000 1.022 708 D CA 0.815 54.712 54.000 -0.172 0.000 0.868 708 D CB 0.332 41.066 40.800 -0.109 0.000 0.953 708 D HN 0.162 nan 8.370 nan 0.000 0.514 709 G N 0.230 108.646 108.800 -0.641 0.000 2.141 709 G HA2 -0.261 3.699 3.960 0.000 0.000 0.231 709 G HA3 -0.261 3.699 3.960 0.000 0.000 0.231 709 G C 0.671 175.059 174.900 -0.854 0.000 0.984 709 G CA 0.455 44.944 45.100 -1.019 0.000 0.660 709 G HN 0.680 nan 8.290 nan 0.000 0.525 710 T N -0.355 113.760 114.554 -0.732 0.000 3.624 710 T HA 0.542 4.892 4.350 0.000 0.000 0.231 710 T C 0.598 175.291 174.700 -0.012 0.000 0.865 710 T CA -0.538 61.164 62.100 -0.662 0.000 0.926 710 T CB -0.655 67.595 68.868 -1.031 0.000 1.189 710 T HN 0.284 nan 8.240 nan 0.000 0.640 711 F N 2.834 122.936 119.950 0.254 0.000 2.572 711 F HA 0.279 4.806 4.527 0.000 0.000 0.370 711 F C 1.015 177.102 175.800 0.479 0.000 1.103 711 F CA -1.065 57.105 58.000 0.283 0.000 1.286 711 F CB 0.015 39.087 39.000 0.120 0.000 1.105 711 F HN 0.513 nan 8.300 nan 0.000 0.583 712 Y N -0.490 120.093 120.300 0.472 0.000 2.890 712 Y HA 0.500 5.050 4.550 0.000 0.000 0.266 712 Y C -0.327 175.766 175.900 0.322 0.000 1.090 712 Y CA -0.419 57.913 58.100 0.387 0.000 1.258 712 Y CB -0.771 37.904 38.460 0.358 0.000 1.346 712 Y HN 0.383 nan 8.280 nan 0.000 0.578 713 L N 0.858 122.030 121.223 -0.084 0.000 3.066 713 L HA 0.334 4.674 4.340 0.000 0.000 0.265 713 L C 0.915 177.684 176.870 -0.168 0.000 1.232 713 L CA -0.099 54.594 54.840 -0.245 0.000 1.031 713 L CB 0.114 41.968 42.059 -0.342 0.000 1.379 713 L HN 0.173 nan 8.230 nan 0.000 0.563 714 N N 0.591 119.326 118.700 0.058 0.000 2.364 714 N HA -0.157 4.583 4.740 0.000 0.000 0.183 714 N C 1.661 177.539 175.510 0.613 0.000 1.022 714 N CA 1.043 54.246 53.050 0.255 0.000 0.883 714 N CB -0.098 38.193 38.487 -0.328 0.000 0.965 714 N HN 0.591 nan 8.380 nan 0.000 0.438 715 H N -0.692 118.588 119.070 0.349 0.000 2.556 715 H HA 0.105 4.661 4.556 0.000 0.000 0.268 715 H C 1.077 176.446 175.328 0.067 0.000 0.996 715 H CA 1.168 57.264 56.048 0.079 0.000 1.157 715 H CB -0.484 29.105 29.762 -0.288 0.000 1.355 715 H HN 0.130 nan 8.280 nan 0.000 0.597 716 T N -2.401 112.033 114.554 -0.198 0.000 3.107 716 T HA 0.114 4.464 4.350 0.000 0.000 0.249 716 T C 0.251 174.871 174.700 -0.133 0.000 1.096 716 T CA -0.520 61.465 62.100 -0.192 0.000 1.012 716 T CB -0.657 68.004 68.868 -0.346 0.000 0.977 716 T HN 0.023 nan 8.240 nan 0.000 0.527 717 F N 1.584 121.609 119.950 0.125 0.000 2.412 717 F HA 0.520 5.047 4.527 0.000 0.000 0.348 717 F C 1.500 177.305 175.800 0.008 0.000 1.102 717 F CA -0.720 57.352 58.000 0.120 0.000 1.196 717 F CB 1.506 40.654 39.000 0.247 0.000 1.144 717 F HN -0.122 nan 8.300 nan 0.000 0.541 718 K N 1.570 122.048 120.400 0.129 0.000 2.225 718 K HA 0.161 4.481 4.320 0.000 0.000 0.204 718 K C -0.387 176.191 176.600 -0.037 0.000 1.047 718 K CA 0.496 56.804 56.287 0.035 0.000 0.970 718 K CB 0.476 32.988 32.500 0.019 0.000 0.939 718 K HN 0.643 nan 8.250 nan 0.000 0.472 719 K N -1.098 119.288 120.400 -0.024 0.000 2.615 719 K HA 0.463 4.783 4.320 0.000 0.000 0.291 719 K C -1.494 175.017 176.600 -0.149 0.000 1.017 719 K CA -1.095 55.129 56.287 -0.105 0.000 0.882 719 K CB 2.151 34.607 32.500 -0.073 0.000 1.522 719 K HN -0.208 nan 8.250 nan 0.000 0.412 720 V N -0.211 119.577 119.914 -0.209 0.000 2.733 720 V HA 0.775 4.895 4.120 0.000 0.000 0.306 720 V C -1.147 174.819 176.094 -0.214 0.000 1.084 720 V CA -0.748 61.301 62.300 -0.418 0.000 0.905 720 V CB 1.535 32.975 31.823 -0.639 0.000 1.010 720 V HN 0.973 nan 8.190 nan 0.000 0.424 721 A N 5.613 128.247 122.820 -0.310 0.000 2.304 721 A HA 0.924 5.244 4.320 0.000 0.000 0.314 721 A C -0.848 176.599 177.584 -0.228 0.000 1.187 721 A CA -0.436 51.502 52.037 -0.166 0.000 0.810 721 A CB 0.695 19.617 19.000 -0.131 0.000 1.183 721 A HN 0.798 nan 8.150 nan 0.000 0.487 722 I N 2.292 122.801 120.570 -0.102 0.000 2.404 722 I HA 0.488 4.658 4.170 0.000 0.000 0.293 722 I C -0.365 175.729 176.117 -0.038 0.000 0.992 722 I CA -0.102 61.097 61.300 -0.169 0.000 1.149 722 I CB 2.379 40.256 38.000 -0.206 0.000 1.315 722 I HN 0.624 nan 8.210 nan 0.000 0.446 723 T N 4.806 119.272 114.554 -0.147 0.000 2.928 723 T HA 0.519 4.869 4.350 0.000 0.000 0.296 723 T C -0.671 173.947 174.700 -0.137 0.000 1.000 723 T CA -0.572 61.505 62.100 -0.038 0.000 0.989 723 T CB 1.048 69.912 68.868 -0.008 0.000 1.005 723 T HN 0.036 nan 8.240 nan 0.000 0.442 724 F N 2.000 122.004 119.950 0.089 0.000 2.399 724 F HA 0.354 4.881 4.527 0.000 0.000 0.334 724 F C 0.861 176.729 175.800 0.112 0.000 1.097 724 F CA -0.493 57.552 58.000 0.075 0.000 1.076 724 F CB 0.860 39.916 39.000 0.092 0.000 1.162 724 F HN 0.611 nan 8.300 nan 0.000 0.495 725 D N 2.515 123.112 120.400 0.328 0.000 2.701 725 D HA -0.289 4.351 4.640 0.000 0.000 0.235 725 D C 1.267 177.653 176.300 0.144 0.000 1.155 725 D CA 1.339 55.476 54.000 0.228 0.000 0.649 725 D CB -1.278 39.669 40.800 0.244 0.000 1.050 725 D HN 0.991 nan 8.370 nan 0.000 0.425 726 S N -2.287 113.478 115.700 0.108 0.000 3.017 726 S HA -0.376 4.094 4.470 0.000 0.000 0.283 726 S C 1.538 176.182 174.600 0.072 0.000 1.304 726 S CA 2.951 61.194 58.200 0.072 0.000 1.224 726 S CB -1.693 61.544 63.200 0.061 0.000 1.480 726 S HN 1.044 nan 8.310 nan 0.000 0.698 727 S N -2.396 113.364 115.700 0.099 0.000 2.918 727 S HA 0.495 4.965 4.470 0.000 0.000 0.264 727 S C 0.214 174.878 174.600 0.106 0.000 1.078 727 S CA 0.583 58.835 58.200 0.086 0.000 0.918 727 S CB 0.076 63.321 63.200 0.076 0.000 0.882 727 S HN 1.027 nan 8.310 nan 0.000 0.466 728 V N 3.285 123.294 119.914 0.157 0.000 2.455 728 V HA 0.505 4.625 4.120 0.000 0.000 0.273 728 V C 0.270 176.509 176.094 0.241 0.000 1.045 728 V CA -0.283 62.133 62.300 0.194 0.000 0.976 728 V CB 1.006 32.968 31.823 0.232 0.000 0.993 728 V HN 0.464 nan 8.190 nan 0.000 0.475 729 S N 5.141 120.953 115.700 0.187 0.000 2.465 729 S HA 0.386 4.856 4.470 0.000 0.000 0.279 729 S C -0.826 173.942 174.600 0.281 0.000 1.201 729 S CA -0.556 57.757 58.200 0.189 0.000 1.053 729 S CB 0.136 63.387 63.200 0.084 0.000 0.953 729 S HN 0.668 nan 8.310 nan 0.000 0.488 730 W N 7.480 128.909 121.300 0.215 0.000 2.478 730 W HA 0.491 5.151 4.660 0.000 0.000 0.318 730 W C -2.035 174.652 176.519 0.280 0.000 1.062 730 W CA -2.196 55.338 57.345 0.315 0.000 1.210 730 W CB 1.515 31.316 29.460 0.568 0.000 1.325 730 W HN 0.515 nan 8.180 nan 0.000 0.496 731 P HA 0.136 nan 4.420 nan 0.000 0.245 731 P C 0.973 178.021 177.300 -0.420 0.000 1.206 731 P CA 1.059 63.481 63.100 -1.130 0.000 0.781 731 P CB 0.313 31.279 31.700 -1.224 0.000 0.994 732 G N 1.651 110.328 108.800 -0.204 0.000 2.594 732 G HA2 -0.389 3.571 3.960 0.000 0.000 0.297 732 G HA3 -0.389 3.571 3.960 0.000 0.000 0.297 732 G C 0.484 175.298 174.900 -0.144 0.000 1.273 732 G CA 0.477 45.509 45.100 -0.113 0.000 0.974 732 G HN 0.283 nan 8.290 nan 0.000 0.552 733 N N -0.064 118.579 118.700 -0.094 0.000 2.732 733 N HA -0.199 4.541 4.740 0.000 0.000 0.250 733 N C 0.732 176.189 175.510 -0.088 0.000 1.097 733 N CA 2.478 55.473 53.050 -0.092 0.000 0.812 733 N CB -0.756 37.660 38.487 -0.117 0.000 1.148 733 N HN 1.357 nan 8.380 nan 0.000 0.572 734 D N -1.823 118.526 120.400 -0.085 0.000 2.945 734 D HA -0.205 4.435 4.640 0.000 0.000 0.225 734 D C 1.228 177.480 176.300 -0.080 0.000 1.158 734 D CA 1.156 55.113 54.000 -0.073 0.000 0.805 734 D CB -0.388 40.381 40.800 -0.051 0.000 1.098 734 D HN 0.444 nan 8.370 nan 0.000 0.426 735 R N -0.362 120.076 120.500 -0.104 0.000 2.062 735 R HA 0.014 4.354 4.340 0.000 0.000 0.231 735 R C 1.300 177.563 176.300 -0.062 0.000 1.136 735 R CA 0.747 56.799 56.100 -0.080 0.000 0.948 735 R CB -0.261 29.980 30.300 -0.098 0.000 0.845 735 R HN 0.307 nan 8.270 nan 0.000 0.430 736 L N 1.125 122.278 121.223 -0.117 0.000 2.421 736 L HA 0.146 4.486 4.340 0.000 0.000 0.263 736 L C 1.994 178.779 176.870 -0.142 0.000 1.122 736 L CA -0.443 54.312 54.840 -0.141 0.000 0.804 736 L CB 0.486 42.396 42.059 -0.249 0.000 1.150 736 L HN 0.009 nan 8.230 nan 0.000 0.457 737 L N 0.548 121.659 121.223 -0.187 0.000 2.127 737 L HA -0.137 4.203 4.340 0.000 0.000 0.211 737 L C 1.259 178.051 176.870 -0.130 0.000 1.089 737 L CA 1.534 56.220 54.840 -0.257 0.000 0.757 737 L CB -0.485 41.193 42.059 -0.636 0.000 0.899 737 L HN 0.844 nan 8.230 nan 0.000 0.434 738 T N -4.430 110.056 114.554 -0.114 0.000 3.466 738 T HA 0.281 4.631 4.350 0.000 0.000 0.297 738 T C -1.629 173.002 174.700 -0.114 0.000 1.640 738 T CA -1.770 60.300 62.100 -0.049 0.000 1.631 738 T CB 0.661 69.533 68.868 0.007 0.000 0.928 738 T HN -0.099 nan 8.240 nan 0.000 0.688 739 P HA -0.197 nan 4.420 nan 0.000 0.219 739 P C 1.080 178.290 177.300 -0.150 0.000 1.151 739 P CA 1.305 64.320 63.100 -0.142 0.000 0.850 739 P CB 0.065 31.711 31.700 -0.090 0.000 0.784 740 N N -0.022 118.616 118.700 -0.103 0.000 2.515 740 N HA -0.036 4.704 4.740 0.000 0.000 0.185 740 N C 0.597 176.049 175.510 -0.097 0.000 1.109 740 N CA 0.671 53.674 53.050 -0.080 0.000 0.903 740 N CB 0.127 38.589 38.487 -0.042 0.000 0.969 740 N HN 0.547 nan 8.380 nan 0.000 0.450 741 E N -1.603 118.501 120.200 -0.160 0.000 2.417 741 E HA 0.240 4.590 4.350 0.000 0.000 0.280 741 E C -1.523 174.933 176.600 -0.240 0.000 1.112 741 E CA -0.785 55.530 56.400 -0.142 0.000 0.863 741 E CB 0.249 29.906 29.700 -0.072 0.000 1.346 741 E HN -0.225 nan 8.360 nan 0.000 0.443 742 F N 1.208 121.112 119.950 -0.076 0.000 2.375 742 F HA 0.279 4.806 4.527 0.000 0.000 0.362 742 F C 0.241 175.949 175.800 -0.152 0.000 1.129 742 F CA -0.276 57.695 58.000 -0.049 0.000 1.154 742 F CB 1.178 40.195 39.000 0.029 0.000 1.205 742 F HN 0.280 nan 8.300 nan 0.000 0.513 743 E N 4.092 124.298 120.200 0.010 0.000 2.089 743 E HA 0.203 4.553 4.350 0.000 0.000 0.284 743 E C 0.749 177.249 176.600 -0.167 0.000 1.023 743 E CA -0.144 56.218 56.400 -0.062 0.000 0.819 743 E CB 1.053 30.752 29.700 -0.002 0.000 1.076 743 E HN 0.665 nan 8.360 nan 0.000 0.396 744 I N 3.544 123.866 120.570 -0.413 0.000 2.353 744 I HA -0.176 3.994 4.170 0.000 0.000 0.248 744 I C 0.608 176.588 176.117 -0.227 0.000 1.119 744 I CA 1.241 62.076 61.300 -0.774 0.000 1.417 744 I CB 0.040 37.387 38.000 -1.088 0.000 1.078 744 I HN 0.389 nan 8.210 nan 0.000 0.421 745 K N -0.179 120.204 120.400 -0.027 0.000 2.568 745 K HA 0.700 5.020 4.320 0.000 0.000 0.273 745 K C -0.970 175.694 176.600 0.106 0.000 0.951 745 K CA -0.927 55.441 56.287 0.135 0.000 0.854 745 K CB 1.775 34.455 32.500 0.300 0.000 1.424 745 K HN -0.204 nan 8.250 nan 0.000 0.427 746 R N 0.464 121.042 120.500 0.131 0.000 2.740 746 R HA 0.563 4.903 4.340 0.000 0.000 0.282 746 R C -0.842 175.517 176.300 0.099 0.000 0.969 746 R CA -0.591 55.571 56.100 0.102 0.000 0.918 746 R CB 2.123 32.487 30.300 0.106 0.000 1.175 746 R HN 0.896 nan 8.270 nan 0.000 0.464 747 S N 1.802 117.545 115.700 0.071 0.000 2.461 747 S HA 0.408 4.878 4.470 0.000 0.000 0.322 747 S C 1.164 175.791 174.600 0.046 0.000 1.063 747 S CA -0.593 57.645 58.200 0.063 0.000 1.120 747 S CB 0.361 63.592 63.200 0.052 0.000 0.968 747 S HN 0.547 nan 8.310 nan 0.000 0.467 748 V N 1.323 121.267 119.914 0.049 0.000 0.564 748 V HA -0.522 3.598 4.120 0.000 0.000 0.092 748 V C 2.369 178.473 176.094 0.015 0.000 1.994 748 V CA 3.186 65.505 62.300 0.032 0.000 3.465 748 V CB -2.146 29.691 31.823 0.023 0.000 0.759 748 V HN 0.915 nan 8.190 nan 0.000 0.788 749 D N 0.373 120.778 120.400 0.008 0.000 2.228 749 D HA 0.111 4.751 4.640 0.000 0.000 0.203 749 D C 1.784 178.068 176.300 -0.027 0.000 0.988 749 D CA 2.065 56.060 54.000 -0.009 0.000 0.864 749 D CB -0.577 40.218 40.800 -0.008 0.000 0.928 749 D HN 1.227 nan 8.370 nan 0.000 0.469 750 G N -1.205 107.589 108.800 -0.010 0.000 3.690 750 G HA2 0.263 4.223 3.960 0.000 0.000 0.283 750 G HA3 0.263 4.223 3.960 0.000 0.000 0.283 750 G C 1.038 175.940 174.900 0.002 0.000 1.057 750 G CA 0.477 45.558 45.100 -0.032 0.000 0.821 750 G HN 0.188 nan 8.290 nan 0.000 0.526 751 E N 1.656 121.865 120.200 0.015 0.000 2.132 751 E HA -0.227 4.123 4.350 0.000 0.000 0.218 751 E C 2.640 179.273 176.600 0.056 0.000 1.058 751 E CA 1.749 58.173 56.400 0.040 0.000 0.882 751 E CB -0.852 28.864 29.700 0.027 0.000 0.774 751 E HN 0.346 nan 8.360 nan 0.000 0.467 752 G N -0.436 108.372 108.800 0.013 0.000 2.550 752 G HA2 -0.277 3.683 3.960 0.000 0.000 0.222 752 G HA3 -0.277 3.683 3.960 0.000 0.000 0.222 752 G C 1.227 176.252 174.900 0.209 0.000 1.113 752 G CA 1.191 46.319 45.100 0.045 0.000 0.748 752 G HN 0.273 nan 8.290 nan 0.000 0.585 753 Y N 0.978 121.297 120.300 0.033 0.000 2.490 753 Y HA 0.227 4.777 4.550 0.000 0.000 0.281 753 Y C 1.038 176.965 175.900 0.045 0.000 1.174 753 Y CA -1.115 57.008 58.100 0.038 0.000 1.295 753 Y CB -0.416 38.064 38.460 0.034 0.000 1.062 753 Y HN 0.094 nan 8.280 nan 0.000 0.522 754 N N -0.536 118.281 118.700 0.194 0.000 2.434 754 N HA 0.386 5.126 4.740 0.000 0.000 0.266 754 N C -0.431 175.120 175.510 0.069 0.000 1.223 754 N CA -0.116 53.010 53.050 0.126 0.000 0.972 754 N CB 2.208 40.766 38.487 0.119 0.000 1.207 754 N HN -0.065 nan 8.380 nan 0.000 0.525 755 V N -1.082 118.839 119.914 0.013 0.000 3.181 755 V HA 0.560 4.680 4.120 0.000 0.000 0.307 755 V C -0.439 175.574 176.094 -0.135 0.000 1.310 755 V CA 0.026 62.272 62.300 -0.092 0.000 1.067 755 V CB 1.343 33.047 31.823 -0.199 0.000 1.081 755 V HN 0.843 nan 8.190 nan 0.000 0.453 756 A N 1.692 124.372 122.820 -0.233 0.000 2.799 756 A HA -0.265 4.055 4.320 0.000 0.000 0.274 756 A C 0.766 178.334 177.584 -0.025 0.000 1.393 756 A CA 2.040 53.972 52.037 -0.174 0.000 0.909 756 A CB -2.282 16.573 19.000 -0.242 0.000 1.012 756 A HN 1.698 nan 8.150 nan 0.000 0.653 757 Q N -4.396 115.402 119.800 -0.004 0.000 2.502 757 Q HA -0.260 4.080 4.340 0.000 0.000 0.273 757 Q C 0.310 176.349 176.000 0.065 0.000 1.127 757 Q CA 1.207 57.028 55.803 0.029 0.000 0.952 757 Q CB -2.745 26.003 28.738 0.018 0.000 1.333 757 Q HN 2.176 nan 8.270 nan 0.000 0.494 758 C N -2.374 116.986 119.300 0.100 0.000 3.311 758 C HA 0.598 5.058 4.460 0.000 0.000 0.366 758 C C 1.196 176.311 174.990 0.207 0.000 1.694 758 C CA -0.196 58.926 59.018 0.173 0.000 1.244 758 C CB 0.901 28.769 27.740 0.214 0.000 2.038 758 C HN 0.456 nan 8.230 nan 0.000 0.436 759 N N 0.677 119.562 118.700 0.309 0.000 2.370 759 N HA 0.073 4.813 4.740 0.000 0.000 0.198 759 N C 0.147 175.845 175.510 0.314 0.000 1.156 759 N CA -0.017 53.206 53.050 0.289 0.000 0.839 759 N CB -0.243 38.412 38.487 0.280 0.000 0.989 759 N HN 0.889 nan 8.380 nan 0.000 0.468 760 M N 1.654 121.419 119.600 0.275 0.000 2.242 760 M HA 0.097 4.577 4.480 0.000 0.000 0.344 760 M C 0.162 176.547 176.300 0.142 0.000 1.140 760 M CA -0.304 55.102 55.300 0.176 0.000 1.160 760 M CB 0.939 33.547 32.600 0.013 0.000 1.491 760 M HN 0.206 nan 8.290 nan 0.000 0.459 761 T N 1.100 115.745 114.554 0.151 0.000 2.899 761 T HA 0.312 4.662 4.350 0.000 0.000 0.284 761 T C 0.748 175.521 174.700 0.122 0.000 1.004 761 T CA -0.636 61.545 62.100 0.136 0.000 1.043 761 T CB 1.147 70.091 68.868 0.126 0.000 1.013 761 T HN 0.811 nan 8.240 nan 0.000 0.518 762 K N 0.554 121.000 120.400 0.077 0.000 2.057 762 K HA -0.128 4.192 4.320 0.000 0.000 0.207 762 K C 1.855 178.510 176.600 0.093 0.000 1.049 762 K CA 1.660 57.991 56.287 0.074 0.000 0.931 762 K CB -0.205 32.318 32.500 0.038 0.000 0.714 762 K HN 0.611 nan 8.250 nan 0.000 0.440 763 D N 0.176 120.596 120.400 0.033 0.000 2.106 763 D HA -0.233 4.407 4.640 0.000 0.000 0.191 763 D C 1.488 177.816 176.300 0.048 0.000 0.997 763 D CA 0.923 54.931 54.000 0.013 0.000 0.834 763 D CB -0.281 40.507 40.800 -0.021 0.000 0.956 763 D HN 0.365 nan 8.370 nan 0.000 0.448 764 W N 0.379 121.617 121.300 -0.103 0.000 2.358 764 W HA -0.236 4.424 4.660 0.000 0.000 0.303 764 W C 2.129 178.502 176.519 -0.243 0.000 1.208 764 W CA 0.512 57.746 57.345 -0.184 0.000 1.274 764 W CB -0.546 28.789 29.460 -0.208 0.000 1.138 764 W HN -0.072 nan 8.180 nan 0.000 0.515 765 F N 1.267 121.076 119.950 -0.236 0.000 2.161 765 F HA -0.256 4.271 4.527 0.000 0.000 0.300 765 F C 2.273 177.867 175.800 -0.345 0.000 1.089 765 F CA 1.893 59.669 58.000 -0.373 0.000 1.282 765 F CB -0.943 37.861 39.000 -0.328 0.000 1.010 765 F HN -0.136 nan 8.300 nan 0.000 0.485 766 L N -0.280 120.856 121.223 -0.144 0.000 2.027 766 L HA -0.124 4.216 4.340 0.000 0.000 0.206 766 L C 2.168 178.809 176.870 -0.382 0.000 1.074 766 L CA 1.705 56.490 54.840 -0.091 0.000 0.745 766 L CB -0.997 41.083 42.059 0.035 0.000 0.898 766 L HN 0.023 nan 8.230 nan 0.000 0.433 767 V N -0.280 119.308 119.914 -0.544 0.000 2.358 767 V HA -0.248 3.872 4.120 0.000 0.000 0.246 767 V C 2.691 178.292 176.094 -0.822 0.000 1.047 767 V CA 1.633 63.475 62.300 -0.763 0.000 1.035 767 V CB -0.796 30.478 31.823 -0.915 0.000 0.658 767 V HN 0.505 nan 8.190 nan 0.000 0.452 768 Q N -0.906 118.242 119.800 -1.088 0.000 2.084 768 Q HA -0.103 4.237 4.340 0.000 0.000 0.202 768 Q C 2.244 177.755 176.000 -0.815 0.000 0.978 768 Q CA 1.331 56.429 55.803 -1.175 0.000 0.844 768 Q CB -0.449 27.175 28.738 -1.858 0.000 0.898 768 Q HN 0.470 nan 8.270 nan 0.000 0.426 769 M N -0.023 119.165 119.600 -0.686 0.000 2.132 769 M HA -0.080 4.400 4.480 0.000 0.000 0.263 769 M C 2.296 178.468 176.300 -0.213 0.000 1.065 769 M CA 1.134 56.245 55.300 -0.316 0.000 1.122 769 M CB -0.889 31.506 32.600 -0.341 0.000 1.365 769 M HN 0.155 nan 8.290 nan 0.000 0.411 770 L N -0.326 120.717 121.223 -0.299 0.000 2.044 770 L HA -0.104 4.236 4.340 0.000 0.000 0.205 770 L C 2.778 179.534 176.870 -0.191 0.000 1.075 770 L CA 1.147 55.857 54.840 -0.216 0.000 0.747 770 L CB -0.988 40.953 42.059 -0.197 0.000 0.903 770 L HN 0.239 nan 8.230 nan 0.000 0.435 771 A N 0.063 122.725 122.820 -0.265 0.000 1.940 771 A HA -0.223 4.097 4.320 0.000 0.000 0.219 771 A C 2.104 179.502 177.584 -0.311 0.000 1.176 771 A CA 2.071 53.960 52.037 -0.246 0.000 0.631 771 A CB -0.598 18.216 19.000 -0.310 0.000 0.814 771 A HN 0.507 nan 8.150 nan 0.000 0.446 772 N N -2.114 116.297 118.700 -0.481 0.000 2.305 772 N HA -0.016 4.724 4.740 0.000 0.000 0.179 772 N C 0.469 175.472 175.510 -0.846 0.000 1.019 772 N CA 1.491 54.075 53.050 -0.777 0.000 0.869 772 N CB 0.051 37.801 38.487 -1.228 0.000 1.000 772 N HN 0.675 nan 8.380 nan 0.000 0.431 773 Y N -0.795 119.432 120.300 -0.123 0.000 2.672 773 Y HA 0.349 4.899 4.550 0.000 0.000 0.252 773 Y C 0.062 175.892 175.900 -0.117 0.000 1.132 773 Y CA -0.640 57.388 58.100 -0.121 0.000 1.228 773 Y CB 0.107 38.470 38.460 -0.162 0.000 1.310 773 Y HN -0.189 nan 8.280 nan 0.000 0.549 774 N N 0.656 119.348 118.700 -0.014 0.000 2.800 774 N HA -0.193 4.547 4.740 0.000 0.000 0.250 774 N C -0.725 174.753 175.510 -0.055 0.000 1.078 774 N CA 0.821 53.860 53.050 -0.017 0.000 0.804 774 N CB -1.420 37.084 38.487 0.028 0.000 1.135 774 N HN 0.442 nan 8.380 nan 0.000 0.565 775 I N -0.624 119.882 120.570 -0.107 0.000 2.331 775 I HA 0.501 4.671 4.170 0.000 0.000 0.292 775 I C 1.464 177.388 176.117 -0.322 0.000 0.998 775 I CA 0.524 61.682 61.300 -0.236 0.000 1.267 775 I CB 1.500 39.259 38.000 -0.401 0.000 1.386 775 I HN 0.235 nan 8.210 nan 0.000 0.476 776 G N 3.976 112.508 108.800 -0.448 0.000 3.859 776 G HA2 -0.175 3.785 3.960 0.000 0.000 0.198 776 G HA3 -0.175 3.785 3.960 0.000 0.000 0.198 776 G C 0.422 174.917 174.900 -0.675 0.000 0.972 776 G CA -0.212 44.453 45.100 -0.726 0.000 0.882 776 G HN 0.458 nan 8.290 nan 0.000 0.364 777 Y N 1.414 121.591 120.300 -0.205 0.000 2.519 777 Y HA 0.339 4.889 4.550 0.000 0.000 0.287 777 Y C 2.177 178.003 175.900 -0.122 0.000 1.128 777 Y CA 1.120 59.134 58.100 -0.143 0.000 1.282 777 Y CB 0.438 38.851 38.460 -0.077 0.000 1.027 777 Y HN 0.244 nan 8.280 nan 0.000 0.551 778 Q N 0.068 119.873 119.800 0.008 0.000 2.233 778 Q HA 0.432 4.772 4.340 0.000 0.000 0.340 778 Q C 0.080 176.096 176.000 0.028 0.000 0.899 778 Q CA -0.040 55.782 55.803 0.031 0.000 1.139 778 Q CB 0.950 29.731 28.738 0.072 0.000 1.273 778 Q HN 0.374 nan 8.270 nan 0.000 0.431 779 G N 0.596 109.333 108.800 -0.106 0.000 2.690 779 G HA2 -0.195 3.765 3.960 0.000 0.000 0.686 779 G HA3 -0.195 3.765 3.960 0.000 0.000 0.686 779 G C -1.119 173.694 174.900 -0.145 0.000 1.277 779 G CA -1.039 44.017 45.100 -0.074 0.000 0.799 779 G HN 0.155 nan 8.290 nan 0.000 0.613 780 F N 1.232 121.246 119.950 0.107 0.000 2.421 780 F HA 0.827 5.354 4.527 0.000 0.000 0.337 780 F C 0.707 176.555 175.800 0.080 0.000 1.105 780 F CA -0.239 57.758 58.000 -0.005 0.000 1.049 780 F CB 1.629 40.713 39.000 0.140 0.000 1.139 780 F HN 0.748 nan 8.300 nan 0.000 0.479 781 Y N -0.201 120.180 120.300 0.134 0.000 2.689 781 Y HA 0.623 5.173 4.550 0.000 0.000 0.333 781 Y C -1.124 174.638 175.900 -0.230 0.000 1.208 781 Y CA -2.127 55.962 58.100 -0.018 0.000 1.055 781 Y CB 0.453 38.889 38.460 -0.040 0.000 1.304 781 Y HN 0.345 nan 8.280 nan 0.000 0.455 782 I N 4.310 124.808 120.570 -0.120 0.000 2.598 782 I HA 0.171 4.341 4.170 0.000 0.000 0.284 782 I C -2.021 173.854 176.117 -0.404 0.000 1.140 782 I CA -1.475 59.515 61.300 -0.517 0.000 1.420 782 I CB 0.350 38.168 38.000 -0.304 0.000 1.387 782 I HN 0.393 nan 8.210 nan 0.000 0.553 783 P HA 0.128 nan 4.420 nan 0.000 0.269 783 P C -0.220 176.854 177.300 -0.376 0.000 1.215 783 P CA -0.207 62.511 63.100 -0.636 0.000 0.780 783 P CB 0.308 31.253 31.700 -1.257 0.000 0.898 784 E N 0.970 120.992 120.200 -0.297 0.000 2.415 784 E HA 0.093 4.443 4.350 0.000 0.000 0.263 784 E C 1.338 177.737 176.600 -0.334 0.000 0.995 784 E CA 0.230 56.466 56.400 -0.273 0.000 0.915 784 E CB -0.719 28.781 29.700 -0.333 0.000 0.951 784 E HN 0.438 nan 8.360 nan 0.000 0.449 785 S N 1.015 116.633 115.700 -0.138 0.000 2.389 785 S HA -0.318 4.152 4.470 0.000 0.000 0.231 785 S C 1.953 176.532 174.600 -0.035 0.000 1.052 785 S CA 2.092 60.261 58.200 -0.051 0.000 1.053 785 S CB -0.961 62.255 63.200 0.028 0.000 0.886 785 S HN 0.989 nan 8.310 nan 0.000 0.456 786 Y N 1.794 122.109 120.300 0.024 0.000 2.497 786 Y HA 0.185 4.735 4.550 0.000 0.000 0.292 786 Y C 1.638 177.577 175.900 0.065 0.000 1.137 786 Y CA 0.522 58.642 58.100 0.034 0.000 1.285 786 Y CB -0.534 37.941 38.460 0.024 0.000 0.991 786 Y HN 0.127 nan 8.280 nan 0.000 0.556 787 K N -0.314 119.823 120.400 -0.440 0.000 2.352 787 K HA 0.015 4.335 4.320 0.000 0.000 0.194 787 K C -0.212 176.464 176.600 0.126 0.000 1.038 787 K CA 0.588 56.789 56.287 -0.143 0.000 1.023 787 K CB 0.242 32.626 32.500 -0.193 0.000 0.840 787 K HN 0.111 nan 8.250 nan 0.000 0.519 788 D N 2.304 122.739 120.400 0.059 0.000 2.518 788 D HA 0.056 4.696 4.640 0.000 0.000 0.230 788 D C -0.139 176.233 176.300 0.120 0.000 1.138 788 D CA -0.309 53.796 54.000 0.175 0.000 0.964 788 D CB 0.318 41.143 40.800 0.043 0.000 1.011 788 D HN -0.006 nan 8.370 nan 0.000 0.517 789 R N 1.933 122.509 120.500 0.127 0.000 2.519 789 R HA 0.273 4.613 4.340 0.000 0.000 0.244 789 R C 1.554 177.863 176.300 0.015 0.000 1.241 789 R CA -0.781 55.358 56.100 0.065 0.000 1.120 789 R CB -0.112 30.229 30.300 0.069 0.000 1.333 789 R HN 0.289 nan 8.270 nan 0.000 0.587 790 M N 0.126 119.668 119.600 -0.098 0.000 2.082 790 M HA -0.183 4.297 4.480 0.000 0.000 0.258 790 M C 0.616 176.737 176.300 -0.298 0.000 1.069 790 M CA 2.041 57.166 55.300 -0.291 0.000 1.102 790 M CB -0.033 32.235 32.600 -0.554 0.000 1.336 790 M HN 0.445 nan 8.290 nan 0.000 0.404 791 Y N -0.236 120.095 120.300 0.051 0.000 2.532 791 Y HA 0.299 4.849 4.550 0.000 0.000 0.283 791 Y C 0.832 176.782 175.900 0.083 0.000 1.181 791 Y CA -0.511 57.631 58.100 0.070 0.000 1.256 791 Y CB -0.393 38.105 38.460 0.063 0.000 1.112 791 Y HN 0.025 nan 8.280 nan 0.000 0.521 792 S N 0.049 115.863 115.700 0.190 0.000 2.645 792 S HA 0.080 4.550 4.470 0.000 0.000 0.266 792 S C 0.948 175.694 174.600 0.244 0.000 1.258 792 S CA -0.678 57.643 58.200 0.202 0.000 0.990 792 S CB 0.589 63.937 63.200 0.247 0.000 0.967 792 S HN 0.390 nan 8.310 nan 0.000 0.556 793 F N 1.553 121.582 119.950 0.131 0.000 2.022 793 F HA -0.054 4.473 4.527 0.000 0.000 0.293 793 F C 1.847 177.813 175.800 0.277 0.000 1.142 793 F CA 1.419 59.511 58.000 0.153 0.000 1.177 793 F CB -0.813 38.218 39.000 0.052 0.000 0.982 793 F HN 0.666 nan 8.300 nan 0.000 0.473 794 F N 1.555 121.396 119.950 -0.181 0.000 2.043 794 F HA -0.271 4.256 4.527 0.000 0.000 0.297 794 F C 2.840 178.575 175.800 -0.109 0.000 1.121 794 F CA 2.565 60.395 58.000 -0.284 0.000 1.199 794 F CB -0.719 38.222 39.000 -0.099 0.000 0.968 794 F HN 0.060 nan 8.300 nan 0.000 0.478 795 R N 0.503 121.066 120.500 0.105 0.000 2.170 795 R HA -0.192 4.148 4.340 0.000 0.000 0.242 795 R C 1.341 177.595 176.300 -0.077 0.000 1.145 795 R CA 2.092 58.203 56.100 0.019 0.000 0.984 795 R CB -0.495 29.856 30.300 0.086 0.000 0.869 795 R HN 0.349 nan 8.270 nan 0.000 0.455 796 N N -0.659 118.005 118.700 -0.060 0.000 2.236 796 N HA -0.041 4.699 4.740 0.000 0.000 0.196 796 N C -0.724 174.783 175.510 -0.005 0.000 1.114 796 N CA -0.016 53.030 53.050 -0.007 0.000 0.859 796 N CB 0.298 38.837 38.487 0.086 0.000 0.982 796 N HN 0.085 nan 8.380 nan 0.000 0.493 797 F N 3.133 122.871 119.950 -0.355 0.000 2.472 797 F HA 0.178 4.705 4.527 0.000 0.000 0.364 797 F C -0.140 175.523 175.800 -0.229 0.000 1.090 797 F CA -0.187 57.611 58.000 -0.336 0.000 1.188 797 F CB 0.546 39.129 39.000 -0.696 0.000 1.105 797 F HN -0.176 nan 8.300 nan 0.000 0.536 798 Q N 8.620 128.102 119.800 -0.529 0.000 2.490 798 Q HA 0.308 4.648 4.340 0.000 0.000 0.255 798 Q C -2.701 173.010 176.000 -0.481 0.000 0.997 798 Q CA -1.984 53.534 55.803 -0.474 0.000 0.709 798 Q CB 1.620 30.237 28.738 -0.202 0.000 1.255 798 Q HN 0.413 nan 8.270 nan 0.000 0.486 799 P HA 0.365 nan 4.420 nan 0.000 0.285 799 P C -0.525 176.702 177.300 -0.121 0.000 1.259 799 P CA -0.234 62.672 63.100 -0.324 0.000 0.794 799 P CB 1.006 32.513 31.700 -0.322 0.000 0.940 800 M N 1.120 120.718 119.600 -0.003 0.000 2.619 800 M HA 0.531 5.011 4.480 0.000 0.000 0.297 800 M C -0.309 176.174 176.300 0.305 0.000 1.229 800 M CA -0.312 55.047 55.300 0.097 0.000 0.860 800 M CB 2.602 35.178 32.600 -0.041 0.000 1.741 800 M HN 0.155 nan 8.290 nan 0.000 0.462 801 S N 0.382 116.323 115.700 0.402 0.000 2.556 801 S HA 0.874 5.344 4.470 0.000 0.000 0.271 801 S C -1.501 173.182 174.600 0.137 0.000 1.135 801 S CA -0.936 57.451 58.200 0.313 0.000 0.858 801 S CB 2.586 65.868 63.200 0.137 0.000 1.114 801 S HN 0.781 nan 8.310 nan 0.000 0.468 802 R N 0.764 121.147 120.500 -0.195 0.000 2.728 802 R HA 0.665 5.005 4.340 0.000 0.000 0.274 802 R C -2.230 173.856 176.300 -0.357 0.000 1.032 802 R CA -0.940 54.920 56.100 -0.400 0.000 0.866 802 R CB 0.685 30.429 30.300 -0.927 0.000 1.263 802 R HN 0.417 nan 8.270 nan 0.000 0.475 803 Q N 0.373 119.999 119.800 -0.290 0.000 2.377 803 Q HA 0.682 5.022 4.340 0.000 0.000 0.271 803 Q C -1.124 174.742 176.000 -0.224 0.000 1.077 803 Q CA -0.752 54.921 55.803 -0.217 0.000 0.820 803 Q CB 2.941 31.592 28.738 -0.145 0.000 1.347 803 Q HN 0.600 nan 8.270 nan 0.000 0.444 804 V N -1.744 118.058 119.914 -0.187 0.000 3.078 804 V HA 0.735 4.855 4.120 0.000 0.000 0.311 804 V C -0.268 175.741 176.094 -0.142 0.000 1.138 804 V CA -1.373 60.836 62.300 -0.152 0.000 1.007 804 V CB 1.393 33.131 31.823 -0.142 0.000 1.045 804 V HN 0.587 nan 8.190 nan 0.000 0.432 805 V N 0.054 119.891 119.914 -0.129 0.000 2.694 805 V HA 0.192 4.312 4.120 0.000 0.000 0.306 805 V C 0.392 176.360 176.094 -0.209 0.000 1.054 805 V CA 0.294 62.471 62.300 -0.206 0.000 1.161 805 V CB 0.209 31.898 31.823 -0.224 0.000 0.916 805 V HN 1.045 nan 8.190 nan 0.000 0.490 806 D N 3.745 124.022 120.400 -0.205 0.000 2.393 806 D HA 0.068 4.708 4.640 0.000 0.000 0.232 806 D C 1.112 177.260 176.300 -0.254 0.000 1.192 806 D CA -0.350 53.541 54.000 -0.181 0.000 0.882 806 D CB 0.991 41.724 40.800 -0.111 0.000 1.038 806 D HN 0.782 nan 8.370 nan 0.000 0.499 807 D N 1.593 121.732 120.400 -0.435 0.000 2.265 807 D HA -0.201 4.439 4.640 0.000 0.000 0.208 807 D C 1.342 177.442 176.300 -0.333 0.000 0.977 807 D CA 0.959 54.501 54.000 -0.764 0.000 0.871 807 D CB -0.311 39.953 40.800 -0.893 0.000 0.925 807 D HN 0.456 nan 8.370 nan 0.000 0.485 808 T N -4.215 110.234 114.554 -0.177 0.000 3.069 808 T HA 0.356 4.706 4.350 0.000 0.000 0.252 808 T C 1.541 176.215 174.700 -0.044 0.000 1.053 808 T CA 0.746 62.797 62.100 -0.082 0.000 0.964 808 T CB 0.308 69.139 68.868 -0.061 0.000 1.005 808 T HN 0.323 nan 8.240 nan 0.000 0.532 809 K N 0.051 120.430 120.400 -0.035 0.000 2.502 809 K HA 0.333 4.653 4.320 0.000 0.000 0.211 809 K C 0.229 176.860 176.600 0.052 0.000 1.259 809 K CA -0.235 56.052 56.287 -0.001 0.000 0.983 809 K CB -0.310 32.185 32.500 -0.008 0.000 1.054 809 K HN 0.499 nan 8.250 nan 0.000 0.572 810 Y N 3.257 123.503 120.300 -0.090 0.000 2.585 810 Y HA 0.369 4.919 4.550 0.000 0.000 0.354 810 Y C 1.682 177.574 175.900 -0.014 0.000 1.024 810 Y CA -0.201 57.854 58.100 -0.075 0.000 1.321 810 Y CB 0.354 38.729 38.460 -0.141 0.000 1.151 810 Y HN 0.332 nan 8.280 nan 0.000 0.525 811 K N 2.990 123.223 120.400 -0.279 0.000 2.077 811 K HA -0.227 4.093 4.320 0.000 0.000 0.213 811 K C 1.062 177.429 176.600 -0.389 0.000 1.051 811 K CA 2.527 58.647 56.287 -0.278 0.000 0.929 811 K CB -0.730 31.654 32.500 -0.194 0.000 0.715 811 K HN 0.805 nan 8.250 nan 0.000 0.451 812 D N -1.565 118.341 120.400 -0.822 0.000 2.319 812 D HA 0.057 4.697 4.640 0.000 0.000 0.230 812 D C 0.099 176.206 176.300 -0.322 0.000 1.094 812 D CA -0.389 53.279 54.000 -0.553 0.000 0.856 812 D CB -0.623 39.920 40.800 -0.428 0.000 0.915 812 D HN 0.555 nan 8.370 nan 0.000 0.517 813 Y N 2.350 122.425 120.300 -0.376 0.000 2.904 813 Y HA -0.077 4.473 4.550 0.000 0.000 0.336 813 Y C 0.073 176.051 175.900 0.129 0.000 1.263 813 Y CA 0.564 58.684 58.100 0.034 0.000 1.547 813 Y CB 0.368 38.866 38.460 0.063 0.000 1.272 813 Y HN -0.170 nan 8.280 nan 0.000 0.596 814 Q N 5.426 124.845 119.800 -0.634 0.000 2.274 814 Q HA 0.133 4.473 4.340 0.000 0.000 0.268 814 Q C -1.390 174.196 176.000 -0.689 0.000 1.015 814 Q CA -0.734 54.773 55.803 -0.493 0.000 0.775 814 Q CB 1.893 30.577 28.738 -0.089 0.000 1.256 814 Q HN 0.809 nan 8.270 nan 0.000 0.442 815 Q N 2.264 121.751 119.800 -0.523 0.000 2.452 815 Q HA 0.344 4.684 4.340 0.000 0.000 0.230 815 Q C -1.020 174.968 176.000 -0.020 0.000 1.180 815 Q CA -0.058 55.650 55.803 -0.158 0.000 0.914 815 Q CB 0.256 29.046 28.738 0.087 0.000 1.408 815 Q HN 0.308 nan 8.270 nan 0.000 0.520 816 V N 3.531 123.450 119.914 0.009 0.000 2.370 816 V HA 0.631 4.751 4.120 0.000 0.000 0.283 816 V C 0.799 176.879 176.094 -0.024 0.000 1.023 816 V CA -0.534 61.771 62.300 0.009 0.000 0.857 816 V CB 1.285 33.092 31.823 -0.026 0.000 0.985 816 V HN 0.789 nan 8.190 nan 0.000 0.443 817 G N 2.592 111.388 108.800 -0.007 0.000 2.535 817 G HA2 0.481 4.441 3.960 0.000 0.000 0.303 817 G HA3 0.481 4.441 3.960 0.000 0.000 0.303 817 G C 0.863 175.670 174.900 -0.155 0.000 1.237 817 G CA -0.540 44.523 45.100 -0.062 0.000 0.986 817 G HN 0.736 nan 8.290 nan 0.000 0.494 818 I N -0.674 119.802 120.570 -0.158 0.000 2.194 818 I HA -0.201 3.970 4.170 0.000 0.000 0.246 818 I C 2.516 178.534 176.117 -0.165 0.000 1.093 818 I CA 1.167 62.365 61.300 -0.170 0.000 1.355 818 I CB -0.806 37.122 38.000 -0.120 0.000 1.046 818 I HN 0.336 nan 8.210 nan 0.000 0.413 819 L N -0.129 120.950 121.223 -0.241 0.000 2.197 819 L HA -0.250 4.090 4.340 0.000 0.000 0.215 819 L C 1.749 178.356 176.870 -0.439 0.000 1.095 819 L CA 1.832 56.450 54.840 -0.369 0.000 0.764 819 L CB -0.795 40.929 42.059 -0.558 0.000 0.897 819 L HN 0.494 nan 8.230 nan 0.000 0.436 820 H N -2.761 116.333 119.070 0.039 0.000 2.923 820 H HA 0.219 4.775 4.556 0.000 0.000 0.268 820 H C 0.028 175.350 175.328 -0.011 0.000 1.148 820 H CA -0.420 55.652 56.048 0.041 0.000 1.146 820 H CB 0.477 30.246 29.762 0.011 0.000 1.607 820 H HN 0.300 nan 8.280 nan 0.000 0.566 821 Q N 2.144 121.933 119.800 -0.019 0.000 2.261 821 Q HA 0.174 4.514 4.340 0.000 0.000 0.252 821 Q C -0.352 175.661 176.000 0.020 0.000 0.915 821 Q CA -0.537 55.173 55.803 -0.155 0.000 0.915 821 Q CB 1.080 29.534 28.738 -0.473 0.000 1.204 821 Q HN 0.513 nan 8.270 nan 0.000 0.421 822 H N 0.973 120.074 119.070 0.052 0.000 2.744 822 H HA 0.528 5.084 4.556 0.000 0.000 0.339 822 H C -1.436 173.953 175.328 0.101 0.000 1.004 822 H CA -0.902 55.201 56.048 0.091 0.000 1.257 822 H CB 1.310 31.117 29.762 0.076 0.000 1.552 822 H HN 0.489 nan 8.280 nan 0.000 0.522 823 N N 3.554 122.402 118.700 0.247 0.000 2.616 823 N HA 0.096 4.836 4.740 0.000 0.000 0.281 823 N C -0.564 175.125 175.510 0.297 0.000 1.145 823 N CA -0.244 52.923 53.050 0.195 0.000 0.919 823 N CB 0.874 39.348 38.487 -0.021 0.000 1.509 823 N HN 0.862 nan 8.380 nan 0.000 0.537 824 N N -0.142 118.737 118.700 0.297 0.000 3.003 824 N HA -0.153 4.587 4.740 0.000 0.000 0.237 824 N C -0.574 175.179 175.510 0.405 0.000 0.969 824 N CA 1.072 54.339 53.050 0.363 0.000 0.941 824 N CB -1.447 37.218 38.487 0.296 0.000 1.098 824 N HN 0.728 nan 8.380 nan 0.000 0.563 825 S N -0.566 115.311 115.700 0.296 0.000 2.558 825 S HA 0.363 4.833 4.470 0.000 0.000 0.293 825 S C 1.623 176.218 174.600 -0.009 0.000 1.292 825 S CA 1.232 59.517 58.200 0.142 0.000 1.063 825 S CB 1.294 64.543 63.200 0.082 0.000 0.831 825 S HN 1.190 nan 8.310 nan 0.000 0.499 826 G N 2.250 110.945 108.800 -0.176 0.000 2.225 826 G HA2 -0.256 3.704 3.960 0.000 0.000 0.254 826 G HA3 -0.256 3.704 3.960 0.000 0.000 0.254 826 G C 0.193 174.655 174.900 -0.731 0.000 0.988 826 G CA 0.403 45.201 45.100 -0.502 0.000 0.625 826 G HN 0.864 nan 8.290 nan 0.000 0.527 827 F N -0.427 119.537 119.950 0.023 0.000 2.767 827 F HA 0.658 5.185 4.527 0.000 0.000 0.323 827 F C 0.818 176.621 175.800 0.005 0.000 1.091 827 F CA -0.240 57.768 58.000 0.015 0.000 1.192 827 F CB 1.133 40.148 39.000 0.026 0.000 1.056 827 F HN 0.168 nan 8.300 nan 0.000 0.571 828 V N -0.403 119.591 119.914 0.134 0.000 3.040 828 V HA 0.767 4.887 4.120 0.000 0.000 0.312 828 V C 0.258 176.369 176.094 0.030 0.000 1.115 828 V CA -1.087 61.258 62.300 0.075 0.000 0.998 828 V CB 1.920 33.807 31.823 0.106 0.000 1.042 828 V HN 0.115 nan 8.190 nan 0.000 0.433 829 G N 0.783 109.577 108.800 -0.010 0.000 2.569 829 G HA2 0.326 4.286 3.960 0.000 0.000 0.249 829 G HA3 0.326 4.286 3.960 0.000 0.000 0.249 829 G C -1.258 173.678 174.900 0.061 0.000 1.216 829 G CA 0.011 45.103 45.100 -0.014 0.000 0.845 829 G HN 0.649 nan 8.290 nan 0.000 0.568 830 Y N 1.411 121.674 120.300 -0.061 0.000 2.367 830 Y HA 0.373 4.923 4.550 0.000 0.000 0.342 830 Y C 1.040 176.933 175.900 -0.013 0.000 0.979 830 Y CA -1.010 57.068 58.100 -0.038 0.000 1.161 830 Y CB 0.385 38.814 38.460 -0.052 0.000 1.155 830 Y HN 0.523 nan 8.280 nan 0.000 0.503 831 L N 4.050 125.010 121.223 -0.438 0.000 3.976 831 L HA -0.310 4.030 4.340 0.000 0.000 0.418 831 L C -0.120 176.720 176.870 -0.050 0.000 1.177 831 L CA 0.967 55.594 54.840 -0.355 0.000 0.968 831 L CB -1.945 39.718 42.059 -0.659 0.000 1.933 831 L HN 0.793 nan 8.230 nan 0.000 0.976 832 A N -1.913 120.876 122.820 -0.052 0.000 2.567 832 A HA 0.722 5.042 4.320 0.000 0.000 0.291 832 A C -2.590 174.919 177.584 -0.124 0.000 1.048 832 A CA -0.639 51.379 52.037 -0.032 0.000 0.661 832 A CB 0.933 19.949 19.000 0.026 0.000 1.288 832 A HN -0.130 nan 8.150 nan 0.000 0.424 833 P HA 0.158 nan 4.420 nan 0.000 0.243 833 P C 0.493 177.668 177.300 -0.208 0.000 1.668 833 P CA 0.545 63.453 63.100 -0.320 0.000 0.898 833 P CB -0.670 30.789 31.700 -0.401 0.000 1.637 834 T N -4.043 110.421 114.554 -0.151 0.000 2.902 834 T HA 0.401 4.751 4.350 0.000 0.000 0.287 834 T C 0.609 175.224 174.700 -0.143 0.000 1.048 834 T CA -1.023 60.991 62.100 -0.144 0.000 0.941 834 T CB 0.367 69.143 68.868 -0.153 0.000 1.432 834 T HN -0.036 nan 8.240 nan 0.000 0.586 835 M N 1.662 121.166 119.600 -0.159 0.000 2.252 835 M HA 0.182 4.662 4.480 0.000 0.000 0.329 835 M C 0.281 176.514 176.300 -0.111 0.000 1.101 835 M CA -0.584 54.633 55.300 -0.137 0.000 1.117 835 M CB 0.482 32.985 32.600 -0.162 0.000 1.563 835 M HN 0.753 nan 8.290 nan 0.000 0.445 836 R N 2.939 123.391 120.500 -0.081 0.000 2.734 836 R HA 0.281 4.621 4.340 0.000 0.000 0.266 836 R C -1.008 175.235 176.300 -0.096 0.000 1.044 836 R CA 0.029 56.089 56.100 -0.066 0.000 1.128 836 R CB -0.004 30.273 30.300 -0.038 0.000 1.010 836 R HN 0.738 nan 8.270 nan 0.000 0.461 837 E N -0.567 119.574 120.200 -0.099 0.000 2.439 837 E HA 0.603 4.953 4.350 0.000 0.000 0.279 837 E C -0.388 176.125 176.600 -0.145 0.000 1.077 837 E CA -1.061 55.266 56.400 -0.121 0.000 0.849 837 E CB 0.813 30.449 29.700 -0.106 0.000 1.408 837 E HN 0.839 nan 8.360 nan 0.000 0.457 838 G N 0.521 109.223 108.800 -0.164 0.000 2.545 838 G HA2 -0.042 3.918 3.960 0.000 0.000 0.216 838 G HA3 -0.042 3.918 3.960 0.000 0.000 0.216 838 G C -1.152 173.623 174.900 -0.208 0.000 1.314 838 G CA 0.023 45.012 45.100 -0.185 0.000 0.906 838 G HN 0.950 nan 8.290 nan 0.000 0.563 839 Q N -1.415 118.263 119.800 -0.203 0.000 2.435 839 Q HA 0.760 5.100 4.340 0.000 0.000 0.282 839 Q C -0.148 175.788 176.000 -0.107 0.000 1.020 839 Q CA -0.446 55.246 55.803 -0.185 0.000 0.820 839 Q CB 1.572 30.241 28.738 -0.114 0.000 1.436 839 Q HN 2.274 nan 8.270 nan 0.000 0.395 840 A N 1.306 124.079 122.820 -0.078 0.000 2.555 840 A HA 0.400 4.720 4.320 0.000 0.000 0.233 840 A C -1.101 176.640 177.584 0.262 0.000 1.060 840 A CA 0.700 52.822 52.037 0.142 0.000 0.759 840 A CB -0.055 19.076 19.000 0.217 0.000 0.995 840 A HN 0.645 nan 8.150 nan 0.000 0.506 841 Y N 0.389 120.742 120.300 0.089 0.000 2.554 841 Y HA 0.338 4.888 4.550 0.000 0.000 0.338 841 Y C -2.453 173.519 175.900 0.120 0.000 1.247 841 Y CA -1.262 56.872 58.100 0.056 0.000 1.255 841 Y CB 1.322 39.754 38.460 -0.048 0.000 1.346 841 Y HN 0.635 nan 8.280 nan 0.000 0.481 842 P HA 0.237 nan 4.420 nan 0.000 0.261 842 P C -0.631 176.807 177.300 0.230 0.000 1.183 842 P CA 0.334 63.455 63.100 0.036 0.000 0.761 842 P CB 0.366 32.018 31.700 -0.078 0.000 0.785 843 A N 3.551 126.458 122.820 0.145 0.000 2.466 843 A HA 0.111 4.431 4.320 0.000 0.000 0.238 843 A C 1.172 178.744 177.584 -0.019 0.000 1.074 843 A CA -0.139 51.957 52.037 0.099 0.000 0.774 843 A CB -0.106 18.890 19.000 -0.006 0.000 1.015 843 A HN 0.704 nan 8.150 nan 0.000 0.498 844 N N -0.049 118.531 118.700 -0.200 0.000 2.177 844 N HA 0.250 4.990 4.740 0.000 0.000 0.218 844 N C -0.668 174.731 175.510 -0.185 0.000 1.182 844 N CA -0.075 52.831 53.050 -0.240 0.000 0.882 844 N CB 0.309 38.520 38.487 -0.460 0.000 1.052 844 N HN 0.486 nan 8.380 nan 0.000 0.519 845 F N 0.351 120.072 119.950 -0.382 0.000 2.708 845 F HA 0.574 5.101 4.527 0.000 0.000 0.309 845 F C -2.985 172.530 175.800 -0.474 0.000 1.120 845 F CA -1.356 56.397 58.000 -0.412 0.000 0.978 845 F CB 1.602 40.402 39.000 -0.334 0.000 1.283 845 F HN -0.226 nan 8.300 nan 0.000 0.439 846 P HA 0.283 nan 4.420 nan 0.000 0.284 846 P C -1.457 175.434 177.300 -0.681 0.000 1.292 846 P CA -0.207 62.021 63.100 -1.453 0.000 0.800 846 P CB 0.735 31.745 31.700 -1.149 0.000 1.188 847 Y N -0.078 119.950 120.300 -0.453 0.000 2.425 847 Y HA 0.217 4.767 4.550 0.000 0.000 0.331 847 Y C -1.365 174.396 175.900 -0.233 0.000 1.157 847 Y CA -1.415 56.534 58.100 -0.251 0.000 1.372 847 Y CB -0.870 37.470 38.460 -0.201 0.000 1.253 847 Y HN 0.205 nan 8.280 nan 0.000 0.536 848 P HA 0.143 nan 4.420 nan 0.000 0.276 848 P C -0.051 177.203 177.300 -0.077 0.000 1.253 848 P CA 0.128 63.200 63.100 -0.047 0.000 0.766 848 P CB 0.743 32.425 31.700 -0.030 0.000 0.845 849 L N 2.893 124.069 121.223 -0.079 0.000 2.640 849 L HA 0.250 4.590 4.340 0.000 0.000 0.230 849 L C 1.069 177.895 176.870 -0.073 0.000 1.123 849 L CA 0.115 54.899 54.840 -0.093 0.000 0.900 849 L CB -0.176 41.827 42.059 -0.092 0.000 1.146 849 L HN 0.391 nan 8.230 nan 0.000 0.484 850 I N -4.013 116.523 120.570 -0.056 0.000 3.206 850 I HA 0.952 5.122 4.170 0.000 0.000 0.313 850 I C 0.353 176.450 176.117 -0.034 0.000 1.103 850 I CA -0.694 60.581 61.300 -0.041 0.000 0.985 850 I CB 1.697 39.677 38.000 -0.032 0.000 1.240 850 I HN -0.027 nan 8.210 nan 0.000 0.464 851 G N 2.079 110.863 108.800 -0.025 0.000 2.685 851 G HA2 -0.166 3.794 3.960 0.000 0.000 0.387 851 G HA3 -0.166 3.794 3.960 0.000 0.000 0.387 851 G C -0.057 174.834 174.900 -0.015 0.000 1.324 851 G CA -0.058 45.031 45.100 -0.018 0.000 0.878 851 G HN 0.867 nan 8.290 nan 0.000 0.527 852 K N -0.864 119.531 120.400 -0.008 0.000 2.486 852 K HA 0.087 4.407 4.320 0.000 0.000 0.194 852 K C 1.852 178.453 176.600 0.002 0.000 1.033 852 K CA 1.352 57.637 56.287 -0.003 0.000 1.004 852 K CB 0.091 32.592 32.500 0.001 0.000 0.798 852 K HN 0.368 nan 8.250 nan 0.000 0.495 853 T N 0.592 115.146 114.554 0.001 0.000 3.044 853 T HA 0.215 4.565 4.350 0.000 0.000 0.260 853 T C 0.167 174.861 174.700 -0.010 0.000 1.019 853 T CA -0.244 61.864 62.100 0.012 0.000 0.921 853 T CB 0.273 69.156 68.868 0.025 0.000 1.053 853 T HN 0.219 nan 8.240 nan 0.000 0.533 854 A N 1.936 124.733 122.820 -0.038 0.000 2.609 854 A HA 0.329 4.649 4.320 0.000 0.000 0.232 854 A C 0.767 178.268 177.584 -0.139 0.000 1.041 854 A CA -0.073 51.913 52.037 -0.084 0.000 0.753 854 A CB -0.186 18.770 19.000 -0.073 0.000 0.966 854 A HN 0.477 nan 8.150 nan 0.000 0.510 855 V N 0.787 120.530 119.914 -0.286 0.000 2.953 855 V HA 0.308 4.428 4.120 0.000 0.000 0.304 855 V C 0.212 176.111 176.094 -0.326 0.000 1.073 855 V CA -1.171 60.805 62.300 -0.540 0.000 1.064 855 V CB 0.726 31.839 31.823 -1.183 0.000 1.047 855 V HN 0.791 nan 8.190 nan 0.000 0.478 856 D N 2.732 122.996 120.400 -0.228 0.000 2.487 856 D HA 0.208 4.848 4.640 0.000 0.000 0.243 856 D C 0.457 176.661 176.300 -0.160 0.000 1.154 856 D CA 0.689 54.626 54.000 -0.106 0.000 0.876 856 D CB 1.028 41.829 40.800 0.003 0.000 1.161 856 D HN 0.959 nan 8.370 nan 0.000 0.478 857 S N 1.666 117.290 115.700 -0.125 0.000 2.726 857 S HA 0.739 5.209 4.470 0.000 0.000 0.308 857 S C -0.484 174.056 174.600 -0.102 0.000 1.115 857 S CA -0.875 57.247 58.200 -0.131 0.000 0.965 857 S CB 2.050 65.171 63.200 -0.131 0.000 1.145 857 S HN 0.299 nan 8.310 nan 0.000 0.532 858 I N 0.530 121.036 120.570 -0.108 0.000 2.647 858 I HA 0.494 4.664 4.170 0.000 0.000 0.295 858 I C -0.447 175.613 176.117 -0.095 0.000 1.078 858 I CA -0.068 61.179 61.300 -0.088 0.000 1.048 858 I CB 2.386 40.334 38.000 -0.086 0.000 1.239 858 I HN 0.872 nan 8.210 nan 0.000 0.421 859 T N 5.800 120.313 114.554 -0.069 0.000 2.837 859 T HA 0.538 4.888 4.350 0.000 0.000 0.285 859 T C -0.629 174.043 174.700 -0.046 0.000 0.984 859 T CA -0.559 61.501 62.100 -0.067 0.000 1.049 859 T CB 0.858 69.704 68.868 -0.037 0.000 0.947 859 T HN 0.432 nan 8.240 nan 0.000 0.472 860 Q N 1.983 121.741 119.800 -0.069 0.000 2.321 860 Q HA 0.486 4.826 4.340 0.000 0.000 0.270 860 Q C -0.976 175.121 176.000 0.161 0.000 1.032 860 Q CA -0.871 54.940 55.803 0.014 0.000 0.784 860 Q CB 2.344 31.048 28.738 -0.056 0.000 1.264 860 Q HN 0.506 nan 8.270 nan 0.000 0.448 861 K N 2.184 122.727 120.400 0.237 0.000 2.371 861 K HA 0.639 4.959 4.320 0.000 0.000 0.251 861 K C -0.770 175.991 176.600 0.268 0.000 0.934 861 K CA -0.903 55.553 56.287 0.282 0.000 0.798 861 K CB 2.335 34.950 32.500 0.193 0.000 1.204 861 K HN 0.559 nan 8.250 nan 0.000 0.427 862 K N 0.475 121.009 120.400 0.224 0.000 2.491 862 K HA 0.596 4.916 4.320 0.000 0.000 0.275 862 K C -1.497 175.200 176.600 0.162 0.000 0.982 862 K CA -0.994 55.358 56.287 0.109 0.000 0.794 862 K CB 1.222 33.665 32.500 -0.096 0.000 1.488 862 K HN 0.528 nan 8.250 nan 0.000 0.360 863 F N -1.328 118.612 119.950 -0.016 0.000 2.744 863 F HA 0.650 5.177 4.527 0.000 0.000 0.311 863 F C -2.374 173.423 175.800 -0.005 0.000 1.144 863 F CA -1.240 56.740 58.000 -0.033 0.000 0.938 863 F CB 0.873 39.937 39.000 0.107 0.000 1.292 863 F HN 0.313 nan 8.300 nan 0.000 0.444 864 L N 2.015 123.337 121.223 0.165 0.000 2.333 864 L HA 0.713 5.053 4.340 0.000 0.000 0.269 864 L C -0.627 176.501 176.870 0.431 0.000 1.010 864 L CA -0.834 54.080 54.840 0.123 0.000 0.818 864 L CB 1.798 43.823 42.059 -0.057 0.000 1.306 864 L HN 1.029 nan 8.230 nan 0.000 0.430 865 C N 2.030 121.591 119.300 0.436 0.000 3.173 865 C HA 0.291 4.751 4.460 0.000 0.000 0.209 865 C C -0.435 174.708 174.990 0.255 0.000 1.229 865 C CA -0.848 58.406 59.018 0.393 0.000 1.109 865 C CB -1.018 27.065 27.740 0.572 0.000 1.833 865 C HN 0.785 nan 8.230 nan 0.000 0.626 866 D N 1.547 122.121 120.400 0.290 0.000 2.354 866 D HA 0.102 4.742 4.640 0.000 0.000 0.238 866 D C 1.042 177.552 176.300 0.350 0.000 1.250 866 D CA 0.372 54.595 54.000 0.371 0.000 0.911 866 D CB 0.391 41.471 40.800 0.468 0.000 1.163 866 D HN 0.710 nan 8.370 nan 0.000 0.456 867 R N -1.390 119.390 120.500 0.466 0.000 3.358 867 R HA -0.248 4.092 4.340 0.000 0.000 0.248 867 R C -0.913 175.662 176.300 0.459 0.000 0.981 867 R CA 0.980 57.360 56.100 0.467 0.000 0.662 867 R CB -2.374 28.178 30.300 0.420 0.000 1.037 867 R HN 0.385 nan 8.270 nan 0.000 0.460 868 T N -0.183 114.572 114.554 0.336 0.000 2.816 868 T HA 0.685 5.035 4.350 0.000 0.000 0.299 868 T C -1.066 173.571 174.700 -0.105 0.000 1.230 868 T CA -0.808 61.392 62.100 0.166 0.000 1.007 868 T CB 1.304 70.233 68.868 0.101 0.000 1.289 868 T HN 0.271 nan 8.240 nan 0.000 0.508 869 L N 1.823 122.919 121.223 -0.211 0.000 2.346 869 L HA 0.557 4.897 4.340 0.000 0.000 0.276 869 L C -0.589 176.039 176.870 -0.404 0.000 1.006 869 L CA -0.926 53.649 54.840 -0.441 0.000 0.817 869 L CB 1.679 43.504 42.059 -0.390 0.000 1.272 869 L HN 0.703 nan 8.230 nan 0.000 0.421 870 W N 2.836 123.790 121.300 -0.576 0.000 2.181 870 W HA 0.325 4.985 4.660 0.000 0.000 0.335 870 W C 0.292 176.441 176.519 -0.618 0.000 1.310 870 W CA -0.475 56.480 57.345 -0.650 0.000 1.226 870 W CB 0.606 29.348 29.460 -1.197 0.000 1.155 870 W HN 0.302 nan 8.180 nan 0.000 0.565 871 R N 3.243 123.637 120.500 -0.177 0.000 2.686 871 R HA 0.588 4.928 4.340 0.000 0.000 0.286 871 R C -0.938 175.238 176.300 -0.206 0.000 0.969 871 R CA -0.951 55.033 56.100 -0.193 0.000 0.898 871 R CB 1.854 32.022 30.300 -0.221 0.000 1.183 871 R HN 0.425 nan 8.270 nan 0.000 0.456 872 I N 3.663 124.237 120.570 0.008 0.000 2.583 872 I HA 0.272 4.442 4.170 0.000 0.000 0.276 872 I C -2.433 173.892 176.117 0.347 0.000 1.089 872 I CA -2.191 59.182 61.300 0.122 0.000 1.103 872 I CB 1.871 39.935 38.000 0.108 0.000 1.209 872 I HN 0.238 nan 8.210 nan 0.000 0.484 873 P HA 0.078 nan 4.420 nan 0.000 0.275 873 P C -0.335 177.225 177.300 0.434 0.000 1.227 873 P CA -0.218 63.020 63.100 0.230 0.000 0.781 873 P CB 0.660 32.460 31.700 0.166 0.000 0.906 874 F N 2.304 122.206 119.950 -0.081 0.000 2.669 874 F HA 0.294 4.821 4.527 0.000 0.000 0.353 874 F C 0.397 176.226 175.800 0.049 0.000 1.192 874 F CA -0.144 57.793 58.000 -0.104 0.000 1.317 874 F CB -0.560 38.127 39.000 -0.522 0.000 1.652 874 F HN 0.088 nan 8.300 nan 0.000 0.608 875 S N 0.267 116.044 115.700 0.130 0.000 2.521 875 S HA 0.324 4.794 4.470 0.000 0.000 0.295 875 S C 1.075 175.618 174.600 -0.095 0.000 1.098 875 S CA -0.044 58.152 58.200 -0.006 0.000 0.999 875 S CB 1.271 64.493 63.200 0.036 0.000 1.034 875 S HN 0.475 nan 8.310 nan 0.000 0.483 876 S N 3.558 119.170 115.700 -0.146 0.000 2.407 876 S HA -0.207 4.263 4.470 0.000 0.000 0.235 876 S C 0.963 175.365 174.600 -0.330 0.000 1.036 876 S CA 1.902 59.974 58.200 -0.212 0.000 1.013 876 S CB -0.732 62.379 63.200 -0.148 0.000 0.820 876 S HN 0.912 nan 8.310 nan 0.000 0.476 877 N N -0.785 117.776 118.700 -0.232 0.000 2.238 877 N HA 0.221 4.961 4.740 0.000 0.000 0.235 877 N C -0.014 175.523 175.510 0.045 0.000 1.209 877 N CA -0.364 52.600 53.050 -0.142 0.000 0.879 877 N CB -0.676 37.796 38.487 -0.026 0.000 1.136 877 N HN 0.278 nan 8.380 nan 0.000 0.517 878 F N -1.371 118.644 119.950 0.109 0.000 2.825 878 F HA -0.294 4.233 4.527 0.000 0.000 0.358 878 F C 0.449 176.264 175.800 0.024 0.000 0.639 878 F CA 0.614 58.661 58.000 0.079 0.000 1.153 878 F CB -2.051 36.972 39.000 0.038 0.000 1.610 878 F HN 0.121 nan 8.300 nan 0.000 0.305 879 M N -0.276 119.429 119.600 0.175 0.000 2.283 879 M HA 0.370 4.850 4.480 0.000 0.000 0.314 879 M C 0.684 177.015 176.300 0.051 0.000 1.153 879 M CA -0.099 55.262 55.300 0.103 0.000 1.084 879 M CB 0.802 33.473 32.600 0.118 0.000 1.468 879 M HN -0.060 nan 8.290 nan 0.000 0.474 880 S N 2.044 117.757 115.700 0.022 0.000 2.399 880 S HA 0.401 4.871 4.470 0.000 0.000 0.301 880 S C 0.225 174.833 174.600 0.013 0.000 1.093 880 S CA -0.450 57.752 58.200 0.002 0.000 1.077 880 S CB 0.166 63.353 63.200 -0.021 0.000 0.980 880 S HN 0.650 nan 8.310 nan 0.000 0.494 881 M N 2.264 121.871 119.600 0.012 0.000 2.416 881 M HA 0.329 4.809 4.480 0.000 0.000 0.337 881 M C 0.608 176.917 176.300 0.015 0.000 1.074 881 M CA -0.194 55.114 55.300 0.014 0.000 0.968 881 M CB 0.912 33.518 32.600 0.010 0.000 1.472 881 M HN 0.814 nan 8.290 nan 0.000 0.539 882 G N -0.192 108.617 108.800 0.015 0.000 2.307 882 G HA2 0.284 4.244 3.960 0.000 0.000 0.348 882 G HA3 0.284 4.244 3.960 0.000 0.000 0.348 882 G C 0.092 175.014 174.900 0.037 0.000 1.603 882 G CA -0.508 44.608 45.100 0.026 0.000 0.961 882 G HN 0.081 nan 8.290 nan 0.000 0.686 883 A N 0.285 123.140 122.820 0.058 0.000 1.892 883 A HA 0.114 4.434 4.320 0.000 0.000 0.218 883 A C 1.648 179.374 177.584 0.236 0.000 1.188 883 A CA 2.190 54.276 52.037 0.081 0.000 0.631 883 A CB -0.294 18.789 19.000 0.139 0.000 0.822 883 A HN 1.809 nan 8.150 nan 0.000 0.447 884 L N 2.105 123.499 121.223 0.285 0.000 2.334 884 L HA 0.312 4.652 4.340 0.000 0.000 0.286 884 L C 0.862 177.808 176.870 0.127 0.000 1.108 884 L CA 0.274 55.272 54.840 0.263 0.000 0.875 884 L CB -0.300 41.804 42.059 0.075 0.000 1.246 884 L HN 0.408 nan 8.230 nan 0.000 0.439 885 T N -0.020 114.605 114.554 0.118 0.000 2.795 885 T HA 0.040 4.390 4.350 0.000 0.000 0.314 885 T C 1.124 175.846 174.700 0.037 0.000 1.069 885 T CA 0.256 62.388 62.100 0.053 0.000 1.071 885 T CB 0.542 69.428 68.868 0.030 0.000 0.988 885 T HN 0.711 nan 8.240 nan 0.000 0.543 886 D N 1.500 121.898 120.400 -0.004 0.000 2.117 886 D HA -0.122 4.518 4.640 0.000 0.000 0.198 886 D C 2.078 178.367 176.300 -0.019 0.000 0.982 886 D CA 1.182 55.174 54.000 -0.012 0.000 0.828 886 D CB -0.578 40.204 40.800 -0.030 0.000 0.967 886 D HN 0.568 nan 8.370 nan 0.000 0.464 887 L N 0.366 121.525 121.223 -0.107 0.000 2.072 887 L HA 0.076 4.416 4.340 0.000 0.000 0.205 887 L C 2.704 179.588 176.870 0.024 0.000 1.079 887 L CA 1.301 56.015 54.840 -0.210 0.000 0.752 887 L CB -0.817 40.700 42.059 -0.903 0.000 0.906 887 L HN 0.213 nan 8.230 nan 0.000 0.436 888 G N -0.190 108.690 108.800 0.135 0.000 2.501 888 G HA2 -0.254 3.706 3.960 0.000 0.000 0.220 888 G HA3 -0.254 3.706 3.960 0.000 0.000 0.220 888 G C 1.341 176.371 174.900 0.217 0.000 1.114 888 G CA 0.687 45.957 45.100 0.283 0.000 0.757 888 G HN 0.601 nan 8.290 nan 0.000 0.559 889 Q N -0.228 119.661 119.800 0.148 0.000 2.194 889 Q HA 0.136 4.476 4.340 0.000 0.000 0.214 889 Q C 0.265 176.337 176.000 0.120 0.000 0.838 889 Q CA -0.599 55.273 55.803 0.115 0.000 0.972 889 Q CB -0.033 28.743 28.738 0.062 0.000 1.131 889 Q HN 0.245 nan 8.270 nan 0.000 0.498 890 N N 1.622 120.426 118.700 0.174 0.000 2.492 890 N HA 0.018 4.758 4.740 0.000 0.000 0.262 890 N C 1.011 176.603 175.510 0.136 0.000 1.202 890 N CA 0.078 53.222 53.050 0.157 0.000 0.926 890 N CB 0.896 39.518 38.487 0.226 0.000 1.078 890 N HN 0.332 nan 8.380 nan 0.000 0.454 891 L N 3.055 124.315 121.223 0.062 0.000 2.081 891 L HA -0.229 4.111 4.340 0.000 0.000 0.212 891 L C 2.199 179.078 176.870 0.015 0.000 1.080 891 L CA 1.146 56.011 54.840 0.041 0.000 0.754 891 L CB -0.410 41.659 42.059 0.017 0.000 0.893 891 L HN 0.626 nan 8.230 nan 0.000 0.433 892 L N -1.830 119.349 121.223 -0.073 0.000 2.265 892 L HA -0.205 4.135 4.340 0.000 0.000 0.215 892 L C 1.859 178.546 176.870 -0.305 0.000 1.117 892 L CA 1.758 56.465 54.840 -0.223 0.000 0.782 892 L CB -0.716 41.113 42.059 -0.384 0.000 0.914 892 L HN 0.097 nan 8.230 nan 0.000 0.441 893 Y N -0.831 119.509 120.300 0.067 0.000 2.462 893 Y HA 0.464 5.014 4.550 0.000 0.000 0.261 893 Y C 2.244 178.256 175.900 0.185 0.000 1.146 893 Y CA 0.303 58.468 58.100 0.108 0.000 1.283 893 Y CB -0.176 38.357 38.460 0.122 0.000 1.090 893 Y HN 0.283 nan 8.280 nan 0.000 0.526 894 A N -0.137 122.820 122.820 0.228 0.000 1.963 894 A HA 0.030 4.350 4.320 0.000 0.000 0.207 894 A C 1.600 179.253 177.584 0.115 0.000 1.243 894 A CA 0.538 52.674 52.037 0.165 0.000 0.728 894 A CB -0.259 18.814 19.000 0.122 0.000 0.895 894 A HN 0.211 nan 8.150 nan 0.000 0.467 895 N N 0.853 119.606 118.700 0.089 0.000 2.573 895 N HA -0.005 4.735 4.740 0.000 0.000 0.187 895 N C 0.102 175.642 175.510 0.052 0.000 1.107 895 N CA 1.026 54.109 53.050 0.055 0.000 0.918 895 N CB -0.057 38.449 38.487 0.031 0.000 0.966 895 N HN 0.593 nan 8.380 nan 0.000 0.448 896 S N -2.285 113.473 115.700 0.096 0.000 2.587 896 S HA 0.735 5.205 4.470 0.000 0.000 0.269 896 S C -1.173 173.487 174.600 0.100 0.000 1.154 896 S CA -1.069 57.154 58.200 0.037 0.000 0.824 896 S CB 1.484 64.643 63.200 -0.069 0.000 1.118 896 S HN 0.083 nan 8.310 nan 0.000 0.462 897 A N 1.395 124.203 122.820 -0.019 0.000 2.304 897 A HA 0.776 5.096 4.320 0.000 0.000 0.301 897 A C -0.303 177.224 177.584 -0.096 0.000 1.132 897 A CA -0.452 51.631 52.037 0.076 0.000 0.819 897 A CB 0.278 19.294 19.000 0.026 0.000 1.094 897 A HN 0.835 nan 8.150 nan 0.000 0.492 898 H N -0.275 119.028 119.070 0.388 0.000 2.895 898 H HA 0.611 5.167 4.556 0.000 0.000 0.373 898 H C -0.258 175.376 175.328 0.510 0.000 1.174 898 H CA -0.216 56.071 56.048 0.399 0.000 1.144 898 H CB 2.224 32.204 29.762 0.363 0.000 1.793 898 H HN 0.875 nan 8.280 nan 0.000 0.551 899 A N 1.875 124.965 122.820 0.450 0.000 2.306 899 A HA 0.571 4.891 4.320 0.000 0.000 0.330 899 A C -0.991 176.731 177.584 0.230 0.000 1.146 899 A CA -0.538 51.694 52.037 0.325 0.000 0.827 899 A CB 1.022 20.134 19.000 0.186 0.000 1.178 899 A HN 0.441 nan 8.150 nan 0.000 0.490 900 L N 1.192 122.497 121.223 0.138 0.000 2.408 900 L HA 0.623 4.963 4.340 0.000 0.000 0.268 900 L C -1.607 175.227 176.870 -0.062 0.000 0.986 900 L CA -0.194 54.557 54.840 -0.148 0.000 0.820 900 L CB 2.185 44.036 42.059 -0.348 0.000 1.303 900 L HN 0.673 nan 8.230 nan 0.000 0.411 901 D N 6.362 126.674 120.400 -0.147 0.000 2.505 901 D HA 0.509 5.149 4.640 0.000 0.000 0.249 901 D C -0.869 175.330 176.300 -0.167 0.000 1.082 901 D CA -0.207 53.737 54.000 -0.093 0.000 0.839 901 D CB 2.324 43.092 40.800 -0.053 0.000 1.317 901 D HN 0.496 nan 8.370 nan 0.000 0.497 902 M N 0.982 120.494 119.600 -0.148 0.000 2.464 902 M HA 0.333 4.813 4.480 0.000 0.000 0.308 902 M C -0.842 175.324 176.300 -0.224 0.000 1.127 902 M CA -0.568 54.572 55.300 -0.267 0.000 0.913 902 M CB 2.665 35.107 32.600 -0.263 0.000 1.689 902 M HN 0.072 nan 8.290 nan 0.000 0.445 903 T N 2.763 117.107 114.554 -0.350 0.000 2.906 903 T HA 0.585 4.935 4.350 0.000 0.000 0.302 903 T C -1.027 173.470 174.700 -0.338 0.000 1.002 903 T CA -0.388 61.581 62.100 -0.219 0.000 0.988 903 T CB 0.482 69.272 68.868 -0.130 0.000 0.972 903 T HN 0.270 nan 8.240 nan 0.000 0.447 904 F N 1.707 121.578 119.950 -0.132 0.000 2.422 904 F HA 0.495 5.022 4.527 0.000 0.000 0.333 904 F C 0.912 176.673 175.800 -0.064 0.000 1.095 904 F CA -0.909 57.031 58.000 -0.100 0.000 1.038 904 F CB 1.371 40.331 39.000 -0.067 0.000 1.156 904 F HN 0.410 nan 8.300 nan 0.000 0.483 905 E N 2.663 122.941 120.200 0.131 0.000 2.185 905 E HA 0.551 4.901 4.350 0.000 0.000 0.261 905 E C -1.364 175.253 176.600 0.029 0.000 0.879 905 E CA -0.620 55.810 56.400 0.050 0.000 0.756 905 E CB 1.831 31.536 29.700 0.009 0.000 1.152 905 E HN 0.518 nan 8.360 nan 0.000 0.416 906 V N 0.517 120.401 119.914 -0.050 0.000 3.074 906 V HA 0.539 4.659 4.120 0.000 0.000 0.314 906 V C -0.339 175.690 176.094 -0.108 0.000 1.117 906 V CA -1.058 61.147 62.300 -0.159 0.000 1.014 906 V CB 1.990 33.608 31.823 -0.343 0.000 1.057 906 V HN 0.453 nan 8.190 nan 0.000 0.438 907 D N 2.606 122.932 120.400 -0.122 0.000 2.372 907 D HA 0.396 5.036 4.640 0.000 0.000 0.243 907 D C -2.513 173.745 176.300 -0.070 0.000 1.121 907 D CA -0.833 53.126 54.000 -0.067 0.000 0.898 907 D CB 1.165 41.937 40.800 -0.047 0.000 1.202 907 D HN 0.578 nan 8.370 nan 0.000 0.428 908 P HA 0.230 nan 4.420 nan 0.000 0.279 908 P C -0.487 176.804 177.300 -0.015 0.000 1.239 908 P CA -0.186 62.899 63.100 -0.026 0.000 0.789 908 P CB 0.726 32.422 31.700 -0.007 0.000 0.933 909 M N 1.935 121.525 119.600 -0.018 0.000 2.395 909 M HA 0.191 4.670 4.480 0.000 0.000 0.307 909 M C 0.248 176.553 176.300 0.007 0.000 1.091 909 M CA -0.653 54.646 55.300 -0.001 0.000 0.919 909 M CB 2.065 34.657 32.600 -0.014 0.000 1.662 909 M HN 0.245 nan 8.290 nan 0.000 0.440 910 D N 0.658 121.072 120.400 0.023 0.000 2.355 910 D HA -0.039 4.601 4.640 0.000 0.000 0.253 910 D C -0.221 176.088 176.300 0.015 0.000 1.187 910 D CA 0.258 54.270 54.000 0.022 0.000 0.900 910 D CB -0.120 40.700 40.800 0.033 0.000 0.915 910 D HN 0.683 nan 8.370 nan 0.000 0.516 911 E N -1.446 118.760 120.200 0.009 0.000 2.390 911 E HA 0.453 4.803 4.350 0.000 0.000 0.277 911 E C -3.177 173.420 176.600 -0.005 0.000 0.939 911 E CA -2.561 53.841 56.400 0.004 0.000 0.769 911 E CB 1.531 31.238 29.700 0.011 0.000 1.251 911 E HN -0.232 nan 8.360 nan 0.000 0.450 912 P HA 0.044 nan 4.420 nan 0.000 0.267 912 P C -0.440 176.851 177.300 -0.015 0.000 1.205 912 P CA 0.284 63.375 63.100 -0.014 0.000 0.765 912 P CB 0.763 32.453 31.700 -0.017 0.000 0.828 913 T N 0.744 115.288 114.554 -0.017 0.000 2.742 913 T HA 0.800 5.150 4.350 0.000 0.000 0.282 913 T C -0.680 174.015 174.700 -0.008 0.000 1.025 913 T CA -0.888 61.200 62.100 -0.019 0.000 1.020 913 T CB 0.909 69.753 68.868 -0.040 0.000 1.317 913 T HN 0.150 nan 8.240 nan 0.000 0.538 914 L N 0.639 121.866 121.223 0.006 0.000 2.422 914 L HA 0.621 4.961 4.340 0.000 0.000 0.264 914 L C -1.308 175.611 176.870 0.081 0.000 0.984 914 L CA -1.244 53.619 54.840 0.038 0.000 0.819 914 L CB 2.260 44.332 42.059 0.022 0.000 1.330 914 L HN 0.653 nan 8.230 nan 0.000 0.410 915 L N 2.851 124.141 121.223 0.112 0.000 2.255 915 L HA 0.392 4.732 4.340 0.000 0.000 0.289 915 L C -1.103 175.926 176.870 0.265 0.000 1.046 915 L CA -0.096 54.817 54.840 0.122 0.000 0.816 915 L CB 0.560 42.581 42.059 -0.063 0.000 1.197 915 L HN 0.433 nan 8.230 nan 0.000 0.427 916 Y N 6.058 126.430 120.300 0.120 0.000 2.404 916 Y HA 0.567 5.117 4.550 0.000 0.000 0.344 916 Y C -1.058 174.921 175.900 0.132 0.000 0.970 916 Y CA -1.289 56.894 58.100 0.139 0.000 1.180 916 Y CB 0.872 39.419 38.460 0.143 0.000 1.138 916 Y HN 0.357 nan 8.280 nan 0.000 0.510 917 V N 7.669 127.784 119.914 0.336 0.000 2.417 917 V HA 0.363 4.483 4.120 0.000 0.000 0.291 917 V C -0.249 175.858 176.094 0.022 0.000 1.024 917 V CA -1.003 61.351 62.300 0.091 0.000 0.861 917 V CB 1.622 33.526 31.823 0.135 0.000 0.985 917 V HN 0.577 nan 8.190 nan 0.000 0.436 918 L N 4.930 126.039 121.223 -0.189 0.000 2.265 918 L HA 0.529 4.869 4.340 0.000 0.000 0.289 918 L C -0.896 175.876 176.870 -0.162 0.000 1.033 918 L CA -0.090 54.669 54.840 -0.135 0.000 0.814 918 L CB 1.122 43.042 42.059 -0.233 0.000 1.203 918 L HN 0.523 nan 8.230 nan 0.000 0.423 919 F N 1.833 121.749 119.950 -0.055 0.000 2.335 919 F HA 0.225 4.752 4.527 0.000 0.000 0.365 919 F C 0.969 176.689 175.800 -0.133 0.000 1.122 919 F CA -0.603 57.356 58.000 -0.069 0.000 1.151 919 F CB 0.679 39.466 39.000 -0.355 0.000 1.282 919 F HN 0.446 nan 8.300 nan 0.000 0.513 920 E N 3.575 123.706 120.200 -0.116 0.000 2.351 920 E HA 0.344 4.694 4.350 0.000 0.000 0.266 920 E C -0.051 176.419 176.600 -0.217 0.000 1.031 920 E CA -0.213 56.032 56.400 -0.259 0.000 0.911 920 E CB 0.888 30.352 29.700 -0.392 0.000 0.986 920 E HN 0.484 nan 8.360 nan 0.000 0.446 921 V N -0.090 119.708 119.914 -0.194 0.000 3.065 921 V HA 0.562 4.682 4.120 0.000 0.000 0.312 921 V C -1.346 174.562 176.094 -0.310 0.000 1.412 921 V CA -1.157 61.087 62.300 -0.093 0.000 1.039 921 V CB 1.087 32.980 31.823 0.116 0.000 1.077 921 V HN 0.414 nan 8.190 nan 0.000 0.473 922 F N 1.202 121.147 119.950 -0.008 0.000 2.411 922 F HA 0.696 5.223 4.527 0.000 0.000 0.352 922 F C -0.066 175.726 175.800 -0.013 0.000 1.123 922 F CA -0.180 57.803 58.000 -0.029 0.000 1.044 922 F CB 1.296 40.292 39.000 -0.007 0.000 1.135 922 F HN 0.577 nan 8.300 nan 0.000 0.461 923 D N 3.980 124.403 120.400 0.039 0.000 2.438 923 D HA 0.474 5.114 4.640 0.000 0.000 0.257 923 D C -1.086 175.210 176.300 -0.007 0.000 1.148 923 D CA 0.023 54.020 54.000 -0.007 0.000 0.902 923 D CB 1.107 41.786 40.800 -0.201 0.000 1.062 923 D HN 0.187 nan 8.370 nan 0.000 0.518 924 V N 2.191 122.229 119.914 0.207 0.000 3.001 924 V HA 0.673 4.793 4.120 0.000 0.000 0.314 924 V C -0.102 176.155 176.094 0.272 0.000 1.099 924 V CA -0.852 61.606 62.300 0.264 0.000 0.989 924 V CB 2.358 34.286 31.823 0.174 0.000 1.040 924 V HN 0.256 nan 8.190 nan 0.000 0.434 925 V N 1.809 121.835 119.914 0.188 0.000 2.841 925 V HA 0.636 4.756 4.120 0.000 0.000 0.310 925 V C -0.517 175.553 176.094 -0.041 0.000 1.090 925 V CA -0.848 61.388 62.300 -0.107 0.000 0.930 925 V CB 2.112 33.690 31.823 -0.408 0.000 1.014 925 V HN 0.848 nan 8.190 nan 0.000 0.425 926 R N 1.973 122.423 120.500 -0.083 0.000 2.439 926 R HA 0.727 5.067 4.340 0.000 0.000 0.310 926 R C -1.750 174.542 176.300 -0.013 0.000 0.955 926 R CA -0.367 55.709 56.100 -0.041 0.000 0.853 926 R CB 1.997 32.279 30.300 -0.030 0.000 1.171 926 R HN 0.629 nan 8.270 nan 0.000 0.449 927 V N 4.674 124.605 119.914 0.028 0.000 2.394 927 V HA 0.293 4.413 4.120 0.000 0.000 0.282 927 V C 0.046 176.214 176.094 0.122 0.000 1.031 927 V CA -0.618 61.728 62.300 0.076 0.000 0.881 927 V CB 1.220 33.108 31.823 0.108 0.000 0.982 927 V HN 0.668 nan 8.190 nan 0.000 0.451 928 H N 5.511 124.590 119.070 0.015 0.000 2.466 928 H HA 0.553 5.109 4.556 0.000 0.000 0.338 928 H C -0.428 174.915 175.328 0.024 0.000 1.091 928 H CA -0.830 55.224 56.048 0.010 0.000 1.207 928 H CB 1.372 31.140 29.762 0.009 0.000 1.466 928 H HN 0.571 nan 8.280 nan 0.000 0.493 929 R N 5.890 126.169 120.500 -0.369 0.000 2.738 929 R HA 0.186 4.526 4.340 0.000 0.000 0.280 929 R C -1.996 174.069 176.300 -0.392 0.000 1.456 929 R CA -1.693 54.255 56.100 -0.252 0.000 1.612 929 R CB 0.483 30.738 30.300 -0.076 0.000 1.286 929 R HN 0.501 nan 8.270 nan 0.000 0.660 930 P HA -0.146 nan 4.420 nan 0.000 0.216 930 P C -0.520 176.344 177.300 -0.727 0.000 1.153 930 P CA 1.506 64.200 63.100 -0.678 0.000 0.858 930 P CB 0.268 31.656 31.700 -0.520 0.000 0.789 931 H N -3.851 115.182 119.070 -0.061 0.000 2.977 931 H HA 0.387 4.943 4.556 0.000 0.000 0.350 931 H C -0.006 175.316 175.328 -0.010 0.000 1.238 931 H CA -1.119 54.915 56.048 -0.024 0.000 1.124 931 H CB 0.864 30.619 29.762 -0.011 0.000 1.866 931 H HN -0.246 nan 8.280 nan 0.000 0.550 932 R N 1.023 121.605 120.500 0.138 0.000 2.494 932 R HA 0.061 4.401 4.340 0.000 0.000 0.291 932 R C 0.309 176.609 176.300 0.000 0.000 0.953 932 R CA 1.408 57.541 56.100 0.055 0.000 1.098 932 R CB -0.515 29.803 30.300 0.031 0.000 0.911 932 R HN 1.097 nan 8.270 nan 0.000 0.407 933 G N 2.601 111.352 108.800 -0.082 0.000 2.273 933 G HA2 -0.247 3.713 3.960 0.000 0.000 0.280 933 G HA3 -0.247 3.713 3.960 0.000 0.000 0.280 933 G C -0.388 174.468 174.900 -0.074 0.000 1.047 933 G CA 0.273 45.206 45.100 -0.279 0.000 0.869 933 G HN 0.489 nan 8.290 nan 0.000 0.502 934 V N 1.111 121.073 119.914 0.080 0.000 2.488 934 V HA 0.564 4.684 4.120 0.000 0.000 0.293 934 V C 0.166 176.352 176.094 0.152 0.000 1.027 934 V CA -0.762 61.610 62.300 0.120 0.000 0.862 934 V CB 1.648 33.547 31.823 0.126 0.000 1.008 934 V HN 0.403 nan 8.190 nan 0.000 0.428 935 I N 3.199 123.876 120.570 0.180 0.000 2.411 935 I HA 0.618 4.788 4.170 0.000 0.000 0.284 935 I C -0.290 175.913 176.117 0.143 0.000 1.012 935 I CA -0.528 60.865 61.300 0.155 0.000 1.119 935 I CB 1.672 39.771 38.000 0.165 0.000 1.261 935 I HN 0.505 nan 8.210 nan 0.000 0.448 936 E N 4.558 124.843 120.200 0.143 0.000 2.183 936 E HA 0.571 4.921 4.350 0.000 0.000 0.271 936 E C -0.593 176.096 176.600 0.148 0.000 0.919 936 E CA -0.749 55.748 56.400 0.160 0.000 0.781 936 E CB 2.444 32.260 29.700 0.193 0.000 1.140 936 E HN 0.710 nan 8.360 nan 0.000 0.402 937 T N -1.596 113.043 114.554 0.141 0.000 2.908 937 T HA 0.625 4.975 4.350 0.000 0.000 0.290 937 T C -0.558 174.206 174.700 0.108 0.000 1.034 937 T CA -0.825 61.331 62.100 0.092 0.000 1.010 937 T CB 1.330 70.249 68.868 0.085 0.000 1.068 937 T HN 0.138 nan 8.240 nan 0.000 0.481 938 V N 2.681 122.606 119.914 0.018 0.000 2.380 938 V HA 0.379 4.499 4.120 0.000 0.000 0.286 938 V C -1.389 174.728 176.094 0.039 0.000 1.015 938 V CA -0.906 61.437 62.300 0.072 0.000 0.834 938 V CB 0.416 32.265 31.823 0.044 0.000 1.009 938 V HN 0.886 nan 8.190 nan 0.000 0.428 939 Y N 4.943 125.313 120.300 0.116 0.000 2.334 939 Y HA 0.745 5.295 4.550 0.000 0.000 0.328 939 Y C -0.106 175.872 175.900 0.130 0.000 1.130 939 Y CA -0.825 57.366 58.100 0.152 0.000 1.163 939 Y CB 1.759 40.325 38.460 0.177 0.000 1.207 939 Y HN 0.527 nan 8.280 nan 0.000 0.471 940 L N 4.481 125.880 121.223 0.293 0.000 2.516 940 L HA 0.513 4.853 4.340 0.000 0.000 0.267 940 L C -1.382 175.617 176.870 0.216 0.000 0.957 940 L CA -0.805 54.157 54.840 0.203 0.000 0.860 940 L CB 1.568 43.702 42.059 0.125 0.000 1.265 940 L HN 0.650 nan 8.230 nan 0.000 0.403 941 R N 3.583 124.199 120.500 0.193 0.000 2.371 941 R HA 0.730 5.070 4.340 0.000 0.000 0.312 941 R C -1.495 174.908 176.300 0.171 0.000 0.980 941 R CA -0.033 56.182 56.100 0.191 0.000 0.867 941 R CB 1.146 31.561 30.300 0.192 0.000 1.163 941 R HN 0.836 nan 8.270 nan 0.000 0.492 942 T N 2.261 116.934 114.554 0.198 0.000 2.912 942 T HA 0.507 4.857 4.350 0.000 0.000 0.299 942 T C -2.729 172.143 174.700 0.287 0.000 1.052 942 T CA -1.887 60.325 62.100 0.188 0.000 0.996 942 T CB 2.321 71.260 68.868 0.117 0.000 1.070 942 T HN 0.227 nan 8.240 nan 0.000 0.465 943 P HA 0.438 nan 4.420 nan 0.000 0.312 943 P C -0.234 177.207 177.300 0.236 0.000 1.307 943 P CA -0.581 62.608 63.100 0.149 0.000 0.738 943 P CB -0.130 31.569 31.700 -0.002 0.000 1.422 944 F N -3.050 116.791 119.950 -0.182 0.000 2.905 944 F HA -0.184 4.343 4.527 0.000 0.000 0.291 944 F C 0.199 175.961 175.800 -0.063 0.000 1.002 944 F CA 0.189 58.093 58.000 -0.160 0.000 0.978 944 F CB -2.787 36.126 39.000 -0.146 0.000 1.036 944 F HN -0.077 nan 8.300 nan 0.000 0.820 945 S N 0.061 115.780 115.700 0.032 0.000 2.562 945 S HA 0.644 5.114 4.470 0.000 0.000 0.281 945 S C 0.744 175.378 174.600 0.057 0.000 1.333 945 S CA -0.329 57.904 58.200 0.056 0.000 1.052 945 S CB 1.405 64.617 63.200 0.020 0.000 0.884 945 S HN 0.726 nan 8.310 nan 0.000 0.506 946 A N 0.000 122.868 122.820 0.080 0.000 2.254 946 A HA 0.000 4.320 4.320 0.000 0.000 0.244 946 A CA 0.000 52.076 52.037 0.066 0.000 0.836 946 A CB 0.000 19.046 19.000 0.077 0.000 0.831 946 A HN 0.000 nan 8.150 nan 0.000 0.486