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_K 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 0.000 175.622 176.300 -1.130 0.000 1.140 5 M CA 0.000 54.517 55.300 -1.305 0.000 0.988 5 M CB 0.000 32.160 32.600 -0.733 0.000 1.302 6 M N 0.551 119.710 119.600 -0.735 0.000 5.905 6 M HA -0.276 4.204 4.480 -0.000 0.000 0.326 6 M C -0.285 175.924 176.300 -0.151 0.000 0.705 6 M CA 2.897 58.020 55.300 -0.295 0.000 0.949 6 M CB -2.939 29.570 32.600 -0.153 0.000 1.421 6 M HN 0.737 nan 8.290 nan 0.000 0.862 7 P HA -0.257 nan 4.420 nan 0.000 0.216 7 P C 1.450 178.761 177.300 0.018 0.000 1.151 7 P CA 2.445 65.514 63.100 -0.052 0.000 0.953 7 P CB -0.477 31.172 31.700 -0.086 0.000 0.789 8 Q N -2.186 117.616 119.800 0.004 0.000 2.096 8 Q HA -0.197 4.143 4.340 -0.000 0.000 0.204 8 Q C 2.306 178.472 176.000 0.276 0.000 0.982 8 Q CA 1.536 57.414 55.803 0.125 0.000 0.850 8 Q CB -0.661 28.154 28.738 0.128 0.000 0.901 8 Q HN 0.338 nan 8.270 nan 0.000 0.422 9 W N 1.249 122.558 121.300 0.014 0.000 2.333 9 W HA -0.165 4.495 4.660 -0.000 0.000 0.316 9 W C 2.635 179.143 176.519 -0.017 0.000 1.215 9 W CA 1.342 58.692 57.345 0.008 0.000 1.278 9 W CB -1.248 28.222 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 2.140 122.325 120.300 -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 -0.459 0.000 1.154 11 Y CA 1.436 59.357 58.100 -0.298 0.000 1.149 11 Y CB -0.242 38.133 38.460 -0.142 0.000 0.976 11 Y HN 0.111 nan 8.280 nan 0.000 0.505 12 M N -0.723 118.776 119.600 -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 0.888 56.098 55.300 -0.150 0.000 1.060 12 M CB -1.126 31.504 32.600 0.050 0.000 1.535 12 M HN 0.423 nan 8.290 nan 0.000 0.507 13 H N -1.975 117.058 119.070 -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 0.831 56.847 56.048 -0.052 0.000 1.136 13 H CB -2.256 27.452 29.762 -0.090 0.000 1.243 13 H HN 0.368 nan 8.280 nan 0.000 0.328 14 I N 0.462 121.062 120.570 0.049 0.000 2.493 14 I HA -0.140 4.030 4.170 -0.000 0.000 0.254 14 I C 1.461 177.540 176.117 -0.063 0.000 1.160 14 I CA 1.516 62.775 61.300 -0.069 0.000 1.445 14 I CB 0.193 38.047 38.000 -0.244 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 -0.122 174.585 174.600 0.178 0.000 1.174 15 S CA -0.159 58.114 58.200 0.122 0.000 0.823 15 S CB 1.517 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 -0.957 174.056 174.900 0.188 0.000 1.237 16 G CA -0.167 45.040 45.100 0.178 0.000 0.954 16 G HN 1.048 nan 8.290 nan 0.000 0.580 17 Q N 0.463 120.407 119.800 0.241 0.000 2.382 17 Q HA 0.503 4.843 4.340 -0.000 0.000 0.229 17 Q C -0.600 175.569 176.000 0.281 0.000 1.006 17 Q CA -0.419 55.528 55.803 0.239 0.000 0.916 17 Q CB 0.685 29.569 28.738 0.243 0.000 1.235 17 Q HN 0.511 nan 8.270 nan 0.000 0.512 18 D N -0.369 120.079 120.400 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 -0.045 53.910 54.000 -0.076 0.000 0.929 18 D CB 1.395 42.146 40.800 -0.082 0.000 1.182 18 D HN 0.647 nan 8.370 nan 0.000 0.433 19 A N 1.430 123.816 122.820 -0.724 0.000 1.958 19 A HA -0.248 4.072 4.320 -0.000 0.000 0.221 19 A C 2.027 179.127 177.584 -0.807 0.000 1.178 19 A CA 2.609 53.898 52.037 -1.246 0.000 0.642 19 A CB -0.771 17.851 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 1.463 175.927 174.600 -0.227 0.000 1.016 20 S CA 1.503 59.537 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 1.860 178.436 176.600 -0.039 0.000 0.964 21 E CA 0.697 57.039 56.400 -0.096 0.000 0.868 21 E CB -0.300 29.386 29.700 -0.023 0.000 0.828 21 E HN 0.865 nan 8.360 nan 0.000 0.481 22 Y N 0.888 121.160 120.300 -0.046 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 57.930 58.100 -0.025 0.000 1.203 22 Y CB -0.511 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 1.848 122.965 121.223 -0.177 0.000 2.472 23 L HA 0.175 4.515 4.340 -0.000 0.000 0.260 23 L C 1.009 177.821 176.870 -0.095 0.000 1.209 23 L CA -0.285 54.465 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 0.801 116.456 115.700 -0.075 0.000 2.585 24 S HA 0.178 4.648 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 -1.073 57.100 58.200 -0.046 0.000 1.028 24 S CB 1.031 64.216 63.200 -0.027 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 1.584 64.664 63.100 -0.034 0.000 0.832 25 P CB -0.549 31.139 31.700 -0.019 0.000 0.787 26 G N 0.326 109.122 108.800 -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 1.482 176.408 174.900 0.045 0.000 1.158 26 G CA 0.639 45.753 45.100 0.023 0.000 0.771 26 G HN 0.240 nan 8.290 nan 0.000 0.545 27 L N 0.795 122.011 121.223 -0.013 0.000 2.046 27 L HA 0.010 4.350 4.340 -0.000 0.000 0.208 27 L C 2.908 179.775 176.870 -0.005 0.000 1.077 27 L CA 1.415 56.236 54.840 -0.033 0.000 0.747 27 L CB -0.587 41.394 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 3.108 179.196 176.094 -0.011 0.000 1.053 28 V CA 2.381 64.633 62.300 -0.079 0.000 1.027 28 V CB -1.410 30.350 31.823 -0.106 0.000 0.646 28 V HN 0.721 nan 8.190 nan 0.000 0.447 29 Q N -0.862 118.947 119.800 0.017 0.000 2.030 29 Q HA -0.318 4.022 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 2.344 58.164 55.803 0.027 0.000 0.843 29 Q CB -1.182 27.577 28.738 0.034 0.000 0.904 29 Q HN 0.695 nan 8.270 nan 0.000 0.420 30 F N 1.380 121.311 119.950 -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 1.714 59.704 58.000 -0.017 0.000 1.228 30 F CB -0.672 38.327 39.000 -0.002 0.000 0.984 30 F HN 0.350 nan 8.300 nan 0.000 0.477 31 A N 0.587 123.579 122.820 0.287 0.000 1.892 31 A HA -0.239 4.081 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 3.001 55.135 52.037 0.162 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 -0.820 119.660 120.500 -0.034 0.000 2.096 32 R HA 0.163 4.503 4.340 -0.000 0.000 0.235 32 R C 2.486 178.719 176.300 -0.112 0.000 1.127 32 R CA 2.218 58.278 56.100 -0.067 0.000 0.968 32 R CB -1.646 28.623 30.300 -0.051 0.000 0.861 32 R HN 0.967 nan 8.270 nan 0.000 0.440 33 A N 0.662 123.386 122.820 -0.159 0.000 1.970 33 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 33 A C 2.518 179.906 177.584 -0.328 0.000 1.170 33 A CA 2.041 53.957 52.037 -0.202 0.000 0.645 33 A CB -0.492 18.384 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 -0.662 0.000 1.105 34 T CA 1.487 63.079 62.100 -0.846 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 2.518 122.529 120.200 -0.314 0.000 2.170 35 E HA -0.347 4.003 4.350 -0.000 0.000 0.229 35 E C 2.227 178.730 176.600 -0.162 0.000 1.074 35 E CA 2.909 59.200 56.400 -0.182 0.000 0.930 35 E CB -2.264 27.370 29.700 -0.110 0.000 0.806 35 E HN 0.957 nan 8.360 nan 0.000 0.478 36 T N -2.334 112.141 114.554 -0.131 0.000 3.007 36 T HA -0.031 4.319 4.350 -0.000 0.000 0.270 36 T C 1.813 176.563 174.700 0.082 0.000 1.107 36 T CA 1.624 63.720 62.100 -0.007 0.000 1.118 36 T CB -0.475 68.429 68.868 0.059 0.000 0.889 36 T HN 0.916 nan 8.240 nan 0.000 0.506 37 Y N -1.646 118.685 120.300 0.052 0.000 2.423 37 Y HA 0.685 5.235 4.550 -0.000 0.000 0.257 37 Y C 0.163 176.190 175.900 0.213 0.000 1.087 37 Y CA -2.069 56.088 58.100 0.095 0.000 1.258 37 Y CB 0.644 39.146 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 -0.156 0.000 3.240 38 F HA 0.465 4.992 4.527 -0.000 0.000 0.370 38 F C -0.857 174.903 175.800 -0.067 0.000 1.271 38 F CA -1.397 56.578 58.000 -0.042 0.000 1.224 38 F CB 0.944 39.975 39.000 0.052 0.000 1.624 38 F HN -0.006 nan 8.300 nan 0.000 0.658 39 S N 5.865 121.339 115.700 -0.378 0.000 2.525 39 S HA 0.592 5.062 4.470 -0.000 0.000 0.278 39 S C 0.143 174.590 174.600 -0.255 0.000 1.234 39 S CA -0.541 57.513 58.200 -0.244 0.000 1.058 39 S CB 1.260 64.375 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 2.718 179.683 176.870 0.158 0.000 1.136 40 L CA 0.414 55.315 54.840 0.101 0.000 0.933 40 L CB -1.175 41.083 42.059 0.332 0.000 1.241 40 L HN 0.870 nan 8.230 nan 0.000 0.522 41 N N 1.733 120.477 118.700 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 1.922 55.019 53.050 0.079 0.000 0.857 41 N CB -0.921 37.573 38.487 0.012 0.000 1.013 41 N HN 0.573 nan 8.380 nan 0.000 0.426 42 N N 0.498 119.171 118.700 -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 -0.157 0.000 1.213 42 N CA 0.582 53.584 53.050 -0.080 0.000 0.864 42 N CB -0.008 38.430 38.487 -0.082 0.000 0.999 42 N HN 0.707 nan 8.380 nan 0.000 0.454 43 K N -0.507 119.719 120.400 -0.290 0.000 2.387 43 K HA 0.185 4.505 4.320 -0.000 0.000 0.203 43 K C -0.827 175.255 176.600 -0.864 0.000 1.030 43 K CA -0.233 55.706 56.287 -0.580 0.000 1.099 43 K CB 0.213 32.303 32.500 -0.683 0.000 0.863 43 K HN 0.008 nan 8.250 nan 0.000 0.529 44 F N 2.996 122.942 119.950 -0.008 0.000 2.539 44 F HA 0.338 4.865 4.527 -0.000 0.000 0.328 44 F C 0.089 175.893 175.800 0.007 0.000 1.148 44 F CA -1.262 56.748 58.000 0.016 0.000 0.940 44 F CB 1.362 40.351 39.000 -0.018 0.000 1.194 44 F HN -0.090 nan 8.300 nan 0.000 0.438 45 R N 1.577 122.180 120.500 0.172 0.000 2.539 45 R HA 0.445 4.785 4.340 -0.000 0.000 0.275 45 R C -0.987 175.387 176.300 0.123 0.000 1.077 45 R CA -0.502 55.664 56.100 0.111 0.000 1.097 45 R CB 0.605 30.955 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 -2.442 173.103 175.510 0.060 0.000 0.998 46 N CA -1.452 51.635 53.050 0.061 0.000 0.915 46 N CB 1.824 40.316 38.487 0.009 0.000 1.187 46 N HN 0.542 nan 8.380 nan 0.000 0.507 47 P HA 0.130 nan 4.420 nan 0.000 0.272 47 P C -0.429 176.890 177.300 0.032 0.000 1.223 47 P CA -0.106 63.031 63.100 0.061 0.000 0.784 47 P CB 0.505 32.261 31.700 0.094 0.000 0.923 48 T N -1.352 113.205 114.554 0.005 0.000 2.906 48 T HA 0.496 4.846 4.350 -0.000 0.000 0.302 48 T C -0.581 174.108 174.700 -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 0.849 176.940 176.094 -0.004 0.000 1.020 49 V CA -1.045 61.249 62.300 -0.009 0.000 0.850 49 V CB 1.122 32.956 31.823 0.018 0.000 0.987 49 V HN 1.232 nan 8.190 nan 0.000 0.436 50 A N 7.111 129.924 122.820 -0.011 0.000 2.386 50 A HA 0.698 5.018 4.320 -0.000 0.000 0.248 50 A C -2.012 175.568 177.584 -0.007 0.000 1.082 50 A CA -0.931 51.103 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 0.569 177.833 177.300 -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 -2.566 111.939 114.554 -0.081 0.000 3.023 52 T HA 0.162 4.512 4.350 -0.000 0.000 0.253 52 T C 0.365 175.113 174.700 0.081 0.000 1.038 52 T CA 0.066 62.183 62.100 0.028 0.000 0.962 52 T CB -0.656 68.281 68.868 0.114 0.000 1.018 52 T HN 0.722 nan 8.240 nan 0.000 0.521 53 H N -1.918 117.184 119.070 0.052 0.000 3.016 53 H HA 0.629 5.185 4.556 -0.000 0.000 0.362 53 H C -0.932 174.432 175.328 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 0.417 120.939 120.400 0.204 0.000 2.870 54 D HA -0.149 4.491 4.640 -0.000 0.000 0.228 54 D C 0.228 176.599 176.300 0.118 0.000 1.147 54 D CA 1.133 55.229 54.000 0.161 0.000 0.757 54 D CB -1.413 39.508 40.800 0.202 0.000 1.091 54 D HN 0.371 nan 8.370 nan 0.000 0.429 55 V N -1.311 118.678 119.914 0.125 0.000 3.161 55 V HA 0.094 4.214 4.120 -0.000 0.000 0.221 55 V C 1.096 177.345 176.094 0.259 0.000 1.296 55 V CA 1.218 63.628 62.300 0.183 0.000 1.306 55 V CB 1.041 32.953 31.823 0.149 0.000 1.171 55 V HN 0.119 nan 8.190 nan 0.000 0.513 56 T N 1.007 115.646 114.554 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 61.922 62.100 0.071 0.000 1.024 56 T CB 1.813 70.669 68.868 -0.019 0.000 1.090 56 T HN 0.384 nan 8.240 nan 0.000 0.496 57 T N 1.062 115.618 114.554 0.004 0.000 2.882 57 T HA 0.270 4.620 4.350 -0.000 0.000 0.287 57 T C 0.319 174.976 174.700 -0.072 0.000 1.014 57 T CA -0.689 61.367 62.100 -0.073 0.000 1.049 57 T CB 0.744 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 -0.008 120.331 120.400 -0.102 0.000 2.423 58 D HA 0.116 4.756 4.640 -0.000 0.000 0.208 58 D C 0.672 176.927 176.300 -0.076 0.000 1.068 58 D CA 0.164 54.124 54.000 -0.066 0.000 0.860 58 D CB 0.391 41.161 40.800 -0.050 0.000 0.992 58 D HN 0.363 nan 8.370 nan 0.000 0.504 59 R N 0.327 120.748 120.500 -0.131 0.000 2.637 59 R HA 0.308 4.648 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 -0.196 55.840 56.100 -0.107 0.000 1.177 59 R CB 0.472 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 0.028 58.222 58.200 -0.009 0.000 1.063 60 S CB 0.121 63.318 63.200 -0.005 0.000 0.881 60 S HN 0.464 nan 8.310 nan 0.000 0.493 61 Q N 3.218 123.017 119.800 -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 -0.768 55.033 55.803 -0.003 0.000 0.982 61 Q CB 0.780 29.538 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 0.728 177.044 176.300 0.027 0.000 1.077 62 R CA 0.120 56.213 56.100 -0.012 0.000 1.097 62 R CB 0.614 30.893 30.300 -0.035 0.000 1.018 62 R HN 0.729 nan 8.270 nan 0.000 0.483 63 L N 0.437 121.702 121.223 0.070 0.000 2.202 63 L HA 0.061 4.401 4.340 -0.000 0.000 0.205 63 L C 0.675 177.685 176.870 0.233 0.000 1.083 63 L CA 1.037 55.957 54.840 0.133 0.000 0.790 63 L CB 0.042 42.155 42.059 0.089 0.000 0.942 63 L HN 0.486 nan 8.230 nan 0.000 0.452 64 T N 1.424 116.089 114.554 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 -0.363 61.874 62.100 0.228 0.000 0.967 64 T CB 2.169 71.177 68.868 0.233 0.000 0.960 64 T HN -0.092 nan 8.240 nan 0.000 0.441 65 L N 3.094 124.392 121.223 0.125 0.000 2.342 65 L HA 0.726 5.066 4.340 -0.000 0.000 0.271 65 L C 0.134 176.761 176.870 -0.405 0.000 1.008 65 L CA -1.194 53.546 54.840 -0.166 0.000 0.818 65 L CB 2.023 43.935 42.059 -0.245 0.000 1.296 65 L HN 0.552 nan 8.230 nan 0.000 0.427 66 R N 1.399 121.496 120.500 -0.671 0.000 2.561 66 R HA 0.647 4.987 4.340 -0.000 0.000 0.297 66 R C -1.980 173.864 176.300 -0.759 0.000 0.969 66 R CA -0.487 55.104 56.100 -0.848 0.000 0.879 66 R CB 1.446 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 3.518 123.333 119.950 -0.225 0.000 2.469 67 F HA 0.464 4.991 4.527 -0.000 0.000 0.332 67 F C 0.155 176.054 175.800 0.165 0.000 1.103 67 F CA -1.212 56.793 58.000 0.009 0.000 0.979 67 F CB 1.451 40.505 39.000 0.091 0.000 1.137 67 F HN 0.258 nan 8.300 nan 0.000 0.463 68 I N 4.046 124.835 120.570 0.365 0.000 2.488 68 I HA 0.333 4.503 4.170 -0.000 0.000 0.299 68 I C -2.168 174.132 176.117 0.305 0.000 0.984 68 I CA -3.555 57.924 61.300 0.298 0.000 1.250 68 I CB 0.799 38.880 38.000 0.136 0.000 1.389 68 I HN 0.286 nan 8.210 nan 0.000 0.488 69 P HA 0.110 nan 4.420 nan 0.000 0.271 69 P C 0.849 178.053 177.300 -0.159 0.000 1.216 69 P CA -0.033 62.839 63.100 -0.380 0.000 0.771 69 P CB 1.163 32.551 31.700 -0.520 0.000 0.864 70 V N 1.504 121.316 119.914 -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 64.052 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 -1.249 119.058 120.400 -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 2.012 122.410 120.500 -0.171 0.000 2.744 72 R HA 0.843 5.183 4.340 -0.000 0.000 0.279 72 R C -0.800 175.334 176.300 -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 1.816 121.764 120.200 -0.420 0.000 2.502 73 E HA 0.145 4.495 4.350 -0.000 0.000 0.261 73 E C -1.659 174.609 176.600 -0.552 0.000 0.974 73 E CA -0.874 55.295 56.400 -0.386 0.000 0.795 73 E CB 1.834 31.382 29.700 -0.253 0.000 1.385 73 E HN 0.628 nan 8.360 nan 0.000 0.400 74 D N 2.336 122.408 120.400 -0.546 0.000 2.352 74 D HA 0.140 4.780 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 0.929 41.611 40.800 -0.197 0.000 1.057 74 D HN 0.155 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 1.420 176.031 174.700 -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 70.116 68.868 -0.271 0.000 1.237 75 T HN 0.302 nan 8.240 nan 0.000 0.591 76 A N 0.351 123.039 122.820 -0.220 0.000 1.873 76 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 76 A C 1.450 178.998 177.584 -0.059 0.000 1.193 76 A CA 2.163 54.114 52.037 -0.143 0.000 0.629 76 A CB -0.877 18.050 19.000 -0.121 0.000 0.826 76 A HN 0.932 nan 8.150 nan 0.000 0.447 77 Y N -1.759 118.543 120.300 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 0.248 0.000 1.161 77 Y CA -0.446 57.706 58.100 0.087 0.000 1.203 77 Y CB -0.471 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 -0.952 114.785 115.700 0.062 0.000 2.656 78 S HA 0.651 5.121 4.470 -0.000 0.000 0.273 78 S C -2.045 172.716 174.600 0.268 0.000 1.168 78 S CA -0.722 57.646 58.200 0.280 0.000 0.817 78 S CB 2.286 65.658 63.200 0.287 0.000 1.146 78 S HN 0.246 nan 8.310 nan 0.000 0.475 79 Y N 0.380 120.822 120.300 0.237 0.000 2.386 79 Y HA 0.671 5.221 4.550 -0.000 0.000 0.334 79 Y C -0.809 175.202 175.900 0.184 0.000 1.002 79 Y CA -0.492 57.718 58.100 0.184 0.000 1.068 79 Y CB 1.886 40.478 38.460 0.220 0.000 1.203 79 Y HN 0.967 nan 8.280 nan 0.000 0.443 80 K N 3.945 124.369 120.400 0.040 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 33.624 32.500 -0.109 0.000 1.102 80 K HN 0.668 nan 8.250 nan 0.000 0.436 81 A N 4.350 127.240 122.820 0.116 0.000 2.343 81 A HA 0.565 4.885 4.320 -0.000 0.000 0.308 81 A C -1.210 176.247 177.584 -0.213 0.000 1.092 81 A CA -0.798 51.199 52.037 -0.066 0.000 0.751 81 A CB 1.079 20.093 19.000 0.024 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 -0.423 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 -0.313 55.619 56.100 -0.279 0.000 0.864 82 R CB 0.811 31.036 30.300 -0.126 0.000 1.159 82 R HN 0.593 nan 8.270 nan 0.000 0.446 83 F N 0.233 120.254 119.950 0.119 0.000 2.611 83 F HA 0.402 4.929 4.527 -0.000 0.000 0.324 83 F C 0.251 176.112 175.800 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 41.504 39.000 0.165 0.000 1.301 83 F HN 0.246 nan 8.300 nan 0.000 0.482 84 T N 3.230 117.946 114.554 0.270 0.000 3.149 84 T HA 0.276 4.626 4.350 -0.000 0.000 0.373 84 T C -0.714 173.954 174.700 -0.052 0.000 1.364 84 T CA -0.317 61.866 62.100 0.138 0.000 1.110 84 T CB -0.024 68.922 68.868 0.130 0.000 1.127 84 T HN 0.353 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 -0.796 41.139 42.059 -0.207 0.000 1.217 85 L HN 0.559 nan 8.230 nan 0.000 0.464 86 A N 5.517 128.274 122.820 -0.106 0.000 2.287 86 A HA 0.675 4.995 4.320 -0.000 0.000 0.317 86 A C -0.791 176.978 177.584 0.309 0.000 1.220 86 A CA -0.598 51.547 52.037 0.180 0.000 0.835 86 A CB 1.028 20.152 19.000 0.207 0.000 1.180 86 A HN 0.489 nan 8.150 nan 0.000 0.500 87 V N 3.566 123.666 119.914 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 -0.150 62.356 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 1.081 nan 8.190 nan 0.000 0.457 88 G N 3.221 112.070 108.800 0.082 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 44.657 45.100 0.006 0.000 0.849 88 G HN 0.642 nan 8.290 nan 0.000 0.581 89 D N 0.687 121.067 120.400 -0.032 0.000 2.443 89 D HA 0.014 4.654 4.640 -0.000 0.000 0.239 89 D C 0.444 176.657 176.300 -0.146 0.000 1.136 89 D CA 0.493 54.460 54.000 -0.054 0.000 0.879 89 D CB 0.510 41.282 40.800 -0.047 0.000 1.195 89 D HN 0.422 nan 8.370 nan 0.000 0.443 90 N N 1.470 120.088 118.700 -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 -0.461 120.031 120.500 -0.013 0.000 2.740 91 R HA 0.739 5.079 4.340 -0.000 0.000 0.273 91 R C -0.432 175.981 176.300 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 32.853 30.300 0.101 0.000 1.223 91 R HN -0.003 nan 8.270 nan 0.000 0.466 92 V N -0.465 119.607 119.914 0.264 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 0.186 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 2.588 123.819 121.223 0.014 0.000 2.381 93 L HA 0.700 5.040 4.340 -0.000 0.000 0.274 93 L C -0.710 176.043 176.870 -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 -0.393 0.000 1.263 93 L HN 0.921 nan 8.230 nan 0.000 0.410 94 D N 5.497 125.788 120.400 -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 2.832 122.313 119.600 -0.199 0.000 2.192 95 M HA -0.210 4.270 4.480 -0.000 0.000 0.259 95 M C 1.920 178.117 176.300 -0.172 0.000 1.071 95 M CA 0.933 56.091 55.300 -0.237 0.000 1.082 95 M CB -1.204 31.223 32.600 -0.287 0.000 1.373 95 M HN 0.513 nan 8.290 nan 0.000 0.408 96 A N -0.015 122.736 122.820 -0.116 0.000 2.076 96 A HA -0.105 4.215 4.320 -0.000 0.000 0.220 96 A C 2.186 179.775 177.584 0.008 0.000 1.160 96 A CA 1.882 53.883 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 0.157 4.627 4.470 -0.000 0.000 0.221 97 S C 0.654 175.317 174.600 0.105 0.000 0.952 97 S CA 0.412 58.660 58.200 0.081 0.000 0.930 97 S CB -1.007 62.225 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 69.946 68.868 -0.237 0.000 1.068 98 T HN 0.701 nan 8.240 nan 0.000 0.497 99 Y N -1.453 118.759 120.300 -0.147 0.000 2.620 99 Y HA 0.646 5.196 4.550 -0.000 0.000 0.331 99 Y C -2.228 173.558 175.900 -0.190 0.000 1.173 99 Y CA -2.364 55.643 58.100 -0.154 0.000 1.076 99 Y CB 0.523 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 1.966 122.055 119.950 0.231 0.000 2.404 100 F HA 0.340 4.867 4.527 -0.000 0.000 0.358 100 F C 0.119 176.034 175.800 0.192 0.000 1.120 100 F CA -0.479 57.586 58.000 0.108 0.000 1.144 100 F CB 0.917 39.969 39.000 0.086 0.000 1.133 100 F HN 0.565 nan 8.300 nan 0.000 0.495 101 D N 4.381 125.015 120.400 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 0.118 54.345 54.000 0.378 0.000 0.856 101 D CB 0.496 41.608 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 0.060 176.217 176.117 0.067 0.000 1.020 102 I CA -0.915 60.397 61.300 0.021 0.000 1.088 102 I CB 1.844 39.763 38.000 -0.135 0.000 1.267 102 I HN 0.152 nan 8.210 nan 0.000 0.430 103 R N 3.711 124.142 120.500 -0.115 0.000 2.621 103 R HA 0.844 5.184 4.340 -0.000 0.000 0.292 103 R C -0.384 175.651 176.300 -0.441 0.000 0.969 103 R CA -0.795 55.122 56.100 -0.304 0.000 0.887 103 R CB 2.427 32.536 30.300 -0.319 0.000 1.180 103 R HN 0.887 nan 8.270 nan 0.000 0.450 104 G N 0.653 108.892 108.800 -0.935 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 -1.749 172.639 174.900 -0.855 0.000 1.292 104 G CA -0.441 44.175 45.100 -0.808 0.000 0.811 104 G HN 0.296 nan 8.290 nan 0.000 0.482 105 V N 0.155 119.883 119.914 -0.311 0.000 2.680 105 V HA 0.794 4.914 4.120 -0.000 0.000 0.309 105 V C -0.725 175.532 176.094 0.271 0.000 1.052 105 V CA -0.687 61.607 62.300 -0.010 0.000 0.908 105 V CB 1.578 33.390 31.823 -0.018 0.000 1.001 105 V HN 0.975 nan 8.190 nan 0.000 0.431 106 L N 2.825 124.240 121.223 0.320 0.000 2.431 106 L HA 0.807 5.147 4.340 -0.000 0.000 0.266 106 L C -1.373 175.549 176.870 0.087 0.000 0.978 106 L CA -0.089 54.867 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 2.974 123.392 120.400 0.030 0.000 2.453 107 D HA 0.348 4.988 4.640 -0.000 0.000 0.238 107 D C 0.585 176.814 176.300 -0.118 0.000 1.088 107 D CA -0.384 53.629 54.000 0.021 0.000 0.854 107 D CB 1.512 42.394 40.800 0.138 0.000 1.076 107 D HN 0.625 nan 8.370 nan 0.000 0.533 108 R N 2.157 122.512 120.500 -0.242 0.000 2.328 108 R HA 0.267 4.607 4.340 -0.000 0.000 0.207 108 R C 1.353 177.543 176.300 -0.182 0.000 1.056 108 R CA 0.650 56.570 56.100 -0.300 0.000 1.016 108 R CB -0.191 29.755 30.300 -0.590 0.000 0.872 108 R HN 0.668 nan 8.270 nan 0.000 0.471 109 G N 0.079 108.785 108.800 -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 -2.102 172.723 174.900 -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 1.730 178.881 177.300 -0.249 0.000 1.168 110 P CA 2.239 65.254 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 0.020 4.370 4.350 -0.000 0.000 0.253 111 T C 0.302 174.645 174.700 -0.595 0.000 1.134 111 T CA -0.479 61.218 62.100 -0.672 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 2.586 122.269 119.950 -0.445 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 -0.393 0.000 1.090 112 F CA -1.080 56.702 58.000 -0.364 0.000 1.188 112 F CB 0.573 39.414 39.000 -0.265 0.000 1.105 112 F HN -0.007 nan 8.300 nan 0.000 0.536 113 K N 9.056 128.807 120.400 -1.081 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 -1.275 0.000 1.084 113 K CA -1.745 53.850 56.287 -1.154 0.000 1.063 113 K CB 1.315 33.317 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 -1.296 175.761 177.300 -0.404 0.000 1.577 114 P CA 0.389 62.951 63.100 -0.897 0.000 0.805 114 P CB -0.802 30.740 31.700 -0.263 0.000 1.706 115 Y N -5.475 114.496 120.300 -0.548 0.000 2.810 115 Y HA 0.563 5.113 4.550 -0.000 0.000 0.355 115 Y C -1.061 174.711 175.900 -0.214 0.000 1.211 115 Y CA -1.376 56.584 58.100 -0.234 0.000 1.112 115 Y CB -0.141 38.236 38.460 -0.138 0.000 1.383 115 Y HN -0.374 nan 8.280 nan 0.000 0.458 116 S N 0.901 116.678 115.700 0.130 0.000 2.608 116 S HA 0.787 5.257 4.470 -0.000 0.000 0.291 116 S C 0.331 175.044 174.600 0.189 0.000 1.146 116 S CA 0.116 58.338 58.200 0.038 0.000 1.043 116 S CB 1.033 64.234 63.200 0.001 0.000 1.037 116 S HN 1.827 nan 8.310 nan 0.000 0.520 117 G N 1.946 110.821 108.800 0.124 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 -0.289 44.913 45.100 0.170 0.000 0.880 117 G HN 0.919 nan 8.290 nan 0.000 0.566 118 T N -0.836 113.748 114.554 0.049 0.000 2.940 118 T HA 0.770 5.120 4.350 -0.000 0.000 0.288 118 T C 1.087 175.652 174.700 -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 -0.416 0.000 1.151 118 T HN 1.904 nan 8.240 nan 0.000 0.529 119 A N -0.215 122.350 122.820 -0.425 0.000 2.343 119 A HA 0.411 4.731 4.320 -0.000 0.000 0.223 119 A C -0.508 176.563 177.584 -0.855 0.000 1.214 119 A CA 0.125 51.710 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 0.330 120.547 120.300 -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 -1.806 56.238 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 0.955 119.702 118.700 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 0.800 53.894 53.050 0.074 0.000 0.726 121 N CB -0.713 37.843 38.487 0.114 0.000 0.908 121 N HN 0.915 nan 8.380 nan 0.000 0.542 122 A N -0.245 122.587 122.820 0.021 0.000 2.019 122 A HA -0.042 4.278 4.320 -0.000 0.000 0.219 122 A C 2.178 179.914 177.584 0.254 0.000 1.164 122 A CA 1.045 53.154 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 -0.787 120.534 121.223 0.164 0.000 2.492 123 L HA 0.145 4.485 4.340 -0.000 0.000 0.223 123 L C 1.413 178.371 176.870 0.147 0.000 1.132 123 L CA 0.030 54.952 54.840 0.138 0.000 0.850 123 L CB -0.465 41.650 42.059 0.093 0.000 0.966 123 L HN 0.353 nan 8.230 nan 0.000 0.454 124 A N 1.148 124.088 122.820 0.199 0.000 2.440 124 A HA 0.372 4.692 4.320 -0.000 0.000 0.251 124 A C -2.127 175.542 177.584 0.141 0.000 1.089 124 A CA -1.148 50.995 52.037 0.176 0.000 0.779 124 A CB -0.460 18.657 19.000 0.196 0.000 1.022 124 A HN -0.063 nan 8.150 nan 0.000 0.492 125 P HA 0.045 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 0.106 63.204 63.100 -0.003 0.000 0.765 125 P CB 0.403 32.109 31.700 0.010 0.000 0.823 126 K N 1.797 122.086 120.400 -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 1.556 57.686 56.287 -0.261 0.000 0.937 126 K CB -0.414 31.830 32.500 -0.426 0.000 0.757 126 K HN 0.628 nan 8.250 nan 0.000 0.474 127 G N 0.389 109.159 108.800 -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 -0.021 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 1.519 124.357 122.820 0.030 0.000 2.511 128 A HA 0.568 4.888 4.320 -0.000 0.000 0.242 128 A C -2.210 175.422 177.584 0.080 0.000 1.069 128 A CA -0.429 51.648 52.037 0.066 0.000 0.763 128 A CB 0.328 19.382 19.000 0.091 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 0.972 32.695 31.700 0.037 0.000 1.190 130 N N 1.009 119.786 118.700 0.129 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 -0.312 38.231 38.487 0.093 0.000 1.142 130 N HN 0.241 nan 8.380 nan 0.000 0.455 131 P HA 0.037 nan 4.420 nan 0.000 0.261 131 P C -0.179 177.227 177.300 0.176 0.000 1.203 131 P CA -0.114 63.081 63.100 0.158 0.000 0.767 131 P CB -0.039 31.699 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 58.315 59.018 0.266 0.000 1.556 132 C CB 1.647 29.537 27.740 0.250 0.000 2.063 132 C HN 0.495 nan 8.230 nan 0.000 0.454 133 E N -0.705 119.702 120.200 0.344 0.000 2.331 133 E HA 0.616 4.966 4.350 -0.000 0.000 0.275 133 E C -1.705 175.151 176.600 0.427 0.000 0.895 133 E CA -0.166 56.418 56.400 0.306 0.000 0.753 133 E CB 2.315 32.102 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 -0.640 56.753 57.345 0.079 0.000 1.176 134 W CB 0.487 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 0.474 119.171 119.070 -0.622 0.000 2.496 166 H HA 0.852 5.408 4.556 -0.000 0.000 0.342 166 H C -0.170 174.785 175.328 -0.621 0.000 1.170 166 H CA -0.754 54.826 56.048 -0.780 0.000 1.274 166 H CB 1.175 30.111 29.762 -1.378 0.000 1.538 166 H HN 0.359 nan 8.280 nan 0.000 0.542 167 V N 2.062 121.830 119.914 -0.245 0.000 2.789 167 V HA 0.320 4.440 4.120 -0.000 0.000 0.311 167 V C -1.413 174.757 176.094 0.127 0.000 1.073 167 V CA -0.755 61.512 62.300 -0.054 0.000 0.921 167 V CB 1.987 33.736 31.823 -0.124 0.000 1.009 167 V HN 0.653 nan 8.190 nan 0.000 0.426 168 F N 4.051 124.070 119.950 0.115 0.000 2.716 168 F HA 0.823 5.350 4.527 -0.000 0.000 0.354 168 F C 0.146 175.992 175.800 0.077 0.000 1.168 168 F CA 0.077 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 -1.295 118.395 119.800 -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 -0.918 54.807 55.803 -0.130 0.000 0.832 170 Q CB 2.254 30.941 28.738 -0.085 0.000 1.373 170 Q HN 1.054 nan 8.270 nan 0.000 0.409 171 A N 4.111 126.905 122.820 -0.044 0.000 2.586 171 A HA 0.511 4.831 4.320 -0.000 0.000 0.320 171 A C -2.358 175.245 177.584 0.030 0.000 1.281 171 A CA -1.141 50.902 52.037 0.011 0.000 0.775 171 A CB 0.740 19.745 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 -0.040 177.300 177.300 0.067 0.000 1.199 172 P CA 0.420 63.549 63.100 0.048 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 0.375 4.925 4.550 -0.000 0.000 0.334 173 Y C 0.330 176.245 175.900 0.025 0.000 1.058 173 Y CA -0.559 57.547 58.100 0.010 0.000 1.244 173 Y CB 0.664 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 5.429 120.778 115.700 -0.585 0.000 2.420 174 S HA 0.670 5.140 4.470 -0.000 0.000 0.313 174 S C 0.118 174.471 174.600 -0.411 0.000 1.079 174 S CA -0.178 57.828 58.200 -0.322 0.000 1.104 174 S CB -0.294 62.776 63.200 -0.217 0.000 0.969 174 S HN 1.052 nan 8.310 nan 0.000 0.471 175 G N 3.478 112.334 108.800 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 44.493 45.100 0.278 0.000 1.036 175 G HN 0.701 nan 8.290 nan 0.000 0.513 176 I N 0.298 120.918 120.570 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 0.590 5.330 4.740 -0.000 0.000 0.243 177 N C -1.128 174.295 175.510 -0.146 0.000 1.347 177 N CA -0.676 51.967 53.050 -0.677 0.000 0.896 177 N CB 0.762 38.976 38.487 -0.454 0.000 1.501 177 N HN 0.035 nan 8.380 nan 0.000 0.504 178 I N 1.656 122.243 120.570 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 -0.333 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 2.859 117.481 114.554 0.112 0.000 2.819 179 T HA 0.581 4.931 4.350 -0.000 0.000 0.271 179 T C 1.158 175.834 174.700 -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 1.503 178.106 176.600 0.004 0.000 1.030 180 K CA 1.274 57.429 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 0.141 56.602 56.400 0.100 0.000 0.870 181 E CB 0.279 30.012 29.700 0.055 0.000 0.944 181 E HN 0.630 nan 8.360 nan 0.000 0.492 182 G N 1.773 110.737 108.800 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 -0.912 174.132 174.900 0.241 0.000 1.205 182 G CA -0.479 44.779 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 39.478 38.000 0.196 0.000 1.366 183 I HN 0.747 nan 8.210 nan 0.000 0.466 184 Q N 7.282 127.127 119.800 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 -0.097 55.730 55.803 0.042 0.000 0.890 184 Q CB 0.943 29.687 28.738 0.011 0.000 1.210 184 Q HN 0.824 nan 8.270 nan 0.000 0.410 185 I N 0.180 120.776 120.570 0.044 0.000 4.225 185 I HA 0.600 4.770 4.170 -0.000 0.000 0.327 185 I C 0.282 176.441 176.117 0.069 0.000 1.422 185 I CA -0.366 60.986 61.300 0.087 0.000 1.150 185 I CB 0.886 38.885 38.000 -0.002 0.000 1.192 185 I HN 0.567 nan 8.210 nan 0.000 0.440 194 Y N -0.114 120.182 120.300 -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 0.497 38.970 38.460 0.023 0.000 1.294 194 Y HN 1.425 nan 8.280 nan 0.000 0.525 195 A N 1.490 124.247 122.820 -0.105 0.000 2.371 195 A HA 0.411 4.731 4.320 -0.000 0.000 0.257 195 A C 0.040 177.468 177.584 -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 2.440 122.602 120.400 -0.397 0.000 2.374 196 D HA 0.318 4.958 4.640 -0.000 0.000 0.240 196 D C 1.513 177.564 176.300 -0.414 0.000 1.229 196 D CA 0.556 54.360 54.000 -0.326 0.000 0.895 196 D CB 0.853 41.500 40.800 -0.255 0.000 1.046 196 D HN 0.623 nan 8.370 nan 0.000 0.498 197 K N 2.375 122.645 120.400 -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 2.368 58.560 56.287 -0.157 0.000 0.929 197 K CB -1.669 30.896 32.500 0.108 0.000 0.720 197 K HN 0.715 nan 8.250 nan 0.000 0.453 198 T N -2.076 112.459 114.554 -0.032 0.000 2.849 198 T HA -0.061 4.289 4.350 -0.000 0.000 0.270 198 T C 1.612 176.391 174.700 0.132 0.000 1.066 198 T CA 1.606 63.750 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 0.074 175.760 175.800 -0.191 0.000 1.026 199 F CA -1.168 56.757 58.000 -0.125 0.000 1.106 199 F CB 0.275 39.224 39.000 -0.085 0.000 1.135 199 F HN 0.010 nan 8.300 nan 0.000 0.557 200 Q N 3.899 123.149 119.800 -0.917 0.000 2.256 200 Q HA 0.476 4.816 4.340 -0.000 0.000 0.257 200 Q C -2.637 172.813 176.000 -0.916 0.000 0.936 200 Q CA -2.238 53.045 55.803 -0.865 0.000 0.903 200 Q CB 1.823 29.967 28.738 -0.990 0.000 1.263 200 Q HN -0.002 nan 8.270 nan 0.000 0.440 201 P HA 0.076 nan 4.420 nan 0.000 0.278 201 P C -0.979 176.172 177.300 -0.249 0.000 1.258 201 P CA -0.458 62.342 63.100 -0.499 0.000 0.811 201 P CB 0.753 32.201 31.700 -0.421 0.000 1.063 202 E N 1.695 121.824 120.200 -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 -1.763 54.640 56.400 0.004 0.000 0.817 202 E CB 0.426 30.174 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 0.864 178.200 177.300 0.059 0.000 1.146 203 P CA 1.435 64.562 63.100 0.046 0.000 0.813 203 P CB 0.174 31.899 31.700 0.043 0.000 0.778 204 Q N -0.771 119.067 119.800 0.062 0.000 2.224 204 Q HA -0.018 4.322 4.340 -0.000 0.000 0.203 204 Q C 0.956 176.998 176.000 0.070 0.000 0.970 204 Q CA 0.635 56.477 55.803 0.065 0.000 0.865 204 Q CB -0.505 28.271 28.738 0.064 0.000 0.922 204 Q HN 0.275 nan 8.270 nan 0.000 0.445 205 I N 1.386 122.008 120.570 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 -0.245 61.119 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 3.427 112.261 108.800 0.057 0.000 2.827 206 G HA2 0.605 4.565 3.960 -0.000 0.000 0.296 206 G HA3 0.605 4.565 3.960 -0.000 0.000 0.296 206 G C -0.897 173.985 174.900 -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 -1.100 119.068 120.200 -0.054 0.000 2.343 207 E HA 0.595 4.945 4.350 -0.000 0.000 0.269 207 E C 1.304 177.863 176.600 -0.067 0.000 1.047 207 E CA 0.437 56.785 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 1.335 nan 8.360 nan 0.000 0.409 208 S N 0.396 116.048 115.700 -0.081 0.000 2.395 208 S HA 0.300 4.770 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 1.455 59.619 58.200 -0.060 0.000 0.965 208 S CB -0.368 62.803 63.200 -0.048 0.000 0.812 208 S HN 1.225 nan 8.310 nan 0.000 0.482 209 Q N 0.526 120.201 119.800 -0.210 0.000 2.471 209 Q HA 0.437 4.777 4.340 -0.000 0.000 0.223 209 Q C 0.730 176.567 176.000 -0.271 0.000 1.045 209 Q CA 0.250 55.813 55.803 -0.400 0.000 0.956 209 Q CB -0.570 27.626 28.738 -0.904 0.000 1.249 209 Q HN 1.011 nan 8.270 nan 0.000 0.549 210 W N -0.673 120.430 121.300 -0.329 0.000 3.058 210 W HA 0.229 4.889 4.660 -0.000 0.000 0.306 210 W C 0.136 176.612 176.519 -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 0.855 120.784 120.300 -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 -1.834 55.923 58.100 -0.573 0.000 1.316 211 Y CB -0.665 37.171 38.460 -1.040 0.000 1.404 211 Y HN -0.065 nan 8.280 nan 0.000 0.527 212 E N -0.780 119.522 120.200 0.171 0.000 2.217 212 E HA 0.471 4.821 4.350 -0.000 0.000 0.279 212 E C 0.450 177.149 176.600 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 1.848 63.988 62.100 0.067 0.000 1.036 213 T CB -0.141 68.731 68.868 0.006 0.000 0.994 213 T HN 1.981 nan 8.240 nan 0.000 0.489 214 E N -1.019 119.182 120.200 0.001 0.000 5.278 214 E HA 0.313 4.663 4.350 -0.000 0.000 0.173 214 E C 0.032 176.618 176.600 -0.024 0.000 1.365 214 E CA 0.479 56.872 56.400 -0.013 0.000 1.205 214 E CB -2.904 26.790 29.700 -0.011 0.000 1.015 214 E HN 2.026 nan 8.360 nan 0.000 0.350 215 I N 2.043 122.593 120.570 -0.033 0.000 2.337 215 I HA 0.570 4.740 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 0.101 61.377 61.300 -0.041 0.000 1.324 215 I CB 0.798 38.776 38.000 -0.037 0.000 1.409 215 I HN 0.670 nan 8.210 nan 0.000 0.494 216 N N 2.223 120.849 118.700 -0.124 0.000 2.432 216 N HA 0.023 4.763 4.740 -0.000 0.000 0.174 216 N C -0.184 175.005 175.510 -0.536 0.000 1.037 216 N CA 0.792 53.646 53.050 -0.328 0.000 0.892 216 N CB 0.348 38.598 38.487 -0.394 0.000 1.049 216 N HN 0.914 nan 8.380 nan 0.000 0.442 217 H N 0.262 119.360 119.070 0.046 0.000 2.697 217 H HA 0.556 5.112 4.556 -0.000 0.000 0.270 217 H C -0.524 174.863 175.328 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 30.807 29.762 0.089 0.000 1.405 217 H HN 0.102 nan 8.280 nan 0.000 0.502 218 A N 2.242 125.152 122.820 0.149 0.000 2.312 218 A HA 0.876 5.196 4.320 -0.000 0.000 0.328 218 A C -0.355 177.337 177.584 0.180 0.000 1.158 218 A CA -0.400 51.724 52.037 0.145 0.000 0.821 218 A CB 0.759 19.799 19.000 0.065 0.000 1.170 218 A HN 0.684 nan 8.150 nan 0.000 0.490 219 A N 0.682 123.639 122.820 0.228 0.000 2.435 219 A HA 0.933 5.253 4.320 -0.000 0.000 0.304 219 A C 0.038 177.724 177.584 0.169 0.000 1.064 219 A CA -0.004 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 -0.538 55.611 56.100 0.081 0.000 0.887 221 R CB 2.110 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 5.089 125.043 119.914 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 61.421 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 4.532 125.801 121.223 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 54.366 54.840 0.074 0.000 0.804 223 L CB 1.257 43.359 42.059 0.073 0.000 1.195 223 L HN 0.590 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 -0.412 55.920 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 0.148 120.609 120.400 0.102 0.000 2.585 225 K HA -0.099 4.221 4.320 -0.000 0.000 0.194 225 K C 0.683 177.338 176.600 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 -2.121 112.475 114.554 0.069 0.000 3.081 226 T HA 0.036 4.386 4.350 -0.000 0.000 0.250 226 T C 0.573 175.300 174.700 0.046 0.000 1.100 226 T CA -0.102 62.029 62.100 0.052 0.000 1.038 226 T CB 0.145 69.037 68.868 0.041 0.000 0.962 226 T HN 0.017 nan 8.240 nan 0.000 0.516 227 T N 4.960 119.545 114.554 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 70.149 68.868 0.037 0.000 0.926 227 T HN 0.122 nan 8.240 nan 0.000 0.459 228 P HA 0.025 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 0.097 63.214 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 2.812 122.424 119.600 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 55.784 55.300 0.013 0.000 1.134 229 M CB 0.423 33.011 32.600 -0.020 0.000 1.564 229 M HN 0.135 nan 8.290 nan 0.000 0.463 230 K N 2.943 123.355 120.400 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 1.666 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 1.004 178.373 177.300 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 32.343 31.700 0.093 0.000 0.876 232 C N 3.114 122.490 119.300 0.127 0.000 2.398 232 C HA -0.189 4.271 4.460 -0.000 0.000 0.276 232 C C 1.449 176.539 174.990 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 1.077 121.418 120.300 0.068 0.000 2.745 233 Y HA 0.380 4.930 4.550 -0.000 0.000 0.335 233 Y C 1.189 177.146 175.900 0.095 0.000 1.212 233 Y CA 1.152 59.298 58.100 0.076 0.000 1.535 233 Y CB -0.077 38.411 38.460 0.047 0.000 1.220 233 Y HN 0.633 nan 8.280 nan 0.000 0.531 234 G N 3.074 111.751 108.800 -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 0.146 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 0.030 115.771 115.700 0.067 0.000 2.528 235 S HA 0.587 5.057 4.470 -0.000 0.000 0.277 235 S C -0.499 174.087 174.600 -0.022 0.000 1.297 235 S CA 0.040 58.259 58.200 0.032 0.000 1.052 235 S CB 1.126 64.351 63.200 0.043 0.000 0.917 235 S HN 0.800 nan 8.310 nan 0.000 0.492 236 Y N 1.230 121.357 120.300 -0.288 0.000 2.544 236 Y HA 0.599 5.149 4.550 -0.000 0.000 0.342 236 Y C -1.247 174.502 175.900 -0.252 0.000 1.062 236 Y CA -0.801 57.024 58.100 -0.458 0.000 1.023 236 Y CB 1.275 39.050 38.460 -1.142 0.000 1.308 236 Y HN 0.676 nan 8.280 nan 0.000 0.457 237 A N 5.855 127.999 122.820 -1.127 0.000 2.466 237 A HA 0.459 4.779 4.320 -0.000 0.000 0.284 237 A C -1.449 175.591 177.584 -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 3.188 123.160 120.400 -0.713 0.000 2.524 238 K HA 0.289 4.609 4.320 -0.000 0.000 0.279 238 K C -2.392 174.096 176.600 -0.186 0.000 0.993 238 K CA -0.545 55.546 56.287 -0.327 0.000 1.030 238 K CB 0.125 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 0.011 177.289 177.300 -0.037 0.000 1.216 239 P CA -0.291 62.773 63.100 -0.060 0.000 0.776 239 P CB 1.095 32.779 31.700 -0.028 0.000 0.881 240 T N -1.899 112.638 114.554 -0.028 0.000 3.044 240 T HA 0.201 4.551 4.350 -0.000 0.000 0.260 240 T C 0.214 174.908 174.700 -0.011 0.000 1.019 240 T CA -0.275 61.816 62.100 -0.015 0.000 0.921 240 T CB -0.741 68.121 68.868 -0.010 0.000 1.053 240 T HN 0.595 nan 8.240 nan 0.000 0.533 241 N N -1.513 117.174 118.700 -0.021 0.000 2.484 241 N HA 0.492 5.232 4.740 -0.000 0.000 0.269 241 N C 0.586 176.054 175.510 -0.070 0.000 1.237 241 N CA -0.302 52.727 53.050 -0.035 0.000 0.838 241 N CB 0.694 39.168 38.487 -0.022 0.000 1.593 241 N HN -0.078 nan 8.380 nan 0.000 0.485 242 E N 0.175 120.324 120.200 -0.085 0.000 2.393 242 E HA -0.216 4.134 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 57.933 56.400 -0.106 0.000 0.856 242 E CB -0.864 28.778 29.700 -0.096 0.000 0.771 242 E HN 0.611 nan 8.360 nan 0.000 0.526 243 N N -0.974 117.565 118.700 -0.267 0.000 2.270 243 N HA 0.235 4.975 4.740 -0.000 0.000 0.198 243 N C 1.345 176.711 175.510 -0.241 0.000 1.117 243 N CA 0.778 53.552 53.050 -0.459 0.000 0.845 243 N CB 1.245 38.992 38.487 -1.234 0.000 0.980 243 N HN 0.579 nan 8.380 nan 0.000 0.486 244 G N 0.101 108.837 108.800 -0.107 0.000 2.217 244 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.246 244 G HA3 -0.233 3.727 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 -0.102 44.979 45.100 -0.032 0.000 0.627 244 G HN 0.553 nan 8.290 nan 0.000 0.522 245 G N -0.184 108.636 108.800 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 0.568 175.470 174.900 0.004 0.000 1.295 245 G CA 0.561 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 1.205 120.998 119.800 -0.012 0.000 2.179 246 Q HA 0.227 4.567 4.340 -0.000 0.000 0.213 246 Q C 1.289 177.271 176.000 -0.031 0.000 0.833 246 Q CA -0.157 55.617 55.803 -0.048 0.000 0.990 246 Q CB 1.166 29.845 28.738 -0.098 0.000 1.132 246 Q HN 0.607 nan 8.270 nan 0.000 0.493 247 G N 1.156 109.955 108.800 -0.003 0.000 2.340 247 G HA2 0.217 4.177 3.960 -0.000 0.000 0.245 247 G HA3 0.217 4.177 3.960 -0.000 0.000 0.245 247 G C -0.185 174.717 174.900 0.003 0.000 1.294 247 G CA -0.395 44.710 45.100 0.007 0.000 0.896 247 G HN 0.199 nan 8.290 nan 0.000 0.522 248 I N 1.174 121.745 120.570 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 38.666 38.000 0.003 0.000 1.367 248 I HN 0.214 nan 8.210 nan 0.000 0.577 249 L N 6.834 128.061 121.223 0.008 0.000 2.295 249 L HA 0.475 4.815 4.340 -0.000 0.000 0.285 249 L C -0.125 176.751 176.870 0.011 0.000 1.035 249 L CA -0.636 54.210 54.840 0.011 0.000 0.806 249 L CB 1.420 43.485 42.059 0.010 0.000 1.214 249 L HN 0.320 nan 8.230 nan 0.000 0.426 259 S N 0.166 115.881 115.700 0.025 0.000 2.549 259 S HA 0.225 4.695 4.470 -0.000 0.000 0.283 259 S C 0.693 175.310 174.600 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 64.070 63.200 0.037 0.000 0.882 259 S HN 0.486 nan 8.310 nan 0.000 0.498 260 Q N 2.932 122.749 119.800 0.030 0.000 2.172 260 Q HA 0.189 4.529 4.340 -0.000 0.000 0.217 260 Q C -0.304 175.717 176.000 0.035 0.000 0.832 260 Q CA -0.214 55.606 55.803 0.029 0.000 1.010 260 Q CB 0.725 29.477 28.738 0.023 0.000 1.133 260 Q HN 0.589 nan 8.270 nan 0.000 0.489 261 V N 1.753 121.695 119.914 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 0.614 32.498 31.823 0.102 0.000 0.940 261 V HN 0.390 nan 8.190 nan 0.000 0.489 262 E N 4.942 125.156 120.200 0.023 0.000 2.281 262 E HA 0.636 4.986 4.350 -0.000 0.000 0.266 262 E C -0.602 175.932 176.600 -0.110 0.000 0.893 262 E CA -0.835 55.553 56.400 -0.020 0.000 0.798 262 E CB 1.486 31.181 29.700 -0.008 0.000 1.245 262 E HN 0.747 nan 8.360 nan 0.000 0.410 263 M N 0.956 120.428 119.600 -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 -0.096 54.902 55.300 -0.504 0.000 1.162 263 M CB 0.385 32.478 32.600 -0.845 0.000 1.497 263 M HN 0.498 nan 8.290 nan 0.000 0.456 264 Q N 2.184 121.683 119.800 -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 -0.393 55.192 55.803 -0.365 0.000 0.758 264 Q CB 1.823 30.497 28.738 -0.107 0.000 1.247 264 Q HN 0.528 nan 8.270 nan 0.000 0.455 265 F N 1.900 121.568 119.950 -0.470 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 -0.467 57.313 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 -0.072 119.945 119.950 0.111 0.000 2.613 266 F HA 0.646 5.173 4.527 -0.000 0.000 0.310 266 F C -0.129 175.697 175.800 0.043 0.000 1.085 266 F CA -0.718 57.308 58.000 0.044 0.000 0.945 266 F CB 2.199 41.194 39.000 -0.008 0.000 1.298 266 F HN 0.306 nan 8.300 nan 0.000 0.455 267 S N -0.559 115.269 115.700 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 0.116 0.000 0.837 267 S CB 1.859 65.098 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 0.468 4.818 4.350 -0.000 0.000 0.217 268 T C 0.920 175.638 174.700 0.029 0.000 0.770 268 T CA 0.884 63.004 62.100 0.034 0.000 2.187 268 T CB -1.184 67.694 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 1.535 56.370 54.840 -0.008 0.000 0.911 279 L CB -1.399 40.648 42.059 -0.020 0.000 1.341 279 L HN 2.407 nan 8.230 nan 0.000 0.487 280 T N 3.832 118.392 114.554 0.010 0.000 3.548 280 T HA 0.628 4.978 4.350 -0.000 0.000 0.329 280 T C -2.084 172.649 174.700 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 0.854 178.240 177.300 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 1.981 122.446 120.400 0.108 0.000 2.323 282 K HA 0.252 4.572 4.320 -0.000 0.000 0.197 282 K C 0.764 177.411 176.600 0.077 0.000 1.043 282 K CA 0.776 57.085 56.287 0.037 0.000 0.997 282 K CB 0.182 32.681 32.500 -0.001 0.000 0.807 282 K HN 0.398 nan 8.250 nan 0.000 0.497 283 V N -0.062 119.937 119.914 0.141 0.000 2.925 283 V HA 0.658 4.778 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 5.746 125.692 119.914 0.054 0.000 2.686 284 V HA 0.717 4.837 4.120 -0.000 0.000 0.306 284 V C -1.604 174.389 176.094 -0.167 0.000 1.065 284 V CA -0.320 61.856 62.300 -0.207 0.000 0.894 284 V CB 1.887 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 6.151 127.239 121.223 -0.225 0.000 2.346 285 L HA 0.585 4.925 4.340 -0.000 0.000 0.274 285 L C -1.384 175.315 176.870 -0.284 0.000 1.007 285 L CA -0.751 54.026 54.840 -0.105 0.000 0.818 285 L CB 2.272 44.339 42.059 0.013 0.000 1.284 285 L HN 0.657 nan 8.230 nan 0.000 0.424 286 Y N 1.011 121.261 120.300 -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 -0.648 57.404 58.100 -0.080 0.000 1.314 286 Y CB 0.787 39.192 38.460 -0.092 0.000 1.164 286 Y HN 0.501 nan 8.280 nan 0.000 0.509 287 S N 3.156 118.876 115.700 0.033 0.000 2.548 287 S HA 0.536 5.006 4.470 -0.000 0.000 0.277 287 S C -0.292 174.341 174.600 0.054 0.000 1.315 287 S CA -0.563 57.665 58.200 0.046 0.000 1.050 287 S CB 0.928 64.147 63.200 0.032 0.000 0.918 287 S HN 0.745 nan 8.310 nan 0.000 0.497 288 E N 1.131 121.364 120.200 0.054 0.000 2.423 288 E HA 0.408 4.758 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 -1.008 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 1.225 121.642 120.400 0.028 0.000 2.256 289 D HA 0.428 5.068 4.640 -0.000 0.000 0.240 289 D C -0.457 175.847 176.300 0.006 0.000 1.062 289 D CA -0.291 53.722 54.000 0.021 0.000 0.832 289 D CB 1.984 42.797 40.800 0.021 0.000 1.135 289 D HN 0.454 nan 8.370 nan 0.000 0.484 290 V N -0.384 119.528 119.914 -0.004 0.000 3.046 290 V HA 0.501 4.621 4.120 -0.000 0.000 0.316 290 V C 0.003 176.076 176.094 -0.035 0.000 1.104 290 V CA -0.886 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 0.032 176.292 176.300 -0.068 0.000 1.133 291 D CA -0.066 53.905 54.000 -0.048 0.000 1.017 291 D CB 0.031 40.806 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 4.140 4.170 -0.000 0.000 0.284 292 I C 0.251 176.361 176.117 -0.011 0.000 1.146 292 I CA 0.546 61.819 61.300 -0.045 0.000 1.425 292 I CB 0.304 38.291 38.000 -0.022 0.000 1.383 292 I HN 0.225 nan 8.210 nan 0.000 0.562 293 E N 3.708 123.909 120.200 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 0.038 0.000 0.950 293 E CA -0.906 55.521 56.400 0.044 0.000 0.796 293 E CB 1.683 31.441 29.700 0.097 0.000 1.330 293 E HN 0.461 nan 8.360 nan 0.000 0.455 294 T N -2.235 112.344 114.554 0.043 0.000 3.631 294 T HA 0.247 4.597 4.350 -0.000 0.000 0.256 294 T C -2.313 172.423 174.700 0.061 0.000 1.187 294 T CA -1.248 60.883 62.100 0.051 0.000 1.667 294 T CB 0.482 69.386 68.868 0.060 0.000 0.804 294 T HN 0.187 nan 8.240 nan 0.000 0.639 295 P HA 0.035 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 1.212 64.339 63.100 0.045 0.000 0.779 295 P CB 0.050 31.765 31.700 0.024 0.000 0.780 296 D N -2.263 118.193 120.400 0.093 0.000 2.594 296 D HA 0.062 4.702 4.640 -0.000 0.000 0.256 296 D C 0.021 176.372 176.300 0.086 0.000 1.393 296 D CA -0.264 53.769 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 -2.736 111.893 114.554 0.124 0.000 2.865 297 T HA 0.644 4.994 4.350 -0.000 0.000 0.294 297 T C -0.627 174.206 174.700 0.220 0.000 1.119 297 T CA -0.831 61.372 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 -0.605 118.495 119.070 0.051 0.000 2.977 298 H HA 0.531 5.087 4.556 -0.000 0.000 0.350 298 H C -1.183 174.162 175.328 0.029 0.000 1.238 298 H CA -1.458 54.603 56.048 0.022 0.000 1.124 298 H CB 0.798 30.551 29.762 -0.016 0.000 1.866 298 H HN 0.580 nan 8.280 nan 0.000 0.550 299 I N 2.775 123.348 120.570 0.004 0.000 2.379 299 I HA -0.034 4.136 4.170 -0.000 0.000 0.290 299 I C 1.570 177.632 176.117 -0.091 0.000 1.063 299 I CA 0.175 61.443 61.300 -0.052 0.000 1.351 299 I CB 0.997 38.985 38.000 -0.020 0.000 1.410 299 I HN 0.751 nan 8.210 nan 0.000 0.505 300 S N 6.035 121.662 115.700 -0.122 0.000 2.528 300 S HA -0.038 4.432 4.470 -0.000 0.000 0.219 300 S C 0.216 174.864 174.600 0.081 0.000 0.985 300 S CA 0.246 58.400 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 0.618 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 -1.170 174.703 175.900 -0.046 0.000 1.135 301 Y CA -1.200 56.870 58.100 -0.050 0.000 1.213 301 Y CB 0.980 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 8.619 127.880 119.600 -0.566 0.000 2.084 302 M HA 0.352 4.832 4.480 -0.000 0.000 0.351 302 M C -1.949 173.875 176.300 -0.794 0.000 1.240 302 M CA -2.809 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 0.435 32.006 31.700 -0.215 0.000 0.885 304 T N -2.110 112.320 114.554 -0.208 0.000 3.097 304 T HA 0.423 4.773 4.350 -0.000 0.000 0.332 304 T C 0.502 175.137 174.700 -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 69.898 68.868 -0.102 0.000 1.209 304 T HN -0.178 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 0.990 177.079 176.117 -0.047 0.000 1.287 305 I CA -0.080 61.183 61.300 -0.061 0.000 1.192 305 I CB -2.031 35.941 38.000 -0.047 0.000 1.043 305 I HN 0.866 nan 8.210 nan 0.000 0.442 306 K N 0.870 121.239 120.400 -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 0.128 56.391 56.287 -0.039 0.000 0.875 306 K CB -0.426 32.051 32.500 -0.038 0.000 1.106 306 K HN 1.475 nan 8.250 nan 0.000 0.450 307 E N 0.257 120.443 120.200 -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 -0.247 29.449 29.700 -0.007 0.000 0.974 307 E HN 2.400 nan 8.360 nan 0.000 0.465 308 G N 0.521 109.319 108.800 -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 -0.360 174.541 174.900 0.002 0.000 1.282 308 G CA -0.222 44.886 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 0.565 176.070 175.510 -0.009 0.000 1.202 309 N CA 0.674 53.734 53.050 0.017 0.000 0.926 309 N CB 1.510 40.061 38.487 0.106 0.000 1.078 309 N HN 1.336 nan 8.380 nan 0.000 0.454 310 S N -0.643 114.919 115.700 -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 -0.934 0.000 1.157 310 S CA -0.315 57.635 58.200 -0.418 0.000 0.824 310 S CB 1.016 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 0.390 120.229 120.500 -1.101 0.000 2.139 311 R HA 0.040 4.380 4.340 -0.000 0.000 0.243 311 R C 2.479 178.431 176.300 -0.579 0.000 1.145 311 R CA 3.253 58.730 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 1.099 121.073 120.200 -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 1.447 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 -0.217 120.844 121.223 -0.270 0.000 2.450 313 L HA -0.065 4.275 4.340 -0.000 0.000 0.224 313 L C 2.782 179.523 176.870 -0.214 0.000 1.149 313 L CA 0.717 55.429 54.840 -0.214 0.000 0.816 313 L CB -0.295 41.654 42.059 -0.184 0.000 0.932 313 L HN 0.381 nan 8.230 nan 0.000 0.449 314 M N -0.823 118.590 119.600 -0.311 0.000 2.460 314 M HA -0.073 4.407 4.480 -0.000 0.000 0.263 314 M C 1.816 178.006 176.300 -0.184 0.000 1.071 314 M CA 1.315 56.434 55.300 -0.302 0.000 1.096 314 M CB -0.532 31.782 32.600 -0.476 0.000 1.408 314 M HN 0.336 nan 8.290 nan 0.000 0.463 315 G N 0.437 109.164 108.800 -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 4.777 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 55.888 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 0.934 120.802 119.800 0.112 0.000 2.342 317 Q HA 0.476 4.816 4.340 -0.000 0.000 0.267 317 Q C -1.240 174.759 176.000 -0.001 0.000 1.038 317 Q CA -0.647 55.183 55.803 0.045 0.000 0.832 317 Q CB 2.496 31.252 28.738 0.030 0.000 1.323 317 Q HN 0.717 nan 8.270 nan 0.000 0.448 318 S N 2.334 118.027 115.700 -0.012 0.000 2.549 318 S HA 0.785 5.255 4.470 -0.000 0.000 0.297 318 S C -0.992 173.573 174.600 -0.059 0.000 1.115 318 S CA -0.627 57.583 58.200 0.015 0.000 1.059 318 S CB 0.822 64.137 63.200 0.192 0.000 1.046 318 S HN 0.664 nan 8.310 nan 0.000 0.506 319 M N 5.015 124.552 119.600 -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 0.409 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 1.723 120.511 118.700 0.146 0.000 2.503 321 N HA 0.156 4.896 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 -0.263 52.842 53.050 0.092 0.000 0.959 321 N CB 0.216 38.748 38.487 0.074 0.000 1.142 321 N HN 0.256 nan 8.380 nan 0.000 0.455 322 R N 1.581 122.008 120.500 -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 -1.001 54.981 56.100 -0.198 0.000 1.065 322 R CB -0.190 29.927 30.300 -0.305 0.000 0.964 322 R HN 0.400 nan 8.270 nan 0.000 0.428 323 P HA 0.001 nan 4.420 nan 0.000 0.268 323 P C -0.850 176.282 177.300 -0.279 0.000 1.205 323 P CA -0.001 62.872 63.100 -0.378 0.000 0.771 323 P CB 0.532 32.012 31.700 -0.366 0.000 0.858 324 N N 2.034 120.469 118.700 -0.443 0.000 2.621 324 N HA 0.213 4.953 4.740 -0.000 0.000 0.271 324 N C -1.699 173.643 175.510 -0.279 0.000 1.181 324 N CA -0.457 52.447 53.050 -0.242 0.000 0.805 324 N CB 0.151 38.567 38.487 -0.118 0.000 1.351 324 N HN 0.133 nan 8.380 nan 0.000 0.539 325 Y N 2.609 122.944 120.300 0.058 0.000 2.319 325 Y HA 0.465 5.015 4.550 -0.000 0.000 0.328 325 Y C 0.608 176.619 175.900 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 0.287 nan 8.280 nan 0.000 0.508 326 I N 2.815 123.632 120.570 0.411 0.000 2.534 326 I HA 0.771 4.941 4.170 -0.000 0.000 0.288 326 I C -0.488 175.585 176.117 -0.073 0.000 1.077 326 I CA -0.694 60.660 61.300 0.090 0.000 1.051 326 I CB 1.770 39.756 38.000 -0.023 0.000 1.234 326 I HN 0.725 nan 8.210 nan 0.000 0.425 327 A N 4.643 127.396 122.820 -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 0.664 19.642 19.000 -0.036 0.000 1.302 327 A HN 0.402 nan 8.150 nan 0.000 0.446 328 F N 1.226 121.152 119.950 -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 0.583 58.590 58.000 0.013 0.000 1.262 328 F CB 0.620 39.716 39.000 0.159 0.000 1.196 328 F HN 0.531 nan 8.300 nan 0.000 0.583 329 R N 0.153 120.779 120.500 0.211 0.000 2.583 329 R HA 0.149 4.489 4.340 -0.000 0.000 0.268 329 R C -0.809 175.461 176.300 -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 30.561 30.300 0.108 0.000 1.128 329 R HN 0.496 nan 8.270 nan 0.000 0.568 330 D N 1.289 121.664 120.400 -0.043 0.000 2.472 330 D HA -0.079 4.561 4.640 -0.000 0.000 0.248 330 D C -0.197 176.072 176.300 -0.051 0.000 1.174 330 D CA 0.688 54.644 54.000 -0.073 0.000 0.883 330 D CB 0.169 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 3.556 122.187 118.700 -0.114 0.000 2.741 331 N HA -0.266 4.474 4.740 -0.000 0.000 0.251 331 N C -0.053 175.504 175.510 0.079 0.000 1.112 331 N CA 0.878 53.932 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 -1.827 118.184 119.950 0.102 0.000 3.093 332 F HA -0.252 4.275 4.527 -0.000 0.000 0.287 332 F C 0.987 176.852 175.800 0.109 0.000 0.882 332 F CA 0.202 58.255 58.000 0.088 0.000 1.063 332 F CB -2.082 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 0.392 121.095 120.570 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 1.604 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 4.317 113.221 108.800 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 0.901 175.850 174.900 0.082 0.000 1.033 334 G CA 0.404 45.572 45.100 0.113 0.000 0.620 334 G HN 0.572 nan 8.290 nan 0.000 0.517 335 L N 0.186 121.511 121.223 0.169 0.000 1.989 335 L HA 0.126 4.466 4.340 -0.000 0.000 0.211 335 L C 1.911 178.823 176.870 0.071 0.000 1.071 335 L CA 1.652 56.603 54.840 0.186 0.000 0.749 335 L CB -0.217 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 -2.066 117.498 119.600 -0.059 0.000 2.367 336 M HA 0.210 4.690 4.480 -0.000 0.000 0.339 336 M C -1.065 175.035 176.300 -0.334 0.000 1.177 336 M CA -0.376 54.741 55.300 -0.306 0.000 1.068 336 M CB 1.360 33.648 32.600 -0.520 0.000 1.602 336 M HN -0.176 nan 8.290 nan 0.000 0.457 337 Y N 1.308 121.442 120.300 -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 -0.188 0.000 1.265 337 Y CB 0.583 38.933 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 0.211 4.761 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 -2.557 55.679 58.100 0.226 0.000 1.029 338 Y CB 1.431 40.052 38.460 0.268 0.000 1.308 338 Y HN 0.683 nan 8.280 nan 0.000 0.461 339 N N -0.395 118.500 118.700 0.324 0.000 2.716 339 N HA -0.172 4.568 4.740 -0.000 0.000 0.250 339 N C -0.692 174.907 175.510 0.148 0.000 1.033 339 N CA 0.980 54.164 53.050 0.224 0.000 0.727 339 N CB -1.230 37.416 38.487 0.264 0.000 0.950 339 N HN 0.812 nan 8.380 nan 0.000 0.541 340 S N -0.958 114.796 115.700 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 2.533 117.059 114.554 -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 2.036 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 0.932 175.690 174.900 -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 0.259 118.760 118.700 -0.332 0.000 2.644 343 N HA 0.198 4.938 4.740 -0.000 0.000 0.313 343 N C -0.613 174.603 175.510 -0.490 0.000 1.863 343 N CA -0.203 52.539 53.050 -0.513 0.000 0.918 343 N CB 0.979 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 1.180 120.530 119.600 -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 -0.115 54.891 55.300 -0.490 0.000 1.115 344 M CB 0.637 33.033 32.600 -0.340 0.000 1.664 344 M HN 0.226 nan 8.290 nan 0.000 0.459 345 G N 3.319 111.400 108.800 -1.199 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 0.655 nan 8.290 nan 0.000 0.572 346 V N 0.558 120.285 119.914 -0.311 0.000 2.733 346 V HA 0.474 4.594 4.120 -0.000 0.000 0.306 346 V C -0.940 175.352 176.094 0.330 0.000 1.084 346 V CA -0.574 61.736 62.300 0.017 0.000 0.905 346 V CB 1.763 33.579 31.823 -0.012 0.000 1.010 346 V HN 0.685 nan 8.190 nan 0.000 0.424 347 L N 4.730 126.127 121.223 0.290 0.000 2.518 347 L HA 0.938 5.278 4.340 -0.000 0.000 0.262 347 L C -0.351 176.651 176.870 0.220 0.000 0.982 347 L CA 0.056 55.084 54.840 0.313 0.000 0.873 347 L CB 1.175 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 2.812 125.776 122.820 0.240 0.000 2.515 348 A HA 0.834 5.154 4.320 -0.000 0.000 0.298 348 A C -0.182 177.559 177.584 0.261 0.000 1.059 348 A CA -0.207 51.962 52.037 0.220 0.000 0.698 348 A CB 1.309 20.396 19.000 0.145 0.000 1.289 348 A HN 0.815 nan 8.150 nan 0.000 0.404 349 G N 0.063 109.005 108.800 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 0.390 175.295 174.900 0.009 0.000 1.270 349 G CA -0.174 44.970 45.100 0.073 0.000 0.876 349 G HN 0.824 nan 8.290 nan 0.000 0.521 350 Q N 1.741 121.505 119.800 -0.059 0.000 2.234 350 Q HA -0.161 4.179 4.340 -0.000 0.000 0.206 350 Q C 2.594 178.578 176.000 -0.026 0.000 0.980 350 Q CA 1.482 57.269 55.803 -0.027 0.000 0.869 350 Q CB -0.015 28.698 28.738 -0.042 0.000 0.912 350 Q HN 0.673 nan 8.270 nan 0.000 0.436 351 A N -0.299 122.491 122.820 -0.049 0.000 2.218 351 A HA 0.133 4.453 4.320 -0.000 0.000 0.209 351 A C 2.038 179.623 177.584 0.003 0.000 1.168 351 A CA 1.171 53.190 52.037 -0.030 0.000 0.804 351 A CB -0.130 18.842 19.000 -0.048 0.000 0.834 351 A HN 0.387 nan 8.150 nan 0.000 0.482 352 S N -2.792 112.923 115.700 0.024 0.000 2.564 352 S HA 0.377 4.847 4.470 -0.000 0.000 0.231 352 S C 1.481 176.111 174.600 0.050 0.000 1.067 352 S CA 1.692 59.922 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 -0.702 119.127 119.800 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 57.246 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 0.912 nan 8.270 nan 0.000 0.683 354 L N 1.734 122.999 121.223 0.069 0.000 2.292 354 L HA 0.627 4.967 4.340 -0.000 0.000 0.284 354 L C 0.040 176.966 176.870 0.093 0.000 1.065 354 L CA -0.562 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 0.720 176.309 175.510 0.130 0.000 1.103 355 N CA 0.475 53.577 53.050 0.087 0.000 0.954 355 N CB 1.414 39.921 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 0.027 4.347 4.320 -0.000 0.000 0.219 356 A C 0.618 178.394 177.584 0.320 0.000 1.158 356 A CA 0.533 52.705 52.037 0.225 0.000 0.661 356 A CB -0.021 19.086 19.000 0.179 0.000 0.801 356 A HN 0.451 nan 8.150 nan 0.000 0.452 357 V N 0.838 120.882 119.914 0.215 0.000 2.461 357 V HA 0.367 4.487 4.120 -0.000 0.000 0.275 357 V C -0.539 175.543 176.094 -0.020 0.000 1.047 357 V CA -0.107 62.286 62.300 0.155 0.000 0.955 357 V CB 1.263 33.083 31.823 -0.005 0.000 0.988 357 V HN 0.097 nan 8.190 nan 0.000 0.471 358 V N 4.442 124.272 119.914 -0.140 0.000 2.498 358 V HA 0.411 4.531 4.120 -0.000 0.000 0.283 358 V C -0.573 175.353 176.094 -0.280 0.000 1.015 358 V CA -0.577 61.504 62.300 -0.365 0.000 0.867 358 V CB 1.594 32.996 31.823 -0.701 0.000 1.025 358 V HN 0.836 nan 8.190 nan 0.000 0.441 359 D N 3.156 123.450 120.400 -0.177 0.000 2.384 359 D HA 0.795 5.435 4.640 -0.000 0.000 0.250 359 D C -0.816 175.493 176.300 0.015 0.000 1.029 359 D CA -0.255 53.728 54.000 -0.027 0.000 0.990 359 D CB 2.225 42.959 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 1.317 178.256 176.870 0.115 0.000 0.998 360 L CA -0.729 54.168 54.840 0.095 0.000 0.817 360 L CB 2.163 44.292 42.059 0.117 0.000 1.338 360 L HN 0.265 nan 8.230 nan 0.000 0.414 361 Q N 0.054 119.904 119.800 0.084 0.000 2.297 361 Q HA -0.135 4.205 4.340 -0.000 0.000 0.204 361 Q C 0.468 176.536 176.000 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 0.371 120.839 120.400 0.114 0.000 2.317 362 D HA -0.030 4.610 4.640 -0.000 0.000 0.211 362 D C 0.406 176.801 176.300 0.158 0.000 0.966 362 D CA 0.395 54.470 54.000 0.125 0.000 0.876 362 D CB 0.247 41.110 40.800 0.105 0.000 0.927 362 D HN 0.020 nan 8.370 nan 0.000 0.519 363 R N 0.315 120.923 120.500 0.181 0.000 2.500 363 R HA 0.257 4.597 4.340 -0.000 0.000 0.277 363 R C -0.565 175.855 176.300 0.200 0.000 1.026 363 R CA -0.483 55.733 56.100 0.192 0.000 1.058 363 R CB 0.632 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 1.309 120.094 118.700 0.142 0.000 2.804 364 N HA 0.114 4.854 4.740 -0.000 0.000 0.251 364 N C -0.306 175.236 175.510 0.052 0.000 1.250 364 N CA -0.151 52.947 53.050 0.081 0.000 0.820 364 N CB 1.295 39.745 38.487 -0.062 0.000 1.156 364 N HN 0.561 nan 8.380 nan 0.000 0.512 365 T N 0.870 115.476 114.554 0.086 0.000 2.674 365 T HA -0.107 4.243 4.350 -0.000 0.000 0.265 365 T C 1.370 176.029 174.700 -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 2.275 178.892 176.600 0.027 0.000 0.997 366 E CA 0.922 57.341 56.400 0.031 0.000 0.801 366 E CB -0.574 29.187 29.700 0.102 0.000 0.746 366 E HN 0.295 nan 8.360 nan 0.000 0.450 367 L N 1.119 122.323 121.223 -0.032 0.000 2.046 367 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 367 L C 2.528 179.378 176.870 -0.033 0.000 1.077 367 L CA 1.774 56.573 54.840 -0.068 0.000 0.747 367 L CB -0.755 41.243 42.059 -0.103 0.000 0.896 367 L HN -0.004 nan 8.230 nan 0.000 0.432 368 S N -1.742 113.964 115.700 0.011 0.000 2.374 368 S HA -0.309 4.161 4.470 -0.000 0.000 0.227 368 S C 2.094 176.725 174.600 0.052 0.000 1.037 368 S CA 1.664 59.901 58.200 0.061 0.000 1.024 368 S CB -0.607 62.627 63.200 0.058 0.000 0.861 368 S HN 0.636 nan 8.310 nan 0.000 0.456 369 Y N 1.675 121.921 120.300 -0.089 0.000 2.314 369 Y HA -0.015 4.535 4.550 -0.000 0.000 0.293 369 Y C 2.553 178.379 175.900 -0.125 0.000 1.129 369 Y CA 1.641 59.672 58.100 -0.115 0.000 1.201 369 Y CB -0.291 38.101 38.460 -0.113 0.000 0.999 369 Y HN 0.277 nan 8.280 nan 0.000 0.541 370 Q N 0.082 119.853 119.800 -0.049 0.000 2.050 370 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 370 Q C 2.367 178.250 176.000 -0.196 0.000 0.980 370 Q CA 1.705 57.434 55.803 -0.123 0.000 0.840 370 Q CB -0.517 28.117 28.738 -0.174 0.000 0.898 370 Q HN 0.529 nan 8.270 nan 0.000 0.424 371 L N 0.197 121.283 121.223 -0.229 0.000 2.156 371 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 371 L C 2.414 179.006 176.870 -0.462 0.000 1.095 371 L CA 0.353 55.073 54.840 -0.200 0.000 0.770 371 L CB -0.454 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 -0.095 120.723 121.223 -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 1.636 55.891 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 -0.424 120.514 121.223 -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 1.954 56.602 54.840 -0.320 0.000 0.748 373 L CB -0.816 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 -0.279 120.073 120.400 -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 1.523 55.531 54.000 0.014 0.000 0.839 374 D CB 0.134 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 -0.135 115.507 115.700 -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 0.873 59.041 58.200 -0.053 0.000 0.957 375 S CB -0.710 62.443 63.200 -0.078 0.000 0.784 375 S HN 0.577 nan 8.310 nan 0.000 0.499 376 I N -2.069 118.443 120.570 -0.097 0.000 3.956 376 I HA 0.588 4.758 4.170 -0.000 0.000 0.333 376 I C 0.693 176.784 176.117 -0.043 0.000 1.302 376 I CA -0.109 61.153 61.300 -0.063 0.000 1.122 376 I CB -0.040 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 44.690 45.100 -0.027 0.000 0.825 377 G HN 0.051 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 1.454 177.738 176.300 -0.027 0.000 1.131 378 D CA -0.689 53.292 54.000 -0.032 0.000 0.916 378 D CB 0.982 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 1.140 121.621 120.500 -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 1.033 57.124 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 0.906 175.518 174.700 -0.148 0.000 1.093 380 T CA 0.143 62.198 62.100 -0.075 0.000 1.129 380 T CB 0.177 68.977 68.868 -0.114 0.000 0.899 380 T HN -0.029 nan 8.240 nan 0.000 0.491 381 R N 1.125 121.573 120.500 -0.086 0.000 2.490 381 R HA 0.354 4.694 4.340 -0.000 0.000 0.278 381 R C -0.871 175.491 176.300 0.104 0.000 1.069 381 R CA -0.433 55.596 56.100 -0.117 0.000 1.080 381 R CB 0.385 30.639 30.300 -0.077 0.000 1.030 381 R HN 0.301 nan 8.270 nan 0.000 0.491 382 Y N 1.514 121.742 120.300 -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 -0.535 0.000 1.215 382 Y HN 0.357 nan 8.280 nan 0.000 0.466 383 F N 2.236 122.269 119.950 0.139 0.000 2.902 383 F HA 0.230 4.757 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 -1.607 56.447 58.000 0.089 0.000 1.109 383 F CB 0.992 40.044 39.000 0.086 0.000 1.418 383 F HN 0.479 nan 8.300 nan 0.000 0.527 384 S N 5.001 120.810 115.700 0.181 0.000 2.380 384 S HA -0.299 4.171 4.470 -0.000 0.000 0.229 384 S C 2.140 176.504 174.600 -0.393 0.000 1.043 384 S CA 1.663 59.846 58.200 -0.027 0.000 1.038 384 S CB -0.560 62.679 63.200 0.066 0.000 0.872 384 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 -0.817 0.000 1.073 385 M CA 2.225 56.833 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 -0.675 120.310 121.300 -0.524 0.000 3.330 386 W HA 0.246 4.906 4.660 -0.000 0.000 0.348 386 W C 0.473 176.775 176.519 -0.362 0.000 1.205 386 W CA -0.614 56.624 57.345 -0.178 0.000 1.841 386 W CB -0.179 29.219 29.460 -0.103 0.000 1.084 386 W HN 0.374 nan 8.180 nan 0.000 0.665 387 N N 1.259 119.800 118.700 -0.265 0.000 2.747 387 N HA -0.258 4.482 4.740 -0.000 0.000 0.249 387 N C 0.020 175.404 175.510 -0.210 0.000 1.107 387 N CA 0.696 53.493 53.050 -0.422 0.000 0.707 387 N CB -1.127 36.629 38.487 -1.218 0.000 1.054 387 N HN 0.340 nan 8.380 nan 0.000 0.555 388 Q N 0.226 120.010 119.800 -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 0.367 56.218 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 3.697 126.433 122.820 -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 19.521 19.000 -0.806 0.000 1.267 389 A HN 0.484 nan 8.150 nan 0.000 0.421 390 V N 2.570 122.440 119.914 -0.073 0.000 2.814 390 V HA -0.003 4.117 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 0.490 62.784 62.300 -0.009 0.000 1.212 390 V CB 0.369 32.209 31.823 0.028 0.000 0.912 390 V HN 0.790 nan 8.190 nan 0.000 0.497 391 D N 4.838 125.233 120.400 -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 0.428 54.461 54.000 0.055 0.000 0.879 391 D CB 1.320 42.096 40.800 -0.040 0.000 1.164 391 D HN 0.813 nan 8.370 nan 0.000 0.462 392 S N 1.261 117.121 115.700 0.267 0.000 2.794 392 S HA 0.757 5.227 4.470 -0.000 0.000 0.299 392 S C -1.113 173.556 174.600 0.116 0.000 1.179 392 S CA -0.916 57.396 58.200 0.187 0.000 0.838 392 S CB 1.761 64.957 63.200 -0.007 0.000 1.206 392 S HN 0.509 nan 8.310 nan 0.000 0.523 393 Y N -1.250 119.016 120.300 -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 -2.029 52.000 54.000 0.049 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 0.564 177.919 177.300 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 -1.325 119.138 120.400 0.106 0.000 2.348 396 D HA -0.035 4.605 4.640 -0.000 0.000 0.216 396 D C 1.777 178.199 176.300 0.203 0.000 0.970 396 D CA 0.605 54.702 54.000 0.161 0.000 0.889 396 D CB 0.009 40.915 40.800 0.175 0.000 0.912 396 D HN 0.083 nan 8.370 nan 0.000 0.524 397 V N 0.278 120.228 119.914 0.060 0.000 2.672 397 V HA -0.043 4.077 4.120 -0.000 0.000 0.242 397 V C 2.377 178.335 176.094 -0.228 0.000 1.059 397 V CA 0.589 62.816 62.300 -0.122 0.000 1.081 397 V CB -0.032 31.570 31.823 -0.368 0.000 0.752 397 V HN -0.029 nan 8.190 nan 0.000 0.472 398 R N 0.572 120.901 120.500 -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 1.492 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 1.435 121.938 120.570 -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 1.959 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 5.937 126.548 120.570 0.068 0.000 2.533 400 I HA 0.079 4.249 4.170 -0.000 0.000 0.284 400 I C 0.618 176.847 176.117 0.186 0.000 1.109 400 I CA 0.289 61.692 61.300 0.172 0.000 1.412 400 I CB 0.482 38.600 38.000 0.197 0.000 1.396 400 I HN 0.627 nan 8.210 nan 0.000 0.543 401 E N 6.680 126.994 120.200 0.191 0.000 2.256 401 E HA 0.133 4.483 4.350 -0.000 0.000 0.243 401 E C -0.674 175.933 176.600 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 3.414 122.160 118.700 0.078 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 53.010 53.050 0.003 0.000 0.995 402 N CB 0.199 38.819 38.487 0.222 0.000 1.324 402 N HN 0.562 nan 8.380 nan 0.000 0.512 403 H N 1.425 120.377 119.070 -0.197 0.000 2.529 403 H HA 0.287 4.843 4.556 -0.000 0.000 0.277 403 H C 1.071 176.265 175.328 -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 -0.162 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 -0.359 0.000 2.512 404 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.240 404 G HA3 -0.279 3.681 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 -2.577 111.865 114.554 -0.188 0.000 2.909 405 T HA 0.690 5.040 4.350 -0.000 0.000 0.299 405 T C -0.548 174.110 174.700 -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 71.162 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 0.168 4.518 4.350 -0.000 0.000 0.264 406 E C -0.276 176.298 176.600 -0.043 0.000 1.120 406 E CA -0.414 55.958 56.400 -0.048 0.000 1.061 406 E CB 0.076 29.748 29.700 -0.047 0.000 1.190 406 E HN 0.677 nan 8.360 nan 0.000 0.459 407 D N 1.229 121.604 120.400 -0.042 0.000 2.755 407 D HA 0.022 4.662 4.640 -0.000 0.000 0.257 407 D C 0.535 176.804 176.300 -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 41.161 40.800 -0.044 0.000 1.059 407 D HN 0.075 nan 8.370 nan 0.000 0.486 408 E N 0.308 120.482 120.200 -0.044 0.000 2.051 408 E HA 0.022 4.372 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 0.784 57.161 56.400 -0.038 0.000 0.799 408 E CB 0.102 29.784 29.700 -0.030 0.000 0.748 408 E HN 0.408 nan 8.360 nan 0.000 0.449 409 L N 2.410 123.602 121.223 -0.053 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 -1.961 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 32.065 31.700 -0.459 0.000 1.008 411 N N 1.048 119.368 118.700 -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 0.873 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 0.002 120.197 120.300 -0.175 0.000 2.598 412 Y HA 0.635 5.185 4.550 -0.000 0.000 0.340 412 Y C 0.220 175.798 175.900 -0.536 0.000 1.038 412 Y CA -1.427 56.415 58.100 -0.431 0.000 1.100 412 Y CB 1.143 39.181 38.460 -0.704 0.000 1.281 412 Y HN 0.519 nan 8.280 nan 0.000 0.488 413 C N 0.394 119.389 119.300 -0.508 0.000 2.455 413 C HA 0.916 5.376 4.460 -0.000 0.000 0.320 413 C C -1.025 173.573 174.990 -0.653 0.000 1.226 413 C CA -1.046 57.736 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 1.020 120.960 119.950 -0.017 0.000 2.639 414 F HA 0.803 5.330 4.527 -0.000 0.000 0.339 414 F C -1.981 173.815 175.800 -0.008 0.000 1.071 414 F CA -2.322 55.655 58.000 -0.037 0.000 0.994 414 F CB 0.327 39.299 39.000 -0.047 0.000 1.341 414 F HN 0.392 nan 8.300 nan 0.000 0.498 415 P HA 0.273 nan 4.420 nan 0.000 0.275 415 P C 0.826 178.120 177.300 -0.009 0.000 1.228 415 P CA -0.285 62.894 63.100 0.132 0.000 0.786 415 P CB 0.752 32.546 31.700 0.158 0.000 0.927 416 L N 1.151 122.344 121.223 -0.051 0.000 2.089 416 L HA -0.179 4.161 4.340 -0.000 0.000 0.213 416 L C 2.142 178.631 176.870 -0.636 0.000 1.079 416 L CA 2.221 56.944 54.840 -0.196 0.000 0.758 416 L CB -1.240 40.795 42.059 -0.041 0.000 0.891 416 L HN 0.586 nan 8.230 nan 0.000 0.433 417 G N -1.808 106.438 108.800 -0.924 0.000 2.985 417 G HA2 0.275 4.235 3.960 -0.000 0.000 0.209 417 G HA3 0.275 4.235 3.960 -0.000 0.000 0.209 417 G C 1.287 175.794 174.900 -0.655 0.000 1.165 417 G CA 0.493 44.582 45.100 -1.685 0.000 0.776 417 G HN 0.551 nan 8.290 nan 0.000 0.541 418 G N -1.683 106.910 108.800 -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 -0.339 119.547 119.914 -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 33.818 31.823 0.046 0.000 1.093 419 V HN 0.367 nan 8.190 nan 0.000 0.434 420 I N 2.726 123.369 120.570 0.121 0.000 4.770 420 I HA 0.330 4.500 4.170 -0.000 0.000 0.327 420 I C 0.537 176.697 176.117 0.072 0.000 1.271 420 I CA 0.189 61.562 61.300 0.122 0.000 1.320 420 I CB 0.797 38.866 38.000 0.116 0.000 1.319 420 I HN 0.618 nan 8.210 nan 0.000 0.462 421 N N 2.822 121.551 118.700 0.049 0.000 2.802 421 N HA 0.113 4.853 4.740 -0.000 0.000 0.288 421 N C -0.114 175.414 175.510 0.030 0.000 1.268 421 N CA 0.177 53.237 53.050 0.017 0.000 1.035 421 N CB -0.113 38.370 38.487 -0.008 0.000 1.353 421 N HN 0.369 nan 8.380 nan 0.000 0.522 422 T N -1.550 113.031 114.554 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 -0.633 61.490 62.100 0.039 0.000 1.071 422 T CB 1.388 70.288 68.868 0.055 0.000 0.985 422 T HN 0.379 nan 8.240 nan 0.000 0.537 423 E N 0.682 120.890 120.200 0.013 0.000 2.210 423 E HA 0.354 4.704 4.350 -0.000 0.000 0.266 423 E C -1.092 175.509 176.600 0.001 0.000 0.883 423 E CA -0.997 55.405 56.400 0.004 0.000 0.761 423 E CB 1.314 31.012 29.700 -0.003 0.000 1.156 423 E HN 0.598 nan 8.360 nan 0.000 0.412 424 T N 4.294 118.848 114.554 -0.000 0.000 2.902 424 T HA 0.229 4.579 4.350 -0.000 0.000 0.301 424 T C 0.199 174.895 174.700 -0.006 0.000 1.012 424 T CA 0.081 62.180 62.100 -0.001 0.000 1.151 424 T CB 0.056 68.923 68.868 -0.001 0.000 0.946 424 T HN 0.368 nan 8.240 nan 0.000 0.542 425 L N 1.851 123.071 121.223 -0.005 0.000 2.303 425 L HA 0.640 4.980 4.340 -0.000 0.000 0.256 425 L C 0.135 177.001 176.870 -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 0.692 115.235 114.554 -0.019 0.000 2.848 426 T HA 0.239 4.589 4.350 -0.000 0.000 0.285 426 T C -0.578 174.105 174.700 -0.027 0.000 0.995 426 T CA -0.575 61.521 62.100 -0.007 0.000 0.970 426 T CB 1.844 70.713 68.868 0.002 0.000 0.976 426 T HN 0.369 nan 8.240 nan 0.000 0.441 427 K N 2.664 123.052 120.400 -0.020 0.000 2.382 427 K HA 0.481 4.801 4.320 -0.000 0.000 0.275 427 K C -0.873 175.715 176.600 -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 1.778 121.685 119.914 -0.013 0.000 3.040 428 V HA 0.608 4.728 4.120 -0.000 0.000 0.312 428 V C -0.604 175.595 176.094 0.175 0.000 1.115 428 V CA -0.748 61.602 62.300 0.082 0.000 0.998 428 V CB 1.908 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 3.623 124.160 120.400 0.229 0.000 2.316 429 K HA 0.896 5.216 4.320 -0.000 0.000 0.251 429 K C -3.048 173.657 176.600 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 34.185 32.500 0.079 0.000 1.171 429 K HN 0.507 nan 8.250 nan 0.000 0.426 438 W N 0.142 121.437 121.300 -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 -0.373 56.967 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 0.796 nan 8.180 nan 0.000 0.516 439 E N 0.348 120.677 120.200 0.214 0.000 2.256 439 E HA 0.648 4.998 4.350 -0.000 0.000 0.268 439 E C -0.317 176.357 176.600 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 1.379 121.833 120.400 0.091 0.000 2.469 440 K HA 0.322 4.642 4.320 -0.000 0.000 0.274 440 K C -0.189 176.452 176.600 0.068 0.000 0.983 440 K CA 0.376 56.706 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 -0.437 120.002 120.400 0.066 0.000 2.252 441 D HA 0.787 5.427 4.640 -0.000 0.000 0.245 441 D C -0.661 175.692 176.300 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 42.599 40.800 0.074 0.000 1.251 441 D HN 0.818 nan 8.370 nan 0.000 0.460 446 S N 0.005 115.813 115.700 0.179 0.000 2.672 446 S HA 0.451 4.921 4.470 -0.000 0.000 0.276 446 S C 0.629 175.285 174.600 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 0.387 120.819 120.400 0.053 0.000 2.269 447 D HA 0.170 4.810 4.640 -0.000 0.000 0.208 447 D C 0.603 176.921 176.300 0.030 0.000 0.963 447 D CA 1.375 55.398 54.000 0.039 0.000 0.864 447 D CB -0.200 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 1.960 120.678 118.700 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 2.174 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 1.730 121.942 120.200 0.021 0.000 2.167 450 E HA 0.465 4.815 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 1.329 31.046 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 -0.483 175.645 176.117 0.018 0.000 1.056 451 I CA -1.121 60.191 61.300 0.019 0.000 1.057 451 I CB 1.863 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 5.614 126.128 120.500 0.024 0.000 2.234 452 R HA 0.482 4.822 4.340 -0.000 0.000 0.324 452 R C -1.564 174.744 176.300 0.012 0.000 1.054 452 R CA -0.209 55.906 56.100 0.025 0.000 0.912 452 R CB 0.923 31.245 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 0.664 62.964 62.300 0.001 0.000 0.851 453 V CB 0.301 32.119 31.823 -0.009 0.000 1.000 453 V HN 1.068 nan 8.190 nan 0.000 0.456 454 G N 5.369 114.172 108.800 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 -0.752 44.352 45.100 0.008 0.000 1.033 454 G HN 0.553 nan 8.290 nan 0.000 0.502 455 N N 1.086 119.794 118.700 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 0.286 53.344 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 -0.576 118.155 118.700 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 -0.095 119.892 119.950 0.060 0.000 2.467 457 F HA 0.529 5.056 4.527 -0.000 0.000 0.362 457 F C -0.164 175.658 175.800 0.037 0.000 1.090 457 F CA -0.715 57.308 58.000 0.039 0.000 1.202 457 F CB -0.160 38.862 39.000 0.038 0.000 1.113 457 F HN 0.728 nan 8.300 nan 0.000 0.541 458 A N 7.639 130.030 122.820 -0.716 0.000 2.498 458 A HA 0.805 5.125 4.320 -0.000 0.000 0.298 458 A C -1.250 175.871 177.584 -0.772 0.000 1.075 458 A CA -0.903 50.699 52.037 -0.724 0.000 0.714 458 A CB 1.546 20.195 19.000 -0.584 0.000 1.299 458 A HN 0.668 nan 8.150 nan 0.000 0.407 459 M N 1.445 120.706 119.600 -0.565 0.000 2.393 459 M HA 0.445 4.925 4.480 -0.000 0.000 0.316 459 M C -0.433 175.790 176.300 -0.129 0.000 1.087 459 M CA -0.174 54.934 55.300 -0.320 0.000 0.937 459 M CB 1.721 34.167 32.600 -0.256 0.000 1.668 459 M HN 0.930 nan 8.290 nan 0.000 0.438 460 E N 2.240 122.417 120.200 -0.038 0.000 2.222 460 E HA 0.763 5.113 4.350 -0.000 0.000 0.272 460 E C -1.657 174.889 176.600 -0.091 0.000 0.982 460 E CA -0.598 55.783 56.400 -0.033 0.000 0.842 460 E CB 2.527 32.233 29.700 0.011 0.000 1.144 460 E HN 0.699 nan 8.360 nan 0.000 0.397 461 I N 2.698 123.180 120.570 -0.147 0.000 2.787 461 I HA 0.233 4.402 4.170 -0.000 0.000 0.294 461 I C -1.760 174.276 176.117 -0.135 0.000 1.365 461 I CA -0.718 60.513 61.300 -0.116 0.000 1.029 461 I CB 1.956 39.907 38.000 -0.081 0.000 1.313 461 I HN 0.402 nan 8.210 nan 0.000 0.431 462 N N 7.600 126.238 118.700 -0.105 0.000 2.767 462 N HA 0.291 5.031 4.740 -0.000 0.000 0.238 462 N C 0.800 176.282 175.510 -0.046 0.000 1.083 462 N CA -0.151 52.846 53.050 -0.088 0.000 0.964 462 N CB 0.514 38.954 38.487 -0.078 0.000 1.252 462 N HN 0.728 nan 8.380 nan 0.000 0.512 463 L N 1.827 123.019 121.223 -0.051 0.000 1.963 463 L HA -0.280 4.060 4.340 -0.000 0.000 0.220 463 L C 1.774 178.651 176.870 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 0.075 118.778 118.700 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 1.659 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 1.718 124.583 122.820 0.074 0.000 1.908 465 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 465 A C 2.124 179.798 177.584 0.149 0.000 1.181 465 A CA 1.283 53.400 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 -0.145 4.595 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 1.741 54.832 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 1.416 56.355 54.840 0.164 0.000 0.755 467 L CB -0.634 41.507 42.059 0.136 0.000 0.889 467 L HN 0.458 nan 8.230 nan 0.000 0.432 468 W N 1.381 122.713 121.300 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 1.398 58.787 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 0.266 120.781 120.500 0.026 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 2.310 58.346 56.100 -0.107 0.000 0.943 469 R CB -0.703 29.577 30.300 -0.035 0.000 0.846 469 R HN 0.156 nan 8.270 nan 0.000 0.431 470 N N -0.148 118.584 118.700 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 1.368 54.474 53.050 0.094 0.000 0.859 470 N CB -0.291 38.260 38.487 0.108 0.000 1.002 470 N HN 0.182 nan 8.380 nan 0.000 0.428 471 F N 0.793 120.740 119.950 -0.005 0.000 2.146 471 F HA 0.016 4.543 4.527 -0.000 0.000 0.298 471 F C 1.705 177.444 175.800 -0.102 0.000 1.096 471 F CA 1.014 59.010 58.000 -0.007 0.000 1.275 471 F CB -0.181 38.844 39.000 0.042 0.000 1.008 471 F HN -0.031 nan 8.300 nan 0.000 0.480 472 L N -1.152 119.908 121.223 -0.272 0.000 2.027 472 L HA -0.219 4.121 4.340 -0.000 0.000 0.206 472 L C 2.327 179.064 176.870 -0.222 0.000 1.074 472 L CA 1.522 56.130 54.840 -0.387 0.000 0.745 472 L CB -1.050 40.727 42.059 -0.470 0.000 0.898 472 L HN 0.177 nan 8.230 nan 0.000 0.433 473 Y N 0.120 120.291 120.300 -0.215 0.000 2.145 473 Y HA -0.308 4.242 4.550 -0.000 0.000 0.286 473 Y C 3.065 178.899 175.900 -0.110 0.000 1.145 473 Y CA 1.798 59.810 58.100 -0.146 0.000 1.148 473 Y CB -0.274 38.116 38.460 -0.118 0.000 0.981 473 Y HN 0.148 nan 8.280 nan 0.000 0.507 474 S N -0.097 115.596 115.700 -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 1.774 59.967 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 0.619 nan 8.310 nan 0.000 0.449 475 N N 0.043 118.684 118.700 -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 0.019 0.000 1.029 475 N CA 1.120 54.147 53.050 -0.037 0.000 0.897 475 N CB 0.064 38.280 38.487 -0.453 0.000 0.991 475 N HN 0.439 nan 8.380 nan 0.000 0.441 476 I N 0.604 121.101 120.570 -0.121 0.000 3.345 476 I HA 0.135 4.305 4.170 -0.000 0.000 0.258 476 I C 2.260 178.340 176.117 -0.061 0.000 1.134 476 I CA 0.273 61.530 61.300 -0.071 0.000 1.457 476 I CB -0.518 37.399 38.000 -0.138 0.000 1.425 476 I HN -0.141 nan 8.210 nan 0.000 0.461 477 A N 1.455 124.159 122.820 -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 2.133 53.988 52.037 -0.303 0.000 0.650 477 A CB -1.389 17.298 19.000 -0.521 0.000 0.836 477 A HN 0.406 nan 8.150 nan 0.000 0.454 478 L N -2.252 118.671 121.223 -0.500 0.000 2.261 478 L HA -0.206 4.134 4.340 -0.000 0.000 0.216 478 L C 2.006 178.579 176.870 -0.496 0.000 1.114 478 L CA 1.053 55.575 54.840 -0.529 0.000 0.777 478 L CB -0.435 41.267 42.059 -0.594 0.000 0.910 478 L HN 0.544 nan 8.230 nan 0.000 0.440 479 Y N -0.963 119.207 120.300 -0.217 0.000 2.466 479 Y HA 0.174 4.724 4.550 -0.000 0.000 0.272 479 Y C 1.139 176.967 175.900 -0.120 0.000 1.169 479 Y CA -0.641 57.375 58.100 -0.140 0.000 1.285 479 Y CB -0.146 38.273 38.460 -0.069 0.000 1.078 479 Y HN 0.003 nan 8.280 nan 0.000 0.523 480 L N 2.261 123.450 121.223 -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 0.053 42.026 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 -0.054 177.183 177.300 -0.105 0.000 1.209 481 P CA -0.107 62.946 63.100 -0.078 0.000 0.776 481 P CB 0.554 32.214 31.700 -0.067 0.000 0.876 482 D N 2.398 122.766 120.400 -0.054 0.000 2.158 482 D HA -0.222 4.418 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 1.437 55.414 54.000 -0.039 0.000 0.846 482 D CB -0.147 40.692 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 1.833 178.382 176.600 -0.084 0.000 1.046 483 K CA 1.061 57.319 56.287 -0.048 0.000 0.933 483 K CB -0.385 32.093 32.500 -0.037 0.000 0.728 483 K HN 0.289 nan 8.250 nan 0.000 0.454 484 L N 0.678 121.809 121.223 -0.153 0.000 2.558 484 L HA 0.097 4.437 4.340 -0.000 0.000 0.225 484 L C 0.883 177.692 176.870 -0.101 0.000 1.128 484 L CA 0.125 54.860 54.840 -0.175 0.000 0.868 484 L CB 0.040 41.906 42.059 -0.322 0.000 1.006 484 L HN 0.097 nan 8.230 nan 0.000 0.454 485 K N -0.060 120.278 120.400 -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 55.586 56.287 -0.132 0.000 0.935 485 K CB 1.232 33.591 32.500 -0.235 0.000 1.162 485 K HN -0.140 nan 8.250 nan 0.000 0.485 486 Y N -3.029 117.197 120.300 -0.124 0.000 2.581 486 Y HA 0.401 4.951 4.550 -0.000 0.000 0.337 486 Y C -1.017 174.813 175.900 -0.118 0.000 1.108 486 Y CA -1.171 56.868 58.100 -0.102 0.000 1.033 486 Y CB 0.916 39.323 38.460 -0.088 0.000 1.318 486 Y HN 0.351 nan 8.280 nan 0.000 0.459 487 S N 4.469 120.237 115.700 0.113 0.000 2.565 487 S HA 0.422 4.892 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 -0.859 57.352 58.200 0.018 0.000 1.045 487 S CB 0.279 63.492 63.200 0.022 0.000 0.918 487 S HN 0.554 nan 8.310 nan 0.000 0.505 488 P HA 0.257 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 -0.613 62.522 63.100 0.058 0.000 0.798 488 P CB 0.497 32.193 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 -0.633 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 -0.896 117.780 118.700 -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 0.560 4.680 4.120 -0.000 0.000 0.301 491 V C 0.604 176.688 176.094 -0.017 0.000 1.044 491 V CA -0.691 61.593 62.300 -0.026 0.000 0.874 491 V CB 1.872 33.683 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 -0.579 176.016 176.600 -0.009 0.000 1.009 492 K CA 0.327 56.611 56.287 -0.005 0.000 0.995 492 K CB 0.646 33.146 32.500 -0.001 0.000 0.917 492 K HN 0.772 nan 8.250 nan 0.000 0.481 493 I N 1.031 121.603 120.570 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 3.700 119.447 115.700 0.078 0.000 2.569 494 S HA 0.012 4.482 4.470 -0.000 0.000 0.274 494 S C 0.494 175.155 174.600 0.102 0.000 1.353 494 S CA 0.574 58.823 58.200 0.082 0.000 1.023 494 S CB 0.725 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 0.006 176.223 176.300 -0.139 0.000 0.989 495 D CA 0.289 54.270 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 0.797 119.420 118.700 -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 0.522 176.031 175.510 -0.002 0.000 1.141 498 N CA 0.545 53.572 53.050 -0.038 0.000 0.851 498 N CB -0.319 38.149 38.487 -0.032 0.000 0.976 498 N HN 0.104 nan 8.380 nan 0.000 0.465 499 T N -0.325 114.232 114.554 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 -0.440 61.694 62.100 0.056 0.000 1.061 499 T CB 1.267 70.164 68.868 0.049 0.000 1.007 499 T HN 0.145 nan 8.240 nan 0.000 0.502 500 Y N 2.248 122.533 120.300 -0.025 0.000 2.220 500 Y HA -0.078 4.472 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 2.082 60.144 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 -0.926 119.486 120.400 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 1.862 55.809 54.000 -0.089 0.000 0.840 501 D CB -0.537 40.273 40.800 0.017 0.000 0.947 501 D HN 0.488 nan 8.370 nan 0.000 0.452 502 Y N 0.507 120.691 120.300 -0.192 0.000 2.089 502 Y HA -0.189 4.361 4.550 -0.000 0.000 0.282 502 Y C 2.299 178.043 175.900 -0.260 0.000 1.139 502 Y CA 1.855 59.844 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 -0.000 nan 8.280 nan 0.000 0.493 503 M N -0.214 119.267 119.600 -0.199 0.000 2.202 503 M HA -0.236 4.244 4.480 -0.000 0.000 0.262 503 M C 1.791 177.777 176.300 -0.524 0.000 1.063 503 M CA 2.053 57.153 55.300 -0.333 0.000 1.097 503 M CB -0.473 31.981 32.600 -0.244 0.000 1.382 503 M HN 0.309 nan 8.290 nan 0.000 0.413 504 N N 0.379 118.674 118.700 -0.675 0.000 2.376 504 N HA -0.055 4.685 4.740 -0.000 0.000 0.177 504 N C 1.306 176.422 175.510 -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 -0.558 119.517 120.400 -0.542 0.000 2.276 505 K HA 0.198 4.518 4.320 -0.000 0.000 0.198 505 K C 0.001 176.378 176.600 -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 32.672 32.500 -0.294 0.000 0.836 505 K HN -0.017 nan 8.250 nan 0.000 0.490 506 R N 1.819 122.009 120.500 -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 0.227 30.151 30.300 -0.627 0.000 0.932 506 R HN 0.015 nan 8.270 nan 0.000 0.409 507 V N 2.824 122.414 119.914 -0.539 0.000 2.612 507 V HA 0.573 4.693 4.120 -0.000 0.000 0.301 507 V C -0.474 175.232 176.094 -0.646 0.000 1.046 507 V CA -0.678 61.276 62.300 -0.577 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 5.961 125.666 119.914 -0.348 0.000 2.709 508 V HA 0.876 4.996 4.120 -0.000 0.000 0.308 508 V C 0.321 176.425 176.094 0.016 0.000 1.062 508 V CA -0.037 62.139 62.300 -0.208 0.000 0.901 508 V CB 1.690 33.373 31.823 -0.233 0.000 1.003 508 V HN 1.613 nan 8.190 nan 0.000 0.425 509 A N 7.910 130.757 122.820 0.045 0.000 2.404 509 A HA 0.597 4.917 4.320 -0.000 0.000 0.273 509 A C -1.631 176.038 177.584 0.142 0.000 1.144 509 A CA -1.074 51.014 52.037 0.085 0.000 0.806 509 A CB 0.332 19.356 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 1.563 178.898 177.300 0.059 0.000 1.148 510 P CA 1.677 64.876 63.100 0.165 0.000 0.803 510 P CB 0.070 31.689 31.700 -0.136 0.000 0.782 511 G N -0.323 108.499 108.800 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 1.411 176.346 174.900 0.058 0.000 1.122 511 G CA 0.252 45.384 45.100 0.052 0.000 0.769 511 G HN 0.256 nan 8.290 nan 0.000 0.549 512 L N -0.330 120.924 121.223 0.051 0.000 2.109 512 L HA 0.058 4.398 4.340 -0.000 0.000 0.207 512 L C 0.876 177.790 176.870 0.073 0.000 1.086 512 L CA 0.557 55.439 54.840 0.070 0.000 0.760 512 L CB 0.141 42.227 42.059 0.044 0.000 0.910 512 L HN 0.037 nan 8.230 nan 0.000 0.437 513 V N -0.785 119.139 119.914 0.017 0.000 2.468 513 V HA 0.220 4.340 4.120 -0.000 0.000 0.256 513 V C -0.403 175.610 176.094 -0.135 0.000 0.998 513 V CA -0.582 61.698 62.300 -0.034 0.000 1.114 513 V CB 0.514 32.307 31.823 -0.049 0.000 1.378 513 V HN 0.103 nan 8.190 nan 0.000 0.573 514 D N 0.554 120.810 120.400 -0.240 0.000 2.383 514 D HA 0.127 4.767 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 2.246 42.623 40.800 -0.704 0.000 1.120 514 D HN 0.538 nan 8.370 nan 0.000 0.481 515 C N 0.657 119.729 119.300 -0.381 0.000 2.400 515 C HA -0.161 4.299 4.460 -0.000 0.000 0.291 515 C C 1.905 176.968 174.990 0.120 0.000 1.372 515 C CA 0.184 59.161 59.018 -0.069 0.000 1.800 515 C CB -2.137 25.721 27.740 0.198 0.000 1.869 515 C HN 0.612 nan 8.230 nan 0.000 0.533 516 Y N -1.143 119.262 120.300 0.176 0.000 2.532 516 Y HA 0.592 5.142 4.550 -0.000 0.000 0.283 516 Y C 0.789 176.760 175.900 0.120 0.000 1.181 516 Y CA -2.156 56.028 58.100 0.141 0.000 1.256 516 Y CB -1.081 37.436 38.460 0.094 0.000 1.112 516 Y HN 0.176 nan 8.280 nan 0.000 0.521 517 I N 3.443 124.094 120.570 0.134 0.000 2.533 517 I HA 0.037 4.207 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 -0.398 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 5.551 124.330 118.700 0.131 0.000 2.698 518 N HA -0.245 4.495 4.740 -0.000 0.000 0.258 518 N C -0.081 175.483 175.510 0.090 0.000 0.978 518 N CA 0.501 53.592 53.050 0.070 0.000 0.777 518 N CB -0.908 37.621 38.487 0.070 0.000 0.907 518 N HN 0.550 nan 8.380 nan 0.000 0.543 519 L N 0.103 121.383 121.223 0.094 0.000 2.578 519 L HA 0.013 4.353 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 56.111 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 0.646 nan 8.230 nan 0.000 0.496 520 G N 2.626 111.457 108.800 0.052 0.000 2.162 520 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.260 520 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.260 520 G C 0.162 175.090 174.900 0.046 0.000 0.976 520 G CA 0.150 45.273 45.100 0.039 0.000 0.655 520 G HN 0.999 nan 8.290 nan 0.000 0.533 521 A N -0.666 122.195 122.820 0.067 0.000 2.322 521 A HA 0.899 5.219 4.320 -0.000 0.000 0.327 521 A C 0.360 178.033 177.584 0.149 0.000 1.134 521 A CA -0.167 51.924 52.037 0.089 0.000 0.831 521 A CB 1.043 20.075 19.000 0.053 0.000 1.288 521 A HN 0.686 nan 8.150 nan 0.000 0.472 522 R N 1.481 122.087 120.500 0.176 0.000 2.423 522 R HA 0.292 4.632 4.340 -0.000 0.000 0.293 522 R C -1.595 174.869 176.300 0.273 0.000 1.196 522 R CA -0.168 56.037 56.100 0.175 0.000 1.262 522 R CB 0.425 30.790 30.300 0.109 0.000 1.116 522 R HN 0.773 nan 8.270 nan 0.000 0.566 523 W N 3.514 124.823 121.300 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 4.795 120.179 115.700 -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 1.402 64.348 63.200 -0.423 0.000 0.961 524 S HN 0.439 nan 8.310 nan 0.000 0.496 525 L N 2.815 123.964 121.223 -0.123 0.000 2.499 525 L HA 0.062 4.402 4.340 -0.000 0.000 0.273 525 L C 0.946 177.777 176.870 -0.064 0.000 1.195 525 L CA -0.304 54.548 54.840 0.019 0.000 0.882 525 L CB 0.121 42.238 42.059 0.097 0.000 1.133 525 L HN 0.756 nan 8.230 nan 0.000 0.483 526 D N 1.772 122.167 120.400 -0.009 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 -0.040 0.000 0.971 526 D CA 1.423 55.383 54.000 -0.067 0.000 0.867 526 D CB 0.121 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 -0.167 120.158 120.300 0.042 0.000 2.286 527 Y HA -0.000 4.550 4.550 -0.000 0.000 0.293 527 Y C 2.187 178.095 175.900 0.012 0.000 1.124 527 Y CA 0.643 58.764 58.100 0.035 0.000 1.178 527 Y CB -0.131 38.351 38.460 0.037 0.000 1.010 527 Y HN -0.043 nan 8.280 nan 0.000 0.536 528 M N -0.603 119.079 119.600 0.136 0.000 2.541 528 M HA -0.049 4.431 4.480 -0.000 0.000 0.252 528 M C 1.055 177.345 176.300 -0.018 0.000 1.125 528 M CA 0.633 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 1.657 122.034 120.400 -0.038 0.000 2.116 529 D HA -0.155 4.485 4.640 -0.000 0.000 0.193 529 D C 1.094 177.493 176.300 0.164 0.000 0.998 529 D CA 1.229 55.184 54.000 -0.074 0.000 0.836 529 D CB -0.244 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 0.023 118.861 118.700 0.230 0.000 2.314 530 N HA 0.032 4.772 4.740 -0.000 0.000 0.200 530 N C -0.458 175.265 175.510 0.355 0.000 1.135 530 N CA 0.015 53.268 53.050 0.338 0.000 0.835 530 N CB 0.956 39.585 38.487 0.236 0.000 0.989 530 N HN 0.011 nan 8.380 nan 0.000 0.478 531 V N 1.672 121.695 119.914 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 61.177 62.300 0.049 0.000 0.900 531 V CB 1.350 33.186 31.823 0.021 0.000 0.983 531 V HN 0.179 nan 8.190 nan 0.000 0.459 532 N N 7.731 126.166 118.700 -0.442 0.000 2.386 532 N HA 0.025 4.765 4.740 -0.000 0.000 0.273 532 N C -1.442 173.764 175.510 -0.508 0.000 1.331 532 N CA -1.203 51.279 53.050 -0.946 0.000 0.891 532 N CB 1.423 39.695 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 0.851 177.798 177.300 -0.589 0.000 1.156 533 P CA 0.982 63.639 63.100 -0.739 0.000 0.787 533 P CB 0.002 30.964 31.700 -1.231 0.000 0.802 534 F N -0.198 119.724 119.950 -0.046 0.000 2.367 534 F HA 0.022 4.549 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 0.402 58.445 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 0.005 4.745 4.740 -0.000 0.000 0.274 535 N C -0.653 174.981 175.510 0.207 0.000 1.188 535 N CA 0.435 53.607 53.050 0.203 0.000 1.065 535 N CB -0.496 38.115 38.487 0.208 0.000 1.415 535 N HN 0.307 nan 8.380 nan 0.000 0.511 536 H N 0.546 119.649 119.070 0.054 0.000 3.064 536 H HA 0.028 4.584 4.556 -0.000 0.000 0.352 536 H C 0.765 176.145 175.328 0.086 0.000 1.260 536 H CA -0.381 55.619 56.048 -0.080 0.000 1.160 536 H CB 1.204 30.709 29.762 -0.427 0.000 1.879 536 H HN 0.506 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 0.070 4.626 4.556 -0.000 0.000 0.277 537 H C 0.504 176.022 175.328 0.316 0.000 1.004 537 H CA 0.455 56.689 56.048 0.310 0.000 1.231 537 H CB 0.272 30.200 29.762 0.278 0.000 1.382 537 H HN 0.347 nan 8.280 nan 0.000 0.580 538 R N 0.940 121.468 120.500 0.047 0.000 2.388 538 R HA 0.033 4.373 4.340 -0.000 0.000 0.247 538 R C 0.117 176.424 176.300 0.011 0.000 0.931 538 R CA -0.243 55.843 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 0.700 176.231 175.510 0.035 0.000 1.127 539 N CA -0.014 53.082 53.050 0.076 0.000 0.945 539 N CB 1.263 39.836 38.487 0.143 0.000 1.196 539 N HN 0.105 nan 8.380 nan 0.000 0.499 540 A N 3.713 126.565 122.820 0.054 0.000 1.917 540 A HA -0.104 4.216 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 1.947 54.036 52.037 0.087 0.000 0.633 540 A CB -1.141 17.944 19.000 0.142 0.000 0.819 540 A HN 0.666 nan 8.150 nan 0.000 0.448 541 G N -0.128 108.689 108.800 0.030 0.000 2.459 541 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.217 541 G HA3 -0.172 3.788 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 1.299 46.314 45.100 -0.141 0.000 0.776 541 G HN 0.653 nan 8.290 nan 0.000 0.552 542 L N 0.492 121.700 121.223 -0.024 0.000 2.056 542 L HA 0.127 4.467 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 2.173 57.006 54.840 -0.012 0.000 0.749 542 L CB -0.618 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 -1.674 118.714 120.500 -0.187 0.000 2.083 543 R HA -0.274 4.066 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 2.168 58.004 56.100 -0.440 0.000 0.951 543 R CB -0.715 29.309 30.300 -0.459 0.000 0.851 543 R HN 0.582 nan 8.270 nan 0.000 0.434 544 Y N 0.752 120.963 120.300 -0.149 0.000 2.181 544 Y HA -0.170 4.380 4.550 -0.000 0.000 0.288 544 Y C 2.124 177.976 175.900 -0.080 0.000 1.146 544 Y CA 1.728 59.778 58.100 -0.084 0.000 1.164 544 Y CB -0.007 38.387 38.460 -0.110 0.000 0.982 544 Y HN -0.019 nan 8.280 nan 0.000 0.515 545 R N -0.576 119.889 120.500 -0.059 0.000 2.115 545 R HA -0.134 4.206 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 1.239 57.278 56.100 -0.102 0.000 0.976 545 R CB -0.477 29.798 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 1.112 59.366 58.200 0.091 0.000 0.988 546 S CB 0.027 63.417 63.200 0.316 0.000 0.838 546 S HN 0.208 nan 8.310 nan 0.000 0.462 547 M N 0.433 120.049 119.600 0.027 0.000 2.319 547 M HA 0.020 4.500 4.480 -0.000 0.000 0.265 547 M C 1.856 178.108 176.300 -0.079 0.000 1.068 547 M CA 0.591 55.902 55.300 0.017 0.000 1.118 547 M CB -0.288 32.324 32.600 0.019 0.000 1.395 547 M HN 0.288 nan 8.290 nan 0.000 0.435 548 L N 0.502 121.599 121.223 -0.210 0.000 2.127 548 L HA -0.153 4.187 4.340 -0.000 0.000 0.211 548 L C 2.014 178.855 176.870 -0.049 0.000 1.089 548 L CA 1.841 56.551 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 -2.045 119.176 121.223 -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 -0.382 41.683 42.059 0.011 0.000 0.932 549 L HN 0.444 nan 8.230 nan 0.000 0.447 550 G N 0.114 108.945 108.800 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 -0.482 174.518 174.900 0.166 0.000 1.284 550 G CA -0.056 45.095 45.100 0.086 0.000 0.985 550 G HN 0.115 nan 8.290 nan 0.000 0.504 551 N N 0.074 118.887 118.700 0.187 0.000 2.203 551 N HA 0.343 5.083 4.740 -0.000 0.000 0.207 551 N C 0.728 176.444 175.510 0.343 0.000 1.130 551 N CA 0.787 54.005 53.050 0.279 0.000 0.861 551 N CB 1.022 39.607 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 0.400 175.320 174.900 0.033 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 -0.305 120.160 120.500 -0.059 0.000 2.080 553 R HA -0.087 4.253 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 1.113 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 0.198 120.490 120.300 -0.013 0.000 2.365 554 Y HA 0.298 4.848 4.550 -0.000 0.000 0.340 554 Y C -0.386 175.516 175.900 0.003 0.000 1.016 554 Y CA -0.648 57.446 58.100 -0.010 0.000 1.196 554 Y CB 1.395 39.860 38.460 0.009 0.000 1.167 554 Y HN -0.235 nan 8.280 nan 0.000 0.509 555 V N 5.721 125.734 119.914 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 2.194 34.081 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 0.645 32.352 31.700 0.011 0.000 0.925 557 F N 0.120 120.142 119.950 0.121 0.000 2.556 557 F HA 0.673 5.200 4.527 -0.000 0.000 0.327 557 F C -0.573 175.329 175.800 0.169 0.000 1.059 557 F CA -1.122 56.979 58.000 0.169 0.000 0.953 557 F CB 1.743 40.910 39.000 0.278 0.000 1.227 557 F HN 0.358 nan 8.300 nan 0.000 0.478 558 H N 3.863 123.076 119.070 0.239 0.000 3.108 558 H HA 0.624 5.180 4.556 -0.000 0.000 0.329 558 H C -1.363 174.025 175.328 0.100 0.000 0.978 558 H CA -0.884 55.225 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 0.967 121.646 120.570 0.181 0.000 3.145 559 I HA 0.526 4.696 4.170 -0.000 0.000 0.313 559 I C -1.576 174.462 176.117 -0.132 0.000 1.122 559 I CA -1.264 59.976 61.300 -0.100 0.000 0.987 559 I CB 2.720 40.489 38.000 -0.384 0.000 1.236 559 I HN 0.398 nan 8.210 nan 0.000 0.453 560 Q N 2.451 122.146 119.800 -0.175 0.000 2.327 560 Q HA 0.607 4.947 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 55.268 55.803 -0.024 0.000 0.773 560 Q CB 2.523 31.008 28.738 -0.422 0.000 1.251 560 Q HN 0.551 nan 8.270 nan 0.000 0.457 561 V N 4.240 124.299 119.914 0.240 0.000 2.435 561 V HA 0.621 4.741 4.120 -0.000 0.000 0.290 561 V C -2.219 174.024 176.094 0.247 0.000 1.030 561 V CA -1.964 60.476 62.300 0.233 0.000 0.881 561 V CB 1.472 33.349 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 -1.261 175.888 177.300 -0.251 0.000 1.270 562 P CA -0.794 62.078 63.100 -0.379 0.000 0.844 562 P CB 1.084 32.255 31.700 -0.882 0.000 1.068 563 Q N 1.353 120.985 119.800 -0.280 0.000 2.294 563 Q HA 0.179 4.519 4.340 -0.000 0.000 0.257 563 Q C 0.276 176.130 176.000 -0.244 0.000 0.955 563 Q CA 0.608 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 3.333 123.630 120.400 -0.172 0.000 2.370 564 K HA 0.152 4.472 4.320 -0.000 0.000 0.194 564 K C -0.220 176.276 176.600 -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 2.816 122.659 119.950 -0.179 0.000 2.580 565 F HA -0.149 4.378 4.527 -0.000 0.000 0.398 565 F C 1.084 176.874 175.800 -0.016 0.000 1.023 565 F CA -0.867 57.131 58.000 -0.004 0.000 1.188 565 F CB 0.192 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 4.388 123.953 119.950 -0.642 0.000 2.161 566 F HA -0.085 4.442 4.527 -0.000 0.000 0.300 566 F C 1.740 177.254 175.800 -0.477 0.000 1.089 566 F CA 1.335 59.059 58.000 -0.461 0.000 1.282 566 F CB -1.195 37.619 39.000 -0.310 0.000 1.010 566 F HN 0.382 nan 8.300 nan 0.000 0.485 567 A N 1.039 122.905 122.820 -1.589 0.000 2.119 567 A HA 0.081 4.401 4.320 -0.000 0.000 0.217 567 A C 2.058 179.325 177.584 -0.529 0.000 1.153 567 A CA 1.517 52.978 52.037 -0.960 0.000 0.692 567 A CB -1.134 17.436 19.000 -0.717 0.000 0.799 567 A HN 0.760 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 61.642 61.300 -0.276 0.000 1.205 568 I CB -0.035 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 2.205 122.421 120.400 -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 58.659 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 0.228 118.691 118.700 -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 -0.079 0.000 1.052 570 N HN 0.035 nan 8.380 nan 0.000 0.519 571 L N 1.508 122.486 121.223 -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 -0.160 54.567 54.840 -0.189 0.000 0.869 571 L CB 0.472 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 5.806 127.036 121.223 0.012 0.000 2.259 572 L HA 0.390 4.729 4.340 -0.000 0.000 0.288 572 L C -0.825 176.015 176.870 -0.051 0.000 1.051 572 L CA -0.186 54.640 54.840 -0.023 0.000 0.824 572 L CB 0.802 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 0.371 55.114 54.840 -0.161 0.000 0.831 573 L CB 0.623 42.489 42.059 -0.322 0.000 1.159 573 L HN 0.540 nan 8.230 nan 0.000 0.442 574 L N 5.857 127.101 121.223 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 0.035 42.145 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 -0.156 177.234 177.300 0.150 0.000 1.209 575 P CA 0.234 63.437 63.100 0.172 0.000 0.776 575 P CB 0.708 32.461 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 -1.478 173.191 174.900 -0.384 0.000 1.329 576 G CA -0.613 44.362 45.100 -0.209 0.000 0.935 576 G HN 0.376 nan 8.290 nan 0.000 0.590 577 S N -0.185 115.190 115.700 -0.541 0.000 2.451 577 S HA 0.804 5.274 4.470 -0.000 0.000 0.301 577 S C -1.227 173.023 174.600 -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 0.332 120.640 120.300 0.014 0.000 2.536 578 Y HA 0.433 4.983 4.550 -0.000 0.000 0.347 578 Y C 0.567 176.508 175.900 0.069 0.000 1.000 578 Y CA -1.088 57.031 58.100 0.031 0.000 1.051 578 Y CB 1.254 39.716 38.460 0.004 0.000 1.259 578 Y HN 0.320 nan 8.280 nan 0.000 0.468 579 T N 2.706 117.419 114.554 0.264 0.000 2.738 579 T HA 0.192 4.542 4.350 -0.000 0.000 0.298 579 T C -1.594 173.322 174.700 0.359 0.000 0.962 579 T CA -0.229 62.017 62.100 0.243 0.000 0.972 579 T CB -0.404 68.558 68.868 0.157 0.000 0.928 579 T HN 0.391 nan 8.240 nan 0.000 0.474 580 Y N 3.602 124.043 120.300 0.235 0.000 2.328 580 Y HA 0.514 5.064 4.550 -0.000 0.000 0.333 580 Y C -0.189 175.967 175.900 0.427 0.000 0.958 580 Y CA -1.752 56.534 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 0.630 nan 8.280 nan 0.000 0.470 581 E N 6.100 126.464 120.200 0.274 0.000 2.314 581 E HA 0.334 4.684 4.350 -0.000 0.000 0.272 581 E C -1.924 174.730 176.600 0.089 0.000 0.884 581 E CA -0.542 55.940 56.400 0.136 0.000 0.753 581 E CB 1.669 31.395 29.700 0.043 0.000 1.213 581 E HN 0.694 nan 8.360 nan 0.000 0.432 582 W N 2.584 123.751 121.300 -0.223 0.000 3.118 582 W HA 0.382 5.042 4.660 -0.000 0.000 0.328 582 W C -1.151 175.117 176.519 -0.419 0.000 1.239 582 W CA -0.632 56.467 57.345 -0.410 0.000 1.176 582 W CB 2.227 31.284 29.460 -0.672 0.000 1.433 582 W HN 0.529 nan 8.180 nan 0.000 0.562 583 N N 2.173 120.616 118.700 -0.428 0.000 2.399 583 N HA 0.484 5.224 4.740 -0.000 0.000 0.295 583 N C -1.537 173.854 175.510 -0.199 0.000 1.048 583 N CA -0.251 52.691 53.050 -0.181 0.000 0.886 583 N CB 1.682 40.029 38.487 -0.233 0.000 1.185 583 N HN 0.036 nan 8.380 nan 0.000 0.487 584 F N 0.636 120.749 119.950 0.273 0.000 2.520 584 F HA 0.460 4.987 4.527 -0.000 0.000 0.322 584 F C 1.028 177.031 175.800 0.340 0.000 1.103 584 F CA -0.878 57.231 58.000 0.182 0.000 0.926 584 F CB 1.340 40.255 39.000 -0.141 0.000 1.154 584 F HN 0.085 nan 8.300 nan 0.000 0.453 585 R N 1.442 122.122 120.500 0.299 0.000 2.582 585 R HA 0.303 4.643 4.340 -0.000 0.000 0.271 585 R C 0.620 177.203 176.300 0.473 0.000 1.078 585 R CA -0.214 56.039 56.100 0.255 0.000 1.127 585 R CB 0.862 31.128 30.300 -0.058 0.000 1.038 585 R HN 0.712 nan 8.270 nan 0.000 0.500 586 K N 0.298 120.955 120.400 0.428 0.000 2.450 586 K HA 0.012 4.332 4.320 -0.000 0.000 0.206 586 K C -0.473 176.275 176.600 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 1.997 122.576 120.400 0.298 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 -0.033 54.132 54.000 0.275 0.000 0.914 587 D CB 1.192 42.170 40.800 0.298 0.000 1.116 587 D HN -0.033 nan 8.370 nan 0.000 0.502 588 V N 2.484 122.471 119.914 0.120 0.000 2.469 588 V HA -0.237 3.883 4.120 -0.000 0.000 0.251 588 V C 1.691 177.812 176.094 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 -0.242 118.506 118.700 0.079 0.000 2.453 589 N HA 0.019 4.759 4.740 -0.000 0.000 0.183 589 N C 1.565 177.192 175.510 0.196 0.000 1.041 589 N CA 1.531 54.626 53.050 0.074 0.000 0.900 589 N CB -0.147 38.359 38.487 0.032 0.000 0.961 589 N HN 0.488 nan 8.380 nan 0.000 0.443 590 M N -0.764 118.949 119.600 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 56.023 55.300 0.177 0.000 1.194 590 M CB -0.838 31.827 32.600 0.109 0.000 1.311 590 M HN 0.018 nan 8.290 nan 0.000 0.489 591 V N -0.709 119.298 119.914 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 -0.356 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 0.917 122.151 121.223 0.018 0.000 2.322 592 L HA 0.638 4.978 4.340 -0.000 0.000 0.269 592 L C -0.385 176.460 176.870 -0.040 0.000 1.012 592 L CA -0.462 54.322 54.840 -0.093 0.000 0.815 592 L CB 1.742 43.679 42.059 -0.202 0.000 1.295 592 L HN 0.277 nan 8.230 nan 0.000 0.438 593 Q N 1.121 120.888 119.800 -0.056 0.000 2.331 593 Q HA 0.556 4.896 4.340 -0.000 0.000 0.272 593 Q C -1.528 174.457 176.000 -0.024 0.000 1.062 593 Q CA -0.559 55.224 55.803 -0.033 0.000 0.806 593 Q CB 2.518 31.265 28.738 0.015 0.000 1.312 593 Q HN 0.775 nan 8.270 nan 0.000 0.431 594 S N 0.800 116.479 115.700 -0.035 0.000 2.600 594 S HA 0.411 4.881 4.470 -0.000 0.000 0.300 594 S C 0.564 175.203 174.600 0.065 0.000 1.087 594 S CA -0.074 58.138 58.200 0.020 0.000 0.965 594 S CB 1.684 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 0.851 116.639 115.700 0.147 0.000 2.436 595 S HA 0.005 4.475 4.470 -0.000 0.000 0.228 595 S C 1.375 176.080 174.600 0.176 0.000 1.014 595 S CA 0.270 58.589 58.200 0.199 0.000 0.950 595 S CB -0.546 62.841 63.200 0.313 0.000 0.784 595 S HN 0.489 nan 8.310 nan 0.000 0.504 596 L N 1.562 122.855 121.223 0.117 0.000 2.375 596 L HA 0.373 4.713 4.340 -0.000 0.000 0.215 596 L C 1.949 178.848 176.870 0.049 0.000 1.108 596 L CA 1.136 56.027 54.840 0.084 0.000 0.830 596 L CB -1.471 40.628 42.059 0.066 0.000 0.959 596 L HN 0.597 nan 8.230 nan 0.000 0.457 597 G N 0.366 109.149 108.800 -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 0.460 175.264 174.900 -0.160 0.000 1.008 597 G CA 0.499 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 0.327 118.993 118.700 -0.056 0.000 2.260 598 N HA 0.223 4.963 4.740 -0.000 0.000 0.230 598 N C -0.389 175.079 175.510 -0.069 0.000 1.323 598 N CA 0.073 53.113 53.050 -0.018 0.000 0.897 598 N CB 0.548 39.070 38.487 0.058 0.000 1.146 598 N HN 0.117 nan 8.380 nan 0.000 0.460 599 D N 0.276 120.653 120.400 -0.039 0.000 2.402 599 D HA 0.118 4.758 4.640 -0.000 0.000 0.235 599 D C 1.109 177.385 176.300 -0.041 0.000 1.226 599 D CA -0.302 53.664 54.000 -0.056 0.000 0.918 599 D CB -0.091 40.688 40.800 -0.034 0.000 1.043 599 D HN 0.478 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 -0.148 4.192 4.340 -0.000 0.000 0.215 600 L C 2.421 179.280 176.870 -0.018 0.000 1.117 600 L CA 0.680 55.492 54.840 -0.047 0.000 0.782 600 L CB -0.227 41.793 42.059 -0.065 0.000 0.914 600 L HN 0.344 nan 8.230 nan 0.000 0.441 601 R N -0.497 120.004 120.500 0.001 0.000 2.066 601 R HA -0.078 4.262 4.340 -0.000 0.000 0.232 601 R C 2.198 178.512 176.300 0.023 0.000 1.131 601 R CA 1.095 57.214 56.100 0.031 0.000 0.955 601 R CB -0.839 29.501 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 0.941 177.041 176.094 0.009 0.000 1.048 602 V CA 1.682 63.991 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 0.252 120.652 120.400 -0.000 0.000 2.332 603 D HA 0.163 4.803 4.640 -0.000 0.000 0.244 603 D C 1.689 177.973 176.300 -0.027 0.000 1.136 603 D CA 0.948 54.941 54.000 -0.011 0.000 0.884 603 D CB -0.101 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 0.621 nan 8.290 nan 0.000 0.528 605 A N -0.532 122.264 122.820 -0.041 0.000 2.407 605 A HA 0.766 5.086 4.320 -0.000 0.000 0.248 605 A C 0.637 178.198 177.584 -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 0.447 116.121 115.700 -0.043 0.000 2.564 606 S HA 0.744 5.214 4.470 -0.000 0.000 0.274 606 S C -1.177 173.400 174.600 -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 3.318 123.857 120.570 -0.052 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 60.742 61.300 -0.085 0.000 1.040 607 I CB 1.722 39.630 38.000 -0.152 0.000 1.255 607 I HN 0.741 nan 8.210 nan 0.000 0.422 608 K N 6.681 126.996 120.400 -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 -0.493 55.689 56.287 -0.175 0.000 0.792 608 K CB 1.443 33.911 32.500 -0.053 0.000 1.185 608 K HN 0.326 nan 8.250 nan 0.000 0.425 609 F N 3.320 123.291 119.950 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 -0.612 57.303 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 0.662 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 0.978 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 -0.421 115.232 115.700 -0.078 0.000 2.542 611 S HA 0.540 5.010 4.470 -0.000 0.000 0.276 611 S C -1.243 173.292 174.600 -0.108 0.000 1.148 611 S CA -1.009 57.156 58.200 -0.059 0.000 0.886 611 S CB 1.679 64.859 63.200 -0.033 0.000 1.109 611 S HN 0.088 nan 8.310 nan 0.000 0.458 612 I N 2.231 122.766 120.570 -0.059 0.000 2.499 612 I HA 0.741 4.911 4.170 -0.000 0.000 0.288 612 I C -1.138 175.123 176.117 0.240 0.000 1.048 612 I CA -0.258 61.026 61.300 -0.027 0.000 1.062 612 I CB 1.076 38.908 38.000 -0.280 0.000 1.238 612 I HN 0.974 nan 8.210 nan 0.000 0.426 613 C N 5.918 125.377 119.300 0.264 0.000 2.630 613 C HA 0.723 5.183 4.460 -0.000 0.000 0.346 613 C C -0.680 174.384 174.990 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 1.839 122.973 121.223 -0.149 0.000 2.349 614 L HA 0.607 4.947 4.340 -0.000 0.000 0.278 614 L C -1.481 175.242 176.870 -0.245 0.000 0.996 614 L CA -0.032 54.608 54.840 -0.333 0.000 0.825 614 L CB 0.312 41.902 42.059 -0.782 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 0.210 175.944 175.900 -0.276 0.000 1.094 615 Y CA -0.224 57.641 58.100 -0.393 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 1.517 124.403 122.820 0.110 0.000 2.465 616 A HA 0.674 4.994 4.320 -0.000 0.000 0.292 616 A C -1.105 176.565 177.584 0.144 0.000 1.041 616 A CA -0.706 51.373 52.037 0.070 0.000 0.718 616 A CB 0.908 19.975 19.000 0.112 0.000 1.266 616 A HN 0.589 nan 8.150 nan 0.000 0.403 617 T N 2.072 116.646 114.554 0.032 0.000 2.824 617 T HA 0.705 5.055 4.350 -0.000 0.000 0.280 617 T C -0.980 173.736 174.700 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 69.301 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 -0.112 175.784 175.800 0.159 0.000 1.116 618 F CA -1.835 56.252 58.000 0.144 0.000 0.930 618 F CB 1.026 40.102 39.000 0.128 0.000 1.146 618 F HN 0.522 nan 8.300 nan 0.000 0.447 619 F N 6.147 126.232 119.950 0.224 0.000 2.543 619 F HA 0.289 4.816 4.527 -0.000 0.000 0.375 619 F C -1.659 174.249 175.800 0.179 0.000 1.075 619 F CA -2.115 55.980 58.000 0.158 0.000 1.225 619 F CB 0.740 39.806 39.000 0.111 0.000 1.099 619 F HN 0.216 nan 8.300 nan 0.000 0.561 620 P HA 0.000 nan 4.420 nan 0.000 0.228 620 P C -0.059 177.305 177.300 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 31.327 31.700 -0.118 0.000 1.882 621 M N 1.148 121.002 119.600 0.422 0.000 2.250 621 M HA 0.191 4.671 4.480 -0.000 0.000 0.337 621 M C 0.299 176.800 176.300 0.335 0.000 1.161 621 M CA -0.058 55.544 55.300 0.503 0.000 1.088 621 M CB 0.555 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 4.286 127.268 122.820 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 18.847 19.000 0.154 0.000 0.991 622 A HN 1.103 nan 8.150 nan 0.000 0.502 623 H N 2.002 121.121 119.070 0.082 0.000 2.352 623 H HA -0.185 4.371 4.556 -0.000 0.000 0.299 623 H C 1.890 177.257 175.328 0.064 0.000 1.097 623 H CA 1.424 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 0.857 119.671 118.700 0.190 0.000 2.084 624 N HA -0.125 4.615 4.740 -0.000 0.000 0.190 624 N C 1.704 177.277 175.510 0.105 0.000 1.030 624 N CA 1.754 54.877 53.050 0.122 0.000 0.849 624 N CB -1.052 37.493 38.487 0.097 0.000 1.012 624 N HN 0.207 nan 8.380 nan 0.000 0.423 625 T N 1.424 116.049 114.554 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 2.003 64.162 62.100 0.098 0.000 1.150 625 T CB -0.683 68.251 68.868 0.110 0.000 0.864 625 T HN 0.515 nan 8.240 nan 0.000 0.427 626 A N 1.536 124.423 122.820 0.112 0.000 1.892 626 A HA -0.172 4.148 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 2.526 54.617 52.037 0.090 0.000 0.631 626 A CB -1.246 17.818 19.000 0.107 0.000 0.822 626 A HN 0.525 nan 8.150 nan 0.000 0.447 627 S N -1.236 114.497 115.700 0.056 0.000 2.370 627 S HA -0.168 4.302 4.470 -0.000 0.000 0.226 627 S C 1.999 176.621 174.600 0.037 0.000 1.033 627 S CA 2.346 60.570 58.200 0.039 0.000 1.011 627 S CB -0.804 62.421 63.200 0.043 0.000 0.852 627 S HN 0.562 nan 8.310 nan 0.000 0.457 628 T N 2.331 116.911 114.554 0.043 0.000 2.777 628 T HA 0.021 4.371 4.350 -0.000 0.000 0.266 628 T C 1.692 176.407 174.700 0.026 0.000 1.040 628 T CA 1.368 63.489 62.100 0.035 0.000 1.141 628 T CB -0.518 68.373 68.868 0.039 0.000 0.868 628 T HN 0.403 nan 8.240 nan 0.000 0.444 629 L N 1.326 122.566 121.223 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 1.855 56.704 54.840 0.016 0.000 0.752 629 L CB -0.489 41.577 42.059 0.013 0.000 0.899 629 L HN 0.275 nan 8.230 nan 0.000 0.433 630 E N -0.276 119.937 120.200 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 1.268 57.678 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 1.094 123.919 122.820 0.009 0.000 1.903 631 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 631 A C 2.263 179.845 177.584 -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 1.934 178.229 176.300 -0.009 0.000 1.067 632 M CA 1.359 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 -0.522 120.694 121.223 -0.011 0.000 2.549 633 L HA -0.122 4.218 4.340 -0.000 0.000 0.229 633 L C 2.261 179.108 176.870 -0.039 0.000 1.158 633 L CA 0.569 55.399 54.840 -0.017 0.000 0.842 633 L CB -0.547 41.506 42.059 -0.010 0.000 0.952 633 L HN 0.284 nan 8.230 nan 0.000 0.452 634 R N -0.338 120.131 120.500 -0.052 0.000 2.276 634 R HA 0.069 4.409 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 0.028 56.063 56.100 -0.109 0.000 1.024 634 R CB -0.017 30.217 30.300 -0.111 0.000 0.940 634 R HN 0.378 nan 8.270 nan 0.000 0.480 635 N N 1.704 120.387 118.700 -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 0.091 53.155 53.050 0.024 0.000 0.979 635 N CB 1.278 39.775 38.487 0.017 0.000 1.121 635 N HN 0.117 nan 8.380 nan 0.000 0.466 636 D N -0.453 120.049 120.400 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 55.579 54.000 0.175 0.000 0.847 636 D CB -0.296 40.514 40.800 0.015 0.000 0.942 636 D HN 0.603 nan 8.370 nan 0.000 0.467 637 T N -1.213 113.360 114.554 0.032 0.000 2.897 637 T HA -0.155 4.195 4.350 -0.000 0.000 0.271 637 T C 1.081 175.781 174.700 0.001 0.000 1.084 637 T CA 0.928 63.032 62.100 0.006 0.000 1.123 637 T CB -0.409 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 1.851 120.558 118.700 0.011 0.000 2.320 638 N HA 0.201 4.941 4.740 -0.000 0.000 0.237 638 N C -0.945 174.564 175.510 -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 1.310 121.720 120.400 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 0.391 54.407 54.000 0.027 0.000 0.881 639 D CB 1.055 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 0.458 4.798 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 -0.252 55.439 55.803 -0.186 0.000 0.896 640 Q CB 1.040 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 0.514 115.798 115.700 -0.694 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 -0.556 0.000 0.891 641 S CB 0.848 63.906 63.200 -0.237 0.000 1.105 641 S HN 0.415 nan 8.310 nan 0.000 0.468 642 F N 1.414 121.398 119.950 0.057 0.000 2.626 642 F HA 0.647 5.174 4.527 -0.000 0.000 0.311 642 F C -0.038 175.913 175.800 0.251 0.000 1.088 642 F CA -0.765 57.316 58.000 0.136 0.000 0.949 642 F CB 2.019 41.102 39.000 0.139 0.000 1.322 642 F HN 0.890 nan 8.300 nan 0.000 0.461 643 N N -0.219 118.705 118.700 0.373 0.000 2.229 643 N HA 0.290 5.030 4.740 -0.000 0.000 0.298 643 N C -2.068 173.303 175.510 -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 41.067 38.487 0.016 0.000 1.501 643 N HN 0.651 nan 8.380 nan 0.000 0.474 644 D N 0.359 120.216 120.400 -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 -0.196 53.350 54.000 -0.756 0.000 0.884 644 D CB 0.620 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 3.554 123.737 120.300 -0.195 0.000 2.128 645 Y HA -0.174 4.376 4.550 -0.000 0.000 0.284 645 Y C 1.696 177.498 175.900 -0.164 0.000 1.154 645 Y CA 1.431 59.447 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 0.360 121.536 121.223 -0.079 0.000 2.046 646 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 646 L C 1.267 177.982 176.870 -0.258 0.000 1.077 646 L CA 1.856 56.611 54.840 -0.143 0.000 0.747 646 L CB -0.858 41.170 42.059 -0.053 0.000 0.896 646 L HN 0.222 nan 8.230 nan 0.000 0.432 647 S N -0.300 115.233 115.700 -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 0.472 58.492 58.200 -0.301 0.000 1.317 647 S CB -1.456 61.496 63.200 -0.414 0.000 0.920 647 S HN 0.949 nan 8.310 nan 0.000 0.564 648 A N 0.514 123.250 122.820 -0.140 0.000 2.608 648 A HA 0.844 5.164 4.320 -0.000 0.000 0.292 648 A C -0.556 177.015 177.584 -0.021 0.000 1.066 648 A CA -0.056 51.930 52.037 -0.085 0.000 0.676 648 A CB 0.882 19.827 19.000 -0.091 0.000 1.277 648 A HN 1.547 nan 8.150 nan 0.000 0.413 649 A N 1.665 124.465 122.820 -0.034 0.000 2.260 649 A HA 0.619 4.939 4.320 -0.000 0.000 0.308 649 A C -0.284 177.358 177.584 0.096 0.000 1.254 649 A CA -0.606 51.409 52.037 -0.037 0.000 0.874 649 A CB -0.052 18.754 19.000 -0.323 0.000 1.153 649 A HN 0.671 nan 8.150 nan 0.000 0.527 650 N N 3.544 122.350 118.700 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 53.104 53.050 0.339 0.000 0.941 650 N CB 1.442 40.204 38.487 0.457 0.000 1.123 650 N HN 0.595 nan 8.380 nan 0.000 0.486 651 M N 2.327 122.148 119.600 0.369 0.000 2.530 651 M HA 0.513 4.993 4.480 -0.000 0.000 0.307 651 M C -0.895 175.458 176.300 0.088 0.000 1.161 651 M CA -0.634 54.754 55.300 0.148 0.000 0.903 651 M CB 2.124 34.818 32.600 0.156 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 -1.671 174.945 176.870 -0.423 0.000 0.988 652 L CA -0.684 54.035 54.840 -0.201 0.000 0.824 652 L CB 1.578 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 2.940 123.278 120.300 0.062 0.000 2.376 653 Y HA 0.470 5.020 4.550 -0.000 0.000 0.340 653 Y C -2.260 173.646 175.900 0.011 0.000 0.965 653 Y CA -2.926 55.199 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 0.233 nan 4.420 nan 0.000 0.271 654 P C -0.528 176.810 177.300 0.063 0.000 1.216 654 P CA 0.113 63.254 63.100 0.069 0.000 0.776 654 P CB 1.102 32.828 31.700 0.042 0.000 0.881 655 I N 4.295 124.881 120.570 0.026 0.000 2.495 655 I HA 0.252 4.422 4.170 -0.000 0.000 0.277 655 I C -2.241 173.873 176.117 -0.005 0.000 1.045 655 I CA -2.713 58.589 61.300 0.004 0.000 1.135 655 I CB 1.652 39.636 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 2.876 125.691 122.820 -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 0.811 52.844 52.037 -0.006 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 -0.889 117.808 118.700 -0.006 0.000 2.972 658 N HA -0.201 4.539 4.740 -0.000 0.000 0.225 658 N C 0.348 175.853 175.510 -0.007 0.000 0.883 658 N CA 0.718 53.766 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 53.268 52.037 -0.011 0.000 0.774 659 A CB 0.525 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 0.247 114.792 114.554 -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 1.111 119.810 118.700 -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 1.733 40.224 38.487 0.007 0.000 1.206 661 N HN -0.117 nan 8.380 nan 0.000 0.486 662 V N 4.642 124.586 119.914 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 0.076 0.000 1.012 662 V CA -1.379 60.956 62.300 0.060 0.000 0.832 662 V CB 1.292 33.145 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 -0.794 176.484 177.300 -0.036 0.000 1.326 663 P CA -0.503 62.598 63.100 0.001 0.000 0.844 663 P CB 1.934 33.633 31.700 -0.001 0.000 0.992 664 I N -1.032 119.500 120.570 -0.065 0.000 2.608 664 I HA 0.740 4.910 4.170 -0.000 0.000 0.295 664 I C -0.868 175.234 176.117 -0.025 0.000 1.049 664 I CA -0.672 60.547 61.300 -0.134 0.000 1.063 664 I CB 2.570 40.325 38.000 -0.407 0.000 1.248 664 I HN 0.043 nan 8.210 nan 0.000 0.424 665 S N 6.288 122.007 115.700 0.032 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 1.373 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 5.344 126.000 120.570 0.144 0.000 2.411 666 I HA 0.343 4.513 4.170 -0.000 0.000 0.284 666 I C -2.387 173.810 176.117 0.132 0.000 1.012 666 I CA -2.491 58.905 61.300 0.160 0.000 1.119 666 I CB 1.482 39.629 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 3.237 118.993 115.700 0.094 0.000 2.810 668 S HA -0.022 4.448 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 -0.406 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 3.206 123.738 120.500 0.053 0.000 2.829 669 R HA 0.433 4.773 4.340 -0.000 0.000 0.267 669 R C -1.095 175.079 176.300 -0.210 0.000 1.051 669 R CA -1.118 54.860 56.100 -0.204 0.000 0.927 669 R CB 0.376 30.349 30.300 -0.544 0.000 1.292 669 R HN 0.579 nan 8.270 nan 0.000 0.445 670 N N -0.131 118.349 118.700 -0.366 0.000 2.499 670 N HA 0.110 4.850 4.740 -0.000 0.000 0.281 670 N C -0.789 174.445 175.510 -0.460 0.000 1.098 670 N CA -0.232 52.691 53.050 -0.211 0.000 0.979 670 N CB 0.649 39.065 38.487 -0.117 0.000 1.121 670 N HN 0.595 nan 8.380 nan 0.000 0.466 671 W N 1.865 123.201 121.300 0.061 0.000 2.862 671 W HA 0.416 5.076 4.660 -0.000 0.000 0.376 671 W C 0.739 177.331 176.519 0.121 0.000 1.028 671 W CA -0.390 56.965 57.345 0.016 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 1.076 124.067 122.820 0.284 0.000 2.546 672 A HA 0.392 4.712 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 1.236 53.424 52.037 0.252 0.000 0.757 672 A CB -0.094 19.005 19.000 0.165 0.000 0.991 672 A HN 1.162 nan 8.150 nan 0.000 0.503 673 A N 1.539 124.514 122.820 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 0.758 52.963 52.037 0.280 0.000 1.253 673 A CB -2.607 16.494 19.000 0.168 0.000 1.122 673 A HN 2.015 nan 8.150 nan 0.000 0.934 674 F N 1.888 121.954 119.950 0.194 0.000 2.623 674 F HA 0.325 4.852 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 0.743 58.790 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 3.321 123.380 120.500 -0.734 0.000 2.195 675 R HA 0.416 4.756 4.340 -0.000 0.000 0.197 675 R C 0.771 176.563 176.300 -0.847 0.000 0.990 675 R CA 0.387 56.130 56.100 -0.596 0.000 1.048 675 R CB 0.072 30.099 30.300 -0.456 0.000 0.997 675 R HN 0.869 nan 8.270 nan 0.000 0.502 676 G N -0.148 107.640 108.800 -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 -1.848 172.529 174.900 -0.873 0.000 1.305 676 G CA -0.957 43.422 45.100 -1.201 0.000 0.910 676 G HN 0.033 nan 8.290 nan 0.000 0.518 677 W N -0.107 121.097 121.300 -0.160 0.000 2.706 677 W HA 0.748 5.408 4.660 -0.000 0.000 0.346 677 W C 0.126 176.597 176.519 -0.080 0.000 1.071 677 W CA -0.311 56.977 57.345 -0.095 0.000 1.206 677 W CB 2.446 31.893 29.460 -0.021 0.000 1.413 677 W HN 1.239 nan 8.180 nan 0.000 0.542 678 A N 2.929 125.828 122.820 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 -0.534 51.472 52.037 -0.051 0.000 0.697 678 A CB 1.476 20.355 19.000 -0.202 0.000 1.265 678 A HN 0.645 nan 8.150 nan 0.000 0.407 679 F N -0.600 119.208 119.950 -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 -0.389 57.405 58.000 -0.343 0.000 0.948 679 F CB 1.193 40.046 39.000 -0.244 0.000 1.315 679 F HN 0.678 nan 8.300 nan 0.000 0.447 680 T N -0.458 114.017 114.554 -0.131 0.000 2.618 680 T HA 0.634 4.984 4.350 -0.000 0.000 0.293 680 T C -1.683 173.260 174.700 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 70.604 68.868 -0.424 0.000 1.498 680 T HN 0.962 nan 8.240 nan 0.000 0.494 681 R N 0.250 120.939 120.500 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 31.277 30.300 0.037 0.000 1.195 681 R HN 0.639 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 0.410 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 1.579 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 2.067 116.609 114.554 -0.019 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 2.106 64.193 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 0.751 nan 8.240 nan 0.000 0.455 685 K N 1.620 121.992 120.400 -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 -0.215 0.000 1.049 685 K CA 1.565 57.798 56.287 -0.090 0.000 0.936 685 K CB -0.761 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 0.228 120.265 120.200 -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 0.581 30.092 29.700 -0.315 0.000 1.011 686 E HN 0.364 nan 8.360 nan 0.000 0.474 687 T N 3.458 118.062 114.554 0.083 0.000 2.977 687 T HA 0.227 4.577 4.350 -0.000 0.000 0.346 687 T C -2.483 172.129 174.700 -0.146 0.000 1.140 687 T CA -1.691 60.397 62.100 -0.019 0.000 1.040 687 T CB 1.073 69.875 68.868 -0.109 0.000 1.046 687 T HN -0.038 nan 8.240 nan 0.000 0.494 688 P HA 0.111 nan 4.420 nan 0.000 0.268 688 P C -0.009 177.028 177.300 -0.438 0.000 1.208 688 P CA -0.256 62.300 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 1.466 116.966 115.700 -0.333 0.000 2.499 689 S HA 0.215 4.685 4.470 -0.000 0.000 0.275 689 S C 0.937 175.420 174.600 -0.195 0.000 1.257 689 S CA -0.639 57.432 58.200 -0.214 0.000 1.050 689 S CB -0.618 62.507 63.200 -0.125 0.000 0.937 689 S HN 0.344 nan 8.310 nan 0.000 0.490 690 L N 4.421 125.546 121.223 -0.164 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 0.076 54.868 54.840 -0.080 0.000 0.900 690 L CB -0.205 41.828 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 0.146 4.106 3.960 -0.000 0.000 0.240 691 G HA3 0.146 4.106 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 0.107 58.306 58.200 -0.001 0.000 0.847 692 S CB 0.759 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 -0.235 108.599 108.800 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 -0.041 174.848 174.900 -0.018 0.000 1.124 693 G CA 1.102 46.311 45.100 0.182 0.000 0.776 693 G HN 1.028 nan 8.290 nan 0.000 0.547 694 Y N -0.431 119.636 120.300 -0.389 0.000 2.442 694 Y HA 0.433 4.983 4.550 -0.000 0.000 0.330 694 Y C -2.064 173.680 175.900 -0.262 0.000 1.100 694 Y CA -1.586 56.248 58.100 -0.442 0.000 1.034 694 Y CB 2.116 40.034 38.460 -0.904 0.000 1.285 694 Y HN -0.070 nan 8.280 nan 0.000 0.440 695 D N 8.019 127.986 120.400 -0.721 0.000 2.473 695 D HA 0.347 4.987 4.640 -0.000 0.000 0.226 695 D C -1.952 173.979 176.300 -0.616 0.000 1.089 695 D CA -2.507 51.193 54.000 -0.501 0.000 0.883 695 D CB 1.790 42.400 40.800 -0.316 0.000 1.029 695 D HN 0.323 nan 8.370 nan 0.000 0.517 696 P HA -0.139 nan 4.420 nan 0.000 0.219 696 P C 0.497 177.592 177.300 -0.342 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 0.763 176.709 175.900 0.077 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 2.445 122.734 120.300 -0.019 0.000 2.595 698 Y HA 0.282 4.832 4.550 -0.000 0.000 0.347 698 Y C 0.620 176.537 175.900 0.028 0.000 1.025 698 Y CA -1.381 56.716 58.100 -0.004 0.000 1.295 698 Y CB 0.243 38.657 38.460 -0.077 0.000 1.147 698 Y HN 0.109 nan 8.280 nan 0.000 0.515 699 T N 3.131 117.599 114.554 -0.143 0.000 3.350 699 T HA 0.302 4.652 4.350 -0.000 0.000 0.246 699 T C -1.082 173.529 174.700 -0.147 0.000 1.284 699 T CA -0.490 61.532 62.100 -0.130 0.000 1.329 699 T CB -0.779 68.074 68.868 -0.024 0.000 1.033 699 T HN 0.489 nan 8.240 nan 0.000 0.632 700 Y N 0.865 120.816 120.300 -0.582 0.000 2.519 700 Y HA 0.547 5.097 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 -0.793 57.044 58.100 -0.439 0.000 1.025 700 Y CB 2.042 40.253 38.460 -0.416 0.000 1.318 700 Y HN 0.226 nan 8.280 nan 0.000 0.452 701 S N 1.876 117.044 115.700 -0.886 0.000 2.952 701 S HA 0.472 4.942 4.470 -0.000 0.000 0.251 701 S C 0.396 174.605 174.600 -0.652 0.000 1.021 701 S CA -0.023 57.825 58.200 -0.586 0.000 1.067 701 S CB 0.085 63.119 63.200 -0.277 0.000 1.002 701 S HN 0.994 nan 8.310 nan 0.000 0.574 702 G N 2.054 110.023 108.800 -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 -0.524 0.000 1.052 702 G HN 0.697 nan 8.290 nan 0.000 0.542 703 S N -1.307 114.535 115.700 0.237 0.000 2.568 703 S HA 0.280 4.750 4.470 -0.000 0.000 0.282 703 S C -0.023 174.799 174.600 0.371 0.000 1.338 703 S CA -0.275 58.073 58.200 0.247 0.000 1.045 703 S CB 0.378 63.704 63.200 0.209 0.000 0.873 703 S HN 0.372 nan 8.310 nan 0.000 0.516 704 I N 4.312 125.034 120.570 0.253 0.000 2.503 704 I HA 0.291 4.461 4.170 -0.000 0.000 0.277 704 I C -1.843 174.361 176.117 0.145 0.000 1.078 704 I CA -2.356 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 0.009 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 0.008 120.382 120.300 0.123 0.000 2.256 706 Y HA -0.171 4.379 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 1.558 59.728 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 -0.823 120.433 121.223 0.055 0.000 2.388 707 L HA 0.067 4.407 4.340 -0.000 0.000 0.209 707 L C 1.646 178.472 176.870 -0.072 0.000 1.061 707 L CA 0.845 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 -0.883 119.448 120.400 -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 0.331 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 0.231 108.647 108.800 -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 0.672 175.059 174.900 -0.854 0.000 0.984 709 G CA 0.456 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 -0.358 113.757 114.554 -0.732 0.000 3.624 710 T HA 0.541 4.891 4.350 -0.000 0.000 0.231 710 T C 0.599 175.292 174.700 -0.012 0.000 0.865 710 T CA -0.538 61.165 62.100 -0.662 0.000 0.926 710 T CB -0.655 67.595 68.868 -1.030 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 0.478 0.000 1.103 711 F CA -1.066 57.104 58.000 0.283 0.000 1.286 711 F CB 0.014 39.086 39.000 0.120 0.000 1.105 711 F HN 0.513 nan 8.300 nan 0.000 0.583 712 Y N -0.489 120.094 120.300 0.471 0.000 2.890 712 Y HA 0.500 5.050 4.550 -0.000 0.000 0.266 712 Y C -0.329 175.764 175.900 0.322 0.000 1.090 712 Y CA -0.420 57.912 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 0.859 122.032 121.223 -0.084 0.000 3.066 713 L HA 0.335 4.675 4.340 -0.000 0.000 0.265 713 L C 0.914 177.682 176.870 -0.169 0.000 1.232 713 L CA -0.100 54.593 54.840 -0.245 0.000 1.031 713 L CB 0.115 41.969 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 1.044 54.247 53.050 0.255 0.000 0.883 714 N CB -0.098 38.192 38.487 -0.328 0.000 0.965 714 N HN 0.591 nan 8.380 nan 0.000 0.438 715 H N -0.690 118.589 119.070 0.349 0.000 2.556 715 H HA 0.105 4.661 4.556 -0.000 0.000 0.268 715 H C 1.079 176.447 175.328 0.067 0.000 0.996 715 H CA 1.169 57.264 56.048 0.079 0.000 1.157 715 H CB -0.484 29.105 29.762 -0.287 0.000 1.355 715 H HN 0.130 nan 8.280 nan 0.000 0.597 716 T N -2.401 112.034 114.554 -0.198 0.000 3.107 716 T HA 0.114 4.464 4.350 -0.000 0.000 0.249 716 T C 0.252 174.872 174.700 -0.133 0.000 1.096 716 T CA -0.519 61.466 62.100 -0.192 0.000 1.012 716 T CB -0.656 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 1.581 121.606 119.950 0.125 0.000 2.412 717 F HA 0.521 5.048 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 -0.721 57.351 58.000 0.120 0.000 1.196 717 F CB 1.507 40.655 39.000 0.247 0.000 1.144 717 F HN -0.122 nan 8.300 nan 0.000 0.541 718 K N 1.566 122.043 120.400 0.130 0.000 2.225 718 K HA 0.161 4.481 4.320 -0.000 0.000 0.204 718 K C -0.389 176.189 176.600 -0.038 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 -1.097 119.289 120.400 -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 34.606 32.500 -0.074 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 1.537 32.977 31.823 -0.638 0.000 1.010 720 V HN 0.973 nan 8.190 nan 0.000 0.424 721 A N 5.608 128.242 122.820 -0.310 0.000 2.304 721 A HA 0.924 5.244 4.320 -0.000 0.000 0.314 721 A C -0.849 176.598 177.584 -0.228 0.000 1.187 721 A CA -0.435 51.502 52.037 -0.167 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 2.291 122.800 120.570 -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 2.380 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 4.806 119.271 114.554 -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 1.047 69.910 68.868 -0.008 0.000 1.005 723 T HN 0.036 nan 8.240 nan 0.000 0.442 724 F N 2.002 122.006 119.950 0.089 0.000 2.399 724 F HA 0.354 4.881 4.527 -0.000 0.000 0.334 724 F C 0.861 176.728 175.800 0.112 0.000 1.097 724 F CA -0.493 57.552 58.000 0.075 0.000 1.076 724 F CB 0.861 39.917 39.000 0.092 0.000 1.162 724 F HN 0.611 nan 8.300 nan 0.000 0.495 725 D N 2.517 123.113 120.400 0.328 0.000 2.701 725 D HA -0.289 4.351 4.640 -0.000 0.000 0.235 725 D C 1.266 177.652 176.300 0.144 0.000 1.155 725 D CA 1.340 55.477 54.000 0.228 0.000 0.649 725 D CB -1.279 39.668 40.800 0.244 0.000 1.050 725 D HN 0.991 nan 8.370 nan 0.000 0.425 726 S N -2.288 113.477 115.700 0.108 0.000 3.017 726 S HA -0.376 4.094 4.470 -0.000 0.000 0.283 726 S C 1.538 176.181 174.600 0.072 0.000 1.304 726 S CA 2.950 61.194 58.200 0.072 0.000 1.224 726 S CB -1.694 61.543 63.200 0.061 0.000 1.480 726 S HN 1.046 nan 8.310 nan 0.000 0.698 727 S N -2.399 113.360 115.700 0.099 0.000 2.918 727 S HA 0.495 4.965 4.470 -0.000 0.000 0.264 727 S C 0.213 174.877 174.600 0.106 0.000 1.078 727 S CA 0.583 58.835 58.200 0.086 0.000 0.918 727 S CB 0.077 63.322 63.200 0.076 0.000 0.882 727 S HN 1.027 nan 8.310 nan 0.000 0.466 728 V N 3.284 123.293 119.914 0.157 0.000 2.455 728 V HA 0.506 4.626 4.120 -0.000 0.000 0.273 728 V C 0.269 176.508 176.094 0.241 0.000 1.045 728 V CA -0.284 62.133 62.300 0.194 0.000 0.976 728 V CB 1.008 32.970 31.823 0.232 0.000 0.993 728 V HN 0.464 nan 8.190 nan 0.000 0.475 729 S N 5.142 120.955 115.700 0.187 0.000 2.465 729 S HA 0.386 4.856 4.470 -0.000 0.000 0.279 729 S C -0.825 173.943 174.600 0.280 0.000 1.201 729 S CA -0.556 57.757 58.200 0.189 0.000 1.053 729 S CB 0.135 63.385 63.200 0.084 0.000 0.953 729 S HN 0.667 nan 8.310 nan 0.000 0.488 730 W N 7.483 128.912 121.300 0.215 0.000 2.478 730 W HA 0.491 5.151 4.660 -0.000 0.000 0.318 730 W C -2.034 174.653 176.519 0.280 0.000 1.062 730 W CA -2.196 55.338 57.345 0.315 0.000 1.210 730 W CB 1.513 31.314 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 1.060 63.482 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 1.650 110.327 108.800 -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 -0.061 118.582 118.700 -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 2.480 55.474 53.050 -0.092 0.000 0.812 733 N CB -0.756 37.661 38.487 -0.117 0.000 1.148 733 N HN 1.358 nan 8.380 nan 0.000 0.572 734 D N -1.825 118.524 120.400 -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 1.157 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 -0.361 120.077 120.500 -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 0.748 56.800 56.100 -0.080 0.000 0.948 735 R CB -0.264 29.978 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 1.995 178.780 176.870 -0.142 0.000 1.122 736 L CA -0.442 54.313 54.840 -0.141 0.000 0.804 736 L CB 0.485 42.395 42.059 -0.249 0.000 1.150 736 L HN 0.009 nan 8.230 nan 0.000 0.457 737 L N 0.547 121.658 121.223 -0.187 0.000 2.127 737 L HA -0.137 4.203 4.340 -0.000 0.000 0.211 737 L C 1.258 178.050 176.870 -0.130 0.000 1.089 737 L CA 1.534 56.219 54.840 -0.257 0.000 0.757 737 L CB -0.484 41.194 42.059 -0.636 0.000 0.899 737 L HN 0.844 nan 8.230 nan 0.000 0.434 738 T N -4.429 110.056 114.554 -0.114 0.000 3.466 738 T HA 0.281 4.631 4.350 -0.000 0.000 0.297 738 T C -1.630 173.001 174.700 -0.114 0.000 1.640 738 T CA -1.770 60.300 62.100 -0.049 0.000 1.631 738 T CB 0.663 69.535 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 1.304 64.319 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 -0.022 118.617 118.700 -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 0.672 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 -1.601 118.503 120.200 -0.160 0.000 2.417 741 E HA 0.240 4.590 4.350 -0.000 0.000 0.280 741 E C -1.524 174.933 176.600 -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 1.207 121.111 119.950 -0.076 0.000 2.375 742 F HA 0.279 4.806 4.527 -0.000 0.000 0.362 742 F C 0.241 175.950 175.800 -0.152 0.000 1.129 742 F CA -0.276 57.695 58.000 -0.049 0.000 1.154 742 F CB 1.177 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 4.091 124.297 120.200 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 -0.145 56.218 56.400 -0.062 0.000 0.819 743 E CB 1.052 30.750 29.700 -0.002 0.000 1.076 743 E HN 0.666 nan 8.360 nan 0.000 0.396 744 I N 3.544 123.867 120.570 -0.413 0.000 2.353 744 I HA -0.176 3.994 4.170 -0.000 0.000 0.248 744 I C 0.607 176.588 176.117 -0.227 0.000 1.119 744 I CA 1.241 62.076 61.300 -0.775 0.000 1.417 744 I CB 0.040 37.387 38.000 -1.089 0.000 1.078 744 I HN 0.389 nan 8.210 nan 0.000 0.421 745 K N -0.179 120.205 120.400 -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 0.466 121.044 120.500 0.131 0.000 2.740 746 R HA 0.562 4.902 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 -0.590 55.572 56.100 0.102 0.000 0.918 746 R CB 2.123 32.486 30.300 0.106 0.000 1.175 746 R HN 0.896 nan 8.270 nan 0.000 0.464 747 S N 1.805 117.548 115.700 0.071 0.000 2.461 747 S HA 0.408 4.878 4.470 -0.000 0.000 0.322 747 S C 1.165 175.792 174.600 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 1.324 121.267 119.914 0.049 0.000 0.564 748 V HA -0.522 3.598 4.120 -0.000 0.000 0.092 748 V C 2.369 178.472 176.094 0.015 0.000 1.994 748 V CA 3.185 65.504 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 0.371 120.776 120.400 0.008 0.000 2.228 749 D HA 0.112 4.752 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 2.062 56.057 54.000 -0.009 0.000 0.864 749 D CB -0.576 40.219 40.800 -0.008 0.000 0.928 749 D HN 1.226 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 0.003 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 1.750 58.174 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 -0.438 108.370 108.800 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 1.227 176.253 174.900 0.209 0.000 1.113 752 G CA 1.192 46.319 45.100 0.046 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 1.037 176.964 175.900 0.045 0.000 1.174 753 Y CA -1.116 57.007 58.100 0.038 0.000 1.295 753 Y CB -0.415 38.065 38.460 0.034 0.000 1.062 753 Y HN 0.094 nan 8.280 nan 0.000 0.522 754 N N -0.534 118.282 118.700 0.194 0.000 2.434 754 N HA 0.386 5.126 4.740 -0.000 0.000 0.266 754 N C -0.431 175.121 175.510 0.069 0.000 1.223 754 N CA -0.115 53.010 53.050 0.126 0.000 0.972 754 N CB 2.209 40.767 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 -0.437 175.576 176.094 -0.135 0.000 1.310 755 V CA 0.027 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 53.973 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 1.699 nan 8.150 nan 0.000 0.653 757 Q N -4.395 115.403 119.800 -0.004 0.000 2.502 757 Q HA -0.260 4.080 4.340 -0.000 0.000 0.273 757 Q C 0.309 176.348 176.000 0.065 0.000 1.127 757 Q CA 1.207 57.028 55.803 0.029 0.000 0.952 757 Q CB -2.744 26.004 28.738 0.018 0.000 1.333 757 Q HN 2.176 nan 8.270 nan 0.000 0.494 758 C N -2.375 116.985 119.300 0.100 0.000 3.311 758 C HA 0.598 5.058 4.460 -0.000 0.000 0.366 758 C C 1.195 176.309 174.990 0.207 0.000 1.694 758 C CA -0.196 58.926 59.018 0.174 0.000 1.244 758 C CB 0.900 28.768 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 0.146 175.844 175.510 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 1.652 121.417 119.600 0.275 0.000 2.242 760 M HA 0.098 4.578 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 -0.305 55.101 55.300 0.176 0.000 1.160 760 M CB 0.940 33.548 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 0.747 175.521 174.700 0.122 0.000 1.004 761 T CA -0.635 61.546 62.100 0.136 0.000 1.043 761 T CB 1.147 70.090 68.868 0.126 0.000 1.013 761 T HN 0.811 nan 8.240 nan 0.000 0.518 762 K N 0.557 121.003 120.400 0.077 0.000 2.057 762 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 762 K C 1.854 178.510 176.600 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 0.175 120.595 120.400 0.033 0.000 2.106 763 D HA -0.233 4.407 4.640 -0.000 0.000 0.191 763 D C 1.487 177.816 176.300 0.048 0.000 0.997 763 D CA 0.922 54.930 54.000 0.013 0.000 0.834 763 D CB -0.280 40.508 40.800 -0.021 0.000 0.956 763 D HN 0.366 nan 8.370 nan 0.000 0.448 764 W N 0.377 121.615 121.300 -0.103 0.000 2.358 764 W HA -0.236 4.424 4.660 -0.000 0.000 0.303 764 W C 2.127 178.501 176.519 -0.243 0.000 1.208 764 W CA 0.508 57.743 57.345 -0.184 0.000 1.274 764 W CB -0.544 28.791 29.460 -0.209 0.000 1.138 764 W HN -0.072 nan 8.180 nan 0.000 0.515 765 F N 1.268 121.077 119.950 -0.236 0.000 2.161 765 F HA -0.256 4.271 4.527 -0.000 0.000 0.300 765 F C 2.273 177.866 175.800 -0.344 0.000 1.089 765 F CA 1.893 59.669 58.000 -0.373 0.000 1.282 765 F CB -0.941 37.862 39.000 -0.328 0.000 1.010 765 F HN -0.136 nan 8.300 nan 0.000 0.485 766 L N -0.282 120.855 121.223 -0.144 0.000 2.027 766 L HA -0.123 4.217 4.340 -0.000 0.000 0.206 766 L C 2.168 178.808 176.870 -0.382 0.000 1.074 766 L CA 1.704 56.489 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 -0.278 119.309 119.914 -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 2.245 177.756 176.000 -0.815 0.000 0.978 768 Q CA 1.331 56.430 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 -0.021 119.167 119.600 -0.686 0.000 2.132 769 M HA -0.081 4.399 4.480 -0.000 0.000 0.263 769 M C 2.298 178.470 176.300 -0.213 0.000 1.065 769 M CA 1.135 56.246 55.300 -0.316 0.000 1.122 769 M CB -0.892 31.504 32.600 -0.341 0.000 1.365 769 M HN 0.155 nan 8.290 nan 0.000 0.411 770 L N -0.322 120.721 121.223 -0.299 0.000 2.044 770 L HA -0.105 4.235 4.340 -0.000 0.000 0.205 770 L C 2.779 179.535 176.870 -0.190 0.000 1.075 770 L CA 1.151 55.861 54.840 -0.216 0.000 0.747 770 L CB -0.990 40.951 42.059 -0.197 0.000 0.903 770 L HN 0.239 nan 8.230 nan 0.000 0.435 771 A N 0.061 122.722 122.820 -0.264 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 -0.310 0.000 1.176 771 A CA 2.069 53.959 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 -2.109 116.302 118.700 -0.481 0.000 2.305 772 N HA -0.016 4.724 4.740 -0.000 0.000 0.179 772 N C 0.472 175.474 175.510 -0.845 0.000 1.019 772 N CA 1.493 54.077 53.050 -0.777 0.000 0.869 772 N CB 0.049 37.800 38.487 -1.228 0.000 1.000 772 N HN 0.675 nan 8.380 nan 0.000 0.431 773 Y N -0.791 119.435 120.300 -0.122 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 57.387 58.100 -0.121 0.000 1.228 773 Y CB 0.106 38.469 38.460 -0.162 0.000 1.310 773 Y HN -0.189 nan 8.280 nan 0.000 0.549 774 N N 0.657 119.349 118.700 -0.014 0.000 2.800 774 N HA -0.193 4.547 4.740 -0.000 0.000 0.250 774 N C -0.724 174.753 175.510 -0.055 0.000 1.078 774 N CA 0.821 53.861 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 -0.626 119.880 120.570 -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 39.260 38.000 -0.401 0.000 1.386 775 I HN 0.235 nan 8.210 nan 0.000 0.476 776 G N 3.976 112.507 108.800 -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 44.452 45.100 -0.726 0.000 0.882 776 G HN 0.458 nan 8.290 nan 0.000 0.364 777 Y N 1.415 121.592 120.300 -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 38.852 38.460 -0.077 0.000 1.027 777 Y HN 0.244 nan 8.280 nan 0.000 0.551 778 Q N 0.069 119.874 119.800 0.008 0.000 2.233 778 Q HA 0.432 4.772 4.340 -0.000 0.000 0.340 778 Q C 0.080 176.097 176.000 0.028 0.000 0.899 778 Q CA -0.040 55.782 55.803 0.031 0.000 1.139 778 Q CB 0.951 29.732 28.738 0.073 0.000 1.273 778 Q HN 0.374 nan 8.270 nan 0.000 0.431 779 G N 0.598 109.334 108.800 -0.106 0.000 2.690 779 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.686 779 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.686 779 G C -1.118 173.695 174.900 -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 1.233 121.247 119.950 0.107 0.000 2.421 780 F HA 0.826 5.353 4.527 -0.000 0.000 0.337 780 F C 0.708 176.555 175.800 0.079 0.000 1.105 780 F CA -0.237 57.760 58.000 -0.006 0.000 1.049 780 F CB 1.628 40.712 39.000 0.140 0.000 1.139 780 F HN 0.748 nan 8.300 nan 0.000 0.479 781 Y N -0.200 120.180 120.300 0.134 0.000 2.689 781 Y HA 0.623 5.173 4.550 -0.000 0.000 0.333 781 Y C -1.124 174.639 175.900 -0.230 0.000 1.208 781 Y CA -2.127 55.962 58.100 -0.018 0.000 1.055 781 Y CB 0.452 38.888 38.460 -0.040 0.000 1.304 781 Y HN 0.345 nan 8.280 nan 0.000 0.455 782 I N 4.308 124.806 120.570 -0.120 0.000 2.598 782 I HA 0.171 4.341 4.170 -0.000 0.000 0.284 782 I C -2.022 173.853 176.117 -0.404 0.000 1.140 782 I CA -1.475 59.515 61.300 -0.517 0.000 1.420 782 I CB 0.349 38.167 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 -0.221 176.854 177.300 -0.376 0.000 1.215 783 P CA -0.208 62.510 63.100 -0.636 0.000 0.780 783 P CB 0.308 31.254 31.700 -1.257 0.000 0.898 784 E N 0.969 120.991 120.200 -0.297 0.000 2.415 784 E HA 0.092 4.442 4.350 -0.000 0.000 0.263 784 E C 1.337 177.737 176.600 -0.334 0.000 0.995 784 E CA 0.230 56.467 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 0.439 nan 8.360 nan 0.000 0.449 785 S N 1.016 116.633 115.700 -0.138 0.000 2.389 785 S HA -0.318 4.152 4.470 -0.000 0.000 0.231 785 S C 1.954 176.533 174.600 -0.035 0.000 1.052 785 S CA 2.091 60.260 58.200 -0.051 0.000 1.053 785 S CB -0.962 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 1.798 122.112 120.300 0.024 0.000 2.497 786 Y HA 0.184 4.734 4.550 -0.000 0.000 0.292 786 Y C 1.639 177.578 175.900 0.065 0.000 1.137 786 Y CA 0.527 58.648 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 -0.314 119.822 120.400 -0.440 0.000 2.352 787 K HA 0.014 4.334 4.320 -0.000 0.000 0.194 787 K C -0.212 176.464 176.600 0.127 0.000 1.038 787 K CA 0.589 56.790 56.287 -0.143 0.000 1.023 787 K CB 0.241 32.625 32.500 -0.193 0.000 0.840 787 K HN 0.112 nan 8.250 nan 0.000 0.519 788 D N 2.303 122.739 120.400 0.059 0.000 2.518 788 D HA 0.056 4.696 4.640 -0.000 0.000 0.230 788 D C -0.140 176.232 176.300 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 41.144 40.800 0.043 0.000 1.011 788 D HN -0.006 nan 8.370 nan 0.000 0.517 789 R N 1.937 122.514 120.500 0.127 0.000 2.519 789 R HA 0.274 4.614 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 55.357 56.100 0.065 0.000 1.120 789 R CB -0.111 30.231 30.300 0.069 0.000 1.333 789 R HN 0.289 nan 8.270 nan 0.000 0.587 790 M N 0.127 119.668 119.600 -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 2.042 57.167 55.300 -0.291 0.000 1.102 790 M CB -0.033 32.234 32.600 -0.554 0.000 1.336 790 M HN 0.446 nan 8.290 nan 0.000 0.404 791 Y N -0.238 120.093 120.300 0.052 0.000 2.532 791 Y HA 0.299 4.849 4.550 -0.000 0.000 0.283 791 Y C 0.833 176.783 175.900 0.083 0.000 1.181 791 Y CA -0.512 57.630 58.100 0.070 0.000 1.256 791 Y CB -0.392 38.106 38.460 0.063 0.000 1.112 791 Y HN 0.025 nan 8.280 nan 0.000 0.521 792 S N 0.050 115.864 115.700 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 0.243 0.000 1.258 792 S CA -0.677 57.644 58.200 0.202 0.000 0.990 792 S CB 0.588 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 1.548 121.577 119.950 0.131 0.000 2.022 793 F HA -0.053 4.474 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 1.417 59.508 58.000 0.153 0.000 1.177 793 F CB -0.812 38.219 39.000 0.052 0.000 0.982 793 F HN 0.665 nan 8.300 nan 0.000 0.473 794 F N 1.557 121.399 119.950 -0.180 0.000 2.043 794 F HA -0.270 4.257 4.527 -0.000 0.000 0.297 794 F C 2.840 178.575 175.800 -0.108 0.000 1.121 794 F CA 2.563 60.393 58.000 -0.283 0.000 1.199 794 F CB -0.718 38.222 39.000 -0.099 0.000 0.968 794 F HN 0.059 nan 8.300 nan 0.000 0.478 795 R N 0.504 121.067 120.500 0.105 0.000 2.170 795 R HA -0.192 4.148 4.340 -0.000 0.000 0.242 795 R C 1.341 177.594 176.300 -0.077 0.000 1.145 795 R CA 2.093 58.205 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 -0.660 118.004 118.700 -0.060 0.000 2.236 796 N HA -0.040 4.700 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 -0.006 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 3.134 122.872 119.950 -0.354 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 57.612 58.000 -0.335 0.000 1.188 797 F CB 0.546 39.129 39.000 -0.695 0.000 1.105 797 F HN -0.176 nan 8.300 nan 0.000 0.536 798 Q N 8.619 128.101 119.800 -0.530 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 -0.475 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 0.366 nan 4.420 nan 0.000 0.285 799 P C -0.525 176.703 177.300 -0.121 0.000 1.259 799 P CA -0.235 62.671 63.100 -0.324 0.000 0.794 799 P CB 1.008 32.515 31.700 -0.322 0.000 0.940 800 M N 1.119 120.717 119.600 -0.003 0.000 2.572 800 M HA 0.531 5.011 4.480 -0.000 0.000 0.299 800 M C -0.311 176.173 176.300 0.305 0.000 1.205 800 M CA -0.311 55.047 55.300 0.097 0.000 0.876 800 M CB 2.603 35.179 32.600 -0.041 0.000 1.728 800 M HN 0.155 nan 8.290 nan 0.000 0.458 801 S N 0.384 116.325 115.700 0.402 0.000 2.556 801 S HA 0.874 5.344 4.470 -0.000 0.000 0.271 801 S C -1.500 173.182 174.600 0.137 0.000 1.135 801 S CA -0.936 57.452 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 0.765 121.147 120.500 -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 30.428 30.300 -0.928 0.000 1.263 802 R HN 0.417 nan 8.270 nan 0.000 0.475 803 Q N 0.372 119.999 119.800 -0.290 0.000 2.377 803 Q HA 0.682 5.022 4.340 -0.000 0.000 0.271 803 Q C -1.124 174.741 176.000 -0.224 0.000 1.077 803 Q CA -0.752 54.920 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 -1.745 118.058 119.914 -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 -1.374 60.835 62.300 -0.152 0.000 1.007 804 V CB 1.393 33.130 31.823 -0.142 0.000 1.045 804 V HN 0.587 nan 8.190 nan 0.000 0.432 805 V N 0.053 119.889 119.914 -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 0.295 62.471 62.300 -0.206 0.000 1.161 805 V CB 0.209 31.897 31.823 -0.224 0.000 0.916 805 V HN 1.045 nan 8.190 nan 0.000 0.490 806 D N 3.746 124.024 120.400 -0.205 0.000 2.393 806 D HA 0.068 4.708 4.640 -0.000 0.000 0.232 806 D C 1.111 177.259 176.300 -0.254 0.000 1.192 806 D CA -0.350 53.541 54.000 -0.181 0.000 0.882 806 D CB 0.992 41.725 40.800 -0.111 0.000 1.038 806 D HN 0.782 nan 8.370 nan 0.000 0.499 807 D N 1.592 121.732 120.400 -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 0.955 54.496 54.000 -0.764 0.000 0.871 807 D CB -0.311 39.953 40.800 -0.894 0.000 0.925 807 D HN 0.455 nan 8.370 nan 0.000 0.485 808 T N -4.213 110.235 114.554 -0.176 0.000 3.069 808 T HA 0.356 4.706 4.350 -0.000 0.000 0.252 808 T C 1.539 176.213 174.700 -0.044 0.000 1.053 808 T CA 0.745 62.796 62.100 -0.082 0.000 0.964 808 T CB 0.307 69.138 68.868 -0.061 0.000 1.005 808 T HN 0.323 nan 8.240 nan 0.000 0.532 809 K N 0.050 120.429 120.400 -0.035 0.000 2.502 809 K HA 0.332 4.652 4.320 -0.000 0.000 0.211 809 K C 0.227 176.858 176.600 0.052 0.000 1.259 809 K CA -0.235 56.051 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 3.256 123.502 120.300 -0.090 0.000 2.585 810 Y HA 0.369 4.919 4.550 -0.000 0.000 0.354 810 Y C 1.681 177.573 175.900 -0.014 0.000 1.024 810 Y CA -0.199 57.856 58.100 -0.075 0.000 1.321 810 Y CB 0.355 38.730 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 1.061 177.428 176.600 -0.389 0.000 1.051 811 K CA 2.526 58.647 56.287 -0.278 0.000 0.929 811 K CB -0.728 31.656 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 -0.823 0.000 2.319 812 D HA 0.057 4.697 4.640 -0.000 0.000 0.230 812 D C 0.097 176.204 176.300 -0.322 0.000 1.094 812 D CA -0.390 53.278 54.000 -0.553 0.000 0.856 812 D CB -0.622 39.921 40.800 -0.428 0.000 0.915 812 D HN 0.555 nan 8.370 nan 0.000 0.517 813 Y N 2.351 122.425 120.300 -0.376 0.000 2.904 813 Y HA -0.077 4.473 4.550 -0.000 0.000 0.336 813 Y C 0.073 176.050 175.900 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 5.425 124.845 119.800 -0.633 0.000 2.274 814 Q HA 0.134 4.474 4.340 -0.000 0.000 0.268 814 Q C -1.391 174.196 176.000 -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 0.345 4.685 4.340 -0.000 0.000 0.230 815 Q C -1.021 174.967 176.000 -0.020 0.000 1.180 815 Q CA -0.059 55.649 55.803 -0.158 0.000 0.914 815 Q CB 0.257 29.047 28.738 0.087 0.000 1.408 815 Q HN 0.308 nan 8.270 nan 0.000 0.520 816 V N 3.532 123.451 119.914 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 1.284 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 2.593 111.389 108.800 -0.007 0.000 2.535 817 G HA2 0.480 4.440 3.960 -0.000 0.000 0.303 817 G HA3 0.480 4.440 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 -0.674 119.801 120.570 -0.158 0.000 2.194 818 I HA -0.200 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 1.166 62.364 61.300 -0.170 0.000 1.355 818 I CB -0.805 37.123 38.000 -0.120 0.000 1.046 818 I HN 0.335 nan 8.210 nan 0.000 0.413 819 L N -0.130 120.949 121.223 -0.241 0.000 2.197 819 L HA -0.249 4.091 4.340 -0.000 0.000 0.215 819 L C 1.748 178.355 176.870 -0.440 0.000 1.095 819 L CA 1.830 56.448 54.840 -0.369 0.000 0.764 819 L CB -0.794 40.931 42.059 -0.558 0.000 0.897 819 L HN 0.494 nan 8.230 nan 0.000 0.436 820 H N -2.760 116.333 119.070 0.039 0.000 2.923 820 H HA 0.218 4.774 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 0.478 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 2.146 121.934 119.800 -0.019 0.000 2.261 821 Q HA 0.174 4.514 4.340 -0.000 0.000 0.252 821 Q C -0.351 175.661 176.000 0.020 0.000 0.915 821 Q CA -0.535 55.175 55.803 -0.155 0.000 0.915 821 Q CB 1.077 29.532 28.738 -0.473 0.000 1.204 821 Q HN 0.513 nan 8.270 nan 0.000 0.421 822 H N 0.975 120.076 119.070 0.051 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 0.075 0.000 1.552 822 H HN 0.488 nan 8.280 nan 0.000 0.522 823 N N 3.555 122.404 118.700 0.247 0.000 2.616 823 N HA 0.096 4.836 4.740 -0.000 0.000 0.281 823 N C -0.564 175.124 175.510 0.297 0.000 1.145 823 N CA -0.244 52.923 53.050 0.195 0.000 0.919 823 N CB 0.872 39.347 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 -0.575 175.178 175.510 0.405 0.000 0.969 824 N CA 1.071 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 -0.567 115.310 115.700 0.296 0.000 2.558 825 S HA 0.363 4.833 4.470 -0.000 0.000 0.293 825 S C 1.623 176.217 174.600 -0.009 0.000 1.292 825 S CA 1.231 59.517 58.200 0.142 0.000 1.063 825 S CB 1.294 64.543 63.200 0.081 0.000 0.831 825 S HN 1.189 nan 8.310 nan 0.000 0.499 826 G N 2.252 110.946 108.800 -0.177 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 0.193 174.654 174.900 -0.731 0.000 0.988 826 G CA 0.403 45.201 45.100 -0.503 0.000 0.625 826 G HN 0.864 nan 8.290 nan 0.000 0.527 827 F N -0.426 119.538 119.950 0.023 0.000 2.767 827 F HA 0.658 5.185 4.527 -0.000 0.000 0.323 827 F C 0.817 176.620 175.800 0.005 0.000 1.091 827 F CA -0.241 57.768 58.000 0.015 0.000 1.192 827 F CB 1.133 40.149 39.000 0.026 0.000 1.056 827 F HN 0.167 nan 8.300 nan 0.000 0.571 828 V N -0.402 119.592 119.914 0.134 0.000 3.040 828 V HA 0.767 4.887 4.120 -0.000 0.000 0.312 828 V C 0.258 176.370 176.094 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 0.788 109.582 108.800 -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 -1.257 173.680 174.900 0.061 0.000 1.216 829 G CA 0.011 45.103 45.100 -0.014 0.000 0.845 829 G HN 0.650 nan 8.290 nan 0.000 0.568 830 Y N 1.410 121.673 120.300 -0.061 0.000 2.367 830 Y HA 0.374 4.924 4.550 -0.000 0.000 0.342 830 Y C 1.039 176.932 175.900 -0.013 0.000 0.979 830 Y CA -1.010 57.067 58.100 -0.038 0.000 1.161 830 Y CB 0.383 38.812 38.460 -0.052 0.000 1.155 830 Y HN 0.523 nan 8.280 nan 0.000 0.503 831 L N 4.048 125.009 121.223 -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 -1.944 39.719 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 -2.591 174.919 177.584 -0.124 0.000 1.048 832 A CA -0.639 51.379 52.037 -0.032 0.000 0.661 832 A CB 0.934 19.950 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 0.492 177.668 177.300 -0.208 0.000 1.668 833 P CA 0.544 63.452 63.100 -0.320 0.000 0.898 833 P CB -0.670 30.790 31.700 -0.401 0.000 1.637 834 T N -4.043 110.420 114.554 -0.150 0.000 2.902 834 T HA 0.401 4.751 4.350 -0.000 0.000 0.287 834 T C 0.609 175.223 174.700 -0.143 0.000 1.048 834 T CA -1.023 60.990 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 1.663 121.167 119.600 -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 -0.585 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 2.940 123.392 120.500 -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 0.030 56.091 56.100 -0.066 0.000 1.128 836 R CB -0.005 30.272 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 0.814 30.450 29.700 -0.106 0.000 1.408 837 E HN 0.839 nan 8.360 nan 0.000 0.457 838 G N 0.522 109.223 108.800 -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 -1.153 173.622 174.900 -0.208 0.000 1.314 838 G CA 0.022 45.011 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 30.242 28.738 -0.114 0.000 1.436 839 Q HN 2.274 nan 8.270 nan 0.000 0.395 840 A N 1.308 124.081 122.820 -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 19.075 19.000 0.217 0.000 0.995 840 A HN 0.644 nan 8.150 nan 0.000 0.506 841 Y N 0.396 120.749 120.300 0.089 0.000 2.554 841 Y HA 0.338 4.888 4.550 -0.000 0.000 0.338 841 Y C -2.452 173.520 175.900 0.120 0.000 1.247 841 Y CA -1.262 56.872 58.100 0.056 0.000 1.255 841 Y CB 1.326 39.757 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 -0.632 176.806 177.300 0.230 0.000 1.183 842 P CA 0.332 63.454 63.100 0.036 0.000 0.761 842 P CB 0.367 32.020 31.700 -0.078 0.000 0.785 843 A N 3.548 126.456 122.820 0.145 0.000 2.466 843 A HA 0.112 4.432 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 -0.141 51.955 52.037 0.099 0.000 0.774 843 A CB -0.106 18.891 19.000 -0.006 0.000 1.015 843 A HN 0.704 nan 8.150 nan 0.000 0.498 844 N N -0.050 118.530 118.700 -0.200 0.000 2.177 844 N HA 0.249 4.989 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 52.832 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 0.351 120.071 119.950 -0.382 0.000 2.708 845 F HA 0.574 5.101 4.527 -0.000 0.000 0.309 845 F C -2.986 172.530 175.800 -0.474 0.000 1.120 845 F CA -1.354 56.399 58.000 -0.412 0.000 0.978 845 F CB 1.603 40.403 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 -0.682 0.000 1.292 846 P CA -0.208 62.019 63.100 -1.454 0.000 0.800 846 P CB 0.736 31.746 31.700 -1.150 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 -1.365 174.395 175.900 -0.233 0.000 1.157 847 Y CA -1.414 56.536 58.100 -0.251 0.000 1.372 847 Y CB -0.869 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 0.145 nan 4.420 nan 0.000 0.276 848 P C -0.052 177.201 177.300 -0.077 0.000 1.253 848 P CA 0.126 63.197 63.100 -0.047 0.000 0.766 848 P CB 0.744 32.426 31.700 -0.030 0.000 0.845 849 L N 2.895 124.070 121.223 -0.079 0.000 2.640 849 L HA 0.250 4.590 4.340 -0.000 0.000 0.230 849 L C 1.067 177.893 176.870 -0.073 0.000 1.123 849 L CA 0.115 54.899 54.840 -0.093 0.000 0.900 849 L CB -0.177 41.826 42.059 -0.092 0.000 1.146 849 L HN 0.391 nan 8.230 nan 0.000 0.484 850 I N -4.015 116.521 120.570 -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 -0.695 60.580 61.300 -0.041 0.000 0.985 850 I CB 1.696 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 2.076 110.861 108.800 -0.025 0.000 2.685 851 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.387 851 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.387 851 G C -0.058 174.833 174.900 -0.015 0.000 1.324 851 G CA -0.059 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 0.088 4.408 4.320 -0.000 0.000 0.194 852 K C 1.850 178.451 176.600 0.002 0.000 1.033 852 K CA 1.351 57.636 56.287 -0.003 0.000 1.004 852 K CB 0.092 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 0.592 115.147 114.554 0.001 0.000 3.044 853 T HA 0.215 4.565 4.350 -0.000 0.000 0.260 853 T C 0.166 174.860 174.700 -0.010 0.000 1.019 853 T CA -0.244 61.863 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 1.937 124.734 122.820 -0.038 0.000 2.609 854 A HA 0.329 4.649 4.320 -0.000 0.000 0.232 854 A C 0.768 178.269 177.584 -0.139 0.000 1.041 854 A CA -0.074 51.913 52.037 -0.084 0.000 0.753 854 A CB -0.187 18.769 19.000 -0.073 0.000 0.966 854 A HN 0.477 nan 8.150 nan 0.000 0.510 855 V N 0.791 120.534 119.914 -0.285 0.000 2.953 855 V HA 0.308 4.428 4.120 -0.000 0.000 0.304 855 V C 0.213 176.111 176.094 -0.326 0.000 1.073 855 V CA -1.170 60.806 62.300 -0.540 0.000 1.064 855 V CB 0.725 31.838 31.823 -1.184 0.000 1.047 855 V HN 0.791 nan 8.190 nan 0.000 0.478 856 D N 2.734 122.997 120.400 -0.228 0.000 2.487 856 D HA 0.208 4.848 4.640 -0.000 0.000 0.243 856 D C 0.457 176.662 176.300 -0.160 0.000 1.154 856 D CA 0.688 54.625 54.000 -0.106 0.000 0.876 856 D CB 1.028 41.830 40.800 0.003 0.000 1.161 856 D HN 0.959 nan 8.370 nan 0.000 0.478 857 S N 1.668 117.292 115.700 -0.126 0.000 2.726 857 S HA 0.740 5.210 4.470 -0.000 0.000 0.308 857 S C -0.483 174.056 174.600 -0.102 0.000 1.115 857 S CA -0.874 57.247 58.200 -0.131 0.000 0.965 857 S CB 2.049 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 0.528 121.034 120.570 -0.108 0.000 2.647 858 I HA 0.493 4.663 4.170 -0.000 0.000 0.295 858 I C -0.449 175.611 176.117 -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 40.335 38.000 -0.086 0.000 1.239 858 I HN 0.872 nan 8.210 nan 0.000 0.421 859 T N 5.801 120.314 114.554 -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 -0.558 61.502 62.100 -0.067 0.000 1.049 859 T CB 0.858 69.703 68.868 -0.037 0.000 0.947 859 T HN 0.432 nan 8.240 nan 0.000 0.472 860 Q N 1.984 121.743 119.800 -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 -0.872 54.940 55.803 0.014 0.000 0.784 860 Q CB 2.344 31.049 28.738 -0.056 0.000 1.264 860 Q HN 0.507 nan 8.270 nan 0.000 0.448 861 K N 2.184 122.726 120.400 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 55.554 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 0.475 121.010 120.400 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 0.161 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 -1.329 118.611 119.950 -0.016 0.000 2.744 863 F HA 0.649 5.176 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 0.872 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 2.017 123.338 121.223 0.165 0.000 2.333 864 L HA 0.713 5.053 4.340 -0.000 0.000 0.269 864 L C -0.628 176.500 176.870 0.431 0.000 1.010 864 L CA -0.835 54.079 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 1.030 nan 8.230 nan 0.000 0.430 865 C N 2.031 121.593 119.300 0.436 0.000 3.173 865 C HA 0.291 4.751 4.460 -0.000 0.000 0.209 865 C C -0.436 174.707 174.990 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 1.548 122.123 120.400 0.290 0.000 2.354 866 D HA 0.103 4.743 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 0.711 nan 8.370 nan 0.000 0.456 867 R N -1.391 119.389 120.500 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 -2.375 28.177 30.300 0.420 0.000 1.037 867 R HN 0.385 nan 8.270 nan 0.000 0.460 868 T N -0.182 114.573 114.554 0.336 0.000 2.816 868 T HA 0.685 5.035 4.350 -0.000 0.000 0.299 868 T C -1.067 173.570 174.700 -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 1.827 122.923 121.223 -0.211 0.000 2.346 869 L HA 0.557 4.897 4.340 -0.000 0.000 0.276 869 L C -0.588 176.040 176.870 -0.403 0.000 1.006 869 L CA -0.926 53.650 54.840 -0.441 0.000 0.817 869 L CB 1.678 43.503 42.059 -0.390 0.000 1.272 869 L HN 0.702 nan 8.230 nan 0.000 0.421 870 W N 2.842 123.796 121.300 -0.576 0.000 2.181 870 W HA 0.325 4.985 4.660 -0.000 0.000 0.335 870 W C 0.293 176.441 176.519 -0.618 0.000 1.310 870 W CA -0.477 56.478 57.345 -0.649 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 3.246 123.640 120.500 -0.177 0.000 2.686 871 R HA 0.588 4.928 4.340 -0.000 0.000 0.286 871 R C -0.936 175.240 176.300 -0.206 0.000 0.969 871 R CA -0.952 55.033 56.100 -0.193 0.000 0.898 871 R CB 1.855 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 3.659 124.234 120.570 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 1.868 39.932 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 -0.335 177.226 177.300 0.434 0.000 1.227 873 P CA -0.218 63.020 63.100 0.230 0.000 0.781 873 P CB 0.661 32.460 31.700 0.166 0.000 0.906 874 F N 2.303 122.204 119.950 -0.081 0.000 2.669 874 F HA 0.293 4.820 4.527 -0.000 0.000 0.353 874 F C 0.398 176.227 175.800 0.049 0.000 1.192 874 F CA -0.142 57.796 58.000 -0.105 0.000 1.317 874 F CB -0.560 38.126 39.000 -0.523 0.000 1.652 874 F HN 0.088 nan 8.300 nan 0.000 0.608 875 S N 0.263 116.041 115.700 0.130 0.000 2.521 875 S HA 0.325 4.795 4.470 -0.000 0.000 0.295 875 S C 1.074 175.617 174.600 -0.095 0.000 1.098 875 S CA -0.044 58.152 58.200 -0.006 0.000 0.999 875 S CB 1.272 64.494 63.200 0.036 0.000 1.034 875 S HN 0.475 nan 8.310 nan 0.000 0.483 876 S N 3.555 119.167 115.700 -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 1.900 59.972 58.200 -0.212 0.000 1.013 876 S CB -0.733 62.378 63.200 -0.148 0.000 0.820 876 S HN 0.911 nan 8.310 nan 0.000 0.476 877 N N -0.783 117.778 118.700 -0.232 0.000 2.238 877 N HA 0.221 4.961 4.740 -0.000 0.000 0.235 877 N C -0.015 175.522 175.510 0.045 0.000 1.209 877 N CA -0.365 52.599 53.050 -0.143 0.000 0.879 877 N CB -0.675 37.796 38.487 -0.026 0.000 1.136 877 N HN 0.277 nan 8.380 nan 0.000 0.517 878 F N -1.372 118.643 119.950 0.109 0.000 2.825 878 F HA -0.294 4.233 4.527 -0.000 0.000 0.358 878 F C 0.449 176.263 175.800 0.024 0.000 0.639 878 F CA 0.613 58.660 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 -0.276 119.428 119.600 0.175 0.000 2.283 879 M HA 0.371 4.851 4.480 -0.000 0.000 0.314 879 M C 0.684 177.014 176.300 0.051 0.000 1.153 879 M CA -0.100 55.261 55.300 0.103 0.000 1.084 879 M CB 0.805 33.476 32.600 0.118 0.000 1.468 879 M HN -0.060 nan 8.290 nan 0.000 0.474 880 S N 2.048 117.761 115.700 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 0.165 63.352 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 0.911 33.517 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 0.091 175.013 174.900 0.037 0.000 1.603 882 G CA -0.508 44.608 45.100 0.026 0.000 0.961 882 G HN 0.080 nan 8.290 nan 0.000 0.686 883 A N 0.283 123.138 122.820 0.058 0.000 1.892 883 A HA 0.115 4.435 4.320 -0.000 0.000 0.218 883 A C 1.649 179.374 177.584 0.236 0.000 1.188 883 A CA 2.189 54.275 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 1.808 nan 8.150 nan 0.000 0.447 884 L N 2.107 123.501 121.223 0.286 0.000 2.334 884 L HA 0.312 4.652 4.340 -0.000 0.000 0.286 884 L C 0.863 177.809 176.870 0.127 0.000 1.108 884 L CA 0.275 55.272 54.840 0.263 0.000 0.875 884 L CB -0.302 41.803 42.059 0.075 0.000 1.246 884 L HN 0.408 nan 8.230 nan 0.000 0.439 885 T N -0.019 114.605 114.554 0.118 0.000 2.795 885 T HA 0.039 4.389 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 0.029 0.000 0.988 885 T HN 0.711 nan 8.240 nan 0.000 0.543 886 D N 1.494 121.892 120.400 -0.004 0.000 2.117 886 D HA -0.122 4.518 4.640 -0.000 0.000 0.198 886 D C 2.079 178.367 176.300 -0.019 0.000 0.982 886 D CA 1.182 55.175 54.000 -0.012 0.000 0.828 886 D CB -0.579 40.203 40.800 -0.030 0.000 0.967 886 D HN 0.567 nan 8.370 nan 0.000 0.464 887 L N 0.366 121.524 121.223 -0.108 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 56.016 54.840 -0.210 0.000 0.752 887 L CB -0.817 40.700 42.059 -0.904 0.000 0.906 887 L HN 0.213 nan 8.230 nan 0.000 0.436 888 G N -0.191 108.689 108.800 0.134 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 0.216 0.000 1.114 888 G CA 0.687 45.956 45.100 0.282 0.000 0.757 888 G HN 0.601 nan 8.290 nan 0.000 0.559 889 Q N -0.227 119.662 119.800 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 28.742 28.738 0.062 0.000 1.131 889 Q HN 0.245 nan 8.270 nan 0.000 0.498 890 N N 1.622 120.427 118.700 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 0.895 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 1.145 56.010 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 -1.824 119.355 121.223 -0.073 0.000 2.265 892 L HA -0.205 4.135 4.340 -0.000 0.000 0.215 892 L C 1.860 178.547 176.870 -0.305 0.000 1.117 892 L CA 1.760 56.466 54.840 -0.223 0.000 0.782 892 L CB -0.717 41.112 42.059 -0.384 0.000 0.914 892 L HN 0.097 nan 8.230 nan 0.000 0.441 893 Y N -0.830 119.510 120.300 0.067 0.000 2.462 893 Y HA 0.464 5.014 4.550 -0.000 0.000 0.261 893 Y C 2.244 178.255 175.900 0.185 0.000 1.146 893 Y CA 0.303 58.468 58.100 0.108 0.000 1.283 893 Y CB -0.178 38.355 38.460 0.122 0.000 1.090 893 Y HN 0.283 nan 8.280 nan 0.000 0.526 894 A N -0.136 122.820 122.820 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 0.537 52.673 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 0.854 119.607 118.700 0.089 0.000 2.573 895 N HA -0.005 4.735 4.740 -0.000 0.000 0.187 895 N C 0.102 175.643 175.510 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 -2.284 113.474 115.700 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 -1.068 57.154 58.200 0.037 0.000 0.824 896 S CB 1.484 64.643 63.200 -0.068 0.000 1.118 896 S HN 0.083 nan 8.310 nan 0.000 0.462 897 A N 1.397 124.206 122.820 -0.019 0.000 2.304 897 A HA 0.775 5.095 4.320 -0.000 0.000 0.301 897 A C -0.302 177.225 177.584 -0.096 0.000 1.132 897 A CA -0.451 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 -0.276 119.027 119.070 0.388 0.000 2.895 898 H HA 0.612 5.168 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 2.225 32.205 29.762 0.363 0.000 1.793 898 H HN 0.875 nan 8.280 nan 0.000 0.551 899 A N 1.873 124.963 122.820 0.450 0.000 2.306 899 A HA 0.572 4.892 4.320 -0.000 0.000 0.330 899 A C -0.993 176.729 177.584 0.230 0.000 1.146 899 A CA -0.538 51.694 52.037 0.325 0.000 0.827 899 A CB 1.024 20.136 19.000 0.186 0.000 1.178 899 A HN 0.440 nan 8.150 nan 0.000 0.490 900 L N 1.190 122.495 121.223 0.138 0.000 2.408 900 L HA 0.623 4.963 4.340 -0.000 0.000 0.268 900 L C -1.607 175.226 176.870 -0.061 0.000 0.986 900 L CA -0.195 54.557 54.840 -0.148 0.000 0.820 900 L CB 2.187 44.038 42.059 -0.347 0.000 1.303 900 L HN 0.673 nan 8.230 nan 0.000 0.411 901 D N 6.354 126.665 120.400 -0.147 0.000 2.505 901 D HA 0.509 5.149 4.640 -0.000 0.000 0.249 901 D C -0.870 175.330 176.300 -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 43.093 40.800 -0.053 0.000 1.317 901 D HN 0.496 nan 8.370 nan 0.000 0.497 902 M N 0.981 120.493 119.600 -0.148 0.000 2.464 902 M HA 0.333 4.813 4.480 -0.000 0.000 0.308 902 M C -0.843 175.322 176.300 -0.224 0.000 1.127 902 M CA -0.568 54.572 55.300 -0.267 0.000 0.913 902 M CB 2.666 35.108 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 0.481 69.271 68.868 -0.130 0.000 0.972 903 T HN 0.269 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 0.913 176.675 175.800 -0.064 0.000 1.095 904 F CA -0.909 57.032 58.000 -0.100 0.000 1.038 904 F CB 1.368 40.328 39.000 -0.066 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 -1.363 175.254 176.600 0.029 0.000 0.879 905 E CA -0.619 55.811 56.400 0.050 0.000 0.756 905 E CB 1.829 31.535 29.700 0.009 0.000 1.152 905 E HN 0.518 nan 8.360 nan 0.000 0.416 906 V N 0.515 120.399 119.914 -0.050 0.000 3.074 906 V HA 0.539 4.659 4.120 -0.000 0.000 0.314 906 V C -0.337 175.692 176.094 -0.108 0.000 1.117 906 V CA -1.057 61.147 62.300 -0.159 0.000 1.014 906 V CB 1.990 33.607 31.823 -0.343 0.000 1.057 906 V HN 0.453 nan 8.190 nan 0.000 0.438 907 D N 2.602 122.928 120.400 -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 -0.834 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 1.938 121.527 119.600 -0.018 0.000 2.395 909 M HA 0.190 4.670 4.480 -0.000 0.000 0.307 909 M C 0.251 176.556 176.300 0.007 0.000 1.091 909 M CA -0.653 54.647 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 -0.040 4.600 4.640 -0.000 0.000 0.253 910 D C -0.219 176.090 176.300 0.015 0.000 1.187 910 D CA 0.261 54.274 54.000 0.022 0.000 0.900 910 D CB -0.119 40.701 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 0.454 4.804 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 -2.563 53.840 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 -0.440 176.852 177.300 -0.015 0.000 1.205 912 P CA 0.283 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 0.745 115.289 114.554 -0.017 0.000 2.742 913 T HA 0.800 5.150 4.350 -0.000 0.000 0.282 913 T C -0.678 174.017 174.700 -0.008 0.000 1.025 913 T CA -0.888 61.200 62.100 -0.019 0.000 1.020 913 T CB 0.908 69.752 68.868 -0.040 0.000 1.317 913 T HN 0.150 nan 8.240 nan 0.000 0.538 914 L N 0.638 121.865 121.223 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 2.849 124.139 121.223 0.112 0.000 2.255 915 L HA 0.393 4.733 4.340 -0.000 0.000 0.289 915 L C -1.104 175.925 176.870 0.265 0.000 1.046 915 L CA -0.097 54.816 54.840 0.122 0.000 0.816 915 L CB 0.561 42.582 42.059 -0.063 0.000 1.197 915 L HN 0.433 nan 8.230 nan 0.000 0.427 916 Y N 6.055 126.428 120.300 0.121 0.000 2.404 916 Y HA 0.567 5.117 4.550 -0.000 0.000 0.344 916 Y C -1.059 174.921 175.900 0.132 0.000 0.970 916 Y CA -1.289 56.895 58.100 0.139 0.000 1.180 916 Y CB 0.875 39.421 38.460 0.143 0.000 1.138 916 Y HN 0.357 nan 8.280 nan 0.000 0.510 917 V N 7.672 127.788 119.914 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 61.352 62.300 0.091 0.000 0.861 917 V CB 1.620 33.524 31.823 0.136 0.000 0.985 917 V HN 0.577 nan 8.190 nan 0.000 0.436 918 L N 4.932 126.041 121.223 -0.189 0.000 2.265 918 L HA 0.529 4.869 4.340 -0.000 0.000 0.289 918 L C -0.895 175.877 176.870 -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 43.041 42.059 -0.233 0.000 1.203 918 L HN 0.523 nan 8.230 nan 0.000 0.423 919 F N 1.832 121.749 119.950 -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 0.680 39.467 39.000 -0.355 0.000 1.282 919 F HN 0.446 nan 8.300 nan 0.000 0.513 920 E N 3.577 123.707 120.200 -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 30.353 29.700 -0.392 0.000 0.986 920 E HN 0.484 nan 8.360 nan 0.000 0.446 921 V N -0.087 119.711 119.914 -0.194 0.000 3.065 921 V HA 0.562 4.682 4.120 -0.000 0.000 0.312 921 V C -1.344 174.564 176.094 -0.310 0.000 1.412 921 V CA -1.157 61.087 62.300 -0.093 0.000 1.039 921 V CB 1.088 32.981 31.823 0.116 0.000 1.077 921 V HN 0.414 nan 8.190 nan 0.000 0.473 922 F N 1.204 121.149 119.950 -0.008 0.000 2.411 922 F HA 0.695 5.222 4.527 -0.000 0.000 0.352 922 F C -0.065 175.727 175.800 -0.013 0.000 1.123 922 F CA -0.180 57.803 58.000 -0.029 0.000 1.044 922 F CB 1.293 40.289 39.000 -0.007 0.000 1.135 922 F HN 0.576 nan 8.300 nan 0.000 0.461 923 D N 3.981 124.404 120.400 0.038 0.000 2.438 923 D HA 0.474 5.114 4.640 -0.000 0.000 0.257 923 D C -1.085 175.210 176.300 -0.008 0.000 1.148 923 D CA 0.024 54.020 54.000 -0.006 0.000 0.902 923 D CB 1.108 41.788 40.800 -0.201 0.000 1.062 923 D HN 0.187 nan 8.370 nan 0.000 0.518 924 V N 2.194 122.232 119.914 0.207 0.000 3.001 924 V HA 0.672 4.792 4.120 -0.000 0.000 0.314 924 V C -0.103 176.154 176.094 0.272 0.000 1.099 924 V CA -0.852 61.606 62.300 0.264 0.000 0.989 924 V CB 2.359 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 1.810 121.837 119.914 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 2.111 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 1.972 122.422 120.500 -0.084 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 55.708 56.100 -0.041 0.000 0.853 926 R CB 1.998 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 4.674 124.604 119.914 0.028 0.000 2.394 927 V HA 0.293 4.413 4.120 -0.000 0.000 0.282 927 V C 0.047 176.214 176.094 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 5.510 124.589 119.070 0.015 0.000 2.466 928 H HA 0.554 5.110 4.556 -0.000 0.000 0.338 928 H C -0.429 174.914 175.328 0.024 0.000 1.091 928 H CA -0.831 55.223 56.048 0.010 0.000 1.207 928 H CB 1.374 31.141 29.762 0.009 0.000 1.466 928 H HN 0.571 nan 8.280 nan 0.000 0.493 929 R N 5.889 126.168 120.500 -0.368 0.000 2.738 929 R HA 0.186 4.526 4.340 -0.000 0.000 0.280 929 R C -1.997 174.068 176.300 -0.391 0.000 1.456 929 R CA -1.693 54.256 56.100 -0.252 0.000 1.612 929 R CB 0.485 30.739 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 1.505 64.199 63.100 -0.677 0.000 0.858 930 P CB 0.268 31.657 31.700 -0.520 0.000 0.789 931 H N -3.850 115.184 119.070 -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 0.863 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 1.022 121.605 120.500 0.138 0.000 2.494 932 R HA 0.061 4.401 4.340 -0.000 0.000 0.291 932 R C 0.309 176.610 176.300 0.000 0.000 0.953 932 R CA 1.409 57.542 56.100 0.055 0.000 1.098 932 R CB -0.516 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 -0.387 174.468 174.900 -0.073 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 1.114 121.076 119.914 0.080 0.000 2.488 934 V HA 0.564 4.684 4.120 -0.000 0.000 0.293 934 V C 0.167 176.353 176.094 0.152 0.000 1.027 934 V CA -0.762 61.610 62.300 0.120 0.000 0.862 934 V CB 1.646 33.544 31.823 0.126 0.000 1.008 934 V HN 0.403 nan 8.190 nan 0.000 0.428 935 I N 3.200 123.878 120.570 0.180 0.000 2.411 935 I HA 0.618 4.788 4.170 -0.000 0.000 0.284 935 I C -0.289 175.914 176.117 0.143 0.000 1.012 935 I CA -0.528 60.865 61.300 0.155 0.000 1.119 935 I CB 1.671 39.770 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 0.570 4.920 4.350 -0.000 0.000 0.271 936 E C -0.594 176.095 176.600 0.148 0.000 0.919 936 E CA -0.749 55.747 56.400 0.160 0.000 0.781 936 E CB 2.445 32.261 29.700 0.193 0.000 1.140 936 E HN 0.710 nan 8.360 nan 0.000 0.402 937 T N -1.595 113.044 114.554 0.141 0.000 2.908 937 T HA 0.625 4.975 4.350 -0.000 0.000 0.290 937 T C -0.559 174.206 174.700 0.107 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 2.685 122.609 119.914 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 -0.905 61.437 62.300 0.072 0.000 0.834 938 V CB 0.417 32.267 31.823 0.044 0.000 1.009 938 V HN 0.886 nan 8.190 nan 0.000 0.428 939 Y N 4.942 125.312 120.300 0.116 0.000 2.334 939 Y HA 0.746 5.296 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 40.326 38.460 0.177 0.000 1.207 939 Y HN 0.527 nan 8.280 nan 0.000 0.471 940 L N 4.478 125.877 121.223 0.293 0.000 2.516 940 L HA 0.513 4.853 4.340 -0.000 0.000 0.267 940 L C -1.383 175.617 176.870 0.216 0.000 0.957 940 L CA -0.804 54.158 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 -1.496 174.907 176.300 0.171 0.000 0.980 941 R CA -0.033 56.182 56.100 0.191 0.000 0.867 941 R CB 1.147 31.562 30.300 0.192 0.000 1.163 941 R HN 0.836 nan 8.270 nan 0.000 0.492 942 T N 2.262 116.935 114.554 0.198 0.000 2.912 942 T HA 0.507 4.857 4.350 -0.000 0.000 0.299 942 T C -2.730 172.142 174.700 0.287 0.000 1.052 942 T CA -1.887 60.326 62.100 0.188 0.000 0.996 942 T CB 2.322 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 -0.235 177.207 177.300 0.236 0.000 1.307 943 P CA -0.582 62.607 63.100 0.149 0.000 0.738 943 P CB -0.129 31.570 31.700 -0.002 0.000 1.422 944 F N -3.049 116.792 119.950 -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 0.061 115.779 115.700 0.032 0.000 2.562 945 S HA 0.645 5.115 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 1.406 64.618 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