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_P DATA FIRST_RESID 5 DATA SEQUENCE MMPQWSYMHI SGQDASEYLS PGLVQFARAT ETYFSLNNKF RNPTVAPTHD DATA SEQUENCE VTTDRSQRLT LRFIPVDRED TAYSYKARFT LAVGDNRVLD MASTYFDIRG DATA SEQUENCE VLDRGPTFKP YSGTAYNALA PKGAPNPCEW DXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX THVFGQAPYS GINITKEGIQ IGXXXXXXKY ADKTFQPEPQ DATA SEQUENCE IGESQWYETE INHAAGRVLK KTTPMKPCYG SYAKPTNENG GQGILVXXXX DATA SEQUENCE XXXESQVEMQ FFSTTXXXXX XXXNLTPKVV LYSEDVDIET PDTHISYMPT DATA SEQUENCE IKEGNSRELM GQQSMPNRPN YIAFRDNFIG LMYYNSTGNM GVLAGQASQL DATA SEQUENCE NAVVDLQDRN TELSYQLLLD SIGDRTRYFS MWNQAVDSYD PDVRIIENHG DATA SEQUENCE TEDELPNYCF PLGGVINTET LTKVKPXXXX XXGWEKDAXX FSDKNEIRVG DATA SEQUENCE NNFAMEINLN ANLWRNFLYS NIALYLPDKL KYSPSNVKIS DNPNTYDYMN DATA SEQUENCE KRVVAPGLVD CYINLGARWS LDYMDNVNPF NHHRNAGLRY RSMLLGNGRY DATA SEQUENCE VPFHIQVPQK FFAIKNLLLL PGSYTYEWNF RKDVNMVLQS SLGNDLRVDG DATA SEQUENCE ASIKFDSICL YATFFPMAHN TASTLEAMLR NDTNDQSFND YLSAANMLYP DATA SEQUENCE IPANATNVPI SIPSRNWAAF RGWAFTRLKT KETPSLGSGY DPYYTYSGSI DATA SEQUENCE PYLDGTFYLN HTFKKVAITF DSSVSWPGND RLLTPNEFEI KRSVDGEGYN DATA SEQUENCE VAQCNMTKDW FLVQMLANYN IGYQGFYIPE SYKDRMYSFF RNFQPMSRQV DATA SEQUENCE VDDTKYKDYQ QVGILHQHNN SGFVGYLAPT MREGQAYPAN FPYPLIGKTA DATA SEQUENCE VDSITQKKFL CDRTLWRIPF SSNFMSMGAL TDLGQNLLYA NSAHALDMTF DATA SEQUENCE EVDPMDEPTL LYVLFEVFDV VRVHRPHRGV IETVYLRTPF SA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 175.621 176.300 -1.131 0.000 1.140 5 M CA 0.000 54.517 55.300 -1.305 0.000 0.988 5 M CB 0.000 32.160 32.600 -0.732 0.000 1.302 6 M N 0.565 119.724 119.600 -0.736 0.000 5.905 6 M HA -0.275 4.205 4.480 -0.000 0.000 0.326 6 M C -0.283 175.926 176.300 -0.151 0.000 0.705 6 M CA 2.897 58.019 55.300 -0.297 0.000 0.949 6 M CB -2.938 29.571 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 1.449 178.760 177.300 0.018 0.000 1.151 7 P CA 2.444 65.512 63.100 -0.053 0.000 0.953 7 P CB -0.477 31.172 31.700 -0.086 0.000 0.789 8 Q N -2.187 117.615 119.800 0.003 0.000 2.096 8 Q HA -0.197 4.143 4.340 -0.000 0.000 0.204 8 Q C 2.306 178.472 176.000 0.276 0.000 0.982 8 Q CA 1.538 57.416 55.803 0.125 0.000 0.850 8 Q CB -0.661 28.153 28.738 0.128 0.000 0.901 8 Q HN 0.339 nan 8.270 nan 0.000 0.422 9 W N 1.247 122.556 121.300 0.015 0.000 2.333 9 W HA -0.165 4.495 4.660 -0.000 0.000 0.316 9 W C 2.633 179.142 176.519 -0.017 0.000 1.215 9 W CA 1.341 58.692 57.345 0.009 0.000 1.278 9 W CB -1.247 28.223 29.460 0.018 0.000 1.154 9 W HN 0.125 nan 8.180 nan 0.000 0.486 10 S N -1.048 114.782 115.700 0.215 0.000 2.368 10 S HA -0.238 4.232 4.470 -0.000 0.000 0.224 10 S C 1.665 176.172 174.600 -0.156 0.000 1.029 10 S CA 1.299 59.541 58.200 0.070 0.000 0.988 10 S CB -1.303 61.947 63.200 0.083 0.000 0.838 10 S HN 0.263 nan 8.310 nan 0.000 0.462 11 Y N 2.144 122.330 120.300 -0.191 0.000 2.128 11 Y HA -0.073 4.477 4.550 -0.000 0.000 0.284 11 Y C 2.119 177.743 175.900 -0.459 0.000 1.154 11 Y CA 1.440 59.361 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 -0.734 118.765 119.600 -0.168 0.000 2.618 12 M HA -0.019 4.461 4.480 -0.000 0.000 0.240 12 M C 0.073 176.287 176.300 -0.144 0.000 1.123 12 M CA 0.893 56.103 55.300 -0.150 0.000 1.060 12 M CB -1.122 31.509 32.600 0.051 0.000 1.535 12 M HN 0.423 nan 8.290 nan 0.000 0.507 13 H N -1.972 117.062 119.070 -0.061 0.000 3.109 13 H HA -0.146 4.410 4.556 -0.000 0.000 0.245 13 H C 1.336 176.661 175.328 -0.005 0.000 1.187 13 H CA 0.828 56.845 56.048 -0.052 0.000 1.136 13 H CB -2.260 27.449 29.762 -0.089 0.000 1.243 13 H HN 0.368 nan 8.280 nan 0.000 0.328 14 I N 0.453 121.054 120.570 0.050 0.000 2.493 14 I HA -0.139 4.031 4.170 -0.000 0.000 0.254 14 I C 1.460 177.540 176.117 -0.062 0.000 1.160 14 I CA 1.512 62.772 61.300 -0.068 0.000 1.445 14 I CB 0.195 38.049 38.000 -0.244 0.000 1.086 14 I HN 0.420 nan 8.210 nan 0.000 0.433 15 S N -1.473 114.268 115.700 0.069 0.000 2.705 15 S HA 0.829 5.299 4.470 -0.000 0.000 0.280 15 S C -0.122 174.585 174.600 0.179 0.000 1.174 15 S CA -0.158 58.116 58.200 0.123 0.000 0.823 15 S CB 1.520 64.844 63.200 0.207 0.000 1.162 15 S HN 0.485 nan 8.310 nan 0.000 0.487 16 G N 0.716 109.620 108.800 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 -0.959 174.054 174.900 0.188 0.000 1.237 16 G CA -0.167 45.040 45.100 0.178 0.000 0.954 16 G HN 1.047 nan 8.290 nan 0.000 0.580 17 Q N 0.463 120.408 119.800 0.240 0.000 2.382 17 Q HA 0.504 4.844 4.340 -0.000 0.000 0.229 17 Q C -0.605 175.564 176.000 0.281 0.000 1.006 17 Q CA -0.422 55.524 55.803 0.238 0.000 0.916 17 Q CB 0.689 29.573 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 0.080 0.000 2.283 18 D HA 0.195 4.835 4.640 -0.000 0.000 0.248 18 D C 0.590 176.607 176.300 -0.471 0.000 1.072 18 D CA -0.047 53.907 54.000 -0.076 0.000 0.929 18 D CB 1.400 42.151 40.800 -0.082 0.000 1.182 18 D HN 0.647 nan 8.370 nan 0.000 0.433 19 A N 1.432 123.819 122.820 -0.722 0.000 1.958 19 A HA -0.248 4.072 4.320 -0.000 0.000 0.221 19 A C 2.026 179.127 177.584 -0.806 0.000 1.178 19 A CA 2.605 53.896 52.037 -1.243 0.000 0.642 19 A CB -0.768 17.854 19.000 -0.629 0.000 0.816 19 A HN 0.585 nan 8.150 nan 0.000 0.453 20 S N -0.081 115.358 115.700 -0.435 0.000 2.419 20 S HA -0.186 4.284 4.470 -0.000 0.000 0.233 20 S C 1.463 175.928 174.600 -0.226 0.000 1.016 20 S CA 1.500 59.534 58.200 -0.277 0.000 0.974 20 S CB -0.361 62.737 63.200 -0.170 0.000 0.786 20 S HN 0.765 nan 8.310 nan 0.000 0.492 21 E N 0.338 120.405 120.200 -0.222 0.000 2.251 21 E HA 0.062 4.412 4.350 -0.000 0.000 0.194 21 E C 1.860 178.437 176.600 -0.039 0.000 0.964 21 E CA 0.701 57.043 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 0.866 nan 8.360 nan 0.000 0.481 22 Y N 0.882 121.155 120.300 -0.046 0.000 2.365 22 Y HA 0.236 4.786 4.550 -0.000 0.000 0.293 22 Y C 0.810 176.673 175.900 -0.062 0.000 1.119 22 Y CA -0.157 57.928 58.100 -0.025 0.000 1.203 22 Y CB -0.507 37.978 38.460 0.042 0.000 1.026 22 Y HN -0.205 nan 8.280 nan 0.000 0.549 23 L N 1.848 122.966 121.223 -0.176 0.000 2.472 23 L HA 0.175 4.515 4.340 -0.000 0.000 0.260 23 L C 1.008 177.821 176.870 -0.095 0.000 1.209 23 L CA -0.290 54.460 54.840 -0.149 0.000 0.817 23 L CB 0.456 42.261 42.059 -0.424 0.000 1.106 23 L HN 0.343 nan 8.230 nan 0.000 0.479 24 S N 0.819 116.474 115.700 -0.074 0.000 2.585 24 S HA 0.176 4.646 4.470 -0.000 0.000 0.273 24 S C -1.799 172.763 174.600 -0.064 0.000 1.339 24 S CA -1.070 57.103 58.200 -0.046 0.000 1.028 24 S CB 1.024 64.208 63.200 -0.027 0.000 0.906 24 S HN 0.402 nan 8.310 nan 0.000 0.528 25 P HA 0.033 nan 4.420 nan 0.000 0.217 25 P C 1.700 178.990 177.300 -0.018 0.000 1.150 25 P CA 1.581 64.661 63.100 -0.034 0.000 0.832 25 P CB -0.547 31.141 31.700 -0.019 0.000 0.787 26 G N 0.324 109.121 108.800 -0.006 0.000 2.418 26 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 26 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 26 G C 1.480 176.407 174.900 0.044 0.000 1.158 26 G CA 0.635 45.748 45.100 0.023 0.000 0.771 26 G HN 0.240 nan 8.290 nan 0.000 0.545 27 L N 0.798 122.013 121.223 -0.013 0.000 2.046 27 L HA 0.011 4.351 4.340 -0.000 0.000 0.208 27 L C 2.907 179.774 176.870 -0.005 0.000 1.077 27 L CA 1.414 56.234 54.840 -0.033 0.000 0.747 27 L CB -0.587 41.394 42.059 -0.131 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 -0.374 3.746 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 2.378 64.631 62.300 -0.079 0.000 1.027 28 V CB -1.409 30.351 31.823 -0.106 0.000 0.646 28 V HN 0.720 nan 8.190 nan 0.000 0.447 29 Q N -0.861 118.949 119.800 0.017 0.000 2.030 29 Q HA -0.319 4.021 4.340 -0.000 0.000 0.204 29 Q C 2.056 178.092 176.000 0.059 0.000 0.986 29 Q CA 2.348 58.168 55.803 0.028 0.000 0.843 29 Q CB -1.183 27.576 28.738 0.034 0.000 0.904 29 Q HN 0.695 nan 8.270 nan 0.000 0.420 30 F N 1.374 121.304 119.950 -0.033 0.000 2.095 30 F HA -0.046 4.481 4.527 -0.000 0.000 0.298 30 F C 2.588 178.371 175.800 -0.028 0.000 1.104 30 F CA 1.702 59.691 58.000 -0.017 0.000 1.232 30 F CB -0.669 38.330 39.000 -0.002 0.000 0.987 30 F HN 0.350 nan 8.300 nan 0.000 0.475 31 A N 0.593 123.585 122.820 0.287 0.000 1.883 31 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 31 A C 2.425 180.004 177.584 -0.009 0.000 1.186 31 A CA 2.994 55.127 52.037 0.162 0.000 0.624 31 A CB -1.556 17.495 19.000 0.086 0.000 0.822 31 A HN 0.478 nan 8.150 nan 0.000 0.444 32 R N -0.818 119.662 120.500 -0.034 0.000 2.096 32 R HA 0.163 4.503 4.340 -0.000 0.000 0.235 32 R C 2.485 178.718 176.300 -0.112 0.000 1.127 32 R CA 2.219 58.279 56.100 -0.067 0.000 0.968 32 R CB -1.646 28.623 30.300 -0.051 0.000 0.861 32 R HN 0.966 nan 8.270 nan 0.000 0.440 33 A N 0.659 123.384 122.820 -0.159 0.000 1.970 33 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 33 A C 2.518 179.905 177.584 -0.328 0.000 1.170 33 A CA 2.040 53.956 52.037 -0.202 0.000 0.645 33 A CB -0.490 18.386 19.000 -0.207 0.000 0.816 33 A HN 0.675 nan 8.150 nan 0.000 0.447 34 T N -3.344 110.909 114.554 -0.501 0.000 3.067 34 T HA 0.239 4.589 4.350 -0.000 0.000 0.257 34 T C 1.706 176.009 174.700 -0.662 0.000 1.105 34 T CA 1.486 63.078 62.100 -0.846 0.000 1.104 34 T CB -0.346 68.134 68.868 -0.646 0.000 0.925 34 T HN 0.615 nan 8.240 nan 0.000 0.498 35 E N 2.518 122.530 120.200 -0.314 0.000 2.170 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 2.911 59.202 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 -2.335 112.141 114.554 -0.131 0.000 3.007 36 T HA -0.030 4.320 4.350 -0.000 0.000 0.270 36 T C 1.813 176.563 174.700 0.083 0.000 1.107 36 T CA 1.621 63.717 62.100 -0.007 0.000 1.118 36 T CB -0.473 68.430 68.868 0.059 0.000 0.889 36 T HN 0.915 nan 8.240 nan 0.000 0.506 37 Y N -1.643 118.688 120.300 0.052 0.000 2.423 37 Y HA 0.686 5.236 4.550 -0.000 0.000 0.257 37 Y C 0.160 176.187 175.900 0.213 0.000 1.087 37 Y CA -2.073 56.084 58.100 0.095 0.000 1.258 37 Y CB 0.643 39.144 38.460 0.069 0.000 1.237 37 Y HN 0.137 nan 8.280 nan 0.000 0.517 38 F N 2.037 121.894 119.950 -0.154 0.000 3.240 38 F HA 0.463 4.990 4.527 -0.000 0.000 0.370 38 F C -0.858 174.903 175.800 -0.066 0.000 1.271 38 F CA -1.395 56.580 58.000 -0.041 0.000 1.224 38 F CB 0.936 39.968 39.000 0.053 0.000 1.624 38 F HN -0.006 nan 8.300 nan 0.000 0.658 39 S N 5.861 121.335 115.700 -0.377 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 -0.539 57.514 58.200 -0.244 0.000 1.058 39 S CB 1.259 64.374 63.200 -0.141 0.000 0.983 39 S HN 0.754 nan 8.310 nan 0.000 0.495 40 L N 2.954 124.157 121.223 -0.032 0.000 2.766 40 L HA 0.262 4.602 4.340 -0.000 0.000 0.242 40 L C 2.716 179.682 176.870 0.159 0.000 1.136 40 L CA 0.413 55.314 54.840 0.101 0.000 0.933 40 L CB -1.174 41.085 42.059 0.333 0.000 1.241 40 L HN 0.870 nan 8.230 nan 0.000 0.522 41 N N 1.727 120.472 118.700 0.074 0.000 2.094 41 N HA -0.254 4.486 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 1.916 55.014 53.050 0.080 0.000 0.857 41 N CB -0.920 37.575 38.487 0.012 0.000 1.013 41 N HN 0.572 nan 8.380 nan 0.000 0.426 42 N N 0.507 119.180 118.700 -0.045 0.000 2.501 42 N HA -0.073 4.667 4.740 -0.000 0.000 0.195 42 N C 0.377 175.793 175.510 -0.157 0.000 1.213 42 N CA 0.586 53.588 53.050 -0.080 0.000 0.864 42 N CB -0.012 38.426 38.487 -0.082 0.000 0.999 42 N HN 0.707 nan 8.380 nan 0.000 0.454 43 K N -0.513 119.713 120.400 -0.290 0.000 2.387 43 K HA 0.185 4.505 4.320 -0.000 0.000 0.203 43 K C -0.825 175.257 176.600 -0.863 0.000 1.030 43 K CA -0.232 55.707 56.287 -0.580 0.000 1.099 43 K CB 0.216 32.306 32.500 -0.683 0.000 0.863 43 K HN 0.008 nan 8.250 nan 0.000 0.529 44 F N 2.998 122.943 119.950 -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 0.006 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 1.578 122.181 120.500 0.171 0.000 2.539 45 R HA 0.445 4.785 4.340 -0.000 0.000 0.275 45 R C -0.987 175.386 176.300 0.122 0.000 1.077 45 R CA -0.502 55.664 56.100 0.111 0.000 1.097 45 R CB 0.603 30.953 30.300 0.084 0.000 1.018 45 R HN 0.445 nan 8.270 nan 0.000 0.483 46 N N 3.534 122.279 118.700 0.076 0.000 2.524 46 N HA 0.277 5.017 4.740 -0.000 0.000 0.261 46 N C -2.441 173.105 175.510 0.059 0.000 0.998 46 N CA -1.452 51.634 53.050 0.061 0.000 0.915 46 N CB 1.820 40.312 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 -0.428 176.891 177.300 0.032 0.000 1.223 47 P CA -0.107 63.030 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 -1.358 113.199 114.554 0.005 0.000 2.906 48 T HA 0.496 4.846 4.350 -0.000 0.000 0.302 48 T C -0.582 174.108 174.700 -0.018 0.000 1.002 48 T CA -0.685 61.413 62.100 -0.003 0.000 0.988 48 T CB 0.316 69.179 68.868 -0.009 0.000 0.972 48 T HN 0.109 nan 8.240 nan 0.000 0.447 49 V N 2.834 122.745 119.914 -0.005 0.000 2.384 49 V HA 0.774 4.894 4.120 -0.000 0.000 0.287 49 V C 0.849 176.941 176.094 -0.004 0.000 1.020 49 V CA -1.045 61.250 62.300 -0.009 0.000 0.850 49 V CB 1.125 32.959 31.823 0.018 0.000 0.987 49 V HN 1.233 nan 8.190 nan 0.000 0.436 50 A N 7.103 129.916 122.820 -0.011 0.000 2.386 50 A HA 0.699 5.019 4.320 -0.000 0.000 0.248 50 A C -2.014 175.566 177.584 -0.007 0.000 1.082 50 A CA -0.933 51.101 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 0.235 nan 4.420 nan 0.000 0.275 51 P C 0.565 177.830 177.300 -0.059 0.000 1.228 51 P CA 0.053 63.109 63.100 -0.075 0.000 0.786 51 P CB 0.733 32.368 31.700 -0.108 0.000 0.927 52 T N -2.572 111.933 114.554 -0.082 0.000 3.023 52 T HA 0.163 4.513 4.350 -0.000 0.000 0.253 52 T C 0.362 175.111 174.700 0.081 0.000 1.038 52 T CA 0.062 62.178 62.100 0.028 0.000 0.962 52 T CB -0.657 68.279 68.868 0.114 0.000 1.018 52 T HN 0.722 nan 8.240 nan 0.000 0.521 53 H N -1.918 117.183 119.070 0.052 0.000 3.016 53 H HA 0.629 5.185 4.556 -0.000 0.000 0.362 53 H C -0.933 174.430 175.328 0.059 0.000 1.233 53 H CA -0.806 55.272 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 0.420 120.943 120.400 0.205 0.000 2.870 54 D HA -0.149 4.491 4.640 -0.000 0.000 0.228 54 D C 0.226 176.597 176.300 0.118 0.000 1.147 54 D CA 1.132 55.228 54.000 0.161 0.000 0.757 54 D CB -1.412 39.510 40.800 0.203 0.000 1.091 54 D HN 0.371 nan 8.370 nan 0.000 0.429 55 V N -1.313 118.676 119.914 0.124 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 1.216 63.626 62.300 0.183 0.000 1.306 55 V CB 1.037 32.949 31.823 0.148 0.000 1.171 55 V HN 0.119 nan 8.190 nan 0.000 0.513 56 T N 1.014 115.653 114.554 0.142 0.000 2.932 56 T HA 0.496 4.846 4.350 -0.000 0.000 0.289 56 T C -0.160 174.565 174.700 0.042 0.000 1.039 56 T CA -0.219 61.923 62.100 0.070 0.000 1.024 56 T CB 1.811 70.667 68.868 -0.019 0.000 1.090 56 T HN 0.385 nan 8.240 nan 0.000 0.496 57 T N 1.061 115.617 114.554 0.004 0.000 2.882 57 T HA 0.271 4.621 4.350 -0.000 0.000 0.287 57 T C 0.320 174.977 174.700 -0.072 0.000 1.014 57 T CA -0.691 61.365 62.100 -0.073 0.000 1.049 57 T CB 0.749 69.534 68.868 -0.138 0.000 1.001 57 T HN 0.442 nan 8.240 nan 0.000 0.525 58 D N -0.003 120.335 120.400 -0.102 0.000 2.423 58 D HA 0.116 4.756 4.640 -0.000 0.000 0.208 58 D C 0.672 176.926 176.300 -0.076 0.000 1.068 58 D CA 0.165 54.126 54.000 -0.066 0.000 0.860 58 D CB 0.390 41.161 40.800 -0.050 0.000 0.992 58 D HN 0.364 nan 8.370 nan 0.000 0.504 59 R N 0.328 120.750 120.500 -0.131 0.000 2.637 59 R HA 0.307 4.647 4.340 -0.000 0.000 0.269 59 R C 0.461 176.729 176.300 -0.054 0.000 1.089 59 R CA -0.195 55.841 56.100 -0.107 0.000 1.177 59 R CB 0.471 30.665 30.300 -0.177 0.000 1.091 59 R HN -0.199 nan 8.270 nan 0.000 0.540 60 S N 0.856 116.542 115.700 -0.024 0.000 2.533 60 S HA 0.062 4.532 4.470 -0.000 0.000 0.282 60 S C -0.636 173.966 174.600 0.004 0.000 1.304 60 S CA 0.033 58.228 58.200 -0.009 0.000 1.063 60 S CB 0.119 63.316 63.200 -0.005 0.000 0.881 60 S HN 0.464 nan 8.310 nan 0.000 0.493 61 Q N 3.221 123.020 119.800 -0.002 0.000 2.518 61 Q HA 0.217 4.557 4.340 -0.000 0.000 0.254 61 Q C -1.347 174.646 176.000 -0.012 0.000 0.962 61 Q CA -0.767 55.035 55.803 -0.003 0.000 0.982 61 Q CB 0.779 29.537 28.738 0.033 0.000 1.516 61 Q HN 0.584 nan 8.270 nan 0.000 0.426 62 R N 3.022 123.503 120.500 -0.032 0.000 2.539 62 R HA 0.251 4.591 4.340 -0.000 0.000 0.275 62 R C 0.728 177.045 176.300 0.027 0.000 1.077 62 R CA 0.117 56.210 56.100 -0.012 0.000 1.097 62 R CB 0.618 30.897 30.300 -0.035 0.000 1.018 62 R HN 0.729 nan 8.270 nan 0.000 0.483 63 L N 0.443 121.709 121.223 0.071 0.000 2.202 63 L HA 0.060 4.400 4.340 -0.000 0.000 0.205 63 L C 0.673 177.683 176.870 0.233 0.000 1.083 63 L CA 1.040 55.960 54.840 0.133 0.000 0.790 63 L CB 0.044 42.156 42.059 0.089 0.000 0.942 63 L HN 0.487 nan 8.230 nan 0.000 0.452 64 T N 1.402 116.066 114.554 0.184 0.000 2.824 64 T HA 0.608 4.958 4.350 -0.000 0.000 0.282 64 T C -0.498 174.285 174.700 0.138 0.000 0.993 64 T CA -0.364 61.872 62.100 0.228 0.000 0.967 64 T CB 2.180 71.188 68.868 0.234 0.000 0.960 64 T HN -0.093 nan 8.240 nan 0.000 0.441 65 L N 3.091 124.389 121.223 0.125 0.000 2.342 65 L HA 0.726 5.066 4.340 -0.000 0.000 0.271 65 L C 0.132 176.758 176.870 -0.407 0.000 1.008 65 L CA -1.193 53.547 54.840 -0.167 0.000 0.818 65 L CB 2.024 43.935 42.059 -0.246 0.000 1.296 65 L HN 0.552 nan 8.230 nan 0.000 0.427 66 R N 1.408 121.505 120.500 -0.672 0.000 2.561 66 R HA 0.647 4.987 4.340 -0.000 0.000 0.297 66 R C -1.979 173.866 176.300 -0.759 0.000 0.969 66 R CA -0.488 55.103 56.100 -0.849 0.000 0.879 66 R CB 1.444 31.117 30.300 -1.045 0.000 1.178 66 R HN 0.300 nan 8.270 nan 0.000 0.445 67 F N 3.522 123.337 119.950 -0.226 0.000 2.469 67 F HA 0.464 4.991 4.527 -0.000 0.000 0.332 67 F C 0.158 176.057 175.800 0.164 0.000 1.103 67 F CA -1.212 56.793 58.000 0.009 0.000 0.979 67 F CB 1.447 40.502 39.000 0.091 0.000 1.137 67 F HN 0.258 nan 8.300 nan 0.000 0.463 68 I N 4.047 124.836 120.570 0.366 0.000 2.488 68 I HA 0.333 4.503 4.170 -0.000 0.000 0.299 68 I C -2.168 174.131 176.117 0.304 0.000 0.984 68 I CA -3.556 57.923 61.300 0.298 0.000 1.250 68 I CB 0.801 38.882 38.000 0.136 0.000 1.389 68 I HN 0.286 nan 8.210 nan 0.000 0.488 69 P HA 0.111 nan 4.420 nan 0.000 0.271 69 P C 0.850 178.055 177.300 -0.159 0.000 1.216 69 P CA -0.034 62.838 63.100 -0.380 0.000 0.771 69 P CB 1.164 32.552 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 -0.040 4.080 4.120 -0.000 0.000 0.248 70 V C 0.549 176.585 176.094 -0.095 0.000 1.054 70 V CA 1.798 64.055 62.300 -0.072 0.000 1.073 70 V CB -0.517 31.292 31.823 -0.023 0.000 0.699 70 V HN 0.660 nan 8.190 nan 0.000 0.463 71 D N -1.252 119.054 120.400 -0.156 0.000 2.977 71 D HA 0.582 5.222 4.640 -0.000 0.000 0.220 71 D C -0.423 175.766 176.300 -0.186 0.000 1.267 71 D CA -0.081 53.834 54.000 -0.142 0.000 0.884 71 D CB 1.401 42.133 40.800 -0.113 0.000 1.667 71 D HN 0.178 nan 8.370 nan 0.000 0.536 72 R N 2.016 122.414 120.500 -0.171 0.000 2.744 72 R HA 0.844 5.184 4.340 -0.000 0.000 0.279 72 R C -0.796 175.337 176.300 -0.277 0.000 0.977 72 R CA -0.826 55.142 56.100 -0.218 0.000 0.906 72 R CB 1.199 31.405 30.300 -0.156 0.000 1.197 72 R HN 0.577 nan 8.270 nan 0.000 0.463 73 E N 1.815 121.763 120.200 -0.420 0.000 2.502 73 E HA 0.145 4.495 4.350 -0.000 0.000 0.261 73 E C -1.660 174.609 176.600 -0.553 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 0.629 nan 8.360 nan 0.000 0.400 74 D N 2.333 122.406 120.400 -0.546 0.000 2.352 74 D HA 0.141 4.781 4.640 -0.000 0.000 0.245 74 D C -0.448 175.733 176.300 -0.198 0.000 1.224 74 D CA 0.483 54.230 54.000 -0.421 0.000 0.879 74 D CB 0.932 41.614 40.800 -0.197 0.000 1.057 74 D HN 0.155 nan 8.370 nan 0.000 0.491 75 T N 1.512 115.970 114.554 -0.160 0.000 2.889 75 T HA 0.528 4.878 4.350 -0.000 0.000 0.278 75 T C 1.418 176.029 174.700 -0.148 0.000 0.995 75 T CA -0.032 61.960 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 0.301 nan 8.240 nan 0.000 0.591 76 A N 0.347 123.035 122.820 -0.220 0.000 1.873 76 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 76 A C 1.447 178.995 177.584 -0.060 0.000 1.193 76 A CA 2.164 54.114 52.037 -0.144 0.000 0.629 76 A CB -0.875 18.052 19.000 -0.122 0.000 0.826 76 A HN 0.932 nan 8.150 nan 0.000 0.447 77 Y N -1.772 118.530 120.300 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 -0.445 57.707 58.100 0.086 0.000 1.203 77 Y CB -0.470 37.994 38.460 0.007 0.000 1.262 77 Y HN 0.348 nan 8.280 nan 0.000 0.544 78 S N -0.949 114.789 115.700 0.062 0.000 2.656 78 S HA 0.652 5.122 4.470 -0.000 0.000 0.273 78 S C -2.043 172.718 174.600 0.268 0.000 1.168 78 S CA -0.722 57.646 58.200 0.280 0.000 0.817 78 S CB 2.291 65.665 63.200 0.289 0.000 1.146 78 S HN 0.246 nan 8.310 nan 0.000 0.475 79 Y N 0.377 120.819 120.300 0.237 0.000 2.386 79 Y HA 0.670 5.220 4.550 -0.000 0.000 0.334 79 Y C -0.809 175.202 175.900 0.184 0.000 1.002 79 Y CA -0.491 57.719 58.100 0.184 0.000 1.068 79 Y CB 1.885 40.478 38.460 0.221 0.000 1.203 79 Y HN 0.968 nan 8.280 nan 0.000 0.443 80 K N 3.941 124.365 120.400 0.040 0.000 2.274 80 K HA 0.893 5.213 4.320 -0.000 0.000 0.262 80 K C -1.623 174.995 176.600 0.031 0.000 0.961 80 K CA -0.562 55.750 56.287 0.042 0.000 0.833 80 K CB 1.194 33.628 32.500 -0.109 0.000 1.102 80 K HN 0.668 nan 8.250 nan 0.000 0.436 81 A N 4.347 127.237 122.820 0.116 0.000 2.343 81 A HA 0.564 4.884 4.320 -0.000 0.000 0.308 81 A C -1.212 176.244 177.584 -0.213 0.000 1.092 81 A CA -0.798 51.199 52.037 -0.066 0.000 0.751 81 A CB 1.081 20.095 19.000 0.024 0.000 1.203 81 A HN 0.785 nan 8.150 nan 0.000 0.452 82 R N 2.290 122.536 120.500 -0.423 0.000 2.437 82 R HA 0.714 5.054 4.340 -0.000 0.000 0.310 82 R C -1.783 174.239 176.300 -0.463 0.000 0.955 82 R CA -0.313 55.620 56.100 -0.279 0.000 0.851 82 R CB 0.810 31.035 30.300 -0.126 0.000 1.161 82 R HN 0.593 nan 8.270 nan 0.000 0.446 83 F N 0.233 120.255 119.950 0.120 0.000 2.611 83 F HA 0.402 4.929 4.527 -0.000 0.000 0.324 83 F C 0.253 176.114 175.800 0.102 0.000 1.061 83 F CA -0.929 57.148 58.000 0.128 0.000 0.954 83 F CB 2.404 41.502 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 -0.711 173.957 174.700 -0.053 0.000 1.364 84 T CA -0.317 61.866 62.100 0.138 0.000 1.110 84 T CB -0.028 68.917 68.868 0.129 0.000 1.127 84 T HN 0.353 nan 8.240 nan 0.000 0.576 85 L N 4.153 125.313 121.223 -0.105 0.000 2.485 85 L HA 0.571 4.911 4.340 -0.000 0.000 0.279 85 L C 0.109 176.919 176.870 -0.099 0.000 1.124 85 L CA -0.304 54.285 54.840 -0.419 0.000 0.888 85 L CB -0.798 41.137 42.059 -0.207 0.000 1.217 85 L HN 0.558 nan 8.230 nan 0.000 0.464 86 A N 5.516 128.272 122.820 -0.106 0.000 2.287 86 A HA 0.675 4.995 4.320 -0.000 0.000 0.317 86 A C -0.791 176.978 177.584 0.309 0.000 1.220 86 A CA -0.598 51.547 52.037 0.180 0.000 0.835 86 A CB 1.029 20.153 19.000 0.207 0.000 1.180 86 A HN 0.490 nan 8.150 nan 0.000 0.500 87 V N 3.564 123.665 119.914 0.310 0.000 2.294 87 V HA 0.473 4.593 4.120 -0.000 0.000 0.272 87 V C 1.170 177.373 176.094 0.181 0.000 1.027 87 V CA -0.152 62.354 62.300 0.343 0.000 0.823 87 V CB 0.728 32.792 31.823 0.402 0.000 1.030 87 V HN 1.081 nan 8.190 nan 0.000 0.457 88 G N 3.218 112.066 108.800 0.081 0.000 2.664 88 G HA2 0.141 4.101 3.960 -0.000 0.000 0.242 88 G HA3 0.141 4.101 3.960 -0.000 0.000 0.242 88 G C -0.147 174.751 174.900 -0.002 0.000 1.225 88 G CA -0.446 44.657 45.100 0.006 0.000 0.849 88 G HN 0.643 nan 8.290 nan 0.000 0.581 89 D N 0.692 121.073 120.400 -0.032 0.000 2.443 89 D HA 0.013 4.653 4.640 -0.000 0.000 0.239 89 D C 0.445 176.657 176.300 -0.146 0.000 1.136 89 D CA 0.496 54.464 54.000 -0.054 0.000 0.879 89 D CB 0.509 41.281 40.800 -0.047 0.000 1.195 89 D HN 0.423 nan 8.370 nan 0.000 0.443 90 N N 1.474 120.092 118.700 -0.136 0.000 2.818 90 N HA -0.187 4.553 4.740 -0.000 0.000 0.250 90 N C -0.572 174.842 175.510 -0.160 0.000 1.108 90 N CA 0.776 53.679 53.050 -0.245 0.000 0.745 90 N CB -0.597 37.482 38.487 -0.680 0.000 1.104 90 N HN 0.540 nan 8.380 nan 0.000 0.557 91 R N -0.459 120.033 120.500 -0.013 0.000 2.740 91 R HA 0.738 5.078 4.340 -0.000 0.000 0.273 91 R C -0.433 175.980 176.300 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 -0.461 119.611 119.914 0.265 0.000 2.841 92 V HA 0.711 4.831 4.120 -0.000 0.000 0.310 92 V C -1.352 174.848 176.094 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 33.841 31.823 0.101 0.000 1.014 92 V HN 0.603 nan 8.190 nan 0.000 0.425 93 L N 2.592 123.824 121.223 0.014 0.000 2.381 93 L HA 0.700 5.040 4.340 -0.000 0.000 0.274 93 L C -0.714 176.039 176.870 -0.195 0.000 0.988 93 L CA 0.055 54.755 54.840 -0.233 0.000 0.824 93 L CB 1.669 43.493 42.059 -0.392 0.000 1.263 93 L HN 0.921 nan 8.230 nan 0.000 0.410 94 D N 5.498 125.788 120.400 -0.182 0.000 2.380 94 D HA 0.123 4.763 4.640 -0.000 0.000 0.230 94 D C 1.222 177.422 176.300 -0.167 0.000 1.154 94 D CA -0.316 53.608 54.000 -0.127 0.000 0.859 94 D CB 1.029 41.795 40.800 -0.057 0.000 1.045 94 D HN 0.582 nan 8.370 nan 0.000 0.495 95 M N 2.828 122.309 119.600 -0.199 0.000 2.192 95 M HA -0.209 4.271 4.480 -0.000 0.000 0.259 95 M C 1.919 178.115 176.300 -0.172 0.000 1.071 95 M CA 0.928 56.086 55.300 -0.237 0.000 1.082 95 M CB -1.203 31.224 32.600 -0.287 0.000 1.373 95 M HN 0.512 nan 8.290 nan 0.000 0.408 96 A N -0.017 122.733 122.820 -0.116 0.000 2.076 96 A HA -0.104 4.216 4.320 -0.000 0.000 0.220 96 A C 2.185 179.774 177.584 0.008 0.000 1.160 96 A CA 1.879 53.880 52.037 -0.060 0.000 0.653 96 A CB -0.730 18.258 19.000 -0.020 0.000 0.801 96 A HN 0.617 nan 8.150 nan 0.000 0.455 97 S N -0.363 115.336 115.700 -0.002 0.000 2.634 97 S HA 0.158 4.628 4.470 -0.000 0.000 0.221 97 S C 0.652 175.315 174.600 0.105 0.000 0.952 97 S CA 0.409 58.658 58.200 0.081 0.000 0.930 97 S CB -1.008 62.224 63.200 0.054 0.000 0.780 97 S HN 0.639 nan 8.310 nan 0.000 0.498 98 T N -0.307 114.258 114.554 0.018 0.000 2.945 98 T HA 0.739 5.089 4.350 -0.000 0.000 0.286 98 T C -0.747 173.983 174.700 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 -0.146 0.000 2.620 99 Y HA 0.646 5.196 4.550 -0.000 0.000 0.331 99 Y C -2.229 173.556 175.900 -0.190 0.000 1.173 99 Y CA -2.367 55.641 58.100 -0.154 0.000 1.076 99 Y CB 0.522 39.112 38.460 0.217 0.000 1.336 99 Y HN 0.546 nan 8.280 nan 0.000 0.459 100 F N 1.972 122.061 119.950 0.231 0.000 2.404 100 F HA 0.340 4.867 4.527 -0.000 0.000 0.358 100 F C 0.120 176.035 175.800 0.192 0.000 1.120 100 F CA -0.477 57.588 58.000 0.108 0.000 1.144 100 F CB 0.914 39.965 39.000 0.086 0.000 1.133 100 F HN 0.565 nan 8.300 nan 0.000 0.495 101 D N 4.378 125.013 120.400 0.391 0.000 2.316 101 D HA 0.454 5.094 4.640 -0.000 0.000 0.245 101 D C -0.628 175.808 176.300 0.227 0.000 1.171 101 D CA 0.119 54.346 54.000 0.379 0.000 0.856 101 D CB 0.498 41.610 40.800 0.520 0.000 1.090 101 D HN 0.334 nan 8.370 nan 0.000 0.476 102 I N 3.699 124.363 120.570 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 -0.916 60.396 61.300 0.020 0.000 1.088 102 I CB 1.847 39.767 38.000 -0.134 0.000 1.267 102 I HN 0.152 nan 8.210 nan 0.000 0.430 103 R N 3.696 124.127 120.500 -0.115 0.000 2.621 103 R HA 0.844 5.184 4.340 -0.000 0.000 0.292 103 R C -0.387 175.649 176.300 -0.441 0.000 0.969 103 R CA -0.797 55.120 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 0.650 108.890 108.800 -0.934 0.000 2.561 104 G HA2 0.459 4.419 3.960 -0.000 0.000 0.310 104 G HA3 0.459 4.419 3.960 -0.000 0.000 0.310 104 G C -1.750 172.637 174.900 -0.855 0.000 1.292 104 G CA -0.442 44.174 45.100 -0.807 0.000 0.811 104 G HN 0.297 nan 8.290 nan 0.000 0.482 105 V N 0.154 119.881 119.914 -0.311 0.000 2.680 105 V HA 0.794 4.914 4.120 -0.000 0.000 0.309 105 V C -0.721 175.536 176.094 0.271 0.000 1.052 105 V CA -0.688 61.606 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 2.821 124.236 121.223 0.320 0.000 2.431 106 L HA 0.806 5.146 4.340 -0.000 0.000 0.266 106 L C -1.370 175.552 176.870 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 0.347 4.987 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 -0.383 53.630 54.000 0.022 0.000 0.854 107 D CB 1.502 42.385 40.800 0.138 0.000 1.076 107 D HN 0.624 nan 8.370 nan 0.000 0.533 108 R N 2.156 122.511 120.500 -0.242 0.000 2.328 108 R HA 0.266 4.606 4.340 -0.000 0.000 0.207 108 R C 1.352 177.543 176.300 -0.182 0.000 1.056 108 R CA 0.651 56.571 56.100 -0.300 0.000 1.016 108 R CB -0.193 29.753 30.300 -0.589 0.000 0.872 108 R HN 0.667 nan 8.270 nan 0.000 0.471 109 G N 0.083 108.790 108.800 -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 -2.100 172.726 174.900 -0.125 0.000 1.359 109 G CA -0.448 44.586 45.100 -0.110 0.000 0.861 109 G HN 0.031 nan 8.290 nan 0.000 0.541 110 P HA 0.027 nan 4.420 nan 0.000 0.231 110 P C 1.729 178.879 177.300 -0.249 0.000 1.168 110 P CA 2.235 65.251 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 -4.281 110.085 114.554 -0.313 0.000 3.148 111 T HA 0.021 4.371 4.350 -0.000 0.000 0.253 111 T C 0.301 174.644 174.700 -0.595 0.000 1.134 111 T CA -0.481 61.216 62.100 -0.672 0.000 1.051 111 T CB -1.122 67.344 68.868 -0.670 0.000 0.959 111 T HN -0.122 nan 8.240 nan 0.000 0.525 112 F N 2.592 122.275 119.950 -0.445 0.000 2.472 112 F HA 0.498 5.025 4.527 -0.000 0.000 0.364 112 F C 0.244 175.809 175.800 -0.393 0.000 1.090 112 F CA -1.085 56.697 58.000 -0.364 0.000 1.188 112 F CB 0.572 39.413 39.000 -0.265 0.000 1.105 112 F HN -0.005 nan 8.300 nan 0.000 0.536 113 K N 9.054 128.805 120.400 -1.081 0.000 2.803 113 K HA 0.311 4.631 4.320 -0.000 0.000 0.229 113 K C -2.624 173.211 176.600 -1.275 0.000 1.084 113 K CA -1.743 53.851 56.287 -1.154 0.000 1.063 113 K CB 1.316 33.318 32.500 -0.830 0.000 1.254 113 K HN 0.266 nan 8.250 nan 0.000 0.551 114 P HA -0.013 nan 4.420 nan 0.000 0.286 114 P C -1.297 175.760 177.300 -0.405 0.000 1.577 114 P CA 0.388 62.950 63.100 -0.897 0.000 0.805 114 P CB -0.802 30.741 31.700 -0.263 0.000 1.706 115 Y N -5.473 114.498 120.300 -0.548 0.000 2.810 115 Y HA 0.564 5.114 4.550 -0.000 0.000 0.355 115 Y C -1.063 174.709 175.900 -0.214 0.000 1.211 115 Y CA -1.377 56.583 58.100 -0.234 0.000 1.112 115 Y CB -0.142 38.235 38.460 -0.138 0.000 1.383 115 Y HN -0.374 nan 8.280 nan 0.000 0.458 116 S N 0.897 116.674 115.700 0.129 0.000 2.608 116 S HA 0.788 5.258 4.470 -0.000 0.000 0.291 116 S C 0.330 175.042 174.600 0.188 0.000 1.146 116 S CA 0.116 58.338 58.200 0.037 0.000 1.043 116 S CB 1.036 64.236 63.200 0.001 0.000 1.037 116 S HN 1.828 nan 8.310 nan 0.000 0.520 117 G N 1.944 110.818 108.800 0.123 0.000 2.632 117 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.224 117 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.224 117 G C -0.451 174.556 174.900 0.177 0.000 1.341 117 G CA -0.290 44.912 45.100 0.170 0.000 0.880 117 G HN 0.919 nan 8.290 nan 0.000 0.566 118 T N -0.831 113.753 114.554 0.050 0.000 2.940 118 T HA 0.770 5.120 4.350 -0.000 0.000 0.288 118 T C 1.086 175.652 174.700 -0.224 0.000 1.045 118 T CA 0.451 62.498 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 -0.212 122.353 122.820 -0.424 0.000 2.343 119 A HA 0.411 4.731 4.320 -0.000 0.000 0.223 119 A C -0.509 176.562 177.584 -0.855 0.000 1.214 119 A CA 0.127 51.712 52.037 -0.753 0.000 0.900 119 A CB -0.090 18.278 19.000 -1.054 0.000 0.942 119 A HN 0.725 nan 8.150 nan 0.000 0.507 120 Y N 0.330 120.546 120.300 -0.139 0.000 2.331 120 Y HA 0.396 4.946 4.550 -0.000 0.000 0.334 120 Y C 0.062 175.872 175.900 -0.150 0.000 0.960 120 Y CA -1.805 56.239 58.100 -0.093 0.000 1.130 120 Y CB 0.723 39.170 38.460 -0.021 0.000 1.164 120 Y HN 0.243 nan 8.280 nan 0.000 0.458 121 N N 0.955 119.703 118.700 0.079 0.000 2.714 121 N HA -0.228 4.512 4.740 -0.000 0.000 0.253 121 N C 0.908 176.454 175.510 0.060 0.000 1.024 121 N CA 0.799 53.894 53.050 0.075 0.000 0.726 121 N CB -0.715 37.840 38.487 0.114 0.000 0.908 121 N HN 0.914 nan 8.380 nan 0.000 0.542 122 A N -0.239 122.593 122.820 0.021 0.000 2.019 122 A HA -0.044 4.276 4.320 -0.000 0.000 0.219 122 A C 2.179 179.915 177.584 0.254 0.000 1.164 122 A CA 1.054 53.163 52.037 0.121 0.000 0.644 122 A CB -0.094 18.935 19.000 0.049 0.000 0.805 122 A HN 0.439 nan 8.150 nan 0.000 0.449 123 L N -0.786 120.536 121.223 0.164 0.000 2.492 123 L HA 0.144 4.484 4.340 -0.000 0.000 0.223 123 L C 1.413 178.372 176.870 0.147 0.000 1.132 123 L CA 0.030 54.952 54.840 0.138 0.000 0.850 123 L CB -0.469 41.645 42.059 0.093 0.000 0.966 123 L HN 0.353 nan 8.230 nan 0.000 0.454 124 A N 1.146 124.086 122.820 0.199 0.000 2.440 124 A HA 0.372 4.692 4.320 -0.000 0.000 0.251 124 A C -2.126 175.542 177.584 0.140 0.000 1.089 124 A CA -1.147 50.996 52.037 0.176 0.000 0.779 124 A CB -0.459 18.659 19.000 0.196 0.000 1.022 124 A HN -0.063 nan 8.150 nan 0.000 0.492 125 P HA 0.046 nan 4.420 nan 0.000 0.265 125 P C 0.264 177.539 177.300 -0.043 0.000 1.193 125 P CA 0.101 63.199 63.100 -0.003 0.000 0.765 125 P CB 0.405 32.111 31.700 0.009 0.000 0.823 126 K N 1.790 122.079 120.400 -0.185 0.000 2.442 126 K HA -0.090 4.230 4.320 -0.000 0.000 0.200 126 K C 1.705 178.249 176.600 -0.094 0.000 1.045 126 K CA 1.557 57.687 56.287 -0.262 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 0.390 109.160 108.800 -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 0.198 175.101 174.900 0.005 0.000 1.071 127 G CA -0.020 45.066 45.100 -0.022 0.000 0.806 127 G HN 0.260 nan 8.290 nan 0.000 0.538 128 A N 1.518 124.356 122.820 0.030 0.000 2.511 128 A HA 0.568 4.888 4.320 -0.000 0.000 0.242 128 A C -2.208 175.424 177.584 0.080 0.000 1.069 128 A CA -0.427 51.649 52.037 0.066 0.000 0.763 128 A CB 0.327 19.381 19.000 0.090 0.000 1.001 128 A HN 0.210 nan 8.150 nan 0.000 0.498 129 P HA 0.311 nan 4.420 nan 0.000 0.287 129 P C -0.800 176.592 177.300 0.153 0.000 1.290 129 P CA -1.029 62.127 63.100 0.095 0.000 0.889 129 P CB 0.974 32.696 31.700 0.037 0.000 1.190 130 N N 1.007 119.784 118.700 0.129 0.000 2.503 130 N HA 0.211 4.951 4.740 -0.000 0.000 0.267 130 N C -2.208 173.406 175.510 0.174 0.000 1.214 130 N CA -1.189 51.938 53.050 0.129 0.000 0.959 130 N CB -0.308 38.235 38.487 0.093 0.000 1.142 130 N HN 0.241 nan 8.380 nan 0.000 0.455 131 P HA 0.038 nan 4.420 nan 0.000 0.261 131 P C -0.180 177.226 177.300 0.176 0.000 1.203 131 P CA -0.114 63.081 63.100 0.158 0.000 0.767 131 P CB -0.034 31.704 31.700 0.064 0.000 0.785 132 C N 1.958 121.419 119.300 0.268 0.000 3.119 132 C HA 0.767 5.227 4.460 -0.000 0.000 0.359 132 C C -0.546 174.651 174.990 0.345 0.000 1.486 132 C CA -0.862 58.316 59.018 0.266 0.000 1.556 132 C CB 1.647 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 -0.704 119.703 120.200 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 0.426 0.000 0.895 133 E CA -0.165 56.418 56.400 0.305 0.000 0.753 133 E CB 2.315 32.101 29.700 0.144 0.000 1.216 133 E HN 0.865 nan 8.360 nan 0.000 0.434 134 W N 0.922 122.288 121.300 0.110 0.000 2.988 134 W HA 0.585 5.245 4.660 -0.000 0.000 0.355 134 W C -1.338 175.250 176.519 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 29.964 29.460 0.029 0.000 1.477 134 W HN 0.181 nan 8.180 nan 0.000 0.582 166 H N 0.471 119.167 119.070 -0.624 0.000 2.496 166 H HA 0.851 5.407 4.556 -0.000 0.000 0.342 166 H C -0.172 174.783 175.328 -0.622 0.000 1.170 166 H CA -0.752 54.827 56.048 -0.780 0.000 1.274 166 H CB 1.177 30.110 29.762 -1.381 0.000 1.538 166 H HN 0.360 nan 8.280 nan 0.000 0.542 167 V N 2.068 121.835 119.914 -0.245 0.000 2.789 167 V HA 0.319 4.439 4.120 -0.000 0.000 0.311 167 V C -1.409 174.761 176.094 0.127 0.000 1.073 167 V CA -0.753 61.514 62.300 -0.054 0.000 0.921 167 V CB 1.975 33.723 31.823 -0.125 0.000 1.009 167 V HN 0.653 nan 8.190 nan 0.000 0.426 168 F N 4.064 124.083 119.950 0.115 0.000 2.716 168 F HA 0.823 5.350 4.527 -0.000 0.000 0.354 168 F C 0.149 175.995 175.800 0.077 0.000 1.168 168 F CA 0.072 58.165 58.000 0.155 0.000 1.045 168 F CB 1.374 40.566 39.000 0.319 0.000 1.311 168 F HN 0.625 nan 8.300 nan 0.000 0.477 169 G N 3.739 112.286 108.800 -0.421 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 -2.105 172.590 174.900 -0.342 0.000 1.277 169 G CA -0.718 44.207 45.100 -0.293 0.000 0.795 169 G HN 0.554 nan 8.290 nan 0.000 0.528 170 Q N -1.298 118.392 119.800 -0.183 0.000 2.340 170 Q HA 0.606 4.946 4.340 -0.000 0.000 0.276 170 Q C -1.680 174.282 176.000 -0.064 0.000 1.048 170 Q CA -0.919 54.806 55.803 -0.130 0.000 0.832 170 Q CB 2.255 30.942 28.738 -0.085 0.000 1.373 170 Q HN 1.054 nan 8.270 nan 0.000 0.409 171 A N 4.103 126.897 122.820 -0.044 0.000 2.586 171 A HA 0.510 4.830 4.320 -0.000 0.000 0.320 171 A C -2.359 175.243 177.584 0.031 0.000 1.281 171 A CA -1.140 50.904 52.037 0.011 0.000 0.775 171 A CB 0.742 19.747 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 -0.043 177.297 177.300 0.067 0.000 1.199 172 P CA 0.419 63.548 63.100 0.049 0.000 0.807 172 P CB 0.048 31.779 31.700 0.053 0.000 1.002 173 Y N 1.685 121.989 120.300 0.007 0.000 2.359 173 Y HA 0.377 4.927 4.550 -0.000 0.000 0.334 173 Y C 0.328 176.243 175.900 0.025 0.000 1.058 173 Y CA -0.563 57.544 58.100 0.010 0.000 1.244 173 Y CB 0.671 39.131 38.460 0.001 0.000 1.187 173 Y HN -0.214 nan 8.280 nan 0.000 0.510 174 S N 5.429 120.779 115.700 -0.584 0.000 2.420 174 S HA 0.670 5.140 4.470 -0.000 0.000 0.313 174 S C 0.119 174.473 174.600 -0.411 0.000 1.079 174 S CA -0.178 57.829 58.200 -0.322 0.000 1.104 174 S CB -0.297 62.772 63.200 -0.217 0.000 0.969 174 S HN 1.053 nan 8.310 nan 0.000 0.471 175 G N 3.479 112.335 108.800 0.094 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 0.149 0.000 1.312 175 G CA -0.771 44.495 45.100 0.277 0.000 1.036 175 G HN 0.701 nan 8.290 nan 0.000 0.513 176 I N 0.295 120.916 120.570 0.085 0.000 2.339 176 I HA 0.163 4.333 4.170 -0.000 0.000 0.245 176 I C 1.572 177.505 176.117 -0.306 0.000 1.096 176 I CA 1.528 62.810 61.300 -0.030 0.000 1.408 176 I CB -0.152 37.836 38.000 -0.021 0.000 1.092 176 I HN 0.683 nan 8.210 nan 0.000 0.423 177 N N 0.172 118.667 118.700 -0.341 0.000 3.043 177 N HA 0.591 5.331 4.740 -0.000 0.000 0.243 177 N C -1.129 174.293 175.510 -0.146 0.000 1.347 177 N CA -0.676 51.968 53.050 -0.677 0.000 0.896 177 N CB 0.766 38.980 38.487 -0.454 0.000 1.501 177 N HN 0.035 nan 8.380 nan 0.000 0.504 178 I N 1.649 122.236 120.570 0.028 0.000 2.354 178 I HA 0.666 4.836 4.170 -0.000 0.000 0.286 178 I C 1.127 177.323 176.117 0.132 0.000 1.007 178 I CA -0.335 61.081 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 0.989 nan 8.210 nan 0.000 0.458 179 T N 2.851 117.472 114.554 0.112 0.000 2.819 179 T HA 0.582 4.932 4.350 -0.000 0.000 0.271 179 T C 1.157 175.834 174.700 -0.039 0.000 0.986 179 T CA -0.042 62.069 62.100 0.017 0.000 0.989 179 T CB 0.476 69.348 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 0.164 4.484 4.320 -0.000 0.000 0.193 180 K C 1.504 178.107 176.600 0.004 0.000 1.030 180 K CA 1.283 57.438 56.287 -0.219 0.000 1.026 180 K CB -0.399 31.974 32.500 -0.211 0.000 0.809 180 K HN 0.744 nan 8.250 nan 0.000 0.504 181 E N -0.796 119.444 120.200 0.066 0.000 2.479 181 E HA 0.279 4.629 4.350 -0.000 0.000 0.193 181 E C 0.775 177.477 176.600 0.171 0.000 1.049 181 E CA 0.142 56.602 56.400 0.100 0.000 0.870 181 E CB 0.278 30.011 29.700 0.055 0.000 0.944 181 E HN 0.630 nan 8.360 nan 0.000 0.492 182 G N 1.772 110.735 108.800 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 -0.477 44.780 45.100 0.262 0.000 1.116 182 G HN 0.175 nan 8.290 nan 0.000 0.547 183 I N 1.377 122.084 120.570 0.228 0.000 2.359 183 I HA 0.549 4.719 4.170 -0.000 0.000 0.294 183 I C 0.631 176.802 176.117 0.090 0.000 0.987 183 I CA -0.613 60.788 61.300 0.169 0.000 1.225 183 I CB 1.365 39.483 38.000 0.196 0.000 1.366 183 I HN 0.747 nan 8.210 nan 0.000 0.466 184 Q N 7.278 127.122 119.800 0.074 0.000 2.314 184 Q HA 0.257 4.597 4.340 -0.000 0.000 0.258 184 Q C 0.164 176.206 176.000 0.070 0.000 0.954 184 Q CA -0.098 55.730 55.803 0.042 0.000 0.890 184 Q CB 0.944 29.688 28.738 0.011 0.000 1.210 184 Q HN 0.823 nan 8.270 nan 0.000 0.410 185 I N 0.183 120.779 120.570 0.044 0.000 4.225 185 I HA 0.600 4.770 4.170 -0.000 0.000 0.327 185 I C 0.283 176.442 176.117 0.069 0.000 1.422 185 I CA -0.364 60.989 61.300 0.087 0.000 1.150 185 I CB 0.887 38.886 38.000 -0.002 0.000 1.192 185 I HN 0.567 nan 8.210 nan 0.000 0.440 194 Y N -0.115 120.182 120.300 -0.006 0.000 2.326 194 Y HA 0.830 5.380 4.550 -0.000 0.000 0.324 194 Y C 1.022 176.884 175.900 -0.063 0.000 1.291 194 Y CA -1.317 56.777 58.100 -0.010 0.000 1.348 194 Y CB 0.496 38.969 38.460 0.023 0.000 1.294 194 Y HN 1.424 nan 8.280 nan 0.000 0.525 195 A N 1.484 124.241 122.820 -0.105 0.000 2.371 195 A HA 0.411 4.731 4.320 -0.000 0.000 0.257 195 A C 0.040 177.467 177.584 -0.261 0.000 1.089 195 A CA 0.055 51.936 52.037 -0.259 0.000 0.794 195 A CB -0.034 18.719 19.000 -0.411 0.000 1.029 195 A HN 0.890 nan 8.150 nan 0.000 0.488 196 D N 2.425 122.587 120.400 -0.398 0.000 2.374 196 D HA 0.319 4.959 4.640 -0.000 0.000 0.240 196 D C 1.511 177.562 176.300 -0.414 0.000 1.229 196 D CA 0.554 54.358 54.000 -0.327 0.000 0.895 196 D CB 0.858 41.504 40.800 -0.257 0.000 1.046 196 D HN 0.622 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 1.857 178.384 176.600 -0.121 0.000 1.046 197 K CA 2.365 58.558 56.287 -0.157 0.000 0.929 197 K CB -1.667 30.898 32.500 0.108 0.000 0.720 197 K HN 0.715 nan 8.250 nan 0.000 0.453 198 T N -2.066 112.468 114.554 -0.032 0.000 2.849 198 T HA -0.063 4.287 4.350 -0.000 0.000 0.270 198 T C 1.612 176.392 174.700 0.132 0.000 1.066 198 T CA 1.609 63.753 62.100 0.074 0.000 1.130 198 T CB -0.425 68.530 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 0.515 5.042 4.527 -0.000 0.000 0.371 199 F C 0.076 175.762 175.800 -0.191 0.000 1.026 199 F CA -1.170 56.755 58.000 -0.125 0.000 1.106 199 F CB 0.273 39.222 39.000 -0.085 0.000 1.135 199 F HN 0.010 nan 8.300 nan 0.000 0.557 200 Q N 3.895 123.146 119.800 -0.915 0.000 2.256 200 Q HA 0.476 4.816 4.340 -0.000 0.000 0.257 200 Q C -2.637 172.814 176.000 -0.915 0.000 0.936 200 Q CA -2.238 53.046 55.803 -0.865 0.000 0.903 200 Q CB 1.823 29.967 28.738 -0.989 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 -0.978 176.172 177.300 -0.249 0.000 1.258 201 P CA -0.459 62.341 63.100 -0.499 0.000 0.811 201 P CB 0.754 32.202 31.700 -0.420 0.000 1.063 202 E N 1.682 121.812 120.200 -0.117 0.000 2.167 202 E HA 0.149 4.499 4.350 -0.000 0.000 0.284 202 E C -1.602 175.016 176.600 0.031 0.000 1.016 202 E CA -1.764 54.639 56.400 0.005 0.000 0.817 202 E CB 0.430 30.177 29.700 0.079 0.000 1.080 202 E HN 0.318 nan 8.360 nan 0.000 0.397 203 P HA -0.258 nan 4.420 nan 0.000 0.218 203 P C 0.861 178.197 177.300 0.059 0.000 1.146 203 P CA 1.437 64.564 63.100 0.046 0.000 0.813 203 P CB 0.173 31.899 31.700 0.043 0.000 0.778 204 Q N -0.779 119.058 119.800 0.062 0.000 2.224 204 Q HA -0.016 4.324 4.340 -0.000 0.000 0.203 204 Q C 0.955 176.997 176.000 0.070 0.000 0.970 204 Q CA 0.629 56.471 55.803 0.065 0.000 0.865 204 Q CB -0.497 28.279 28.738 0.064 0.000 0.922 204 Q HN 0.276 nan 8.270 nan 0.000 0.445 205 I N 1.385 122.008 120.570 0.087 0.000 2.395 205 I HA 0.455 4.625 4.170 -0.000 0.000 0.289 205 I C 0.430 176.608 176.117 0.102 0.000 1.023 205 I CA -0.250 61.114 61.300 0.106 0.000 1.350 205 I CB 1.003 39.099 38.000 0.161 0.000 1.409 205 I HN 0.148 nan 8.210 nan 0.000 0.507 206 G N 3.424 112.258 108.800 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 -0.898 173.984 174.900 -0.030 0.000 1.362 206 G CA -0.310 44.802 45.100 0.019 0.000 0.809 206 G HN 0.674 nan 8.290 nan 0.000 0.522 207 E N -1.101 119.066 120.200 -0.054 0.000 2.343 207 E HA 0.596 4.946 4.350 -0.000 0.000 0.269 207 E C 1.304 177.864 176.600 -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 1.336 nan 8.360 nan 0.000 0.409 208 S N 0.390 116.041 115.700 -0.081 0.000 2.395 208 S HA 0.301 4.771 4.470 -0.000 0.000 0.225 208 S C 1.689 176.237 174.600 -0.088 0.000 1.027 208 S CA 1.455 59.618 58.200 -0.060 0.000 0.965 208 S CB -0.367 62.804 63.200 -0.048 0.000 0.812 208 S HN 1.225 nan 8.310 nan 0.000 0.482 209 Q N 0.525 120.200 119.800 -0.209 0.000 2.471 209 Q HA 0.438 4.778 4.340 -0.000 0.000 0.223 209 Q C 0.729 176.566 176.000 -0.272 0.000 1.045 209 Q CA 0.248 55.811 55.803 -0.400 0.000 0.956 209 Q CB -0.569 27.628 28.738 -0.903 0.000 1.249 209 Q HN 1.011 nan 8.270 nan 0.000 0.549 210 W N -0.674 120.428 121.300 -0.330 0.000 3.058 210 W HA 0.229 4.889 4.660 -0.000 0.000 0.306 210 W C 0.134 176.610 176.519 -0.071 0.000 1.188 210 W CA 0.225 57.489 57.345 -0.134 0.000 1.651 210 W CB 0.064 29.510 29.460 -0.024 0.000 1.051 210 W HN 0.787 nan 8.180 nan 0.000 0.592 211 Y N 0.850 120.778 120.300 -0.620 0.000 2.565 211 Y HA 0.697 5.247 4.550 -0.000 0.000 0.325 211 Y C 0.326 176.072 175.900 -0.258 0.000 1.221 211 Y CA -1.836 55.921 58.100 -0.572 0.000 1.316 211 Y CB -0.668 37.168 38.460 -1.041 0.000 1.404 211 Y HN -0.066 nan 8.280 nan 0.000 0.527 212 E N -0.783 119.520 120.200 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 -0.204 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 0.056 114.654 114.554 0.074 0.000 2.990 213 T HA 0.508 4.858 4.350 -0.000 0.000 0.249 213 T C 1.035 175.746 174.700 0.019 0.000 1.039 213 T CA 1.847 63.987 62.100 0.067 0.000 1.036 213 T CB -0.142 68.729 68.868 0.006 0.000 0.994 213 T HN 1.981 nan 8.240 nan 0.000 0.489 214 E N -1.017 119.184 120.200 0.001 0.000 5.278 214 E HA 0.312 4.662 4.350 -0.000 0.000 0.173 214 E C 0.033 176.619 176.600 -0.024 0.000 1.365 214 E CA 0.480 56.873 56.400 -0.013 0.000 1.205 214 E CB -2.904 26.789 29.700 -0.011 0.000 1.015 214 E HN 2.026 nan 8.360 nan 0.000 0.350 215 I N 2.044 122.594 120.570 -0.033 0.000 2.337 215 I HA 0.569 4.739 4.170 -0.000 0.000 0.291 215 I C 1.108 177.181 176.117 -0.073 0.000 1.046 215 I CA 0.101 61.377 61.300 -0.041 0.000 1.324 215 I CB 0.797 38.775 38.000 -0.037 0.000 1.409 215 I HN 0.670 nan 8.210 nan 0.000 0.494 216 N N 2.225 120.850 118.700 -0.124 0.000 2.432 216 N HA 0.022 4.762 4.740 -0.000 0.000 0.174 216 N C -0.186 175.001 175.510 -0.538 0.000 1.037 216 N CA 0.791 53.644 53.050 -0.328 0.000 0.892 216 N CB 0.349 38.600 38.487 -0.394 0.000 1.049 216 N HN 0.914 nan 8.380 nan 0.000 0.442 217 H N 0.260 119.358 119.070 0.046 0.000 2.697 217 H HA 0.555 5.111 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 0.079 0.000 1.322 217 H CB 0.992 30.807 29.762 0.089 0.000 1.405 217 H HN 0.101 nan 8.280 nan 0.000 0.502 218 A N 2.240 125.149 122.820 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 -0.399 51.725 52.037 0.145 0.000 0.821 218 A CB 0.759 19.798 19.000 0.065 0.000 1.170 218 A HN 0.684 nan 8.150 nan 0.000 0.490 219 A N 0.677 123.634 122.820 0.228 0.000 2.435 219 A HA 0.932 5.252 4.320 -0.000 0.000 0.304 219 A C 0.036 177.722 177.584 0.169 0.000 1.064 219 A CA -0.002 52.165 52.037 0.217 0.000 0.727 219 A CB 1.665 20.810 19.000 0.243 0.000 1.284 219 A HN 2.086 nan 8.150 nan 0.000 0.415 220 G N -0.156 108.735 108.800 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 -1.403 173.580 174.900 0.139 0.000 1.392 220 G CA -0.747 44.414 45.100 0.102 0.000 0.810 220 G HN 0.772 nan 8.290 nan 0.000 0.508 221 R N -1.211 119.337 120.500 0.080 0.000 2.621 221 R HA 0.731 5.071 4.340 -0.000 0.000 0.292 221 R C -1.428 174.908 176.300 0.060 0.000 0.969 221 R CA -0.537 55.611 56.100 0.080 0.000 0.887 221 R CB 2.106 32.431 30.300 0.042 0.000 1.180 221 R HN 0.696 nan 8.270 nan 0.000 0.450 222 V N 5.092 125.046 119.914 0.067 0.000 3.147 222 V HA 0.531 4.651 4.120 -0.000 0.000 0.306 222 V C -1.579 174.555 176.094 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 4.530 125.799 121.223 0.077 0.000 2.289 223 L HA 0.543 4.883 4.340 -0.000 0.000 0.285 223 L C 0.299 177.222 176.870 0.088 0.000 1.049 223 L CA -0.521 54.363 54.840 0.074 0.000 0.804 223 L CB 1.258 43.361 42.059 0.072 0.000 1.195 223 L HN 0.590 nan 8.230 nan 0.000 0.428 224 K N 2.159 122.603 120.400 0.073 0.000 2.276 224 K HA 0.048 4.368 4.320 -0.000 0.000 0.259 224 K C 0.977 177.632 176.600 0.092 0.000 1.001 224 K CA -0.406 55.926 56.287 0.075 0.000 0.927 224 K CB 0.679 33.213 32.500 0.056 0.000 0.969 224 K HN 0.521 nan 8.250 nan 0.000 0.490 225 K N 0.154 120.615 120.400 0.102 0.000 2.585 225 K HA -0.100 4.220 4.320 -0.000 0.000 0.194 225 K C 0.684 177.339 176.600 0.092 0.000 1.037 225 K CA 1.520 57.881 56.287 0.124 0.000 0.964 225 K CB -0.244 32.333 32.500 0.128 0.000 0.787 225 K HN 0.621 nan 8.250 nan 0.000 0.488 226 T N -2.117 112.478 114.554 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 -0.103 62.029 62.100 0.052 0.000 1.038 226 T CB 0.145 69.038 68.868 0.041 0.000 0.962 226 T HN 0.017 nan 8.240 nan 0.000 0.516 227 T N 4.957 119.542 114.554 0.051 0.000 2.743 227 T HA 0.426 4.776 4.350 -0.000 0.000 0.292 227 T C -2.671 172.056 174.700 0.046 0.000 0.972 227 T CA -1.413 60.712 62.100 0.041 0.000 0.967 227 T CB 1.257 70.147 68.868 0.037 0.000 0.926 227 T HN 0.121 nan 8.240 nan 0.000 0.459 228 P HA 0.025 nan 4.420 nan 0.000 0.264 228 P C -0.278 177.039 177.300 0.028 0.000 1.179 228 P CA 0.098 63.214 63.100 0.028 0.000 0.763 228 P CB 0.371 32.081 31.700 0.018 0.000 0.806 229 M N 2.809 122.421 119.600 0.020 0.000 2.211 229 M HA 0.252 4.732 4.480 -0.000 0.000 0.356 229 M C 0.565 176.868 176.300 0.005 0.000 1.216 229 M CA 0.471 55.779 55.300 0.013 0.000 1.134 229 M CB 0.432 33.020 32.600 -0.020 0.000 1.564 229 M HN 0.135 nan 8.290 nan 0.000 0.463 230 K N 2.935 123.346 120.400 0.019 0.000 2.527 230 K HA 0.556 4.876 4.320 -0.000 0.000 0.260 230 K C -2.822 173.804 176.600 0.044 0.000 0.937 230 K CA -1.876 54.427 56.287 0.026 0.000 0.826 230 K CB 1.662 34.181 32.500 0.032 0.000 1.359 230 K HN 0.220 nan 8.250 nan 0.000 0.434 231 P HA 0.063 nan 4.420 nan 0.000 0.269 231 P C 1.005 178.374 177.300 0.114 0.000 1.209 231 P CA -0.283 62.866 63.100 0.082 0.000 0.776 231 P CB 0.586 32.343 31.700 0.093 0.000 0.876 232 C N 3.120 122.496 119.300 0.127 0.000 2.398 232 C HA -0.190 4.270 4.460 -0.000 0.000 0.276 232 C C 1.450 176.540 174.990 0.167 0.000 1.222 232 C CA 0.526 59.626 59.018 0.135 0.000 1.746 232 C CB -1.656 26.165 27.740 0.136 0.000 2.039 232 C HN 0.546 nan 8.230 nan 0.000 0.470 233 Y N 1.075 121.415 120.300 0.068 0.000 2.745 233 Y HA 0.379 4.929 4.550 -0.000 0.000 0.335 233 Y C 1.189 177.146 175.900 0.095 0.000 1.212 233 Y CA 1.154 59.300 58.100 0.076 0.000 1.535 233 Y CB -0.078 38.410 38.460 0.047 0.000 1.220 233 Y HN 0.634 nan 8.280 nan 0.000 0.531 234 G N 3.071 111.747 108.800 -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 0.166 175.108 174.900 0.071 0.000 0.979 234 G CA 0.144 45.205 45.100 -0.065 0.000 0.641 234 G HN 0.703 nan 8.290 nan 0.000 0.530 235 S N 0.039 115.779 115.700 0.067 0.000 2.528 235 S HA 0.586 5.056 4.470 -0.000 0.000 0.277 235 S C -0.500 174.087 174.600 -0.022 0.000 1.297 235 S CA 0.041 58.260 58.200 0.032 0.000 1.052 235 S CB 1.120 64.346 63.200 0.043 0.000 0.917 235 S HN 0.799 nan 8.310 nan 0.000 0.492 236 Y N 1.240 121.367 120.300 -0.288 0.000 2.544 236 Y HA 0.599 5.149 4.550 -0.000 0.000 0.342 236 Y C -1.243 174.506 175.900 -0.252 0.000 1.062 236 Y CA -0.802 57.024 58.100 -0.457 0.000 1.023 236 Y CB 1.277 39.052 38.460 -1.141 0.000 1.308 236 Y HN 0.676 nan 8.280 nan 0.000 0.457 237 A N 5.859 128.003 122.820 -1.127 0.000 2.466 237 A HA 0.458 4.778 4.320 -0.000 0.000 0.284 237 A C -1.449 175.593 177.584 -0.904 0.000 1.049 237 A CA -0.969 50.590 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 3.190 123.162 120.400 -0.714 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 -0.185 0.000 0.993 238 K CA -0.543 55.548 56.287 -0.327 0.000 1.030 238 K CB 0.128 32.592 32.500 -0.060 0.000 0.891 238 K HN 0.308 nan 8.250 nan 0.000 0.488 239 P HA -0.017 nan 4.420 nan 0.000 0.271 239 P C 0.006 177.284 177.300 -0.037 0.000 1.216 239 P CA -0.293 62.771 63.100 -0.060 0.000 0.776 239 P CB 1.097 32.781 31.700 -0.028 0.000 0.881 240 T N -1.904 112.633 114.554 -0.028 0.000 3.044 240 T HA 0.202 4.552 4.350 -0.000 0.000 0.260 240 T C 0.213 174.907 174.700 -0.011 0.000 1.019 240 T CA -0.278 61.813 62.100 -0.015 0.000 0.921 240 T CB -0.743 68.119 68.868 -0.010 0.000 1.053 240 T HN 0.595 nan 8.240 nan 0.000 0.533 241 N N -1.518 117.170 118.700 -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 -0.304 52.725 53.050 -0.035 0.000 0.838 241 N CB 0.692 39.166 38.487 -0.022 0.000 1.593 241 N HN -0.078 nan 8.380 nan 0.000 0.485 242 E N 0.170 120.319 120.200 -0.085 0.000 2.393 242 E HA -0.215 4.135 4.350 -0.000 0.000 0.201 242 E C 0.418 176.911 176.600 -0.178 0.000 1.025 242 E CA 1.592 57.928 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 -0.970 117.569 118.700 -0.268 0.000 2.270 243 N HA 0.235 4.975 4.740 -0.000 0.000 0.198 243 N C 1.345 176.710 175.510 -0.242 0.000 1.117 243 N CA 0.777 53.552 53.050 -0.459 0.000 0.845 243 N CB 1.244 38.991 38.487 -1.234 0.000 0.980 243 N HN 0.578 nan 8.380 nan 0.000 0.486 244 G N 0.100 108.835 108.800 -0.108 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 0.004 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 -0.183 108.637 108.800 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 0.564 45.698 45.100 0.057 0.000 0.884 245 G HN 0.579 nan 8.290 nan 0.000 0.537 246 Q N 1.199 120.992 119.800 -0.012 0.000 2.179 246 Q HA 0.227 4.567 4.340 -0.000 0.000 0.213 246 Q C 1.289 177.270 176.000 -0.031 0.000 0.833 246 Q CA -0.156 55.618 55.803 -0.048 0.000 0.990 246 Q CB 1.167 29.846 28.738 -0.098 0.000 1.132 246 Q HN 0.606 nan 8.270 nan 0.000 0.493 247 G N 1.153 109.951 108.800 -0.003 0.000 2.340 247 G HA2 0.219 4.179 3.960 -0.000 0.000 0.245 247 G HA3 0.219 4.179 3.960 -0.000 0.000 0.245 247 G C -0.187 174.715 174.900 0.003 0.000 1.294 247 G CA -0.397 44.708 45.100 0.007 0.000 0.896 247 G HN 0.199 nan 8.290 nan 0.000 0.522 248 I N 1.168 121.739 120.570 0.002 0.000 2.710 248 I HA 0.002 4.172 4.170 -0.000 0.000 0.286 248 I C 0.583 176.706 176.117 0.009 0.000 1.181 248 I CA 0.391 61.692 61.300 0.002 0.000 1.430 248 I CB 0.665 38.667 38.000 0.003 0.000 1.367 248 I HN 0.214 nan 8.210 nan 0.000 0.577 249 L N 6.833 128.061 121.223 0.008 0.000 2.295 249 L HA 0.475 4.815 4.340 -0.000 0.000 0.285 249 L C -0.126 176.750 176.870 0.011 0.000 1.035 249 L CA -0.637 54.210 54.840 0.011 0.000 0.806 249 L CB 1.422 43.486 42.059 0.010 0.000 1.214 249 L HN 0.320 nan 8.230 nan 0.000 0.426 259 S N 0.160 115.874 115.700 0.025 0.000 2.549 259 S HA 0.226 4.696 4.470 -0.000 0.000 0.283 259 S C 0.691 175.309 174.600 0.030 0.000 1.320 259 S CA 0.251 58.468 58.200 0.030 0.000 1.058 259 S CB 0.850 64.072 63.200 0.037 0.000 0.882 259 S HN 0.486 nan 8.310 nan 0.000 0.498 260 Q N 2.920 122.738 119.800 0.030 0.000 2.172 260 Q HA 0.190 4.530 4.340 -0.000 0.000 0.217 260 Q C -0.312 175.709 176.000 0.035 0.000 0.832 260 Q CA -0.215 55.605 55.803 0.029 0.000 1.010 260 Q CB 0.733 29.485 28.738 0.023 0.000 1.133 260 Q HN 0.588 nan 8.270 nan 0.000 0.489 261 V N 1.754 121.696 119.914 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 0.655 62.993 62.300 0.063 0.000 1.138 261 V CB 0.612 32.496 31.823 0.102 0.000 0.940 261 V HN 0.390 nan 8.190 nan 0.000 0.489 262 E N 4.951 125.165 120.200 0.023 0.000 2.281 262 E HA 0.636 4.986 4.350 -0.000 0.000 0.266 262 E C -0.602 175.933 176.600 -0.110 0.000 0.893 262 E CA -0.834 55.554 56.400 -0.020 0.000 0.798 262 E CB 1.486 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 0.953 120.425 119.600 -0.213 0.000 2.243 263 M HA 0.441 4.921 4.480 -0.000 0.000 0.341 263 M C 0.057 176.122 176.300 -0.391 0.000 1.130 263 M CA -0.099 54.899 55.300 -0.504 0.000 1.162 263 M CB 0.391 32.484 32.600 -0.845 0.000 1.497 263 M HN 0.498 nan 8.290 nan 0.000 0.456 264 Q N 2.170 121.669 119.800 -0.501 0.000 2.309 264 Q HA 0.536 4.876 4.340 -0.000 0.000 0.270 264 Q C -1.646 174.011 176.000 -0.573 0.000 1.023 264 Q CA -0.392 55.193 55.803 -0.364 0.000 0.758 264 Q CB 1.829 30.504 28.738 -0.106 0.000 1.247 264 Q HN 0.528 nan 8.270 nan 0.000 0.455 265 F N 1.903 121.571 119.950 -0.469 0.000 2.379 265 F HA 0.593 5.120 4.527 -0.000 0.000 0.332 265 F C -0.166 175.216 175.800 -0.697 0.000 1.096 265 F CA -0.465 57.316 58.000 -0.366 0.000 1.105 265 F CB 0.689 39.566 39.000 -0.204 0.000 1.189 265 F HN 0.371 nan 8.300 nan 0.000 0.515 266 F N -0.063 119.953 119.950 0.110 0.000 2.613 266 F HA 0.647 5.174 4.527 -0.000 0.000 0.310 266 F C -0.126 175.700 175.800 0.043 0.000 1.085 266 F CA -0.715 57.312 58.000 0.044 0.000 0.945 266 F CB 2.207 41.202 39.000 -0.008 0.000 1.298 266 F HN 0.306 nan 8.300 nan 0.000 0.455 267 S N -0.557 115.271 115.700 0.213 0.000 2.651 267 S HA 0.580 5.050 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 -0.491 57.778 58.200 0.115 0.000 0.837 267 S CB 1.856 65.096 63.200 0.066 0.000 1.138 267 S HN 0.764 nan 8.310 nan 0.000 0.478 268 T N 0.370 114.955 114.554 0.051 0.000 4.971 268 T HA 0.465 4.815 4.350 -0.000 0.000 0.217 268 T C 0.922 175.639 174.700 0.029 0.000 0.770 268 T CA 0.890 63.010 62.100 0.033 0.000 2.187 268 T CB -1.186 67.692 68.868 0.016 0.000 1.552 268 T HN 0.883 nan 8.240 nan 0.000 0.277 279 L N -0.145 121.075 121.223 -0.005 0.000 2.999 279 L HA 0.489 4.829 4.340 -0.000 0.000 0.304 279 L C 1.170 178.038 176.870 -0.005 0.000 1.104 279 L CA 1.537 56.373 54.840 -0.008 0.000 0.911 279 L CB -1.403 40.644 42.059 -0.020 0.000 1.341 279 L HN 2.407 nan 8.230 nan 0.000 0.487 280 T N 3.833 118.393 114.554 0.010 0.000 3.548 280 T HA 0.629 4.979 4.350 -0.000 0.000 0.329 280 T C -2.085 172.648 174.700 0.054 0.000 0.960 280 T CA -0.793 61.324 62.100 0.028 0.000 1.041 280 T CB 0.787 69.681 68.868 0.043 0.000 1.065 280 T HN 0.741 nan 8.240 nan 0.000 0.459 281 P HA 0.330 nan 4.420 nan 0.000 0.261 281 P C 0.857 178.243 177.300 0.143 0.000 1.183 281 P CA 0.133 63.320 63.100 0.144 0.000 0.761 281 P CB 0.664 32.517 31.700 0.255 0.000 0.785 282 K N 1.997 122.461 120.400 0.107 0.000 2.323 282 K HA 0.249 4.569 4.320 -0.000 0.000 0.197 282 K C 0.767 177.413 176.600 0.077 0.000 1.043 282 K CA 0.780 57.089 56.287 0.037 0.000 0.997 282 K CB 0.178 32.678 32.500 -0.001 0.000 0.807 282 K HN 0.399 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 -1.383 174.812 176.094 0.168 0.000 1.104 283 V CA -0.718 61.664 62.300 0.137 0.000 0.954 283 V CB 1.971 33.840 31.823 0.076 0.000 1.022 283 V HN 0.295 nan 8.190 nan 0.000 0.427 284 V N 5.754 125.700 119.914 0.053 0.000 2.686 284 V HA 0.716 4.836 4.120 -0.000 0.000 0.306 284 V C -1.601 174.393 176.094 -0.168 0.000 1.065 284 V CA -0.320 61.855 62.300 -0.208 0.000 0.894 284 V CB 1.886 33.417 31.823 -0.485 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 0.586 4.926 4.340 -0.000 0.000 0.274 285 L C -1.382 175.317 176.870 -0.285 0.000 1.007 285 L CA -0.752 54.025 54.840 -0.105 0.000 0.818 285 L CB 2.268 44.335 42.059 0.012 0.000 1.284 285 L HN 0.658 nan 8.230 nan 0.000 0.424 286 Y N 1.006 121.256 120.300 -0.083 0.000 2.676 286 Y HA 0.194 4.744 4.550 -0.000 0.000 0.338 286 Y C 0.857 176.734 175.900 -0.039 0.000 1.057 286 Y CA -0.649 57.403 58.100 -0.080 0.000 1.314 286 Y CB 0.790 39.195 38.460 -0.092 0.000 1.164 286 Y HN 0.501 nan 8.280 nan 0.000 0.509 287 S N 3.155 118.875 115.700 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 -0.561 57.666 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 1.129 121.361 120.200 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 55.419 56.400 0.044 0.000 0.812 288 E CB 0.897 30.624 29.700 0.046 0.000 1.313 288 E HN 0.463 nan 8.360 nan 0.000 0.456 289 D N 1.224 121.641 120.400 0.028 0.000 2.256 289 D HA 0.428 5.068 4.640 -0.000 0.000 0.240 289 D C -0.456 175.848 176.300 0.006 0.000 1.062 289 D CA -0.291 53.722 54.000 0.021 0.000 0.832 289 D CB 1.982 42.794 40.800 0.021 0.000 1.135 289 D HN 0.454 nan 8.370 nan 0.000 0.484 290 V N -0.382 119.530 119.914 -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 2.353 34.145 31.823 -0.050 0.000 1.058 290 V HN 0.292 nan 8.190 nan 0.000 0.440 291 D N 2.160 122.526 120.400 -0.058 0.000 2.619 291 D HA 0.224 4.864 4.640 -0.000 0.000 0.224 291 D C 0.033 176.292 176.300 -0.068 0.000 1.133 291 D CA -0.067 53.904 54.000 -0.048 0.000 1.017 291 D CB 0.032 40.807 40.800 -0.042 0.000 1.077 291 D HN 0.662 nan 8.370 nan 0.000 0.503 292 I N 2.446 122.987 120.570 -0.048 0.000 2.598 292 I HA -0.032 4.138 4.170 -0.000 0.000 0.284 292 I C 0.254 176.364 176.117 -0.011 0.000 1.140 292 I CA 0.551 61.824 61.300 -0.045 0.000 1.420 292 I CB 0.301 38.288 38.000 -0.022 0.000 1.387 292 I HN 0.225 nan 8.210 nan 0.000 0.553 293 E N 3.710 123.911 120.200 0.002 0.000 2.433 293 E HA 0.573 4.923 4.350 -0.000 0.000 0.273 293 E C -1.040 175.583 176.600 0.038 0.000 0.950 293 E CA -0.905 55.522 56.400 0.044 0.000 0.796 293 E CB 1.681 31.439 29.700 0.097 0.000 1.330 293 E HN 0.461 nan 8.360 nan 0.000 0.455 294 T N -2.245 112.335 114.554 0.043 0.000 3.631 294 T HA 0.247 4.597 4.350 -0.000 0.000 0.256 294 T C -2.315 172.422 174.700 0.061 0.000 1.187 294 T CA -1.244 60.886 62.100 0.051 0.000 1.667 294 T CB 0.477 69.381 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 0.053 0.000 1.148 295 P CA 1.212 64.338 63.100 0.045 0.000 0.779 295 P CB 0.049 31.764 31.700 0.024 0.000 0.780 296 D N -2.270 118.186 120.400 0.093 0.000 2.594 296 D HA 0.062 4.702 4.640 -0.000 0.000 0.256 296 D C 0.021 176.373 176.300 0.086 0.000 1.393 296 D CA -0.263 53.770 54.000 0.055 0.000 0.797 296 D CB -0.367 40.465 40.800 0.054 0.000 1.110 296 D HN 0.127 nan 8.370 nan 0.000 0.495 297 T N -2.732 111.897 114.554 0.124 0.000 2.865 297 T HA 0.644 4.994 4.350 -0.000 0.000 0.294 297 T C -0.627 174.205 174.700 0.220 0.000 1.119 297 T CA -0.831 61.372 62.100 0.171 0.000 1.007 297 T CB 2.587 71.533 68.868 0.129 0.000 1.225 297 T HN 0.312 nan 8.240 nan 0.000 0.515 298 H N -0.598 118.503 119.070 0.051 0.000 2.977 298 H HA 0.530 5.086 4.556 -0.000 0.000 0.350 298 H C -1.185 174.160 175.328 0.029 0.000 1.238 298 H CA -1.459 54.603 56.048 0.022 0.000 1.124 298 H CB 0.805 30.558 29.762 -0.016 0.000 1.866 298 H HN 0.580 nan 8.280 nan 0.000 0.550 299 I N 2.783 123.356 120.570 0.004 0.000 2.379 299 I HA -0.035 4.135 4.170 -0.000 0.000 0.290 299 I C 1.568 177.631 176.117 -0.091 0.000 1.063 299 I CA 0.174 61.443 61.300 -0.052 0.000 1.351 299 I CB 0.994 38.982 38.000 -0.020 0.000 1.410 299 I HN 0.750 nan 8.210 nan 0.000 0.505 300 S N 6.032 121.658 115.700 -0.122 0.000 2.528 300 S HA -0.037 4.433 4.470 -0.000 0.000 0.219 300 S C 0.215 174.864 174.600 0.081 0.000 0.985 300 S CA 0.244 58.398 58.200 -0.076 0.000 0.914 300 S CB -0.053 63.077 63.200 -0.117 0.000 0.776 300 S HN 0.618 nan 8.310 nan 0.000 0.526 301 Y N 1.157 121.414 120.300 -0.072 0.000 2.294 301 Y HA 0.545 5.095 4.550 -0.000 0.000 0.329 301 Y C -1.170 174.702 175.900 -0.046 0.000 1.135 301 Y CA -1.196 56.873 58.100 -0.050 0.000 1.213 301 Y CB 0.977 39.403 38.460 -0.056 0.000 1.141 301 Y HN 0.057 nan 8.280 nan 0.000 0.446 302 M N 8.611 127.872 119.600 -0.564 0.000 2.084 302 M HA 0.353 4.833 4.480 -0.000 0.000 0.351 302 M C -1.951 173.873 176.300 -0.794 0.000 1.240 302 M CA -2.806 52.191 55.300 -0.505 0.000 1.083 302 M CB 1.141 33.586 32.600 -0.258 0.000 1.593 302 M HN 0.444 nan 8.290 nan 0.000 0.463 303 P HA 0.090 nan 4.420 nan 0.000 0.235 303 P C -0.663 176.490 177.300 -0.244 0.000 1.177 303 P CA 0.636 63.449 63.100 -0.478 0.000 0.785 303 P CB 0.435 32.006 31.700 -0.216 0.000 0.885 304 T N -2.113 112.316 114.554 -0.208 0.000 3.097 304 T HA 0.423 4.773 4.350 -0.000 0.000 0.332 304 T C 0.502 175.136 174.700 -0.109 0.000 1.269 304 T CA -0.425 61.597 62.100 -0.131 0.000 1.076 304 T CB 1.089 69.895 68.868 -0.102 0.000 1.209 304 T HN -0.178 nan 8.240 nan 0.000 0.474 305 I N -0.786 119.735 120.570 -0.081 0.000 3.688 305 I HA 0.697 4.867 4.170 -0.000 0.000 0.307 305 I C 0.989 177.078 176.117 -0.047 0.000 1.287 305 I CA -0.080 61.183 61.300 -0.061 0.000 1.192 305 I CB -2.030 35.942 38.000 -0.047 0.000 1.043 305 I HN 0.867 nan 8.210 nan 0.000 0.442 306 K N 0.870 121.238 120.400 -0.053 0.000 2.293 306 K HA 0.764 5.084 4.320 -0.000 0.000 0.267 306 K C 0.257 176.834 176.600 -0.038 0.000 1.010 306 K CA 0.127 56.390 56.287 -0.039 0.000 0.875 306 K CB -0.423 32.054 32.500 -0.038 0.000 1.106 306 K HN 1.476 nan 8.250 nan 0.000 0.450 307 E N 0.258 120.443 120.200 -0.024 0.000 2.447 307 E HA 0.515 4.865 4.350 -0.000 0.000 0.259 307 E C 0.995 177.588 176.600 -0.011 0.000 1.196 307 E CA 0.292 56.682 56.400 -0.017 0.000 0.995 307 E CB -0.246 29.451 29.700 -0.006 0.000 0.974 307 E HN 2.400 nan 8.360 nan 0.000 0.465 308 G N 0.525 109.324 108.800 -0.002 0.000 2.722 308 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.686 308 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.686 308 G C -0.361 174.540 174.900 0.002 0.000 1.282 308 G CA -0.223 44.885 45.100 0.013 0.000 0.817 308 G HN 0.957 nan 8.290 nan 0.000 0.605 309 N N 0.187 118.906 118.700 0.031 0.000 2.492 309 N HA 0.568 5.308 4.740 -0.000 0.000 0.262 309 N C 0.562 176.066 175.510 -0.009 0.000 1.202 309 N CA 0.667 53.728 53.050 0.018 0.000 0.926 309 N CB 1.513 40.064 38.487 0.106 0.000 1.078 309 N HN 1.332 nan 8.380 nan 0.000 0.454 310 S N -0.634 114.928 115.700 -0.230 0.000 2.588 310 S HA 0.620 5.090 4.470 -0.000 0.000 0.269 310 S C 0.950 174.990 174.600 -0.934 0.000 1.157 310 S CA -0.318 57.630 58.200 -0.419 0.000 0.824 310 S CB 1.021 64.105 63.200 -0.193 0.000 1.126 310 S HN 0.573 nan 8.310 nan 0.000 0.464 311 R N 0.393 120.231 120.500 -1.103 0.000 2.139 311 R HA 0.039 4.379 4.340 -0.000 0.000 0.243 311 R C 2.477 178.429 176.300 -0.580 0.000 1.145 311 R CA 3.251 58.727 56.100 -1.040 0.000 0.976 311 R CB -2.385 27.676 30.300 -0.399 0.000 0.866 311 R HN 1.239 nan 8.270 nan 0.000 0.449 312 E N 1.094 121.068 120.200 -0.377 0.000 2.070 312 E HA -0.088 4.262 4.350 -0.000 0.000 0.197 312 E C 2.166 178.625 176.600 -0.235 0.000 1.004 312 E CA 1.446 57.703 56.400 -0.238 0.000 0.805 312 E CB -0.675 28.924 29.700 -0.169 0.000 0.744 312 E HN 0.662 nan 8.360 nan 0.000 0.451 313 L N -0.215 120.846 121.223 -0.271 0.000 2.450 313 L HA -0.064 4.276 4.340 -0.000 0.000 0.224 313 L C 2.782 179.523 176.870 -0.215 0.000 1.149 313 L CA 0.710 55.421 54.840 -0.214 0.000 0.816 313 L CB -0.293 41.656 42.059 -0.184 0.000 0.932 313 L HN 0.381 nan 8.230 nan 0.000 0.449 314 M N -0.824 118.589 119.600 -0.311 0.000 2.460 314 M HA -0.074 4.406 4.480 -0.000 0.000 0.263 314 M C 1.821 178.011 176.300 -0.184 0.000 1.071 314 M CA 1.325 56.444 55.300 -0.302 0.000 1.096 314 M CB -0.536 31.778 32.600 -0.476 0.000 1.408 314 M HN 0.337 nan 8.290 nan 0.000 0.463 315 G N 0.439 109.167 108.800 -0.120 0.000 3.088 315 G HA2 0.057 4.017 3.960 -0.000 0.000 0.217 315 G HA3 0.057 4.017 3.960 -0.000 0.000 0.217 315 G C 0.387 175.353 174.900 0.110 0.000 1.159 315 G CA -0.403 44.692 45.100 -0.008 0.000 0.760 315 G HN 0.580 nan 8.290 nan 0.000 0.550 316 Q N 0.042 119.860 119.800 0.029 0.000 2.392 316 Q HA 0.437 4.777 4.340 -0.000 0.000 0.262 316 Q C -0.755 175.293 176.000 0.080 0.000 1.003 316 Q CA 0.054 55.889 55.803 0.054 0.000 0.888 316 Q CB 0.795 29.506 28.738 -0.046 0.000 1.260 316 Q HN 0.219 nan 8.270 nan 0.000 0.435 317 Q N 0.939 120.806 119.800 0.112 0.000 2.342 317 Q HA 0.477 4.817 4.340 -0.000 0.000 0.267 317 Q C -1.239 174.761 176.000 -0.000 0.000 1.038 317 Q CA -0.647 55.183 55.803 0.045 0.000 0.832 317 Q CB 2.497 31.253 28.738 0.030 0.000 1.323 317 Q HN 0.718 nan 8.270 nan 0.000 0.448 318 S N 2.324 118.017 115.700 -0.012 0.000 2.549 318 S HA 0.787 5.257 4.470 -0.000 0.000 0.297 318 S C -0.992 173.572 174.600 -0.059 0.000 1.115 318 S CA -0.627 57.583 58.200 0.016 0.000 1.059 318 S CB 0.825 64.141 63.200 0.193 0.000 1.046 318 S HN 0.664 nan 8.310 nan 0.000 0.506 319 M N 4.989 124.526 119.600 -0.104 0.000 2.378 319 M HA 0.517 4.997 4.480 -0.000 0.000 0.289 319 M C -2.835 173.465 176.300 0.001 0.000 1.136 319 M CA -2.009 53.217 55.300 -0.124 0.000 0.917 319 M CB 2.360 34.789 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 -1.231 176.174 177.300 0.174 0.000 1.209 320 P CA 0.003 63.222 63.100 0.198 0.000 0.776 320 P CB 0.264 32.080 31.700 0.194 0.000 0.876 321 N N 1.724 120.512 118.700 0.146 0.000 2.503 321 N HA 0.156 4.896 4.740 -0.000 0.000 0.267 321 N C 0.403 175.884 175.510 -0.049 0.000 1.214 321 N CA -0.266 52.840 53.050 0.092 0.000 0.959 321 N CB 0.219 38.750 38.487 0.075 0.000 1.142 321 N HN 0.255 nan 8.380 nan 0.000 0.455 322 R N 1.579 122.007 120.500 -0.121 0.000 2.570 322 R HA 0.131 4.471 4.340 -0.000 0.000 0.277 322 R C -1.996 174.196 176.300 -0.180 0.000 1.039 322 R CA -0.998 54.984 56.100 -0.198 0.000 1.065 322 R CB -0.193 29.924 30.300 -0.305 0.000 0.964 322 R HN 0.399 nan 8.270 nan 0.000 0.428 323 P HA 0.003 nan 4.420 nan 0.000 0.268 323 P C -0.852 176.281 177.300 -0.279 0.000 1.205 323 P CA -0.006 62.867 63.100 -0.379 0.000 0.771 323 P CB 0.534 32.014 31.700 -0.367 0.000 0.858 324 N N 2.036 120.470 118.700 -0.443 0.000 2.621 324 N HA 0.213 4.953 4.740 -0.000 0.000 0.271 324 N C -1.700 173.642 175.510 -0.279 0.000 1.181 324 N CA -0.457 52.447 53.050 -0.243 0.000 0.805 324 N CB 0.152 38.568 38.487 -0.118 0.000 1.351 324 N HN 0.133 nan 8.380 nan 0.000 0.539 325 Y N 2.615 122.950 120.300 0.058 0.000 2.319 325 Y HA 0.465 5.015 4.550 -0.000 0.000 0.328 325 Y C 0.605 176.617 175.900 0.186 0.000 1.133 325 Y CA -0.073 58.130 58.100 0.172 0.000 1.265 325 Y CB 0.899 39.449 38.460 0.150 0.000 1.218 325 Y HN 0.288 nan 8.280 nan 0.000 0.508 326 I N 2.821 123.638 120.570 0.412 0.000 2.569 326 I HA 0.771 4.941 4.170 -0.000 0.000 0.290 326 I C -0.488 175.585 176.117 -0.072 0.000 1.088 326 I CA -0.693 60.661 61.300 0.090 0.000 1.047 326 I CB 1.770 39.757 38.000 -0.023 0.000 1.237 326 I HN 0.724 nan 8.210 nan 0.000 0.421 327 A N 4.643 127.396 122.820 -0.112 0.000 2.511 327 A HA 0.734 5.054 4.320 -0.000 0.000 0.293 327 A C -1.506 175.978 177.584 -0.167 0.000 1.098 327 A CA -0.591 51.342 52.037 -0.173 0.000 0.643 327 A CB 0.660 19.639 19.000 -0.036 0.000 1.302 327 A HN 0.402 nan 8.150 nan 0.000 0.446 328 F N 1.226 121.153 119.950 -0.039 0.000 2.444 328 F HA 0.468 4.995 4.527 -0.000 0.000 0.331 328 F C 1.554 177.333 175.800 -0.036 0.000 1.167 328 F CA 0.585 58.592 58.000 0.012 0.000 1.262 328 F CB 0.621 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 0.152 120.778 120.500 0.210 0.000 2.583 329 R HA 0.149 4.489 4.340 -0.000 0.000 0.268 329 R C -0.810 175.459 176.300 -0.052 0.000 1.101 329 R CA -0.919 55.226 56.100 0.075 0.000 1.180 329 R CB 0.197 30.562 30.300 0.108 0.000 1.128 329 R HN 0.497 nan 8.270 nan 0.000 0.568 330 D N 1.283 121.658 120.400 -0.043 0.000 2.472 330 D HA -0.078 4.562 4.640 -0.000 0.000 0.248 330 D C -0.198 176.071 176.300 -0.051 0.000 1.174 330 D CA 0.683 54.639 54.000 -0.073 0.000 0.883 330 D CB 0.170 40.953 40.800 -0.029 0.000 1.149 330 D HN 0.484 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 -0.055 175.503 175.510 0.079 0.000 1.112 331 N CA 0.880 53.934 53.050 0.006 0.000 0.750 331 N CB -1.458 37.131 38.487 0.169 0.000 1.119 331 N HN 0.558 nan 8.380 nan 0.000 0.561 332 F N -1.831 118.181 119.950 0.102 0.000 3.093 332 F HA -0.252 4.275 4.527 -0.000 0.000 0.287 332 F C 0.986 176.852 175.800 0.109 0.000 0.882 332 F CA 0.200 58.252 58.000 0.087 0.000 1.063 332 F CB -2.084 36.941 39.000 0.042 0.000 1.097 332 F HN 0.203 nan 8.300 nan 0.000 0.604 333 I N 0.391 121.093 120.570 0.221 0.000 2.880 333 I HA 0.138 4.308 4.170 -0.000 0.000 0.296 333 I C 1.645 177.885 176.117 0.205 0.000 1.220 333 I CA 1.603 63.020 61.300 0.195 0.000 1.435 333 I CB 0.049 38.133 38.000 0.139 0.000 1.339 333 I HN 0.559 nan 8.210 nan 0.000 0.583 334 G N 4.315 113.219 108.800 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 0.902 175.851 174.900 0.082 0.000 1.033 334 G CA 0.405 45.573 45.100 0.113 0.000 0.620 334 G HN 0.572 nan 8.290 nan 0.000 0.517 335 L N 0.186 121.510 121.223 0.169 0.000 1.989 335 L HA 0.124 4.464 4.340 -0.000 0.000 0.211 335 L C 1.912 178.825 176.870 0.071 0.000 1.071 335 L CA 1.659 56.611 54.840 0.186 0.000 0.749 335 L CB -0.218 41.965 42.059 0.207 0.000 0.890 335 L HN 0.441 nan 8.230 nan 0.000 0.431 336 M N -2.063 117.501 119.600 -0.059 0.000 2.367 336 M HA 0.209 4.689 4.480 -0.000 0.000 0.339 336 M C -1.064 175.036 176.300 -0.334 0.000 1.177 336 M CA -0.372 54.744 55.300 -0.306 0.000 1.068 336 M CB 1.354 33.642 32.600 -0.520 0.000 1.602 336 M HN -0.176 nan 8.290 nan 0.000 0.457 337 Y N 1.310 121.444 120.300 -0.277 0.000 2.319 337 Y HA 0.330 4.880 4.550 -0.000 0.000 0.328 337 Y C -0.890 174.849 175.900 -0.268 0.000 1.133 337 Y CA 0.472 58.459 58.100 -0.188 0.000 1.265 337 Y CB 0.585 38.934 38.460 -0.184 0.000 1.218 337 Y HN 0.394 nan 8.280 nan 0.000 0.508 338 Y N -0.177 120.285 120.300 0.270 0.000 2.571 338 Y HA 0.212 4.762 4.550 -0.000 0.000 0.341 338 Y C -0.068 175.935 175.900 0.171 0.000 1.076 338 Y CA -2.554 55.682 58.100 0.226 0.000 1.029 338 Y CB 1.437 40.058 38.460 0.268 0.000 1.308 338 Y HN 0.684 nan 8.280 nan 0.000 0.461 339 N N -0.387 118.507 118.700 0.323 0.000 2.716 339 N HA -0.171 4.569 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 0.978 54.163 53.050 0.224 0.000 0.727 339 N CB -1.231 37.414 38.487 0.263 0.000 0.950 339 N HN 0.813 nan 8.380 nan 0.000 0.541 340 S N -0.960 114.794 115.700 0.090 0.000 2.756 340 S HA 0.538 5.008 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 -0.619 57.608 58.200 0.045 0.000 1.066 340 S CB 0.976 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 2.528 117.053 114.554 -0.047 0.000 2.803 341 T HA -0.064 4.286 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 2.041 64.092 62.100 -0.081 0.000 1.136 341 T CB -0.257 68.580 68.868 -0.052 0.000 0.864 341 T HN 0.824 nan 8.240 nan 0.000 0.467 342 G N 1.388 110.119 108.800 -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 0.931 175.689 174.900 -0.237 0.000 1.135 342 G CA 0.133 45.149 45.100 -0.140 0.000 0.784 342 G HN 0.475 nan 8.290 nan 0.000 0.543 343 N N 0.262 118.762 118.700 -0.332 0.000 2.644 343 N HA 0.199 4.939 4.740 -0.000 0.000 0.313 343 N C -0.618 174.598 175.510 -0.490 0.000 1.863 343 N CA -0.203 52.539 53.050 -0.513 0.000 0.918 343 N CB 0.981 38.838 38.487 -1.050 0.000 1.320 343 N HN 0.216 nan 8.380 nan 0.000 0.490 344 M N 1.175 120.525 119.600 -0.416 0.000 2.219 344 M HA 0.221 4.701 4.480 -0.000 0.000 0.353 344 M C 0.897 176.770 176.300 -0.713 0.000 1.304 344 M CA -0.116 54.890 55.300 -0.490 0.000 1.115 344 M CB 0.638 33.034 32.600 -0.340 0.000 1.664 344 M HN 0.227 nan 8.290 nan 0.000 0.459 345 G N 3.316 111.397 108.800 -1.198 0.000 2.699 345 G HA2 0.444 4.404 3.960 -0.000 0.000 0.246 345 G HA3 0.444 4.404 3.960 -0.000 0.000 0.246 345 G C -1.167 173.286 174.900 -0.745 0.000 1.219 345 G CA -0.626 43.396 45.100 -1.797 0.000 0.866 345 G HN 0.655 nan 8.290 nan 0.000 0.572 346 V N 0.537 120.266 119.914 -0.310 0.000 2.733 346 V HA 0.475 4.595 4.120 -0.000 0.000 0.306 346 V C -0.947 175.346 176.094 0.331 0.000 1.084 346 V CA -0.574 61.736 62.300 0.017 0.000 0.905 346 V CB 1.767 33.583 31.823 -0.012 0.000 1.010 346 V HN 0.686 nan 8.190 nan 0.000 0.424 347 L N 4.724 126.120 121.223 0.290 0.000 2.518 347 L HA 0.938 5.278 4.340 -0.000 0.000 0.262 347 L C -0.354 176.648 176.870 0.220 0.000 0.982 347 L CA 0.057 55.085 54.840 0.313 0.000 0.873 347 L CB 1.177 43.392 42.059 0.260 0.000 1.198 347 L HN 0.866 nan 8.230 nan 0.000 0.427 348 A N 2.813 125.777 122.820 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 -0.208 51.961 52.037 0.220 0.000 0.698 348 A CB 1.311 20.398 19.000 0.145 0.000 1.289 348 A HN 0.817 nan 8.150 nan 0.000 0.404 349 G N 0.066 109.009 108.800 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 0.389 175.295 174.900 0.009 0.000 1.270 349 G CA -0.174 44.970 45.100 0.073 0.000 0.876 349 G HN 0.823 nan 8.290 nan 0.000 0.521 350 Q N 1.744 121.509 119.800 -0.059 0.000 2.234 350 Q HA -0.160 4.180 4.340 -0.000 0.000 0.206 350 Q C 2.591 178.575 176.000 -0.026 0.000 0.980 350 Q CA 1.475 57.262 55.803 -0.027 0.000 0.869 350 Q CB -0.013 28.700 28.738 -0.042 0.000 0.912 350 Q HN 0.673 nan 8.270 nan 0.000 0.436 351 A N -0.302 122.489 122.820 -0.049 0.000 2.218 351 A HA 0.134 4.454 4.320 -0.000 0.000 0.209 351 A C 2.036 179.622 177.584 0.003 0.000 1.168 351 A CA 1.167 53.187 52.037 -0.030 0.000 0.804 351 A CB -0.126 18.845 19.000 -0.048 0.000 0.834 351 A HN 0.387 nan 8.150 nan 0.000 0.482 352 S N -2.793 112.921 115.700 0.024 0.000 2.564 352 S HA 0.377 4.847 4.470 -0.000 0.000 0.231 352 S C 1.482 176.112 174.600 0.050 0.000 1.067 352 S CA 1.691 59.922 58.200 0.050 0.000 0.908 352 S CB -0.063 63.187 63.200 0.082 0.000 0.809 352 S HN 1.596 nan 8.310 nan 0.000 0.491 353 Q N -0.703 119.126 119.800 0.049 0.000 2.264 353 Q HA -0.172 4.168 4.340 -0.000 0.000 0.207 353 Q C 0.581 176.612 176.000 0.052 0.000 0.702 353 Q CA 1.419 57.248 55.803 0.045 0.000 1.411 353 Q CB -2.668 26.086 28.738 0.027 0.000 1.717 353 Q HN 0.912 nan 8.270 nan 0.000 0.683 354 L N 1.739 123.003 121.223 0.069 0.000 2.292 354 L HA 0.627 4.967 4.340 -0.000 0.000 0.284 354 L C 0.042 176.968 176.870 0.093 0.000 1.065 354 L CA -0.559 54.326 54.840 0.075 0.000 0.806 354 L CB 1.443 43.553 42.059 0.085 0.000 1.175 354 L HN 0.548 nan 8.230 nan 0.000 0.431 355 N N 3.482 122.229 118.700 0.078 0.000 2.411 355 N HA 0.196 4.936 4.740 -0.000 0.000 0.259 355 N C 0.719 176.307 175.510 0.130 0.000 1.103 355 N CA 0.477 53.579 53.050 0.087 0.000 0.954 355 N CB 1.415 39.922 38.487 0.033 0.000 1.085 355 N HN 0.695 nan 8.380 nan 0.000 0.485 356 A N 3.508 126.429 122.820 0.167 0.000 2.067 356 A HA 0.029 4.349 4.320 -0.000 0.000 0.219 356 A C 0.617 178.392 177.584 0.319 0.000 1.158 356 A CA 0.530 52.702 52.037 0.225 0.000 0.661 356 A CB -0.019 19.088 19.000 0.179 0.000 0.801 356 A HN 0.451 nan 8.150 nan 0.000 0.452 357 V N 0.850 120.893 119.914 0.215 0.000 2.461 357 V HA 0.366 4.486 4.120 -0.000 0.000 0.275 357 V C -0.541 175.541 176.094 -0.021 0.000 1.047 357 V CA -0.106 62.287 62.300 0.155 0.000 0.955 357 V CB 1.259 33.080 31.823 -0.005 0.000 0.988 357 V HN 0.097 nan 8.190 nan 0.000 0.471 358 V N 4.448 124.278 119.914 -0.140 0.000 2.498 358 V HA 0.413 4.533 4.120 -0.000 0.000 0.283 358 V C -0.572 175.355 176.094 -0.279 0.000 1.015 358 V CA -0.576 61.505 62.300 -0.365 0.000 0.867 358 V CB 1.597 32.998 31.823 -0.704 0.000 1.025 358 V HN 0.836 nan 8.190 nan 0.000 0.441 359 D N 3.163 123.457 120.400 -0.177 0.000 2.384 359 D HA 0.795 5.435 4.640 -0.000 0.000 0.250 359 D C -0.819 175.490 176.300 0.015 0.000 1.029 359 D CA -0.256 53.728 54.000 -0.027 0.000 0.990 359 D CB 2.227 42.962 40.800 -0.109 0.000 1.175 359 D HN 0.356 nan 8.370 nan 0.000 0.532 360 L N 1.226 122.514 121.223 0.109 0.000 2.388 360 L HA 0.340 4.680 4.340 -0.000 0.000 0.264 360 L C 1.317 178.257 176.870 0.115 0.000 0.998 360 L CA -0.730 54.167 54.840 0.095 0.000 0.817 360 L CB 2.162 44.291 42.059 0.117 0.000 1.338 360 L HN 0.265 nan 8.230 nan 0.000 0.414 361 Q N 0.053 119.903 119.800 0.084 0.000 2.297 361 Q HA -0.136 4.204 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 0.983 56.838 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 0.369 120.838 120.400 0.115 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 0.393 54.468 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 0.308 120.917 120.500 0.181 0.000 2.500 363 R HA 0.258 4.598 4.340 -0.000 0.000 0.277 363 R C -0.567 175.853 176.300 0.200 0.000 1.026 363 R CA -0.484 55.731 56.100 0.192 0.000 1.058 363 R CB 0.633 31.087 30.300 0.257 0.000 1.078 363 R HN -0.202 nan 8.270 nan 0.000 0.509 364 N N 1.297 120.082 118.700 0.142 0.000 2.804 364 N HA 0.114 4.854 4.740 -0.000 0.000 0.251 364 N C -0.307 175.234 175.510 0.052 0.000 1.250 364 N CA -0.151 52.948 53.050 0.081 0.000 0.820 364 N CB 1.294 39.744 38.487 -0.062 0.000 1.156 364 N HN 0.561 nan 8.380 nan 0.000 0.512 365 T N 0.865 115.470 114.554 0.086 0.000 2.674 365 T HA -0.107 4.243 4.350 -0.000 0.000 0.265 365 T C 1.371 176.031 174.700 -0.067 0.000 1.039 365 T CA 1.183 63.270 62.100 -0.021 0.000 1.150 365 T CB 0.170 68.926 68.868 -0.186 0.000 0.864 365 T HN 0.443 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 0.925 57.344 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 0.296 nan 8.360 nan 0.000 0.450 367 L N 1.116 122.320 121.223 -0.032 0.000 2.046 367 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 367 L C 2.527 179.377 176.870 -0.033 0.000 1.077 367 L CA 1.773 56.572 54.840 -0.068 0.000 0.747 367 L CB -0.754 41.243 42.059 -0.103 0.000 0.896 367 L HN -0.005 nan 8.230 nan 0.000 0.432 368 S N -1.741 113.966 115.700 0.011 0.000 2.387 368 S HA -0.309 4.161 4.470 -0.000 0.000 0.230 368 S C 2.093 176.724 174.600 0.052 0.000 1.035 368 S CA 1.668 59.905 58.200 0.061 0.000 1.014 368 S CB -0.607 62.628 63.200 0.058 0.000 0.836 368 S HN 0.636 nan 8.310 nan 0.000 0.466 369 Y N 1.672 121.919 120.300 -0.089 0.000 2.314 369 Y HA -0.014 4.536 4.550 -0.000 0.000 0.293 369 Y C 2.553 178.378 175.900 -0.125 0.000 1.129 369 Y CA 1.638 59.669 58.100 -0.115 0.000 1.201 369 Y CB -0.294 38.098 38.460 -0.113 0.000 0.999 369 Y HN 0.275 nan 8.280 nan 0.000 0.541 370 Q N 0.092 119.862 119.800 -0.049 0.000 2.050 370 Q HA -0.161 4.179 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 1.718 57.447 55.803 -0.123 0.000 0.840 370 Q CB -0.524 28.110 28.738 -0.174 0.000 0.898 370 Q HN 0.529 nan 8.270 nan 0.000 0.424 371 L N 0.198 121.283 121.223 -0.229 0.000 2.156 371 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 371 L C 2.416 179.009 176.870 -0.462 0.000 1.095 371 L CA 0.355 55.075 54.840 -0.200 0.000 0.770 371 L CB -0.456 41.605 42.059 0.003 0.000 0.914 371 L HN 0.176 nan 8.230 nan 0.000 0.439 372 L N -0.098 120.719 121.223 -0.677 0.000 2.046 372 L HA -0.198 4.143 4.340 -0.000 0.000 0.208 372 L C 2.346 178.861 176.870 -0.592 0.000 1.077 372 L CA 1.635 55.890 54.840 -0.976 0.000 0.747 372 L CB -0.311 41.351 42.059 -0.662 0.000 0.896 372 L HN 0.098 nan 8.230 nan 0.000 0.432 373 L N -0.428 120.511 121.223 -0.474 0.000 2.017 373 L HA -0.252 4.088 4.340 -0.000 0.000 0.208 373 L C 2.341 179.112 176.870 -0.164 0.000 1.073 373 L CA 1.947 56.595 54.840 -0.320 0.000 0.745 373 L CB -0.815 41.075 42.059 -0.282 0.000 0.894 373 L HN 0.413 nan 8.230 nan 0.000 0.432 374 D N -0.278 120.075 120.400 -0.079 0.000 2.149 374 D HA -0.211 4.429 4.640 -0.000 0.000 0.198 374 D C 2.248 178.535 176.300 -0.023 0.000 0.990 374 D CA 1.519 55.527 54.000 0.014 0.000 0.839 374 D CB 0.136 41.070 40.800 0.223 0.000 0.948 374 D HN 0.289 nan 8.370 nan 0.000 0.460 375 S N -0.133 115.509 115.700 -0.097 0.000 2.428 375 S HA -0.120 4.350 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 0.872 59.040 58.200 -0.053 0.000 0.957 375 S CB -0.709 62.444 63.200 -0.078 0.000 0.784 375 S HN 0.577 nan 8.310 nan 0.000 0.499 376 I N -2.066 118.446 120.570 -0.097 0.000 3.956 376 I HA 0.588 4.758 4.170 -0.000 0.000 0.333 376 I C 0.694 176.785 176.117 -0.043 0.000 1.302 376 I CA -0.108 61.154 61.300 -0.063 0.000 1.122 376 I CB -0.040 37.910 38.000 -0.083 0.000 1.013 376 I HN 0.388 nan 8.210 nan 0.000 0.405 377 G N 0.844 109.621 108.800 -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 -2.011 172.875 174.900 -0.023 0.000 1.286 377 G CA -0.393 44.691 45.100 -0.027 0.000 0.825 377 G HN 0.051 nan 8.290 nan 0.000 0.479 378 D N 0.051 120.436 120.400 -0.025 0.000 2.456 378 D HA 0.331 4.971 4.640 -0.000 0.000 0.219 378 D C 1.450 177.734 176.300 -0.027 0.000 1.126 378 D CA -0.689 53.292 54.000 -0.032 0.000 0.890 378 D CB 0.990 41.765 40.800 -0.042 0.000 1.025 378 D HN 0.188 nan 8.370 nan 0.000 0.511 379 R N 1.148 121.628 120.500 -0.032 0.000 2.355 379 R HA -0.087 4.253 4.340 -0.000 0.000 0.219 379 R C 1.845 178.148 176.300 0.004 0.000 1.107 379 R CA 1.026 57.118 56.100 -0.013 0.000 1.021 379 R CB -1.105 29.162 30.300 -0.055 0.000 0.852 379 R HN 0.565 nan 8.270 nan 0.000 0.475 380 T N -2.288 112.242 114.554 -0.041 0.000 3.023 380 T HA 0.066 4.416 4.350 -0.000 0.000 0.266 380 T C 0.905 175.516 174.700 -0.148 0.000 1.093 380 T CA 0.144 62.199 62.100 -0.075 0.000 1.129 380 T CB 0.176 68.976 68.868 -0.114 0.000 0.899 380 T HN -0.030 nan 8.240 nan 0.000 0.491 381 R N 1.127 121.576 120.500 -0.086 0.000 2.490 381 R HA 0.353 4.693 4.340 -0.000 0.000 0.278 381 R C -0.873 175.489 176.300 0.103 0.000 1.069 381 R CA -0.435 55.595 56.100 -0.117 0.000 1.080 381 R CB 0.386 30.640 30.300 -0.077 0.000 1.030 381 R HN 0.300 nan 8.270 nan 0.000 0.491 382 Y N 1.524 121.752 120.300 -0.120 0.000 2.387 382 Y HA 0.372 4.922 4.550 -0.000 0.000 0.330 382 Y C 0.009 175.965 175.900 0.094 0.000 1.133 382 Y CA -1.308 56.715 58.100 -0.127 0.000 1.152 382 Y CB 0.819 38.958 38.460 -0.536 0.000 1.215 382 Y HN 0.357 nan 8.280 nan 0.000 0.466 383 F N 2.255 122.288 119.950 0.139 0.000 2.902 383 F HA 0.231 4.758 4.527 -0.000 0.000 0.368 383 F C 1.044 176.892 175.800 0.080 0.000 1.202 383 F CA -1.609 56.444 58.000 0.089 0.000 1.109 383 F CB 0.989 40.041 39.000 0.086 0.000 1.418 383 F HN 0.480 nan 8.300 nan 0.000 0.527 384 S N 5.007 120.816 115.700 0.183 0.000 2.380 384 S HA -0.300 4.170 4.470 -0.000 0.000 0.229 384 S C 2.141 176.506 174.600 -0.392 0.000 1.043 384 S CA 1.666 59.851 58.200 -0.026 0.000 1.038 384 S CB -0.564 62.677 63.200 0.067 0.000 0.872 384 S HN 0.791 nan 8.310 nan 0.000 0.456 385 M N -0.024 119.020 119.600 -0.926 0.000 2.113 385 M HA -0.164 4.316 4.480 -0.000 0.000 0.255 385 M C 1.251 177.061 176.300 -0.816 0.000 1.073 385 M CA 2.236 56.843 55.300 -1.156 0.000 1.091 385 M CB -0.309 31.202 32.600 -1.814 0.000 1.309 385 M HN 0.611 nan 8.290 nan 0.000 0.407 386 W N -0.682 120.303 121.300 -0.525 0.000 3.330 386 W HA 0.245 4.905 4.660 -0.000 0.000 0.348 386 W C 0.474 176.777 176.519 -0.361 0.000 1.205 386 W CA -0.613 56.626 57.345 -0.177 0.000 1.841 386 W CB -0.177 29.222 29.460 -0.102 0.000 1.084 386 W HN 0.375 nan 8.180 nan 0.000 0.665 387 N N 1.257 119.799 118.700 -0.264 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 -0.209 0.000 1.107 387 N CA 0.695 53.493 53.050 -0.421 0.000 0.707 387 N CB -1.126 36.630 38.487 -1.218 0.000 1.054 387 N HN 0.339 nan 8.380 nan 0.000 0.555 388 Q N 0.227 120.011 119.800 -0.028 0.000 2.641 388 Q HA 0.459 4.799 4.340 -0.000 0.000 0.225 388 Q C -0.752 175.254 176.000 0.010 0.000 1.309 388 Q CA 0.370 56.221 55.803 0.079 0.000 0.935 388 Q CB -0.007 28.895 28.738 0.274 0.000 1.557 388 Q HN 0.411 nan 8.270 nan 0.000 0.563 389 A N 3.700 126.435 122.820 -0.141 0.000 2.768 389 A HA 0.248 4.568 4.320 -0.000 0.000 0.299 389 A C -0.728 176.700 177.584 -0.260 0.000 1.171 389 A CA -0.568 51.185 52.037 -0.474 0.000 0.759 389 A CB 1.002 19.518 19.000 -0.806 0.000 1.267 389 A HN 0.484 nan 8.150 nan 0.000 0.421 390 V N 2.566 122.436 119.914 -0.073 0.000 2.814 390 V HA -0.002 4.118 4.120 -0.000 0.000 0.307 390 V C 0.051 176.141 176.094 -0.007 0.000 1.089 390 V CA 0.487 62.782 62.300 -0.009 0.000 1.212 390 V CB 0.371 32.210 31.823 0.028 0.000 0.912 390 V HN 0.790 nan 8.190 nan 0.000 0.497 391 D N 4.840 125.235 120.400 -0.008 0.000 2.383 391 D HA 0.371 5.011 4.640 -0.000 0.000 0.252 391 D C 0.063 176.467 176.300 0.173 0.000 1.166 391 D CA 0.429 54.462 54.000 0.055 0.000 0.879 391 D CB 1.319 42.095 40.800 -0.039 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 -1.114 173.556 174.600 0.116 0.000 1.179 392 S CA -0.916 57.396 58.200 0.188 0.000 0.838 392 S CB 1.758 64.954 63.200 -0.006 0.000 1.206 392 S HN 0.509 nan 8.310 nan 0.000 0.523 393 Y N -1.248 119.017 120.300 -0.058 0.000 2.625 393 Y HA 0.718 5.268 4.550 -0.000 0.000 0.338 393 Y C -1.315 174.468 175.900 -0.195 0.000 1.123 393 Y CA -1.308 56.647 58.100 -0.242 0.000 1.046 393 Y CB 0.288 38.444 38.460 -0.506 0.000 1.299 393 Y HN 0.644 nan 8.280 nan 0.000 0.464 394 D N 3.190 123.626 120.400 0.060 0.000 2.371 394 D HA 0.219 4.859 4.640 -0.000 0.000 0.256 394 D C -1.768 174.625 176.300 0.156 0.000 1.193 394 D CA -2.030 51.999 54.000 0.048 0.000 0.881 394 D CB 1.617 42.416 40.800 -0.002 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 0.563 177.918 177.300 0.092 0.000 1.148 395 P CA 0.884 64.066 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 -1.329 119.134 120.400 0.105 0.000 2.348 396 D HA -0.034 4.606 4.640 -0.000 0.000 0.216 396 D C 1.777 178.198 176.300 0.202 0.000 0.970 396 D CA 0.600 54.697 54.000 0.161 0.000 0.889 396 D CB 0.010 40.916 40.800 0.175 0.000 0.912 396 D HN 0.083 nan 8.370 nan 0.000 0.524 397 V N 0.276 120.226 119.914 0.059 0.000 2.672 397 V HA -0.044 4.076 4.120 -0.000 0.000 0.242 397 V C 2.377 178.334 176.094 -0.229 0.000 1.059 397 V CA 0.590 62.817 62.300 -0.122 0.000 1.081 397 V CB -0.031 31.571 31.823 -0.369 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 0.559 176.718 176.300 -0.234 0.000 1.126 398 R CA 1.493 57.344 56.100 -0.414 0.000 0.963 398 R CB -0.096 29.801 30.300 -0.671 0.000 0.858 398 R HN 0.450 nan 8.270 nan 0.000 0.435 399 I N 1.432 121.935 120.570 -0.111 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 -0.701 60.560 61.300 -0.064 0.000 1.119 399 I CB 1.963 39.927 38.000 -0.059 0.000 1.261 399 I HN 0.003 nan 8.210 nan 0.000 0.448 400 I N 5.944 126.555 120.570 0.068 0.000 2.471 400 I HA 0.080 4.250 4.170 -0.000 0.000 0.286 400 I C 0.616 176.845 176.117 0.186 0.000 1.079 400 I CA 0.283 61.687 61.300 0.172 0.000 1.398 400 I CB 0.486 38.604 38.000 0.197 0.000 1.403 400 I HN 0.627 nan 8.210 nan 0.000 0.530 401 E N 6.679 126.994 120.200 0.191 0.000 2.256 401 E HA 0.133 4.483 4.350 -0.000 0.000 0.243 401 E C -0.673 175.935 176.600 0.013 0.000 0.925 401 E CA -0.602 55.871 56.400 0.121 0.000 0.748 401 E CB 0.557 30.325 29.700 0.113 0.000 1.206 401 E HN 0.432 nan 8.360 nan 0.000 0.428 402 N N 3.410 122.157 118.700 0.078 0.000 2.663 402 N HA -0.014 4.726 4.740 -0.000 0.000 0.250 402 N C 0.125 175.564 175.510 -0.118 0.000 1.129 402 N CA -0.041 53.011 53.050 0.003 0.000 0.995 402 N CB 0.198 38.818 38.487 0.222 0.000 1.324 402 N HN 0.561 nan 8.380 nan 0.000 0.512 403 H N 1.429 120.381 119.070 -0.197 0.000 2.529 403 H HA 0.288 4.844 4.556 -0.000 0.000 0.277 403 H C 1.071 176.264 175.328 -0.225 0.000 1.004 403 H CA 0.072 56.014 56.048 -0.177 0.000 1.167 403 H CB 0.127 29.791 29.762 -0.163 0.000 1.445 403 H HN 0.502 nan 8.280 nan 0.000 0.554 404 G N 1.753 110.338 108.800 -0.359 0.000 2.512 404 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.240 404 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.240 404 G C -0.188 174.465 174.900 -0.412 0.000 1.246 404 G CA 0.179 45.102 45.100 -0.295 0.000 0.919 404 G HN 0.865 nan 8.290 nan 0.000 0.577 405 T N -2.581 111.861 114.554 -0.188 0.000 2.909 405 T HA 0.690 5.040 4.350 -0.000 0.000 0.299 405 T C -0.545 174.112 174.700 -0.071 0.000 1.073 405 T CA -0.144 61.873 62.100 -0.139 0.000 0.999 405 T CB 2.336 71.161 68.868 -0.071 0.000 1.098 405 T HN 0.671 nan 8.240 nan 0.000 0.477 406 E N 2.282 122.445 120.200 -0.062 0.000 1.964 406 E HA 0.167 4.517 4.350 -0.000 0.000 0.264 406 E C -0.277 176.297 176.600 -0.043 0.000 1.120 406 E CA -0.414 55.958 56.400 -0.048 0.000 1.061 406 E CB 0.074 29.745 29.700 -0.047 0.000 1.190 406 E HN 0.676 nan 8.360 nan 0.000 0.459 407 D N 1.220 121.595 120.400 -0.042 0.000 2.755 407 D HA 0.022 4.662 4.640 -0.000 0.000 0.257 407 D C 0.534 176.803 176.300 -0.051 0.000 1.291 407 D CA -0.251 53.720 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 0.305 120.479 120.200 -0.044 0.000 2.051 408 E HA 0.022 4.372 4.350 -0.000 0.000 0.192 408 E C 0.685 177.258 176.600 -0.045 0.000 0.991 408 E CA 0.786 57.163 56.400 -0.038 0.000 0.799 408 E CB 0.103 29.785 29.700 -0.030 0.000 0.748 408 E HN 0.408 nan 8.360 nan 0.000 0.449 409 L N 2.404 123.595 121.223 -0.052 0.000 2.371 409 L HA 0.247 4.587 4.340 -0.000 0.000 0.272 409 L C -2.006 174.788 176.870 -0.127 0.000 1.124 409 L CA -1.968 52.834 54.840 -0.064 0.000 0.816 409 L CB 0.330 42.359 42.059 -0.050 0.000 1.129 409 L HN 0.029 nan 8.230 nan 0.000 0.448 410 P HA 0.235 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 -0.597 62.269 63.100 -0.389 0.000 0.810 410 P CB 0.637 32.062 31.700 -0.458 0.000 1.008 411 N N 1.055 119.375 118.700 -0.633 0.000 2.372 411 N HA 0.425 5.165 4.740 -0.000 0.000 0.285 411 N C -1.031 174.103 175.510 -0.627 0.000 1.008 411 N CA -0.477 52.270 53.050 -0.506 0.000 0.880 411 N CB 0.878 39.221 38.487 -0.240 0.000 1.239 411 N HN 0.356 nan 8.380 nan 0.000 0.484 412 Y N 0.001 120.196 120.300 -0.175 0.000 2.598 412 Y HA 0.635 5.185 4.550 -0.000 0.000 0.340 412 Y C 0.217 175.795 175.900 -0.536 0.000 1.038 412 Y CA -1.428 56.414 58.100 -0.431 0.000 1.100 412 Y CB 1.146 39.184 38.460 -0.704 0.000 1.281 412 Y HN 0.520 nan 8.280 nan 0.000 0.488 413 C N 0.403 119.397 119.300 -0.509 0.000 2.455 413 C HA 0.916 5.376 4.460 -0.000 0.000 0.320 413 C C -1.026 173.574 174.990 -0.651 0.000 1.226 413 C CA -1.047 57.735 59.018 -0.394 0.000 1.569 413 C CB -0.799 26.844 27.740 -0.163 0.000 2.200 413 C HN 0.613 nan 8.230 nan 0.000 0.491 414 F N 1.044 120.984 119.950 -0.017 0.000 2.639 414 F HA 0.802 5.329 4.527 -0.000 0.000 0.339 414 F C -1.976 173.819 175.800 -0.008 0.000 1.071 414 F CA -2.322 55.656 58.000 -0.037 0.000 0.994 414 F CB 0.332 39.304 39.000 -0.047 0.000 1.341 414 F HN 0.392 nan 8.300 nan 0.000 0.498 415 P HA 0.272 nan 4.420 nan 0.000 0.275 415 P C 0.828 178.122 177.300 -0.010 0.000 1.228 415 P CA -0.284 62.895 63.100 0.132 0.000 0.786 415 P CB 0.749 32.544 31.700 0.158 0.000 0.927 416 L N 1.157 122.349 121.223 -0.051 0.000 2.089 416 L HA -0.181 4.159 4.340 -0.000 0.000 0.213 416 L C 2.144 178.633 176.870 -0.636 0.000 1.079 416 L CA 2.226 56.949 54.840 -0.196 0.000 0.758 416 L CB -1.247 40.788 42.059 -0.040 0.000 0.891 416 L HN 0.586 nan 8.230 nan 0.000 0.433 417 G N -1.810 106.435 108.800 -0.925 0.000 2.985 417 G HA2 0.274 4.234 3.960 -0.000 0.000 0.209 417 G HA3 0.274 4.234 3.960 -0.000 0.000 0.209 417 G C 1.288 175.795 174.900 -0.655 0.000 1.165 417 G CA 0.494 44.582 45.100 -1.687 0.000 0.776 417 G HN 0.553 nan 8.290 nan 0.000 0.541 418 G N -1.684 106.909 108.800 -0.346 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 0.095 174.952 174.900 -0.072 0.000 0.978 418 G CA 0.510 45.503 45.100 -0.179 0.000 0.632 418 G HN 1.195 nan 8.290 nan 0.000 0.537 419 V N -0.345 119.541 119.914 -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 1.968 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 2.723 123.366 120.570 0.121 0.000 4.922 420 I HA 0.330 4.500 4.170 -0.000 0.000 0.331 420 I C 0.535 176.695 176.117 0.072 0.000 1.260 420 I CA 0.188 61.562 61.300 0.122 0.000 1.366 420 I CB 0.797 38.866 38.000 0.115 0.000 1.386 420 I HN 0.618 nan 8.210 nan 0.000 0.483 421 N N 2.827 121.557 118.700 0.049 0.000 3.052 421 N HA 0.114 4.854 4.740 -0.000 0.000 0.302 421 N C -0.113 175.415 175.510 0.030 0.000 1.332 421 N CA 0.178 53.238 53.050 0.017 0.000 1.129 421 N CB -0.113 38.370 38.487 -0.008 0.000 1.436 421 N HN 0.369 nan 8.380 nan 0.000 0.536 422 T N -1.558 113.023 114.554 0.045 0.000 2.860 422 T HA 0.206 4.556 4.350 -0.000 0.000 0.299 422 T C 0.320 175.033 174.700 0.021 0.000 1.045 422 T CA -0.639 61.485 62.100 0.039 0.000 1.071 422 T CB 1.398 70.299 68.868 0.055 0.000 0.985 422 T HN 0.379 nan 8.240 nan 0.000 0.537 423 E N 0.665 120.873 120.200 0.013 0.000 2.210 423 E HA 0.355 4.705 4.350 -0.000 0.000 0.266 423 E C -1.097 175.503 176.600 0.001 0.000 0.883 423 E CA -0.996 55.406 56.400 0.004 0.000 0.761 423 E CB 1.323 31.022 29.700 -0.003 0.000 1.156 423 E HN 0.597 nan 8.360 nan 0.000 0.412 424 T N 4.287 118.841 114.554 -0.000 0.000 2.902 424 T HA 0.233 4.583 4.350 -0.000 0.000 0.301 424 T C 0.196 174.892 174.700 -0.006 0.000 1.012 424 T CA 0.073 62.173 62.100 -0.001 0.000 1.151 424 T CB 0.061 68.928 68.868 -0.001 0.000 0.946 424 T HN 0.367 nan 8.240 nan 0.000 0.542 425 L N 1.844 123.063 121.223 -0.005 0.000 2.303 425 L HA 0.639 4.979 4.340 -0.000 0.000 0.256 425 L C 0.132 176.997 176.870 -0.008 0.000 1.034 425 L CA -1.056 53.775 54.840 -0.015 0.000 0.832 425 L CB 2.569 44.611 42.059 -0.028 0.000 1.403 425 L HN 0.519 nan 8.230 nan 0.000 0.419 426 T N 0.696 115.238 114.554 -0.019 0.000 2.848 426 T HA 0.238 4.588 4.350 -0.000 0.000 0.285 426 T C -0.575 174.109 174.700 -0.027 0.000 0.995 426 T CA -0.575 61.521 62.100 -0.007 0.000 0.970 426 T CB 1.837 70.706 68.868 0.002 0.000 0.976 426 T HN 0.369 nan 8.240 nan 0.000 0.441 427 K N 2.670 123.058 120.400 -0.020 0.000 2.382 427 K HA 0.479 4.799 4.320 -0.000 0.000 0.275 427 K C -0.871 175.717 176.600 -0.019 0.000 1.009 427 K CA -0.213 56.034 56.287 -0.068 0.000 0.970 427 K CB 0.479 32.891 32.500 -0.148 0.000 0.934 427 K HN 0.309 nan 8.250 nan 0.000 0.479 428 V N 1.776 121.682 119.914 -0.013 0.000 3.040 428 V HA 0.608 4.728 4.120 -0.000 0.000 0.312 428 V C -0.607 175.592 176.094 0.175 0.000 1.115 428 V CA -0.749 61.601 62.300 0.083 0.000 0.998 428 V CB 1.911 33.775 31.823 0.069 0.000 1.042 428 V HN 0.903 nan 8.190 nan 0.000 0.433 429 K N 3.607 124.144 120.400 0.229 0.000 2.316 429 K HA 0.896 5.216 4.320 -0.000 0.000 0.251 429 K C -3.047 173.657 176.600 0.174 0.000 0.934 429 K CA -1.872 54.527 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 0.506 nan 8.250 nan 0.000 0.426 438 W N 0.137 121.433 121.300 -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 -0.371 56.969 57.345 -0.009 0.000 1.209 438 W CB 2.031 31.483 29.460 -0.012 0.000 1.420 438 W HN 0.795 nan 8.180 nan 0.000 0.516 439 E N 0.345 120.673 120.200 0.214 0.000 2.256 439 E HA 0.647 4.997 4.350 -0.000 0.000 0.268 439 E C -0.319 176.356 176.600 0.124 0.000 0.877 439 E CA -0.870 55.605 56.400 0.125 0.000 0.757 439 E CB 0.872 30.608 29.700 0.060 0.000 1.183 439 E HN 0.649 nan 8.360 nan 0.000 0.418 440 K N 1.385 121.840 120.400 0.091 0.000 2.469 440 K HA 0.321 4.641 4.320 -0.000 0.000 0.274 440 K C -0.188 176.453 176.600 0.068 0.000 0.983 440 K CA 0.376 56.706 56.287 0.071 0.000 0.974 440 K CB 0.388 32.919 32.500 0.051 0.000 0.913 440 K HN 0.696 nan 8.250 nan 0.000 0.493 441 D N -0.436 120.004 120.400 0.066 0.000 2.252 441 D HA 0.787 5.427 4.640 -0.000 0.000 0.245 441 D C -0.657 175.696 176.300 0.088 0.000 1.009 441 D CA 0.577 54.623 54.000 0.077 0.000 0.870 441 D CB 1.755 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 0.003 115.811 115.700 0.179 0.000 2.672 446 S HA 0.452 4.922 4.470 -0.000 0.000 0.276 446 S C 0.625 175.281 174.600 0.093 0.000 1.207 446 S CA -0.394 57.861 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 0.386 120.818 120.400 0.053 0.000 2.269 447 D HA 0.171 4.811 4.640 -0.000 0.000 0.208 447 D C 0.600 176.918 176.300 0.030 0.000 0.963 447 D CA 1.364 55.388 54.000 0.039 0.000 0.864 447 D CB -0.198 40.617 40.800 0.025 0.000 0.936 447 D HN 0.666 nan 8.370 nan 0.000 0.505 448 K N 1.245 121.663 120.400 0.029 0.000 2.640 448 K HA 0.372 4.692 4.320 -0.000 0.000 0.245 448 K C -0.751 175.863 176.600 0.023 0.000 0.962 448 K CA -0.819 55.479 56.287 0.018 0.000 0.896 448 K CB 0.431 32.934 32.500 0.005 0.000 1.147 448 K HN -0.041 nan 8.250 nan 0.000 0.445 449 N N 1.963 120.681 118.700 0.030 0.000 2.342 449 N HA 0.294 5.034 4.740 -0.000 0.000 0.293 449 N C -1.111 174.412 175.510 0.021 0.000 1.026 449 N CA -0.618 52.454 53.050 0.036 0.000 0.857 449 N CB 2.176 40.700 38.487 0.062 0.000 1.256 449 N HN 0.661 nan 8.380 nan 0.000 0.484 450 E N 1.730 121.943 120.200 0.021 0.000 2.167 450 E HA 0.466 4.816 4.350 -0.000 0.000 0.284 450 E C -0.373 176.246 176.600 0.031 0.000 1.016 450 E CA -0.063 56.351 56.400 0.024 0.000 0.817 450 E CB 1.338 31.055 29.700 0.028 0.000 1.080 450 E HN 0.419 nan 8.360 nan 0.000 0.397 451 I N 2.580 123.164 120.570 0.022 0.000 2.533 451 I HA 0.314 4.484 4.170 -0.000 0.000 0.290 451 I C -0.482 175.646 176.117 0.018 0.000 1.056 451 I CA -1.121 60.190 61.300 0.019 0.000 1.057 451 I CB 1.862 39.863 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 -1.564 174.743 176.300 0.012 0.000 1.054 452 R CA -0.210 55.905 56.100 0.025 0.000 0.912 452 R CB 0.926 31.248 30.300 0.037 0.000 1.030 452 R HN 0.419 nan 8.270 nan 0.000 0.455 453 V N 6.013 125.932 119.914 0.009 0.000 2.333 453 V HA 0.742 4.862 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 0.660 62.960 62.300 0.001 0.000 0.851 453 V CB 0.297 32.115 31.823 -0.009 0.000 1.000 453 V HN 1.068 nan 8.190 nan 0.000 0.456 454 G N 5.362 114.165 108.800 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 -0.614 174.293 174.900 0.012 0.000 1.248 454 G CA -0.756 44.349 45.100 0.008 0.000 1.033 454 G HN 0.552 nan 8.290 nan 0.000 0.502 455 N N 1.089 119.798 118.700 0.015 0.000 2.381 455 N HA 0.356 5.096 4.740 -0.000 0.000 0.254 455 N C 0.732 176.268 175.510 0.044 0.000 1.264 455 N CA 0.287 53.345 53.050 0.014 0.000 0.942 455 N CB 0.219 38.704 38.487 -0.003 0.000 1.190 455 N HN 0.915 nan 8.380 nan 0.000 0.495 456 N N -0.573 118.158 118.700 0.052 0.000 2.408 456 N HA 0.112 4.852 4.740 -0.000 0.000 0.260 456 N C -0.665 174.948 175.510 0.170 0.000 1.242 456 N CA -0.380 52.736 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 0.382 nan 8.380 nan 0.000 0.511 457 F N -0.098 119.888 119.950 0.061 0.000 2.467 457 F HA 0.529 5.056 4.527 -0.000 0.000 0.362 457 F C -0.162 175.660 175.800 0.038 0.000 1.090 457 F CA -0.713 57.310 58.000 0.039 0.000 1.202 457 F CB -0.164 38.859 39.000 0.038 0.000 1.113 457 F HN 0.727 nan 8.300 nan 0.000 0.541 458 A N 7.641 130.031 122.820 -0.716 0.000 2.498 458 A HA 0.806 5.126 4.320 -0.000 0.000 0.298 458 A C -1.250 175.870 177.584 -0.773 0.000 1.075 458 A CA -0.903 50.700 52.037 -0.723 0.000 0.714 458 A CB 1.547 20.196 19.000 -0.584 0.000 1.299 458 A HN 0.668 nan 8.150 nan 0.000 0.407 459 M N 1.441 120.702 119.600 -0.565 0.000 2.393 459 M HA 0.446 4.926 4.480 -0.000 0.000 0.316 459 M C -0.438 175.785 176.300 -0.129 0.000 1.087 459 M CA -0.175 54.933 55.300 -0.320 0.000 0.937 459 M CB 1.726 34.172 32.600 -0.256 0.000 1.668 459 M HN 0.930 nan 8.290 nan 0.000 0.438 460 E N 2.239 122.416 120.200 -0.039 0.000 2.222 460 E HA 0.763 5.113 4.350 -0.000 0.000 0.272 460 E C -1.657 174.888 176.600 -0.091 0.000 0.982 460 E CA -0.597 55.783 56.400 -0.033 0.000 0.842 460 E CB 2.526 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 2.701 123.184 120.570 -0.147 0.000 2.787 461 I HA 0.233 4.403 4.170 -0.000 0.000 0.294 461 I C -1.758 174.278 176.117 -0.135 0.000 1.365 461 I CA -0.718 60.513 61.300 -0.116 0.000 1.029 461 I CB 1.957 39.908 38.000 -0.081 0.000 1.313 461 I HN 0.402 nan 8.210 nan 0.000 0.431 462 N N 7.598 126.236 118.700 -0.105 0.000 2.767 462 N HA 0.290 5.030 4.740 -0.000 0.000 0.238 462 N C 0.803 176.286 175.510 -0.046 0.000 1.083 462 N CA -0.150 52.847 53.050 -0.088 0.000 0.964 462 N CB 0.506 38.946 38.487 -0.078 0.000 1.252 462 N HN 0.727 nan 8.380 nan 0.000 0.512 463 L N 1.812 123.005 121.223 -0.051 0.000 1.963 463 L HA -0.281 4.059 4.340 -0.000 0.000 0.220 463 L C 1.776 178.653 176.870 0.012 0.000 1.076 463 L CA 1.237 56.065 54.840 -0.020 0.000 0.772 463 L CB -0.434 41.608 42.059 -0.028 0.000 0.892 463 L HN 0.479 nan 8.230 nan 0.000 0.435 464 N N 0.072 118.776 118.700 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 1.660 54.728 53.050 0.031 0.000 0.852 464 N CB -0.388 38.097 38.487 -0.004 0.000 1.018 464 N HN 0.367 nan 8.380 nan 0.000 0.423 465 A N 1.721 124.586 122.820 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 1.284 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 0.282 nan 8.150 nan 0.000 0.445 466 N N 0.159 118.910 118.700 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 54.833 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 0.087 121.385 121.223 0.126 0.000 1.990 467 L HA -0.223 4.117 4.340 -0.000 0.000 0.213 467 L C 2.506 179.532 176.870 0.261 0.000 1.072 467 L CA 1.418 56.356 54.840 0.163 0.000 0.755 467 L CB -0.632 41.509 42.059 0.136 0.000 0.889 467 L HN 0.458 nan 8.230 nan 0.000 0.432 468 W N 1.376 122.708 121.300 0.053 0.000 2.321 468 W HA -0.271 4.389 4.660 -0.000 0.000 0.306 468 W C 2.728 179.333 176.519 0.143 0.000 1.217 468 W CA 1.384 58.773 57.345 0.073 0.000 1.257 468 W CB -0.122 29.346 29.460 0.013 0.000 1.145 468 W HN 0.123 nan 8.180 nan 0.000 0.509 469 R N 0.272 120.787 120.500 0.025 0.000 2.080 469 R HA -0.218 4.122 4.340 -0.000 0.000 0.236 469 R C 1.907 178.183 176.300 -0.040 0.000 1.137 469 R CA 2.319 58.354 56.100 -0.107 0.000 0.943 469 R CB -0.707 29.572 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 -0.209 4.530 4.740 -0.000 0.000 0.190 470 N C 1.339 176.928 175.510 0.131 0.000 1.017 470 N CA 1.363 54.470 53.050 0.094 0.000 0.859 470 N CB -0.292 38.259 38.487 0.107 0.000 1.002 470 N HN 0.183 nan 8.380 nan 0.000 0.428 471 F N 0.798 120.745 119.950 -0.005 0.000 2.146 471 F HA 0.013 4.540 4.527 -0.000 0.000 0.298 471 F C 1.706 177.444 175.800 -0.102 0.000 1.096 471 F CA 1.019 59.015 58.000 -0.007 0.000 1.275 471 F CB -0.182 38.843 39.000 0.041 0.000 1.008 471 F HN -0.030 nan 8.300 nan 0.000 0.480 472 L N -1.155 119.905 121.223 -0.273 0.000 2.027 472 L HA -0.220 4.120 4.340 -0.000 0.000 0.206 472 L C 2.328 179.064 176.870 -0.222 0.000 1.074 472 L CA 1.528 56.135 54.840 -0.387 0.000 0.745 472 L CB -1.052 40.725 42.059 -0.471 0.000 0.898 472 L HN 0.177 nan 8.230 nan 0.000 0.433 473 Y N 0.119 120.290 120.300 -0.216 0.000 2.145 473 Y HA -0.307 4.243 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 1.793 59.806 58.100 -0.146 0.000 1.148 473 Y CB -0.274 38.115 38.460 -0.118 0.000 0.981 473 Y HN 0.148 nan 8.280 nan 0.000 0.507 474 S N -0.093 115.601 115.700 -0.011 0.000 2.356 474 S HA -0.188 4.282 4.470 -0.000 0.000 0.223 474 S C 1.797 176.428 174.600 0.050 0.000 1.032 474 S CA 1.779 59.972 58.200 -0.012 0.000 1.005 474 S CB -0.435 62.806 63.200 0.068 0.000 0.867 474 S HN 0.619 nan 8.310 nan 0.000 0.449 475 N N 0.047 118.689 118.700 -0.098 0.000 2.395 475 N HA 0.156 4.896 4.740 -0.000 0.000 0.175 475 N C 1.421 176.942 175.510 0.018 0.000 1.029 475 N CA 1.125 54.152 53.050 -0.038 0.000 0.897 475 N CB 0.060 38.274 38.487 -0.455 0.000 0.991 475 N HN 0.439 nan 8.380 nan 0.000 0.441 476 I N 0.609 121.106 120.570 -0.121 0.000 3.345 476 I HA 0.134 4.304 4.170 -0.000 0.000 0.258 476 I C 2.262 178.342 176.117 -0.062 0.000 1.134 476 I CA 0.274 61.531 61.300 -0.071 0.000 1.457 476 I CB -0.520 37.397 38.000 -0.138 0.000 1.425 476 I HN -0.141 nan 8.210 nan 0.000 0.461 477 A N 1.453 124.158 122.820 -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 2.136 53.991 52.037 -0.303 0.000 0.650 477 A CB -1.391 17.297 19.000 -0.520 0.000 0.836 477 A HN 0.406 nan 8.150 nan 0.000 0.454 478 L N -2.254 118.669 121.223 -0.500 0.000 2.261 478 L HA -0.205 4.135 4.340 -0.000 0.000 0.216 478 L C 2.001 178.575 176.870 -0.494 0.000 1.114 478 L CA 1.049 55.572 54.840 -0.528 0.000 0.777 478 L CB -0.433 41.270 42.059 -0.593 0.000 0.910 478 L HN 0.544 nan 8.230 nan 0.000 0.440 479 Y N -0.964 119.206 120.300 -0.217 0.000 2.466 479 Y HA 0.174 4.724 4.550 -0.000 0.000 0.272 479 Y C 1.137 176.965 175.900 -0.120 0.000 1.169 479 Y CA -0.641 57.375 58.100 -0.140 0.000 1.285 479 Y CB -0.144 38.275 38.460 -0.069 0.000 1.078 479 Y HN 0.003 nan 8.280 nan 0.000 0.523 480 L N 2.258 123.447 121.223 -0.057 0.000 2.492 480 L HA 0.003 4.343 4.340 -0.000 0.000 0.280 480 L C -1.891 174.919 176.870 -0.100 0.000 1.240 480 L CA -1.652 53.139 54.840 -0.082 0.000 0.831 480 L CB 0.054 42.027 42.059 -0.144 0.000 1.100 480 L HN -0.060 nan 8.230 nan 0.000 0.505 481 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 -0.106 62.947 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 2.396 122.764 120.400 -0.054 0.000 2.158 482 D HA -0.221 4.419 4.640 -0.000 0.000 0.197 482 D C 1.732 178.003 176.300 -0.048 0.000 0.995 482 D CA 1.435 55.411 54.000 -0.039 0.000 0.846 482 D CB -0.146 40.693 40.800 0.065 0.000 0.941 482 D HN 0.437 nan 8.370 nan 0.000 0.456 483 K N 0.362 120.734 120.400 -0.048 0.000 2.218 483 K HA -0.166 4.154 4.320 -0.000 0.000 0.205 483 K C 1.834 178.383 176.600 -0.084 0.000 1.046 483 K CA 1.056 57.314 56.287 -0.048 0.000 0.933 483 K CB -0.384 32.094 32.500 -0.037 0.000 0.728 483 K HN 0.289 nan 8.250 nan 0.000 0.454 484 L N 0.677 121.809 121.223 -0.153 0.000 2.558 484 L HA 0.096 4.436 4.340 -0.000 0.000 0.225 484 L C 0.888 177.697 176.870 -0.101 0.000 1.128 484 L CA 0.133 54.868 54.840 -0.175 0.000 0.868 484 L CB 0.036 41.901 42.059 -0.322 0.000 1.006 484 L HN 0.097 nan 8.230 nan 0.000 0.454 485 K N -0.065 120.273 120.400 -0.103 0.000 2.209 485 K HA 0.465 4.785 4.320 -0.000 0.000 0.238 485 K C -1.115 175.475 176.600 -0.016 0.000 1.028 485 K CA -0.622 55.586 56.287 -0.132 0.000 0.935 485 K CB 1.225 33.584 32.500 -0.234 0.000 1.162 485 K HN -0.140 nan 8.250 nan 0.000 0.485 486 Y N -3.028 117.198 120.300 -0.123 0.000 2.581 486 Y HA 0.401 4.951 4.550 -0.000 0.000 0.337 486 Y C -1.016 174.813 175.900 -0.118 0.000 1.108 486 Y CA -1.171 56.868 58.100 -0.102 0.000 1.033 486 Y CB 0.916 39.324 38.460 -0.087 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 -2.457 172.217 174.600 0.123 0.000 1.326 487 S CA -0.860 57.351 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 0.255 nan 4.420 nan 0.000 0.277 488 P C -0.941 176.388 177.300 0.049 0.000 1.240 488 P CA -0.609 62.526 63.100 0.058 0.000 0.798 488 P CB 0.495 32.191 31.700 -0.006 0.000 0.979 489 S N 1.753 117.485 115.700 0.053 0.000 2.565 489 S HA 0.191 4.661 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 -0.635 57.570 58.200 0.009 0.000 1.043 489 S CB -0.310 62.896 63.200 0.009 0.000 0.939 489 S HN 0.539 nan 8.310 nan 0.000 0.504 490 N N -0.895 117.781 118.700 -0.040 0.000 2.725 490 N HA -0.144 4.596 4.740 -0.000 0.000 0.249 490 N C -1.110 174.368 175.510 -0.053 0.000 1.103 490 N CA 0.590 53.606 53.050 -0.057 0.000 0.707 490 N CB -1.546 36.884 38.487 -0.095 0.000 1.043 490 N HN 0.444 nan 8.380 nan 0.000 0.553 491 V N -0.459 119.435 119.914 -0.033 0.000 2.524 491 V HA 0.559 4.679 4.120 -0.000 0.000 0.297 491 V C 0.604 176.687 176.094 -0.017 0.000 1.035 491 V CA -0.693 61.592 62.300 -0.026 0.000 0.867 491 V CB 1.870 33.681 31.823 -0.020 0.000 1.004 491 V HN 0.335 nan 8.190 nan 0.000 0.426 492 K N 4.675 125.068 120.400 -0.012 0.000 2.448 492 K HA 0.634 4.954 4.320 -0.000 0.000 0.278 492 K C -0.578 176.017 176.600 -0.009 0.000 1.009 492 K CA 0.333 56.617 56.287 -0.005 0.000 0.995 492 K CB 0.643 33.142 32.500 -0.001 0.000 0.917 492 K HN 0.772 nan 8.250 nan 0.000 0.481 493 I N 1.036 121.608 120.570 0.003 0.000 2.722 493 I HA 0.331 4.501 4.170 -0.000 0.000 0.295 493 I C 0.321 176.472 176.117 0.056 0.000 1.161 493 I CA -0.636 60.669 61.300 0.009 0.000 1.032 493 I CB 2.261 40.250 38.000 -0.019 0.000 1.244 493 I HN 0.841 nan 8.210 nan 0.000 0.421 494 S N 3.702 119.449 115.700 0.078 0.000 2.569 494 S HA 0.012 4.482 4.470 -0.000 0.000 0.274 494 S C 0.494 175.156 174.600 0.102 0.000 1.353 494 S CA 0.573 58.822 58.200 0.082 0.000 1.023 494 S CB 0.727 63.969 63.200 0.071 0.000 0.876 494 S HN 0.732 nan 8.310 nan 0.000 0.540 495 D N 0.798 121.211 120.400 0.021 0.000 2.327 495 D HA 0.126 4.766 4.640 -0.000 0.000 0.205 495 D C 0.007 176.224 176.300 -0.139 0.000 0.989 495 D CA 0.291 54.272 54.000 -0.031 0.000 0.873 495 D CB 0.042 40.829 40.800 -0.022 0.000 0.955 495 D HN 0.422 nan 8.370 nan 0.000 0.515 496 N N 0.799 119.423 118.700 -0.128 0.000 2.406 496 N HA 0.075 4.815 4.740 -0.000 0.000 0.251 496 N C -1.928 173.373 175.510 -0.349 0.000 1.069 496 N CA -1.909 51.032 53.050 -0.181 0.000 0.947 496 N CB 1.431 39.870 38.487 -0.080 0.000 1.111 496 N HN -0.113 nan 8.380 nan 0.000 0.497 497 P HA 0.014 nan 4.420 nan 0.000 0.229 497 P C 0.135 177.282 177.300 -0.255 0.000 1.160 497 P CA 0.782 63.365 63.100 -0.862 0.000 0.777 497 P CB 0.420 31.691 31.700 -0.714 0.000 0.814 498 N N -0.982 117.633 118.700 -0.142 0.000 2.383 498 N HA 0.015 4.755 4.740 -0.000 0.000 0.192 498 N C 0.525 176.034 175.510 -0.002 0.000 1.141 498 N CA 0.546 53.574 53.050 -0.038 0.000 0.851 498 N CB -0.321 38.147 38.487 -0.031 0.000 0.976 498 N HN 0.104 nan 8.380 nan 0.000 0.465 499 T N -0.324 114.233 114.554 0.005 0.000 2.922 499 T HA 0.085 4.435 4.350 -0.000 0.000 0.285 499 T C 0.962 175.719 174.700 0.094 0.000 1.005 499 T CA -0.439 61.695 62.100 0.056 0.000 1.061 499 T CB 1.264 70.162 68.868 0.049 0.000 1.007 499 T HN 0.145 nan 8.240 nan 0.000 0.502 500 Y N 2.241 122.526 120.300 -0.025 0.000 2.220 500 Y HA -0.078 4.472 4.550 -0.000 0.000 0.291 500 Y C 2.183 178.035 175.900 -0.079 0.000 1.129 500 Y CA 2.082 60.144 58.100 -0.063 0.000 1.161 500 Y CB -0.205 38.204 38.460 -0.086 0.000 0.997 500 Y HN 0.849 nan 8.280 nan 0.000 0.522 501 D N -0.929 119.483 120.400 0.019 0.000 2.133 501 D HA -0.314 4.326 4.640 -0.000 0.000 0.195 501 D C 2.028 178.221 176.300 -0.178 0.000 0.997 501 D CA 1.863 55.810 54.000 -0.089 0.000 0.840 501 D CB -0.536 40.274 40.800 0.017 0.000 0.947 501 D HN 0.488 nan 8.370 nan 0.000 0.452 502 Y N 0.502 120.687 120.300 -0.192 0.000 2.089 502 Y HA -0.187 4.363 4.550 -0.000 0.000 0.282 502 Y C 2.297 178.041 175.900 -0.260 0.000 1.139 502 Y CA 1.848 59.838 58.100 -0.184 0.000 1.123 502 Y CB -0.376 38.011 38.460 -0.121 0.000 0.980 502 Y HN 0.000 nan 8.280 nan 0.000 0.493 503 M N -0.217 119.263 119.600 -0.199 0.000 2.202 503 M HA -0.235 4.245 4.480 -0.000 0.000 0.262 503 M C 1.792 177.777 176.300 -0.525 0.000 1.063 503 M CA 2.050 57.150 55.300 -0.333 0.000 1.097 503 M CB -0.470 31.983 32.600 -0.245 0.000 1.382 503 M HN 0.308 nan 8.290 nan 0.000 0.413 504 N N 0.382 118.677 118.700 -0.676 0.000 2.376 504 N HA -0.055 4.685 4.740 -0.000 0.000 0.177 504 N C 1.305 176.422 175.510 -0.656 0.000 1.024 504 N CA 1.032 53.622 53.050 -0.766 0.000 0.893 504 N CB 0.244 38.077 38.487 -1.089 0.000 0.980 504 N HN 0.222 nan 8.380 nan 0.000 0.439 505 K N -0.559 119.516 120.400 -0.542 0.000 2.276 505 K HA 0.198 4.518 4.320 -0.000 0.000 0.198 505 K C -0.000 176.376 176.600 -0.373 0.000 1.052 505 K CA -0.162 55.883 56.287 -0.404 0.000 0.984 505 K CB 0.352 32.676 32.500 -0.294 0.000 0.836 505 K HN -0.017 nan 8.250 nan 0.000 0.490 506 R N 1.811 122.000 120.500 -0.517 0.000 2.537 506 R HA -0.028 4.312 4.340 -0.000 0.000 0.281 506 R C -0.042 175.993 176.300 -0.441 0.000 0.988 506 R CA 0.193 55.980 56.100 -0.520 0.000 1.077 506 R CB 0.234 30.158 30.300 -0.626 0.000 0.932 506 R HN 0.014 nan 8.270 nan 0.000 0.409 507 V N 2.810 122.401 119.914 -0.539 0.000 2.612 507 V HA 0.574 4.694 4.120 -0.000 0.000 0.301 507 V C -0.479 175.228 176.094 -0.645 0.000 1.046 507 V CA -0.680 61.274 62.300 -0.576 0.000 0.946 507 V CB 2.041 33.487 31.823 -0.628 0.000 1.003 507 V HN 0.446 nan 8.190 nan 0.000 0.459 508 V N 5.968 125.673 119.914 -0.348 0.000 2.709 508 V HA 0.876 4.996 4.120 -0.000 0.000 0.308 508 V C 0.323 176.427 176.094 0.016 0.000 1.062 508 V CA -0.035 62.140 62.300 -0.208 0.000 0.901 508 V CB 1.685 33.368 31.823 -0.233 0.000 1.003 508 V HN 1.613 nan 8.190 nan 0.000 0.425 509 A N 7.920 130.767 122.820 0.045 0.000 2.404 509 A HA 0.596 4.916 4.320 -0.000 0.000 0.273 509 A C -1.629 176.040 177.584 0.142 0.000 1.144 509 A CA -1.075 51.013 52.037 0.085 0.000 0.806 509 A CB 0.331 19.355 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 1.561 178.896 177.300 0.059 0.000 1.148 510 P CA 1.677 64.875 63.100 0.165 0.000 0.803 510 P CB 0.071 31.690 31.700 -0.136 0.000 0.782 511 G N -0.327 108.495 108.800 0.037 0.000 2.535 511 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.218 511 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.218 511 G C 1.411 176.345 174.900 0.057 0.000 1.122 511 G CA 0.250 45.381 45.100 0.052 0.000 0.769 511 G HN 0.256 nan 8.290 nan 0.000 0.549 512 L N -0.326 120.927 121.223 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 0.559 55.441 54.840 0.070 0.000 0.760 512 L CB 0.139 42.225 42.059 0.044 0.000 0.910 512 L HN 0.037 nan 8.230 nan 0.000 0.437 513 V N -0.786 119.139 119.914 0.017 0.000 2.468 513 V HA 0.221 4.341 4.120 -0.000 0.000 0.256 513 V C -0.404 175.609 176.094 -0.135 0.000 0.998 513 V CA -0.582 61.698 62.300 -0.034 0.000 1.114 513 V CB 0.514 32.308 31.823 -0.049 0.000 1.378 513 V HN 0.103 nan 8.190 nan 0.000 0.573 514 D N 0.555 120.811 120.400 -0.240 0.000 2.383 514 D HA 0.128 4.768 4.640 -0.000 0.000 0.248 514 D C 1.506 177.517 176.300 -0.482 0.000 1.170 514 D CA -0.010 53.720 54.000 -0.450 0.000 0.977 514 D CB 2.249 42.627 40.800 -0.703 0.000 1.120 514 D HN 0.537 nan 8.370 nan 0.000 0.481 515 C N 0.651 119.723 119.300 -0.381 0.000 2.400 515 C HA -0.161 4.299 4.460 -0.000 0.000 0.291 515 C C 1.904 176.966 174.990 0.120 0.000 1.372 515 C CA 0.183 59.159 59.018 -0.070 0.000 1.800 515 C CB -2.138 25.721 27.740 0.198 0.000 1.869 515 C HN 0.611 nan 8.230 nan 0.000 0.533 516 Y N -1.144 119.262 120.300 0.176 0.000 2.532 516 Y HA 0.592 5.142 4.550 -0.000 0.000 0.283 516 Y C 0.786 176.758 175.900 0.120 0.000 1.181 516 Y CA -2.166 56.018 58.100 0.141 0.000 1.256 516 Y CB -1.084 37.432 38.460 0.094 0.000 1.112 516 Y HN 0.176 nan 8.280 nan 0.000 0.521 517 I N 3.442 124.092 120.570 0.134 0.000 2.533 517 I HA 0.036 4.206 4.170 -0.000 0.000 0.284 517 I C 0.167 176.388 176.117 0.172 0.000 1.109 517 I CA 0.160 61.558 61.300 0.164 0.000 1.412 517 I CB -0.400 37.648 38.000 0.080 0.000 1.396 517 I HN 0.526 nan 8.210 nan 0.000 0.543 518 N N 5.546 124.325 118.700 0.132 0.000 2.698 518 N HA -0.245 4.495 4.740 -0.000 0.000 0.258 518 N C -0.082 175.482 175.510 0.090 0.000 0.978 518 N CA 0.502 53.593 53.050 0.070 0.000 0.777 518 N CB -0.909 37.621 38.487 0.071 0.000 0.907 518 N HN 0.550 nan 8.380 nan 0.000 0.543 519 L N 0.102 121.381 121.223 0.095 0.000 2.578 519 L HA 0.014 4.354 4.340 -0.000 0.000 0.279 519 L C 1.657 178.556 176.870 0.048 0.000 1.227 519 L CA 1.213 56.107 54.840 0.091 0.000 0.900 519 L CB 0.088 42.200 42.059 0.090 0.000 1.144 519 L HN 0.646 nan 8.230 nan 0.000 0.496 520 G N 2.629 111.460 108.800 0.052 0.000 2.162 520 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.260 520 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.260 520 G C 0.162 175.090 174.900 0.046 0.000 0.976 520 G CA 0.153 45.277 45.100 0.039 0.000 0.655 520 G HN 0.999 nan 8.290 nan 0.000 0.533 521 A N -0.670 122.190 122.820 0.067 0.000 2.322 521 A HA 0.899 5.219 4.320 -0.000 0.000 0.327 521 A C 0.361 178.035 177.584 0.149 0.000 1.134 521 A CA -0.166 51.925 52.037 0.089 0.000 0.831 521 A CB 1.043 20.076 19.000 0.054 0.000 1.288 521 A HN 0.688 nan 8.150 nan 0.000 0.472 522 R N 1.475 122.081 120.500 0.176 0.000 2.575 522 R HA 0.292 4.632 4.340 -0.000 0.000 0.281 522 R C -1.596 174.868 176.300 0.273 0.000 1.272 522 R CA -0.169 56.036 56.100 0.175 0.000 1.417 522 R CB 0.425 30.790 30.300 0.109 0.000 1.121 522 R HN 0.773 nan 8.270 nan 0.000 0.583 523 W N 3.518 124.827 121.300 0.015 0.000 2.998 523 W HA 0.266 4.926 4.660 -0.000 0.000 0.335 523 W C -1.058 175.456 176.519 -0.009 0.000 1.110 523 W CA -0.648 56.695 57.345 -0.003 0.000 1.230 523 W CB 2.213 31.676 29.460 0.005 0.000 1.405 523 W HN 0.488 nan 8.180 nan 0.000 0.493 524 S N 4.805 120.189 115.700 -0.527 0.000 2.537 524 S HA 0.490 4.960 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 -0.696 57.261 58.200 -0.405 0.000 1.050 524 S CB 1.400 64.347 63.200 -0.423 0.000 0.961 524 S HN 0.439 nan 8.310 nan 0.000 0.496 525 L N 2.812 123.962 121.223 -0.122 0.000 2.499 525 L HA 0.064 4.404 4.340 -0.000 0.000 0.273 525 L C 0.944 177.776 176.870 -0.064 0.000 1.195 525 L CA -0.304 54.548 54.840 0.020 0.000 0.882 525 L CB 0.124 42.241 42.059 0.097 0.000 1.133 525 L HN 0.756 nan 8.230 nan 0.000 0.483 526 D N 1.769 122.164 120.400 -0.008 0.000 2.263 526 D HA -0.186 4.454 4.640 -0.000 0.000 0.208 526 D C 1.623 177.900 176.300 -0.039 0.000 0.971 526 D CA 1.416 55.376 54.000 -0.067 0.000 0.867 526 D CB 0.122 40.909 40.800 -0.021 0.000 0.929 526 D HN 0.479 nan 8.370 nan 0.000 0.492 527 Y N -0.169 120.156 120.300 0.042 0.000 2.286 527 Y HA -0.000 4.550 4.550 -0.000 0.000 0.293 527 Y C 2.186 178.093 175.900 0.012 0.000 1.124 527 Y CA 0.643 58.764 58.100 0.035 0.000 1.178 527 Y CB -0.129 38.353 38.460 0.037 0.000 1.010 527 Y HN -0.043 nan 8.280 nan 0.000 0.536 528 M N -0.609 119.073 119.600 0.137 0.000 2.541 528 M HA -0.048 4.432 4.480 -0.000 0.000 0.252 528 M C 1.056 177.345 176.300 -0.018 0.000 1.125 528 M CA 0.630 55.950 55.300 0.034 0.000 1.091 528 M CB -0.724 31.856 32.600 -0.033 0.000 1.420 528 M HN 0.147 nan 8.290 nan 0.000 0.486 529 D N 1.663 122.040 120.400 -0.038 0.000 2.116 529 D HA -0.156 4.484 4.640 -0.000 0.000 0.193 529 D C 1.097 177.496 176.300 0.165 0.000 0.998 529 D CA 1.232 55.188 54.000 -0.074 0.000 0.836 529 D CB -0.245 40.436 40.800 -0.197 0.000 0.951 529 D HN 0.335 nan 8.370 nan 0.000 0.449 530 N N 0.022 118.860 118.700 0.230 0.000 2.314 530 N HA 0.031 4.771 4.740 -0.000 0.000 0.200 530 N C -0.458 175.266 175.510 0.356 0.000 1.135 530 N CA 0.016 53.269 53.050 0.339 0.000 0.835 530 N CB 0.944 39.572 38.487 0.236 0.000 0.989 530 N HN 0.012 nan 8.380 nan 0.000 0.478 531 V N 1.680 121.702 119.914 0.181 0.000 2.407 531 V HA 0.117 4.237 4.120 -0.000 0.000 0.278 531 V C 0.586 176.527 176.094 -0.255 0.000 1.037 531 V CA -1.152 61.177 62.300 0.049 0.000 0.900 531 V CB 1.336 33.172 31.823 0.021 0.000 0.983 531 V HN 0.179 nan 8.190 nan 0.000 0.459 532 N N 7.754 126.189 118.700 -0.442 0.000 2.386 532 N HA 0.024 4.764 4.740 -0.000 0.000 0.273 532 N C -1.438 173.768 175.510 -0.507 0.000 1.331 532 N CA -1.198 51.286 53.050 -0.943 0.000 0.891 532 N CB 1.419 39.692 38.487 -0.356 0.000 1.139 532 N HN 0.339 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 -0.738 0.000 0.787 533 P CB 0.002 30.963 31.700 -1.231 0.000 0.802 534 F N -0.200 119.722 119.950 -0.046 0.000 2.367 534 F HA 0.023 4.550 4.527 -0.000 0.000 0.298 534 F C 1.103 176.951 175.800 0.080 0.000 1.094 534 F CA 0.401 58.445 58.000 0.073 0.000 1.409 534 F CB -1.150 37.913 39.000 0.105 0.000 1.064 534 F HN -0.153 nan 8.300 nan 0.000 0.528 535 N N 1.461 120.277 118.700 0.193 0.000 2.671 535 N HA 0.006 4.746 4.740 -0.000 0.000 0.274 535 N C -0.654 174.981 175.510 0.208 0.000 1.188 535 N CA 0.431 53.604 53.050 0.204 0.000 1.065 535 N CB -0.489 38.123 38.487 0.208 0.000 1.415 535 N HN 0.306 nan 8.380 nan 0.000 0.511 536 H N 0.548 119.651 119.070 0.055 0.000 3.064 536 H HA 0.029 4.585 4.556 -0.000 0.000 0.352 536 H C 0.767 176.147 175.328 0.086 0.000 1.260 536 H CA -0.380 55.620 56.048 -0.079 0.000 1.160 536 H CB 1.205 30.711 29.762 -0.427 0.000 1.879 536 H HN 0.506 nan 8.280 nan 0.000 0.544 537 H N 2.327 121.441 119.070 0.073 0.000 2.546 537 H HA 0.070 4.626 4.556 -0.000 0.000 0.277 537 H C 0.507 176.025 175.328 0.316 0.000 1.004 537 H CA 0.457 56.691 56.048 0.310 0.000 1.231 537 H CB 0.272 30.201 29.762 0.278 0.000 1.382 537 H HN 0.347 nan 8.280 nan 0.000 0.580 538 R N 0.937 121.465 120.500 0.047 0.000 2.388 538 R HA 0.032 4.372 4.340 -0.000 0.000 0.247 538 R C 0.120 176.426 176.300 0.011 0.000 0.931 538 R CA -0.242 55.844 56.100 -0.022 0.000 1.082 538 R CB 0.119 30.327 30.300 -0.154 0.000 1.135 538 R HN 0.111 nan 8.270 nan 0.000 0.525 539 N N 1.208 119.945 118.700 0.062 0.000 2.415 539 N HA 0.049 4.789 4.740 -0.000 0.000 0.250 539 N C 0.699 176.230 175.510 0.035 0.000 1.127 539 N CA -0.014 53.082 53.050 0.076 0.000 0.945 539 N CB 1.263 39.836 38.487 0.143 0.000 1.196 539 N HN 0.104 nan 8.380 nan 0.000 0.499 540 A N 3.713 126.565 122.820 0.054 0.000 1.908 540 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 540 A C 1.980 179.608 177.584 0.074 0.000 1.181 540 A CA 1.942 54.031 52.037 0.087 0.000 0.627 540 A CB -1.140 17.946 19.000 0.142 0.000 0.818 540 A HN 0.666 nan 8.150 nan 0.000 0.445 541 G N -0.126 108.691 108.800 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 46.315 45.100 -0.141 0.000 0.776 541 G HN 0.652 nan 8.290 nan 0.000 0.552 542 L N 0.485 121.693 121.223 -0.024 0.000 2.056 542 L HA 0.131 4.471 4.340 -0.000 0.000 0.207 542 L C 2.668 179.491 176.870 -0.077 0.000 1.078 542 L CA 2.162 56.994 54.840 -0.012 0.000 0.749 542 L CB -0.615 41.474 42.059 0.051 0.000 0.901 542 L HN 0.231 nan 8.230 nan 0.000 0.433 543 R N -1.672 118.715 120.500 -0.187 0.000 2.083 543 R HA -0.273 4.067 4.340 -0.000 0.000 0.237 543 R C 2.433 178.641 176.300 -0.153 0.000 1.137 543 R CA 2.162 57.998 56.100 -0.439 0.000 0.951 543 R CB -0.715 29.310 30.300 -0.459 0.000 0.851 543 R HN 0.580 nan 8.270 nan 0.000 0.434 544 Y N 0.758 120.969 120.300 -0.149 0.000 2.181 544 Y HA -0.173 4.377 4.550 -0.000 0.000 0.288 544 Y C 2.126 177.978 175.900 -0.080 0.000 1.146 544 Y CA 1.739 59.788 58.100 -0.084 0.000 1.164 544 Y CB -0.008 38.385 38.460 -0.110 0.000 0.982 544 Y HN -0.019 nan 8.280 nan 0.000 0.515 545 R N -0.581 119.884 120.500 -0.059 0.000 2.115 545 R HA -0.133 4.207 4.340 -0.000 0.000 0.230 545 R C 2.756 179.013 176.300 -0.072 0.000 1.111 545 R CA 1.236 57.275 56.100 -0.102 0.000 0.976 545 R CB -0.475 29.800 30.300 -0.041 0.000 0.870 545 R HN 0.301 nan 8.270 nan 0.000 0.445 546 S N 0.296 115.988 115.700 -0.014 0.000 2.368 546 S HA -0.112 4.358 4.470 -0.000 0.000 0.224 546 S C 1.877 176.529 174.600 0.086 0.000 1.029 546 S CA 1.109 59.364 58.200 0.092 0.000 0.988 546 S CB 0.028 63.417 63.200 0.315 0.000 0.838 546 S HN 0.207 nan 8.310 nan 0.000 0.462 547 M N 0.436 120.053 119.600 0.028 0.000 2.319 547 M HA 0.021 4.501 4.480 -0.000 0.000 0.265 547 M C 1.853 178.105 176.300 -0.079 0.000 1.068 547 M CA 0.588 55.898 55.300 0.018 0.000 1.118 547 M CB -0.287 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 0.501 121.598 121.223 -0.210 0.000 2.127 548 L HA -0.153 4.187 4.340 -0.000 0.000 0.211 548 L C 2.014 178.854 176.870 -0.049 0.000 1.089 548 L CA 1.840 56.550 54.840 -0.216 0.000 0.757 548 L CB -0.639 41.248 42.059 -0.288 0.000 0.899 548 L HN 0.314 nan 8.230 nan 0.000 0.434 549 L N -2.047 119.174 121.223 -0.004 0.000 2.209 549 L HA 0.259 4.599 4.340 -0.000 0.000 0.207 549 L C 1.143 178.040 176.870 0.045 0.000 1.094 549 L CA 0.500 55.367 54.840 0.046 0.000 0.790 549 L CB -0.382 41.684 42.059 0.011 0.000 0.932 549 L HN 0.443 nan 8.230 nan 0.000 0.447 550 G N 0.108 108.939 108.800 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 -0.478 174.521 174.900 0.166 0.000 1.284 550 G CA -0.056 45.096 45.100 0.086 0.000 0.985 550 G HN 0.114 nan 8.290 nan 0.000 0.504 551 N N 0.075 118.887 118.700 0.187 0.000 2.203 551 N HA 0.341 5.081 4.740 -0.000 0.000 0.207 551 N C 0.731 176.447 175.510 0.343 0.000 1.130 551 N CA 0.791 54.008 53.050 0.279 0.000 0.861 551 N CB 1.014 39.599 38.487 0.164 0.000 1.005 551 N HN 1.121 nan 8.380 nan 0.000 0.507 552 G N -0.118 108.833 108.800 0.252 0.000 2.432 552 G HA2 0.312 4.272 3.960 -0.000 0.000 0.331 552 G HA3 0.312 4.272 3.960 -0.000 0.000 0.331 552 G C 0.400 175.319 174.900 0.032 0.000 1.170 552 G CA -0.733 44.478 45.100 0.186 0.000 0.943 552 G HN 0.026 nan 8.290 nan 0.000 0.483 553 R N -0.300 120.164 120.500 -0.060 0.000 2.080 553 R HA -0.088 4.252 4.340 -0.000 0.000 0.236 553 R C -0.088 175.964 176.300 -0.414 0.000 1.137 553 R CA 1.114 57.009 56.100 -0.342 0.000 0.943 553 R CB -0.293 29.633 30.300 -0.624 0.000 0.846 553 R HN 0.520 nan 8.270 nan 0.000 0.431 554 Y N 0.192 120.484 120.300 -0.013 0.000 2.365 554 Y HA 0.298 4.848 4.550 -0.000 0.000 0.340 554 Y C -0.387 175.514 175.900 0.003 0.000 1.016 554 Y CA -0.651 57.443 58.100 -0.010 0.000 1.196 554 Y CB 1.398 39.863 38.460 0.009 0.000 1.167 554 Y HN -0.236 nan 8.280 nan 0.000 0.509 555 V N 5.737 125.750 119.914 0.165 0.000 2.569 555 V HA 0.416 4.536 4.120 -0.000 0.000 0.301 555 V C -2.594 173.626 176.094 0.209 0.000 1.044 555 V CA -2.164 60.227 62.300 0.153 0.000 0.874 555 V CB 2.193 34.079 31.823 0.105 0.000 1.002 555 V HN 0.508 nan 8.190 nan 0.000 0.424 556 P HA 0.481 nan 4.420 nan 0.000 0.293 556 P C -1.038 176.351 177.300 0.148 0.000 1.300 556 P CA -0.197 62.943 63.100 0.066 0.000 0.792 556 P CB 0.643 32.350 31.700 0.011 0.000 0.925 557 F N 0.127 120.150 119.950 0.121 0.000 2.556 557 F HA 0.673 5.200 4.527 -0.000 0.000 0.327 557 F C -0.570 175.331 175.800 0.169 0.000 1.059 557 F CA -1.122 56.980 58.000 0.169 0.000 0.953 557 F CB 1.742 40.908 39.000 0.278 0.000 1.227 557 F HN 0.358 nan 8.300 nan 0.000 0.478 558 H N 3.851 123.065 119.070 0.239 0.000 3.108 558 H HA 0.622 5.178 4.556 -0.000 0.000 0.329 558 H C -1.365 174.023 175.328 0.099 0.000 0.978 558 H CA -0.884 55.226 56.048 0.102 0.000 1.413 558 H CB 1.477 31.258 29.762 0.031 0.000 1.670 558 H HN 0.874 nan 8.280 nan 0.000 0.512 559 I N 0.965 121.644 120.570 0.181 0.000 3.145 559 I HA 0.527 4.697 4.170 -0.000 0.000 0.313 559 I C -1.573 174.465 176.117 -0.132 0.000 1.122 559 I CA -1.264 59.975 61.300 -0.101 0.000 0.987 559 I CB 2.719 40.488 38.000 -0.385 0.000 1.236 559 I HN 0.398 nan 8.210 nan 0.000 0.453 560 Q N 2.455 122.150 119.800 -0.176 0.000 2.327 560 Q HA 0.608 4.948 4.340 -0.000 0.000 0.270 560 Q C -1.242 174.865 176.000 0.179 0.000 1.022 560 Q CA -0.521 55.267 55.803 -0.025 0.000 0.773 560 Q CB 2.523 31.008 28.738 -0.423 0.000 1.251 560 Q HN 0.551 nan 8.270 nan 0.000 0.457 561 V N 4.243 124.301 119.914 0.240 0.000 2.435 561 V HA 0.621 4.741 4.120 -0.000 0.000 0.290 561 V C -2.220 174.022 176.094 0.247 0.000 1.030 561 V CA -1.966 60.474 62.300 0.233 0.000 0.881 561 V CB 1.480 33.357 31.823 0.090 0.000 0.983 561 V HN 0.670 nan 8.190 nan 0.000 0.445 562 P HA 0.349 nan 4.420 nan 0.000 0.287 562 P C -1.263 175.886 177.300 -0.251 0.000 1.270 562 P CA -0.794 62.079 63.100 -0.378 0.000 0.844 562 P CB 1.087 32.258 31.700 -0.881 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 0.276 176.129 176.000 -0.244 0.000 0.955 563 Q CA 0.606 56.277 55.803 -0.220 0.000 0.936 563 Q CB 0.751 29.361 28.738 -0.214 0.000 1.188 563 Q HN 0.271 nan 8.270 nan 0.000 0.420 564 K N 3.331 123.628 120.400 -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 -0.172 0.000 1.070 564 K CA -0.259 55.799 56.287 -0.382 0.000 0.998 564 K CB 0.292 32.372 32.500 -0.700 0.000 0.911 564 K HN 0.494 nan 8.250 nan 0.000 0.533 565 F N 2.808 122.651 119.950 -0.178 0.000 2.604 565 F HA -0.148 4.379 4.527 -0.000 0.000 0.393 565 F C 1.083 176.873 175.800 -0.016 0.000 1.043 565 F CA -0.870 57.128 58.000 -0.005 0.000 1.227 565 F CB 0.196 39.352 39.000 0.261 0.000 1.016 565 F HN 0.070 nan 8.300 nan 0.000 0.556 566 F N 4.382 123.947 119.950 -0.642 0.000 2.161 566 F HA -0.083 4.444 4.527 -0.000 0.000 0.300 566 F C 1.739 177.254 175.800 -0.476 0.000 1.089 566 F CA 1.330 59.053 58.000 -0.461 0.000 1.282 566 F CB -1.196 37.618 39.000 -0.310 0.000 1.010 566 F HN 0.382 nan 8.300 nan 0.000 0.485 567 A N 1.051 122.919 122.820 -1.587 0.000 2.119 567 A HA 0.080 4.400 4.320 -0.000 0.000 0.217 567 A C 2.059 179.326 177.584 -0.528 0.000 1.153 567 A CA 1.524 52.986 52.037 -0.957 0.000 0.692 567 A CB -1.133 17.438 19.000 -0.715 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 -0.358 0.000 4.456 568 I HA 0.157 4.327 4.170 -0.000 0.000 0.329 568 I C 1.721 177.639 176.117 -0.332 0.000 1.313 568 I CA 0.506 61.641 61.300 -0.275 0.000 1.205 568 I CB -0.030 37.944 38.000 -0.043 0.000 1.179 568 I HN 0.155 nan 8.210 nan 0.000 0.419 569 K N 2.191 122.408 120.400 -0.305 0.000 2.113 569 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 569 K C 0.631 177.077 176.600 -0.257 0.000 1.047 569 K CA 2.506 58.649 56.287 -0.241 0.000 0.928 569 K CB -0.690 31.719 32.500 -0.153 0.000 0.716 569 K HN 0.502 nan 8.250 nan 0.000 0.446 570 N N 0.229 118.691 118.700 -0.396 0.000 2.177 570 N HA 0.143 4.883 4.740 -0.000 0.000 0.218 570 N C -0.835 174.535 175.510 -0.234 0.000 1.182 570 N CA -0.512 52.389 53.050 -0.249 0.000 0.882 570 N CB 0.609 39.048 38.487 -0.080 0.000 1.052 570 N HN 0.035 nan 8.380 nan 0.000 0.519 571 L N 1.512 122.490 121.223 -0.408 0.000 2.490 571 L HA 0.199 4.539 4.340 -0.000 0.000 0.274 571 L C -0.426 176.392 176.870 -0.088 0.000 1.201 571 L CA -0.154 54.572 54.840 -0.189 0.000 0.869 571 L CB 0.469 42.375 42.059 -0.256 0.000 1.123 571 L HN 0.071 nan 8.230 nan 0.000 0.484 572 L N 5.813 127.043 121.223 0.011 0.000 2.259 572 L HA 0.388 4.728 4.340 -0.000 0.000 0.288 572 L C -0.820 176.019 176.870 -0.051 0.000 1.051 572 L CA -0.184 54.643 54.840 -0.023 0.000 0.824 572 L CB 0.792 42.861 42.059 0.015 0.000 1.206 572 L HN 0.615 nan 8.230 nan 0.000 0.429 573 L N 5.764 126.917 121.223 -0.116 0.000 2.313 573 L HA 0.364 4.704 4.340 -0.000 0.000 0.282 573 L C -0.207 176.645 176.870 -0.029 0.000 1.092 573 L CA 0.374 55.117 54.840 -0.161 0.000 0.831 573 L CB 0.623 42.490 42.059 -0.321 0.000 1.159 573 L HN 0.539 nan 8.230 nan 0.000 0.442 574 L N 5.854 127.099 121.223 0.036 0.000 2.479 574 L HA 0.442 4.782 4.340 -0.000 0.000 0.249 574 L C -1.889 175.117 176.870 0.227 0.000 1.178 574 L CA -2.089 52.819 54.840 0.113 0.000 0.811 574 L CB 0.034 42.144 42.059 0.085 0.000 1.187 574 L HN 0.466 nan 8.230 nan 0.000 0.480 575 P HA 0.235 nan 4.420 nan 0.000 0.269 575 P C -0.154 177.236 177.300 0.150 0.000 1.209 575 P CA 0.236 63.439 63.100 0.172 0.000 0.776 575 P CB 0.703 32.456 31.700 0.088 0.000 0.876 576 G N 0.340 109.182 108.800 0.070 0.000 2.368 576 G HA2 0.221 4.181 3.960 -0.000 0.000 0.302 576 G HA3 0.221 4.181 3.960 -0.000 0.000 0.302 576 G C -1.478 173.192 174.900 -0.383 0.000 1.329 576 G CA -0.613 44.362 45.100 -0.209 0.000 0.935 576 G HN 0.377 nan 8.290 nan 0.000 0.590 577 S N -0.190 115.184 115.700 -0.542 0.000 2.451 577 S HA 0.805 5.275 4.470 -0.000 0.000 0.301 577 S C -1.232 173.017 174.600 -0.584 0.000 1.116 577 S CA -0.340 57.642 58.200 -0.364 0.000 1.093 577 S CB 0.677 63.793 63.200 -0.140 0.000 1.017 577 S HN 0.485 nan 8.310 nan 0.000 0.482 578 Y N 0.328 120.636 120.300 0.014 0.000 2.536 578 Y HA 0.431 4.981 4.550 -0.000 0.000 0.347 578 Y C 0.563 176.504 175.900 0.068 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 0.003 0.000 1.259 578 Y HN 0.320 nan 8.280 nan 0.000 0.468 579 T N 2.723 117.435 114.554 0.264 0.000 2.738 579 T HA 0.192 4.542 4.350 -0.000 0.000 0.298 579 T C -1.592 173.323 174.700 0.359 0.000 0.962 579 T CA -0.225 62.020 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 0.392 nan 8.240 nan 0.000 0.474 580 Y N 3.598 124.039 120.300 0.235 0.000 2.328 580 Y HA 0.514 5.064 4.550 -0.000 0.000 0.333 580 Y C -0.195 175.962 175.900 0.428 0.000 0.958 580 Y CA -1.753 56.533 58.100 0.311 0.000 1.167 580 Y CB 0.874 39.486 38.460 0.253 0.000 1.151 580 Y HN 0.630 nan 8.280 nan 0.000 0.470 581 E N 6.096 126.461 120.200 0.275 0.000 2.314 581 E HA 0.335 4.685 4.350 -0.000 0.000 0.272 581 E C -1.925 174.728 176.600 0.090 0.000 0.884 581 E CA -0.542 55.940 56.400 0.137 0.000 0.753 581 E CB 1.673 31.399 29.700 0.043 0.000 1.213 581 E HN 0.694 nan 8.360 nan 0.000 0.432 582 W N 2.581 123.748 121.300 -0.222 0.000 3.118 582 W HA 0.382 5.042 4.660 -0.000 0.000 0.328 582 W C -1.150 175.118 176.519 -0.418 0.000 1.239 582 W CA -0.632 56.468 57.345 -0.409 0.000 1.176 582 W CB 2.227 31.284 29.460 -0.671 0.000 1.433 582 W HN 0.529 nan 8.180 nan 0.000 0.562 583 N N 2.166 120.610 118.700 -0.426 0.000 2.399 583 N HA 0.485 5.225 4.740 -0.000 0.000 0.295 583 N C -1.539 173.851 175.510 -0.199 0.000 1.048 583 N CA -0.251 52.691 53.050 -0.179 0.000 0.886 583 N CB 1.683 40.031 38.487 -0.231 0.000 1.185 583 N HN 0.036 nan 8.380 nan 0.000 0.487 584 F N 0.635 120.749 119.950 0.274 0.000 2.520 584 F HA 0.459 4.986 4.527 -0.000 0.000 0.322 584 F C 1.025 177.028 175.800 0.339 0.000 1.103 584 F CA -0.879 57.230 58.000 0.182 0.000 0.926 584 F CB 1.337 40.252 39.000 -0.141 0.000 1.154 584 F HN 0.086 nan 8.300 nan 0.000 0.453 585 R N 1.455 122.134 120.500 0.299 0.000 2.582 585 R HA 0.300 4.640 4.340 -0.000 0.000 0.271 585 R C 0.623 177.206 176.300 0.472 0.000 1.078 585 R CA -0.204 56.048 56.100 0.253 0.000 1.127 585 R CB 0.858 31.123 30.300 -0.058 0.000 1.038 585 R HN 0.713 nan 8.270 nan 0.000 0.500 586 K N 0.306 120.963 120.400 0.428 0.000 2.450 586 K HA 0.012 4.332 4.320 -0.000 0.000 0.206 586 K C -0.473 176.276 176.600 0.247 0.000 1.148 586 K CA -0.080 56.410 56.287 0.339 0.000 1.014 586 K CB 0.602 33.290 32.500 0.312 0.000 0.966 586 K HN 0.484 nan 8.250 nan 0.000 0.566 587 D N 1.993 122.572 120.400 0.297 0.000 2.389 587 D HA -0.053 4.587 4.640 -0.000 0.000 0.263 587 D C 1.387 177.791 176.300 0.173 0.000 1.255 587 D CA -0.036 54.129 54.000 0.275 0.000 0.914 587 D CB 1.193 42.172 40.800 0.298 0.000 1.116 587 D HN -0.033 nan 8.370 nan 0.000 0.502 588 V N 2.493 122.479 119.914 0.120 0.000 2.469 588 V HA -0.239 3.881 4.120 -0.000 0.000 0.251 588 V C 1.694 177.815 176.094 0.045 0.000 1.064 588 V CA 1.432 63.759 62.300 0.046 0.000 1.066 588 V CB -0.624 31.195 31.823 -0.007 0.000 0.667 588 V HN 0.388 nan 8.190 nan 0.000 0.461 589 N N -0.240 118.507 118.700 0.079 0.000 2.453 589 N HA 0.016 4.756 4.740 -0.000 0.000 0.183 589 N C 1.567 177.195 175.510 0.195 0.000 1.041 589 N CA 1.547 54.641 53.050 0.074 0.000 0.900 589 N CB -0.154 38.353 38.487 0.033 0.000 0.961 589 N HN 0.488 nan 8.380 nan 0.000 0.443 590 M N -0.763 118.949 119.600 0.188 0.000 2.557 590 M HA 0.096 4.576 4.480 -0.000 0.000 0.262 590 M C 2.088 178.480 176.300 0.153 0.000 1.168 590 M CA 0.617 56.023 55.300 0.177 0.000 1.194 590 M CB -0.832 31.834 32.600 0.109 0.000 1.311 590 M HN 0.018 nan 8.290 nan 0.000 0.489 591 V N -0.728 119.279 119.914 0.155 0.000 2.871 591 V HA 0.135 4.255 4.120 -0.000 0.000 0.256 591 V C 0.952 177.134 176.094 0.146 0.000 1.082 591 V CA 0.539 62.967 62.300 0.213 0.000 1.105 591 V CB -0.353 31.644 31.823 0.291 0.000 0.713 591 V HN 0.203 nan 8.190 nan 0.000 0.473 592 L N 0.923 122.156 121.223 0.018 0.000 2.322 592 L HA 0.639 4.979 4.340 -0.000 0.000 0.269 592 L C -0.387 176.458 176.870 -0.041 0.000 1.012 592 L CA -0.463 54.321 54.840 -0.093 0.000 0.815 592 L CB 1.745 43.683 42.059 -0.202 0.000 1.295 592 L HN 0.276 nan 8.230 nan 0.000 0.438 593 Q N 1.120 120.886 119.800 -0.056 0.000 2.331 593 Q HA 0.558 4.898 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 -0.560 55.224 55.803 -0.033 0.000 0.806 593 Q CB 2.521 31.268 28.738 0.015 0.000 1.312 593 Q HN 0.775 nan 8.270 nan 0.000 0.431 594 S N 0.792 116.471 115.700 -0.035 0.000 2.600 594 S HA 0.411 4.881 4.470 -0.000 0.000 0.300 594 S C 0.560 175.199 174.600 0.065 0.000 1.087 594 S CA -0.075 58.137 58.200 0.020 0.000 0.965 594 S CB 1.684 64.873 63.200 -0.018 0.000 1.089 594 S HN 0.733 nan 8.310 nan 0.000 0.496 595 S N 0.853 116.641 115.700 0.147 0.000 2.436 595 S HA 0.005 4.475 4.470 -0.000 0.000 0.228 595 S C 1.374 176.079 174.600 0.176 0.000 1.014 595 S CA 0.269 58.589 58.200 0.199 0.000 0.950 595 S CB -0.545 62.843 63.200 0.313 0.000 0.784 595 S HN 0.490 nan 8.310 nan 0.000 0.504 596 L N 1.558 122.851 121.223 0.116 0.000 2.375 596 L HA 0.373 4.713 4.340 -0.000 0.000 0.215 596 L C 1.948 178.848 176.870 0.049 0.000 1.108 596 L CA 1.138 56.028 54.840 0.084 0.000 0.830 596 L CB -1.469 40.629 42.059 0.065 0.000 0.959 596 L HN 0.597 nan 8.230 nan 0.000 0.457 597 G N 0.361 109.144 108.800 -0.028 0.000 2.160 597 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.251 597 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.251 597 G C 0.459 175.263 174.900 -0.159 0.000 1.008 597 G CA 0.497 45.473 45.100 -0.208 0.000 0.724 597 G HN 0.557 nan 8.290 nan 0.000 0.514 598 N N 0.330 118.996 118.700 -0.056 0.000 2.260 598 N HA 0.223 4.963 4.740 -0.000 0.000 0.230 598 N C -0.391 175.077 175.510 -0.069 0.000 1.323 598 N CA 0.075 53.114 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 0.279 120.656 120.400 -0.039 0.000 2.402 599 D HA 0.118 4.758 4.640 -0.000 0.000 0.235 599 D C 1.110 177.385 176.300 -0.041 0.000 1.226 599 D CA -0.302 53.664 54.000 -0.055 0.000 0.918 599 D CB -0.089 40.691 40.800 -0.033 0.000 1.043 599 D HN 0.478 nan 8.370 nan 0.000 0.506 600 L N 3.571 124.758 121.223 -0.060 0.000 2.265 600 L HA -0.148 4.192 4.340 -0.000 0.000 0.215 600 L C 2.422 179.281 176.870 -0.018 0.000 1.117 600 L CA 0.679 55.491 54.840 -0.047 0.000 0.782 600 L CB -0.227 41.794 42.059 -0.065 0.000 0.914 600 L HN 0.343 nan 8.230 nan 0.000 0.441 601 R N -0.495 120.005 120.500 0.001 0.000 2.066 601 R HA -0.078 4.262 4.340 -0.000 0.000 0.232 601 R C 2.199 178.513 176.300 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 0.179 nan 8.270 nan 0.000 0.432 602 V N 2.235 122.158 119.914 0.015 0.000 2.453 602 V HA -0.143 3.977 4.120 -0.000 0.000 0.247 602 V C 0.943 177.042 176.094 0.009 0.000 1.048 602 V CA 1.683 63.992 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 0.250 120.650 120.400 -0.000 0.000 2.332 603 D HA 0.164 4.804 4.640 -0.000 0.000 0.244 603 D C 1.689 177.972 176.300 -0.027 0.000 1.136 603 D CA 0.948 54.941 54.000 -0.011 0.000 0.884 603 D CB -0.102 40.692 40.800 -0.010 0.000 0.906 603 D HN 0.492 nan 8.370 nan 0.000 0.520 604 G N 0.275 109.066 108.800 -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 45.366 45.100 -0.013 0.000 0.676 604 G HN 0.620 nan 8.290 nan 0.000 0.528 605 A N -0.531 122.265 122.820 -0.041 0.000 2.407 605 A HA 0.766 5.086 4.320 -0.000 0.000 0.248 605 A C 0.637 178.197 177.584 -0.039 0.000 1.082 605 A CA 1.082 53.081 52.037 -0.063 0.000 0.785 605 A CB 0.965 19.909 19.000 -0.092 0.000 1.020 605 A HN 1.476 nan 8.150 nan 0.000 0.489 606 S N 0.451 116.125 115.700 -0.043 0.000 2.564 606 S HA 0.744 5.214 4.470 -0.000 0.000 0.274 606 S C -1.176 173.401 174.600 -0.038 0.000 1.124 606 S CA -0.481 57.706 58.200 -0.022 0.000 0.869 606 S CB 0.938 64.143 63.200 0.008 0.000 1.105 606 S HN 0.889 nan 8.310 nan 0.000 0.472 607 I N 3.320 123.859 120.570 -0.051 0.000 2.644 607 I HA 0.528 4.698 4.170 -0.000 0.000 0.291 607 I C -1.576 174.441 176.117 -0.168 0.000 1.180 607 I CA -0.507 60.743 61.300 -0.085 0.000 1.040 607 I CB 1.719 39.628 38.000 -0.152 0.000 1.255 607 I HN 0.740 nan 8.210 nan 0.000 0.422 608 K N 6.687 127.002 120.400 -0.140 0.000 2.443 608 K HA 0.470 4.790 4.320 -0.000 0.000 0.252 608 K C -2.112 174.368 176.600 -0.200 0.000 0.933 608 K CA -0.492 55.691 56.287 -0.175 0.000 0.792 608 K CB 1.440 33.908 32.500 -0.052 0.000 1.185 608 K HN 0.326 nan 8.250 nan 0.000 0.425 609 F N 3.322 123.292 119.950 0.035 0.000 2.404 609 F HA 0.218 4.745 4.527 -0.000 0.000 0.358 609 F C 0.857 176.575 175.800 -0.135 0.000 1.120 609 F CA -0.615 57.301 58.000 -0.141 0.000 1.144 609 F CB 1.309 40.029 39.000 -0.465 0.000 1.133 609 F HN 0.662 nan 8.300 nan 0.000 0.495 610 D N 0.583 120.986 120.400 0.004 0.000 2.262 610 D HA 0.014 4.654 4.640 -0.000 0.000 0.212 610 D C 0.496 176.785 176.300 -0.017 0.000 0.964 610 D CA 0.977 54.966 54.000 -0.019 0.000 0.875 610 D CB 0.429 41.178 40.800 -0.086 0.000 0.996 610 D HN 0.427 nan 8.370 nan 0.000 0.497 611 S N -0.423 115.230 115.700 -0.078 0.000 2.542 611 S HA 0.540 5.010 4.470 -0.000 0.000 0.276 611 S C -1.243 173.293 174.600 -0.108 0.000 1.148 611 S CA -1.009 57.156 58.200 -0.059 0.000 0.886 611 S CB 1.680 64.860 63.200 -0.033 0.000 1.109 611 S HN 0.087 nan 8.310 nan 0.000 0.458 612 I N 2.225 122.760 120.570 -0.059 0.000 2.499 612 I HA 0.741 4.911 4.170 -0.000 0.000 0.288 612 I C -1.137 175.124 176.117 0.240 0.000 1.048 612 I CA -0.258 61.026 61.300 -0.027 0.000 1.062 612 I CB 1.075 38.907 38.000 -0.280 0.000 1.238 612 I HN 0.974 nan 8.210 nan 0.000 0.426 613 C N 5.919 125.377 119.300 0.263 0.000 2.630 613 C HA 0.722 5.182 4.460 -0.000 0.000 0.346 613 C C -0.679 174.385 174.990 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 29.562 27.740 0.164 0.000 2.279 613 C HN 0.688 nan 8.230 nan 0.000 0.498 614 L N 1.839 122.972 121.223 -0.149 0.000 2.349 614 L HA 0.607 4.947 4.340 -0.000 0.000 0.278 614 L C -1.480 175.243 176.870 -0.246 0.000 0.996 614 L CA -0.032 54.608 54.840 -0.333 0.000 0.825 614 L CB 0.311 41.900 42.059 -0.783 0.000 1.243 614 L HN 0.641 nan 8.230 nan 0.000 0.412 615 Y N 3.611 123.674 120.300 -0.394 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 -0.225 57.640 58.100 -0.392 0.000 1.126 615 Y CB 2.271 40.258 38.460 -0.788 0.000 1.217 615 Y HN 0.777 nan 8.280 nan 0.000 0.462 616 A N 1.517 124.402 122.820 0.110 0.000 2.465 616 A HA 0.675 4.995 4.320 -0.000 0.000 0.292 616 A C -1.104 176.566 177.584 0.144 0.000 1.041 616 A CA -0.706 51.373 52.037 0.070 0.000 0.718 616 A CB 0.910 19.978 19.000 0.113 0.000 1.266 616 A HN 0.589 nan 8.150 nan 0.000 0.403 617 T N 2.067 116.640 114.554 0.032 0.000 2.824 617 T HA 0.706 5.056 4.350 -0.000 0.000 0.280 617 T C -0.981 173.734 174.700 0.025 0.000 0.995 617 T CA 0.108 62.296 62.100 0.147 0.000 1.009 617 T CB 0.338 69.304 68.868 0.163 0.000 0.955 617 T HN 0.333 nan 8.240 nan 0.000 0.452 618 F N 1.636 121.660 119.950 0.123 0.000 2.507 618 F HA 0.493 5.020 4.527 -0.000 0.000 0.325 618 F C -0.115 175.781 175.800 0.160 0.000 1.116 618 F CA -1.832 56.254 58.000 0.144 0.000 0.930 618 F CB 1.028 40.105 39.000 0.128 0.000 1.146 618 F HN 0.522 nan 8.300 nan 0.000 0.447 619 F N 6.153 126.238 119.950 0.224 0.000 2.543 619 F HA 0.291 4.818 4.527 -0.000 0.000 0.375 619 F C -1.658 174.250 175.800 0.179 0.000 1.075 619 F CA -2.124 55.971 58.000 0.158 0.000 1.225 619 F CB 0.741 39.807 39.000 0.111 0.000 1.099 619 F HN 0.216 nan 8.300 nan 0.000 0.561 620 P HA -0.001 nan 4.420 nan 0.000 0.228 620 P C -0.055 177.310 177.300 0.108 0.000 1.748 620 P CA 0.023 63.122 63.100 -0.002 0.000 0.909 620 P CB -0.306 31.324 31.700 -0.117 0.000 1.882 621 M N 1.143 120.996 119.600 0.422 0.000 2.250 621 M HA 0.191 4.671 4.480 -0.000 0.000 0.337 621 M C 0.297 176.798 176.300 0.335 0.000 1.161 621 M CA -0.059 55.543 55.300 0.503 0.000 1.088 621 M CB 0.556 33.436 32.600 0.466 0.000 1.639 621 M HN 0.150 nan 8.290 nan 0.000 0.447 622 A N 4.267 127.249 122.820 0.270 0.000 2.540 622 A HA 0.011 4.331 4.320 -0.000 0.000 0.239 622 A C 0.651 178.407 177.584 0.287 0.000 1.061 622 A CA 0.189 52.349 52.037 0.204 0.000 0.758 622 A CB -0.246 18.846 19.000 0.155 0.000 0.991 622 A HN 1.104 nan 8.150 nan 0.000 0.502 623 H N 2.001 121.121 119.070 0.082 0.000 2.352 623 H HA -0.184 4.372 4.556 -0.000 0.000 0.299 623 H C 1.890 177.256 175.328 0.064 0.000 1.097 623 H CA 1.423 57.513 56.048 0.069 0.000 1.311 623 H CB 0.157 29.950 29.762 0.052 0.000 1.377 623 H HN 0.911 nan 8.280 nan 0.000 0.504 624 N N 0.850 119.664 118.700 0.190 0.000 2.120 624 N HA -0.125 4.615 4.740 -0.000 0.000 0.188 624 N C 1.703 177.276 175.510 0.105 0.000 1.024 624 N CA 1.750 54.873 53.050 0.122 0.000 0.852 624 N CB -1.049 37.496 38.487 0.097 0.000 1.003 624 N HN 0.206 nan 8.380 nan 0.000 0.424 625 T N 1.421 116.046 114.554 0.118 0.000 2.674 625 T HA 0.006 4.356 4.350 -0.000 0.000 0.265 625 T C 2.198 176.950 174.700 0.086 0.000 1.039 625 T CA 1.997 64.156 62.100 0.098 0.000 1.150 625 T CB -0.680 68.254 68.868 0.110 0.000 0.864 625 T HN 0.514 nan 8.240 nan 0.000 0.427 626 A N 1.534 124.421 122.820 0.112 0.000 1.892 626 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 626 A C 2.602 180.221 177.584 0.058 0.000 1.188 626 A CA 2.519 54.610 52.037 0.090 0.000 0.631 626 A CB -1.240 17.825 19.000 0.107 0.000 0.822 626 A HN 0.525 nan 8.150 nan 0.000 0.447 627 S N -1.234 114.500 115.700 0.056 0.000 2.370 627 S HA -0.167 4.303 4.470 -0.000 0.000 0.226 627 S C 1.998 176.621 174.600 0.037 0.000 1.033 627 S CA 2.340 60.564 58.200 0.039 0.000 1.011 627 S CB -0.804 62.422 63.200 0.043 0.000 0.852 627 S HN 0.561 nan 8.310 nan 0.000 0.457 628 T N 2.339 116.919 114.554 0.043 0.000 2.777 628 T HA 0.021 4.371 4.350 -0.000 0.000 0.266 628 T C 1.692 176.408 174.700 0.026 0.000 1.040 628 T CA 1.368 63.489 62.100 0.035 0.000 1.141 628 T CB -0.519 68.372 68.868 0.039 0.000 0.868 628 T HN 0.403 nan 8.240 nan 0.000 0.444 629 L N 1.325 122.564 121.223 0.027 0.000 2.083 629 L HA -0.014 4.326 4.340 -0.000 0.000 0.209 629 L C 2.389 179.267 176.870 0.014 0.000 1.083 629 L CA 1.858 56.708 54.840 0.016 0.000 0.752 629 L CB -0.489 41.578 42.059 0.013 0.000 0.899 629 L HN 0.275 nan 8.230 nan 0.000 0.433 630 E N -0.281 119.931 120.200 0.020 0.000 2.031 630 E HA -0.269 4.081 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 1.262 57.672 56.400 0.017 0.000 0.800 630 E CB -0.272 29.443 29.700 0.025 0.000 0.752 630 E HN 0.609 nan 8.360 nan 0.000 0.447 631 A N 1.098 123.923 122.820 0.009 0.000 1.903 631 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 631 A C 2.263 179.844 177.584 -0.004 0.000 1.191 631 A CA 2.254 54.293 52.037 0.003 0.000 0.638 631 A CB -0.664 18.343 19.000 0.012 0.000 0.823 631 A HN 0.360 nan 8.150 nan 0.000 0.451 632 M N -0.800 118.800 119.600 0.000 0.000 2.086 632 M HA -0.078 4.402 4.480 -0.000 0.000 0.261 632 M C 1.936 178.231 176.300 -0.009 0.000 1.067 632 M CA 1.362 56.661 55.300 -0.002 0.000 1.116 632 M CB -0.470 32.130 32.600 0.000 0.000 1.348 632 M HN 0.340 nan 8.290 nan 0.000 0.407 633 L N -0.520 120.696 121.223 -0.011 0.000 2.549 633 L HA -0.122 4.218 4.340 -0.000 0.000 0.229 633 L C 2.264 179.111 176.870 -0.039 0.000 1.158 633 L CA 0.572 55.401 54.840 -0.017 0.000 0.842 633 L CB -0.550 41.503 42.059 -0.010 0.000 0.952 633 L HN 0.284 nan 8.230 nan 0.000 0.452 634 R N -0.337 120.133 120.500 -0.052 0.000 2.276 634 R HA 0.068 4.408 4.340 -0.000 0.000 0.196 634 R C 0.100 176.339 176.300 -0.101 0.000 0.961 634 R CA 0.030 56.065 56.100 -0.108 0.000 1.024 634 R CB -0.018 30.216 30.300 -0.111 0.000 0.940 634 R HN 0.378 nan 8.270 nan 0.000 0.480 635 N N 1.702 120.386 118.700 -0.028 0.000 2.499 635 N HA -0.022 4.718 4.740 -0.000 0.000 0.281 635 N C 0.222 175.781 175.510 0.083 0.000 1.098 635 N CA 0.090 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 -0.457 120.046 120.400 0.171 0.000 2.182 636 D HA -0.211 4.429 4.640 -0.000 0.000 0.201 636 D C 1.623 177.960 176.300 0.063 0.000 0.986 636 D CA 1.470 55.576 54.000 0.176 0.000 0.847 636 D CB -0.296 40.514 40.800 0.016 0.000 0.942 636 D HN 0.603 nan 8.370 nan 0.000 0.467 637 T N -1.209 113.364 114.554 0.032 0.000 2.897 637 T HA -0.155 4.195 4.350 -0.000 0.000 0.271 637 T C 1.081 175.782 174.700 0.001 0.000 1.084 637 T CA 0.930 63.034 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 1.849 120.555 118.700 0.011 0.000 2.320 638 N HA 0.201 4.941 4.740 -0.000 0.000 0.237 638 N C -0.946 174.563 175.510 -0.001 0.000 1.129 638 N CA -0.209 52.839 53.050 -0.003 0.000 0.854 638 N CB 0.158 38.641 38.487 -0.006 0.000 1.083 638 N HN 0.480 nan 8.380 nan 0.000 0.504 639 D N 1.309 121.719 120.400 0.017 0.000 2.424 639 D HA 0.060 4.700 4.640 -0.000 0.000 0.244 639 D C 0.658 176.930 176.300 -0.045 0.000 1.134 639 D CA 0.392 54.408 54.000 0.027 0.000 0.881 639 D CB 1.056 41.894 40.800 0.064 0.000 1.191 639 D HN 0.125 nan 8.370 nan 0.000 0.445 640 Q N 0.429 120.196 119.800 -0.055 0.000 2.368 640 Q HA 0.459 4.799 4.340 -0.000 0.000 0.237 640 Q C -0.214 175.603 176.000 -0.305 0.000 0.987 640 Q CA -0.256 55.436 55.803 -0.186 0.000 0.896 640 Q CB 1.042 29.741 28.738 -0.065 0.000 1.241 640 Q HN 0.505 nan 8.270 nan 0.000 0.485 641 S N 0.508 115.792 115.700 -0.694 0.000 2.533 641 S HA 0.773 5.243 4.470 -0.000 0.000 0.271 641 S C -1.374 172.673 174.600 -0.922 0.000 1.143 641 S CA -0.851 57.015 58.200 -0.556 0.000 0.891 641 S CB 0.849 63.907 63.200 -0.237 0.000 1.105 641 S HN 0.415 nan 8.310 nan 0.000 0.468 642 F N 1.408 121.392 119.950 0.057 0.000 2.626 642 F HA 0.648 5.175 4.527 -0.000 0.000 0.311 642 F C -0.035 175.915 175.800 0.251 0.000 1.088 642 F CA -0.765 57.316 58.000 0.136 0.000 0.949 642 F CB 2.018 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 -0.222 118.702 118.700 0.373 0.000 2.229 643 N HA 0.289 5.029 4.740 -0.000 0.000 0.298 643 N C -2.071 173.301 175.510 -0.231 0.000 1.114 643 N CA -0.632 52.449 53.050 0.051 0.000 0.776 643 N CB 2.570 41.066 38.487 0.016 0.000 1.501 643 N HN 0.651 nan 8.380 nan 0.000 0.474 644 D N 0.360 120.217 120.400 -0.905 0.000 2.389 644 D HA 0.006 4.646 4.640 -0.000 0.000 0.247 644 D C 0.916 177.044 176.300 -0.286 0.000 1.128 644 D CA -0.194 53.353 54.000 -0.755 0.000 0.884 644 D CB 0.619 40.813 40.800 -1.011 0.000 1.194 644 D HN 0.512 nan 8.370 nan 0.000 0.441 645 Y N 3.551 123.734 120.300 -0.195 0.000 2.128 645 Y HA -0.173 4.377 4.550 -0.000 0.000 0.284 645 Y C 1.695 177.497 175.900 -0.164 0.000 1.154 645 Y CA 1.427 59.443 58.100 -0.140 0.000 1.149 645 Y CB -0.190 38.215 38.460 -0.091 0.000 0.976 645 Y HN 0.529 nan 8.280 nan 0.000 0.505 646 L N 0.356 121.531 121.223 -0.079 0.000 2.046 646 L HA -0.099 4.241 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 1.846 56.600 54.840 -0.142 0.000 0.747 646 L CB -0.859 41.169 42.059 -0.053 0.000 0.896 646 L HN 0.220 nan 8.230 nan 0.000 0.432 647 S N -0.290 115.243 115.700 -0.277 0.000 3.436 647 S HA 0.011 4.481 4.470 -0.000 0.000 0.393 647 S C -0.009 174.453 174.600 -0.230 0.000 0.914 647 S CA 0.474 58.494 58.200 -0.301 0.000 1.317 647 S CB -1.455 61.496 63.200 -0.414 0.000 0.920 647 S HN 0.947 nan 8.310 nan 0.000 0.564 648 A N 0.511 123.247 122.820 -0.140 0.000 2.608 648 A HA 0.843 5.163 4.320 -0.000 0.000 0.292 648 A C -0.554 177.017 177.584 -0.021 0.000 1.066 648 A CA -0.056 51.930 52.037 -0.085 0.000 0.676 648 A CB 0.883 19.829 19.000 -0.091 0.000 1.277 648 A HN 1.543 nan 8.150 nan 0.000 0.413 649 A N 1.671 124.471 122.820 -0.033 0.000 2.260 649 A HA 0.618 4.938 4.320 -0.000 0.000 0.308 649 A C -0.280 177.361 177.584 0.096 0.000 1.254 649 A CA -0.605 51.410 52.037 -0.037 0.000 0.874 649 A CB -0.053 18.754 19.000 -0.321 0.000 1.153 649 A HN 0.672 nan 8.150 nan 0.000 0.527 650 N N 3.538 122.345 118.700 0.177 0.000 2.426 650 N HA 0.490 5.230 4.740 -0.000 0.000 0.275 650 N C -0.819 174.868 175.510 0.295 0.000 1.019 650 N CA -0.151 53.103 53.050 0.339 0.000 0.941 650 N CB 1.443 40.205 38.487 0.457 0.000 1.123 650 N HN 0.594 nan 8.380 nan 0.000 0.486 651 M N 2.330 122.151 119.600 0.370 0.000 2.530 651 M HA 0.513 4.993 4.480 -0.000 0.000 0.307 651 M C -0.895 175.458 176.300 0.088 0.000 1.161 651 M CA -0.633 54.755 55.300 0.148 0.000 0.903 651 M CB 2.125 34.820 32.600 0.158 0.000 1.711 651 M HN 0.226 nan 8.290 nan 0.000 0.451 652 L N 2.795 123.865 121.223 -0.255 0.000 2.381 652 L HA 0.578 4.918 4.340 -0.000 0.000 0.274 652 L C -1.669 174.946 176.870 -0.424 0.000 0.988 652 L CA -0.684 54.035 54.840 -0.201 0.000 0.824 652 L CB 1.576 43.516 42.059 -0.199 0.000 1.263 652 L HN 0.582 nan 8.230 nan 0.000 0.410 653 Y N 2.936 123.273 120.300 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 -2.919 55.206 58.100 0.042 0.000 1.078 653 Y CB 1.480 39.972 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 -0.530 176.808 177.300 0.063 0.000 1.216 654 P CA 0.114 63.255 63.100 0.069 0.000 0.776 654 P CB 1.100 32.825 31.700 0.042 0.000 0.881 655 I N 4.307 124.893 120.570 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 -2.715 58.587 61.300 0.004 0.000 1.135 655 I CB 1.656 39.640 38.000 -0.026 0.000 1.241 655 I HN 0.077 nan 8.210 nan 0.000 0.469 656 P HA 0.013 nan 4.420 nan 0.000 0.267 656 P C -0.000 177.295 177.300 -0.008 0.000 1.200 656 P CA -0.194 62.904 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 2.870 125.686 122.820 -0.008 0.000 2.567 657 A HA -0.026 4.294 4.320 -0.000 0.000 0.240 657 A C 0.932 178.513 177.584 -0.005 0.000 1.053 657 A CA 0.804 52.837 52.037 -0.006 0.000 0.755 657 A CB -1.488 17.510 19.000 -0.004 0.000 0.978 657 A HN 0.779 nan 8.150 nan 0.000 0.507 658 N N -0.898 117.799 118.700 -0.006 0.000 2.972 658 N HA -0.200 4.540 4.740 -0.000 0.000 0.225 658 N C 0.344 175.850 175.510 -0.007 0.000 0.883 658 N CA 0.716 53.764 53.050 -0.003 0.000 1.010 658 N CB -1.664 36.825 38.487 0.004 0.000 1.052 658 N HN 1.260 nan 8.380 nan 0.000 0.598 659 A N -0.035 122.779 122.820 -0.011 0.000 2.466 659 A HA 0.442 4.762 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 1.230 53.261 52.037 -0.010 0.000 0.774 659 A CB 0.530 19.525 19.000 -0.008 0.000 1.015 659 A HN 0.230 nan 8.150 nan 0.000 0.498 660 T N 0.241 114.786 114.554 -0.014 0.000 2.993 660 T HA 0.159 4.509 4.350 -0.000 0.000 0.260 660 T C 0.226 174.920 174.700 -0.011 0.000 0.939 660 T CA 0.058 62.146 62.100 -0.020 0.000 0.886 660 T CB -0.171 68.690 68.868 -0.013 0.000 1.209 660 T HN 0.644 nan 8.240 nan 0.000 0.518 661 N N 1.112 119.812 118.700 -0.000 0.000 2.372 661 N HA 0.529 5.269 4.740 -0.000 0.000 0.291 661 N C -1.398 174.125 175.510 0.022 0.000 1.024 661 N CA -0.247 52.810 53.050 0.012 0.000 0.873 661 N CB 1.732 40.223 38.487 0.007 0.000 1.206 661 N HN -0.117 nan 8.380 nan 0.000 0.486 662 V N 4.644 124.588 119.914 0.051 0.000 2.385 662 V HA 0.478 4.598 4.120 -0.000 0.000 0.277 662 V C -2.403 173.737 176.094 0.076 0.000 1.012 662 V CA -1.380 60.956 62.300 0.060 0.000 0.832 662 V CB 1.287 33.140 31.823 0.051 0.000 1.028 662 V HN 0.593 nan 8.190 nan 0.000 0.436 663 P HA 0.651 nan 4.420 nan 0.000 0.300 663 P C -0.791 176.488 177.300 -0.036 0.000 1.326 663 P CA -0.500 62.601 63.100 0.001 0.000 0.844 663 P CB 1.929 33.629 31.700 -0.001 0.000 0.992 664 I N -1.027 119.504 120.570 -0.065 0.000 2.608 664 I HA 0.740 4.910 4.170 -0.000 0.000 0.295 664 I C -0.867 175.235 176.117 -0.025 0.000 1.049 664 I CA -0.671 60.549 61.300 -0.134 0.000 1.063 664 I CB 2.567 40.322 38.000 -0.408 0.000 1.248 664 I HN 0.043 nan 8.210 nan 0.000 0.424 665 S N 6.299 122.018 115.700 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 0.128 0.000 1.098 665 S CA -0.674 57.569 58.200 0.073 0.000 0.999 665 S CB 1.377 64.614 63.200 0.061 0.000 1.034 665 S HN 0.509 nan 8.310 nan 0.000 0.483 666 I N 5.332 125.989 120.570 0.144 0.000 2.411 666 I HA 0.343 4.513 4.170 -0.000 0.000 0.284 666 I C -2.389 173.807 176.117 0.132 0.000 1.012 666 I CA -2.490 58.906 61.300 0.160 0.000 1.119 666 I CB 1.486 39.633 38.000 0.244 0.000 1.261 666 I HN 0.355 nan 8.210 nan 0.000 0.448 667 P HA -0.027 nan 4.420 nan 0.000 0.266 667 P C 0.263 177.602 177.300 0.064 0.000 1.195 667 P CA 0.074 63.209 63.100 0.058 0.000 0.768 667 P CB 0.503 32.215 31.700 0.021 0.000 0.838 668 S N 3.232 118.988 115.700 0.094 0.000 2.810 668 S HA -0.022 4.448 4.470 -0.000 0.000 0.329 668 S C 0.360 174.982 174.600 0.037 0.000 1.231 668 S CA 0.289 58.566 58.200 0.128 0.000 1.042 668 S CB -0.407 62.845 63.200 0.087 0.000 0.756 668 S HN 0.738 nan 8.310 nan 0.000 0.504 669 R N 3.209 123.740 120.500 0.053 0.000 2.829 669 R HA 0.434 4.774 4.340 -0.000 0.000 0.267 669 R C -1.093 175.080 176.300 -0.211 0.000 1.051 669 R CA -1.119 54.858 56.100 -0.204 0.000 0.927 669 R CB 0.377 30.351 30.300 -0.544 0.000 1.292 669 R HN 0.579 nan 8.270 nan 0.000 0.445 670 N N -0.140 118.340 118.700 -0.367 0.000 2.499 670 N HA 0.111 4.851 4.740 -0.000 0.000 0.281 670 N C -0.786 174.448 175.510 -0.461 0.000 1.098 670 N CA -0.237 52.686 53.050 -0.212 0.000 0.979 670 N CB 0.653 39.069 38.487 -0.118 0.000 1.121 670 N HN 0.595 nan 8.380 nan 0.000 0.466 671 W N 1.855 123.191 121.300 0.061 0.000 2.870 671 W HA 0.416 5.076 4.660 -0.000 0.000 0.358 671 W C 0.747 177.339 176.519 0.121 0.000 1.043 671 W CA -0.388 56.968 57.345 0.017 0.000 1.692 671 W CB -0.027 29.397 29.460 -0.060 0.000 1.100 671 W HN 0.510 nan 8.180 nan 0.000 0.557 672 A N 1.080 124.070 122.820 0.284 0.000 2.546 672 A HA 0.390 4.710 4.320 -0.000 0.000 0.243 672 A C 1.505 179.233 177.584 0.240 0.000 1.063 672 A CA 1.242 53.430 52.037 0.252 0.000 0.757 672 A CB -0.098 19.001 19.000 0.165 0.000 0.991 672 A HN 1.161 nan 8.150 nan 0.000 0.503 673 A N 1.535 124.510 122.820 0.257 0.000 3.384 673 A HA -0.182 4.138 4.320 -0.000 0.000 0.260 673 A C 0.384 178.208 177.584 0.400 0.000 1.168 673 A CA 0.759 52.964 52.037 0.280 0.000 1.253 673 A CB -2.606 16.495 19.000 0.168 0.000 1.122 673 A HN 2.015 nan 8.150 nan 0.000 0.934 674 F N 1.887 121.953 119.950 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 0.746 58.793 58.000 0.078 0.000 1.268 674 F CB 0.431 39.378 39.000 -0.089 0.000 1.053 674 F HN 0.282 nan 8.300 nan 0.000 0.571 675 R N 3.313 123.372 120.500 -0.736 0.000 2.195 675 R HA 0.417 4.757 4.340 -0.000 0.000 0.197 675 R C 0.771 176.561 176.300 -0.849 0.000 0.990 675 R CA 0.387 56.130 56.100 -0.595 0.000 1.048 675 R CB 0.071 30.098 30.300 -0.456 0.000 0.997 675 R HN 0.868 nan 8.270 nan 0.000 0.502 676 G N -0.153 107.635 108.800 -1.687 0.000 2.362 676 G HA2 0.033 3.993 3.960 -0.000 0.000 0.288 676 G HA3 0.033 3.993 3.960 -0.000 0.000 0.288 676 G C -1.850 172.526 174.900 -0.873 0.000 1.305 676 G CA -0.957 43.423 45.100 -1.200 0.000 0.910 676 G HN 0.033 nan 8.290 nan 0.000 0.518 677 W N -0.101 121.103 121.300 -0.159 0.000 2.706 677 W HA 0.747 5.407 4.660 -0.000 0.000 0.346 677 W C 0.126 176.597 176.519 -0.079 0.000 1.071 677 W CA -0.312 56.976 57.345 -0.095 0.000 1.206 677 W CB 2.444 31.892 29.460 -0.021 0.000 1.413 677 W HN 1.233 nan 8.180 nan 0.000 0.542 678 A N 2.942 125.840 122.820 0.131 0.000 2.455 678 A HA 0.921 5.241 4.320 -0.000 0.000 0.300 678 A C -1.615 175.948 177.584 -0.034 0.000 1.040 678 A CA -0.535 51.471 52.037 -0.051 0.000 0.697 678 A CB 1.489 20.368 19.000 -0.201 0.000 1.265 678 A HN 0.645 nan 8.150 nan 0.000 0.407 679 F N -0.609 119.198 119.950 -0.237 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 -0.395 0.000 1.129 679 F CA -0.389 57.406 58.000 -0.343 0.000 0.948 679 F CB 1.194 40.048 39.000 -0.244 0.000 1.315 679 F HN 0.680 nan 8.300 nan 0.000 0.447 680 T N -0.458 114.019 114.554 -0.129 0.000 2.618 680 T HA 0.633 4.983 4.350 -0.000 0.000 0.293 680 T C -1.684 173.259 174.700 0.404 0.000 1.093 680 T CA -1.192 60.886 62.100 -0.036 0.000 1.061 680 T CB 1.988 70.602 68.868 -0.424 0.000 1.498 680 T HN 0.962 nan 8.240 nan 0.000 0.494 681 R N 0.251 120.940 120.500 0.315 0.000 2.533 681 R HA 0.680 5.020 4.340 -0.000 0.000 0.288 681 R C -1.912 174.442 176.300 0.090 0.000 1.039 681 R CA -0.649 55.572 56.100 0.201 0.000 0.909 681 R CB 0.954 31.276 30.300 0.037 0.000 1.195 681 R HN 0.639 nan 8.270 nan 0.000 0.438 682 L N 2.262 123.544 121.223 0.098 0.000 2.301 682 L HA 0.611 4.951 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 -1.173 53.711 54.840 0.073 0.000 0.821 682 L CB 1.886 44.033 42.059 0.148 0.000 1.346 682 L HN 0.410 nan 8.230 nan 0.000 0.429 683 K N -0.118 120.291 120.400 0.016 0.000 2.201 683 K HA 0.279 4.599 4.320 -0.000 0.000 0.278 683 K C 0.545 177.137 176.600 -0.014 0.000 1.027 683 K CA -0.369 55.919 56.287 0.002 0.000 0.909 683 K CB 1.572 34.085 32.500 0.023 0.000 1.062 683 K HN 0.587 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 -0.225 4.125 4.350 -0.000 0.000 0.269 684 T C 2.302 176.992 174.700 -0.016 0.000 1.042 684 T CA 2.106 64.193 62.100 -0.022 0.000 1.140 684 T CB -0.134 68.722 68.868 -0.020 0.000 0.864 684 T HN 0.751 nan 8.240 nan 0.000 0.455 685 K N 1.617 121.989 120.400 -0.047 0.000 2.147 685 K HA -0.101 4.219 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 1.559 57.792 56.287 -0.090 0.000 0.936 685 K CB -0.759 31.669 32.500 -0.121 0.000 0.722 685 K HN 0.670 nan 8.250 nan 0.000 0.446 686 E N 0.227 120.264 120.200 -0.272 0.000 2.437 686 E HA 0.064 4.414 4.350 -0.000 0.000 0.189 686 E C -0.469 176.178 176.600 0.078 0.000 1.054 686 E CA 0.019 56.199 56.400 -0.367 0.000 0.874 686 E CB 0.583 30.094 29.700 -0.315 0.000 1.011 686 E HN 0.363 nan 8.360 nan 0.000 0.474 687 T N 3.463 118.067 114.554 0.083 0.000 2.977 687 T HA 0.227 4.577 4.350 -0.000 0.000 0.346 687 T C -2.484 172.129 174.700 -0.145 0.000 1.140 687 T CA -1.692 60.397 62.100 -0.019 0.000 1.040 687 T CB 1.074 69.877 68.868 -0.108 0.000 1.046 687 T HN -0.038 nan 8.240 nan 0.000 0.494 688 P HA 0.110 nan 4.420 nan 0.000 0.268 688 P C -0.007 177.030 177.300 -0.437 0.000 1.208 688 P CA -0.254 62.302 63.100 -0.906 0.000 0.777 688 P CB 0.560 31.488 31.700 -1.285 0.000 0.875 689 S N 1.469 116.969 115.700 -0.333 0.000 2.499 689 S HA 0.214 4.684 4.470 -0.000 0.000 0.275 689 S C 0.938 175.421 174.600 -0.195 0.000 1.257 689 S CA -0.638 57.434 58.200 -0.214 0.000 1.050 689 S CB -0.620 62.505 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 -0.163 0.000 2.640 690 L HA 0.297 4.637 4.340 -0.000 0.000 0.230 690 L C 2.055 178.907 176.870 -0.030 0.000 1.123 690 L CA 0.077 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 0.527 109.297 108.800 -0.051 0.000 3.340 691 G HA2 0.148 4.108 3.960 -0.000 0.000 0.240 691 G HA3 0.148 4.108 3.960 -0.000 0.000 0.240 691 G C 0.202 175.091 174.900 -0.018 0.000 1.327 691 G CA 0.623 45.707 45.100 -0.027 0.000 1.170 691 G HN 0.387 nan 8.290 nan 0.000 0.520 692 S N -3.547 112.149 115.700 -0.007 0.000 2.683 692 S HA 0.405 4.875 4.470 -0.000 0.000 0.278 692 S C 0.864 175.489 174.600 0.042 0.000 1.059 692 S CA 0.105 58.304 58.200 -0.001 0.000 0.847 692 S CB 0.760 63.941 63.200 -0.031 0.000 1.078 692 S HN 0.509 nan 8.310 nan 0.000 0.456 693 G N -0.240 108.593 108.800 0.056 0.000 2.509 693 G HA2 0.182 4.142 3.960 -0.000 0.000 0.218 693 G HA3 0.182 4.142 3.960 -0.000 0.000 0.218 693 G C -0.043 174.846 174.900 -0.018 0.000 1.124 693 G CA 1.095 46.304 45.100 0.181 0.000 0.776 693 G HN 1.024 nan 8.290 nan 0.000 0.547 694 Y N -0.422 119.644 120.300 -0.390 0.000 2.442 694 Y HA 0.433 4.983 4.550 -0.000 0.000 0.330 694 Y C -2.061 173.682 175.900 -0.262 0.000 1.100 694 Y CA -1.590 56.244 58.100 -0.443 0.000 1.034 694 Y CB 2.120 40.038 38.460 -0.904 0.000 1.285 694 Y HN -0.070 nan 8.280 nan 0.000 0.440 695 D N 8.016 127.983 120.400 -0.722 0.000 2.473 695 D HA 0.347 4.987 4.640 -0.000 0.000 0.226 695 D C -1.953 173.977 176.300 -0.616 0.000 1.089 695 D CA -2.507 51.193 54.000 -0.501 0.000 0.883 695 D CB 1.789 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 -0.138 nan 4.420 nan 0.000 0.219 696 P C 0.492 177.588 177.300 -0.341 0.000 1.146 696 P CA 0.999 63.865 63.100 -0.390 0.000 0.808 696 P CB -0.015 31.365 31.700 -0.534 0.000 0.779 697 Y N -3.165 117.129 120.300 -0.010 0.000 2.470 697 Y HA 0.186 4.736 4.550 -0.000 0.000 0.284 697 Y C 0.757 176.703 175.900 0.077 0.000 1.188 697 Y CA -0.986 57.129 58.100 0.025 0.000 1.269 697 Y CB -1.171 37.300 38.460 0.018 0.000 1.094 697 Y HN -0.103 nan 8.280 nan 0.000 0.518 698 Y N 2.442 122.731 120.300 -0.019 0.000 2.595 698 Y HA 0.283 4.833 4.550 -0.000 0.000 0.347 698 Y C 0.624 176.541 175.900 0.028 0.000 1.025 698 Y CA -1.384 56.713 58.100 -0.004 0.000 1.295 698 Y CB 0.247 38.661 38.460 -0.077 0.000 1.147 698 Y HN 0.110 nan 8.280 nan 0.000 0.515 699 T N 3.127 117.595 114.554 -0.143 0.000 3.350 699 T HA 0.301 4.651 4.350 -0.000 0.000 0.246 699 T C -1.079 173.533 174.700 -0.147 0.000 1.284 699 T CA -0.488 61.534 62.100 -0.130 0.000 1.329 699 T CB -0.783 68.071 68.868 -0.024 0.000 1.033 699 T HN 0.490 nan 8.240 nan 0.000 0.632 700 Y N 0.860 120.811 120.300 -0.581 0.000 2.519 700 Y HA 0.548 5.098 4.550 -0.000 0.000 0.336 700 Y C -0.124 175.530 175.900 -0.410 0.000 1.089 700 Y CA -0.792 57.045 58.100 -0.438 0.000 1.025 700 Y CB 2.043 40.254 38.460 -0.415 0.000 1.318 700 Y HN 0.224 nan 8.280 nan 0.000 0.452 701 S N 1.875 117.043 115.700 -0.886 0.000 2.952 701 S HA 0.472 4.942 4.470 -0.000 0.000 0.251 701 S C 0.394 174.603 174.600 -0.652 0.000 1.021 701 S CA -0.024 57.824 58.200 -0.586 0.000 1.067 701 S CB 0.086 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 2.053 110.021 108.800 -1.386 0.000 2.509 702 G HA2 0.482 4.442 3.960 -0.000 0.000 0.269 702 G HA3 0.482 4.442 3.960 -0.000 0.000 0.269 702 G C 0.072 174.963 174.900 -0.015 0.000 1.416 702 G CA -0.147 44.638 45.100 -0.526 0.000 1.052 702 G HN 0.697 nan 8.290 nan 0.000 0.542 703 S N -1.306 114.536 115.700 0.237 0.000 2.568 703 S HA 0.280 4.750 4.470 -0.000 0.000 0.282 703 S C -0.022 174.800 174.600 0.370 0.000 1.338 703 S CA -0.278 58.070 58.200 0.247 0.000 1.045 703 S CB 0.383 63.709 63.200 0.210 0.000 0.873 703 S HN 0.371 nan 8.310 nan 0.000 0.516 704 I N 4.313 125.035 120.570 0.253 0.000 2.503 704 I HA 0.290 4.460 4.170 -0.000 0.000 0.277 704 I C -1.839 174.365 176.117 0.145 0.000 1.078 704 I CA -2.357 59.106 61.300 0.272 0.000 1.184 704 I CB 1.486 39.651 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 1.566 178.872 177.300 0.009 0.000 1.154 705 P CA 1.636 64.708 63.100 -0.046 0.000 0.872 705 P CB 0.024 31.838 31.700 0.190 0.000 0.790 706 Y N 0.008 120.382 120.300 0.124 0.000 2.256 706 Y HA -0.172 4.378 4.550 -0.000 0.000 0.288 706 Y C 1.969 177.918 175.900 0.082 0.000 1.155 706 Y CA 1.560 59.730 58.100 0.117 0.000 1.203 706 Y CB -0.670 37.743 38.460 -0.079 0.000 0.980 706 Y HN -0.146 nan 8.280 nan 0.000 0.530 707 L N -0.824 120.432 121.223 0.056 0.000 2.388 707 L HA 0.067 4.407 4.340 -0.000 0.000 0.209 707 L C 1.646 178.473 176.870 -0.072 0.000 1.061 707 L CA 0.844 55.677 54.840 -0.012 0.000 0.834 707 L CB -0.219 41.908 42.059 0.115 0.000 1.029 707 L HN 0.172 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 4.724 4.640 -0.000 0.000 0.205 708 D C 1.473 177.562 176.300 -0.352 0.000 1.022 708 D CA 0.816 54.712 54.000 -0.172 0.000 0.868 708 D CB 0.328 41.063 40.800 -0.109 0.000 0.953 708 D HN 0.162 nan 8.370 nan 0.000 0.514 709 G N 0.231 108.646 108.800 -0.641 0.000 2.141 709 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.231 709 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.231 709 G C 0.673 175.060 174.900 -0.855 0.000 0.984 709 G CA 0.458 44.946 45.100 -1.019 0.000 0.660 709 G HN 0.681 nan 8.290 nan 0.000 0.525 710 T N -0.359 113.756 114.554 -0.732 0.000 3.624 710 T HA 0.541 4.891 4.350 -0.000 0.000 0.231 710 T C 0.598 175.290 174.700 -0.013 0.000 0.865 710 T CA -0.535 61.167 62.100 -0.664 0.000 0.926 710 T CB -0.656 67.593 68.868 -1.032 0.000 1.189 710 T HN 0.283 nan 8.240 nan 0.000 0.640 711 F N 2.835 122.937 119.950 0.253 0.000 2.572 711 F HA 0.281 4.808 4.527 -0.000 0.000 0.370 711 F C 1.013 177.100 175.800 0.478 0.000 1.103 711 F CA -1.075 57.094 58.000 0.283 0.000 1.286 711 F CB 0.017 39.090 39.000 0.120 0.000 1.105 711 F HN 0.512 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 0.499 5.049 4.550 -0.000 0.000 0.266 712 Y C -0.327 175.766 175.900 0.321 0.000 1.090 712 Y CA -0.419 57.913 58.100 0.387 0.000 1.258 712 Y CB -0.772 37.903 38.460 0.359 0.000 1.346 712 Y HN 0.382 nan 8.280 nan 0.000 0.578 713 L N 0.857 122.029 121.223 -0.085 0.000 3.066 713 L HA 0.335 4.675 4.340 -0.000 0.000 0.265 713 L C 0.916 177.684 176.870 -0.170 0.000 1.232 713 L CA -0.099 54.594 54.840 -0.246 0.000 1.031 713 L CB 0.113 41.967 42.059 -0.342 0.000 1.379 713 L HN 0.173 nan 8.230 nan 0.000 0.563 714 N N 0.589 119.323 118.700 0.056 0.000 2.364 714 N HA -0.156 4.584 4.740 -0.000 0.000 0.183 714 N C 1.662 177.539 175.510 0.612 0.000 1.022 714 N CA 1.040 54.243 53.050 0.254 0.000 0.883 714 N CB -0.097 38.192 38.487 -0.329 0.000 0.965 714 N HN 0.591 nan 8.380 nan 0.000 0.438 715 H N -0.693 118.587 119.070 0.349 0.000 2.556 715 H HA 0.105 4.661 4.556 -0.000 0.000 0.268 715 H C 1.076 176.444 175.328 0.067 0.000 0.996 715 H CA 1.169 57.263 56.048 0.078 0.000 1.157 715 H CB -0.482 29.107 29.762 -0.288 0.000 1.355 715 H HN 0.129 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 0.115 4.465 4.350 -0.000 0.000 0.249 716 T C 0.248 174.868 174.700 -0.133 0.000 1.096 716 T CA -0.521 61.464 62.100 -0.191 0.000 1.012 716 T CB -0.659 68.002 68.868 -0.345 0.000 0.977 716 T HN 0.023 nan 8.240 nan 0.000 0.527 717 F N 1.577 121.602 119.950 0.125 0.000 2.412 717 F HA 0.522 5.049 4.527 -0.000 0.000 0.348 717 F C 1.499 177.304 175.800 0.008 0.000 1.102 717 F CA -0.724 57.348 58.000 0.120 0.000 1.196 717 F CB 1.514 40.661 39.000 0.247 0.000 1.144 717 F HN -0.122 nan 8.300 nan 0.000 0.541 718 K N 1.567 122.045 120.400 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 0.495 56.803 56.287 0.035 0.000 0.970 718 K CB 0.477 32.988 32.500 0.019 0.000 0.939 718 K HN 0.644 nan 8.250 nan 0.000 0.472 719 K N -1.095 119.291 120.400 -0.024 0.000 2.615 719 K HA 0.462 4.782 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 -1.094 55.129 56.287 -0.106 0.000 0.882 719 K CB 2.151 34.607 32.500 -0.074 0.000 1.522 719 K HN -0.208 nan 8.250 nan 0.000 0.412 720 V N -0.204 119.584 119.914 -0.209 0.000 2.668 720 V HA 0.774 4.894 4.120 -0.000 0.000 0.304 720 V C -1.141 174.825 176.094 -0.214 0.000 1.071 720 V CA -0.750 61.300 62.300 -0.418 0.000 0.894 720 V CB 1.532 32.971 31.823 -0.639 0.000 1.008 720 V HN 0.972 nan 8.190 nan 0.000 0.425 721 A N 5.626 128.260 122.820 -0.310 0.000 2.304 721 A HA 0.923 5.243 4.320 -0.000 0.000 0.314 721 A C -0.841 176.606 177.584 -0.228 0.000 1.187 721 A CA -0.435 51.502 52.037 -0.167 0.000 0.810 721 A CB 0.684 19.605 19.000 -0.131 0.000 1.183 721 A HN 0.798 nan 8.150 nan 0.000 0.487 722 I N 2.307 122.816 120.570 -0.103 0.000 2.404 722 I HA 0.486 4.656 4.170 -0.000 0.000 0.293 722 I C -0.361 175.733 176.117 -0.038 0.000 0.992 722 I CA -0.095 61.104 61.300 -0.168 0.000 1.149 722 I CB 2.365 40.242 38.000 -0.206 0.000 1.315 722 I HN 0.623 nan 8.210 nan 0.000 0.446 723 T N 4.811 119.277 114.554 -0.147 0.000 2.928 723 T HA 0.520 4.870 4.350 -0.000 0.000 0.296 723 T C -0.672 173.946 174.700 -0.137 0.000 1.000 723 T CA -0.572 61.505 62.100 -0.038 0.000 0.989 723 T CB 1.054 69.917 68.868 -0.008 0.000 1.005 723 T HN 0.036 nan 8.240 nan 0.000 0.442 724 F N 2.000 122.004 119.950 0.089 0.000 2.422 724 F HA 0.356 4.883 4.527 -0.000 0.000 0.333 724 F C 0.854 176.722 175.800 0.112 0.000 1.095 724 F CA -0.494 57.551 58.000 0.075 0.000 1.038 724 F CB 0.871 39.926 39.000 0.091 0.000 1.156 724 F HN 0.612 nan 8.300 nan 0.000 0.483 725 D N 2.511 123.107 120.400 0.327 0.000 2.701 725 D HA -0.289 4.351 4.640 -0.000 0.000 0.235 725 D C 1.264 177.651 176.300 0.144 0.000 1.155 725 D CA 1.340 55.477 54.000 0.228 0.000 0.649 725 D CB -1.282 39.664 40.800 0.244 0.000 1.050 725 D HN 0.991 nan 8.370 nan 0.000 0.425 726 S N -2.290 113.475 115.700 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 2.953 61.197 58.200 0.072 0.000 1.224 726 S CB -1.696 61.541 63.200 0.061 0.000 1.480 726 S HN 1.047 nan 8.310 nan 0.000 0.698 727 S N -2.393 113.366 115.700 0.099 0.000 2.918 727 S HA 0.495 4.965 4.470 -0.000 0.000 0.264 727 S C 0.214 174.877 174.600 0.106 0.000 1.078 727 S CA 0.583 58.835 58.200 0.086 0.000 0.918 727 S CB 0.075 63.320 63.200 0.075 0.000 0.882 727 S HN 1.029 nan 8.310 nan 0.000 0.466 728 V N 3.286 123.294 119.914 0.157 0.000 2.455 728 V HA 0.505 4.625 4.120 -0.000 0.000 0.273 728 V C 0.271 176.510 176.094 0.241 0.000 1.045 728 V CA -0.283 62.134 62.300 0.194 0.000 0.976 728 V CB 1.005 32.968 31.823 0.232 0.000 0.993 728 V HN 0.464 nan 8.190 nan 0.000 0.475 729 S N 5.142 120.955 115.700 0.187 0.000 2.465 729 S HA 0.387 4.857 4.470 -0.000 0.000 0.279 729 S C -0.826 173.942 174.600 0.280 0.000 1.201 729 S CA -0.556 57.757 58.200 0.189 0.000 1.053 729 S CB 0.136 63.387 63.200 0.084 0.000 0.953 729 S HN 0.668 nan 8.310 nan 0.000 0.488 730 W N 7.485 128.914 121.300 0.215 0.000 2.478 730 W HA 0.492 5.152 4.660 -0.000 0.000 0.318 730 W C -2.036 174.651 176.519 0.280 0.000 1.062 730 W CA -2.197 55.337 57.345 0.315 0.000 1.210 730 W CB 1.516 31.317 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 0.251 731 P C 0.975 178.023 177.300 -0.420 0.000 1.223 731 P CA 1.057 63.480 63.100 -1.128 0.000 0.796 731 P CB 0.313 31.278 31.700 -1.224 0.000 1.068 732 G N 1.657 110.335 108.800 -0.204 0.000 2.602 732 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.306 732 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.306 732 G C 0.486 175.300 174.900 -0.143 0.000 1.301 732 G CA 0.480 45.513 45.100 -0.112 0.000 0.974 732 G HN 0.283 nan 8.290 nan 0.000 0.547 733 N N -0.066 118.578 118.700 -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 2.475 55.470 53.050 -0.092 0.000 0.812 733 N CB -0.757 37.660 38.487 -0.117 0.000 1.148 733 N HN 1.355 nan 8.380 nan 0.000 0.572 734 D N -1.820 118.529 120.400 -0.085 0.000 2.945 734 D HA -0.205 4.435 4.640 -0.000 0.000 0.225 734 D C 1.226 177.479 176.300 -0.079 0.000 1.158 734 D CA 1.154 55.110 54.000 -0.073 0.000 0.805 734 D CB -0.389 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 -0.366 120.072 120.500 -0.104 0.000 2.062 735 R HA 0.016 4.356 4.340 -0.000 0.000 0.231 735 R C 1.299 177.562 176.300 -0.062 0.000 1.136 735 R CA 0.743 56.795 56.100 -0.080 0.000 0.948 735 R CB -0.255 29.986 30.300 -0.098 0.000 0.845 735 R HN 0.307 nan 8.270 nan 0.000 0.430 736 L N 1.118 122.271 121.223 -0.117 0.000 2.421 736 L HA 0.146 4.486 4.340 -0.000 0.000 0.263 736 L C 1.992 178.777 176.870 -0.141 0.000 1.122 736 L CA -0.443 54.312 54.840 -0.141 0.000 0.804 736 L CB 0.486 42.396 42.059 -0.248 0.000 1.150 736 L HN 0.007 nan 8.230 nan 0.000 0.457 737 L N 0.541 121.652 121.223 -0.187 0.000 2.127 737 L HA -0.136 4.204 4.340 -0.000 0.000 0.211 737 L C 1.259 178.051 176.870 -0.130 0.000 1.089 737 L CA 1.530 56.216 54.840 -0.257 0.000 0.757 737 L CB -0.485 41.193 42.059 -0.636 0.000 0.899 737 L HN 0.844 nan 8.230 nan 0.000 0.434 738 T N -4.426 110.060 114.554 -0.114 0.000 3.466 738 T HA 0.281 4.631 4.350 -0.000 0.000 0.297 738 T C -1.631 173.001 174.700 -0.114 0.000 1.640 738 T CA -1.771 60.299 62.100 -0.049 0.000 1.631 738 T CB 0.662 69.534 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 1.082 178.293 177.300 -0.150 0.000 1.151 739 P CA 1.306 64.321 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 -0.017 118.621 118.700 -0.103 0.000 2.515 740 N HA -0.037 4.703 4.740 -0.000 0.000 0.185 740 N C 0.598 176.049 175.510 -0.097 0.000 1.109 740 N CA 0.674 53.677 53.050 -0.080 0.000 0.903 740 N CB 0.124 38.585 38.487 -0.042 0.000 0.969 740 N HN 0.548 nan 8.380 nan 0.000 0.450 741 E N -1.601 118.503 120.200 -0.159 0.000 2.417 741 E HA 0.241 4.591 4.350 -0.000 0.000 0.280 741 E C -1.524 174.933 176.600 -0.239 0.000 1.112 741 E CA -0.785 55.530 56.400 -0.141 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 1.206 121.110 119.950 -0.076 0.000 2.375 742 F HA 0.279 4.806 4.527 -0.000 0.000 0.362 742 F C 0.242 175.951 175.800 -0.152 0.000 1.129 742 F CA -0.274 57.697 58.000 -0.049 0.000 1.154 742 F CB 1.179 40.196 39.000 0.029 0.000 1.205 742 F HN 0.281 nan 8.300 nan 0.000 0.513 743 E N 4.093 124.299 120.200 0.010 0.000 2.089 743 E HA 0.204 4.554 4.350 -0.000 0.000 0.284 743 E C 0.750 177.249 176.600 -0.167 0.000 1.023 743 E CA -0.146 56.217 56.400 -0.062 0.000 0.819 743 E CB 1.053 30.752 29.700 -0.002 0.000 1.076 743 E HN 0.665 nan 8.360 nan 0.000 0.396 744 I N 3.543 123.865 120.570 -0.413 0.000 2.353 744 I HA -0.178 3.992 4.170 -0.000 0.000 0.248 744 I C 0.611 176.592 176.117 -0.227 0.000 1.119 744 I CA 1.248 62.084 61.300 -0.774 0.000 1.417 744 I CB 0.038 37.385 38.000 -1.089 0.000 1.078 744 I HN 0.389 nan 8.210 nan 0.000 0.421 745 K N -0.182 120.202 120.400 -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 1.777 34.458 32.500 0.301 0.000 1.424 745 K HN -0.203 nan 8.250 nan 0.000 0.427 746 R N 0.465 121.044 120.500 0.131 0.000 2.740 746 R HA 0.563 4.903 4.340 -0.000 0.000 0.282 746 R C -0.841 175.519 176.300 0.099 0.000 0.969 746 R CA -0.590 55.571 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 1.798 117.541 115.700 0.071 0.000 2.461 747 S HA 0.407 4.877 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 -0.594 57.644 58.200 0.063 0.000 1.120 747 S CB 0.360 63.591 63.200 0.052 0.000 0.968 747 S HN 0.547 nan 8.310 nan 0.000 0.467 748 V N 1.322 121.265 119.914 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 3.186 65.505 62.300 0.032 0.000 3.465 748 V CB -2.148 29.688 31.823 0.023 0.000 0.759 748 V HN 0.915 nan 8.190 nan 0.000 0.788 749 D N 0.366 120.771 120.400 0.008 0.000 2.228 749 D HA 0.111 4.751 4.640 -0.000 0.000 0.203 749 D C 1.785 178.069 176.300 -0.026 0.000 0.988 749 D CA 2.064 56.059 54.000 -0.009 0.000 0.864 749 D CB -0.577 40.219 40.800 -0.008 0.000 0.928 749 D HN 1.225 nan 8.370 nan 0.000 0.469 750 G N -1.207 107.587 108.800 -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 0.479 45.560 45.100 -0.032 0.000 0.821 750 G HN 0.188 nan 8.290 nan 0.000 0.526 751 E N 1.655 121.864 120.200 0.015 0.000 2.132 751 E HA -0.228 4.122 4.350 -0.000 0.000 0.218 751 E C 2.639 179.273 176.600 0.056 0.000 1.058 751 E CA 1.752 58.176 56.400 0.040 0.000 0.882 751 E CB -0.853 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 -0.439 108.369 108.800 0.014 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 1.228 176.253 174.900 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 0.976 121.296 120.300 0.033 0.000 2.490 753 Y HA 0.227 4.777 4.550 -0.000 0.000 0.281 753 Y C 1.036 176.963 175.900 0.045 0.000 1.174 753 Y CA -1.115 57.008 58.100 0.038 0.000 1.295 753 Y CB -0.416 38.064 38.460 0.034 0.000 1.062 753 Y HN 0.093 nan 8.280 nan 0.000 0.522 754 N N -0.533 118.283 118.700 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 53.011 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 -1.075 118.846 119.914 0.013 0.000 3.181 755 V HA 0.560 4.680 4.120 -0.000 0.000 0.307 755 V C -0.435 175.577 176.094 -0.135 0.000 1.310 755 V CA 0.026 62.271 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 1.690 124.369 122.820 -0.234 0.000 2.799 756 A HA -0.265 4.055 4.320 -0.000 0.000 0.274 756 A C 0.766 178.335 177.584 -0.026 0.000 1.393 756 A CA 2.042 53.974 52.037 -0.175 0.000 0.909 756 A CB -2.282 16.572 19.000 -0.243 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 1.206 57.026 55.803 0.029 0.000 0.952 757 Q CB -2.744 26.004 28.738 0.017 0.000 1.333 757 Q HN 2.176 nan 8.270 nan 0.000 0.494 758 C N -2.380 116.980 119.300 0.100 0.000 3.311 758 C HA 0.598 5.058 4.460 -0.000 0.000 0.366 758 C C 1.198 176.312 174.990 0.207 0.000 1.694 758 C CA -0.197 58.925 59.018 0.173 0.000 1.244 758 C CB 0.899 28.767 27.740 0.213 0.000 2.038 758 C HN 0.456 nan 8.230 nan 0.000 0.436 759 N N 0.674 119.559 118.700 0.308 0.000 2.370 759 N HA 0.072 4.812 4.740 -0.000 0.000 0.198 759 N C 0.149 175.847 175.510 0.313 0.000 1.156 759 N CA -0.016 53.208 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 0.888 nan 8.380 nan 0.000 0.468 760 M N 1.658 121.423 119.600 0.274 0.000 2.242 760 M HA 0.097 4.577 4.480 -0.000 0.000 0.344 760 M C 0.162 176.547 176.300 0.141 0.000 1.140 760 M CA -0.303 55.103 55.300 0.176 0.000 1.160 760 M CB 0.938 33.546 32.600 0.013 0.000 1.491 760 M HN 0.206 nan 8.290 nan 0.000 0.459 761 T N 1.107 115.752 114.554 0.151 0.000 2.899 761 T HA 0.312 4.662 4.350 -0.000 0.000 0.284 761 T C 0.749 175.523 174.700 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 0.567 121.013 120.400 0.077 0.000 2.057 762 K HA -0.129 4.191 4.320 -0.000 0.000 0.207 762 K C 1.857 178.512 176.600 0.093 0.000 1.049 762 K CA 1.673 58.004 56.287 0.073 0.000 0.931 762 K CB -0.208 32.315 32.500 0.038 0.000 0.714 762 K HN 0.612 nan 8.250 nan 0.000 0.440 763 D N 0.172 120.592 120.400 0.033 0.000 2.106 763 D HA -0.233 4.407 4.640 -0.000 0.000 0.191 763 D C 1.488 177.816 176.300 0.047 0.000 0.997 763 D CA 0.925 54.933 54.000 0.013 0.000 0.834 763 D CB -0.283 40.504 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 -0.237 4.423 4.660 -0.000 0.000 0.303 764 W C 2.130 178.503 176.519 -0.243 0.000 1.208 764 W CA 0.510 57.745 57.345 -0.184 0.000 1.274 764 W CB -0.545 28.790 29.460 -0.209 0.000 1.138 764 W HN -0.072 nan 8.180 nan 0.000 0.515 765 F N 1.268 121.076 119.950 -0.236 0.000 2.161 765 F HA -0.256 4.271 4.527 -0.000 0.000 0.300 765 F C 2.273 177.866 175.800 -0.344 0.000 1.089 765 F CA 1.894 59.670 58.000 -0.373 0.000 1.282 765 F CB -0.942 37.861 39.000 -0.328 0.000 1.010 765 F HN -0.135 nan 8.300 nan 0.000 0.485 766 L N -0.288 120.848 121.223 -0.146 0.000 2.027 766 L HA -0.123 4.217 4.340 -0.000 0.000 0.206 766 L C 2.167 178.807 176.870 -0.383 0.000 1.074 766 L CA 1.703 56.488 54.840 -0.092 0.000 0.745 766 L CB -0.997 41.083 42.059 0.034 0.000 0.898 766 L HN 0.022 nan 8.230 nan 0.000 0.433 767 V N -0.276 119.310 119.914 -0.545 0.000 2.358 767 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 767 V C 2.691 178.291 176.094 -0.822 0.000 1.047 767 V CA 1.627 63.470 62.300 -0.763 0.000 1.035 767 V CB -0.793 30.480 31.823 -0.916 0.000 0.658 767 V HN 0.505 nan 8.190 nan 0.000 0.452 768 Q N -0.906 118.241 119.800 -1.088 0.000 2.084 768 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 768 Q C 2.246 177.756 176.000 -0.815 0.000 0.978 768 Q CA 1.329 56.427 55.803 -1.175 0.000 0.844 768 Q CB -0.449 27.174 28.738 -1.858 0.000 0.898 768 Q HN 0.470 nan 8.270 nan 0.000 0.426 769 M N -0.014 119.174 119.600 -0.686 0.000 2.132 769 M HA -0.082 4.398 4.480 -0.000 0.000 0.263 769 M C 2.299 178.471 176.300 -0.213 0.000 1.065 769 M CA 1.143 56.253 55.300 -0.317 0.000 1.122 769 M CB -0.898 31.498 32.600 -0.341 0.000 1.365 769 M HN 0.156 nan 8.290 nan 0.000 0.411 770 L N -0.326 120.718 121.223 -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 -0.191 0.000 1.075 770 L CA 1.150 55.860 54.840 -0.216 0.000 0.747 770 L CB -0.989 40.951 42.059 -0.198 0.000 0.903 770 L HN 0.240 nan 8.230 nan 0.000 0.435 771 A N 0.061 122.723 122.820 -0.265 0.000 1.940 771 A HA -0.223 4.098 4.320 -0.000 0.000 0.219 771 A C 2.105 179.503 177.584 -0.311 0.000 1.176 771 A CA 2.069 53.958 52.037 -0.246 0.000 0.631 771 A CB -0.597 18.217 19.000 -0.310 0.000 0.814 771 A HN 0.506 nan 8.150 nan 0.000 0.446 772 N N -2.105 116.306 118.700 -0.482 0.000 2.305 772 N HA -0.016 4.724 4.740 -0.000 0.000 0.179 772 N C 0.475 175.478 175.510 -0.845 0.000 1.019 772 N CA 1.496 54.079 53.050 -0.778 0.000 0.869 772 N CB 0.048 37.797 38.487 -1.230 0.000 1.000 772 N HN 0.675 nan 8.380 nan 0.000 0.431 773 Y N -0.786 119.440 120.300 -0.123 0.000 2.672 773 Y HA 0.350 4.900 4.550 -0.000 0.000 0.252 773 Y C 0.060 175.890 175.900 -0.117 0.000 1.132 773 Y CA -0.641 57.386 58.100 -0.121 0.000 1.228 773 Y CB 0.105 38.468 38.460 -0.162 0.000 1.310 773 Y HN -0.189 nan 8.280 nan 0.000 0.549 774 N N 0.664 119.356 118.700 -0.014 0.000 2.800 774 N HA -0.193 4.547 4.740 -0.000 0.000 0.250 774 N C -0.725 174.752 175.510 -0.055 0.000 1.078 774 N CA 0.821 53.860 53.050 -0.017 0.000 0.804 774 N CB -1.419 37.085 38.487 0.029 0.000 1.135 774 N HN 0.443 nan 8.380 nan 0.000 0.565 775 I N -0.631 119.875 120.570 -0.107 0.000 2.331 775 I HA 0.501 4.671 4.170 -0.000 0.000 0.292 775 I C 1.465 177.389 176.117 -0.321 0.000 0.998 775 I CA 0.521 61.680 61.300 -0.236 0.000 1.267 775 I CB 1.504 39.263 38.000 -0.401 0.000 1.386 775 I HN 0.234 nan 8.210 nan 0.000 0.476 776 G N 3.972 112.504 108.800 -0.447 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 -0.210 44.455 45.100 -0.725 0.000 0.882 776 G HN 0.457 nan 8.290 nan 0.000 0.364 777 Y N 1.416 121.593 120.300 -0.205 0.000 2.519 777 Y HA 0.340 4.890 4.550 -0.000 0.000 0.287 777 Y C 2.172 177.999 175.900 -0.122 0.000 1.128 777 Y CA 1.116 59.130 58.100 -0.143 0.000 1.282 777 Y CB 0.439 38.853 38.460 -0.077 0.000 1.027 777 Y HN 0.243 nan 8.280 nan 0.000 0.551 778 Q N 0.066 119.871 119.800 0.008 0.000 2.233 778 Q HA 0.432 4.772 4.340 -0.000 0.000 0.340 778 Q C 0.077 176.094 176.000 0.028 0.000 0.899 778 Q CA -0.042 55.780 55.803 0.031 0.000 1.139 778 Q CB 0.952 29.734 28.738 0.073 0.000 1.273 778 Q HN 0.374 nan 8.270 nan 0.000 0.431 779 G N 0.594 109.330 108.800 -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 -1.119 173.695 174.900 -0.144 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 1.242 121.256 119.950 0.108 0.000 2.421 780 F HA 0.825 5.352 4.527 -0.000 0.000 0.337 780 F C 0.708 176.556 175.800 0.080 0.000 1.105 780 F CA -0.237 57.761 58.000 -0.005 0.000 1.049 780 F CB 1.623 40.708 39.000 0.141 0.000 1.139 780 F HN 0.747 nan 8.300 nan 0.000 0.479 781 Y N -0.188 120.193 120.300 0.134 0.000 2.689 781 Y HA 0.624 5.174 4.550 -0.000 0.000 0.333 781 Y C -1.121 174.641 175.900 -0.230 0.000 1.208 781 Y CA -2.129 55.961 58.100 -0.018 0.000 1.055 781 Y CB 0.454 38.890 38.460 -0.040 0.000 1.304 781 Y HN 0.344 nan 8.280 nan 0.000 0.455 782 I N 4.303 124.801 120.570 -0.120 0.000 2.598 782 I HA 0.171 4.341 4.170 -0.000 0.000 0.284 782 I C -2.022 173.852 176.117 -0.405 0.000 1.140 782 I CA -1.477 59.512 61.300 -0.518 0.000 1.420 782 I CB 0.353 38.171 38.000 -0.305 0.000 1.387 782 I HN 0.394 nan 8.210 nan 0.000 0.553 783 P HA 0.130 nan 4.420 nan 0.000 0.269 783 P C -0.225 176.849 177.300 -0.377 0.000 1.215 783 P CA -0.211 62.507 63.100 -0.637 0.000 0.780 783 P CB 0.308 31.253 31.700 -1.258 0.000 0.898 784 E N 0.963 120.985 120.200 -0.297 0.000 2.415 784 E HA 0.094 4.444 4.350 -0.000 0.000 0.263 784 E C 1.337 177.736 176.600 -0.335 0.000 0.995 784 E CA 0.226 56.462 56.400 -0.273 0.000 0.915 784 E CB -0.721 28.780 29.700 -0.332 0.000 0.951 784 E HN 0.438 nan 8.360 nan 0.000 0.449 785 S N 1.022 116.639 115.700 -0.138 0.000 2.389 785 S HA -0.320 4.150 4.470 -0.000 0.000 0.231 785 S C 1.953 176.532 174.600 -0.035 0.000 1.052 785 S CA 2.097 60.266 58.200 -0.052 0.000 1.053 785 S CB -0.964 62.252 63.200 0.027 0.000 0.886 785 S HN 0.991 nan 8.310 nan 0.000 0.456 786 Y N 1.791 122.106 120.300 0.024 0.000 2.497 786 Y HA 0.186 4.736 4.550 -0.000 0.000 0.292 786 Y C 1.638 177.577 175.900 0.065 0.000 1.137 786 Y CA 0.522 58.642 58.100 0.034 0.000 1.285 786 Y CB -0.532 37.942 38.460 0.024 0.000 0.991 786 Y HN 0.127 nan 8.280 nan 0.000 0.556 787 K N -0.315 119.820 120.400 -0.441 0.000 2.352 787 K HA 0.015 4.335 4.320 -0.000 0.000 0.194 787 K C -0.214 176.461 176.600 0.126 0.000 1.038 787 K CA 0.585 56.785 56.287 -0.144 0.000 1.023 787 K CB 0.243 32.628 32.500 -0.193 0.000 0.840 787 K HN 0.111 nan 8.250 nan 0.000 0.519 788 D N 2.305 122.740 120.400 0.058 0.000 2.518 788 D HA 0.057 4.697 4.640 -0.000 0.000 0.230 788 D C -0.141 176.231 176.300 0.120 0.000 1.138 788 D CA -0.309 53.796 54.000 0.175 0.000 0.964 788 D CB 0.319 41.145 40.800 0.043 0.000 1.011 788 D HN -0.006 nan 8.370 nan 0.000 0.517 789 R N 1.946 122.522 120.500 0.127 0.000 2.519 789 R HA 0.274 4.614 4.340 -0.000 0.000 0.244 789 R C 1.553 177.862 176.300 0.015 0.000 1.241 789 R CA -0.782 55.357 56.100 0.065 0.000 1.120 789 R CB -0.109 30.232 30.300 0.069 0.000 1.333 789 R HN 0.289 nan 8.270 nan 0.000 0.587 790 M N 0.126 119.667 119.600 -0.098 0.000 2.082 790 M HA -0.183 4.297 4.480 -0.000 0.000 0.258 790 M C 0.614 176.735 176.300 -0.299 0.000 1.069 790 M CA 2.041 57.166 55.300 -0.291 0.000 1.102 790 M CB -0.032 32.236 32.600 -0.553 0.000 1.336 790 M HN 0.446 nan 8.290 nan 0.000 0.404 791 Y N -0.239 120.092 120.300 0.052 0.000 2.532 791 Y HA 0.299 4.849 4.550 -0.000 0.000 0.283 791 Y C 0.835 176.785 175.900 0.083 0.000 1.181 791 Y CA -0.512 57.630 58.100 0.070 0.000 1.256 791 Y CB -0.390 38.107 38.460 0.063 0.000 1.112 791 Y HN 0.025 nan 8.280 nan 0.000 0.521 792 S N 0.056 115.870 115.700 0.190 0.000 2.645 792 S HA 0.078 4.548 4.470 -0.000 0.000 0.266 792 S C 0.950 175.696 174.600 0.244 0.000 1.258 792 S CA -0.676 57.645 58.200 0.202 0.000 0.990 792 S CB 0.585 63.934 63.200 0.248 0.000 0.967 792 S HN 0.390 nan 8.310 nan 0.000 0.556 793 F N 1.551 121.579 119.950 0.131 0.000 2.022 793 F HA -0.054 4.473 4.527 -0.000 0.000 0.293 793 F C 1.848 177.815 175.800 0.277 0.000 1.142 793 F CA 1.419 59.511 58.000 0.153 0.000 1.177 793 F CB -0.815 38.216 39.000 0.052 0.000 0.982 793 F HN 0.665 nan 8.300 nan 0.000 0.473 794 F N 1.552 121.395 119.950 -0.179 0.000 2.043 794 F HA -0.270 4.257 4.527 -0.000 0.000 0.297 794 F C 2.839 178.574 175.800 -0.108 0.000 1.121 794 F CA 2.559 60.389 58.000 -0.283 0.000 1.199 794 F CB -0.714 38.227 39.000 -0.098 0.000 0.968 794 F HN 0.060 nan 8.300 nan 0.000 0.478 795 R N 0.504 121.068 120.500 0.106 0.000 2.170 795 R HA -0.191 4.149 4.340 -0.000 0.000 0.242 795 R C 1.338 177.592 176.300 -0.077 0.000 1.145 795 R CA 2.092 58.203 56.100 0.019 0.000 0.984 795 R CB -0.495 29.857 30.300 0.086 0.000 0.869 795 R HN 0.347 nan 8.270 nan 0.000 0.455 796 N N -0.656 118.009 118.700 -0.059 0.000 2.236 796 N HA -0.040 4.700 4.740 -0.000 0.000 0.196 796 N C -0.729 174.778 175.510 -0.005 0.000 1.114 796 N CA -0.016 53.030 53.050 -0.006 0.000 0.859 796 N CB 0.300 38.838 38.487 0.086 0.000 0.982 796 N HN 0.085 nan 8.380 nan 0.000 0.493 797 F N 3.120 122.858 119.950 -0.355 0.000 2.472 797 F HA 0.180 4.707 4.527 -0.000 0.000 0.364 797 F C -0.142 175.521 175.800 -0.229 0.000 1.090 797 F CA -0.192 57.607 58.000 -0.336 0.000 1.188 797 F CB 0.552 39.134 39.000 -0.697 0.000 1.105 797 F HN -0.176 nan 8.300 nan 0.000 0.536 798 Q N 8.615 128.097 119.800 -0.530 0.000 2.490 798 Q HA 0.308 4.648 4.340 -0.000 0.000 0.255 798 Q C -2.703 173.009 176.000 -0.481 0.000 0.997 798 Q CA -1.983 53.535 55.803 -0.474 0.000 0.709 798 Q CB 1.620 30.237 28.738 -0.202 0.000 1.255 798 Q HN 0.413 nan 8.270 nan 0.000 0.486 799 P HA 0.366 nan 4.420 nan 0.000 0.285 799 P C -0.525 176.702 177.300 -0.121 0.000 1.259 799 P CA -0.236 62.670 63.100 -0.324 0.000 0.794 799 P CB 1.007 32.513 31.700 -0.323 0.000 0.940 800 M N 1.118 120.716 119.600 -0.003 0.000 2.572 800 M HA 0.532 5.012 4.480 -0.000 0.000 0.299 800 M C -0.307 176.176 176.300 0.305 0.000 1.205 800 M CA -0.312 55.046 55.300 0.097 0.000 0.876 800 M CB 2.601 35.176 32.600 -0.041 0.000 1.728 800 M HN 0.155 nan 8.290 nan 0.000 0.458 801 S N 0.385 116.326 115.700 0.402 0.000 2.556 801 S HA 0.874 5.344 4.470 -0.000 0.000 0.271 801 S C -1.499 173.184 174.600 0.137 0.000 1.135 801 S CA -0.937 57.450 58.200 0.312 0.000 0.858 801 S CB 2.585 65.867 63.200 0.137 0.000 1.114 801 S HN 0.782 nan 8.310 nan 0.000 0.468 802 R N 0.764 121.147 120.500 -0.195 0.000 2.728 802 R HA 0.665 5.005 4.340 -0.000 0.000 0.274 802 R C -2.230 173.856 176.300 -0.357 0.000 1.032 802 R CA -0.941 54.920 56.100 -0.399 0.000 0.866 802 R CB 0.685 30.429 30.300 -0.926 0.000 1.263 802 R HN 0.417 nan 8.270 nan 0.000 0.475 803 Q N 0.373 120.000 119.800 -0.289 0.000 2.377 803 Q HA 0.682 5.022 4.340 -0.000 0.000 0.271 803 Q C -1.121 174.745 176.000 -0.224 0.000 1.077 803 Q CA -0.753 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 -1.744 118.058 119.914 -0.187 0.000 3.078 804 V HA 0.736 4.856 4.120 -0.000 0.000 0.311 804 V C -0.268 175.740 176.094 -0.142 0.000 1.138 804 V CA -1.372 60.837 62.300 -0.152 0.000 1.007 804 V CB 1.392 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 0.049 119.885 119.914 -0.130 0.000 2.788 805 V HA 0.194 4.314 4.120 -0.000 0.000 0.307 805 V C 0.390 176.358 176.094 -0.210 0.000 1.069 805 V CA 0.291 62.467 62.300 -0.206 0.000 1.173 805 V CB 0.216 31.904 31.823 -0.224 0.000 0.925 805 V HN 1.044 nan 8.190 nan 0.000 0.492 806 D N 3.732 124.009 120.400 -0.205 0.000 2.393 806 D HA 0.068 4.708 4.640 -0.000 0.000 0.232 806 D C 1.114 177.261 176.300 -0.254 0.000 1.192 806 D CA -0.351 53.541 54.000 -0.181 0.000 0.882 806 D CB 0.986 41.719 40.800 -0.112 0.000 1.038 806 D HN 0.782 nan 8.370 nan 0.000 0.499 807 D N 1.592 121.731 120.400 -0.435 0.000 2.265 807 D HA -0.202 4.438 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 0.967 54.509 54.000 -0.763 0.000 0.871 807 D CB -0.312 39.951 40.800 -0.894 0.000 0.925 807 D HN 0.456 nan 8.370 nan 0.000 0.485 808 T N -4.211 110.237 114.554 -0.177 0.000 3.069 808 T HA 0.356 4.706 4.350 -0.000 0.000 0.252 808 T C 1.541 176.215 174.700 -0.044 0.000 1.053 808 T CA 0.749 62.800 62.100 -0.082 0.000 0.964 808 T CB 0.306 69.138 68.868 -0.061 0.000 1.005 808 T HN 0.324 nan 8.240 nan 0.000 0.532 809 K N 0.049 120.428 120.400 -0.035 0.000 2.502 809 K HA 0.333 4.653 4.320 -0.000 0.000 0.211 809 K C 0.224 176.855 176.600 0.052 0.000 1.259 809 K CA -0.236 56.050 56.287 -0.001 0.000 0.983 809 K CB -0.306 32.189 32.500 -0.008 0.000 1.054 809 K HN 0.500 nan 8.250 nan 0.000 0.572 810 Y N 3.245 123.491 120.300 -0.090 0.000 2.585 810 Y HA 0.370 4.920 4.550 -0.000 0.000 0.354 810 Y C 1.679 177.571 175.900 -0.013 0.000 1.024 810 Y CA -0.205 57.850 58.100 -0.075 0.000 1.321 810 Y CB 0.366 38.742 38.460 -0.141 0.000 1.151 810 Y HN 0.329 nan 8.280 nan 0.000 0.525 811 K N 2.987 123.220 120.400 -0.279 0.000 2.077 811 K HA -0.226 4.094 4.320 -0.000 0.000 0.213 811 K C 1.059 177.425 176.600 -0.389 0.000 1.051 811 K CA 2.523 58.644 56.287 -0.277 0.000 0.929 811 K CB -0.723 31.660 32.500 -0.194 0.000 0.715 811 K HN 0.804 nan 8.250 nan 0.000 0.451 812 D N -1.561 118.346 120.400 -0.822 0.000 2.319 812 D HA 0.057 4.697 4.640 -0.000 0.000 0.230 812 D C 0.094 176.201 176.300 -0.322 0.000 1.094 812 D CA -0.390 53.278 54.000 -0.553 0.000 0.856 812 D CB -0.626 39.917 40.800 -0.429 0.000 0.915 812 D HN 0.554 nan 8.370 nan 0.000 0.517 813 Y N 2.353 122.427 120.300 -0.376 0.000 2.904 813 Y HA -0.078 4.472 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 0.566 58.686 58.100 0.034 0.000 1.547 813 Y CB 0.366 38.864 38.460 0.063 0.000 1.272 813 Y HN -0.170 nan 8.280 nan 0.000 0.596 814 Q N 5.435 124.855 119.800 -0.634 0.000 2.274 814 Q HA 0.134 4.474 4.340 -0.000 0.000 0.268 814 Q C -1.387 174.200 176.000 -0.690 0.000 1.015 814 Q CA -0.734 54.773 55.803 -0.494 0.000 0.775 814 Q CB 1.891 30.576 28.738 -0.089 0.000 1.256 814 Q HN 0.809 nan 8.270 nan 0.000 0.442 815 Q N 2.265 121.751 119.800 -0.523 0.000 2.452 815 Q HA 0.344 4.684 4.340 -0.000 0.000 0.230 815 Q C -1.021 174.967 176.000 -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 3.534 123.454 119.914 0.010 0.000 2.370 816 V HA 0.631 4.751 4.120 -0.000 0.000 0.283 816 V C 0.798 176.878 176.094 -0.024 0.000 1.023 816 V CA -0.533 61.773 62.300 0.009 0.000 0.857 816 V CB 1.285 33.093 31.823 -0.025 0.000 0.985 816 V HN 0.789 nan 8.190 nan 0.000 0.443 817 G N 2.594 111.390 108.800 -0.007 0.000 2.535 817 G HA2 0.481 4.441 3.960 -0.000 0.000 0.303 817 G HA3 0.481 4.441 3.960 -0.000 0.000 0.303 817 G C 0.863 175.670 174.900 -0.155 0.000 1.237 817 G CA -0.542 44.521 45.100 -0.062 0.000 0.986 817 G HN 0.736 nan 8.290 nan 0.000 0.494 818 I N -0.668 119.808 120.570 -0.158 0.000 2.194 818 I HA -0.202 3.968 4.170 -0.000 0.000 0.246 818 I C 2.517 178.535 176.117 -0.165 0.000 1.093 818 I CA 1.169 62.367 61.300 -0.170 0.000 1.355 818 I CB -0.808 37.120 38.000 -0.120 0.000 1.046 818 I HN 0.336 nan 8.210 nan 0.000 0.413 819 L N -0.136 120.943 121.223 -0.241 0.000 2.197 819 L HA -0.250 4.090 4.340 -0.000 0.000 0.215 819 L C 1.745 178.351 176.870 -0.440 0.000 1.095 819 L CA 1.830 56.449 54.840 -0.369 0.000 0.764 819 L CB -0.793 40.932 42.059 -0.557 0.000 0.897 819 L HN 0.495 nan 8.230 nan 0.000 0.436 820 H N -2.764 116.329 119.070 0.039 0.000 2.923 820 H HA 0.219 4.775 4.556 -0.000 0.000 0.268 820 H C 0.025 175.347 175.328 -0.011 0.000 1.148 820 H CA -0.419 55.653 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 0.299 nan 8.280 nan 0.000 0.566 821 Q N 2.145 121.934 119.800 -0.019 0.000 2.261 821 Q HA 0.174 4.514 4.340 -0.000 0.000 0.252 821 Q C -0.353 175.659 176.000 0.020 0.000 0.915 821 Q CA -0.540 55.170 55.803 -0.155 0.000 0.915 821 Q CB 1.081 29.535 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 0.529 5.085 4.556 -0.000 0.000 0.339 822 H C -1.433 173.955 175.328 0.101 0.000 1.004 822 H CA -0.903 55.199 56.048 0.091 0.000 1.257 822 H CB 1.312 31.119 29.762 0.076 0.000 1.552 822 H HN 0.488 nan 8.280 nan 0.000 0.522 823 N N 3.551 122.399 118.700 0.247 0.000 2.616 823 N HA 0.096 4.836 4.740 -0.000 0.000 0.281 823 N C -0.565 175.123 175.510 0.297 0.000 1.145 823 N CA -0.244 52.923 53.050 0.195 0.000 0.919 823 N CB 0.866 39.339 38.487 -0.022 0.000 1.509 823 N HN 0.862 nan 8.380 nan 0.000 0.537 824 N N -0.144 118.734 118.700 0.297 0.000 3.003 824 N HA -0.153 4.587 4.740 -0.000 0.000 0.237 824 N C -0.576 175.177 175.510 0.405 0.000 0.969 824 N CA 1.070 54.338 53.050 0.363 0.000 0.941 824 N CB -1.447 37.218 38.487 0.297 0.000 1.098 824 N HN 0.728 nan 8.380 nan 0.000 0.563 825 S N -0.560 115.317 115.700 0.296 0.000 2.558 825 S HA 0.362 4.832 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 1.233 59.518 58.200 0.142 0.000 1.063 825 S CB 1.288 64.537 63.200 0.082 0.000 0.831 825 S HN 1.190 nan 8.310 nan 0.000 0.499 826 G N 2.259 110.953 108.800 -0.176 0.000 2.217 826 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.246 826 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.246 826 G C 0.192 174.654 174.900 -0.730 0.000 0.990 826 G CA 0.401 45.199 45.100 -0.502 0.000 0.627 826 G HN 0.864 nan 8.290 nan 0.000 0.522 827 F N -0.428 119.536 119.950 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 1.134 40.150 39.000 0.026 0.000 1.056 827 F HN 0.168 nan 8.300 nan 0.000 0.571 828 V N -0.402 119.592 119.914 0.134 0.000 3.040 828 V HA 0.767 4.887 4.120 -0.000 0.000 0.312 828 V C 0.257 176.369 176.094 0.030 0.000 1.115 828 V CA -1.086 61.259 62.300 0.075 0.000 0.998 828 V CB 1.921 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 0.782 109.576 108.800 -0.010 0.000 2.569 829 G HA2 0.326 4.286 3.960 -0.000 0.000 0.249 829 G HA3 0.326 4.286 3.960 -0.000 0.000 0.249 829 G C -1.258 173.679 174.900 0.061 0.000 1.216 829 G CA 0.010 45.102 45.100 -0.014 0.000 0.845 829 G HN 0.650 nan 8.290 nan 0.000 0.568 830 Y N 1.414 121.677 120.300 -0.061 0.000 2.383 830 Y HA 0.373 4.923 4.550 -0.000 0.000 0.344 830 Y C 1.040 176.932 175.900 -0.013 0.000 0.986 830 Y CA -1.006 57.072 58.100 -0.038 0.000 1.175 830 Y CB 0.378 38.807 38.460 -0.052 0.000 1.152 830 Y HN 0.523 nan 8.280 nan 0.000 0.511 831 L N 4.045 125.005 121.223 -0.438 0.000 3.976 831 L HA -0.310 4.030 4.340 -0.000 0.000 0.418 831 L C -0.117 176.722 176.870 -0.050 0.000 1.177 831 L CA 0.964 55.591 54.840 -0.355 0.000 0.968 831 L CB -1.950 39.714 42.059 -0.658 0.000 1.933 831 L HN 0.793 nan 8.230 nan 0.000 0.976 832 A N -1.910 120.879 122.820 -0.052 0.000 2.567 832 A HA 0.723 5.043 4.320 -0.000 0.000 0.291 832 A C -2.592 174.917 177.584 -0.124 0.000 1.048 832 A CA -0.639 51.379 52.037 -0.032 0.000 0.661 832 A CB 0.939 19.955 19.000 0.026 0.000 1.288 832 A HN -0.130 nan 8.150 nan 0.000 0.424 833 P HA 0.159 nan 4.420 nan 0.000 0.243 833 P C 0.489 177.664 177.300 -0.208 0.000 1.668 833 P CA 0.537 63.445 63.100 -0.320 0.000 0.898 833 P CB -0.664 30.796 31.700 -0.401 0.000 1.637 834 T N -4.036 110.428 114.554 -0.151 0.000 2.902 834 T HA 0.402 4.752 4.350 -0.000 0.000 0.287 834 T C 0.610 175.225 174.700 -0.143 0.000 1.048 834 T CA -1.022 60.992 62.100 -0.145 0.000 0.941 834 T CB 0.364 69.140 68.868 -0.153 0.000 1.432 834 T HN -0.035 nan 8.240 nan 0.000 0.586 835 M N 1.660 121.164 119.600 -0.159 0.000 2.252 835 M HA 0.183 4.663 4.480 -0.000 0.000 0.329 835 M C 0.279 176.512 176.300 -0.112 0.000 1.101 835 M CA -0.585 54.633 55.300 -0.137 0.000 1.117 835 M CB 0.484 32.986 32.600 -0.162 0.000 1.563 835 M HN 0.752 nan 8.290 nan 0.000 0.445 836 R N 2.928 123.380 120.500 -0.081 0.000 2.734 836 R HA 0.283 4.623 4.340 -0.000 0.000 0.266 836 R C -1.009 175.234 176.300 -0.096 0.000 1.044 836 R CA 0.026 56.087 56.100 -0.066 0.000 1.128 836 R CB -0.003 30.274 30.300 -0.038 0.000 1.010 836 R HN 0.738 nan 8.270 nan 0.000 0.461 837 E N -0.573 119.568 120.200 -0.099 0.000 2.439 837 E HA 0.602 4.952 4.350 -0.000 0.000 0.279 837 E C -0.389 176.125 176.600 -0.145 0.000 1.077 837 E CA -1.060 55.267 56.400 -0.121 0.000 0.849 837 E CB 0.813 30.449 29.700 -0.106 0.000 1.408 837 E HN 0.839 nan 8.360 nan 0.000 0.457 838 G N 0.524 109.226 108.800 -0.164 0.000 2.545 838 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.216 838 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.216 838 G C -1.152 173.623 174.900 -0.208 0.000 1.314 838 G CA 0.024 45.013 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 -0.447 55.245 55.803 -0.185 0.000 0.820 839 Q CB 1.569 30.239 28.738 -0.113 0.000 1.436 839 Q HN 2.275 nan 8.270 nan 0.000 0.395 840 A N 1.303 124.077 122.820 -0.078 0.000 2.555 840 A HA 0.399 4.719 4.320 -0.000 0.000 0.233 840 A C -1.100 176.641 177.584 0.262 0.000 1.060 840 A CA 0.702 52.825 52.037 0.142 0.000 0.759 840 A CB -0.055 19.076 19.000 0.217 0.000 0.995 840 A HN 0.645 nan 8.150 nan 0.000 0.506 841 Y N 0.387 120.741 120.300 0.089 0.000 2.554 841 Y HA 0.337 4.887 4.550 -0.000 0.000 0.338 841 Y C -2.453 173.519 175.900 0.120 0.000 1.247 841 Y CA -1.262 56.872 58.100 0.056 0.000 1.255 841 Y CB 1.319 39.750 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 -0.630 176.808 177.300 0.230 0.000 1.183 842 P CA 0.334 63.455 63.100 0.035 0.000 0.761 842 P CB 0.369 32.022 31.700 -0.079 0.000 0.785 843 A N 3.541 126.448 122.820 0.145 0.000 2.466 843 A HA 0.114 4.434 4.320 -0.000 0.000 0.238 843 A C 1.169 178.742 177.584 -0.020 0.000 1.074 843 A CA -0.142 51.954 52.037 0.099 0.000 0.774 843 A CB -0.104 18.892 19.000 -0.006 0.000 1.015 843 A HN 0.704 nan 8.150 nan 0.000 0.498 844 N N -0.066 118.514 118.700 -0.200 0.000 2.177 844 N HA 0.250 4.990 4.740 -0.000 0.000 0.218 844 N C -0.669 174.729 175.510 -0.186 0.000 1.182 844 N CA -0.075 52.831 53.050 -0.240 0.000 0.882 844 N CB 0.312 38.523 38.487 -0.461 0.000 1.052 844 N HN 0.485 nan 8.380 nan 0.000 0.519 845 F N 0.352 120.072 119.950 -0.382 0.000 2.708 845 F HA 0.574 5.101 4.527 -0.000 0.000 0.309 845 F C -2.988 172.527 175.800 -0.475 0.000 1.120 845 F CA -1.352 56.401 58.000 -0.412 0.000 0.978 845 F CB 1.602 40.401 39.000 -0.335 0.000 1.283 845 F HN -0.225 nan 8.300 nan 0.000 0.439 846 P HA 0.284 nan 4.420 nan 0.000 0.284 846 P C -1.458 175.433 177.300 -0.682 0.000 1.292 846 P CA -0.210 62.017 63.100 -1.456 0.000 0.800 846 P CB 0.739 31.749 31.700 -1.151 0.000 1.188 847 Y N -0.079 119.949 120.300 -0.453 0.000 2.425 847 Y HA 0.219 4.769 4.550 -0.000 0.000 0.331 847 Y C -1.367 174.393 175.900 -0.233 0.000 1.157 847 Y CA -1.417 56.532 58.100 -0.251 0.000 1.372 847 Y CB -0.864 37.475 38.460 -0.201 0.000 1.253 847 Y HN 0.205 nan 8.280 nan 0.000 0.536 848 P HA 0.146 nan 4.420 nan 0.000 0.276 848 P C -0.054 177.199 177.300 -0.077 0.000 1.253 848 P CA 0.123 63.194 63.100 -0.047 0.000 0.766 848 P CB 0.747 32.429 31.700 -0.030 0.000 0.845 849 L N 2.891 124.067 121.223 -0.079 0.000 2.640 849 L HA 0.251 4.591 4.340 -0.000 0.000 0.230 849 L C 1.066 177.892 176.870 -0.073 0.000 1.123 849 L CA 0.112 54.896 54.840 -0.093 0.000 0.900 849 L CB -0.177 41.827 42.059 -0.092 0.000 1.146 849 L HN 0.391 nan 8.230 nan 0.000 0.484 850 I N -4.012 116.524 120.570 -0.056 0.000 3.206 850 I HA 0.953 5.123 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 -0.693 60.582 61.300 -0.041 0.000 0.985 850 I CB 1.701 39.681 38.000 -0.032 0.000 1.240 850 I HN -0.026 nan 8.210 nan 0.000 0.464 851 G N 2.088 110.873 108.800 -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 -0.057 174.834 174.900 -0.015 0.000 1.324 851 G CA -0.059 45.030 45.100 -0.018 0.000 0.878 851 G HN 0.867 nan 8.290 nan 0.000 0.527 852 K N -0.866 119.529 120.400 -0.008 0.000 2.504 852 K HA 0.087 4.407 4.320 -0.000 0.000 0.195 852 K C 1.851 178.453 176.600 0.002 0.000 1.036 852 K CA 1.355 57.640 56.287 -0.003 0.000 0.984 852 K CB 0.089 32.590 32.500 0.001 0.000 0.788 852 K HN 0.368 nan 8.250 nan 0.000 0.488 853 T N 0.593 115.147 114.554 0.001 0.000 3.044 853 T HA 0.216 4.566 4.350 -0.000 0.000 0.260 853 T C 0.163 174.857 174.700 -0.010 0.000 1.019 853 T CA -0.244 61.863 62.100 0.012 0.000 0.921 853 T CB 0.271 69.155 68.868 0.025 0.000 1.053 853 T HN 0.219 nan 8.240 nan 0.000 0.533 854 A N 1.932 124.729 122.820 -0.038 0.000 2.609 854 A HA 0.328 4.648 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 -0.070 51.917 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 0.781 120.524 119.914 -0.285 0.000 2.953 855 V HA 0.310 4.430 4.120 -0.000 0.000 0.304 855 V C 0.212 176.111 176.094 -0.326 0.000 1.073 855 V CA -1.171 60.806 62.300 -0.540 0.000 1.064 855 V CB 0.731 31.843 31.823 -1.185 0.000 1.047 855 V HN 0.791 nan 8.190 nan 0.000 0.478 856 D N 2.721 122.985 120.400 -0.228 0.000 2.487 856 D HA 0.211 4.851 4.640 -0.000 0.000 0.243 856 D C 0.453 176.658 176.300 -0.160 0.000 1.154 856 D CA 0.683 54.620 54.000 -0.105 0.000 0.876 856 D CB 1.037 41.839 40.800 0.003 0.000 1.161 856 D HN 0.958 nan 8.370 nan 0.000 0.478 857 S N 1.666 117.290 115.700 -0.126 0.000 2.726 857 S HA 0.740 5.210 4.470 -0.000 0.000 0.308 857 S C -0.484 174.055 174.600 -0.102 0.000 1.115 857 S CA -0.874 57.248 58.200 -0.131 0.000 0.965 857 S CB 2.048 65.169 63.200 -0.131 0.000 1.145 857 S HN 0.299 nan 8.310 nan 0.000 0.532 858 I N 0.522 121.027 120.570 -0.108 0.000 2.647 858 I HA 0.494 4.664 4.170 -0.000 0.000 0.295 858 I C -0.451 175.610 176.117 -0.095 0.000 1.078 858 I CA -0.070 61.177 61.300 -0.088 0.000 1.048 858 I CB 2.387 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 5.796 120.308 114.554 -0.069 0.000 2.837 859 T HA 0.538 4.888 4.350 -0.000 0.000 0.285 859 T C -0.632 174.041 174.700 -0.046 0.000 0.984 859 T CA -0.557 61.502 62.100 -0.067 0.000 1.049 859 T CB 0.858 69.704 68.868 -0.037 0.000 0.947 859 T HN 0.432 nan 8.240 nan 0.000 0.472 860 Q N 1.989 121.747 119.800 -0.070 0.000 2.321 860 Q HA 0.486 4.826 4.340 -0.000 0.000 0.270 860 Q C -0.975 175.121 176.000 0.160 0.000 1.032 860 Q CA -0.872 54.939 55.803 0.014 0.000 0.784 860 Q CB 2.347 31.051 28.738 -0.056 0.000 1.264 860 Q HN 0.506 nan 8.270 nan 0.000 0.448 861 K N 2.176 122.718 120.400 0.237 0.000 2.371 861 K HA 0.639 4.959 4.320 -0.000 0.000 0.251 861 K C -0.768 175.993 176.600 0.269 0.000 0.934 861 K CA -0.903 55.553 56.287 0.282 0.000 0.798 861 K CB 2.337 34.953 32.500 0.193 0.000 1.204 861 K HN 0.559 nan 8.250 nan 0.000 0.427 862 K N 0.469 121.004 120.400 0.224 0.000 2.491 862 K HA 0.596 4.916 4.320 -0.000 0.000 0.275 862 K C -1.496 175.202 176.600 0.163 0.000 0.982 862 K CA -0.993 55.360 56.287 0.110 0.000 0.794 862 K CB 1.224 33.667 32.500 -0.095 0.000 1.488 862 K HN 0.529 nan 8.250 nan 0.000 0.360 863 F N -1.333 118.607 119.950 -0.016 0.000 2.744 863 F HA 0.648 5.175 4.527 -0.000 0.000 0.311 863 F C -2.376 173.421 175.800 -0.005 0.000 1.144 863 F CA -1.241 56.739 58.000 -0.033 0.000 0.938 863 F CB 0.870 39.934 39.000 0.107 0.000 1.292 863 F HN 0.313 nan 8.300 nan 0.000 0.444 864 L N 2.021 123.343 121.223 0.166 0.000 2.333 864 L HA 0.713 5.053 4.340 -0.000 0.000 0.269 864 L C -0.630 176.498 176.870 0.431 0.000 1.010 864 L CA -0.837 54.077 54.840 0.123 0.000 0.818 864 L CB 1.797 43.822 42.059 -0.056 0.000 1.306 864 L HN 1.029 nan 8.230 nan 0.000 0.430 865 C N 2.039 121.601 119.300 0.437 0.000 3.173 865 C HA 0.292 4.752 4.460 -0.000 0.000 0.209 865 C C -0.438 174.705 174.990 0.255 0.000 1.229 865 C CA -0.848 58.406 59.018 0.394 0.000 1.109 865 C CB -1.013 27.070 27.740 0.572 0.000 1.833 865 C HN 0.785 nan 8.230 nan 0.000 0.626 866 D N 1.546 122.120 120.400 0.290 0.000 2.363 866 D HA 0.106 4.746 4.640 -0.000 0.000 0.240 866 D C 1.040 177.550 176.300 0.350 0.000 1.236 866 D CA 0.365 54.587 54.000 0.371 0.000 0.927 866 D CB 0.392 41.472 40.800 0.468 0.000 1.150 866 D HN 0.710 nan 8.370 nan 0.000 0.458 867 R N -1.386 119.393 120.500 0.466 0.000 3.358 867 R HA -0.247 4.093 4.340 -0.000 0.000 0.248 867 R C -0.918 175.657 176.300 0.459 0.000 0.981 867 R CA 0.979 57.359 56.100 0.467 0.000 0.662 867 R CB -2.376 28.176 30.300 0.420 0.000 1.037 867 R HN 0.385 nan 8.270 nan 0.000 0.460 868 T N -0.179 114.576 114.554 0.336 0.000 2.816 868 T HA 0.685 5.035 4.350 -0.000 0.000 0.299 868 T C -1.065 173.572 174.700 -0.105 0.000 1.230 868 T CA -0.807 61.392 62.100 0.165 0.000 1.007 868 T CB 1.305 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 1.825 122.921 121.223 -0.211 0.000 2.346 869 L HA 0.558 4.898 4.340 -0.000 0.000 0.276 869 L C -0.590 176.038 176.870 -0.403 0.000 1.006 869 L CA -0.927 53.648 54.840 -0.441 0.000 0.817 869 L CB 1.682 43.508 42.059 -0.389 0.000 1.272 869 L HN 0.702 nan 8.230 nan 0.000 0.421 870 W N 2.821 123.775 121.300 -0.576 0.000 2.181 870 W HA 0.328 4.988 4.660 -0.000 0.000 0.335 870 W C 0.290 176.438 176.519 -0.618 0.000 1.310 870 W CA -0.477 56.479 57.345 -0.649 0.000 1.226 870 W CB 0.612 29.353 29.460 -1.198 0.000 1.155 870 W HN 0.301 nan 8.180 nan 0.000 0.565 871 R N 3.243 123.637 120.500 -0.177 0.000 2.686 871 R HA 0.589 4.929 4.340 -0.000 0.000 0.286 871 R C -0.936 175.241 176.300 -0.205 0.000 0.969 871 R CA -0.950 55.034 56.100 -0.193 0.000 0.898 871 R CB 1.853 32.021 30.300 -0.221 0.000 1.183 871 R HN 0.425 nan 8.270 nan 0.000 0.456 872 I N 3.656 124.231 120.570 0.008 0.000 2.583 872 I HA 0.272 4.442 4.170 -0.000 0.000 0.276 872 I C -2.435 173.891 176.117 0.348 0.000 1.089 872 I CA -2.189 59.185 61.300 0.122 0.000 1.103 872 I CB 1.868 39.932 38.000 0.107 0.000 1.209 872 I HN 0.238 nan 8.210 nan 0.000 0.484 873 P HA 0.079 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 -0.219 63.019 63.100 0.230 0.000 0.781 873 P CB 0.662 32.462 31.700 0.166 0.000 0.906 874 F N 2.308 122.209 119.950 -0.081 0.000 2.669 874 F HA 0.294 4.821 4.527 -0.000 0.000 0.353 874 F C 0.396 176.226 175.800 0.049 0.000 1.192 874 F CA -0.143 57.794 58.000 -0.105 0.000 1.317 874 F CB -0.562 38.124 39.000 -0.523 0.000 1.652 874 F HN 0.088 nan 8.300 nan 0.000 0.608 875 S N 0.267 116.044 115.700 0.129 0.000 2.521 875 S HA 0.325 4.795 4.470 -0.000 0.000 0.295 875 S C 1.072 175.615 174.600 -0.096 0.000 1.098 875 S CA -0.044 58.152 58.200 -0.007 0.000 0.999 875 S CB 1.272 64.493 63.200 0.036 0.000 1.034 875 S HN 0.474 nan 8.310 nan 0.000 0.483 876 S N 3.553 119.165 115.700 -0.147 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 59.973 58.200 -0.213 0.000 1.013 876 S CB -0.733 62.378 63.200 -0.148 0.000 0.820 876 S HN 0.912 nan 8.310 nan 0.000 0.476 877 N N -0.783 117.778 118.700 -0.232 0.000 2.238 877 N HA 0.221 4.961 4.740 -0.000 0.000 0.235 877 N C -0.014 175.523 175.510 0.044 0.000 1.209 877 N CA -0.364 52.600 53.050 -0.142 0.000 0.879 877 N CB -0.675 37.797 38.487 -0.025 0.000 1.136 877 N HN 0.278 nan 8.380 nan 0.000 0.517 878 F N -1.373 118.642 119.950 0.108 0.000 2.825 878 F HA -0.294 4.233 4.527 -0.000 0.000 0.358 878 F C 0.447 176.261 175.800 0.024 0.000 0.639 878 F CA 0.614 58.662 58.000 0.079 0.000 1.153 878 F CB -2.048 36.974 39.000 0.037 0.000 1.610 878 F HN 0.121 nan 8.300 nan 0.000 0.305 879 M N -0.273 119.432 119.600 0.175 0.000 2.283 879 M HA 0.372 4.852 4.480 -0.000 0.000 0.314 879 M C 0.682 177.012 176.300 0.051 0.000 1.153 879 M CA -0.102 55.259 55.300 0.103 0.000 1.084 879 M CB 0.811 33.482 32.600 0.118 0.000 1.468 879 M HN -0.060 nan 8.290 nan 0.000 0.474 880 S N 2.057 117.770 115.700 0.022 0.000 2.399 880 S HA 0.402 4.872 4.470 -0.000 0.000 0.301 880 S C 0.223 174.831 174.600 0.013 0.000 1.093 880 S CA -0.450 57.751 58.200 0.002 0.000 1.077 880 S CB 0.169 63.357 63.200 -0.021 0.000 0.980 880 S HN 0.650 nan 8.310 nan 0.000 0.494 881 M N 2.269 121.877 119.600 0.012 0.000 2.416 881 M HA 0.330 4.810 4.480 -0.000 0.000 0.337 881 M C 0.603 176.912 176.300 0.015 0.000 1.074 881 M CA -0.196 55.113 55.300 0.014 0.000 0.968 881 M CB 0.915 33.521 32.600 0.010 0.000 1.472 881 M HN 0.814 nan 8.290 nan 0.000 0.539 882 G N -0.188 108.621 108.800 0.015 0.000 2.307 882 G HA2 0.283 4.243 3.960 -0.000 0.000 0.348 882 G HA3 0.283 4.243 3.960 -0.000 0.000 0.348 882 G C 0.094 175.016 174.900 0.037 0.000 1.603 882 G CA -0.509 44.607 45.100 0.026 0.000 0.961 882 G HN 0.082 nan 8.290 nan 0.000 0.686 883 A N 0.290 123.145 122.820 0.058 0.000 1.892 883 A HA 0.111 4.431 4.320 -0.000 0.000 0.218 883 A C 1.652 179.377 177.584 0.236 0.000 1.188 883 A CA 2.195 54.281 52.037 0.081 0.000 0.631 883 A CB -0.296 18.787 19.000 0.139 0.000 0.822 883 A HN 1.811 nan 8.150 nan 0.000 0.447 884 L N 2.106 123.501 121.223 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 0.278 55.275 54.840 0.263 0.000 0.875 884 L CB -0.302 41.802 42.059 0.075 0.000 1.246 884 L HN 0.410 nan 8.230 nan 0.000 0.439 885 T N -0.028 114.596 114.554 0.117 0.000 2.795 885 T HA 0.041 4.391 4.350 -0.000 0.000 0.314 885 T C 1.123 175.845 174.700 0.037 0.000 1.069 885 T CA 0.253 62.385 62.100 0.053 0.000 1.071 885 T CB 0.544 69.430 68.868 0.029 0.000 0.988 885 T HN 0.710 nan 8.240 nan 0.000 0.543 886 D N 1.484 121.882 120.400 -0.004 0.000 2.117 886 D HA -0.122 4.518 4.640 -0.000 0.000 0.198 886 D C 2.078 178.366 176.300 -0.019 0.000 0.982 886 D CA 1.181 55.173 54.000 -0.013 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 0.367 121.525 121.223 -0.108 0.000 2.072 887 L HA 0.076 4.416 4.340 -0.000 0.000 0.205 887 L C 2.705 179.589 176.870 0.023 0.000 1.079 887 L CA 1.302 56.015 54.840 -0.211 0.000 0.752 887 L CB -0.818 40.700 42.059 -0.902 0.000 0.906 887 L HN 0.213 nan 8.230 nan 0.000 0.436 888 G N -0.189 108.691 108.800 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 1.342 176.372 174.900 0.216 0.000 1.114 888 G CA 0.690 45.959 45.100 0.282 0.000 0.757 888 G HN 0.601 nan 8.290 nan 0.000 0.559 889 Q N -0.229 119.660 119.800 0.148 0.000 2.194 889 Q HA 0.135 4.475 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 -0.598 55.274 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 1.631 120.436 118.700 0.174 0.000 2.483 890 N HA 0.018 4.758 4.740 -0.000 0.000 0.264 890 N C 1.013 176.605 175.510 0.136 0.000 1.197 890 N CA 0.079 53.223 53.050 0.157 0.000 0.927 890 N CB 0.894 39.516 38.487 0.226 0.000 1.065 890 N HN 0.333 nan 8.380 nan 0.000 0.461 891 L N 3.063 124.323 121.223 0.062 0.000 2.081 891 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 891 L C 2.201 179.080 176.870 0.015 0.000 1.080 891 L CA 1.153 56.017 54.840 0.041 0.000 0.754 891 L CB -0.411 41.658 42.059 0.017 0.000 0.893 891 L HN 0.626 nan 8.230 nan 0.000 0.433 892 L N -1.813 119.367 121.223 -0.073 0.000 2.265 892 L HA -0.207 4.133 4.340 -0.000 0.000 0.215 892 L C 1.859 178.546 176.870 -0.305 0.000 1.117 892 L CA 1.763 56.469 54.840 -0.223 0.000 0.782 892 L CB -0.717 41.113 42.059 -0.383 0.000 0.914 892 L HN 0.098 nan 8.230 nan 0.000 0.441 893 Y N -0.840 119.501 120.300 0.068 0.000 2.462 893 Y HA 0.464 5.014 4.550 -0.000 0.000 0.261 893 Y C 2.242 178.254 175.900 0.186 0.000 1.146 893 Y CA 0.303 58.468 58.100 0.109 0.000 1.283 893 Y CB -0.174 38.359 38.460 0.123 0.000 1.090 893 Y HN 0.282 nan 8.280 nan 0.000 0.526 894 A N -0.145 122.812 122.820 0.228 0.000 1.963 894 A HA 0.031 4.351 4.320 -0.000 0.000 0.207 894 A C 1.597 179.250 177.584 0.115 0.000 1.243 894 A CA 0.534 52.670 52.037 0.165 0.000 0.728 894 A CB -0.256 18.817 19.000 0.122 0.000 0.895 894 A HN 0.210 nan 8.150 nan 0.000 0.467 895 N N 0.856 119.609 118.700 0.089 0.000 2.573 895 N HA -0.004 4.736 4.740 -0.000 0.000 0.187 895 N C 0.096 175.637 175.510 0.052 0.000 1.107 895 N CA 1.023 54.106 53.050 0.055 0.000 0.918 895 N CB -0.055 38.451 38.487 0.032 0.000 0.966 895 N HN 0.593 nan 8.380 nan 0.000 0.448 896 S N -2.284 113.473 115.700 0.096 0.000 2.587 896 S HA 0.734 5.204 4.470 -0.000 0.000 0.269 896 S C -1.173 173.486 174.600 0.100 0.000 1.154 896 S CA -1.070 57.152 58.200 0.037 0.000 0.824 896 S CB 1.479 64.638 63.200 -0.069 0.000 1.118 896 S HN 0.083 nan 8.310 nan 0.000 0.462 897 A N 1.408 124.216 122.820 -0.020 0.000 2.304 897 A HA 0.775 5.095 4.320 -0.000 0.000 0.301 897 A C -0.300 177.226 177.584 -0.097 0.000 1.132 897 A CA -0.450 51.632 52.037 0.075 0.000 0.819 897 A CB 0.276 19.291 19.000 0.026 0.000 1.094 897 A HN 0.835 nan 8.150 nan 0.000 0.492 898 H N -0.269 119.034 119.070 0.389 0.000 2.895 898 H HA 0.611 5.167 4.556 -0.000 0.000 0.373 898 H C -0.256 175.378 175.328 0.510 0.000 1.174 898 H CA -0.217 56.070 56.048 0.399 0.000 1.144 898 H CB 2.224 32.204 29.762 0.363 0.000 1.793 898 H HN 0.875 nan 8.280 nan 0.000 0.551 899 A N 1.875 124.965 122.820 0.450 0.000 2.306 899 A HA 0.571 4.891 4.320 -0.000 0.000 0.330 899 A C -0.988 176.734 177.584 0.229 0.000 1.146 899 A CA -0.536 51.696 52.037 0.325 0.000 0.827 899 A CB 1.016 20.128 19.000 0.185 0.000 1.178 899 A HN 0.440 nan 8.150 nan 0.000 0.490 900 L N 1.187 122.492 121.223 0.138 0.000 2.408 900 L HA 0.623 4.963 4.340 -0.000 0.000 0.268 900 L C -1.608 175.225 176.870 -0.062 0.000 0.986 900 L CA -0.196 54.555 54.840 -0.149 0.000 0.820 900 L CB 2.190 44.040 42.059 -0.348 0.000 1.303 900 L HN 0.673 nan 8.230 nan 0.000 0.411 901 D N 6.356 126.668 120.400 -0.147 0.000 2.505 901 D HA 0.509 5.149 4.640 -0.000 0.000 0.249 901 D C -0.868 175.331 176.300 -0.167 0.000 1.082 901 D CA -0.207 53.737 54.000 -0.093 0.000 0.839 901 D CB 2.321 43.089 40.800 -0.053 0.000 1.317 901 D HN 0.497 nan 8.370 nan 0.000 0.497 902 M N 0.980 120.491 119.600 -0.148 0.000 2.464 902 M HA 0.333 4.813 4.480 -0.000 0.000 0.308 902 M C -0.839 175.327 176.300 -0.224 0.000 1.127 902 M CA -0.569 54.570 55.300 -0.267 0.000 0.913 902 M CB 2.664 35.106 32.600 -0.263 0.000 1.689 902 M HN 0.072 nan 8.290 nan 0.000 0.445 903 T N 2.759 117.103 114.554 -0.349 0.000 2.906 903 T HA 0.585 4.935 4.350 -0.000 0.000 0.302 903 T C -1.026 173.471 174.700 -0.337 0.000 1.002 903 T CA -0.389 61.580 62.100 -0.218 0.000 0.988 903 T CB 0.478 69.268 68.868 -0.130 0.000 0.972 903 T HN 0.269 nan 8.240 nan 0.000 0.447 904 F N 1.708 121.579 119.950 -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 57.031 58.000 -0.100 0.000 1.038 904 F CB 1.366 40.326 39.000 -0.067 0.000 1.156 904 F HN 0.410 nan 8.300 nan 0.000 0.483 905 E N 2.659 122.938 120.200 0.131 0.000 2.185 905 E HA 0.551 4.901 4.350 -0.000 0.000 0.261 905 E C -1.364 175.254 176.600 0.029 0.000 0.879 905 E CA -0.620 55.810 56.400 0.050 0.000 0.756 905 E CB 1.832 31.537 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 -1.058 61.147 62.300 -0.158 0.000 1.014 906 V CB 1.989 33.607 31.823 -0.342 0.000 1.057 906 V HN 0.453 nan 8.190 nan 0.000 0.438 907 D N 2.602 122.929 120.400 -0.122 0.000 2.372 907 D HA 0.396 5.035 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 -0.830 53.129 54.000 -0.067 0.000 0.898 907 D CB 1.162 41.934 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 -0.489 176.802 177.300 -0.015 0.000 1.239 908 P CA -0.187 62.898 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 1.936 121.525 119.600 -0.018 0.000 2.395 909 M HA 0.190 4.670 4.480 -0.000 0.000 0.307 909 M C 0.251 176.555 176.300 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 0.656 121.070 120.400 0.023 0.000 2.355 910 D HA -0.040 4.600 4.640 -0.000 0.000 0.253 910 D C -0.221 176.088 176.300 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 -1.448 118.758 120.200 0.009 0.000 2.390 911 E HA 0.453 4.803 4.350 -0.000 0.000 0.277 911 E C -3.177 173.420 176.600 -0.005 0.000 0.939 911 E CA -2.560 53.842 56.400 0.004 0.000 0.769 911 E CB 1.529 31.235 29.700 0.011 0.000 1.251 911 E HN -0.232 nan 8.360 nan 0.000 0.450 912 P HA 0.043 nan 4.420 nan 0.000 0.267 912 P C -0.437 176.854 177.300 -0.015 0.000 1.205 912 P CA 0.284 63.376 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 0.741 115.285 114.554 -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 61.201 62.100 -0.019 0.000 1.020 913 T CB 0.907 69.751 68.868 -0.040 0.000 1.317 913 T HN 0.151 nan 8.240 nan 0.000 0.538 914 L N 0.637 121.863 121.223 0.006 0.000 2.422 914 L HA 0.622 4.962 4.340 -0.000 0.000 0.264 914 L C -1.311 175.607 176.870 0.080 0.000 0.984 914 L CA -1.243 53.619 54.840 0.038 0.000 0.819 914 L CB 2.259 44.331 42.059 0.022 0.000 1.330 914 L HN 0.653 nan 8.230 nan 0.000 0.410 915 L N 2.850 124.140 121.223 0.112 0.000 2.255 915 L HA 0.394 4.734 4.340 -0.000 0.000 0.289 915 L C -1.106 175.923 176.870 0.265 0.000 1.046 915 L CA -0.097 54.816 54.840 0.122 0.000 0.816 915 L CB 0.567 42.588 42.059 -0.062 0.000 1.197 915 L HN 0.433 nan 8.230 nan 0.000 0.427 916 Y N 6.052 126.424 120.300 0.121 0.000 2.404 916 Y HA 0.569 5.119 4.550 -0.000 0.000 0.344 916 Y C -1.062 174.917 175.900 0.132 0.000 0.970 916 Y CA -1.291 56.892 58.100 0.139 0.000 1.180 916 Y CB 0.883 39.429 38.460 0.144 0.000 1.138 916 Y HN 0.357 nan 8.280 nan 0.000 0.510 917 V N 7.670 127.785 119.914 0.336 0.000 2.417 917 V HA 0.364 4.484 4.120 -0.000 0.000 0.291 917 V C -0.254 175.854 176.094 0.023 0.000 1.024 917 V CA -1.003 61.351 62.300 0.091 0.000 0.861 917 V CB 1.623 33.527 31.823 0.135 0.000 0.985 917 V HN 0.578 nan 8.190 nan 0.000 0.436 918 L N 4.924 126.034 121.223 -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 -0.163 0.000 1.033 918 L CA -0.092 54.667 54.840 -0.135 0.000 0.814 918 L CB 1.124 43.044 42.059 -0.232 0.000 1.203 918 L HN 0.523 nan 8.230 nan 0.000 0.423 919 F N 1.833 121.750 119.950 -0.055 0.000 2.335 919 F HA 0.224 4.751 4.527 -0.000 0.000 0.365 919 F C 0.970 176.690 175.800 -0.133 0.000 1.122 919 F CA -0.600 57.359 58.000 -0.068 0.000 1.151 919 F CB 0.678 39.465 39.000 -0.355 0.000 1.282 919 F HN 0.446 nan 8.300 nan 0.000 0.513 920 E N 3.581 123.712 120.200 -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 -0.215 56.029 56.400 -0.259 0.000 0.911 920 E CB 0.889 30.354 29.700 -0.392 0.000 0.986 920 E HN 0.484 nan 8.360 nan 0.000 0.446 921 V N -0.088 119.709 119.914 -0.194 0.000 3.065 921 V HA 0.562 4.682 4.120 -0.000 0.000 0.312 921 V C -1.345 174.562 176.094 -0.311 0.000 1.412 921 V CA -1.156 61.088 62.300 -0.093 0.000 1.039 921 V CB 1.086 32.978 31.823 0.116 0.000 1.077 921 V HN 0.413 nan 8.190 nan 0.000 0.473 922 F N 1.204 121.150 119.950 -0.008 0.000 2.411 922 F HA 0.696 5.223 4.527 -0.000 0.000 0.352 922 F C -0.067 175.725 175.800 -0.013 0.000 1.123 922 F CA -0.184 57.799 58.000 -0.029 0.000 1.044 922 F CB 1.293 40.288 39.000 -0.007 0.000 1.135 922 F HN 0.576 nan 8.300 nan 0.000 0.461 923 D N 3.976 124.399 120.400 0.038 0.000 2.438 923 D HA 0.474 5.114 4.640 -0.000 0.000 0.257 923 D C -1.086 175.209 176.300 -0.009 0.000 1.148 923 D CA 0.023 54.019 54.000 -0.007 0.000 0.902 923 D CB 1.111 41.790 40.800 -0.201 0.000 1.062 923 D HN 0.187 nan 8.370 nan 0.000 0.518 924 V N 2.190 122.228 119.914 0.206 0.000 3.001 924 V HA 0.674 4.794 4.120 -0.000 0.000 0.314 924 V C -0.101 176.155 176.094 0.271 0.000 1.099 924 V CA -0.852 61.607 62.300 0.264 0.000 0.989 924 V CB 2.358 34.285 31.823 0.174 0.000 1.040 924 V HN 0.256 nan 8.190 nan 0.000 0.434 925 V N 1.807 121.833 119.914 0.187 0.000 2.841 925 V HA 0.636 4.756 4.120 -0.000 0.000 0.310 925 V C -0.519 175.550 176.094 -0.042 0.000 1.090 925 V CA -0.848 61.387 62.300 -0.108 0.000 0.930 925 V CB 2.114 33.692 31.823 -0.409 0.000 1.014 925 V HN 0.848 nan 8.190 nan 0.000 0.425 926 R N 1.968 122.418 120.500 -0.084 0.000 2.439 926 R HA 0.727 5.067 4.340 -0.000 0.000 0.310 926 R C -1.751 174.541 176.300 -0.014 0.000 0.955 926 R CA -0.366 55.709 56.100 -0.041 0.000 0.853 926 R CB 1.996 32.278 30.300 -0.031 0.000 1.171 926 R HN 0.629 nan 8.270 nan 0.000 0.449 927 V N 4.675 124.606 119.914 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 0.075 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 5.508 124.586 119.070 0.015 0.000 2.466 928 H HA 0.554 5.110 4.556 -0.000 0.000 0.338 928 H C -0.424 174.918 175.328 0.024 0.000 1.091 928 H CA -0.830 55.224 56.048 0.009 0.000 1.207 928 H CB 1.372 31.139 29.762 0.008 0.000 1.466 928 H HN 0.570 nan 8.280 nan 0.000 0.493 929 R N 5.881 126.159 120.500 -0.369 0.000 2.738 929 R HA 0.186 4.526 4.340 -0.000 0.000 0.280 929 R C -1.996 174.069 176.300 -0.391 0.000 1.456 929 R CA -1.691 54.258 56.100 -0.252 0.000 1.612 929 R CB 0.482 30.737 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 -0.519 176.344 177.300 -0.728 0.000 1.153 930 P CA 1.507 64.200 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 -3.853 115.180 119.070 -0.061 0.000 2.977 931 H HA 0.387 4.943 4.556 -0.000 0.000 0.350 931 H C -0.008 175.314 175.328 -0.010 0.000 1.238 931 H CA -1.119 54.915 56.048 -0.024 0.000 1.124 931 H CB 0.868 30.623 29.762 -0.011 0.000 1.866 931 H HN -0.246 nan 8.280 nan 0.000 0.550 932 R N 1.024 121.606 120.500 0.138 0.000 2.494 932 R HA 0.060 4.400 4.340 -0.000 0.000 0.291 932 R C 0.309 176.609 176.300 0.000 0.000 0.953 932 R CA 1.410 57.543 56.100 0.054 0.000 1.098 932 R CB -0.517 29.801 30.300 0.031 0.000 0.911 932 R HN 1.096 nan 8.270 nan 0.000 0.407 933 G N 2.603 111.354 108.800 -0.083 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 -0.386 174.469 174.900 -0.074 0.000 1.047 933 G CA 0.272 45.205 45.100 -0.280 0.000 0.869 933 G HN 0.489 nan 8.290 nan 0.000 0.502 934 V N 1.119 121.081 119.914 0.080 0.000 2.488 934 V HA 0.565 4.685 4.120 -0.000 0.000 0.293 934 V C 0.170 176.355 176.094 0.152 0.000 1.027 934 V CA -0.763 61.609 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 0.402 nan 8.190 nan 0.000 0.428 935 I N 3.205 123.883 120.570 0.180 0.000 2.411 935 I HA 0.618 4.788 4.170 -0.000 0.000 0.284 935 I C -0.291 175.912 176.117 0.143 0.000 1.012 935 I CA -0.530 60.863 61.300 0.155 0.000 1.119 935 I CB 1.678 39.777 38.000 0.165 0.000 1.261 935 I HN 0.505 nan 8.210 nan 0.000 0.448 936 E N 4.558 124.844 120.200 0.143 0.000 2.183 936 E HA 0.569 4.919 4.350 -0.000 0.000 0.271 936 E C -0.595 176.094 176.600 0.148 0.000 0.919 936 E CA -0.749 55.747 56.400 0.160 0.000 0.781 936 E CB 2.444 32.260 29.700 0.193 0.000 1.140 936 E HN 0.711 nan 8.360 nan 0.000 0.402 937 T N -1.591 113.048 114.554 0.141 0.000 2.908 937 T HA 0.625 4.975 4.350 -0.000 0.000 0.290 937 T C -0.556 174.208 174.700 0.107 0.000 1.034 937 T CA -0.824 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 2.690 122.615 119.914 0.018 0.000 2.380 938 V HA 0.379 4.499 4.120 -0.000 0.000 0.286 938 V C -1.388 174.729 176.094 0.038 0.000 1.015 938 V CA -0.906 61.437 62.300 0.071 0.000 0.834 938 V CB 0.417 32.266 31.823 0.043 0.000 1.009 938 V HN 0.886 nan 8.190 nan 0.000 0.428 939 Y N 4.943 125.312 120.300 0.116 0.000 2.334 939 Y HA 0.744 5.294 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 -0.823 57.368 58.100 0.152 0.000 1.163 939 Y CB 1.758 40.324 38.460 0.177 0.000 1.207 939 Y HN 0.527 nan 8.280 nan 0.000 0.471 940 L N 4.491 125.890 121.223 0.292 0.000 2.516 940 L HA 0.514 4.854 4.340 -0.000 0.000 0.267 940 L C -1.378 175.621 176.870 0.215 0.000 0.957 940 L CA -0.803 54.159 54.840 0.203 0.000 0.860 940 L CB 1.560 43.694 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 0.729 5.069 4.340 -0.000 0.000 0.312 941 R C -1.496 174.906 176.300 0.171 0.000 0.980 941 R CA -0.035 56.180 56.100 0.191 0.000 0.867 941 R CB 1.153 31.568 30.300 0.192 0.000 1.163 941 R HN 0.835 nan 8.270 nan 0.000 0.492 942 T N 2.270 116.943 114.554 0.198 0.000 2.916 942 T HA 0.507 4.857 4.350 -0.000 0.000 0.298 942 T C -2.730 172.143 174.700 0.287 0.000 1.031 942 T CA -1.887 60.326 62.100 0.188 0.000 0.993 942 T CB 2.322 71.260 68.868 0.117 0.000 1.045 942 T HN 0.227 nan 8.240 nan 0.000 0.454 943 P HA 0.439 nan 4.420 nan 0.000 0.312 943 P C -0.234 177.207 177.300 0.236 0.000 1.307 943 P CA -0.586 62.603 63.100 0.149 0.000 0.738 943 P CB -0.128 31.571 31.700 -0.001 0.000 1.422 944 F N -3.042 116.799 119.950 -0.182 0.000 2.905 944 F HA -0.184 4.343 4.527 -0.000 0.000 0.291 944 F C 0.197 175.960 175.800 -0.063 0.000 1.002 944 F CA 0.189 58.093 58.000 -0.160 0.000 0.978 944 F CB -2.784 36.129 39.000 -0.146 0.000 1.036 944 F HN -0.077 nan 8.300 nan 0.000 0.820 945 S N 0.065 115.784 115.700 0.031 0.000 2.562 945 S HA 0.642 5.112 4.470 -0.000 0.000 0.281 945 S C 0.745 175.379 174.600 0.057 0.000 1.333 945 S CA -0.329 57.904 58.200 0.056 0.000 1.052 945 S CB 1.401 64.614 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