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_M 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 32.161 32.600 -0.732 0.000 1.302 6 M N 0.568 119.726 119.600 -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 -0.152 0.000 0.705 6 M CA 2.897 58.019 55.300 -0.297 0.000 0.949 6 M CB -2.937 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 -2.191 117.611 119.800 0.003 0.000 2.096 8 Q HA -0.197 4.143 4.340 0.000 0.000 0.204 8 Q C 2.306 178.471 176.000 0.276 0.000 0.982 8 Q CA 1.536 57.414 55.803 0.125 0.000 0.850 8 Q CB -0.660 28.155 28.738 0.128 0.000 0.901 8 Q HN 0.339 nan 8.270 nan 0.000 0.422 9 W N 1.246 122.555 121.300 0.015 0.000 2.333 9 W HA -0.164 4.496 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 1.340 58.691 57.345 0.009 0.000 1.278 9 W CB -1.245 28.226 29.460 0.018 0.000 1.154 9 W HN 0.125 nan 8.180 nan 0.000 0.486 10 S N -1.046 114.784 115.700 0.215 0.000 2.368 10 S HA -0.239 4.231 4.470 0.000 0.000 0.224 10 S C 1.666 176.172 174.600 -0.156 0.000 1.029 10 S CA 1.300 59.542 58.200 0.070 0.000 0.988 10 S CB -1.304 61.946 63.200 0.083 0.000 0.838 10 S HN 0.263 nan 8.310 nan 0.000 0.462 11 Y N 2.143 122.328 120.300 -0.191 0.000 2.128 11 Y HA -0.072 4.478 4.550 0.000 0.000 0.284 11 Y C 2.118 177.742 175.900 -0.459 0.000 1.154 11 Y CA 1.439 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 -0.732 118.766 119.600 -0.169 0.000 2.618 12 M HA -0.018 4.462 4.480 0.000 0.000 0.240 12 M C 0.072 176.286 176.300 -0.144 0.000 1.123 12 M CA 0.890 56.100 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 -1.971 117.062 119.070 -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 -2.259 27.450 29.762 -0.089 0.000 1.243 13 H HN 0.367 nan 8.280 nan 0.000 0.328 14 I N 0.455 121.055 120.570 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 1.513 62.773 61.300 -0.068 0.000 1.445 14 I CB 0.195 38.048 38.000 -0.244 0.000 1.086 14 I HN 0.420 nan 8.210 nan 0.000 0.433 15 S N -1.474 114.267 115.700 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 0.178 0.000 1.174 15 S CA -0.158 58.116 58.200 0.123 0.000 0.823 15 S CB 1.521 64.845 63.200 0.207 0.000 1.162 15 S HN 0.486 nan 8.310 nan 0.000 0.487 16 G N 0.717 109.620 108.800 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 -0.959 174.053 174.900 0.188 0.000 1.237 16 G CA -0.168 45.039 45.100 0.178 0.000 0.954 16 G HN 1.047 nan 8.290 nan 0.000 0.580 17 Q N 0.464 120.408 119.800 0.240 0.000 2.382 17 Q HA 0.504 4.844 4.340 0.000 0.000 0.229 17 Q C -0.604 175.564 176.000 0.281 0.000 1.006 17 Q CA -0.423 55.523 55.803 0.238 0.000 0.916 17 Q CB 0.690 29.574 28.738 0.243 0.000 1.235 17 Q HN 0.511 nan 8.270 nan 0.000 0.512 18 D N -0.368 120.081 120.400 0.081 0.000 2.283 18 D HA 0.194 4.834 4.640 0.000 0.000 0.248 18 D C 0.591 176.609 176.300 -0.470 0.000 1.072 18 D CA -0.046 53.908 54.000 -0.076 0.000 0.929 18 D CB 1.399 42.150 40.800 -0.082 0.000 1.182 18 D HN 0.647 nan 8.370 nan 0.000 0.433 19 A N 1.433 123.820 122.820 -0.721 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 2.606 53.897 52.037 -1.243 0.000 0.642 19 A CB -0.769 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 -0.082 115.357 115.700 -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 1.501 59.535 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 0.336 120.403 120.200 -0.222 0.000 2.251 21 E HA 0.062 4.412 4.350 0.000 0.000 0.194 21 E C 1.860 178.436 176.600 -0.039 0.000 0.964 21 E CA 0.700 57.043 56.400 -0.096 0.000 0.868 21 E CB -0.299 29.387 29.700 -0.023 0.000 0.828 21 E HN 0.866 nan 8.360 nan 0.000 0.481 22 Y N 0.880 121.152 120.300 -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 -0.158 57.927 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 0.818 116.474 115.700 -0.075 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 57.102 58.200 -0.046 0.000 1.028 24 S CB 1.026 64.210 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 1.700 178.989 177.300 -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 31.142 31.700 -0.019 0.000 0.787 26 G N 0.322 109.118 108.800 -0.006 0.000 2.418 26 G HA2 -0.246 3.714 3.960 0.000 0.000 0.217 26 G HA3 -0.246 3.714 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 0.633 45.746 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 0.012 4.352 4.340 0.000 0.000 0.208 27 L C 2.907 179.773 176.870 -0.005 0.000 1.077 27 L CA 1.412 56.233 54.840 -0.033 0.000 0.747 27 L CB -0.586 41.395 42.059 -0.131 0.000 0.896 27 L HN 0.076 nan 8.230 nan 0.000 0.432 28 V N -0.096 119.778 119.914 -0.068 0.000 2.287 28 V HA -0.374 3.746 4.120 0.000 0.000 0.248 28 V C 3.108 179.195 176.094 -0.011 0.000 1.053 28 V CA 2.378 64.630 62.300 -0.079 0.000 1.027 28 V CB -1.408 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 2.056 178.091 176.000 0.059 0.000 0.986 29 Q CA 2.349 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 1.373 121.304 119.950 -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 59.692 58.000 -0.017 0.000 1.232 30 F CB -0.668 38.331 39.000 -0.002 0.000 0.987 30 F HN 0.350 nan 8.300 nan 0.000 0.475 31 A N 0.592 123.584 122.820 0.286 0.000 1.883 31 A HA -0.238 4.082 4.320 0.000 0.000 0.217 31 A C 2.425 180.003 177.584 -0.009 0.000 1.186 31 A CA 2.990 55.124 52.037 0.161 0.000 0.624 31 A CB -1.555 17.496 19.000 0.086 0.000 0.822 31 A HN 0.478 nan 8.150 nan 0.000 0.444 32 R N -0.817 119.662 120.500 -0.034 0.000 2.096 32 R HA 0.163 4.503 4.340 0.000 0.000 0.235 32 R C 2.484 178.717 176.300 -0.112 0.000 1.127 32 R CA 2.216 58.276 56.100 -0.067 0.000 0.968 32 R CB -1.645 28.625 30.300 -0.051 0.000 0.861 32 R HN 0.966 nan 8.270 nan 0.000 0.440 33 A N 0.660 123.384 122.820 -0.159 0.000 1.970 33 A HA -0.061 4.259 4.320 0.000 0.000 0.216 33 A C 2.517 179.905 177.584 -0.328 0.000 1.170 33 A CA 2.037 53.953 52.037 -0.202 0.000 0.645 33 A CB -0.489 18.387 19.000 -0.207 0.000 0.816 33 A HN 0.674 nan 8.150 nan 0.000 0.447 34 T N -3.343 110.911 114.554 -0.502 0.000 3.067 34 T HA 0.238 4.588 4.350 0.000 0.000 0.257 34 T C 1.707 176.010 174.700 -0.662 0.000 1.105 34 T CA 1.486 63.078 62.100 -0.846 0.000 1.104 34 T CB -0.347 68.134 68.868 -0.646 0.000 0.925 34 T HN 0.614 nan 8.240 nan 0.000 0.498 35 E N 2.518 122.529 120.200 -0.314 0.000 2.170 35 E HA -0.347 4.003 4.350 0.000 0.000 0.229 35 E C 2.227 178.731 176.600 -0.162 0.000 1.074 35 E CA 2.909 59.200 56.400 -0.182 0.000 0.930 35 E CB -2.263 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 -2.332 112.144 114.554 -0.131 0.000 3.007 36 T HA -0.031 4.319 4.350 0.000 0.000 0.270 36 T C 1.814 176.564 174.700 0.083 0.000 1.107 36 T CA 1.622 63.718 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 -1.642 118.689 120.300 0.052 0.000 2.423 37 Y HA 0.686 5.236 4.550 0.000 0.000 0.257 37 Y C 0.160 176.188 175.900 0.213 0.000 1.087 37 Y CA -2.071 56.086 58.100 0.095 0.000 1.258 37 Y CB 0.642 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 2.036 121.894 119.950 -0.155 0.000 3.240 38 F HA 0.463 4.990 4.527 0.000 0.000 0.370 38 F C -0.858 174.902 175.800 -0.066 0.000 1.271 38 F CA -1.395 56.580 58.000 -0.042 0.000 1.224 38 F CB 0.936 39.968 39.000 0.052 0.000 1.624 38 F HN -0.007 nan 8.300 nan 0.000 0.658 39 S N 5.862 121.336 115.700 -0.377 0.000 2.525 39 S HA 0.593 5.063 4.470 0.000 0.000 0.278 39 S C 0.142 174.588 174.600 -0.256 0.000 1.234 39 S CA -0.539 57.514 58.200 -0.244 0.000 1.058 39 S CB 1.260 64.375 63.200 -0.141 0.000 0.983 39 S HN 0.754 nan 8.310 nan 0.000 0.495 40 L N 2.953 124.157 121.223 -0.032 0.000 2.766 40 L HA 0.262 4.602 4.340 0.000 0.000 0.242 40 L C 2.716 179.681 176.870 0.159 0.000 1.136 40 L CA 0.413 55.313 54.840 0.101 0.000 0.933 40 L CB -1.174 41.085 42.059 0.332 0.000 1.241 40 L HN 0.870 nan 8.230 nan 0.000 0.522 41 N N 1.726 120.471 118.700 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 -0.919 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 0.378 175.794 175.510 -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 -0.514 119.712 120.400 -0.290 0.000 2.387 43 K HA 0.185 4.505 4.320 0.000 0.000 0.203 43 K C -0.824 175.258 176.600 -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 56.747 58.000 0.016 0.000 0.940 44 F CB 1.362 40.352 39.000 -0.018 0.000 1.194 44 F HN -0.091 nan 8.300 nan 0.000 0.438 45 R N 1.578 122.181 120.500 0.172 0.000 2.539 45 R HA 0.444 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 55.665 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 3.533 122.278 118.700 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 1.819 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 -0.428 176.890 177.300 0.032 0.000 1.223 47 P CA -0.107 63.029 63.100 0.061 0.000 0.784 47 P CB 0.505 32.262 31.700 0.094 0.000 0.923 48 T N -1.357 113.199 114.554 0.005 0.000 2.906 48 T HA 0.496 4.846 4.350 0.000 0.000 0.302 48 T C -0.582 174.107 174.700 -0.018 0.000 1.002 48 T CA -0.685 61.413 62.100 -0.003 0.000 0.988 48 T CB 0.317 69.180 68.868 -0.009 0.000 0.972 48 T HN 0.109 nan 8.240 nan 0.000 0.447 49 V N 2.833 122.744 119.914 -0.005 0.000 2.384 49 V HA 0.774 4.894 4.120 0.000 0.000 0.287 49 V C 0.848 176.940 176.094 -0.004 0.000 1.020 49 V CA -1.045 61.249 62.300 -0.009 0.000 0.850 49 V CB 1.127 32.961 31.823 0.018 0.000 0.987 49 V HN 1.233 nan 8.190 nan 0.000 0.436 50 A N 7.101 129.915 122.820 -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 -0.934 51.100 52.037 -0.005 0.000 0.789 50 A CB -0.289 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 0.566 177.830 177.300 -0.059 0.000 1.228 51 P CA 0.054 63.109 63.100 -0.075 0.000 0.786 51 P CB 0.732 32.367 31.700 -0.108 0.000 0.927 52 T N -2.571 111.934 114.554 -0.082 0.000 3.023 52 T HA 0.163 4.513 4.350 0.000 0.000 0.253 52 T C 0.363 175.111 174.700 0.081 0.000 1.038 52 T CA 0.062 62.179 62.100 0.028 0.000 0.962 52 T CB -0.656 68.280 68.868 0.114 0.000 1.018 52 T HN 0.721 nan 8.240 nan 0.000 0.521 53 H N -1.916 117.185 119.070 0.052 0.000 3.016 53 H HA 0.630 5.186 4.556 0.000 0.000 0.362 53 H C -0.931 174.432 175.328 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 0.417 120.940 120.400 0.205 0.000 2.870 54 D HA -0.149 4.491 4.640 0.000 0.000 0.228 54 D C 0.228 176.598 176.300 0.118 0.000 1.147 54 D CA 1.132 55.229 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 -1.311 118.677 119.914 0.125 0.000 3.161 55 V HA 0.094 4.214 4.120 0.000 0.000 0.221 55 V C 1.096 177.346 176.094 0.259 0.000 1.296 55 V CA 1.217 63.627 62.300 0.183 0.000 1.306 55 V CB 1.036 32.949 31.823 0.149 0.000 1.171 55 V HN 0.119 nan 8.190 nan 0.000 0.513 56 T N 1.013 115.653 114.554 0.142 0.000 2.932 56 T HA 0.496 4.846 4.350 0.000 0.000 0.289 56 T C -0.159 174.566 174.700 0.042 0.000 1.039 56 T CA -0.219 61.923 62.100 0.071 0.000 1.024 56 T CB 1.810 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 1.063 115.620 114.554 0.004 0.000 2.882 57 T HA 0.271 4.621 4.350 0.000 0.000 0.287 57 T C 0.321 174.978 174.700 -0.072 0.000 1.014 57 T CA -0.690 61.366 62.100 -0.073 0.000 1.049 57 T CB 0.748 69.533 68.868 -0.137 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 0.672 176.927 176.300 -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 41.160 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 0.306 4.646 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 -0.194 55.842 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 0.855 116.541 115.700 -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 58.227 58.200 -0.009 0.000 1.063 60 S CB 0.120 63.317 63.200 -0.005 0.000 0.881 60 S HN 0.464 nan 8.310 nan 0.000 0.493 61 Q N 3.217 123.016 119.800 -0.002 0.000 2.518 61 Q HA 0.217 4.557 4.340 0.000 0.000 0.254 61 Q C -1.348 174.645 176.000 -0.012 0.000 0.962 61 Q CA -0.767 55.035 55.803 -0.002 0.000 0.982 61 Q CB 0.779 29.537 28.738 0.034 0.000 1.516 61 Q HN 0.584 nan 8.270 nan 0.000 0.426 62 R N 3.021 123.502 120.500 -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 0.116 56.209 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 0.441 121.707 121.223 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 0.486 nan 8.230 nan 0.000 0.452 64 T N 1.403 116.068 114.554 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 61.873 62.100 0.228 0.000 0.967 64 T CB 2.178 71.187 68.868 0.234 0.000 0.960 64 T HN -0.093 nan 8.240 nan 0.000 0.441 65 L N 3.090 124.388 121.223 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 -0.406 0.000 1.008 65 L CA -1.194 53.546 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 1.404 121.500 120.500 -0.672 0.000 2.561 66 R HA 0.647 4.987 4.340 0.000 0.000 0.297 66 R C -1.979 173.865 176.300 -0.759 0.000 0.969 66 R CA -0.488 55.102 56.100 -0.849 0.000 0.879 66 R CB 1.445 31.119 30.300 -1.045 0.000 1.178 66 R HN 0.300 nan 8.270 nan 0.000 0.445 67 F N 3.518 123.333 119.950 -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 56.794 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 4.043 124.832 120.570 0.365 0.000 2.488 68 I HA 0.333 4.503 4.170 0.000 0.000 0.299 68 I C -2.169 174.131 176.117 0.304 0.000 0.984 68 I CA -3.556 57.922 61.300 0.297 0.000 1.250 68 I CB 0.803 38.885 38.000 0.136 0.000 1.389 68 I HN 0.286 nan 8.210 nan 0.000 0.488 69 P HA 0.110 nan 4.420 nan 0.000 0.271 69 P C 0.851 178.055 177.300 -0.159 0.000 1.216 69 P CA -0.033 62.840 63.100 -0.380 0.000 0.771 69 P CB 1.162 32.550 31.700 -0.520 0.000 0.864 70 V N 1.506 121.319 119.914 -0.169 0.000 2.649 70 V HA -0.040 4.080 4.120 0.000 0.000 0.248 70 V C 0.550 176.587 176.094 -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 -1.253 119.053 120.400 -0.156 0.000 2.977 71 D HA 0.582 5.222 4.640 0.000 0.000 0.220 71 D C -0.423 175.765 176.300 -0.186 0.000 1.267 71 D CA -0.081 53.834 54.000 -0.142 0.000 0.884 71 D CB 1.400 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 2.017 122.415 120.500 -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 31.406 30.300 -0.156 0.000 1.197 72 R HN 0.577 nan 8.270 nan 0.000 0.463 73 E N 1.817 121.766 120.200 -0.420 0.000 2.502 73 E HA 0.145 4.495 4.350 0.000 0.000 0.261 73 E C -1.659 174.610 176.600 -0.552 0.000 0.974 73 E CA -0.874 55.295 56.400 -0.386 0.000 0.795 73 E CB 1.833 31.381 29.700 -0.253 0.000 1.385 73 E HN 0.629 nan 8.360 nan 0.000 0.400 74 D N 2.333 122.405 120.400 -0.546 0.000 2.344 74 D HA 0.140 4.780 4.640 0.000 0.000 0.253 74 D C -0.447 175.734 176.300 -0.197 0.000 1.255 74 D CA 0.486 54.233 54.000 -0.421 0.000 0.894 74 D CB 0.930 41.612 40.800 -0.197 0.000 1.067 74 D HN 0.155 nan 8.370 nan 0.000 0.492 75 T N 1.511 115.969 114.554 -0.160 0.000 2.889 75 T HA 0.528 4.878 4.350 0.000 0.000 0.278 75 T C 1.417 176.028 174.700 -0.148 0.000 0.995 75 T CA -0.031 61.960 62.100 -0.181 0.000 0.966 75 T CB 1.409 70.115 68.868 -0.271 0.000 1.237 75 T HN 0.301 nan 8.240 nan 0.000 0.591 76 A N 0.346 123.034 122.820 -0.220 0.000 1.873 76 A HA -0.107 4.213 4.320 0.000 0.000 0.218 76 A C 1.448 178.996 177.584 -0.060 0.000 1.193 76 A CA 2.164 54.115 52.037 -0.143 0.000 0.629 76 A CB -0.875 18.052 19.000 -0.122 0.000 0.826 76 A HN 0.931 nan 8.150 nan 0.000 0.447 77 Y N -1.770 118.532 120.300 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 0.349 nan 8.280 nan 0.000 0.544 78 S N -0.949 114.789 115.700 0.063 0.000 2.656 78 S HA 0.652 5.122 4.470 0.000 0.000 0.273 78 S C -2.044 172.717 174.600 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 65.664 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 0.236 0.000 2.386 79 Y HA 0.670 5.220 4.550 0.000 0.000 0.334 79 Y C -0.809 175.201 175.900 0.184 0.000 1.002 79 Y CA -0.491 57.719 58.100 0.183 0.000 1.068 79 Y CB 1.885 40.477 38.460 0.220 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 -1.622 174.996 176.600 0.031 0.000 0.961 80 K CA -0.562 55.750 56.287 0.042 0.000 0.833 80 K CB 1.193 33.627 32.500 -0.109 0.000 1.102 80 K HN 0.668 nan 8.250 nan 0.000 0.436 81 A N 4.346 127.236 122.820 0.116 0.000 2.343 81 A HA 0.564 4.884 4.320 0.000 0.000 0.308 81 A C -1.213 176.243 177.584 -0.213 0.000 1.092 81 A CA -0.798 51.199 52.037 -0.067 0.000 0.751 81 A CB 1.082 20.096 19.000 0.024 0.000 1.203 81 A HN 0.785 nan 8.150 nan 0.000 0.452 82 R N 2.289 122.535 120.500 -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 -0.462 0.000 0.955 82 R CA -0.313 55.620 56.100 -0.278 0.000 0.851 82 R CB 0.811 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 0.119 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 3.231 117.947 114.554 0.270 0.000 3.149 84 T HA 0.276 4.626 4.350 0.000 0.000 0.373 84 T C -0.710 173.958 174.700 -0.053 0.000 1.364 84 T CA -0.317 61.866 62.100 0.138 0.000 1.110 84 T CB -0.029 68.916 68.868 0.129 0.000 1.127 84 T HN 0.352 nan 8.240 nan 0.000 0.576 85 L N 4.152 125.311 121.223 -0.105 0.000 2.485 85 L HA 0.570 4.910 4.340 0.000 0.000 0.279 85 L C 0.109 176.920 176.870 -0.099 0.000 1.124 85 L CA -0.303 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 5.518 128.274 122.820 -0.106 0.000 2.271 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 1.245 86 A CA -0.598 51.547 52.037 0.180 0.000 0.857 86 A CB 1.027 20.152 19.000 0.207 0.000 1.175 86 A HN 0.490 nan 8.150 nan 0.000 0.512 87 V N 3.565 123.665 119.914 0.310 0.000 2.294 87 V HA 0.474 4.594 4.120 0.000 0.000 0.272 87 V C 1.169 177.372 176.094 0.181 0.000 1.027 87 V CA -0.151 62.355 62.300 0.343 0.000 0.823 87 V CB 0.731 32.796 31.823 0.402 0.000 1.030 87 V HN 1.081 nan 8.190 nan 0.000 0.457 88 G N 3.216 112.065 108.800 0.081 0.000 2.636 88 G HA2 0.142 4.102 3.960 0.000 0.000 0.246 88 G HA3 0.142 4.102 3.960 0.000 0.000 0.246 88 G C -0.149 174.750 174.900 -0.002 0.000 1.216 88 G CA -0.447 44.656 45.100 0.006 0.000 0.854 88 G HN 0.642 nan 8.290 nan 0.000 0.572 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 0.442 176.654 176.300 -0.146 0.000 1.136 89 D CA 0.496 54.463 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 0.422 nan 8.370 nan 0.000 0.443 90 N N 1.478 120.096 118.700 -0.136 0.000 2.818 90 N HA -0.187 4.553 4.740 0.000 0.000 0.250 90 N C -0.573 174.841 175.510 -0.160 0.000 1.108 90 N CA 0.775 53.678 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 32.854 30.300 0.101 0.000 1.223 91 R HN -0.003 nan 8.270 nan 0.000 0.466 92 V N -0.458 119.614 119.914 0.264 0.000 2.841 92 V HA 0.711 4.831 4.120 0.000 0.000 0.310 92 V C -1.351 174.849 176.094 0.176 0.000 1.090 92 V CA -1.050 61.362 62.300 0.186 0.000 0.930 92 V CB 1.957 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 2.596 123.828 121.223 0.014 0.000 2.381 93 L HA 0.700 5.040 4.340 0.000 0.000 0.274 93 L C -0.713 176.040 176.870 -0.194 0.000 0.988 93 L CA 0.055 54.755 54.840 -0.233 0.000 0.824 93 L CB 1.668 43.492 42.059 -0.392 0.000 1.263 93 L HN 0.921 nan 8.230 nan 0.000 0.410 94 D N 5.498 125.789 120.400 -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 1.030 41.796 40.800 -0.057 0.000 1.045 94 D HN 0.582 nan 8.370 nan 0.000 0.495 95 M N 2.831 122.312 119.600 -0.199 0.000 2.192 95 M HA -0.209 4.271 4.480 0.000 0.000 0.259 95 M C 1.919 178.116 176.300 -0.172 0.000 1.071 95 M CA 0.929 56.087 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 -0.017 122.734 122.820 -0.116 0.000 2.076 96 A HA -0.104 4.216 4.320 0.000 0.000 0.220 96 A C 2.185 179.775 177.584 0.009 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 0.157 4.627 4.470 0.000 0.000 0.221 97 S C 0.653 175.316 174.600 0.105 0.000 0.952 97 S CA 0.411 58.659 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 0.640 nan 8.310 nan 0.000 0.498 98 T N -0.308 114.256 114.554 0.018 0.000 2.945 98 T HA 0.739 5.089 4.350 0.000 0.000 0.286 98 T C -0.747 173.984 174.700 0.051 0.000 1.025 98 T CA -0.815 61.248 62.100 -0.061 0.000 1.039 98 T CB 1.220 69.946 68.868 -0.237 0.000 1.068 98 T HN 0.702 nan 8.240 nan 0.000 0.497 99 Y N -1.456 118.756 120.300 -0.146 0.000 2.620 99 Y HA 0.645 5.195 4.550 0.000 0.000 0.331 99 Y C -2.230 173.556 175.900 -0.190 0.000 1.173 99 Y CA -2.366 55.642 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 1.969 122.058 119.950 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 -0.479 57.586 58.000 0.108 0.000 1.144 100 F CB 0.917 39.968 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 0.120 54.347 54.000 0.379 0.000 0.856 101 D CB 0.497 41.609 40.800 0.520 0.000 1.090 101 D HN 0.334 nan 8.370 nan 0.000 0.476 102 I N 3.701 124.365 120.570 0.157 0.000 2.509 102 I HA 0.480 4.650 4.170 0.000 0.000 0.293 102 I C 0.061 176.218 176.117 0.067 0.000 1.020 102 I CA -0.916 60.397 61.300 0.021 0.000 1.088 102 I CB 1.846 39.766 38.000 -0.134 0.000 1.267 102 I HN 0.152 nan 8.210 nan 0.000 0.430 103 R N 3.699 124.130 120.500 -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 -0.440 0.000 0.969 103 R CA -0.798 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 -1.750 172.636 174.900 -0.855 0.000 1.292 104 G CA -0.442 44.174 45.100 -0.806 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 -0.720 175.537 176.094 0.270 0.000 1.052 105 V CA -0.688 61.606 62.300 -0.011 0.000 0.908 105 V CB 1.578 33.390 31.823 -0.018 0.000 1.001 105 V HN 0.975 nan 8.190 nan 0.000 0.431 106 L N 2.822 124.236 121.223 0.320 0.000 2.431 106 L HA 0.805 5.145 4.340 0.000 0.000 0.266 106 L C -1.369 175.553 176.870 0.087 0.000 0.978 106 L CA -0.090 54.866 54.840 0.193 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 2.975 123.393 120.400 0.030 0.000 2.453 107 D HA 0.347 4.987 4.640 0.000 0.000 0.238 107 D C 0.587 176.816 176.300 -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 2.155 122.510 120.500 -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 0.652 56.572 56.100 -0.300 0.000 1.016 108 R CB -0.192 29.754 30.300 -0.589 0.000 0.872 108 R HN 0.667 nan 8.270 nan 0.000 0.471 109 G N 0.076 108.783 108.800 -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 -2.100 172.725 174.900 -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 1.729 178.880 177.300 -0.249 0.000 1.168 110 P CA 2.238 65.254 63.100 -0.140 0.000 0.779 110 P CB -0.067 31.577 31.700 -0.094 0.000 0.844 111 T N -4.282 110.084 114.554 -0.312 0.000 3.148 111 T HA 0.021 4.371 4.350 0.000 0.000 0.253 111 T C 0.302 174.645 174.700 -0.596 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 2.596 122.279 119.950 -0.444 0.000 2.472 112 F HA 0.497 5.024 4.527 0.000 0.000 0.364 112 F C 0.246 175.811 175.800 -0.393 0.000 1.090 112 F CA -1.080 56.702 58.000 -0.363 0.000 1.188 112 F CB 0.569 39.410 39.000 -0.265 0.000 1.105 112 F HN -0.005 nan 8.300 nan 0.000 0.536 113 K N 9.056 128.807 120.400 -1.081 0.000 2.803 113 K HA 0.311 4.631 4.320 0.000 0.000 0.229 113 K C -2.624 173.211 176.600 -1.275 0.000 1.084 113 K CA -1.744 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 0.387 62.949 63.100 -0.897 0.000 0.805 114 P CB -0.801 30.741 31.700 -0.262 0.000 1.706 115 Y N -5.472 114.499 120.300 -0.549 0.000 2.810 115 Y HA 0.564 5.114 4.550 0.000 0.000 0.355 115 Y C -1.062 174.709 175.900 -0.214 0.000 1.211 115 Y CA -1.376 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 0.897 116.675 115.700 0.129 0.000 2.608 116 S HA 0.788 5.258 4.470 0.000 0.000 0.291 116 S C 0.330 175.043 174.600 0.188 0.000 1.146 116 S CA 0.115 58.338 58.200 0.037 0.000 1.043 116 S CB 1.035 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 1.945 110.819 108.800 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 -0.450 174.556 174.900 0.177 0.000 1.341 117 G CA -0.289 44.913 45.100 0.170 0.000 0.880 117 G HN 0.920 nan 8.290 nan 0.000 0.566 118 T N -0.832 113.752 114.554 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 -0.088 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 -0.509 176.563 177.584 -0.855 0.000 1.214 119 A CA 0.127 51.712 52.037 -0.753 0.000 0.900 119 A CB -0.089 18.278 19.000 -1.053 0.000 0.942 119 A HN 0.725 nan 8.150 nan 0.000 0.507 120 Y N 0.331 120.547 120.300 -0.139 0.000 2.331 120 Y HA 0.396 4.946 4.550 0.000 0.000 0.334 120 Y C 0.062 175.872 175.900 -0.150 0.000 0.960 120 Y CA -1.804 56.240 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 0.954 119.701 118.700 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 -0.717 37.839 38.487 0.114 0.000 0.908 121 N HN 0.914 nan 8.380 nan 0.000 0.542 122 A N -0.237 122.595 122.820 0.021 0.000 2.019 122 A HA -0.044 4.276 4.320 0.000 0.000 0.219 122 A C 2.179 179.916 177.584 0.254 0.000 1.164 122 A CA 1.056 53.166 52.037 0.121 0.000 0.644 122 A CB -0.095 18.934 19.000 0.049 0.000 0.805 122 A HN 0.438 nan 8.150 nan 0.000 0.449 123 L N -0.785 120.536 121.223 0.164 0.000 2.492 123 L HA 0.143 4.483 4.340 0.000 0.000 0.223 123 L C 1.415 178.373 176.870 0.147 0.000 1.132 123 L CA 0.031 54.953 54.840 0.138 0.000 0.850 123 L CB -0.471 41.644 42.059 0.093 0.000 0.966 123 L HN 0.353 nan 8.230 nan 0.000 0.454 124 A N 1.145 124.085 122.820 0.199 0.000 2.440 124 A HA 0.372 4.692 4.320 0.000 0.000 0.251 124 A C -2.127 175.542 177.584 0.140 0.000 1.089 124 A CA -1.146 50.996 52.037 0.176 0.000 0.779 124 A CB -0.460 18.658 19.000 0.196 0.000 1.022 124 A HN -0.063 nan 8.150 nan 0.000 0.492 125 P HA 0.047 nan 4.420 nan 0.000 0.265 125 P C 0.264 177.538 177.300 -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 1.789 122.078 120.400 -0.185 0.000 2.442 126 K HA -0.090 4.230 4.320 0.000 0.000 0.200 126 K C 1.704 178.248 176.600 -0.094 0.000 1.045 126 K CA 1.556 57.686 56.287 -0.261 0.000 0.937 126 K CB -0.414 31.830 32.500 -0.426 0.000 0.757 126 K HN 0.628 nan 8.250 nan 0.000 0.474 127 G N 0.390 109.159 108.800 -0.050 0.000 2.944 127 G HA2 0.222 4.182 3.960 0.000 0.000 0.223 127 G HA3 0.222 4.182 3.960 0.000 0.000 0.223 127 G C 0.198 175.101 174.900 0.005 0.000 1.071 127 G CA -0.021 45.066 45.100 -0.022 0.000 0.806 127 G HN 0.260 nan 8.290 nan 0.000 0.538 128 A N 1.517 124.355 122.820 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 -0.802 176.590 177.300 0.153 0.000 1.290 129 P CA -1.030 62.127 63.100 0.095 0.000 0.889 129 P CB 0.975 32.698 31.700 0.037 0.000 1.190 130 N N 1.008 119.785 118.700 0.129 0.000 2.503 130 N HA 0.211 4.951 4.740 0.000 0.000 0.267 130 N C -2.208 173.407 175.510 0.174 0.000 1.214 130 N CA -1.190 51.938 53.050 0.129 0.000 0.959 130 N CB -0.306 38.236 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 -0.179 177.226 177.300 0.176 0.000 1.203 131 P CA -0.114 63.081 63.100 0.158 0.000 0.767 131 P CB -0.035 31.703 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 -0.545 174.652 174.990 0.345 0.000 1.486 132 C CA -0.862 58.316 59.018 0.266 0.000 1.556 132 C CB 1.648 29.538 27.740 0.250 0.000 2.063 132 C HN 0.495 nan 8.230 nan 0.000 0.454 133 E N -0.703 119.703 120.200 0.344 0.000 2.331 133 E HA 0.616 4.966 4.350 0.000 0.000 0.275 133 E C -1.705 175.150 176.600 0.426 0.000 0.895 133 E CA -0.165 56.418 56.400 0.305 0.000 0.753 133 E CB 2.314 32.101 29.700 0.144 0.000 1.216 133 E HN 0.864 nan 8.360 nan 0.000 0.434 134 W N 0.924 122.290 121.300 0.110 0.000 2.988 134 W HA 0.586 5.246 4.660 0.000 0.000 0.355 134 W C -1.337 175.251 176.519 0.116 0.000 1.233 134 W CA -0.639 56.753 57.345 0.079 0.000 1.176 134 W CB 0.487 29.965 29.460 0.029 0.000 1.477 134 W HN 0.181 nan 8.180 nan 0.000 0.582 166 H N 0.472 119.168 119.070 -0.623 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 54.828 56.048 -0.780 0.000 1.274 166 H CB 1.177 30.111 29.762 -1.381 0.000 1.538 166 H HN 0.360 nan 8.280 nan 0.000 0.542 167 V N 2.069 121.836 119.914 -0.245 0.000 2.789 167 V HA 0.320 4.440 4.120 0.000 0.000 0.311 167 V C -1.410 174.760 176.094 0.127 0.000 1.073 167 V CA -0.754 61.514 62.300 -0.054 0.000 0.921 167 V CB 1.977 33.725 31.823 -0.125 0.000 1.009 167 V HN 0.653 nan 8.190 nan 0.000 0.426 168 F N 4.063 124.082 119.950 0.115 0.000 2.716 168 F HA 0.822 5.349 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 0.073 58.166 58.000 0.155 0.000 1.045 168 F CB 1.373 40.565 39.000 0.319 0.000 1.311 168 F HN 0.625 nan 8.300 nan 0.000 0.477 169 G N 3.737 112.284 108.800 -0.422 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 -0.717 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 -0.184 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 2.256 30.943 28.738 -0.085 0.000 1.373 170 Q HN 1.053 nan 8.270 nan 0.000 0.409 171 A N 4.102 126.896 122.820 -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 0.030 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 -0.043 177.298 177.300 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 31.780 31.700 0.053 0.000 1.002 173 Y N 1.687 121.991 120.300 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 -0.562 57.544 58.100 0.010 0.000 1.244 173 Y CB 0.670 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 -0.177 57.829 58.200 -0.322 0.000 1.104 174 S CB -0.297 62.773 63.200 -0.217 0.000 0.969 174 S HN 1.052 nan 8.310 nan 0.000 0.471 175 G N 3.479 112.335 108.800 0.093 0.000 2.613 175 G HA2 0.521 4.481 3.960 0.000 0.000 0.303 175 G HA3 0.521 4.481 3.960 0.000 0.000 0.303 175 G C 0.674 175.663 174.900 0.148 0.000 1.312 175 G CA -0.772 44.494 45.100 0.277 0.000 1.036 175 G HN 0.701 nan 8.290 nan 0.000 0.513 176 I N 0.294 120.915 120.570 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 1.527 62.809 61.300 -0.030 0.000 1.408 176 I CB -0.151 37.836 38.000 -0.021 0.000 1.092 176 I HN 0.682 nan 8.210 nan 0.000 0.423 177 N N 0.172 118.668 118.700 -0.341 0.000 3.043 177 N HA 0.591 5.331 4.740 0.000 0.000 0.243 177 N C -1.129 174.294 175.510 -0.146 0.000 1.347 177 N CA -0.676 51.968 53.050 -0.677 0.000 0.896 177 N CB 0.767 38.982 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 61.082 61.300 0.194 0.000 1.167 178 I CB 1.148 39.349 38.000 0.335 0.000 1.320 178 I HN 0.989 nan 8.210 nan 0.000 0.458 179 T N 2.852 117.473 114.554 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 -0.041 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 0.106 120.431 120.400 -0.124 0.000 2.459 180 K HA 0.163 4.483 4.320 0.000 0.000 0.193 180 K C 1.505 178.108 176.600 0.004 0.000 1.030 180 K CA 1.285 57.441 56.287 -0.220 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 0.776 177.478 176.600 0.171 0.000 1.049 181 E CA 0.142 56.602 56.400 0.100 0.000 0.870 181 E CB 0.277 30.010 29.700 0.055 0.000 0.944 181 E HN 0.630 nan 8.360 nan 0.000 0.492 182 G N 1.770 110.734 108.800 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 -0.913 174.131 174.900 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 1.374 122.081 120.570 0.228 0.000 2.359 183 I HA 0.550 4.720 4.170 0.000 0.000 0.294 183 I C 0.629 176.800 176.117 0.090 0.000 0.987 183 I CA -0.614 60.787 61.300 0.169 0.000 1.225 183 I CB 1.368 39.486 38.000 0.196 0.000 1.366 183 I HN 0.748 nan 8.210 nan 0.000 0.466 184 Q N 7.279 127.123 119.800 0.074 0.000 2.314 184 Q HA 0.257 4.597 4.340 0.000 0.000 0.258 184 Q C 0.161 176.204 176.000 0.070 0.000 0.954 184 Q CA -0.100 55.728 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 0.185 120.782 120.570 0.044 0.000 4.225 185 I HA 0.600 4.770 4.170 0.000 0.000 0.327 185 I C 0.282 176.441 176.117 0.069 0.000 1.422 185 I CA -0.365 60.988 61.300 0.087 0.000 1.150 185 I CB 0.885 38.884 38.000 -0.002 0.000 1.192 185 I HN 0.567 nan 8.210 nan 0.000 0.440 194 Y N -0.114 120.182 120.300 -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 -1.318 56.776 58.100 -0.010 0.000 1.348 194 Y CB 0.497 38.970 38.460 0.023 0.000 1.294 194 Y HN 1.424 nan 8.280 nan 0.000 0.525 195 A N 1.486 124.244 122.820 -0.105 0.000 2.371 195 A HA 0.411 4.731 4.320 0.000 0.000 0.257 195 A C 0.042 177.469 177.584 -0.261 0.000 1.089 195 A CA 0.056 51.938 52.037 -0.259 0.000 0.794 195 A CB -0.035 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 2.426 122.587 120.400 -0.398 0.000 2.374 196 D HA 0.319 4.959 4.640 0.000 0.000 0.240 196 D C 1.510 177.562 176.300 -0.414 0.000 1.229 196 D CA 0.554 54.358 54.000 -0.327 0.000 0.895 196 D CB 0.856 41.502 40.800 -0.257 0.000 1.046 196 D HN 0.622 nan 8.370 nan 0.000 0.498 197 K N 2.374 122.644 120.400 -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 2.364 58.556 56.287 -0.158 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 -2.067 112.468 114.554 -0.032 0.000 2.849 198 T HA -0.063 4.287 4.350 0.000 0.000 0.270 198 T C 1.613 176.392 174.700 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 -0.617 119.260 119.950 -0.120 0.000 2.964 199 F HA 0.515 5.042 4.527 0.000 0.000 0.371 199 F C 0.079 175.764 175.800 -0.191 0.000 1.026 199 F CA -1.169 56.756 58.000 -0.125 0.000 1.106 199 F CB 0.274 39.223 39.000 -0.085 0.000 1.135 199 F HN 0.010 nan 8.300 nan 0.000 0.557 200 Q N 3.899 123.150 119.800 -0.916 0.000 2.256 200 Q HA 0.475 4.816 4.340 0.000 0.000 0.257 200 Q C -2.635 172.816 176.000 -0.915 0.000 0.936 200 Q CA -2.238 53.046 55.803 -0.865 0.000 0.903 200 Q CB 1.818 29.962 28.738 -0.990 0.000 1.263 200 Q HN -0.001 nan 8.270 nan 0.000 0.440 201 P HA 0.076 nan 4.420 nan 0.000 0.278 201 P C -0.978 176.173 177.300 -0.249 0.000 1.258 201 P CA -0.458 62.342 63.100 -0.499 0.000 0.811 201 P CB 0.754 32.202 31.700 -0.421 0.000 1.063 202 E N 1.679 121.809 120.200 -0.117 0.000 2.167 202 E HA 0.149 4.499 4.350 0.000 0.000 0.284 202 E C -1.603 175.016 176.600 0.031 0.000 1.016 202 E CA -1.765 54.638 56.400 0.005 0.000 0.817 202 E CB 0.433 30.180 29.700 0.079 0.000 1.080 202 E HN 0.318 nan 8.360 nan 0.000 0.397 203 P HA -0.257 nan 4.420 nan 0.000 0.218 203 P C 0.861 178.196 177.300 0.059 0.000 1.146 203 P CA 1.436 64.564 63.100 0.046 0.000 0.813 203 P CB 0.174 31.899 31.700 0.043 0.000 0.778 204 Q N -0.778 119.059 119.800 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 -0.498 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 1.386 122.009 120.570 0.087 0.000 2.395 205 I HA 0.454 4.624 4.170 0.000 0.000 0.289 205 I C 0.430 176.609 176.117 0.102 0.000 1.023 205 I CA -0.250 61.114 61.300 0.106 0.000 1.350 205 I CB 1.001 39.098 38.000 0.161 0.000 1.409 205 I HN 0.148 nan 8.210 nan 0.000 0.507 206 G N 3.425 112.259 108.800 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 -1.102 119.066 120.200 -0.054 0.000 2.343 207 E HA 0.596 4.946 4.350 0.000 0.000 0.269 207 E C 1.303 177.863 176.600 -0.067 0.000 1.047 207 E CA 0.437 56.785 56.400 -0.086 0.000 0.874 207 E CB 0.874 30.508 29.700 -0.110 0.000 1.033 207 E HN 1.337 nan 8.360 nan 0.000 0.409 208 S N 0.389 116.041 115.700 -0.081 0.000 2.395 208 S HA 0.301 4.771 4.470 0.000 0.000 0.225 208 S C 1.689 176.236 174.600 -0.088 0.000 1.027 208 S CA 1.453 59.617 58.200 -0.060 0.000 0.965 208 S CB -0.367 62.805 63.200 -0.047 0.000 0.812 208 S HN 1.225 nan 8.310 nan 0.000 0.482 209 Q N 0.526 120.201 119.800 -0.209 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 55.812 55.803 -0.400 0.000 0.956 209 Q CB -0.569 27.627 28.738 -0.903 0.000 1.249 209 Q HN 1.011 nan 8.270 nan 0.000 0.549 210 W N -0.671 120.432 121.300 -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 0.063 29.509 29.460 -0.024 0.000 1.051 210 W HN 0.787 nan 8.180 nan 0.000 0.592 211 Y N 0.852 120.781 120.300 -0.620 0.000 2.565 211 Y HA 0.696 5.246 4.550 0.000 0.000 0.325 211 Y C 0.327 176.072 175.900 -0.258 0.000 1.221 211 Y CA -1.835 55.922 58.100 -0.572 0.000 1.316 211 Y CB -0.667 37.169 38.460 -1.040 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 0.262 56.727 56.400 0.107 0.000 0.882 212 E CB -0.203 29.529 29.700 0.055 0.000 1.039 212 E HN 1.016 nan 8.360 nan 0.000 0.418 213 T N 0.055 114.654 114.554 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 1.848 63.987 62.100 0.067 0.000 1.036 213 T CB -0.142 68.730 68.868 0.006 0.000 0.994 213 T HN 1.981 nan 8.240 nan 0.000 0.489 214 E N -1.017 119.184 120.200 0.001 0.000 5.278 214 E HA 0.312 4.662 4.350 0.000 0.000 0.173 214 E C 0.034 176.619 176.600 -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 0.100 61.376 61.300 -0.041 0.000 1.324 215 I CB 0.796 38.774 38.000 -0.037 0.000 1.409 215 I HN 0.670 nan 8.210 nan 0.000 0.494 216 N N 2.225 120.851 118.700 -0.124 0.000 2.432 216 N HA 0.022 4.762 4.740 0.000 0.000 0.174 216 N C -0.186 175.002 175.510 -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 38.599 38.487 -0.394 0.000 1.049 216 N HN 0.914 nan 8.380 nan 0.000 0.442 217 H N 0.260 119.358 119.070 0.046 0.000 2.697 217 H HA 0.555 5.111 4.556 0.000 0.000 0.270 217 H C -0.523 174.864 175.328 0.098 0.000 1.188 217 H CA -0.417 55.678 56.048 0.079 0.000 1.322 217 H CB 0.991 30.806 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 0.877 5.197 4.320 0.000 0.000 0.328 218 A C -0.354 177.338 177.584 0.180 0.000 1.158 218 A CA -0.397 51.727 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 0.673 123.630 122.820 0.228 0.000 2.435 219 A HA 0.932 5.252 4.320 0.000 0.000 0.304 219 A C 0.035 177.720 177.584 0.169 0.000 1.064 219 A CA -0.003 52.164 52.037 0.217 0.000 0.727 219 A CB 1.665 20.811 19.000 0.242 0.000 1.284 219 A HN 2.088 nan 8.150 nan 0.000 0.415 220 G N -0.158 108.733 108.800 0.152 0.000 2.788 220 G HA2 0.636 4.596 3.960 0.000 0.000 0.293 220 G HA3 0.636 4.596 3.960 0.000 0.000 0.293 220 G C -1.405 173.578 174.900 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 -0.538 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 0.697 nan 8.270 nan 0.000 0.450 222 V N 5.093 125.048 119.914 0.067 0.000 3.147 222 V HA 0.531 4.651 4.120 0.000 0.000 0.306 222 V C -1.579 174.554 176.094 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 4.538 125.806 121.223 0.077 0.000 2.289 223 L HA 0.543 4.883 4.340 0.000 0.000 0.285 223 L C 0.300 177.223 176.870 0.088 0.000 1.049 223 L CA -0.520 54.365 54.840 0.074 0.000 0.804 223 L CB 1.255 43.357 42.059 0.072 0.000 1.195 223 L HN 0.590 nan 8.230 nan 0.000 0.428 224 K N 2.162 122.606 120.400 0.073 0.000 2.276 224 K HA 0.049 4.369 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 -0.408 55.925 56.287 0.075 0.000 0.927 224 K CB 0.681 33.215 32.500 0.056 0.000 0.969 224 K HN 0.521 nan 8.250 nan 0.000 0.490 225 K N 0.153 120.614 120.400 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 -0.245 32.332 32.500 0.128 0.000 0.787 225 K HN 0.621 nan 8.250 nan 0.000 0.488 226 T N -2.118 112.478 114.554 0.069 0.000 3.081 226 T HA 0.036 4.386 4.350 0.000 0.000 0.250 226 T C 0.572 175.299 174.700 0.046 0.000 1.100 226 T CA -0.104 62.027 62.100 0.052 0.000 1.038 226 T CB 0.146 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 -2.672 172.056 174.700 0.046 0.000 0.972 227 T CA -1.413 60.711 62.100 0.041 0.000 0.967 227 T CB 1.258 70.149 68.868 0.037 0.000 0.926 227 T HN 0.121 nan 8.240 nan 0.000 0.459 228 P HA 0.026 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 0.097 63.213 63.100 0.028 0.000 0.763 228 P CB 0.370 32.081 31.700 0.018 0.000 0.806 229 M N 2.812 122.424 119.600 0.020 0.000 2.211 229 M HA 0.252 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 0.472 55.780 55.300 0.013 0.000 1.134 229 M CB 0.431 33.019 32.600 -0.020 0.000 1.564 229 M HN 0.135 nan 8.290 nan 0.000 0.463 230 K N 2.934 123.345 120.400 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 -1.875 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 1.005 178.373 177.300 0.114 0.000 1.209 231 P CA -0.282 62.867 63.100 0.082 0.000 0.776 231 P CB 0.586 32.342 31.700 0.093 0.000 0.876 232 C N 3.116 122.493 119.300 0.127 0.000 2.398 232 C HA -0.190 4.270 4.460 0.000 0.000 0.276 232 C C 1.449 176.540 174.990 0.167 0.000 1.222 232 C CA 0.525 59.624 59.018 0.135 0.000 1.746 232 C CB -1.657 26.165 27.740 0.136 0.000 2.039 232 C HN 0.546 nan 8.230 nan 0.000 0.470 233 Y N 1.073 121.414 120.300 0.068 0.000 2.745 233 Y HA 0.380 4.930 4.550 0.000 0.000 0.335 233 Y C 1.189 177.146 175.900 0.095 0.000 1.212 233 Y CA 1.153 59.299 58.100 0.076 0.000 1.535 233 Y CB -0.076 38.412 38.460 0.047 0.000 1.220 233 Y HN 0.633 nan 8.280 nan 0.000 0.531 234 G N 3.072 111.748 108.800 -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 0.145 45.206 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 1.119 64.345 63.200 0.043 0.000 0.917 235 S HN 0.798 nan 8.310 nan 0.000 0.492 236 Y N 1.241 121.368 120.300 -0.288 0.000 2.544 236 Y HA 0.599 5.149 4.550 0.000 0.000 0.342 236 Y C -1.242 174.506 175.900 -0.252 0.000 1.062 236 Y CA -0.801 57.025 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 5.861 128.005 122.820 -1.127 0.000 2.466 237 A HA 0.458 4.778 4.320 0.000 0.000 0.284 237 A C -1.448 175.593 177.584 -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 -2.393 174.096 176.600 -0.185 0.000 0.993 238 K CA -0.543 55.547 56.287 -0.327 0.000 1.030 238 K CB 0.127 32.591 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 62.770 63.100 -0.060 0.000 0.776 239 P CB 1.097 32.780 31.700 -0.028 0.000 0.881 240 T N -1.912 112.625 114.554 -0.028 0.000 3.044 240 T HA 0.202 4.552 4.350 0.000 0.000 0.260 240 T C 0.213 174.906 174.700 -0.011 0.000 1.019 240 T CA -0.277 61.814 62.100 -0.015 0.000 0.921 240 T CB -0.742 68.120 68.868 -0.010 0.000 1.053 240 T HN 0.595 nan 8.240 nan 0.000 0.533 241 N N -1.514 117.173 118.700 -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 -0.303 52.726 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 0.419 176.912 176.600 -0.178 0.000 1.025 242 E CA 1.593 57.929 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 0.234 4.974 4.740 0.000 0.000 0.198 243 N C 1.346 176.711 175.510 -0.242 0.000 1.117 243 N CA 0.778 53.553 53.050 -0.459 0.000 0.845 243 N CB 1.244 38.991 38.487 -1.234 0.000 0.980 243 N HN 0.579 nan 8.380 nan 0.000 0.486 244 G N 0.099 108.835 108.800 -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 0.537 175.439 174.900 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 -0.184 108.636 108.800 0.033 0.000 2.353 245 G HA2 0.432 4.392 3.960 0.000 0.000 0.239 245 G HA3 0.432 4.392 3.960 0.000 0.000 0.239 245 G C 0.567 175.470 174.900 0.004 0.000 1.295 245 G CA 0.565 45.699 45.100 0.057 0.000 0.884 245 G HN 0.579 nan 8.290 nan 0.000 0.537 246 Q N 1.197 120.990 119.800 -0.012 0.000 2.179 246 Q HA 0.227 4.567 4.340 0.000 0.000 0.213 246 Q C 1.288 177.270 176.000 -0.031 0.000 0.833 246 Q CA -0.156 55.618 55.803 -0.048 0.000 0.990 246 Q CB 1.168 29.847 28.738 -0.098 0.000 1.132 246 Q HN 0.607 nan 8.270 nan 0.000 0.493 247 G N 1.153 109.951 108.800 -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 -0.186 174.716 174.900 0.003 0.000 1.294 247 G CA -0.396 44.709 45.100 0.007 0.000 0.896 247 G HN 0.199 nan 8.290 nan 0.000 0.522 248 I N 1.165 121.736 120.570 0.002 0.000 2.752 248 I HA 0.002 4.172 4.170 0.000 0.000 0.287 248 I C 0.583 176.705 176.117 0.009 0.000 1.188 248 I CA 0.390 61.691 61.300 0.002 0.000 1.427 248 I CB 0.666 38.667 38.000 0.003 0.000 1.365 248 I HN 0.214 nan 8.210 nan 0.000 0.585 249 L N 6.831 128.059 121.223 0.008 0.000 2.295 249 L HA 0.475 4.815 4.340 0.000 0.000 0.285 249 L C -0.127 176.749 176.870 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 43.487 42.059 0.010 0.000 1.214 249 L HN 0.320 nan 8.230 nan 0.000 0.426 259 S N 0.161 115.875 115.700 0.025 0.000 2.549 259 S HA 0.226 4.696 4.470 0.000 0.000 0.283 259 S C 0.690 175.308 174.600 0.030 0.000 1.320 259 S CA 0.251 58.469 58.200 0.030 0.000 1.058 259 S CB 0.849 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 2.923 122.741 119.800 0.030 0.000 2.172 260 Q HA 0.190 4.530 4.340 0.000 0.000 0.217 260 Q C -0.313 175.707 176.000 0.035 0.000 0.832 260 Q CA -0.215 55.605 55.803 0.029 0.000 1.010 260 Q CB 0.734 29.486 28.738 0.023 0.000 1.133 260 Q HN 0.588 nan 8.270 nan 0.000 0.489 261 V N 1.753 121.695 119.914 0.047 0.000 2.763 261 V HA 0.209 4.329 4.120 0.000 0.000 0.306 261 V C 0.472 176.595 176.094 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 0.391 nan 8.190 nan 0.000 0.489 262 E N 4.953 125.167 120.200 0.023 0.000 2.265 262 E HA 0.636 4.986 4.350 0.000 0.000 0.262 262 E C -0.600 175.934 176.600 -0.110 0.000 0.889 262 E CA -0.834 55.554 56.400 -0.020 0.000 0.789 262 E CB 1.484 31.179 29.700 -0.008 0.000 1.221 262 E HN 0.747 nan 8.360 nan 0.000 0.414 263 M N 0.953 120.425 119.600 -0.213 0.000 2.243 263 M HA 0.440 4.920 4.480 0.000 0.000 0.341 263 M C 0.057 176.123 176.300 -0.391 0.000 1.130 263 M CA -0.095 54.902 55.300 -0.504 0.000 1.162 263 M CB 0.387 32.480 32.600 -0.845 0.000 1.497 263 M HN 0.498 nan 8.290 nan 0.000 0.456 264 Q N 2.174 121.673 119.800 -0.501 0.000 2.309 264 Q HA 0.536 4.876 4.340 0.000 0.000 0.270 264 Q C -1.645 174.011 176.000 -0.573 0.000 1.023 264 Q CA -0.392 55.192 55.803 -0.364 0.000 0.758 264 Q CB 1.828 30.503 28.738 -0.106 0.000 1.247 264 Q HN 0.528 nan 8.270 nan 0.000 0.455 265 F N 1.901 121.570 119.950 -0.469 0.000 2.379 265 F HA 0.593 5.120 4.527 0.000 0.000 0.332 265 F C -0.165 175.217 175.800 -0.696 0.000 1.096 265 F CA -0.464 57.317 58.000 -0.366 0.000 1.105 265 F CB 0.688 39.565 39.000 -0.204 0.000 1.189 265 F HN 0.371 nan 8.300 nan 0.000 0.515 266 F N -0.065 119.952 119.950 0.110 0.000 2.613 266 F HA 0.646 5.173 4.527 0.000 0.000 0.310 266 F C -0.127 175.699 175.800 0.043 0.000 1.085 266 F CA -0.714 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 -0.555 115.273 115.700 0.214 0.000 2.651 267 S HA 0.579 5.049 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 65.095 63.200 0.066 0.000 1.138 267 S HN 0.764 nan 8.310 nan 0.000 0.478 268 T N 0.372 114.957 114.554 0.051 0.000 4.971 268 T HA 0.464 4.814 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 0.892 63.012 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 -0.147 121.073 121.223 -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 1.538 56.374 54.840 -0.008 0.000 0.911 279 L CB -1.403 40.645 42.059 -0.020 0.000 1.341 279 L HN 2.409 nan 8.230 nan 0.000 0.487 280 T N 3.834 118.394 114.554 0.010 0.000 3.548 280 T HA 0.628 4.978 4.350 0.000 0.000 0.329 280 T C -2.083 172.650 174.700 0.054 0.000 0.960 280 T CA -0.790 61.328 62.100 0.028 0.000 1.041 280 T CB 0.785 69.678 68.868 0.043 0.000 1.065 280 T HN 0.742 nan 8.240 nan 0.000 0.459 281 P HA 0.329 nan 4.420 nan 0.000 0.261 281 P C 0.857 178.242 177.300 0.143 0.000 1.183 281 P CA 0.135 63.322 63.100 0.144 0.000 0.761 281 P CB 0.663 32.516 31.700 0.255 0.000 0.785 282 K N 1.995 122.459 120.400 0.107 0.000 2.323 282 K HA 0.249 4.569 4.320 0.000 0.000 0.197 282 K C 0.766 177.412 176.600 0.077 0.000 1.043 282 K CA 0.779 57.088 56.287 0.037 0.000 0.997 282 K CB 0.180 32.679 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 -1.384 174.811 176.094 0.168 0.000 1.104 283 V CA -0.719 61.663 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 0.717 4.837 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 61.856 62.300 -0.207 0.000 0.894 284 V CB 1.885 33.417 31.823 -0.486 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 2.269 44.335 42.059 0.012 0.000 1.284 285 L HN 0.657 nan 8.230 nan 0.000 0.424 286 Y N 1.007 121.257 120.300 -0.083 0.000 2.676 286 Y HA 0.195 4.745 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 -0.650 57.402 58.100 -0.080 0.000 1.314 286 Y CB 0.790 39.194 38.460 -0.092 0.000 1.164 286 Y HN 0.501 nan 8.280 nan 0.000 0.509 287 S N 3.153 118.873 115.700 0.033 0.000 2.548 287 S HA 0.537 5.007 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 -0.562 57.665 58.200 0.046 0.000 1.050 287 S CB 0.933 64.152 63.200 0.032 0.000 0.918 287 S HN 0.745 nan 8.310 nan 0.000 0.497 288 E N 1.125 121.357 120.200 0.054 0.000 2.423 288 E HA 0.408 4.758 4.350 0.000 0.000 0.280 288 E C -2.063 174.559 176.600 0.037 0.000 1.030 288 E CA -1.008 55.419 56.400 0.044 0.000 0.812 288 E CB 0.898 30.625 29.700 0.046 0.000 1.313 288 E HN 0.463 nan 8.360 nan 0.000 0.456 289 D N 1.223 121.640 120.400 0.028 0.000 2.256 289 D HA 0.428 5.068 4.640 0.000 0.000 0.240 289 D C -0.457 175.847 176.300 0.006 0.000 1.062 289 D CA -0.291 53.722 54.000 0.021 0.000 0.832 289 D CB 1.982 42.795 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 0.004 176.077 176.094 -0.035 0.000 1.104 290 V CA -0.885 61.397 62.300 -0.029 0.000 1.006 290 V CB 2.352 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 2.157 122.523 120.400 -0.058 0.000 2.619 291 D HA 0.225 4.865 4.640 0.000 0.000 0.224 291 D C 0.035 176.294 176.300 -0.068 0.000 1.133 291 D CA -0.067 53.904 54.000 -0.048 0.000 1.017 291 D CB 0.030 40.805 40.800 -0.042 0.000 1.077 291 D HN 0.662 nan 8.370 nan 0.000 0.503 292 I N 2.443 122.984 120.570 -0.048 0.000 2.598 292 I HA -0.032 4.138 4.170 0.000 0.000 0.284 292 I C 0.254 176.365 176.117 -0.011 0.000 1.140 292 I CA 0.552 61.825 61.300 -0.045 0.000 1.420 292 I CB 0.302 38.289 38.000 -0.022 0.000 1.387 292 I HN 0.225 nan 8.210 nan 0.000 0.553 293 E N 3.709 123.910 120.200 0.002 0.000 2.433 293 E HA 0.573 4.923 4.350 0.000 0.000 0.273 293 E C -1.041 175.582 176.600 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 -2.246 112.334 114.554 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 -1.243 60.887 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 0.431 177.762 177.300 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 31.763 31.700 0.024 0.000 0.780 296 D N -2.271 118.185 120.400 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 -0.368 40.464 40.800 0.053 0.000 1.110 296 D HN 0.127 nan 8.370 nan 0.000 0.495 297 T N -2.733 111.896 114.554 0.124 0.000 2.865 297 T HA 0.644 4.994 4.350 0.000 0.000 0.294 297 T C -0.626 174.206 174.700 0.220 0.000 1.119 297 T CA -0.831 61.372 62.100 0.171 0.000 1.007 297 T CB 2.587 71.533 68.868 0.129 0.000 1.225 297 T HN 0.311 nan 8.240 nan 0.000 0.515 298 H N -0.600 118.501 119.070 0.051 0.000 2.977 298 H HA 0.531 5.087 4.556 0.000 0.000 0.350 298 H C -1.184 174.161 175.328 0.029 0.000 1.238 298 H CA -1.459 54.602 56.048 0.022 0.000 1.124 298 H CB 0.803 30.555 29.762 -0.016 0.000 1.866 298 H HN 0.580 nan 8.280 nan 0.000 0.550 299 I N 2.780 123.352 120.570 0.004 0.000 2.379 299 I HA -0.034 4.136 4.170 0.000 0.000 0.290 299 I C 1.567 177.630 176.117 -0.091 0.000 1.063 299 I CA 0.173 61.442 61.300 -0.053 0.000 1.351 299 I CB 0.996 38.984 38.000 -0.020 0.000 1.410 299 I HN 0.750 nan 8.210 nan 0.000 0.505 300 S N 6.030 121.656 115.700 -0.122 0.000 2.528 300 S HA -0.037 4.433 4.470 0.000 0.000 0.219 300 S C 0.215 174.863 174.600 0.081 0.000 0.985 300 S CA 0.243 58.397 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 -1.171 174.702 175.900 -0.046 0.000 1.135 301 Y CA -1.196 56.874 58.100 -0.050 0.000 1.213 301 Y CB 0.975 39.401 38.460 -0.056 0.000 1.141 301 Y HN 0.057 nan 8.280 nan 0.000 0.446 302 M N 8.611 127.873 119.600 -0.564 0.000 2.084 302 M HA 0.352 4.832 4.480 0.000 0.000 0.351 302 M C -1.949 173.875 176.300 -0.794 0.000 1.240 302 M CA -2.805 52.192 55.300 -0.505 0.000 1.083 302 M CB 1.137 33.583 32.600 -0.258 0.000 1.593 302 M HN 0.444 nan 8.290 nan 0.000 0.463 303 P HA 0.089 nan 4.420 nan 0.000 0.235 303 P C -0.661 176.492 177.300 -0.244 0.000 1.177 303 P CA 0.638 63.451 63.100 -0.477 0.000 0.785 303 P CB 0.434 32.005 31.700 -0.216 0.000 0.885 304 T N -2.112 112.317 114.554 -0.208 0.000 3.097 304 T HA 0.423 4.773 4.350 0.000 0.000 0.332 304 T C 0.502 175.137 174.700 -0.109 0.000 1.269 304 T CA -0.425 61.597 62.100 -0.131 0.000 1.076 304 T CB 1.091 69.898 68.868 -0.102 0.000 1.209 304 T HN -0.178 nan 8.240 nan 0.000 0.474 305 I N -0.785 119.737 120.570 -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 -0.081 61.182 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 0.257 176.835 176.600 -0.038 0.000 1.010 306 K CA 0.127 56.390 56.287 -0.039 0.000 0.875 306 K CB -0.424 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 0.294 56.684 56.400 -0.017 0.000 0.995 307 E CB -0.247 29.449 29.700 -0.006 0.000 0.974 307 E HN 2.400 nan 8.360 nan 0.000 0.465 308 G N 0.526 109.324 108.800 -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 0.958 nan 8.290 nan 0.000 0.605 309 N N 0.188 118.906 118.700 0.031 0.000 2.492 309 N HA 0.568 5.308 4.740 0.000 0.000 0.262 309 N C 0.562 176.067 175.510 -0.008 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 1.333 nan 8.380 nan 0.000 0.454 310 S N -0.637 114.925 115.700 -0.230 0.000 2.588 310 S HA 0.620 5.090 4.470 0.000 0.000 0.269 310 S C 0.949 174.989 174.600 -0.934 0.000 1.157 310 S CA -0.319 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 0.389 120.228 120.500 -1.102 0.000 2.139 311 R HA 0.040 4.380 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 3.246 58.722 56.100 -1.040 0.000 0.976 311 R CB -2.384 27.677 30.300 -0.398 0.000 0.866 311 R HN 1.238 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 -0.087 4.263 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 1.444 57.701 56.400 -0.238 0.000 0.805 312 E CB -0.674 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 -0.063 4.277 4.340 0.000 0.000 0.224 313 L C 2.781 179.522 176.870 -0.215 0.000 1.149 313 L CA 0.709 55.420 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 -0.826 118.588 119.600 -0.311 0.000 2.460 314 M HA -0.074 4.406 4.480 0.000 0.000 0.263 314 M C 1.821 178.010 176.300 -0.184 0.000 1.071 314 M CA 1.322 56.441 55.300 -0.302 0.000 1.096 314 M CB -0.535 31.780 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 -0.009 0.000 0.760 315 G HN 0.580 nan 8.290 nan 0.000 0.550 316 Q N 0.041 119.858 119.800 0.029 0.000 2.392 316 Q HA 0.437 4.777 4.340 0.000 0.000 0.262 316 Q C -0.756 175.292 176.000 0.080 0.000 1.003 316 Q CA 0.054 55.889 55.803 0.054 0.000 0.888 316 Q CB 0.795 29.505 28.738 -0.046 0.000 1.260 316 Q HN 0.219 nan 8.270 nan 0.000 0.435 317 Q N 0.938 120.805 119.800 0.112 0.000 2.342 317 Q HA 0.477 4.817 4.340 0.000 0.000 0.267 317 Q C -1.240 174.760 176.000 -0.001 0.000 1.038 317 Q CA -0.646 55.184 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 2.328 118.021 115.700 -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 1.723 120.511 118.700 0.146 0.000 2.503 321 N HA 0.156 4.896 4.740 0.000 0.000 0.267 321 N C 0.404 175.884 175.510 -0.049 0.000 1.214 321 N CA -0.265 52.840 53.050 0.092 0.000 0.959 321 N CB 0.218 38.750 38.487 0.074 0.000 1.142 321 N HN 0.256 nan 8.380 nan 0.000 0.455 322 R N 1.582 122.010 120.500 -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 0.002 nan 4.420 nan 0.000 0.268 323 P C -0.851 176.282 177.300 -0.279 0.000 1.205 323 P CA -0.004 62.869 63.100 -0.379 0.000 0.771 323 P CB 0.533 32.013 31.700 -0.366 0.000 0.858 324 N N 2.034 120.468 118.700 -0.443 0.000 2.621 324 N HA 0.213 4.953 4.740 0.000 0.000 0.271 324 N C -1.700 173.643 175.510 -0.279 0.000 1.181 324 N CA -0.457 52.447 53.050 -0.242 0.000 0.805 324 N CB 0.151 38.567 38.487 -0.118 0.000 1.351 324 N HN 0.133 nan 8.380 nan 0.000 0.539 325 Y N 2.613 122.948 120.300 0.058 0.000 2.319 325 Y HA 0.464 5.014 4.550 0.000 0.000 0.328 325 Y C 0.606 176.617 175.900 0.186 0.000 1.133 325 Y CA -0.071 58.132 58.100 0.172 0.000 1.265 325 Y CB 0.898 39.448 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 0.411 0.000 2.569 326 I HA 0.770 4.940 4.170 0.000 0.000 0.290 326 I C -0.488 175.585 176.117 -0.073 0.000 1.088 326 I CA -0.693 60.661 61.300 0.090 0.000 1.047 326 I CB 1.770 39.756 38.000 -0.023 0.000 1.237 326 I HN 0.724 nan 8.210 nan 0.000 0.421 327 A N 4.644 127.397 122.820 -0.112 0.000 2.511 327 A HA 0.734 5.054 4.320 0.000 0.000 0.293 327 A C -1.505 175.979 177.584 -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 1.226 121.152 119.950 -0.039 0.000 2.444 328 F HA 0.467 4.994 4.527 0.000 0.000 0.331 328 F C 1.555 177.333 175.800 -0.036 0.000 1.167 328 F CA 0.585 58.593 58.000 0.012 0.000 1.262 328 F CB 0.620 39.716 39.000 0.159 0.000 1.196 328 F HN 0.530 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 0.150 4.490 4.340 0.000 0.000 0.268 329 R C -0.811 175.458 176.300 -0.052 0.000 1.101 329 R CA -0.919 55.225 56.100 0.074 0.000 1.180 329 R CB 0.198 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 1.284 121.658 120.400 -0.043 0.000 2.472 330 D HA -0.078 4.562 4.640 0.000 0.000 0.248 330 D C -0.199 176.071 176.300 -0.051 0.000 1.174 330 D CA 0.682 54.638 54.000 -0.073 0.000 0.883 330 D CB 0.171 40.953 40.800 -0.029 0.000 1.149 330 D HN 0.483 nan 8.370 nan 0.000 0.488 331 N N 3.557 122.189 118.700 -0.114 0.000 2.741 331 N HA -0.266 4.474 4.740 0.000 0.000 0.251 331 N C -0.055 175.502 175.510 0.079 0.000 1.112 331 N CA 0.879 53.933 53.050 0.007 0.000 0.750 331 N CB -1.458 37.130 38.487 0.169 0.000 1.119 331 N HN 0.558 nan 8.380 nan 0.000 0.561 332 F N -1.830 118.181 119.950 0.102 0.000 3.093 332 F HA -0.252 4.275 4.527 0.000 0.000 0.287 332 F C 0.987 176.853 175.800 0.109 0.000 0.882 332 F CA 0.201 58.253 58.000 0.087 0.000 1.063 332 F CB -2.083 36.943 39.000 0.042 0.000 1.097 332 F HN 0.204 nan 8.300 nan 0.000 0.604 333 I N 0.391 121.093 120.570 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 1.602 63.019 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 4.316 113.220 108.800 0.173 0.000 2.320 334 G HA2 -0.307 3.653 3.960 0.000 0.000 0.242 334 G HA3 -0.307 3.653 3.960 0.000 0.000 0.242 334 G C 0.901 175.851 174.900 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 0.183 121.507 121.223 0.168 0.000 1.989 335 L HA 0.125 4.465 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 1.657 56.608 54.840 0.186 0.000 0.749 335 L CB -0.217 41.966 42.059 0.207 0.000 0.890 335 L HN 0.440 nan 8.230 nan 0.000 0.431 336 M N -2.065 117.499 119.600 -0.059 0.000 2.367 336 M HA 0.209 4.689 4.480 0.000 0.000 0.339 336 M C -1.065 175.035 176.300 -0.334 0.000 1.177 336 M CA -0.373 54.743 55.300 -0.306 0.000 1.068 336 M CB 1.358 33.645 32.600 -0.520 0.000 1.602 336 M HN -0.176 nan 8.290 nan 0.000 0.457 337 Y N 1.306 121.440 120.300 -0.277 0.000 2.319 337 Y HA 0.330 4.880 4.550 0.000 0.000 0.328 337 Y C -0.891 174.849 175.900 -0.268 0.000 1.133 337 Y CA 0.471 58.458 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 0.269 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 -2.553 55.682 58.100 0.226 0.000 1.029 338 Y CB 1.438 40.058 38.460 0.268 0.000 1.308 338 Y HN 0.683 nan 8.280 nan 0.000 0.461 339 N N -0.384 118.510 118.700 0.323 0.000 2.716 339 N HA -0.171 4.569 4.740 0.000 0.000 0.250 339 N C -0.693 174.906 175.510 0.148 0.000 1.033 339 N CA 0.978 54.162 53.050 0.224 0.000 0.727 339 N CB -1.230 37.415 38.487 0.263 0.000 0.950 339 N HN 0.813 nan 8.380 nan 0.000 0.541 340 S N -0.959 114.795 115.700 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 -0.620 57.607 58.200 0.045 0.000 1.066 340 S CB 0.977 64.246 63.200 0.115 0.000 1.008 340 S HN 0.119 nan 8.310 nan 0.000 0.482 341 T N 2.529 117.054 114.554 -0.047 0.000 2.803 341 T HA -0.063 4.287 4.350 0.000 0.000 0.269 341 T C 2.134 176.763 174.700 -0.118 0.000 1.052 341 T CA 2.039 64.091 62.100 -0.081 0.000 1.136 341 T CB -0.256 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 1.385 110.117 108.800 -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 0.930 175.688 174.900 -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 0.260 118.760 118.700 -0.332 0.000 2.644 343 N HA 0.198 4.938 4.740 0.000 0.000 0.313 343 N C -0.620 174.597 175.510 -0.489 0.000 1.863 343 N CA -0.203 52.539 53.050 -0.513 0.000 0.918 343 N CB 0.982 38.839 38.487 -1.050 0.000 1.320 343 N HN 0.216 nan 8.380 nan 0.000 0.490 344 M N 1.175 120.526 119.600 -0.416 0.000 2.219 344 M HA 0.222 4.702 4.480 0.000 0.000 0.353 344 M C 0.897 176.769 176.300 -0.713 0.000 1.304 344 M CA -0.115 54.891 55.300 -0.490 0.000 1.115 344 M CB 0.638 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 -1.197 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 -1.168 173.285 174.900 -0.744 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 0.544 120.272 119.914 -0.310 0.000 2.733 346 V HA 0.474 4.594 4.120 0.000 0.000 0.306 346 V C -0.945 175.347 176.094 0.331 0.000 1.084 346 V CA -0.574 61.737 62.300 0.017 0.000 0.905 346 V CB 1.766 33.582 31.823 -0.012 0.000 1.010 346 V HN 0.685 nan 8.190 nan 0.000 0.424 347 L N 4.728 126.125 121.223 0.290 0.000 2.518 347 L HA 0.938 5.278 4.340 0.000 0.000 0.262 347 L C -0.353 176.649 176.870 0.220 0.000 0.982 347 L CA 0.057 55.084 54.840 0.313 0.000 0.873 347 L CB 1.176 43.390 42.059 0.259 0.000 1.198 347 L HN 0.865 nan 8.230 nan 0.000 0.427 348 A N 2.811 125.775 122.820 0.240 0.000 2.515 348 A HA 0.835 5.155 4.320 0.000 0.000 0.298 348 A C -0.180 177.560 177.584 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 0.816 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 -0.175 44.969 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 2.590 178.574 176.000 -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 -0.302 122.488 122.820 -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 53.186 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 -2.792 112.922 115.700 0.023 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 63.186 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 0.580 176.612 176.000 0.052 0.000 0.702 353 Q CA 1.418 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 0.913 nan 8.270 nan 0.000 0.683 354 L N 1.738 123.002 121.223 0.069 0.000 2.292 354 L HA 0.627 4.967 4.340 0.000 0.000 0.284 354 L C 0.041 176.967 176.870 0.093 0.000 1.065 354 L CA -0.563 54.321 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 3.484 122.231 118.700 0.078 0.000 2.411 355 N HA 0.196 4.936 4.740 0.000 0.000 0.259 355 N C 0.720 176.308 175.510 0.130 0.000 1.103 355 N CA 0.478 53.580 53.050 0.087 0.000 0.954 355 N CB 1.414 39.921 38.487 0.033 0.000 1.085 355 N HN 0.695 nan 8.380 nan 0.000 0.485 356 A N 3.508 126.428 122.820 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 0.848 120.892 119.914 0.216 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 -0.107 62.286 62.300 0.155 0.000 0.955 357 V CB 1.261 33.081 31.823 -0.005 0.000 0.988 357 V HN 0.097 nan 8.190 nan 0.000 0.471 358 V N 4.449 124.279 119.914 -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 1.598 32.999 31.823 -0.703 0.000 1.025 358 V HN 0.836 nan 8.190 nan 0.000 0.441 359 D N 3.163 123.458 120.400 -0.176 0.000 2.384 359 D HA 0.795 5.435 4.640 0.000 0.000 0.250 359 D C -0.820 175.489 176.300 0.015 0.000 1.029 359 D CA -0.257 53.727 54.000 -0.027 0.000 0.990 359 D CB 2.228 42.962 40.800 -0.108 0.000 1.175 359 D HN 0.356 nan 8.370 nan 0.000 0.532 360 L N 1.225 122.514 121.223 0.109 0.000 2.388 360 L HA 0.340 4.680 4.340 0.000 0.000 0.264 360 L C 1.317 178.256 176.870 0.115 0.000 0.998 360 L CA -0.730 54.167 54.840 0.095 0.000 0.817 360 L CB 2.163 44.292 42.059 0.117 0.000 1.338 360 L HN 0.265 nan 8.230 nan 0.000 0.414 361 Q N 0.053 119.904 119.800 0.084 0.000 2.297 361 Q HA -0.135 4.205 4.340 0.000 0.000 0.204 361 Q C 0.467 176.535 176.000 0.113 0.000 0.962 361 Q CA 0.982 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 0.368 120.837 120.400 0.115 0.000 2.317 362 D HA -0.029 4.611 4.640 0.000 0.000 0.211 362 D C 0.406 176.800 176.300 0.158 0.000 0.966 362 D CA 0.393 54.468 54.000 0.125 0.000 0.876 362 D CB 0.248 41.111 40.800 0.105 0.000 0.927 362 D HN 0.020 nan 8.370 nan 0.000 0.519 363 R N 0.308 120.916 120.500 0.181 0.000 2.500 363 R HA 0.259 4.599 4.340 0.000 0.000 0.277 363 R C -0.568 175.852 176.300 0.200 0.000 1.026 363 R CA -0.485 55.731 56.100 0.192 0.000 1.058 363 R CB 0.634 31.087 30.300 0.256 0.000 1.078 363 R HN -0.203 nan 8.270 nan 0.000 0.509 364 N N 1.299 120.084 118.700 0.142 0.000 2.804 364 N HA 0.114 4.854 4.740 0.000 0.000 0.251 364 N C -0.306 175.235 175.510 0.052 0.000 1.250 364 N CA -0.151 52.948 53.050 0.081 0.000 0.820 364 N CB 1.295 39.744 38.487 -0.062 0.000 1.156 364 N HN 0.562 nan 8.380 nan 0.000 0.512 365 T N 0.867 115.473 114.554 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 1.184 63.271 62.100 -0.021 0.000 1.150 365 T CB 0.169 68.925 68.868 -0.186 0.000 0.864 365 T HN 0.444 nan 8.240 nan 0.000 0.427 366 E N 0.841 121.029 120.200 -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 0.926 57.345 56.400 0.031 0.000 0.801 366 E CB -0.575 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 1.115 122.319 121.223 -0.032 0.000 2.046 367 L HA -0.120 4.220 4.340 0.000 0.000 0.208 367 L C 2.527 179.377 176.870 -0.033 0.000 1.077 367 L CA 1.773 56.572 54.840 -0.068 0.000 0.747 367 L CB -0.753 41.244 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 1.666 59.903 58.200 0.061 0.000 1.014 368 S CB -0.606 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 1.637 59.668 58.100 -0.116 0.000 1.201 369 Y CB -0.294 38.099 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 -0.050 0.000 2.050 370 Q HA -0.161 4.179 4.340 0.000 0.000 0.202 370 Q C 2.367 178.249 176.000 -0.196 0.000 0.980 370 Q CA 1.716 57.445 55.803 -0.123 0.000 0.840 370 Q CB -0.523 28.110 28.738 -0.175 0.000 0.898 370 Q HN 0.529 nan 8.270 nan 0.000 0.424 371 L N 0.197 121.283 121.223 -0.230 0.000 2.156 371 L HA -0.145 4.195 4.340 0.000 0.000 0.208 371 L C 2.415 179.008 176.870 -0.463 0.000 1.095 371 L CA 0.354 55.073 54.840 -0.201 0.000 0.770 371 L CB -0.455 41.605 42.059 0.002 0.000 0.914 371 L HN 0.176 nan 8.230 nan 0.000 0.439 372 L N -0.097 120.720 121.223 -0.677 0.000 2.046 372 L HA -0.197 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 41.350 42.059 -0.662 0.000 0.896 372 L HN 0.097 nan 8.230 nan 0.000 0.432 373 L N -0.427 120.512 121.223 -0.474 0.000 2.017 373 L HA -0.253 4.087 4.340 0.000 0.000 0.208 373 L C 2.341 179.113 176.870 -0.164 0.000 1.073 373 L CA 1.949 56.597 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 -0.279 120.074 120.400 -0.079 0.000 2.149 374 D HA -0.211 4.429 4.640 0.000 0.000 0.198 374 D C 2.249 178.535 176.300 -0.023 0.000 0.990 374 D CA 1.519 55.528 54.000 0.014 0.000 0.839 374 D CB 0.136 41.069 40.800 0.223 0.000 0.948 374 D HN 0.289 nan 8.370 nan 0.000 0.460 375 S N -0.131 115.511 115.700 -0.097 0.000 2.428 375 S HA -0.121 4.349 4.470 0.000 0.000 0.230 375 S C 2.045 176.618 174.600 -0.045 0.000 1.014 375 S CA 0.875 59.043 58.200 -0.053 0.000 0.957 375 S CB -0.711 62.443 63.200 -0.078 0.000 0.784 375 S HN 0.577 nan 8.310 nan 0.000 0.499 376 I N -2.062 118.450 120.570 -0.097 0.000 3.956 376 I HA 0.587 4.757 4.170 0.000 0.000 0.333 376 I C 0.695 176.786 176.117 -0.043 0.000 1.302 376 I CA -0.104 61.158 61.300 -0.063 0.000 1.122 376 I CB -0.042 37.908 38.000 -0.083 0.000 1.013 376 I HN 0.388 nan 8.210 nan 0.000 0.405 377 G N 0.844 109.620 108.800 -0.039 0.000 2.490 377 G HA2 0.117 4.077 3.960 0.000 0.000 0.308 377 G HA3 0.117 4.077 3.960 0.000 0.000 0.308 377 G C -2.010 172.876 174.900 -0.023 0.000 1.286 377 G CA -0.393 44.691 45.100 -0.027 0.000 0.825 377 G HN 0.051 nan 8.290 nan 0.000 0.479 378 D N 0.052 120.437 120.400 -0.025 0.000 2.456 378 D HA 0.330 4.970 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 -0.688 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 1.845 178.147 176.300 0.004 0.000 1.107 379 R CA 1.027 57.119 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 -2.289 112.241 114.554 -0.041 0.000 3.023 380 T HA 0.066 4.416 4.350 0.000 0.000 0.266 380 T C 0.905 175.515 174.700 -0.149 0.000 1.093 380 T CA 0.142 62.197 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 1.125 121.573 120.500 -0.087 0.000 2.490 381 R HA 0.354 4.694 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 1.519 121.747 120.300 -0.120 0.000 2.387 382 Y HA 0.372 4.922 4.550 0.000 0.000 0.330 382 Y C 0.008 175.964 175.900 0.094 0.000 1.133 382 Y CA -1.310 56.714 58.100 -0.127 0.000 1.152 382 Y CB 0.821 38.960 38.460 -0.535 0.000 1.215 382 Y HN 0.357 nan 8.280 nan 0.000 0.466 383 F N 2.248 122.282 119.950 0.139 0.000 2.902 383 F HA 0.231 4.758 4.527 0.000 0.000 0.368 383 F C 1.042 176.891 175.800 0.081 0.000 1.202 383 F CA -1.609 56.445 58.000 0.089 0.000 1.109 383 F CB 0.991 40.043 39.000 0.087 0.000 1.418 383 F HN 0.480 nan 8.300 nan 0.000 0.527 384 S N 5.009 120.819 115.700 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 59.850 58.200 -0.026 0.000 1.038 384 S CB -0.563 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 1.252 177.062 176.300 -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 -0.683 120.303 121.300 -0.524 0.000 3.330 386 W HA 0.245 4.905 4.660 0.000 0.000 0.348 386 W C 0.475 176.777 176.519 -0.361 0.000 1.205 386 W CA -0.612 56.626 57.345 -0.177 0.000 1.841 386 W CB -0.176 29.223 29.460 -0.102 0.000 1.084 386 W HN 0.375 nan 8.180 nan 0.000 0.665 387 N N 1.256 119.798 118.700 -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 0.696 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 0.338 nan 8.380 nan 0.000 0.555 388 Q N 0.228 120.011 119.800 -0.028 0.000 2.641 388 Q HA 0.459 4.799 4.340 0.000 0.000 0.225 388 Q C -0.752 175.254 176.000 0.011 0.000 1.309 388 Q CA 0.370 56.221 55.803 0.080 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 -0.567 51.185 52.037 -0.474 0.000 0.759 389 A CB 1.002 19.518 19.000 -0.805 0.000 1.267 389 A HN 0.484 nan 8.150 nan 0.000 0.421 390 V N 2.565 122.435 119.914 -0.073 0.000 2.814 390 V HA -0.002 4.118 4.120 0.000 0.000 0.307 390 V C 0.050 176.140 176.094 -0.007 0.000 1.089 390 V CA 0.486 62.781 62.300 -0.009 0.000 1.212 390 V CB 0.371 32.211 31.823 0.028 0.000 0.912 390 V HN 0.790 nan 8.190 nan 0.000 0.497 391 D N 4.842 125.237 120.400 -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 0.428 54.461 54.000 0.055 0.000 0.879 391 D CB 1.318 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 1.263 117.123 115.700 0.267 0.000 2.794 392 S HA 0.757 5.227 4.470 0.000 0.000 0.299 392 S C -1.113 173.556 174.600 0.116 0.000 1.179 392 S CA -0.916 57.396 58.200 0.187 0.000 0.838 392 S CB 1.759 64.955 63.200 -0.006 0.000 1.206 392 S HN 0.509 nan 8.310 nan 0.000 0.523 393 Y N -1.247 119.018 120.300 -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 -0.194 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 -0.505 0.000 1.299 393 Y HN 0.644 nan 8.280 nan 0.000 0.464 394 D N 3.191 123.627 120.400 0.061 0.000 2.371 394 D HA 0.219 4.859 4.640 0.000 0.000 0.256 394 D C -1.768 174.626 176.300 0.157 0.000 1.193 394 D CA -2.030 51.999 54.000 0.049 0.000 0.881 394 D CB 1.616 42.415 40.800 -0.001 0.000 1.143 394 D HN 0.383 nan 8.370 nan 0.000 0.473 395 P HA -0.112 nan 4.420 nan 0.000 0.218 395 P C 0.562 177.918 177.300 0.092 0.000 1.148 395 P CA 0.884 64.065 63.100 0.136 0.000 0.822 395 P CB 0.364 32.097 31.700 0.055 0.000 0.784 396 D N -1.332 119.132 120.400 0.106 0.000 2.348 396 D HA -0.034 4.606 4.640 0.000 0.000 0.216 396 D C 1.776 178.198 176.300 0.203 0.000 0.970 396 D CA 0.598 54.695 54.000 0.161 0.000 0.889 396 D CB 0.012 40.917 40.800 0.176 0.000 0.912 396 D HN 0.082 nan 8.370 nan 0.000 0.524 397 V N 0.277 120.226 119.914 0.059 0.000 2.575 397 V HA -0.044 4.076 4.120 0.000 0.000 0.242 397 V C 2.378 178.334 176.094 -0.229 0.000 1.045 397 V CA 0.591 62.818 62.300 -0.122 0.000 1.065 397 V CB -0.032 31.570 31.823 -0.369 0.000 0.717 397 V HN -0.029 nan 8.190 nan 0.000 0.467 398 R N 0.570 120.899 120.500 -0.286 0.000 2.075 398 R HA 0.065 4.405 4.340 0.000 0.000 0.232 398 R C 0.558 176.718 176.300 -0.234 0.000 1.126 398 R CA 1.491 57.343 56.100 -0.414 0.000 0.963 398 R CB -0.095 29.802 30.300 -0.672 0.000 0.858 398 R HN 0.450 nan 8.270 nan 0.000 0.435 399 I N 1.433 121.937 120.570 -0.111 0.000 2.411 399 I HA 0.266 4.436 4.170 0.000 0.000 0.284 399 I C -0.670 175.466 176.117 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 0.002 nan 8.210 nan 0.000 0.448 400 I N 5.943 126.554 120.570 0.068 0.000 2.533 400 I HA 0.080 4.250 4.170 0.000 0.000 0.284 400 I C 0.617 176.846 176.117 0.186 0.000 1.109 400 I CA 0.286 61.690 61.300 0.173 0.000 1.412 400 I CB 0.483 38.601 38.000 0.197 0.000 1.396 400 I HN 0.627 nan 8.210 nan 0.000 0.543 401 E N 6.678 126.992 120.200 0.191 0.000 2.256 401 E HA 0.133 4.483 4.350 0.000 0.000 0.243 401 E C -0.674 175.934 176.600 0.013 0.000 0.925 401 E CA -0.602 55.870 56.400 0.122 0.000 0.748 401 E CB 0.558 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 3.409 122.156 118.700 0.078 0.000 2.663 402 N HA -0.014 4.726 4.740 0.000 0.000 0.250 402 N C 0.126 175.565 175.510 -0.118 0.000 1.129 402 N CA -0.040 53.011 53.050 0.003 0.000 0.995 402 N CB 0.197 38.818 38.487 0.223 0.000 1.324 402 N HN 0.561 nan 8.380 nan 0.000 0.512 403 H N 1.430 120.382 119.070 -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 0.501 nan 8.280 nan 0.000 0.554 404 G N 1.753 110.337 108.800 -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 -0.187 174.466 174.900 -0.412 0.000 1.246 404 G CA 0.180 45.103 45.100 -0.295 0.000 0.919 404 G HN 0.865 nan 8.290 nan 0.000 0.577 405 T N -2.581 111.860 114.554 -0.188 0.000 2.909 405 T HA 0.691 5.041 4.350 0.000 0.000 0.299 405 T C -0.545 174.113 174.700 -0.071 0.000 1.073 405 T CA -0.143 61.873 62.100 -0.140 0.000 0.999 405 T CB 2.336 71.162 68.868 -0.071 0.000 1.098 405 T HN 0.671 nan 8.240 nan 0.000 0.477 406 E N 2.279 122.442 120.200 -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 0.073 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 1.219 121.594 120.400 -0.042 0.000 2.755 407 D HA 0.022 4.662 4.640 0.000 0.000 0.257 407 D C 0.534 176.804 176.300 -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 0.074 nan 8.370 nan 0.000 0.486 408 E N 0.307 120.481 120.200 -0.044 0.000 2.051 408 E HA 0.021 4.371 4.350 0.000 0.000 0.192 408 E C 0.685 177.258 176.600 -0.045 0.000 0.991 408 E CA 0.787 57.164 56.400 -0.038 0.000 0.799 408 E CB 0.101 29.784 29.700 -0.030 0.000 0.748 408 E HN 0.408 nan 8.360 nan 0.000 0.449 409 L N 2.407 123.598 121.223 -0.052 0.000 2.371 409 L HA 0.246 4.586 4.340 0.000 0.000 0.272 409 L C -2.005 174.789 176.870 -0.127 0.000 1.124 409 L CA -1.966 52.835 54.840 -0.064 0.000 0.816 409 L CB 0.326 42.355 42.059 -0.050 0.000 1.129 409 L HN 0.030 nan 8.230 nan 0.000 0.448 410 P HA 0.235 nan 4.420 nan 0.000 0.281 410 P C -1.526 175.417 177.300 -0.595 0.000 1.249 410 P CA -0.597 62.270 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 1.052 119.373 118.700 -0.633 0.000 2.372 411 N HA 0.424 5.164 4.740 0.000 0.000 0.285 411 N C -1.031 174.103 175.510 -0.627 0.000 1.008 411 N CA -0.477 52.270 53.050 -0.506 0.000 0.880 411 N CB 0.877 39.220 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 -0.174 0.000 2.598 412 Y HA 0.635 5.185 4.550 0.000 0.000 0.340 412 Y C 0.217 175.796 175.900 -0.537 0.000 1.038 412 Y CA -1.428 56.413 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 0.401 119.395 119.300 -0.510 0.000 2.455 413 C HA 0.916 5.376 4.460 0.000 0.000 0.320 413 C C -1.026 173.573 174.990 -0.652 0.000 1.226 413 C CA -1.047 57.734 59.018 -0.395 0.000 1.569 413 C CB -0.798 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 1.045 120.984 119.950 -0.017 0.000 2.639 414 F HA 0.803 5.330 4.527 0.000 0.000 0.339 414 F C -1.976 173.819 175.800 -0.008 0.000 1.071 414 F CA -2.322 55.656 58.000 -0.037 0.000 0.994 414 F CB 0.331 39.303 39.000 -0.047 0.000 1.341 414 F HN 0.392 nan 8.300 nan 0.000 0.498 415 P HA 0.273 nan 4.420 nan 0.000 0.275 415 P C 0.827 178.121 177.300 -0.010 0.000 1.228 415 P CA -0.286 62.894 63.100 0.132 0.000 0.786 415 P CB 0.751 32.545 31.700 0.158 0.000 0.927 416 L N 1.153 122.346 121.223 -0.051 0.000 2.089 416 L HA -0.180 4.160 4.340 0.000 0.000 0.213 416 L C 2.143 178.631 176.870 -0.636 0.000 1.079 416 L CA 2.226 56.948 54.840 -0.196 0.000 0.758 416 L CB -1.245 40.790 42.059 -0.040 0.000 0.891 416 L HN 0.586 nan 8.230 nan 0.000 0.433 417 G N -1.811 106.434 108.800 -0.925 0.000 2.985 417 G HA2 0.275 4.235 3.960 0.000 0.000 0.209 417 G HA3 0.275 4.235 3.960 0.000 0.000 0.209 417 G C 1.288 175.795 174.900 -0.655 0.000 1.165 417 G CA 0.494 44.581 45.100 -1.688 0.000 0.776 417 G HN 0.552 nan 8.290 nan 0.000 0.541 418 G N -1.682 106.911 108.800 -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 0.096 174.952 174.900 -0.072 0.000 0.978 418 G CA 0.511 45.504 45.100 -0.179 0.000 0.632 418 G HN 1.194 nan 8.290 nan 0.000 0.537 419 V N -0.343 119.544 119.914 -0.046 0.000 3.023 419 V HA 0.674 4.794 4.120 0.000 0.000 0.294 419 V C 0.274 176.426 176.094 0.098 0.000 1.324 419 V CA 0.029 62.358 62.300 0.049 0.000 0.979 419 V CB 1.969 33.819 31.823 0.046 0.000 1.093 419 V HN 0.367 nan 8.190 nan 0.000 0.434 420 I N 2.721 123.364 120.570 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 61.561 61.300 0.122 0.000 1.366 420 I CB 0.797 38.866 38.000 0.116 0.000 1.386 420 I HN 0.618 nan 8.210 nan 0.000 0.483 421 N N 2.827 121.556 118.700 0.049 0.000 2.802 421 N HA 0.114 4.854 4.740 0.000 0.000 0.288 421 N C -0.113 175.415 175.510 0.030 0.000 1.268 421 N CA 0.178 53.238 53.050 0.017 0.000 1.035 421 N CB -0.113 38.370 38.487 -0.008 0.000 1.353 421 N HN 0.369 nan 8.380 nan 0.000 0.522 422 T N -1.558 113.023 114.554 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 -0.638 61.485 62.100 0.039 0.000 1.071 422 T CB 1.397 70.298 68.868 0.055 0.000 0.985 422 T HN 0.379 nan 8.240 nan 0.000 0.537 423 E N 0.667 120.875 120.200 0.013 0.000 2.210 423 E HA 0.355 4.705 4.350 0.000 0.000 0.266 423 E C -1.096 175.505 176.600 0.002 0.000 0.883 423 E CA -0.996 55.406 56.400 0.004 0.000 0.761 423 E CB 1.323 31.021 29.700 -0.003 0.000 1.156 423 E HN 0.597 nan 8.360 nan 0.000 0.412 424 T N 4.286 118.840 114.554 -0.000 0.000 2.902 424 T HA 0.233 4.583 4.350 0.000 0.000 0.301 424 T C 0.195 174.892 174.700 -0.006 0.000 1.012 424 T CA 0.075 62.174 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 1.841 123.061 121.223 -0.005 0.000 2.303 425 L HA 0.639 4.979 4.340 0.000 0.000 0.256 425 L C 0.130 176.995 176.870 -0.008 0.000 1.034 425 L CA -1.055 53.775 54.840 -0.015 0.000 0.832 425 L CB 2.570 44.613 42.059 -0.028 0.000 1.403 425 L HN 0.519 nan 8.230 nan 0.000 0.419 426 T N 0.697 115.240 114.554 -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 -0.574 61.522 62.100 -0.007 0.000 0.970 426 T CB 1.836 70.705 68.868 0.002 0.000 0.976 426 T HN 0.369 nan 8.240 nan 0.000 0.441 427 K N 2.671 123.059 120.400 -0.020 0.000 2.382 427 K HA 0.479 4.799 4.320 0.000 0.000 0.275 427 K C -0.870 175.718 176.600 -0.020 0.000 1.009 427 K CA -0.212 56.034 56.287 -0.068 0.000 0.970 427 K CB 0.479 32.890 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 -0.606 175.593 176.094 0.175 0.000 1.115 428 V CA -0.748 61.601 62.300 0.083 0.000 0.998 428 V CB 1.910 33.774 31.823 0.069 0.000 1.042 428 V HN 0.903 nan 8.190 nan 0.000 0.433 429 K N 3.609 124.146 120.400 0.229 0.000 2.316 429 K HA 0.896 5.216 4.320 0.000 0.000 0.251 429 K C -3.048 173.657 176.600 0.173 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 0.138 121.433 121.300 -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 -0.370 56.969 57.345 -0.009 0.000 1.209 438 W CB 2.032 31.484 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 -0.319 176.355 176.600 0.124 0.000 0.877 439 E CA -0.871 55.604 56.400 0.125 0.000 0.757 439 E CB 0.872 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 1.385 121.839 120.400 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 0.377 56.707 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 -0.434 120.005 120.400 0.066 0.000 2.252 441 D HA 0.787 5.427 4.640 0.000 0.000 0.245 441 D C -0.658 175.695 176.300 0.088 0.000 1.009 441 D CA 0.576 54.622 54.000 0.077 0.000 0.870 441 D CB 1.755 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 0.004 115.811 115.700 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 -0.395 57.861 58.200 0.092 0.000 1.002 446 S CB 0.273 63.501 63.200 0.045 0.000 0.998 446 S HN 0.551 nan 8.310 nan 0.000 0.542 447 D N 0.388 120.820 120.400 0.053 0.000 2.269 447 D HA 0.171 4.811 4.640 0.000 0.000 0.208 447 D C 0.601 176.919 176.300 0.030 0.000 0.963 447 D CA 1.366 55.389 54.000 0.039 0.000 0.864 447 D CB -0.199 40.616 40.800 0.025 0.000 0.936 447 D HN 0.666 nan 8.370 nan 0.000 0.505 448 K N 1.244 121.662 120.400 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 -0.820 55.478 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 1.964 120.682 118.700 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 2.175 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 1.731 121.944 120.200 0.021 0.000 2.167 450 E HA 0.465 4.815 4.350 0.000 0.000 0.284 450 E C -0.372 176.247 176.600 0.031 0.000 1.016 450 E CA -0.061 56.353 56.400 0.024 0.000 0.817 450 E CB 1.336 31.052 29.700 0.028 0.000 1.080 450 E HN 0.419 nan 8.360 nan 0.000 0.397 451 I N 2.580 123.163 120.570 0.022 0.000 2.533 451 I HA 0.314 4.484 4.170 0.000 0.000 0.290 451 I C -0.483 175.645 176.117 0.018 0.000 1.056 451 I CA -1.121 60.190 61.300 0.019 0.000 1.057 451 I CB 1.862 39.864 38.000 0.002 0.000 1.240 451 I HN 0.292 nan 8.210 nan 0.000 0.423 452 R N 5.613 126.127 120.500 0.024 0.000 2.234 452 R HA 0.482 4.822 4.340 0.000 0.000 0.324 452 R C -1.564 174.743 176.300 0.012 0.000 1.054 452 R CA -0.210 55.904 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 0.741 4.861 4.120 0.000 0.000 0.274 453 V C 0.810 176.908 176.094 0.007 0.000 1.028 453 V CA 0.661 62.961 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 5.363 114.166 108.800 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 -0.613 174.294 174.900 0.012 0.000 1.248 454 G CA -0.755 44.350 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 0.733 176.269 175.510 0.044 0.000 1.264 455 N CA 0.288 53.346 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 -0.664 174.948 175.510 0.170 0.000 1.242 456 N CA -0.380 52.736 53.050 0.110 0.000 0.959 456 N CB 0.130 38.677 38.487 0.100 0.000 1.201 456 N HN 0.382 nan 8.380 nan 0.000 0.511 457 F N -0.099 119.887 119.950 0.061 0.000 2.467 457 F HA 0.528 5.055 4.527 0.000 0.000 0.362 457 F C -0.162 175.661 175.800 0.038 0.000 1.090 457 F CA -0.713 57.310 58.000 0.039 0.000 1.202 457 F CB -0.166 38.857 39.000 0.038 0.000 1.113 457 F HN 0.727 nan 8.300 nan 0.000 0.541 458 A N 7.644 130.034 122.820 -0.716 0.000 2.498 458 A HA 0.806 5.126 4.320 0.000 0.000 0.298 458 A C -1.249 175.871 177.584 -0.772 0.000 1.075 458 A CA -0.902 50.701 52.037 -0.723 0.000 0.714 458 A CB 1.546 20.195 19.000 -0.584 0.000 1.299 458 A HN 0.668 nan 8.150 nan 0.000 0.407 459 M N 1.440 120.702 119.600 -0.564 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 1.728 34.174 32.600 -0.256 0.000 1.668 459 M HN 0.930 nan 8.290 nan 0.000 0.438 460 E N 2.236 122.413 120.200 -0.038 0.000 2.222 460 E HA 0.763 5.113 4.350 0.000 0.000 0.272 460 E C -1.657 174.888 176.600 -0.091 0.000 0.982 460 E CA -0.596 55.784 56.400 -0.033 0.000 0.842 460 E CB 2.526 32.232 29.700 0.011 0.000 1.144 460 E HN 0.699 nan 8.360 nan 0.000 0.397 461 I N 2.704 123.186 120.570 -0.147 0.000 2.787 461 I HA 0.233 4.403 4.170 0.000 0.000 0.294 461 I C -1.756 174.280 176.117 -0.135 0.000 1.365 461 I CA -0.718 60.512 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 52.848 53.050 -0.088 0.000 0.964 462 N CB 0.505 38.945 38.487 -0.078 0.000 1.252 462 N HN 0.727 nan 8.380 nan 0.000 0.512 463 L N 1.813 123.005 121.223 -0.051 0.000 1.963 463 L HA -0.281 4.059 4.340 0.000 0.000 0.220 463 L C 1.775 178.653 176.870 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 54.729 53.050 0.031 0.000 0.852 464 N CB -0.387 38.098 38.487 -0.004 0.000 1.018 464 N HN 0.367 nan 8.380 nan 0.000 0.423 465 A N 1.719 124.583 122.820 0.074 0.000 1.908 465 A HA -0.154 4.166 4.320 0.000 0.000 0.218 465 A C 2.124 179.797 177.584 0.149 0.000 1.181 465 A CA 1.280 53.397 52.037 0.133 0.000 0.627 465 A CB -0.542 18.505 19.000 0.079 0.000 0.818 465 A HN 0.282 nan 8.150 nan 0.000 0.445 466 N N 0.161 118.912 118.700 0.085 0.000 2.025 466 N HA -0.145 4.595 4.740 0.000 0.000 0.194 466 N C 1.821 177.395 175.510 0.106 0.000 1.044 466 N CA 1.741 54.832 53.050 0.069 0.000 0.851 466 N CB -0.469 38.039 38.487 0.035 0.000 1.036 466 N HN 0.497 nan 8.380 nan 0.000 0.422 467 L N 0.086 121.385 121.223 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 1.416 56.354 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 1.377 122.709 121.300 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 0.271 120.786 120.500 0.025 0.000 2.080 469 R HA -0.218 4.122 4.340 0.000 0.000 0.236 469 R C 1.907 178.182 176.300 -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 -0.149 118.583 118.700 0.053 0.000 2.137 470 N HA -0.209 4.531 4.740 0.000 0.000 0.190 470 N C 1.339 176.927 175.510 0.131 0.000 1.017 470 N CA 1.361 54.467 53.050 0.094 0.000 0.859 470 N CB -0.292 38.260 38.487 0.107 0.000 1.002 470 N HN 0.183 nan 8.380 nan 0.000 0.428 471 F N 0.798 120.744 119.950 -0.006 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 -0.103 0.000 1.096 471 F CA 1.020 59.015 58.000 -0.008 0.000 1.275 471 F CB -0.181 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 -1.156 119.903 121.223 -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 1.527 56.134 54.840 -0.388 0.000 0.745 472 L CB -1.052 40.725 42.059 -0.471 0.000 0.898 472 L HN 0.176 nan 8.230 nan 0.000 0.433 473 Y N 0.123 120.294 120.300 -0.216 0.000 2.145 473 Y HA -0.308 4.242 4.550 0.000 0.000 0.286 473 Y C 3.066 178.900 175.900 -0.110 0.000 1.145 473 Y CA 1.796 59.808 58.100 -0.146 0.000 1.148 473 Y CB -0.278 38.112 38.460 -0.118 0.000 0.981 473 Y HN 0.148 nan 8.280 nan 0.000 0.507 474 S N -0.091 115.603 115.700 -0.010 0.000 2.356 474 S HA -0.188 4.282 4.470 0.000 0.000 0.223 474 S C 1.798 176.428 174.600 0.050 0.000 1.032 474 S CA 1.783 59.975 58.200 -0.012 0.000 1.005 474 S CB -0.436 62.805 63.200 0.068 0.000 0.867 474 S HN 0.619 nan 8.310 nan 0.000 0.449 475 N N 0.044 118.685 118.700 -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 1.124 54.151 53.050 -0.038 0.000 0.897 475 N CB 0.061 38.275 38.487 -0.455 0.000 0.991 475 N HN 0.439 nan 8.380 nan 0.000 0.441 476 I N 0.608 121.106 120.570 -0.121 0.000 3.345 476 I HA 0.134 4.304 4.170 0.000 0.000 0.258 476 I C 2.261 178.341 176.117 -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 1.456 124.160 122.820 -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 2.138 53.993 52.037 -0.304 0.000 0.650 477 A CB -1.392 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 -2.255 118.668 121.223 -0.500 0.000 2.261 478 L HA -0.205 4.135 4.340 0.000 0.000 0.216 478 L C 2.003 178.576 176.870 -0.494 0.000 1.114 478 L CA 1.052 55.575 54.840 -0.528 0.000 0.777 478 L CB -0.434 41.269 42.059 -0.593 0.000 0.910 478 L HN 0.544 nan 8.230 nan 0.000 0.440 479 Y N -0.963 119.207 120.300 -0.217 0.000 2.466 479 Y HA 0.174 4.724 4.550 0.000 0.000 0.272 479 Y C 1.137 176.965 175.900 -0.120 0.000 1.169 479 Y CA -0.641 57.375 58.100 -0.140 0.000 1.285 479 Y CB -0.145 38.273 38.460 -0.069 0.000 1.078 479 Y HN 0.003 nan 8.280 nan 0.000 0.523 480 L N 2.255 123.444 121.223 -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 -1.653 53.138 54.840 -0.082 0.000 0.831 480 L CB 0.055 42.028 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 -0.068 0.000 0.876 482 D N 2.397 122.765 120.400 -0.054 0.000 2.158 482 D HA -0.222 4.418 4.640 0.000 0.000 0.197 482 D C 1.732 178.003 176.300 -0.048 0.000 0.995 482 D CA 1.438 55.415 54.000 -0.039 0.000 0.846 482 D CB -0.147 40.692 40.800 0.065 0.000 0.941 482 D HN 0.437 nan 8.370 nan 0.000 0.456 483 K N 0.363 120.734 120.400 -0.048 0.000 2.218 483 K HA -0.167 4.153 4.320 0.000 0.000 0.205 483 K C 1.835 178.385 176.600 -0.084 0.000 1.046 483 K CA 1.059 57.317 56.287 -0.048 0.000 0.933 483 K CB -0.385 32.093 32.500 -0.037 0.000 0.728 483 K HN 0.289 nan 8.250 nan 0.000 0.454 484 L N 0.676 121.807 121.223 -0.153 0.000 2.558 484 L HA 0.096 4.436 4.340 0.000 0.000 0.225 484 L C 0.888 177.698 176.870 -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 41.902 42.059 -0.322 0.000 1.006 484 L HN 0.097 nan 8.230 nan 0.000 0.454 485 K N -0.066 120.272 120.400 -0.103 0.000 2.209 485 K HA 0.465 4.785 4.320 0.000 0.000 0.238 485 K C -1.116 175.475 176.600 -0.016 0.000 1.028 485 K CA -0.623 55.585 56.287 -0.132 0.000 0.935 485 K CB 1.227 33.586 32.500 -0.234 0.000 1.162 485 K HN -0.140 nan 8.250 nan 0.000 0.485 486 Y N -3.026 117.200 120.300 -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 -1.170 56.868 58.100 -0.102 0.000 1.033 486 Y CB 0.917 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 4.474 120.242 115.700 0.113 0.000 2.565 487 S HA 0.421 4.891 4.470 0.000 0.000 0.276 487 S C -2.456 172.217 174.600 0.122 0.000 1.326 487 S CA -0.859 57.352 58.200 0.018 0.000 1.045 487 S CB 0.277 63.490 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 0.494 32.190 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 0.415 174.993 174.600 -0.036 0.000 1.309 489 S CA -0.636 57.570 58.200 0.009 0.000 1.043 489 S CB -0.309 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 -0.892 117.784 118.700 -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 53.605 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 -0.458 119.436 119.914 -0.033 0.000 2.524 491 V HA 0.559 4.679 4.120 0.000 0.000 0.297 491 V C 0.604 176.688 176.094 -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 33.680 31.823 -0.020 0.000 1.004 491 V HN 0.335 nan 8.190 nan 0.000 0.426 492 K N 4.676 125.068 120.400 -0.012 0.000 2.448 492 K HA 0.633 4.953 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 0.334 56.617 56.287 -0.005 0.000 0.995 492 K CB 0.642 33.141 32.500 -0.001 0.000 0.917 492 K HN 0.772 nan 8.250 nan 0.000 0.481 493 I N 1.037 121.608 120.570 0.003 0.000 2.722 493 I HA 0.331 4.501 4.170 0.000 0.000 0.295 493 I C 0.322 176.473 176.117 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 -0.018 0.000 1.244 493 I HN 0.841 nan 8.210 nan 0.000 0.421 494 S N 3.703 119.450 115.700 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 0.800 121.212 120.400 0.021 0.000 2.327 495 D HA 0.126 4.766 4.640 0.000 0.000 0.205 495 D C 0.008 176.224 176.300 -0.139 0.000 0.989 495 D CA 0.292 54.273 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 0.798 119.421 118.700 -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 -1.911 51.031 53.050 -0.181 0.000 0.947 496 N CB 1.433 39.872 38.487 -0.080 0.000 1.111 496 N HN -0.113 nan 8.380 nan 0.000 0.497 497 P HA 0.013 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 0.783 63.366 63.100 -0.862 0.000 0.777 497 P CB 0.420 31.691 31.700 -0.715 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 0.526 176.035 175.510 -0.001 0.000 1.141 498 N CA 0.546 53.573 53.050 -0.038 0.000 0.851 498 N CB -0.322 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 -0.323 114.234 114.554 0.005 0.000 2.922 499 T HA 0.084 4.434 4.350 0.000 0.000 0.285 499 T C 0.963 175.719 174.700 0.094 0.000 1.005 499 T CA -0.438 61.696 62.100 0.056 0.000 1.061 499 T CB 1.263 70.161 68.868 0.049 0.000 1.007 499 T HN 0.145 nan 8.240 nan 0.000 0.502 500 Y N 2.238 122.523 120.300 -0.025 0.000 2.220 500 Y HA -0.077 4.473 4.550 0.000 0.000 0.291 500 Y C 2.183 178.036 175.900 -0.078 0.000 1.129 500 Y CA 2.080 60.142 58.100 -0.063 0.000 1.161 500 Y CB -0.204 38.204 38.460 -0.086 0.000 0.997 500 Y HN 0.849 nan 8.280 nan 0.000 0.522 501 D N -0.929 119.482 120.400 0.019 0.000 2.133 501 D HA -0.314 4.326 4.640 0.000 0.000 0.195 501 D C 2.027 178.220 176.300 -0.178 0.000 0.997 501 D CA 1.861 55.808 54.000 -0.089 0.000 0.840 501 D CB -0.536 40.275 40.800 0.017 0.000 0.947 501 D HN 0.487 nan 8.370 nan 0.000 0.452 502 Y N 0.503 120.688 120.300 -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 59.837 58.100 -0.184 0.000 1.123 502 Y CB -0.377 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 -0.217 119.264 119.600 -0.200 0.000 2.202 503 M HA -0.236 4.244 4.480 0.000 0.000 0.262 503 M C 1.793 177.778 176.300 -0.525 0.000 1.063 503 M CA 2.052 57.152 55.300 -0.334 0.000 1.097 503 M CB -0.472 31.981 32.600 -0.245 0.000 1.382 503 M HN 0.308 nan 8.290 nan 0.000 0.413 504 N N 0.381 118.675 118.700 -0.676 0.000 2.376 504 N HA -0.055 4.685 4.740 0.000 0.000 0.177 504 N C 1.306 176.422 175.510 -0.656 0.000 1.024 504 N CA 1.032 53.623 53.050 -0.766 0.000 0.893 504 N CB 0.243 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 -0.558 119.517 120.400 -0.542 0.000 2.276 505 K HA 0.198 4.518 4.320 0.000 0.000 0.198 505 K C 0.001 176.378 176.600 -0.373 0.000 1.052 505 K CA -0.160 55.884 56.287 -0.404 0.000 0.984 505 K CB 0.350 32.674 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 -0.043 175.993 176.300 -0.441 0.000 0.988 506 R CA 0.193 55.981 56.100 -0.520 0.000 1.077 506 R CB 0.233 30.157 30.300 -0.627 0.000 0.932 506 R HN 0.015 nan 8.270 nan 0.000 0.409 507 V N 2.808 122.399 119.914 -0.539 0.000 2.612 507 V HA 0.574 4.694 4.120 0.000 0.000 0.301 507 V C -0.480 175.227 176.094 -0.645 0.000 1.046 507 V CA -0.680 61.274 62.300 -0.576 0.000 0.946 507 V CB 2.042 33.488 31.823 -0.628 0.000 1.003 507 V HN 0.446 nan 8.190 nan 0.000 0.459 508 V N 5.967 125.673 119.914 -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 1.684 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 7.921 130.767 122.820 0.045 0.000 2.404 509 A HA 0.596 4.916 4.320 0.000 0.000 0.273 509 A C -1.630 176.039 177.584 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 0.058 0.000 1.148 510 P CA 1.675 64.874 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 -0.327 120.926 121.223 0.051 0.000 2.109 512 L HA 0.058 4.398 4.340 0.000 0.000 0.207 512 L C 0.874 177.788 176.870 0.073 0.000 1.086 512 L CA 0.557 55.439 54.840 0.070 0.000 0.760 512 L CB 0.142 42.228 42.059 0.044 0.000 0.910 512 L HN 0.036 nan 8.230 nan 0.000 0.437 513 V N -0.785 119.139 119.914 0.017 0.000 2.468 513 V HA 0.221 4.341 4.120 0.000 0.000 0.256 513 V C -0.405 175.607 176.094 -0.135 0.000 0.998 513 V CA -0.582 61.698 62.300 -0.034 0.000 1.114 513 V CB 0.516 32.309 31.823 -0.049 0.000 1.378 513 V HN 0.102 nan 8.190 nan 0.000 0.573 514 D N 0.554 120.810 120.400 -0.240 0.000 2.383 514 D HA 0.129 4.769 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 -0.011 53.719 54.000 -0.450 0.000 0.977 514 D CB 2.251 42.629 40.800 -0.703 0.000 1.120 514 D HN 0.537 nan 8.370 nan 0.000 0.481 515 C N 0.653 119.724 119.300 -0.381 0.000 2.400 515 C HA -0.161 4.299 4.460 0.000 0.000 0.291 515 C C 1.906 176.968 174.990 0.120 0.000 1.372 515 C CA 0.185 59.161 59.018 -0.070 0.000 1.800 515 C CB -2.138 25.720 27.740 0.198 0.000 1.869 515 C HN 0.612 nan 8.230 nan 0.000 0.533 516 Y N -1.141 119.265 120.300 0.176 0.000 2.532 516 Y HA 0.592 5.142 4.550 0.000 0.000 0.283 516 Y C 0.788 176.760 175.900 0.120 0.000 1.181 516 Y CA -2.164 56.020 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 3.441 124.091 120.570 0.134 0.000 2.533 517 I HA 0.036 4.206 4.170 0.000 0.000 0.284 517 I C 0.167 176.387 176.117 0.172 0.000 1.109 517 I CA 0.159 61.557 61.300 0.164 0.000 1.412 517 I CB -0.400 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 5.548 124.327 118.700 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 53.594 53.050 0.070 0.000 0.777 518 N CB -0.908 37.622 38.487 0.071 0.000 0.907 518 N HN 0.550 nan 8.380 nan 0.000 0.543 519 L N 0.101 121.381 121.223 0.095 0.000 2.578 519 L HA 0.015 4.355 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 1.212 56.107 54.840 0.091 0.000 0.900 519 L CB 0.087 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 -0.233 3.727 3.960 0.000 0.000 0.260 520 G HA3 -0.233 3.727 3.960 0.000 0.000 0.260 520 G C 0.162 175.090 174.900 0.046 0.000 0.976 520 G CA 0.152 45.276 45.100 0.039 0.000 0.655 520 G HN 0.999 nan 8.290 nan 0.000 0.533 521 A N -0.669 122.191 122.820 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 51.924 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 0.687 nan 8.150 nan 0.000 0.472 522 R N 1.477 122.083 120.500 0.176 0.000 2.575 522 R HA 0.292 4.632 4.340 0.000 0.000 0.281 522 R C -1.595 174.869 176.300 0.273 0.000 1.272 522 R CA -0.169 56.036 56.100 0.175 0.000 1.417 522 R CB 0.424 30.789 30.300 0.109 0.000 1.121 522 R HN 0.773 nan 8.270 nan 0.000 0.583 523 W N 3.519 124.828 121.300 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 2.212 31.675 29.460 0.005 0.000 1.405 523 W HN 0.487 nan 8.180 nan 0.000 0.493 524 S N 4.811 120.194 115.700 -0.527 0.000 2.537 524 S HA 0.490 4.960 4.470 0.000 0.000 0.275 524 S C -0.180 174.150 174.600 -0.451 0.000 1.272 524 S CA -0.695 57.261 58.200 -0.405 0.000 1.050 524 S CB 1.398 64.344 63.200 -0.424 0.000 0.961 524 S HN 0.439 nan 8.310 nan 0.000 0.496 525 L N 2.814 123.964 121.223 -0.123 0.000 2.499 525 L HA 0.063 4.403 4.340 0.000 0.000 0.273 525 L C 0.944 177.776 176.870 -0.064 0.000 1.195 525 L CA -0.303 54.549 54.840 0.019 0.000 0.882 525 L CB 0.123 42.240 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 1.623 177.899 176.300 -0.039 0.000 0.971 526 D CA 1.414 55.374 54.000 -0.067 0.000 0.867 526 D CB 0.122 40.910 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 -0.607 119.075 119.600 0.137 0.000 2.541 528 M HA -0.048 4.432 4.480 0.000 0.000 0.252 528 M C 1.055 177.344 176.300 -0.018 0.000 1.125 528 M CA 0.630 55.950 55.300 0.034 0.000 1.091 528 M CB -0.725 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 1.097 177.495 176.300 0.164 0.000 0.998 529 D CA 1.232 55.188 54.000 -0.074 0.000 0.836 529 D CB -0.245 40.437 40.800 -0.197 0.000 0.951 529 D HN 0.335 nan 8.370 nan 0.000 0.449 530 N N 0.021 118.858 118.700 0.230 0.000 2.314 530 N HA 0.032 4.772 4.740 0.000 0.000 0.200 530 N C -0.459 175.265 175.510 0.356 0.000 1.135 530 N CA 0.016 53.269 53.050 0.339 0.000 0.835 530 N CB 0.947 39.576 38.487 0.236 0.000 0.989 530 N HN 0.012 nan 8.380 nan 0.000 0.478 531 V N 1.679 121.702 119.914 0.181 0.000 2.407 531 V HA 0.117 4.237 4.120 0.000 0.000 0.278 531 V C 0.585 176.526 176.094 -0.255 0.000 1.037 531 V CA -1.152 61.177 62.300 0.049 0.000 0.900 531 V CB 1.338 33.174 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 0.023 4.763 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 -1.196 51.288 53.050 -0.943 0.000 0.891 532 N CB 1.419 39.692 38.487 -0.357 0.000 1.139 532 N HN 0.339 nan 8.380 nan 0.000 0.487 533 P HA -0.033 nan 4.420 nan 0.000 0.225 533 P C 0.853 177.800 177.300 -0.588 0.000 1.156 533 P CA 0.984 63.641 63.100 -0.738 0.000 0.787 533 P CB 0.002 30.963 31.700 -1.230 0.000 0.802 534 F N -0.198 119.724 119.950 -0.046 0.000 2.367 534 F HA 0.022 4.549 4.527 0.000 0.000 0.298 534 F C 1.104 176.951 175.800 0.080 0.000 1.094 534 F CA 0.403 58.447 58.000 0.073 0.000 1.409 534 F CB -1.153 37.910 39.000 0.105 0.000 1.064 534 F HN -0.153 nan 8.300 nan 0.000 0.528 535 N N 1.460 120.275 118.700 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 53.603 53.050 0.204 0.000 1.065 535 N CB -0.488 38.124 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 0.768 176.148 175.328 0.086 0.000 1.260 536 H CA -0.381 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 2.326 121.439 119.070 0.072 0.000 2.546 537 H HA 0.069 4.625 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 0.458 56.692 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 0.938 121.466 120.500 0.046 0.000 2.388 538 R HA 0.032 4.372 4.340 0.000 0.000 0.247 538 R C 0.119 176.425 176.300 0.011 0.000 0.931 538 R CA -0.242 55.845 56.100 -0.022 0.000 1.082 538 R CB 0.119 30.326 30.300 -0.154 0.000 1.135 538 R HN 0.111 nan 8.270 nan 0.000 0.525 539 N N 1.206 119.943 118.700 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 1.265 39.838 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 -1.139 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 -0.124 108.694 108.800 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 0.486 121.695 121.223 -0.024 0.000 2.056 542 L HA 0.129 4.469 4.340 0.000 0.000 0.207 542 L C 2.668 179.492 176.870 -0.077 0.000 1.078 542 L CA 2.166 56.999 54.840 -0.012 0.000 0.749 542 L CB -0.615 41.475 42.059 0.051 0.000 0.901 542 L HN 0.231 nan 8.230 nan 0.000 0.433 543 R N -1.674 118.714 120.500 -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 2.159 57.996 56.100 -0.439 0.000 0.951 543 R CB -0.715 29.309 30.300 -0.459 0.000 0.851 543 R HN 0.580 nan 8.270 nan 0.000 0.434 544 Y N 0.760 120.971 120.300 -0.149 0.000 2.181 544 Y HA -0.174 4.376 4.550 0.000 0.000 0.288 544 Y C 2.125 177.977 175.900 -0.080 0.000 1.146 544 Y CA 1.741 59.790 58.100 -0.084 0.000 1.164 544 Y CB -0.009 38.385 38.460 -0.111 0.000 0.982 544 Y HN -0.019 nan 8.280 nan 0.000 0.515 545 R N -0.579 119.885 120.500 -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 0.302 nan 8.270 nan 0.000 0.445 546 S N 0.295 115.987 115.700 -0.014 0.000 2.368 546 S HA -0.112 4.358 4.470 0.000 0.000 0.224 546 S C 1.878 176.529 174.600 0.086 0.000 1.029 546 S CA 1.106 59.361 58.200 0.091 0.000 0.988 546 S CB 0.028 63.417 63.200 0.315 0.000 0.838 546 S HN 0.207 nan 8.310 nan 0.000 0.462 547 M N 0.438 120.054 119.600 0.027 0.000 2.319 547 M HA 0.020 4.500 4.480 0.000 0.000 0.265 547 M C 1.853 178.105 176.300 -0.079 0.000 1.068 547 M CA 0.590 55.900 55.300 0.017 0.000 1.118 547 M CB -0.288 32.324 32.600 0.019 0.000 1.395 547 M HN 0.288 nan 8.290 nan 0.000 0.435 548 L N 0.500 121.597 121.223 -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 1.839 56.550 54.840 -0.216 0.000 0.757 548 L CB -0.638 41.248 42.059 -0.288 0.000 0.899 548 L HN 0.314 nan 8.230 nan 0.000 0.434 549 L N -2.048 119.173 121.223 -0.004 0.000 2.209 549 L HA 0.260 4.600 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 0.499 55.367 54.840 0.046 0.000 0.790 549 L CB -0.381 41.685 42.059 0.011 0.000 0.932 549 L HN 0.443 nan 8.230 nan 0.000 0.447 550 G N 0.109 108.939 108.800 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 -0.479 174.521 174.900 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 0.076 118.888 118.700 0.187 0.000 2.203 551 N HA 0.341 5.081 4.740 0.000 0.000 0.207 551 N C 0.730 176.446 175.510 0.343 0.000 1.130 551 N CA 0.791 54.008 53.050 0.279 0.000 0.861 551 N CB 1.015 39.600 38.487 0.164 0.000 1.005 551 N HN 1.121 nan 8.380 nan 0.000 0.507 552 G N -0.118 108.834 108.800 0.252 0.000 2.432 552 G HA2 0.312 4.272 3.960 0.000 0.000 0.331 552 G HA3 0.312 4.272 3.960 0.000 0.000 0.331 552 G C 0.400 175.320 174.900 0.033 0.000 1.170 552 G CA -0.733 44.478 45.100 0.186 0.000 0.943 552 G HN 0.026 nan 8.290 nan 0.000 0.483 553 R N -0.301 120.163 120.500 -0.059 0.000 2.080 553 R HA -0.088 4.252 4.340 0.000 0.000 0.236 553 R C -0.088 175.964 176.300 -0.414 0.000 1.137 553 R CA 1.115 57.010 56.100 -0.341 0.000 0.943 553 R CB -0.292 29.634 30.300 -0.623 0.000 0.846 553 R HN 0.520 nan 8.270 nan 0.000 0.431 554 Y N 0.188 120.480 120.300 -0.013 0.000 2.365 554 Y HA 0.298 4.848 4.550 0.000 0.000 0.340 554 Y C -0.388 175.514 175.900 0.003 0.000 1.016 554 Y CA -0.651 57.443 58.100 -0.010 0.000 1.196 554 Y CB 1.401 39.866 38.460 0.009 0.000 1.167 554 Y HN -0.236 nan 8.280 nan 0.000 0.509 555 V N 5.736 125.749 119.914 0.165 0.000 2.569 555 V HA 0.416 4.536 4.120 0.000 0.000 0.301 555 V C -2.594 173.625 176.094 0.209 0.000 1.044 555 V CA -2.163 60.229 62.300 0.153 0.000 0.874 555 V CB 2.194 34.080 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 -1.039 176.350 177.300 0.148 0.000 1.300 556 P CA -0.198 62.942 63.100 0.066 0.000 0.792 556 P CB 0.645 32.351 31.700 0.011 0.000 0.925 557 F N 0.125 120.147 119.950 0.121 0.000 2.556 557 F HA 0.673 5.200 4.527 0.000 0.000 0.327 557 F C -0.571 175.331 175.800 0.169 0.000 1.059 557 F CA -1.122 56.979 58.000 0.169 0.000 0.953 557 F CB 1.742 40.909 39.000 0.278 0.000 1.227 557 F HN 0.358 nan 8.300 nan 0.000 0.478 558 H N 3.853 123.066 119.070 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 -0.883 55.226 56.048 0.103 0.000 1.413 558 H CB 1.476 31.257 29.762 0.031 0.000 1.670 558 H HN 0.874 nan 8.280 nan 0.000 0.512 559 I N 0.964 121.643 120.570 0.181 0.000 3.145 559 I HA 0.527 4.697 4.170 0.000 0.000 0.313 559 I C -1.572 174.466 176.117 -0.132 0.000 1.122 559 I CA -1.264 59.975 61.300 -0.100 0.000 0.987 559 I CB 2.718 40.487 38.000 -0.385 0.000 1.236 559 I HN 0.398 nan 8.210 nan 0.000 0.453 560 Q N 2.452 122.147 119.800 -0.176 0.000 2.327 560 Q HA 0.609 4.949 4.340 0.000 0.000 0.270 560 Q C -1.243 174.865 176.000 0.179 0.000 1.022 560 Q CA -0.522 55.267 55.803 -0.025 0.000 0.773 560 Q CB 2.525 31.009 28.738 -0.423 0.000 1.251 560 Q HN 0.551 nan 8.270 nan 0.000 0.457 561 V N 4.241 124.299 119.914 0.240 0.000 2.435 561 V HA 0.621 4.741 4.120 0.000 0.000 0.290 561 V C -2.221 174.022 176.094 0.248 0.000 1.030 561 V CA -1.966 60.474 62.300 0.233 0.000 0.881 561 V CB 1.481 33.358 31.823 0.090 0.000 0.983 561 V HN 0.671 nan 8.190 nan 0.000 0.445 562 P HA 0.348 nan 4.420 nan 0.000 0.287 562 P C -1.262 175.887 177.300 -0.251 0.000 1.270 562 P CA -0.794 62.080 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 1.357 120.989 119.800 -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 0.608 56.280 55.803 -0.219 0.000 0.936 563 Q CB 0.749 29.359 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 -0.171 0.000 2.370 564 K HA 0.153 4.473 4.320 0.000 0.000 0.194 564 K C -0.222 176.275 176.600 -0.172 0.000 1.070 564 K CA -0.259 55.798 56.287 -0.382 0.000 0.998 564 K CB 0.293 32.373 32.500 -0.700 0.000 0.911 564 K HN 0.494 nan 8.250 nan 0.000 0.533 565 F N 2.806 122.649 119.950 -0.178 0.000 2.580 565 F HA -0.148 4.379 4.527 0.000 0.000 0.398 565 F C 1.082 176.873 175.800 -0.016 0.000 1.023 565 F CA -0.867 57.130 58.000 -0.004 0.000 1.188 565 F CB 0.196 39.352 39.000 0.261 0.000 1.005 565 F HN 0.070 nan 8.300 nan 0.000 0.546 566 F N 4.382 123.947 119.950 -0.642 0.000 2.161 566 F HA -0.082 4.445 4.527 0.000 0.000 0.300 566 F C 1.740 177.254 175.800 -0.476 0.000 1.089 566 F CA 1.327 59.050 58.000 -0.461 0.000 1.282 566 F CB -1.195 37.619 39.000 -0.310 0.000 1.010 566 F HN 0.382 nan 8.300 nan 0.000 0.485 567 A N 1.056 122.923 122.820 -1.588 0.000 2.119 567 A HA 0.079 4.399 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 1.528 52.990 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 -4.043 116.312 120.570 -0.358 0.000 4.456 568 I HA 0.157 4.327 4.170 0.000 0.000 0.329 568 I C 1.722 177.639 176.117 -0.333 0.000 1.313 568 I CA 0.506 61.641 61.300 -0.275 0.000 1.205 568 I CB -0.031 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 2.194 122.411 120.400 -0.305 0.000 2.113 569 K HA -0.139 4.181 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 2.508 58.651 56.287 -0.241 0.000 0.928 569 K CB -0.691 31.718 32.500 -0.153 0.000 0.716 569 K HN 0.502 nan 8.250 nan 0.000 0.446 570 N N 0.230 118.692 118.700 -0.396 0.000 2.177 570 N HA 0.143 4.883 4.740 0.000 0.000 0.218 570 N C -0.835 174.534 175.510 -0.234 0.000 1.182 570 N CA -0.512 52.389 53.050 -0.248 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 1.510 122.488 121.223 -0.408 0.000 2.490 571 L HA 0.200 4.540 4.340 0.000 0.000 0.274 571 L C -0.427 176.391 176.870 -0.088 0.000 1.201 571 L CA -0.157 54.570 54.840 -0.189 0.000 0.869 571 L CB 0.470 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 5.811 127.041 121.223 0.011 0.000 2.259 572 L HA 0.388 4.728 4.340 0.000 0.000 0.288 572 L C -0.821 176.019 176.870 -0.051 0.000 1.051 572 L CA -0.184 54.642 54.840 -0.023 0.000 0.824 572 L CB 0.793 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 5.764 126.918 121.223 -0.116 0.000 2.313 573 L HA 0.364 4.704 4.340 0.000 0.000 0.282 573 L C -0.208 176.645 176.870 -0.030 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 5.853 127.098 121.223 0.036 0.000 2.479 574 L HA 0.442 4.782 4.340 0.000 0.000 0.249 574 L C -1.889 175.116 176.870 0.226 0.000 1.178 574 L CA -2.089 52.819 54.840 0.113 0.000 0.811 574 L CB 0.034 42.145 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 0.237 63.440 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 0.342 109.184 108.800 0.070 0.000 2.368 576 G HA2 0.222 4.182 3.960 0.000 0.000 0.302 576 G HA3 0.222 4.182 3.960 0.000 0.000 0.302 576 G C -1.478 173.192 174.900 -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 -0.191 115.184 115.700 -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 57.641 58.200 -0.365 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 0.329 120.637 120.300 0.014 0.000 2.536 578 Y HA 0.432 4.982 4.550 0.000 0.000 0.347 578 Y C 0.564 176.505 175.900 0.068 0.000 1.000 578 Y CA -1.088 57.031 58.100 0.031 0.000 1.051 578 Y CB 1.253 39.715 38.460 0.003 0.000 1.259 578 Y HN 0.320 nan 8.280 nan 0.000 0.468 579 T N 2.721 117.434 114.554 0.264 0.000 2.738 579 T HA 0.193 4.543 4.350 0.000 0.000 0.298 579 T C -1.592 173.323 174.700 0.359 0.000 0.962 579 T CA -0.226 62.020 62.100 0.243 0.000 0.972 579 T CB -0.403 68.559 68.868 0.157 0.000 0.928 579 T HN 0.392 nan 8.240 nan 0.000 0.474 580 Y N 3.597 124.038 120.300 0.234 0.000 2.328 580 Y HA 0.514 5.064 4.550 0.000 0.000 0.333 580 Y C -0.195 175.961 175.900 0.427 0.000 0.958 580 Y CA -1.752 56.534 58.100 0.311 0.000 1.167 580 Y CB 0.875 39.487 38.460 0.253 0.000 1.151 580 Y HN 0.630 nan 8.280 nan 0.000 0.470 581 E N 6.100 126.465 120.200 0.275 0.000 2.314 581 E HA 0.334 4.684 4.350 0.000 0.000 0.272 581 E C -1.925 174.729 176.600 0.090 0.000 0.884 581 E CA -0.542 55.940 56.400 0.137 0.000 0.753 581 E CB 1.671 31.397 29.700 0.043 0.000 1.213 581 E HN 0.694 nan 8.360 nan 0.000 0.432 582 W N 2.582 123.749 121.300 -0.222 0.000 3.118 582 W HA 0.382 5.042 4.660 -0.000 0.000 0.328 582 W C -1.149 175.119 176.519 -0.419 0.000 1.239 582 W CA -0.632 56.467 57.345 -0.409 0.000 1.176 582 W CB 2.227 31.284 29.460 -0.672 0.000 1.433 582 W HN 0.529 nan 8.180 nan 0.000 0.562 583 N N 2.165 120.609 118.700 -0.426 0.000 2.399 583 N HA 0.485 5.225 4.740 0.000 0.000 0.295 583 N C -1.540 173.850 175.510 -0.200 0.000 1.048 583 N CA -0.252 52.691 53.050 -0.180 0.000 0.886 583 N CB 1.685 40.033 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 0.273 0.000 2.520 584 F HA 0.459 4.986 4.527 0.000 0.000 0.322 584 F C 1.024 177.027 175.800 0.339 0.000 1.103 584 F CA -0.879 57.230 58.000 0.181 0.000 0.926 584 F CB 1.338 40.254 39.000 -0.141 0.000 1.154 584 F HN 0.086 nan 8.300 nan 0.000 0.453 585 R N 1.454 122.134 120.500 0.299 0.000 2.582 585 R HA 0.300 4.639 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 -0.203 56.049 56.100 0.254 0.000 1.127 585 R CB 0.857 31.122 30.300 -0.058 0.000 1.038 585 R HN 0.713 nan 8.270 nan 0.000 0.500 586 K N 0.307 120.964 120.400 0.428 0.000 2.450 586 K HA 0.012 4.332 4.320 0.000 0.000 0.206 586 K C -0.472 176.276 176.600 0.247 0.000 1.148 586 K CA -0.080 56.410 56.287 0.340 0.000 1.014 586 K CB 0.602 33.289 32.500 0.313 0.000 0.966 586 K HN 0.484 nan 8.250 nan 0.000 0.566 587 D N 1.995 122.573 120.400 0.298 0.000 2.389 587 D HA -0.053 4.587 4.640 0.000 0.000 0.263 587 D C 1.386 177.790 176.300 0.173 0.000 1.255 587 D CA -0.035 54.130 54.000 0.275 0.000 0.914 587 D CB 1.192 42.170 40.800 0.298 0.000 1.116 587 D HN -0.033 nan 8.370 nan 0.000 0.502 588 V N 2.489 122.475 119.914 0.120 0.000 2.469 588 V HA -0.238 3.882 4.120 0.000 0.000 0.251 588 V C 1.693 177.814 176.094 0.045 0.000 1.064 588 V CA 1.429 63.756 62.300 0.046 0.000 1.066 588 V CB -0.623 31.196 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 0.017 4.757 4.740 0.000 0.000 0.183 589 N C 1.566 177.193 175.510 0.196 0.000 1.041 589 N CA 1.540 54.634 53.050 0.074 0.000 0.900 589 N CB -0.151 38.355 38.487 0.033 0.000 0.961 589 N HN 0.488 nan 8.380 nan 0.000 0.443 590 M N -0.765 118.948 119.600 0.188 0.000 2.557 590 M HA 0.097 4.577 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 0.616 56.023 55.300 0.177 0.000 1.194 590 M CB -0.832 31.833 32.600 0.109 0.000 1.311 590 M HN 0.018 nan 8.290 nan 0.000 0.489 591 V N -0.724 119.282 119.914 0.155 0.000 2.871 591 V HA 0.134 4.254 4.120 0.000 0.000 0.256 591 V C 0.954 177.136 176.094 0.146 0.000 1.082 591 V CA 0.541 62.969 62.300 0.213 0.000 1.105 591 V CB -0.354 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 0.920 122.154 121.223 0.018 0.000 2.322 592 L HA 0.639 4.979 4.340 0.000 0.000 0.269 592 L C -0.386 176.460 176.870 -0.041 0.000 1.012 592 L CA -0.463 54.321 54.840 -0.093 0.000 0.815 592 L CB 1.743 43.681 42.059 -0.202 0.000 1.295 592 L HN 0.276 nan 8.230 nan 0.000 0.438 593 Q N 1.118 120.884 119.800 -0.056 0.000 2.331 593 Q HA 0.557 4.897 4.340 0.000 0.000 0.272 593 Q C -1.529 174.456 176.000 -0.025 0.000 1.062 593 Q CA -0.560 55.224 55.803 -0.033 0.000 0.806 593 Q CB 2.520 31.267 28.738 0.015 0.000 1.312 593 Q HN 0.775 nan 8.270 nan 0.000 0.431 594 S N 0.795 116.473 115.700 -0.035 0.000 2.600 594 S HA 0.411 4.881 4.470 0.000 0.000 0.300 594 S C 0.561 175.199 174.600 0.065 0.000 1.087 594 S CA -0.075 58.137 58.200 0.020 0.000 0.965 594 S CB 1.685 64.874 63.200 -0.018 0.000 1.089 594 S HN 0.733 nan 8.310 nan 0.000 0.496 595 S N 0.854 116.643 115.700 0.147 0.000 2.436 595 S HA 0.005 4.475 4.470 0.000 0.000 0.228 595 S C 1.375 176.080 174.600 0.176 0.000 1.014 595 S CA 0.268 58.587 58.200 0.199 0.000 0.950 595 S CB -0.546 62.842 63.200 0.313 0.000 0.784 595 S HN 0.489 nan 8.310 nan 0.000 0.504 596 L N 1.561 122.854 121.223 0.116 0.000 2.375 596 L HA 0.372 4.712 4.340 0.000 0.000 0.215 596 L C 1.949 178.848 176.870 0.049 0.000 1.108 596 L CA 1.139 56.030 54.840 0.084 0.000 0.830 596 L CB -1.470 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 0.357 109.140 108.800 -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 -0.160 0.000 1.008 597 G CA 0.497 45.472 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 -0.391 175.078 175.510 -0.069 0.000 1.323 598 N CA 0.074 53.113 53.050 -0.018 0.000 0.897 598 N CB 0.548 39.070 38.487 0.058 0.000 1.146 598 N HN 0.116 nan 8.380 nan 0.000 0.460 599 D N 0.278 120.654 120.400 -0.039 0.000 2.402 599 D HA 0.118 4.758 4.640 0.000 0.000 0.235 599 D C 1.109 177.384 176.300 -0.041 0.000 1.226 599 D CA -0.302 53.665 54.000 -0.055 0.000 0.918 599 D CB -0.089 40.691 40.800 -0.034 0.000 1.043 599 D HN 0.478 nan 8.370 nan 0.000 0.506 600 L N 3.572 124.759 121.223 -0.060 0.000 2.265 600 L HA -0.147 4.193 4.340 0.000 0.000 0.215 600 L C 2.421 179.280 176.870 -0.018 0.000 1.117 600 L CA 0.677 55.489 54.840 -0.047 0.000 0.782 600 L CB -0.225 41.795 42.059 -0.065 0.000 0.914 600 L HN 0.343 nan 8.230 nan 0.000 0.441 601 R N -0.497 120.004 120.500 0.001 0.000 2.066 601 R HA -0.078 4.262 4.340 0.000 0.000 0.232 601 R C 2.199 178.513 176.300 0.023 0.000 1.131 601 R CA 1.093 57.212 56.100 0.031 0.000 0.955 601 R CB -0.837 29.503 30.300 0.066 0.000 0.851 601 R HN 0.179 nan 8.270 nan 0.000 0.432 602 V N 2.235 122.159 119.914 0.015 0.000 2.453 602 V HA -0.143 3.977 4.120 0.000 0.000 0.247 602 V C 0.943 177.043 176.094 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 0.252 120.652 120.400 -0.000 0.000 2.332 603 D HA 0.163 4.803 4.640 0.000 0.000 0.244 603 D C 1.689 177.973 176.300 -0.027 0.000 1.136 603 D CA 0.948 54.941 54.000 -0.011 0.000 0.884 603 D CB -0.104 40.691 40.800 -0.010 0.000 0.906 603 D HN 0.493 nan 8.370 nan 0.000 0.520 604 G N 0.275 109.067 108.800 -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 0.274 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 -0.531 122.264 122.820 -0.041 0.000 2.407 605 A HA 0.766 5.086 4.320 0.000 0.000 0.248 605 A C 0.637 178.198 177.584 -0.039 0.000 1.082 605 A CA 1.081 53.080 52.037 -0.063 0.000 0.785 605 A CB 0.965 19.910 19.000 -0.092 0.000 1.020 605 A HN 1.476 nan 8.150 nan 0.000 0.489 606 S N 0.453 116.128 115.700 -0.043 0.000 2.564 606 S HA 0.745 5.215 4.470 0.000 0.000 0.274 606 S C -1.176 173.402 174.600 -0.038 0.000 1.124 606 S CA -0.481 57.706 58.200 -0.022 0.000 0.869 606 S CB 0.939 64.144 63.200 0.008 0.000 1.105 606 S HN 0.888 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 -1.574 174.442 176.117 -0.168 0.000 1.180 607 I CA -0.506 60.743 61.300 -0.085 0.000 1.040 607 I CB 1.718 39.626 38.000 -0.152 0.000 1.255 607 I HN 0.740 nan 8.210 nan 0.000 0.422 608 K N 6.687 127.003 120.400 -0.141 0.000 2.443 608 K HA 0.470 4.790 4.320 0.000 0.000 0.252 608 K C -2.111 174.368 176.600 -0.200 0.000 0.933 608 K CA -0.492 55.691 56.287 -0.175 0.000 0.792 608 K CB 1.442 33.910 32.500 -0.053 0.000 1.185 608 K HN 0.326 nan 8.250 nan 0.000 0.425 609 F N 3.320 123.290 119.950 0.035 0.000 2.404 609 F HA 0.218 4.745 4.527 0.000 0.000 0.358 609 F C 0.856 176.575 175.800 -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 40.030 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 0.015 4.655 4.640 0.000 0.000 0.212 610 D C 0.495 176.785 176.300 -0.017 0.000 0.964 610 D CA 0.976 54.965 54.000 -0.019 0.000 0.875 610 D CB 0.431 41.179 40.800 -0.086 0.000 0.996 610 D HN 0.427 nan 8.370 nan 0.000 0.497 611 S N -0.422 115.232 115.700 -0.078 0.000 2.542 611 S HA 0.540 5.010 4.470 0.000 0.000 0.276 611 S C -1.243 173.292 174.600 -0.107 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 2.224 122.759 120.570 -0.058 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 5.916 125.374 119.300 0.263 0.000 2.630 613 C HA 0.723 5.183 4.460 0.000 0.000 0.346 613 C C -0.679 174.384 174.990 0.122 0.000 1.245 613 C CA -0.633 58.550 59.018 0.275 0.000 1.804 613 C CB 1.725 29.563 27.740 0.164 0.000 2.279 613 C HN 0.689 nan 8.230 nan 0.000 0.498 614 L N 1.837 122.971 121.223 -0.149 0.000 2.349 614 L HA 0.607 4.947 4.340 0.000 0.000 0.278 614 L C -1.480 175.242 176.870 -0.246 0.000 0.996 614 L CA -0.031 54.610 54.840 -0.333 0.000 0.825 614 L CB 0.311 41.900 42.059 -0.784 0.000 1.243 614 L HN 0.640 nan 8.230 nan 0.000 0.412 615 Y N 3.611 123.675 120.300 -0.394 0.000 2.420 615 Y HA 0.834 5.384 4.550 0.000 0.000 0.334 615 Y C 0.211 175.945 175.900 -0.276 0.000 1.094 615 Y CA -0.225 57.640 58.100 -0.392 0.000 1.126 615 Y CB 2.270 40.257 38.460 -0.787 0.000 1.217 615 Y HN 0.777 nan 8.280 nan 0.000 0.462 616 A N 1.514 124.399 122.820 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 51.372 52.037 0.070 0.000 0.718 616 A CB 0.910 19.977 19.000 0.113 0.000 1.266 616 A HN 0.589 nan 8.150 nan 0.000 0.403 617 T N 2.070 116.643 114.554 0.032 0.000 2.824 617 T HA 0.705 5.055 4.350 0.000 0.000 0.280 617 T C -0.980 173.735 174.700 0.025 0.000 0.995 617 T CA 0.109 62.297 62.100 0.147 0.000 1.009 617 T CB 0.336 69.302 68.868 0.163 0.000 0.955 617 T HN 0.333 nan 8.240 nan 0.000 0.452 618 F N 1.639 121.663 119.950 0.123 0.000 2.507 618 F HA 0.493 5.020 4.527 0.000 0.000 0.325 618 F C -0.114 175.782 175.800 0.160 0.000 1.116 618 F CA -1.833 56.253 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 6.151 126.235 119.950 0.224 0.000 2.543 619 F HA 0.291 4.818 4.527 0.000 0.000 0.375 619 F C -1.659 174.248 175.800 0.179 0.000 1.075 619 F CA -2.125 55.970 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 -0.056 177.309 177.300 0.108 0.000 1.748 620 P CA 0.021 63.120 63.100 -0.002 0.000 0.909 620 P CB -0.304 31.326 31.700 -0.117 0.000 1.882 621 M N 1.145 120.999 119.600 0.423 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 -0.058 55.544 55.300 0.503 0.000 1.088 621 M CB 0.557 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 4.266 127.248 122.820 0.270 0.000 2.540 622 A HA 0.011 4.331 4.320 0.000 0.000 0.239 622 A C 0.650 178.407 177.584 0.288 0.000 1.061 622 A CA 0.188 52.348 52.037 0.204 0.000 0.758 622 A CB -0.246 18.847 19.000 0.155 0.000 0.991 622 A HN 1.103 nan 8.150 nan 0.000 0.502 623 H N 1.999 121.119 119.070 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 1.422 57.511 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 0.851 119.665 118.700 0.190 0.000 2.084 624 N HA -0.125 4.615 4.740 0.000 0.000 0.190 624 N C 1.703 177.276 175.510 0.105 0.000 1.030 624 N CA 1.752 54.875 53.050 0.122 0.000 0.849 624 N CB -1.049 37.496 38.487 0.097 0.000 1.012 624 N HN 0.206 nan 8.380 nan 0.000 0.423 625 T N 1.418 116.043 114.554 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 1.994 64.153 62.100 0.098 0.000 1.150 625 T CB -0.679 68.255 68.868 0.110 0.000 0.864 625 T HN 0.515 nan 8.240 nan 0.000 0.427 626 A N 1.536 124.423 122.820 0.112 0.000 1.892 626 A HA -0.171 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 2.518 54.609 52.037 0.090 0.000 0.631 626 A CB -1.240 17.824 19.000 0.107 0.000 0.822 626 A HN 0.525 nan 8.150 nan 0.000 0.447 627 S N -1.231 114.502 115.700 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 2.341 60.565 58.200 0.039 0.000 1.011 627 S CB -0.805 62.421 63.200 0.043 0.000 0.852 627 S HN 0.561 nan 8.310 nan 0.000 0.457 628 T N 2.341 116.921 114.554 0.043 0.000 2.777 628 T HA 0.020 4.370 4.350 0.000 0.000 0.266 628 T C 1.693 176.408 174.700 0.026 0.000 1.040 628 T CA 1.370 63.491 62.100 0.035 0.000 1.141 628 T CB -0.520 68.371 68.868 0.039 0.000 0.868 628 T HN 0.403 nan 8.240 nan 0.000 0.444 629 L N 1.323 122.562 121.223 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 0.013 0.000 1.083 629 L CA 1.858 56.707 54.840 0.016 0.000 0.752 629 L CB -0.488 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 -0.282 119.930 120.200 0.020 0.000 2.031 630 E HA -0.268 4.082 4.350 0.000 0.000 0.193 630 E C 2.139 178.742 176.600 0.005 0.000 0.994 630 E CA 1.260 57.670 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 1.100 123.925 122.820 0.009 0.000 1.903 631 A HA -0.261 4.059 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 2.255 54.294 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 -0.801 118.800 119.600 0.000 0.000 2.086 632 M HA -0.078 4.402 4.480 0.000 0.000 0.261 632 M C 1.937 178.231 176.300 -0.009 0.000 1.067 632 M CA 1.363 56.661 55.300 -0.002 0.000 1.116 632 M CB -0.471 32.129 32.600 0.000 0.000 1.348 632 M HN 0.340 nan 8.290 nan 0.000 0.407 633 L N -0.518 120.698 121.223 -0.011 0.000 2.549 633 L HA -0.123 4.217 4.340 0.000 0.000 0.229 633 L C 2.264 179.110 176.870 -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 41.502 42.059 -0.010 0.000 0.952 633 L HN 0.284 nan 8.230 nan 0.000 0.452 634 R N -0.336 120.134 120.500 -0.052 0.000 2.276 634 R HA 0.068 4.408 4.340 0.000 0.000 0.196 634 R C 0.099 176.339 176.300 -0.101 0.000 0.961 634 R CA 0.030 56.065 56.100 -0.108 0.000 1.024 634 R CB -0.019 30.215 30.300 -0.111 0.000 0.940 634 R HN 0.379 nan 8.270 nan 0.000 0.480 635 N N 1.702 120.385 118.700 -0.028 0.000 2.499 635 N HA -0.022 4.718 4.740 0.000 0.000 0.281 635 N C 0.222 175.782 175.510 0.083 0.000 1.098 635 N CA 0.090 53.154 53.050 0.024 0.000 0.979 635 N CB 1.278 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 -0.456 120.046 120.400 0.170 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 1.471 55.577 54.000 0.176 0.000 0.847 636 D CB -0.296 40.513 40.800 0.016 0.000 0.942 636 D HN 0.603 nan 8.370 nan 0.000 0.467 637 T N -1.212 113.361 114.554 0.032 0.000 2.897 637 T HA -0.155 4.195 4.350 0.000 0.000 0.271 637 T C 1.081 175.781 174.700 0.001 0.000 1.084 637 T CA 0.931 63.035 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 1.847 120.554 118.700 0.011 0.000 2.320 638 N HA 0.201 4.941 4.740 0.000 0.000 0.237 638 N C -0.946 174.564 175.510 -0.001 0.000 1.129 638 N CA -0.209 52.839 53.050 -0.004 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 1.308 121.719 120.400 0.017 0.000 2.424 639 D HA 0.060 4.700 4.640 0.000 0.000 0.244 639 D C 0.658 176.931 176.300 -0.045 0.000 1.134 639 D CA 0.393 54.409 54.000 0.027 0.000 0.881 639 D CB 1.055 41.894 40.800 0.064 0.000 1.191 639 D HN 0.125 nan 8.370 nan 0.000 0.445 640 Q N 0.427 120.194 119.800 -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 -0.255 55.436 55.803 -0.186 0.000 0.896 640 Q CB 1.041 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 0.505 115.788 115.700 -0.694 0.000 2.533 641 S HA 0.773 5.243 4.470 0.000 0.000 0.271 641 S C -1.375 172.671 174.600 -0.923 0.000 1.143 641 S CA -0.851 57.015 58.200 -0.556 0.000 0.891 641 S CB 0.850 63.908 63.200 -0.237 0.000 1.105 641 S HN 0.415 nan 8.310 nan 0.000 0.468 642 F N 1.405 121.389 119.950 0.057 0.000 2.626 642 F HA 0.648 5.175 4.527 0.000 0.000 0.311 642 F C -0.037 175.913 175.800 0.251 0.000 1.088 642 F CA -0.765 57.316 58.000 0.136 0.000 0.949 642 F CB 2.019 41.102 39.000 0.139 0.000 1.322 642 F HN 0.890 nan 8.300 nan 0.000 0.461 643 N N -0.222 118.703 118.700 0.374 0.000 2.229 643 N HA 0.289 5.029 4.740 0.000 0.000 0.298 643 N C -2.070 173.302 175.510 -0.230 0.000 1.114 643 N CA -0.632 52.449 53.050 0.051 0.000 0.776 643 N CB 2.570 41.067 38.487 0.016 0.000 1.501 643 N HN 0.651 nan 8.380 nan 0.000 0.474 644 D N 0.360 120.218 120.400 -0.904 0.000 2.389 644 D HA 0.006 4.646 4.640 0.000 0.000 0.247 644 D C 0.916 177.045 176.300 -0.286 0.000 1.128 644 D CA -0.194 53.353 54.000 -0.755 0.000 0.884 644 D CB 0.618 40.812 40.800 -1.011 0.000 1.194 644 D HN 0.512 nan 8.370 nan 0.000 0.441 645 Y N 3.552 123.736 120.300 -0.195 0.000 2.128 645 Y HA -0.173 4.377 4.550 0.000 0.000 0.284 645 Y C 1.695 177.496 175.900 -0.164 0.000 1.154 645 Y CA 1.427 59.443 58.100 -0.140 0.000 1.149 645 Y CB -0.189 38.216 38.460 -0.091 0.000 0.976 645 Y HN 0.529 nan 8.280 nan 0.000 0.505 646 L N 0.355 121.531 121.223 -0.079 0.000 2.046 646 L HA -0.099 4.241 4.340 0.000 0.000 0.208 646 L C 1.266 177.981 176.870 -0.258 0.000 1.077 646 L CA 1.844 56.598 54.840 -0.142 0.000 0.747 646 L CB -0.858 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 -0.288 115.246 115.700 -0.277 0.000 3.436 647 S HA 0.011 4.481 4.470 0.000 0.000 0.393 647 S C -0.009 174.454 174.600 -0.230 0.000 0.914 647 S CA 0.475 58.494 58.200 -0.301 0.000 1.317 647 S CB -1.454 61.497 63.200 -0.414 0.000 0.920 647 S HN 0.946 nan 8.310 nan 0.000 0.564 648 A N 0.514 123.250 122.820 -0.140 0.000 2.608 648 A HA 0.843 5.163 4.320 0.000 0.000 0.292 648 A C -0.554 177.018 177.584 -0.021 0.000 1.066 648 A CA -0.056 51.930 52.037 -0.085 0.000 0.676 648 A CB 0.885 19.830 19.000 -0.091 0.000 1.277 648 A HN 1.543 nan 8.150 nan 0.000 0.413 649 A N 1.674 124.474 122.820 -0.033 0.000 2.260 649 A HA 0.618 4.938 4.320 0.000 0.000 0.308 649 A C -0.280 177.362 177.584 0.096 0.000 1.254 649 A CA -0.604 51.410 52.037 -0.037 0.000 0.874 649 A CB -0.054 18.753 19.000 -0.321 0.000 1.153 649 A HN 0.672 nan 8.150 nan 0.000 0.527 650 N N 3.537 122.344 118.700 0.178 0.000 2.426 650 N HA 0.490 5.230 4.740 0.000 0.000 0.275 650 N C -0.818 174.869 175.510 0.295 0.000 1.019 650 N CA -0.150 53.104 53.050 0.340 0.000 0.941 650 N CB 1.443 40.205 38.487 0.458 0.000 1.123 650 N HN 0.595 nan 8.380 nan 0.000 0.486 651 M N 2.329 122.151 119.600 0.370 0.000 2.530 651 M HA 0.513 4.993 4.480 0.000 0.000 0.307 651 M C -0.896 175.458 176.300 0.089 0.000 1.161 651 M CA -0.634 54.755 55.300 0.148 0.000 0.903 651 M CB 2.124 34.819 32.600 0.159 0.000 1.711 651 M HN 0.226 nan 8.290 nan 0.000 0.451 652 L N 2.794 123.864 121.223 -0.255 0.000 2.381 652 L HA 0.578 4.918 4.340 0.000 0.000 0.274 652 L C -1.670 174.946 176.870 -0.424 0.000 0.988 652 L CA -0.684 54.035 54.840 -0.201 0.000 0.824 652 L CB 1.579 43.519 42.059 -0.199 0.000 1.263 652 L HN 0.582 nan 8.230 nan 0.000 0.410 653 Y N 2.934 123.271 120.300 0.062 0.000 2.376 653 Y HA 0.470 5.020 4.550 0.000 0.000 0.340 653 Y C -2.261 173.646 175.900 0.011 0.000 0.965 653 Y CA -2.916 55.209 58.100 0.042 0.000 1.078 653 Y CB 1.483 39.975 38.460 0.053 0.000 1.193 653 Y HN 0.367 nan 8.280 nan 0.000 0.452 654 P HA 0.234 nan 4.420 nan 0.000 0.271 654 P C -0.529 176.808 177.300 0.063 0.000 1.216 654 P CA 0.113 63.254 63.100 0.069 0.000 0.776 654 P CB 1.102 32.827 31.700 0.042 0.000 0.881 655 I N 4.305 124.890 120.570 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 1.653 39.638 38.000 -0.026 0.000 1.241 655 I HN 0.077 nan 8.210 nan 0.000 0.469 656 P HA 0.013 nan 4.420 nan 0.000 0.267 656 P C 0.002 177.297 177.300 -0.008 0.000 1.200 656 P CA -0.192 62.906 63.100 -0.003 0.000 0.772 656 P CB 0.567 32.268 31.700 0.001 0.000 0.855 657 A N 2.874 125.689 122.820 -0.008 0.000 2.567 657 A HA -0.026 4.294 4.320 0.000 0.000 0.240 657 A C 0.933 178.514 177.584 -0.005 0.000 1.053 657 A CA 0.806 52.839 52.037 -0.007 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 -0.897 117.800 118.700 -0.006 0.000 2.972 658 N HA -0.200 4.540 4.740 0.000 0.000 0.225 658 N C 0.345 175.851 175.510 -0.007 0.000 0.883 658 N CA 0.717 53.765 53.050 -0.003 0.000 1.010 658 N CB -1.665 36.825 38.487 0.004 0.000 1.052 658 N HN 1.261 nan 8.380 nan 0.000 0.598 659 A N -0.034 122.780 122.820 -0.011 0.000 2.466 659 A HA 0.442 4.762 4.320 0.000 0.000 0.238 659 A C 1.204 178.776 177.584 -0.020 0.000 1.074 659 A CA 1.232 53.263 52.037 -0.010 0.000 0.774 659 A CB 0.529 19.524 19.000 -0.008 0.000 1.015 659 A HN 0.230 nan 8.150 nan 0.000 0.498 660 T N 0.240 114.785 114.554 -0.014 0.000 2.993 660 T HA 0.159 4.509 4.350 0.000 0.000 0.260 660 T C 0.227 174.921 174.700 -0.011 0.000 0.939 660 T CA 0.058 62.146 62.100 -0.020 0.000 0.886 660 T CB -0.170 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 0.530 5.270 4.740 0.000 0.000 0.291 661 N C -1.399 174.124 175.510 0.022 0.000 1.024 661 N CA -0.246 52.811 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 -0.116 nan 8.380 nan 0.000 0.486 662 V N 4.643 124.587 119.914 0.051 0.000 2.385 662 V HA 0.478 4.598 4.120 0.000 0.000 0.277 662 V C -2.404 173.736 176.094 0.076 0.000 1.012 662 V CA -1.379 60.957 62.300 0.060 0.000 0.832 662 V CB 1.291 33.144 31.823 0.051 0.000 1.028 662 V HN 0.594 nan 8.190 nan 0.000 0.436 663 P HA 0.652 nan 4.420 nan 0.000 0.300 663 P C -0.792 176.487 177.300 -0.036 0.000 1.326 663 P CA -0.500 62.600 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 -0.868 175.234 176.117 -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 6.300 122.020 115.700 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 64.613 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 -2.389 173.808 176.117 0.132 0.000 1.012 666 I CA -2.490 58.906 61.300 0.160 0.000 1.119 666 I CB 1.487 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 0.263 177.601 177.300 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 3.228 118.985 115.700 0.094 0.000 2.810 668 S HA -0.022 4.448 4.470 0.000 0.000 0.329 668 S C 0.361 174.983 174.600 0.037 0.000 1.231 668 S CA 0.288 58.565 58.200 0.128 0.000 1.042 668 S CB -0.408 62.844 63.200 0.087 0.000 0.756 668 S HN 0.738 nan 8.310 nan 0.000 0.504 669 R N 3.210 123.742 120.500 0.053 0.000 2.829 669 R HA 0.434 4.774 4.340 0.000 0.000 0.267 669 R C -1.093 175.081 176.300 -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 -0.543 0.000 1.292 669 R HN 0.579 nan 8.270 nan 0.000 0.445 670 N N -0.139 118.341 118.700 -0.366 0.000 2.499 670 N HA 0.111 4.851 4.740 0.000 0.000 0.281 670 N C -0.786 174.447 175.510 -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 39.070 38.487 -0.118 0.000 1.121 670 N HN 0.596 nan 8.380 nan 0.000 0.466 671 W N 1.856 123.192 121.300 0.061 0.000 2.870 671 W HA 0.416 5.076 4.660 0.000 0.000 0.358 671 W C 0.746 177.338 176.519 0.121 0.000 1.043 671 W CA -0.388 56.967 57.345 0.017 0.000 1.692 671 W CB -0.026 29.398 29.460 -0.060 0.000 1.100 671 W HN 0.510 nan 8.180 nan 0.000 0.557 672 A N 1.079 124.069 122.820 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 -0.097 19.002 19.000 0.165 0.000 0.991 672 A HN 1.161 nan 8.150 nan 0.000 0.503 673 A N 1.536 124.511 122.820 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 -2.607 16.494 19.000 0.169 0.000 1.122 673 A HN 2.015 nan 8.150 nan 0.000 0.934 674 F N 1.888 121.954 119.950 0.194 0.000 2.623 674 F HA 0.325 4.852 4.527 0.000 0.000 0.383 674 F C 1.421 177.262 175.800 0.068 0.000 1.077 674 F CA 0.747 58.794 58.000 0.078 0.000 1.268 674 F CB 0.432 39.378 39.000 -0.089 0.000 1.053 674 F HN 0.281 nan 8.300 nan 0.000 0.571 675 R N 3.315 123.374 120.500 -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 -0.596 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 -0.154 107.634 108.800 -1.687 0.000 2.362 676 G HA2 0.034 3.994 3.960 0.000 0.000 0.288 676 G HA3 0.034 3.994 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 -0.160 0.000 2.706 677 W HA 0.747 5.407 4.660 0.000 0.000 0.346 677 W C 0.126 176.598 176.519 -0.079 0.000 1.071 677 W CA -0.311 56.977 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 2.939 125.837 122.820 0.131 0.000 2.455 678 A HA 0.921 5.241 4.320 0.000 0.000 0.300 678 A C -1.616 175.948 177.584 -0.034 0.000 1.040 678 A CA -0.535 51.471 52.037 -0.051 0.000 0.697 678 A CB 1.490 20.369 19.000 -0.201 0.000 1.265 678 A HN 0.645 nan 8.150 nan 0.000 0.407 679 F N -0.613 119.195 119.950 -0.238 0.000 2.693 679 F HA 0.889 5.416 4.527 0.000 0.000 0.309 679 F C -0.245 175.318 175.800 -0.395 0.000 1.129 679 F CA -0.388 57.406 58.000 -0.343 0.000 0.948 679 F CB 1.194 40.047 39.000 -0.244 0.000 1.315 679 F HN 0.680 nan 8.300 nan 0.000 0.447 680 T N -0.458 114.019 114.554 -0.130 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 70.601 68.868 -0.424 0.000 1.498 680 T HN 0.962 nan 8.240 nan 0.000 0.494 681 R N 0.252 120.942 120.500 0.315 0.000 2.533 681 R HA 0.680 5.020 4.340 0.000 0.000 0.288 681 R C -1.911 174.443 176.300 0.090 0.000 1.039 681 R CA -0.648 55.573 56.100 0.201 0.000 0.909 681 R CB 0.952 31.274 30.300 0.037 0.000 1.195 681 R HN 0.639 nan 8.270 nan 0.000 0.438 682 L N 2.260 123.542 121.223 0.098 0.000 2.301 682 L HA 0.611 4.951 4.340 0.000 0.000 0.264 682 L C -0.341 176.539 176.870 0.016 0.000 1.016 682 L CA -1.173 53.711 54.840 0.073 0.000 0.821 682 L CB 1.883 44.031 42.059 0.148 0.000 1.346 682 L HN 0.409 nan 8.230 nan 0.000 0.429 683 K N -0.120 120.289 120.400 0.016 0.000 2.201 683 K HA 0.279 4.599 4.320 0.000 0.000 0.278 683 K C 0.545 177.136 176.600 -0.014 0.000 1.027 683 K CA -0.370 55.918 56.287 0.002 0.000 0.909 683 K CB 1.573 34.087 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 -0.226 4.124 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 1.618 121.990 120.400 -0.047 0.000 2.147 685 K HA -0.101 4.219 4.320 0.000 0.000 0.205 685 K C 1.747 178.218 176.600 -0.216 0.000 1.049 685 K CA 1.560 57.793 56.287 -0.090 0.000 0.936 685 K CB -0.759 31.668 32.500 -0.121 0.000 0.722 685 K HN 0.670 nan 8.250 nan 0.000 0.446 686 E N 0.228 120.265 120.200 -0.272 0.000 2.437 686 E HA 0.064 4.414 4.350 0.000 0.000 0.189 686 E C -0.468 176.178 176.600 0.078 0.000 1.054 686 E CA 0.020 56.200 56.400 -0.367 0.000 0.874 686 E CB 0.581 30.092 29.700 -0.315 0.000 1.011 686 E HN 0.363 nan 8.360 nan 0.000 0.474 687 T N 3.462 118.066 114.554 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 60.396 62.100 -0.019 0.000 1.040 687 T CB 1.076 69.879 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 -0.009 177.029 177.300 -0.437 0.000 1.208 688 P CA -0.256 62.301 63.100 -0.905 0.000 0.777 688 P CB 0.560 31.489 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 0.215 4.685 4.470 0.000 0.000 0.275 689 S C 0.939 175.423 174.600 -0.195 0.000 1.257 689 S CA -0.638 57.433 58.200 -0.214 0.000 1.050 689 S CB -0.619 62.506 63.200 -0.125 0.000 0.937 689 S HN 0.343 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 0.296 4.636 4.340 0.000 0.000 0.230 690 L C 2.057 178.909 176.870 -0.030 0.000 1.123 690 L CA 0.078 54.870 54.840 -0.080 0.000 0.900 690 L CB -0.207 41.826 42.059 -0.043 0.000 1.146 690 L HN 0.848 nan 8.230 nan 0.000 0.484 691 G N 0.529 109.298 108.800 -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 0.201 175.090 174.900 -0.018 0.000 1.327 691 G CA 0.624 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 -3.548 112.148 115.700 -0.007 0.000 2.683 692 S HA 0.405 4.875 4.470 0.000 0.000 0.278 692 S C 0.865 175.491 174.600 0.042 0.000 1.059 692 S CA 0.106 58.305 58.200 -0.001 0.000 0.847 692 S CB 0.760 63.941 63.200 -0.031 0.000 1.078 692 S HN 0.509 nan 8.310 nan 0.000 0.456 693 G N -0.236 108.598 108.800 0.056 0.000 2.509 693 G HA2 0.180 4.140 3.960 0.000 0.000 0.218 693 G HA3 0.180 4.140 3.960 0.000 0.000 0.218 693 G C -0.041 174.848 174.900 -0.018 0.000 1.124 693 G CA 1.100 46.309 45.100 0.181 0.000 0.776 693 G HN 1.025 nan 8.290 nan 0.000 0.547 694 Y N -0.424 119.642 120.300 -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 -1.589 56.245 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 -1.954 173.977 176.300 -0.616 0.000 1.089 695 D CA -2.507 51.193 54.000 -0.501 0.000 0.883 695 D CB 1.790 42.400 40.800 -0.316 0.000 1.029 695 D HN 0.323 nan 8.370 nan 0.000 0.517 696 P HA -0.138 nan 4.420 nan 0.000 0.219 696 P C 0.493 177.588 177.300 -0.341 0.000 1.146 696 P CA 0.999 63.865 63.100 -0.390 0.000 0.808 696 P CB -0.014 31.365 31.700 -0.535 0.000 0.779 697 Y N -3.164 117.130 120.300 -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 -0.987 57.128 58.100 0.025 0.000 1.269 697 Y CB -1.173 37.298 38.460 0.018 0.000 1.094 697 Y HN -0.102 nan 8.280 nan 0.000 0.518 698 Y N 2.441 122.729 120.300 -0.019 0.000 2.595 698 Y HA 0.282 4.832 4.550 0.000 0.000 0.347 698 Y C 0.625 176.542 175.900 0.028 0.000 1.025 698 Y CA -1.384 56.714 58.100 -0.004 0.000 1.295 698 Y CB 0.246 38.660 38.460 -0.077 0.000 1.147 698 Y HN 0.110 nan 8.280 nan 0.000 0.515 699 T N 3.124 117.593 114.554 -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 0.489 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 -0.122 175.532 175.900 -0.410 0.000 1.089 700 Y CA -0.792 57.045 58.100 -0.438 0.000 1.025 700 Y CB 2.044 40.255 38.460 -0.415 0.000 1.318 700 Y HN 0.224 nan 8.280 nan 0.000 0.452 701 S N 1.871 117.039 115.700 -0.886 0.000 2.952 701 S HA 0.472 4.942 4.470 0.000 0.000 0.251 701 S C 0.396 174.604 174.600 -0.652 0.000 1.021 701 S CA -0.024 57.825 58.200 -0.587 0.000 1.067 701 S CB 0.085 63.118 63.200 -0.277 0.000 1.002 701 S HN 0.994 nan 8.310 nan 0.000 0.574 702 G N 2.055 110.024 108.800 -1.386 0.000 2.509 702 G HA2 0.481 4.441 3.960 0.000 0.000 0.269 702 G HA3 0.481 4.441 3.960 0.000 0.000 0.269 702 G C 0.073 174.964 174.900 -0.015 0.000 1.416 702 G CA -0.145 44.639 45.100 -0.526 0.000 1.052 702 G HN 0.697 nan 8.290 nan 0.000 0.542 703 S N -1.308 114.534 115.700 0.237 0.000 2.568 703 S HA 0.281 4.751 4.470 0.000 0.000 0.282 703 S C -0.023 174.799 174.600 0.371 0.000 1.338 703 S CA -0.278 58.070 58.200 0.247 0.000 1.045 703 S CB 0.384 63.710 63.200 0.210 0.000 0.873 703 S HN 0.372 nan 8.310 nan 0.000 0.516 704 I N 4.307 125.028 120.570 0.253 0.000 2.503 704 I HA 0.291 4.461 4.170 0.000 0.000 0.277 704 I C -1.840 174.364 176.117 0.145 0.000 1.078 704 I CA -2.357 59.107 61.300 0.272 0.000 1.184 704 I CB 1.490 39.655 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 1.566 178.871 177.300 0.009 0.000 1.154 705 P CA 1.635 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 0.006 120.381 120.300 0.124 0.000 2.256 706 Y HA -0.171 4.379 4.550 0.000 0.000 0.288 706 Y C 1.968 177.917 175.900 0.082 0.000 1.155 706 Y CA 1.558 59.729 58.100 0.117 0.000 1.203 706 Y CB -0.669 37.744 38.460 -0.079 0.000 0.980 706 Y HN -0.146 nan 8.280 nan 0.000 0.530 707 L N -0.825 120.431 121.223 0.055 0.000 2.388 707 L HA 0.067 4.407 4.340 0.000 0.000 0.209 707 L C 1.645 178.472 176.870 -0.072 0.000 1.061 707 L CA 0.844 55.677 54.840 -0.012 0.000 0.834 707 L CB -0.219 41.909 42.059 0.114 0.000 1.029 707 L HN 0.171 nan 8.230 nan 0.000 0.473 708 D N -0.884 119.447 120.400 -0.116 0.000 2.366 708 D HA 0.085 4.725 4.640 0.000 0.000 0.205 708 D C 1.472 177.561 176.300 -0.352 0.000 1.022 708 D CA 0.815 54.712 54.000 -0.172 0.000 0.868 708 D CB 0.330 41.065 40.800 -0.109 0.000 0.953 708 D HN 0.162 nan 8.370 nan 0.000 0.514 709 G N 0.232 108.647 108.800 -0.641 0.000 2.141 709 G HA2 -0.262 3.698 3.960 0.000 0.000 0.231 709 G HA3 -0.262 3.698 3.960 0.000 0.000 0.231 709 G C 0.674 175.062 174.900 -0.854 0.000 0.984 709 G CA 0.458 44.947 45.100 -1.019 0.000 0.660 709 G HN 0.680 nan 8.290 nan 0.000 0.525 710 T N -0.357 113.758 114.554 -0.732 0.000 3.624 710 T HA 0.541 4.891 4.350 0.000 0.000 0.231 710 T C 0.599 175.292 174.700 -0.012 0.000 0.865 710 T CA -0.534 61.168 62.100 -0.663 0.000 0.926 710 T CB -0.657 67.593 68.868 -1.030 0.000 1.189 710 T HN 0.284 nan 8.240 nan 0.000 0.640 711 F N 2.833 122.935 119.950 0.253 0.000 2.572 711 F HA 0.280 4.807 4.527 0.000 0.000 0.370 711 F C 1.014 177.101 175.800 0.478 0.000 1.103 711 F CA -1.074 57.096 58.000 0.283 0.000 1.286 711 F CB 0.016 39.088 39.000 0.120 0.000 1.105 711 F HN 0.512 nan 8.300 nan 0.000 0.583 712 Y N -0.492 120.090 120.300 0.471 0.000 2.890 712 Y HA 0.499 5.049 4.550 0.000 0.000 0.266 712 Y C -0.326 175.766 175.900 0.321 0.000 1.090 712 Y CA -0.420 57.912 58.100 0.387 0.000 1.258 712 Y CB -0.772 37.903 38.460 0.358 0.000 1.346 712 Y HN 0.382 nan 8.280 nan 0.000 0.578 713 L N 0.856 122.028 121.223 -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 54.593 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 0.590 119.324 118.700 0.056 0.000 2.364 714 N HA -0.157 4.583 4.740 0.000 0.000 0.183 714 N C 1.662 177.540 175.510 0.612 0.000 1.022 714 N CA 1.042 54.245 53.050 0.254 0.000 0.883 714 N CB -0.098 38.191 38.487 -0.330 0.000 0.965 714 N HN 0.591 nan 8.380 nan 0.000 0.438 715 H N -0.692 118.587 119.070 0.349 0.000 2.556 715 H HA 0.105 4.661 4.556 0.000 0.000 0.268 715 H C 1.075 176.443 175.328 0.067 0.000 0.996 715 H CA 1.170 57.265 56.048 0.077 0.000 1.157 715 H CB -0.482 29.107 29.762 -0.289 0.000 1.355 715 H HN 0.130 nan 8.280 nan 0.000 0.597 716 T N -2.402 112.033 114.554 -0.197 0.000 3.107 716 T HA 0.115 4.465 4.350 0.000 0.000 0.249 716 T C 0.247 174.867 174.700 -0.133 0.000 1.096 716 T CA -0.522 61.464 62.100 -0.191 0.000 1.012 716 T CB -0.658 68.003 68.868 -0.345 0.000 0.977 716 T HN 0.023 nan 8.240 nan 0.000 0.527 717 F N 1.578 121.603 119.950 0.125 0.000 2.412 717 F HA 0.522 5.049 4.527 0.000 0.000 0.348 717 F C 1.499 177.303 175.800 0.008 0.000 1.102 717 F CA -0.726 57.346 58.000 0.120 0.000 1.196 717 F CB 1.515 40.663 39.000 0.247 0.000 1.144 717 F HN -0.122 nan 8.300 nan 0.000 0.541 718 K N 1.570 122.048 120.400 0.129 0.000 2.225 718 K HA 0.161 4.481 4.320 0.000 0.000 0.204 718 K C -0.388 176.190 176.600 -0.038 0.000 1.047 718 K CA 0.496 56.804 56.287 0.035 0.000 0.970 718 K CB 0.476 32.988 32.500 0.019 0.000 0.939 718 K HN 0.644 nan 8.250 nan 0.000 0.472 719 K N -1.095 119.290 120.400 -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 -1.095 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 -0.206 119.583 119.914 -0.209 0.000 2.668 720 V HA 0.774 4.894 4.120 0.000 0.000 0.304 720 V C -1.141 174.824 176.094 -0.214 0.000 1.071 720 V CA -0.750 61.300 62.300 -0.417 0.000 0.894 720 V CB 1.531 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 5.625 128.259 122.820 -0.310 0.000 2.304 721 A HA 0.923 5.243 4.320 0.000 0.000 0.314 721 A C -0.842 176.605 177.584 -0.228 0.000 1.187 721 A CA -0.435 51.502 52.037 -0.167 0.000 0.810 721 A CB 0.686 19.607 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 -0.362 175.732 176.117 -0.038 0.000 0.992 722 I CA -0.095 61.104 61.300 -0.168 0.000 1.149 722 I CB 2.366 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 4.814 119.280 114.554 -0.147 0.000 2.928 723 T HA 0.520 4.870 4.350 0.000 0.000 0.296 723 T C -0.671 173.947 174.700 -0.137 0.000 1.000 723 T CA -0.572 61.505 62.100 -0.038 0.000 0.989 723 T CB 1.052 69.915 68.868 -0.008 0.000 1.005 723 T HN 0.036 nan 8.240 nan 0.000 0.442 724 F N 2.003 122.006 119.950 0.089 0.000 2.399 724 F HA 0.355 4.882 4.527 0.000 0.000 0.334 724 F C 0.856 176.724 175.800 0.112 0.000 1.097 724 F CA -0.492 57.553 58.000 0.075 0.000 1.076 724 F CB 0.869 39.924 39.000 0.092 0.000 1.162 724 F HN 0.612 nan 8.300 nan 0.000 0.495 725 D N 2.509 123.105 120.400 0.327 0.000 2.701 725 D HA -0.289 4.351 4.640 0.000 0.000 0.235 725 D C 1.265 177.651 176.300 0.144 0.000 1.155 725 D CA 1.339 55.476 54.000 0.228 0.000 0.649 725 D CB -1.283 39.663 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 2.954 61.198 58.200 0.072 0.000 1.224 726 S CB -1.696 61.540 63.200 0.061 0.000 1.480 726 S HN 1.047 nan 8.310 nan 0.000 0.698 727 S N -2.392 113.367 115.700 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 63.321 63.200 0.075 0.000 0.882 727 S HN 1.029 nan 8.310 nan 0.000 0.466 728 V N 3.284 123.292 119.914 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 62.133 62.300 0.194 0.000 0.976 728 V CB 1.006 32.969 31.823 0.232 0.000 0.993 728 V HN 0.463 nan 8.190 nan 0.000 0.475 729 S N 5.141 120.954 115.700 0.188 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 0.281 0.000 1.201 729 S CA -0.557 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 -2.037 174.650 176.519 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 0.137 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 1.054 63.476 63.100 -1.129 0.000 0.796 731 P CB 0.313 31.279 31.700 -1.224 0.000 1.068 732 G N 1.659 110.337 108.800 -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 0.481 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 -0.068 118.576 118.700 -0.094 0.000 2.732 733 N HA -0.199 4.541 4.740 0.000 0.000 0.250 733 N C 0.731 176.189 175.510 -0.088 0.000 1.097 733 N CA 2.475 55.469 53.050 -0.092 0.000 0.812 733 N CB -0.757 37.659 38.487 -0.117 0.000 1.148 733 N HN 1.355 nan 8.380 nan 0.000 0.572 734 D N -1.818 118.531 120.400 -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 -0.366 120.071 120.500 -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 0.742 56.794 56.100 -0.080 0.000 0.948 735 R CB -0.254 29.987 30.300 -0.098 0.000 0.845 735 R HN 0.307 nan 8.270 nan 0.000 0.430 736 L N 1.117 122.270 121.223 -0.117 0.000 2.421 736 L HA 0.147 4.487 4.340 0.000 0.000 0.263 736 L C 1.991 178.776 176.870 -0.141 0.000 1.122 736 L CA -0.444 54.312 54.840 -0.141 0.000 0.804 736 L CB 0.487 42.397 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 1.258 178.050 176.870 -0.130 0.000 1.089 737 L CA 1.528 56.214 54.840 -0.257 0.000 0.757 737 L CB -0.483 41.194 42.059 -0.636 0.000 0.899 737 L HN 0.844 nan 8.230 nan 0.000 0.434 738 T N -4.424 110.062 114.554 -0.114 0.000 3.466 738 T HA 0.281 4.631 4.350 0.000 0.000 0.297 738 T C -1.631 173.000 174.700 -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 1.082 178.292 177.300 -0.150 0.000 1.151 739 P CA 1.304 64.319 63.100 -0.142 0.000 0.850 739 P CB 0.065 31.711 31.700 -0.090 0.000 0.784 740 N N -0.017 118.621 118.700 -0.103 0.000 2.515 740 N HA -0.037 4.703 4.740 0.000 0.000 0.185 740 N C 0.596 176.048 175.510 -0.097 0.000 1.109 740 N CA 0.674 53.676 53.050 -0.080 0.000 0.903 740 N CB 0.124 38.586 38.487 -0.042 0.000 0.969 740 N HN 0.547 nan 8.380 nan 0.000 0.450 741 E N -1.602 118.503 120.200 -0.159 0.000 2.417 741 E HA 0.240 4.590 4.350 0.000 0.000 0.280 741 E C -1.524 174.933 176.600 -0.239 0.000 1.112 741 E CA -0.785 55.530 56.400 -0.141 0.000 0.863 741 E CB 0.248 29.904 29.700 -0.072 0.000 1.346 741 E HN -0.225 nan 8.360 nan 0.000 0.443 742 F N 1.207 121.111 119.950 -0.076 0.000 2.390 742 F HA 0.279 4.806 4.527 0.000 0.000 0.361 742 F C 0.244 175.953 175.800 -0.151 0.000 1.124 742 F CA -0.273 57.698 58.000 -0.049 0.000 1.149 742 F CB 1.177 40.195 39.000 0.029 0.000 1.160 742 F HN 0.281 nan 8.300 nan 0.000 0.501 743 E N 4.095 124.301 120.200 0.010 0.000 2.089 743 E HA 0.204 4.554 4.350 0.000 0.000 0.284 743 E C 0.749 177.249 176.600 -0.167 0.000 1.023 743 E CA -0.146 56.217 56.400 -0.062 0.000 0.819 743 E CB 1.052 30.750 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 0.610 176.591 176.117 -0.226 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 55.442 56.287 0.135 0.000 0.854 745 K CB 1.778 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 -0.840 175.520 176.300 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 1.165 175.793 174.600 0.046 0.000 1.063 747 S CA -0.593 57.645 58.200 0.063 0.000 1.120 747 S CB 0.358 63.590 63.200 0.052 0.000 0.968 747 S HN 0.548 nan 8.310 nan 0.000 0.467 748 V N 1.321 121.264 119.914 0.049 0.000 0.564 748 V HA -0.522 3.598 4.120 0.000 0.000 0.092 748 V C 2.369 178.472 176.094 0.015 0.000 1.994 748 V CA 3.185 65.504 62.300 0.032 0.000 3.465 748 V CB -2.148 29.689 31.823 0.023 0.000 0.759 748 V HN 0.914 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 0.112 4.752 4.640 0.000 0.000 0.203 749 D C 1.786 178.070 176.300 -0.027 0.000 0.988 749 D CA 2.063 56.057 54.000 -0.009 0.000 0.864 749 D CB -0.576 40.219 40.800 -0.008 0.000 0.928 749 D HN 1.224 nan 8.370 nan 0.000 0.469 750 G N -1.206 107.588 108.800 -0.010 0.000 3.690 750 G HA2 0.262 4.222 3.960 0.000 0.000 0.283 750 G HA3 0.262 4.222 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 1.656 121.865 120.200 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 1.753 58.177 56.400 0.040 0.000 0.882 751 E CB -0.854 28.862 29.700 0.027 0.000 0.774 751 E HN 0.346 nan 8.360 nan 0.000 0.467 752 G N -0.438 108.370 108.800 0.014 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 1.228 176.254 174.900 0.209 0.000 1.113 752 G CA 1.193 46.321 45.100 0.046 0.000 0.748 752 G HN 0.273 nan 8.290 nan 0.000 0.585 753 Y N 0.977 121.297 120.300 0.033 0.000 2.490 753 Y HA 0.227 4.777 4.550 0.000 0.000 0.281 753 Y C 1.036 176.963 175.900 0.045 0.000 1.174 753 Y CA -1.115 57.008 58.100 0.038 0.000 1.295 753 Y CB -0.415 38.065 38.460 0.034 0.000 1.062 753 Y HN 0.093 nan 8.280 nan 0.000 0.522 754 N N -0.535 118.281 118.700 0.194 0.000 2.434 754 N HA 0.387 5.127 4.740 0.000 0.000 0.266 754 N C -0.432 175.120 175.510 0.069 0.000 1.223 754 N CA -0.116 53.010 53.050 0.126 0.000 0.972 754 N CB 2.209 40.768 38.487 0.119 0.000 1.207 754 N HN -0.065 nan 8.380 nan 0.000 0.525 755 V N -1.078 118.844 119.914 0.013 0.000 3.181 755 V HA 0.560 4.680 4.120 0.000 0.000 0.307 755 V C -0.438 175.575 176.094 -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 1.691 124.371 122.820 -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 2.041 53.973 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 -4.394 115.404 119.800 -0.004 0.000 2.502 757 Q HA -0.260 4.080 4.340 0.000 0.000 0.273 757 Q C 0.310 176.349 176.000 0.065 0.000 1.127 757 Q CA 1.206 57.027 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 2.175 nan 8.270 nan 0.000 0.494 758 C N -2.382 116.978 119.300 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 0.206 0.000 1.694 758 C CA -0.197 58.925 59.018 0.173 0.000 1.244 758 C CB 0.900 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 0.149 175.846 175.510 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 1.657 121.422 119.600 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 -0.302 55.103 55.300 0.175 0.000 1.160 760 M CB 0.938 33.545 32.600 0.013 0.000 1.491 760 M HN 0.206 nan 8.290 nan 0.000 0.459 761 T N 1.105 115.750 114.554 0.151 0.000 2.899 761 T HA 0.312 4.662 4.350 0.000 0.000 0.284 761 T C 0.749 175.522 174.700 0.122 0.000 1.004 761 T CA -0.636 61.546 62.100 0.136 0.000 1.043 761 T CB 1.147 70.091 68.868 0.126 0.000 1.013 761 T HN 0.811 nan 8.240 nan 0.000 0.518 762 K N 0.564 121.010 120.400 0.077 0.000 2.057 762 K HA -0.129 4.191 4.320 0.000 0.000 0.207 762 K C 1.856 178.512 176.600 0.093 0.000 1.049 762 K CA 1.671 58.002 56.287 0.074 0.000 0.931 762 K CB -0.207 32.316 32.500 0.038 0.000 0.714 762 K HN 0.611 nan 8.250 nan 0.000 0.440 763 D N 0.174 120.593 120.400 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 0.924 54.932 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 0.380 121.618 121.300 -0.103 0.000 2.358 764 W HA -0.237 4.423 4.660 0.000 0.000 0.303 764 W C 2.131 178.504 176.519 -0.243 0.000 1.208 764 W CA 0.514 57.749 57.345 -0.184 0.000 1.274 764 W CB -0.547 28.788 29.460 -0.209 0.000 1.138 764 W HN -0.072 nan 8.180 nan 0.000 0.515 765 F N 1.266 121.075 119.950 -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 -0.345 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 -0.286 120.850 121.223 -0.146 0.000 2.027 766 L HA -0.123 4.217 4.340 0.000 0.000 0.206 766 L C 2.168 178.808 176.870 -0.383 0.000 1.074 766 L CA 1.704 56.489 54.840 -0.092 0.000 0.745 766 L CB -0.998 41.082 42.059 0.034 0.000 0.898 766 L HN 0.022 nan 8.230 nan 0.000 0.433 767 V N -0.278 119.309 119.914 -0.546 0.000 2.358 767 V HA -0.247 3.873 4.120 0.000 0.000 0.246 767 V C 2.690 178.291 176.094 -0.823 0.000 1.047 767 V CA 1.629 63.471 62.300 -0.763 0.000 1.035 767 V CB -0.794 30.479 31.823 -0.916 0.000 0.658 767 V HN 0.505 nan 8.190 nan 0.000 0.452 768 Q N -0.907 118.240 119.800 -1.088 0.000 2.084 768 Q HA -0.102 4.238 4.340 0.000 0.000 0.202 768 Q C 2.246 177.756 176.000 -0.816 0.000 0.978 768 Q CA 1.328 56.426 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 -0.687 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 31.497 32.600 -0.341 0.000 1.365 769 M HN 0.156 nan 8.290 nan 0.000 0.411 770 L N -0.325 120.719 121.223 -0.299 0.000 2.044 770 L HA -0.105 4.235 4.340 0.000 0.000 0.205 770 L C 2.780 179.535 176.870 -0.191 0.000 1.075 770 L CA 1.151 55.861 54.840 -0.216 0.000 0.747 770 L CB -0.990 40.950 42.059 -0.198 0.000 0.903 770 L HN 0.240 nan 8.230 nan 0.000 0.435 771 A N 0.060 122.721 122.820 -0.265 0.000 1.940 771 A HA -0.222 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 2.068 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 -2.106 116.305 118.700 -0.482 0.000 2.305 772 N HA -0.016 4.724 4.740 0.000 0.000 0.179 772 N C 0.473 175.476 175.510 -0.845 0.000 1.019 772 N CA 1.494 54.078 53.050 -0.777 0.000 0.869 772 N CB 0.049 37.798 38.487 -1.231 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 57.387 58.100 -0.121 0.000 1.228 773 Y CB 0.106 38.469 38.460 -0.162 0.000 1.310 773 Y HN -0.189 nan 8.280 nan 0.000 0.549 774 N N 0.661 119.353 118.700 -0.014 0.000 2.800 774 N HA -0.193 4.547 4.740 0.000 0.000 0.250 774 N C -0.724 174.753 175.510 -0.055 0.000 1.078 774 N CA 0.821 53.861 53.050 -0.017 0.000 0.804 774 N CB -1.419 37.085 38.487 0.028 0.000 1.135 774 N HN 0.443 nan 8.380 nan 0.000 0.565 775 I N -0.629 119.877 120.570 -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 0.523 61.681 61.300 -0.236 0.000 1.267 775 I CB 1.503 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 -0.211 44.454 45.100 -0.725 0.000 0.882 776 G HN 0.457 nan 8.290 nan 0.000 0.364 777 Y N 1.415 121.592 120.300 -0.205 0.000 2.519 777 Y HA 0.340 4.890 4.550 0.000 0.000 0.287 777 Y C 2.171 177.998 175.900 -0.122 0.000 1.128 777 Y CA 1.117 59.131 58.100 -0.142 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 0.068 119.873 119.800 0.008 0.000 2.233 778 Q HA 0.432 4.772 4.340 0.000 0.000 0.340 778 Q C 0.077 176.094 176.000 0.028 0.000 0.899 778 Q CA -0.042 55.780 55.803 0.031 0.000 1.139 778 Q CB 0.953 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 -1.119 173.694 174.900 -0.145 0.000 1.277 779 G CA -1.039 44.017 45.100 -0.074 0.000 0.799 779 G HN 0.156 nan 8.290 nan 0.000 0.613 780 F N 1.242 121.257 119.950 0.108 0.000 2.421 780 F HA 0.825 5.352 4.527 0.000 0.000 0.337 780 F C 0.707 176.555 175.800 0.080 0.000 1.105 780 F CA -0.239 57.758 58.000 -0.005 0.000 1.049 780 F CB 1.623 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 -0.186 120.194 120.300 0.134 0.000 2.689 781 Y HA 0.625 5.175 4.550 0.000 0.000 0.333 781 Y C -1.119 174.643 175.900 -0.230 0.000 1.208 781 Y CA -2.129 55.960 58.100 -0.018 0.000 1.055 781 Y CB 0.455 38.891 38.460 -0.040 0.000 1.304 781 Y HN 0.344 nan 8.280 nan 0.000 0.455 782 I N 4.306 124.804 120.570 -0.120 0.000 2.598 782 I HA 0.171 4.341 4.170 0.000 0.000 0.284 782 I C -2.021 173.853 176.117 -0.405 0.000 1.140 782 I CA -1.476 59.514 61.300 -0.517 0.000 1.420 782 I CB 0.351 38.168 38.000 -0.304 0.000 1.387 782 I HN 0.394 nan 8.210 nan 0.000 0.553 783 P HA 0.129 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 -0.210 62.508 63.100 -0.637 0.000 0.780 783 P CB 0.308 31.254 31.700 -1.257 0.000 0.898 784 E N 0.963 120.984 120.200 -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 0.224 56.460 56.400 -0.273 0.000 0.915 784 E CB -0.719 28.782 29.700 -0.332 0.000 0.951 784 E HN 0.438 nan 8.360 nan 0.000 0.449 785 S N 1.019 116.637 115.700 -0.138 0.000 2.389 785 S HA -0.319 4.151 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 2.095 60.264 58.200 -0.052 0.000 1.053 785 S CB -0.964 62.253 63.200 0.028 0.000 0.886 785 S HN 0.990 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 0.185 4.735 4.550 0.000 0.000 0.292 786 Y C 1.638 177.577 175.900 0.065 0.000 1.137 786 Y CA 0.523 58.644 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 0.584 56.785 56.287 -0.144 0.000 1.023 787 K CB 0.243 32.628 32.500 -0.192 0.000 0.840 787 K HN 0.111 nan 8.250 nan 0.000 0.519 788 D N 2.306 122.741 120.400 0.058 0.000 2.518 788 D HA 0.057 4.697 4.640 0.000 0.000 0.230 788 D C -0.140 176.232 176.300 0.120 0.000 1.138 788 D CA -0.309 53.795 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 1.945 122.521 120.500 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 -0.781 55.358 56.100 0.065 0.000 1.120 789 R CB -0.110 30.232 30.300 0.069 0.000 1.333 789 R HN 0.290 nan 8.270 nan 0.000 0.587 790 M N 0.125 119.666 119.600 -0.098 0.000 2.082 790 M HA -0.183 4.297 4.480 0.000 0.000 0.258 790 M C 0.612 176.733 176.300 -0.299 0.000 1.069 790 M CA 2.041 57.166 55.300 -0.291 0.000 1.102 790 M CB -0.031 32.237 32.600 -0.553 0.000 1.336 790 M HN 0.446 nan 8.290 nan 0.000 0.404 791 Y N -0.242 120.089 120.300 0.052 0.000 2.532 791 Y HA 0.300 4.850 4.550 0.000 0.000 0.283 791 Y C 0.833 176.783 175.900 0.083 0.000 1.181 791 Y CA -0.513 57.629 58.100 0.070 0.000 1.256 791 Y CB -0.388 38.110 38.460 0.063 0.000 1.112 791 Y HN 0.025 nan 8.280 nan 0.000 0.521 792 S N 0.053 115.867 115.700 0.190 0.000 2.645 792 S HA 0.079 4.549 4.470 0.000 0.000 0.266 792 S C 0.949 175.695 174.600 0.244 0.000 1.258 792 S CA -0.676 57.645 58.200 0.202 0.000 0.990 792 S CB 0.586 63.935 63.200 0.248 0.000 0.967 792 S HN 0.390 nan 8.310 nan 0.000 0.556 793 F N 1.546 121.574 119.950 0.131 0.000 2.022 793 F HA -0.053 4.474 4.527 0.000 0.000 0.293 793 F C 1.848 177.814 175.800 0.278 0.000 1.142 793 F CA 1.417 59.508 58.000 0.153 0.000 1.177 793 F CB -0.815 38.217 39.000 0.052 0.000 0.982 793 F HN 0.665 nan 8.300 nan 0.000 0.473 794 F N 1.554 121.397 119.950 -0.178 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 60.390 58.000 -0.282 0.000 1.199 794 F CB -0.713 38.228 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 2.091 58.202 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 -0.655 118.009 118.700 -0.059 0.000 2.236 796 N HA -0.040 4.700 4.740 0.000 0.000 0.196 796 N C -0.729 174.779 175.510 -0.005 0.000 1.114 796 N CA -0.015 53.031 53.050 -0.006 0.000 0.859 796 N CB 0.299 38.837 38.487 0.086 0.000 0.982 796 N HN 0.085 nan 8.380 nan 0.000 0.493 797 F N 3.121 122.859 119.950 -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 57.606 58.000 -0.336 0.000 1.188 797 F CB 0.551 39.133 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 1.619 30.236 28.738 -0.202 0.000 1.255 798 Q HN 0.413 nan 8.270 nan 0.000 0.486 799 P HA 0.366 nan 4.420 nan 0.000 0.285 799 P C -0.525 176.703 177.300 -0.121 0.000 1.259 799 P CA -0.235 62.670 63.100 -0.324 0.000 0.794 799 P CB 1.006 32.513 31.700 -0.323 0.000 0.940 800 M N 1.119 120.717 119.600 -0.003 0.000 2.572 800 M HA 0.532 5.012 4.480 0.000 0.000 0.299 800 M C -0.306 176.177 176.300 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 0.384 116.325 115.700 0.402 0.000 2.556 801 S HA 0.874 5.344 4.470 0.000 0.000 0.271 801 S C -1.499 173.184 174.600 0.137 0.000 1.135 801 S CA -0.937 57.451 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 -2.231 173.855 176.300 -0.357 0.000 1.032 802 R CA -0.941 54.920 56.100 -0.399 0.000 0.866 802 R CB 0.684 30.428 30.300 -0.927 0.000 1.263 802 R HN 0.417 nan 8.270 nan 0.000 0.475 803 Q N 0.373 120.000 119.800 -0.289 0.000 2.377 803 Q HA 0.682 5.022 4.340 0.000 0.000 0.271 803 Q C -1.122 174.744 176.000 -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 -1.742 118.060 119.914 -0.187 0.000 3.078 804 V HA 0.736 4.856 4.120 0.000 0.000 0.311 804 V C -0.268 175.741 176.094 -0.142 0.000 1.138 804 V CA -1.372 60.837 62.300 -0.152 0.000 1.007 804 V CB 1.394 33.131 31.823 -0.142 0.000 1.045 804 V HN 0.587 nan 8.190 nan 0.000 0.432 805 V N 0.052 119.888 119.914 -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 0.290 62.466 62.300 -0.206 0.000 1.173 805 V CB 0.217 31.905 31.823 -0.224 0.000 0.925 805 V HN 1.044 nan 8.190 nan 0.000 0.492 806 D N 3.733 124.010 120.400 -0.205 0.000 2.393 806 D HA 0.068 4.708 4.640 0.000 0.000 0.232 806 D C 1.113 177.260 176.300 -0.254 0.000 1.192 806 D CA -0.351 53.540 54.000 -0.181 0.000 0.882 806 D CB 0.987 41.720 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 -0.201 4.439 4.640 0.000 0.000 0.208 807 D C 1.342 177.442 176.300 -0.334 0.000 0.977 807 D CA 0.963 54.505 54.000 -0.764 0.000 0.871 807 D CB -0.311 39.952 40.800 -0.894 0.000 0.925 807 D HN 0.456 nan 8.370 nan 0.000 0.485 808 T N -4.208 110.240 114.554 -0.177 0.000 3.069 808 T HA 0.355 4.705 4.350 0.000 0.000 0.252 808 T C 1.542 176.215 174.700 -0.044 0.000 1.053 808 T CA 0.750 62.801 62.100 -0.082 0.000 0.964 808 T CB 0.306 69.137 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 -0.307 32.188 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 1.679 177.570 175.900 -0.013 0.000 1.024 810 Y CA -0.204 57.850 58.100 -0.075 0.000 1.321 810 Y CB 0.366 38.741 38.460 -0.141 0.000 1.151 810 Y HN 0.329 nan 8.280 nan 0.000 0.525 811 K N 2.988 123.221 120.400 -0.279 0.000 2.077 811 K HA -0.226 4.094 4.320 0.000 0.000 0.213 811 K C 1.060 177.426 176.600 -0.390 0.000 1.051 811 K CA 2.523 58.644 56.287 -0.277 0.000 0.929 811 K CB -0.724 31.659 32.500 -0.194 0.000 0.715 811 K HN 0.805 nan 8.250 nan 0.000 0.451 812 D N -1.560 118.347 120.400 -0.822 0.000 2.319 812 D HA 0.056 4.696 4.640 0.000 0.000 0.230 812 D C 0.095 176.202 176.300 -0.322 0.000 1.094 812 D CA -0.389 53.279 54.000 -0.553 0.000 0.856 812 D CB -0.626 39.917 40.800 -0.428 0.000 0.915 812 D HN 0.554 nan 8.370 nan 0.000 0.517 813 Y N 2.352 122.427 120.300 -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 0.565 58.685 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 5.435 124.854 119.800 -0.635 0.000 2.274 814 Q HA 0.134 4.474 4.340 0.000 0.000 0.268 814 Q C -1.387 174.199 176.000 -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 0.808 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 0.345 4.685 4.340 0.000 0.000 0.230 815 Q C -1.021 174.966 176.000 -0.020 0.000 1.180 815 Q CA -0.059 55.649 55.803 -0.158 0.000 0.914 815 Q CB 0.257 29.047 28.738 0.087 0.000 1.408 815 Q HN 0.308 nan 8.270 nan 0.000 0.520 816 V N 3.532 123.451 119.914 0.009 0.000 2.370 816 V HA 0.631 4.751 4.120 0.000 0.000 0.283 816 V C 0.798 176.878 176.094 -0.024 0.000 1.023 816 V CA -0.532 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 2.593 111.389 108.800 -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 -0.669 119.807 120.570 -0.158 0.000 2.194 818 I HA -0.202 3.968 4.170 0.000 0.000 0.246 818 I C 2.516 178.534 176.117 -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 -0.135 120.943 121.223 -0.241 0.000 2.197 819 L HA -0.250 4.090 4.340 0.000 0.000 0.215 819 L C 1.747 178.353 176.870 -0.439 0.000 1.095 819 L CA 1.831 56.450 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 -2.765 116.328 119.070 0.039 0.000 2.923 820 H HA 0.219 4.775 4.556 0.000 0.000 0.268 820 H C 0.026 175.348 175.328 -0.010 0.000 1.148 820 H CA -0.420 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 0.300 nan 8.280 nan 0.000 0.566 821 Q N 2.148 121.936 119.800 -0.019 0.000 2.261 821 Q HA 0.174 4.514 4.340 0.000 0.000 0.252 821 Q C -0.352 175.660 176.000 0.021 0.000 0.915 821 Q CA -0.537 55.173 55.803 -0.155 0.000 0.915 821 Q CB 1.079 29.533 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 0.052 0.000 2.744 822 H HA 0.529 5.085 4.556 0.000 0.000 0.339 822 H C -1.434 173.955 175.328 0.101 0.000 1.004 822 H CA -0.903 55.200 56.048 0.091 0.000 1.257 822 H CB 1.313 31.120 29.762 0.076 0.000 1.552 822 H HN 0.489 nan 8.280 nan 0.000 0.522 823 N N 3.551 122.399 118.700 0.247 0.000 2.616 823 N HA 0.096 4.836 4.740 0.000 0.000 0.281 823 N C -0.564 175.124 175.510 0.297 0.000 1.145 823 N CA -0.243 52.924 53.050 0.195 0.000 0.919 823 N CB 0.866 39.340 38.487 -0.022 0.000 1.509 823 N HN 0.863 nan 8.380 nan 0.000 0.537 824 N N -0.146 118.733 118.700 0.297 0.000 3.003 824 N HA -0.153 4.587 4.740 0.000 0.000 0.237 824 N C -0.575 175.178 175.510 0.406 0.000 0.969 824 N CA 1.070 54.338 53.050 0.363 0.000 0.941 824 N CB -1.446 37.219 38.487 0.297 0.000 1.098 824 N HN 0.728 nan 8.380 nan 0.000 0.563 825 S N -0.557 115.321 115.700 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 1.235 59.520 58.200 0.142 0.000 1.063 825 S CB 1.287 64.536 63.200 0.082 0.000 0.831 825 S HN 1.190 nan 8.310 nan 0.000 0.499 826 G N 2.260 110.954 108.800 -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 45.200 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 0.657 5.184 4.527 0.000 0.000 0.323 827 F C 0.816 176.619 175.800 0.005 0.000 1.091 827 F CA -0.241 57.768 58.000 0.015 0.000 1.192 827 F CB 1.135 40.151 39.000 0.026 0.000 1.056 827 F HN 0.167 nan 8.300 nan 0.000 0.571 828 V N -0.403 119.592 119.914 0.134 0.000 3.040 828 V HA 0.767 4.887 4.120 0.000 0.000 0.312 828 V C 0.258 176.370 176.094 0.030 0.000 1.115 828 V CA -1.086 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 0.781 109.575 108.800 -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 -1.259 173.678 174.900 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 1.413 121.677 120.300 -0.061 0.000 2.367 830 Y HA 0.374 4.924 4.550 0.000 0.000 0.342 830 Y C 1.039 176.932 175.900 -0.013 0.000 0.979 830 Y CA -1.006 57.071 58.100 -0.038 0.000 1.161 830 Y CB 0.380 38.809 38.460 -0.052 0.000 1.155 830 Y HN 0.523 nan 8.280 nan 0.000 0.503 831 L N 4.045 125.005 121.223 -0.438 0.000 3.976 831 L HA -0.310 4.030 4.340 0.000 0.000 0.418 831 L C -0.118 176.722 176.870 -0.050 0.000 1.177 831 L CA 0.964 55.591 54.840 -0.356 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 -1.912 120.876 122.820 -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 0.938 19.953 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 0.489 177.665 177.300 -0.208 0.000 1.668 833 P CA 0.538 63.446 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 -4.038 110.426 114.554 -0.151 0.000 2.902 834 T HA 0.402 4.752 4.350 0.000 0.000 0.287 834 T C 0.609 175.223 174.700 -0.143 0.000 1.048 834 T CA -1.022 60.991 62.100 -0.145 0.000 0.941 834 T CB 0.365 69.141 68.868 -0.153 0.000 1.432 834 T HN -0.035 nan 8.240 nan 0.000 0.586 835 M N 1.660 121.165 119.600 -0.159 0.000 2.252 835 M HA 0.183 4.663 4.480 0.000 0.000 0.329 835 M C 0.278 176.511 176.300 -0.112 0.000 1.101 835 M CA -0.586 54.632 55.300 -0.137 0.000 1.117 835 M CB 0.484 32.987 32.600 -0.162 0.000 1.563 835 M HN 0.752 nan 8.290 nan 0.000 0.445 836 R N 2.929 123.380 120.500 -0.081 0.000 2.734 836 R HA 0.282 4.622 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 0.027 56.087 56.100 -0.066 0.000 1.128 836 R CB -0.004 30.273 30.300 -0.038 0.000 1.010 836 R HN 0.738 nan 8.270 nan 0.000 0.461 837 E N -0.572 119.568 120.200 -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 0.814 30.450 29.700 -0.106 0.000 1.408 837 E HN 0.839 nan 8.360 nan 0.000 0.457 838 G N 0.524 109.225 108.800 -0.164 0.000 2.545 838 G HA2 -0.042 3.918 3.960 0.000 0.000 0.216 838 G HA3 -0.042 3.918 3.960 0.000 0.000 0.216 838 G C -1.153 173.622 174.900 -0.208 0.000 1.314 838 G CA 0.023 45.012 45.100 -0.185 0.000 0.906 838 G HN 0.950 nan 8.290 nan 0.000 0.563 839 Q N -1.416 118.263 119.800 -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 2.274 nan 8.270 nan 0.000 0.395 840 A N 1.303 124.076 122.820 -0.078 0.000 2.555 840 A HA 0.400 4.720 4.320 0.000 0.000 0.233 840 A C -1.100 176.641 177.584 0.262 0.000 1.060 840 A CA 0.702 52.824 52.037 0.143 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 0.386 120.739 120.300 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 -1.261 56.873 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 0.238 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 0.333 63.454 63.100 0.035 0.000 0.761 842 P CB 0.370 32.022 31.700 -0.079 0.000 0.785 843 A N 3.542 126.448 122.820 0.145 0.000 2.466 843 A HA 0.114 4.434 4.320 0.000 0.000 0.238 843 A C 1.170 178.742 177.584 -0.020 0.000 1.074 843 A CA -0.142 51.955 52.037 0.098 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 -0.068 118.512 118.700 -0.200 0.000 2.177 844 N HA 0.249 4.989 4.740 0.000 0.000 0.218 844 N C -0.669 174.730 175.510 -0.186 0.000 1.182 844 N CA -0.074 52.832 53.050 -0.240 0.000 0.882 844 N CB 0.313 38.523 38.487 -0.460 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 -2.989 172.526 175.800 -0.475 0.000 1.120 845 F CA -1.353 56.399 58.000 -0.412 0.000 0.978 845 F CB 1.604 40.404 39.000 -0.335 0.000 1.283 845 F HN -0.226 nan 8.300 nan 0.000 0.439 846 P HA 0.285 nan 4.420 nan 0.000 0.284 846 P C -1.458 175.432 177.300 -0.682 0.000 1.292 846 P CA -0.212 62.014 63.100 -1.456 0.000 0.800 846 P CB 0.741 31.750 31.700 -1.151 0.000 1.188 847 Y N -0.080 119.948 120.300 -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 -0.866 37.473 38.460 -0.201 0.000 1.253 847 Y HN 0.205 nan 8.280 nan 0.000 0.536 848 P HA 0.145 nan 4.420 nan 0.000 0.276 848 P C -0.053 177.200 177.300 -0.077 0.000 1.253 848 P CA 0.125 63.196 63.100 -0.047 0.000 0.766 848 P CB 0.746 32.428 31.700 -0.030 0.000 0.845 849 L N 2.891 124.066 121.223 -0.079 0.000 2.640 849 L HA 0.251 4.591 4.340 0.000 0.000 0.230 849 L C 1.067 177.893 176.870 -0.073 0.000 1.123 849 L CA 0.113 54.897 54.840 -0.093 0.000 0.900 849 L CB -0.176 41.827 42.059 -0.092 0.000 1.146 849 L HN 0.391 nan 8.230 nan 0.000 0.484 850 I N -4.009 116.527 120.570 -0.056 0.000 3.206 850 I HA 0.952 5.122 4.170 0.000 0.000 0.313 850 I C 0.354 176.451 176.117 -0.034 0.000 1.103 850 I CA -0.693 60.582 61.300 -0.041 0.000 0.985 850 I CB 1.699 39.680 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 -0.166 3.795 3.960 0.000 0.000 0.387 851 G HA3 -0.166 3.795 3.960 0.000 0.000 0.387 851 G C -0.056 174.835 174.900 -0.015 0.000 1.324 851 G CA -0.059 45.031 45.100 -0.018 0.000 0.878 851 G HN 0.867 nan 8.290 nan 0.000 0.527 852 K N -0.866 119.530 120.400 -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 0.090 32.590 32.500 0.001 0.000 0.788 852 K HN 0.367 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 0.329 4.649 4.320 0.000 0.000 0.232 854 A C 0.768 178.269 177.584 -0.139 0.000 1.041 854 A CA -0.071 51.915 52.037 -0.084 0.000 0.753 854 A CB -0.186 18.770 19.000 -0.073 0.000 0.966 854 A HN 0.477 nan 8.150 nan 0.000 0.510 855 V N 0.782 120.525 119.914 -0.286 0.000 2.953 855 V HA 0.310 4.430 4.120 0.000 0.000 0.304 855 V C 0.212 176.110 176.094 -0.326 0.000 1.073 855 V CA -1.171 60.805 62.300 -0.540 0.000 1.064 855 V CB 0.730 31.841 31.823 -1.185 0.000 1.047 855 V HN 0.791 nan 8.190 nan 0.000 0.478 856 D N 2.722 122.985 120.400 -0.228 0.000 2.487 856 D HA 0.211 4.851 4.640 0.000 0.000 0.243 856 D C 0.454 176.658 176.300 -0.160 0.000 1.154 856 D CA 0.684 54.621 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 0.959 nan 8.370 nan 0.000 0.478 857 S N 1.664 117.288 115.700 -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 -0.132 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 -0.450 175.610 176.117 -0.095 0.000 1.078 858 I CA -0.070 61.177 61.300 -0.088 0.000 1.048 858 I CB 2.386 40.335 38.000 -0.086 0.000 1.239 858 I HN 0.872 nan 8.210 nan 0.000 0.421 859 T N 5.797 120.310 114.554 -0.069 0.000 2.837 859 T HA 0.539 4.889 4.350 0.000 0.000 0.285 859 T C -0.631 174.041 174.700 -0.046 0.000 0.984 859 T CA -0.557 61.503 62.100 -0.067 0.000 1.049 859 T CB 0.857 69.703 68.868 -0.037 0.000 0.947 859 T HN 0.432 nan 8.240 nan 0.000 0.472 860 Q N 1.988 121.746 119.800 -0.069 0.000 2.321 860 Q HA 0.487 4.827 4.340 0.000 0.000 0.270 860 Q C -0.976 175.121 176.000 0.160 0.000 1.032 860 Q CA -0.872 54.939 55.803 0.014 0.000 0.784 860 Q CB 2.348 31.052 28.738 -0.056 0.000 1.264 860 Q HN 0.506 nan 8.270 nan 0.000 0.448 861 K N 2.174 122.716 120.400 0.237 0.000 2.371 861 K HA 0.639 4.959 4.320 0.000 0.000 0.251 861 K C -0.770 175.992 176.600 0.269 0.000 0.934 861 K CA -0.903 55.553 56.287 0.282 0.000 0.798 861 K CB 2.339 34.954 32.500 0.193 0.000 1.204 861 K HN 0.560 nan 8.250 nan 0.000 0.427 862 K N 0.469 121.004 120.400 0.225 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 0.164 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 -2.375 173.422 175.800 -0.005 0.000 1.144 863 F CA -1.241 56.739 58.000 -0.033 0.000 0.938 863 F CB 0.871 39.935 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 0.165 0.000 2.333 864 L HA 0.714 5.054 4.340 0.000 0.000 0.269 864 L C -0.631 176.497 176.870 0.431 0.000 1.010 864 L CA -0.836 54.077 54.840 0.123 0.000 0.818 864 L CB 1.798 43.823 42.059 -0.056 0.000 1.306 864 L HN 1.029 nan 8.230 nan 0.000 0.430 865 C N 2.038 121.600 119.300 0.436 0.000 3.173 865 C HA 0.292 4.752 4.460 0.000 0.000 0.209 865 C C -0.439 174.705 174.990 0.255 0.000 1.229 865 C CA -0.848 58.406 59.018 0.394 0.000 1.109 865 C CB -1.014 27.069 27.740 0.572 0.000 1.833 865 C HN 0.785 nan 8.230 nan 0.000 0.626 866 D N 1.548 122.122 120.400 0.290 0.000 2.354 866 D HA 0.106 4.746 4.640 0.000 0.000 0.238 866 D C 1.041 177.551 176.300 0.350 0.000 1.250 866 D CA 0.366 54.589 54.000 0.371 0.000 0.911 866 D CB 0.392 41.473 40.800 0.468 0.000 1.163 866 D HN 0.710 nan 8.370 nan 0.000 0.456 867 R N -1.387 119.393 120.500 0.466 0.000 3.358 867 R HA -0.248 4.092 4.340 0.000 0.000 0.248 867 R C -0.916 175.660 176.300 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 -0.181 114.574 114.554 0.335 0.000 2.816 868 T HA 0.685 5.035 4.350 0.000 0.000 0.299 868 T C -1.064 173.573 174.700 -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 70.234 68.868 0.101 0.000 1.289 868 T HN 0.271 nan 8.240 nan 0.000 0.508 869 L N 1.824 122.920 121.223 -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 -0.926 53.649 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 2.824 123.778 121.300 -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 56.478 57.345 -0.649 0.000 1.226 870 W CB 0.613 29.354 29.460 -1.199 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 -0.937 175.240 176.300 -0.206 0.000 0.969 871 R CA -0.950 55.035 56.100 -0.193 0.000 0.898 871 R CB 1.853 32.020 30.300 -0.221 0.000 1.183 871 R HN 0.425 nan 8.270 nan 0.000 0.456 872 I N 3.660 124.235 120.570 0.008 0.000 2.583 872 I HA 0.272 4.442 4.170 0.000 0.000 0.276 872 I C -2.434 173.891 176.117 0.348 0.000 1.089 872 I CA -2.190 59.184 61.300 0.123 0.000 1.103 872 I CB 1.869 39.934 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 -0.336 177.224 177.300 0.434 0.000 1.227 873 P CA -0.220 63.019 63.100 0.231 0.000 0.781 873 P CB 0.662 32.462 31.700 0.166 0.000 0.906 874 F N 2.308 122.210 119.950 -0.081 0.000 2.669 874 F HA 0.294 4.821 4.527 0.000 0.000 0.353 874 F C 0.396 176.225 175.800 0.049 0.000 1.192 874 F CA -0.144 57.793 58.000 -0.104 0.000 1.317 874 F CB -0.561 38.126 39.000 -0.523 0.000 1.652 874 F HN 0.088 nan 8.300 nan 0.000 0.608 875 S N 0.270 116.047 115.700 0.130 0.000 2.521 875 S HA 0.325 4.795 4.470 0.000 0.000 0.295 875 S C 1.073 175.615 174.600 -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 64.494 63.200 0.036 0.000 1.034 875 S HN 0.475 nan 8.310 nan 0.000 0.483 876 S N 3.551 119.163 115.700 -0.147 0.000 2.407 876 S HA -0.206 4.264 4.470 0.000 0.000 0.235 876 S C 0.963 175.364 174.600 -0.331 0.000 1.036 876 S CA 1.899 59.971 58.200 -0.213 0.000 1.013 876 S CB -0.732 62.379 63.200 -0.148 0.000 0.820 876 S HN 0.911 nan 8.310 nan 0.000 0.476 877 N N -0.786 117.775 118.700 -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 -0.365 52.599 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 0.277 nan 8.380 nan 0.000 0.517 878 F N -1.369 118.646 119.950 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 36.975 39.000 0.037 0.000 1.610 878 F HN 0.121 nan 8.300 nan 0.000 0.305 879 M N -0.277 119.428 119.600 0.175 0.000 2.283 879 M HA 0.372 4.852 4.480 0.000 0.000 0.314 879 M C 0.681 177.012 176.300 0.051 0.000 1.153 879 M CA -0.104 55.258 55.300 0.103 0.000 1.084 879 M CB 0.814 33.485 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 -0.451 57.751 58.200 0.002 0.000 1.077 880 S CB 0.170 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 2.268 121.876 119.600 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 -0.187 108.621 108.800 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 0.095 175.017 174.900 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 0.293 123.148 122.820 0.058 0.000 1.892 883 A HA 0.110 4.430 4.320 0.000 0.000 0.218 883 A C 1.652 179.378 177.584 0.235 0.000 1.188 883 A CA 2.195 54.281 52.037 0.081 0.000 0.631 883 A CB -0.297 18.786 19.000 0.139 0.000 0.822 883 A HN 1.812 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 0.311 4.651 4.340 0.000 0.000 0.286 884 L C 0.864 177.810 176.870 0.127 0.000 1.108 884 L CA 0.279 55.277 54.840 0.263 0.000 0.875 884 L CB -0.304 41.800 42.059 0.075 0.000 1.246 884 L HN 0.410 nan 8.230 nan 0.000 0.439 885 T N -0.027 114.598 114.554 0.118 0.000 2.795 885 T HA 0.041 4.391 4.350 0.000 0.000 0.314 885 T C 1.124 175.846 174.700 0.037 0.000 1.069 885 T CA 0.252 62.383 62.100 0.053 0.000 1.071 885 T CB 0.545 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 1.493 121.890 120.400 -0.004 0.000 2.117 886 D HA -0.122 4.518 4.640 0.000 0.000 0.198 886 D C 2.077 178.366 176.300 -0.019 0.000 0.982 886 D CA 1.183 55.176 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 0.366 121.525 121.223 -0.108 0.000 2.072 887 L HA 0.075 4.415 4.340 0.000 0.000 0.205 887 L C 2.706 179.590 176.870 0.023 0.000 1.079 887 L CA 1.303 56.017 54.840 -0.211 0.000 0.752 887 L CB -0.819 40.698 42.059 -0.902 0.000 0.906 887 L HN 0.213 nan 8.230 nan 0.000 0.436 888 G N -0.190 108.691 108.800 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 45.960 45.100 0.282 0.000 0.757 888 G HN 0.601 nan 8.290 nan 0.000 0.559 889 Q N -0.228 119.661 119.800 0.148 0.000 2.194 889 Q HA 0.135 4.475 4.340 0.000 0.000 0.214 889 Q C 0.264 176.336 176.000 0.120 0.000 0.838 889 Q CA -0.598 55.275 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 1.628 120.433 118.700 0.174 0.000 2.483 890 N HA 0.019 4.759 4.740 0.000 0.000 0.264 890 N C 1.013 176.604 175.510 0.136 0.000 1.197 890 N CA 0.077 53.221 53.050 0.157 0.000 0.927 890 N CB 0.895 39.518 38.487 0.226 0.000 1.065 890 N HN 0.332 nan 8.380 nan 0.000 0.461 891 L N 3.062 124.322 121.223 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 1.151 56.016 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 -1.807 119.372 121.223 -0.073 0.000 2.265 892 L HA -0.207 4.133 4.340 0.000 0.000 0.215 892 L C 1.860 178.547 176.870 -0.305 0.000 1.117 892 L CA 1.765 56.471 54.840 -0.223 0.000 0.782 892 L CB -0.717 41.112 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 2.243 178.255 175.900 0.186 0.000 1.146 893 Y CA 0.303 58.468 58.100 0.109 0.000 1.283 893 Y CB -0.176 38.358 38.460 0.123 0.000 1.090 893 Y HN 0.282 nan 8.280 nan 0.000 0.526 894 A N -0.142 122.814 122.820 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 0.536 52.672 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 0.853 119.606 118.700 0.089 0.000 2.573 895 N HA -0.003 4.737 4.740 0.000 0.000 0.187 895 N C 0.095 175.636 175.510 0.052 0.000 1.107 895 N CA 1.022 54.105 53.050 0.055 0.000 0.918 895 N CB -0.053 38.453 38.487 0.032 0.000 0.966 895 N HN 0.593 nan 8.380 nan 0.000 0.448 896 S N -2.283 113.474 115.700 0.096 0.000 2.587 896 S HA 0.734 5.204 4.470 0.000 0.000 0.269 896 S C -1.175 173.485 174.600 0.100 0.000 1.154 896 S CA -1.070 57.152 58.200 0.037 0.000 0.824 896 S CB 1.477 64.636 63.200 -0.069 0.000 1.118 896 S HN 0.082 nan 8.310 nan 0.000 0.462 897 A N 1.403 124.211 122.820 -0.020 0.000 2.304 897 A HA 0.775 5.095 4.320 0.000 0.000 0.301 897 A C -0.301 177.224 177.584 -0.098 0.000 1.132 897 A CA -0.451 51.631 52.037 0.075 0.000 0.819 897 A CB 0.277 19.293 19.000 0.026 0.000 1.094 897 A HN 0.835 nan 8.150 nan 0.000 0.492 898 H N -0.270 119.033 119.070 0.388 0.000 2.895 898 H HA 0.611 5.167 4.556 0.000 0.000 0.373 898 H C -0.257 175.377 175.328 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 -0.988 176.733 177.584 0.229 0.000 1.146 899 A CA -0.536 51.696 52.037 0.325 0.000 0.827 899 A CB 1.017 20.129 19.000 0.185 0.000 1.178 899 A HN 0.440 nan 8.150 nan 0.000 0.490 900 L N 1.184 122.489 121.223 0.138 0.000 2.408 900 L HA 0.623 4.963 4.340 0.000 0.000 0.268 900 L C -1.609 175.223 176.870 -0.062 0.000 0.986 900 L CA -0.196 54.554 54.840 -0.149 0.000 0.820 900 L CB 2.192 44.042 42.059 -0.348 0.000 1.303 900 L HN 0.672 nan 8.230 nan 0.000 0.411 901 D N 6.352 126.663 120.400 -0.148 0.000 2.505 901 D HA 0.509 5.149 4.640 0.000 0.000 0.249 901 D C -0.869 175.330 176.300 -0.168 0.000 1.082 901 D CA -0.206 53.738 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 -0.838 175.328 176.300 -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 2.758 117.103 114.554 -0.349 0.000 2.906 903 T HA 0.585 4.935 4.350 0.000 0.000 0.302 903 T C -1.026 173.472 174.700 -0.337 0.000 1.002 903 T CA -0.389 61.580 62.100 -0.219 0.000 0.988 903 T CB 0.478 69.267 68.868 -0.130 0.000 0.972 903 T HN 0.269 nan 8.240 nan 0.000 0.447 904 F N 1.707 121.578 119.950 -0.132 0.000 2.422 904 F HA 0.495 5.022 4.527 0.000 0.000 0.333 904 F C 0.913 176.675 175.800 -0.064 0.000 1.095 904 F CA -0.910 57.030 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 2.658 122.936 120.200 0.131 0.000 2.185 905 E HA 0.552 4.902 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 1.833 31.538 29.700 0.009 0.000 1.152 905 E HN 0.518 nan 8.360 nan 0.000 0.416 906 V N 0.513 120.397 119.914 -0.050 0.000 3.074 906 V HA 0.539 4.659 4.120 0.000 0.000 0.314 906 V C -0.338 175.691 176.094 -0.108 0.000 1.117 906 V CA -1.059 61.146 62.300 -0.159 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 5.036 4.640 0.000 0.000 0.243 907 D C -2.513 173.745 176.300 -0.070 0.000 1.121 907 D CA -0.830 53.130 54.000 -0.067 0.000 0.898 907 D CB 1.163 41.935 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 -0.488 176.803 177.300 -0.015 0.000 1.239 908 P CA -0.188 62.897 63.100 -0.026 0.000 0.789 908 P CB 0.727 32.423 31.700 -0.007 0.000 0.933 909 M N 1.933 121.523 119.600 -0.018 0.000 2.395 909 M HA 0.190 4.670 4.480 0.000 0.000 0.307 909 M C 0.249 176.554 176.300 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 0.657 121.071 120.400 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 -1.451 118.754 120.200 0.009 0.000 2.390 911 E HA 0.453 4.803 4.350 0.000 0.000 0.277 911 E C -3.178 173.419 176.600 -0.005 0.000 0.939 911 E CA -2.560 53.843 56.400 0.004 0.000 0.769 911 E CB 1.527 31.234 29.700 0.011 0.000 1.251 911 E HN -0.232 nan 8.360 nan 0.000 0.450 912 P HA 0.044 nan 4.420 nan 0.000 0.267 912 P C -0.438 176.853 177.300 -0.015 0.000 1.205 912 P CA 0.282 63.374 63.100 -0.014 0.000 0.765 912 P CB 0.766 32.456 31.700 -0.017 0.000 0.828 913 T N 0.740 115.284 114.554 -0.017 0.000 2.742 913 T HA 0.800 5.150 4.350 0.000 0.000 0.282 913 T C -0.677 174.018 174.700 -0.008 0.000 1.025 913 T CA -0.888 61.201 62.100 -0.019 0.000 1.020 913 T CB 0.906 69.750 68.868 -0.040 0.000 1.317 913 T HN 0.150 nan 8.240 nan 0.000 0.538 914 L N 0.638 121.864 121.223 0.006 0.000 2.422 914 L HA 0.622 4.962 4.340 0.000 0.000 0.264 914 L C -1.310 175.608 176.870 0.080 0.000 0.984 914 L CA -1.244 53.619 54.840 0.038 0.000 0.819 914 L CB 2.258 44.330 42.059 0.022 0.000 1.330 914 L HN 0.653 nan 8.230 nan 0.000 0.410 915 L N 2.849 124.139 121.223 0.112 0.000 2.255 915 L HA 0.394 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 -0.098 54.815 54.840 0.122 0.000 0.816 915 L CB 0.568 42.590 42.059 -0.063 0.000 1.197 915 L HN 0.432 nan 8.230 nan 0.000 0.427 916 Y N 6.051 126.424 120.300 0.120 0.000 2.404 916 Y HA 0.569 5.119 4.550 0.000 0.000 0.344 916 Y C -1.061 174.918 175.900 0.132 0.000 0.970 916 Y CA -1.290 56.894 58.100 0.139 0.000 1.180 916 Y CB 0.882 39.428 38.460 0.144 0.000 1.138 916 Y HN 0.358 nan 8.280 nan 0.000 0.510 917 V N 7.669 127.785 119.914 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 -1.004 61.351 62.300 0.091 0.000 0.861 917 V CB 1.625 33.529 31.823 0.135 0.000 0.985 917 V HN 0.578 nan 8.190 nan 0.000 0.436 918 L N 4.925 126.035 121.223 -0.189 0.000 2.265 918 L HA 0.529 4.869 4.340 0.000 0.000 0.289 918 L C -0.896 175.877 176.870 -0.163 0.000 1.033 918 L CA -0.091 54.668 54.840 -0.135 0.000 0.814 918 L CB 1.120 43.039 42.059 -0.232 0.000 1.203 918 L HN 0.523 nan 8.230 nan 0.000 0.423 919 F N 1.834 121.752 119.950 -0.055 0.000 2.335 919 F HA 0.224 4.751 4.527 0.000 0.000 0.365 919 F C 0.971 176.691 175.800 -0.133 0.000 1.122 919 F CA -0.600 57.359 58.000 -0.068 0.000 1.151 919 F CB 0.679 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 3.582 123.713 120.200 -0.116 0.000 2.351 920 E HA 0.344 4.694 4.350 0.000 0.000 0.266 920 E C -0.052 176.418 176.600 -0.217 0.000 1.031 920 E CA -0.216 56.029 56.400 -0.259 0.000 0.911 920 E CB 0.891 30.356 29.700 -0.392 0.000 0.986 920 E HN 0.485 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 1.087 32.979 31.823 0.116 0.000 1.077 921 V HN 0.413 nan 8.190 nan 0.000 0.473 922 F N 1.203 121.148 119.950 -0.008 0.000 2.411 922 F HA 0.696 5.223 4.527 0.000 0.000 0.352 922 F C -0.068 175.724 175.800 -0.013 0.000 1.123 922 F CA -0.185 57.798 58.000 -0.029 0.000 1.044 922 F CB 1.294 40.290 39.000 -0.007 0.000 1.135 922 F HN 0.576 nan 8.300 nan 0.000 0.461 923 D N 3.974 124.397 120.400 0.038 0.000 2.438 923 D HA 0.474 5.114 4.640 0.000 0.000 0.257 923 D C -1.087 175.208 176.300 -0.008 0.000 1.148 923 D CA 0.023 54.019 54.000 -0.007 0.000 0.902 923 D CB 1.111 41.791 40.800 -0.201 0.000 1.062 923 D HN 0.187 nan 8.370 nan 0.000 0.518 924 V N 2.192 122.229 119.914 0.207 0.000 3.001 924 V HA 0.674 4.794 4.120 0.000 0.000 0.314 924 V C -0.100 176.157 176.094 0.271 0.000 1.099 924 V CA -0.851 61.607 62.300 0.264 0.000 0.989 924 V CB 2.356 34.284 31.823 0.174 0.000 1.040 924 V HN 0.257 nan 8.190 nan 0.000 0.434 925 V N 1.808 121.835 119.914 0.187 0.000 2.841 925 V HA 0.636 4.756 4.120 0.000 0.000 0.310 925 V C -0.518 175.551 176.094 -0.041 0.000 1.090 925 V CA -0.849 61.387 62.300 -0.108 0.000 0.930 925 V CB 2.114 33.691 31.823 -0.410 0.000 1.014 925 V HN 0.848 nan 8.190 nan 0.000 0.425 926 R N 1.966 122.415 120.500 -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 4.674 124.605 119.914 0.028 0.000 2.394 927 V HA 0.293 4.413 4.120 0.000 0.000 0.282 927 V C 0.047 176.214 176.094 0.122 0.000 1.031 927 V CA -0.618 61.727 62.300 0.075 0.000 0.881 927 V CB 1.219 33.107 31.823 0.108 0.000 0.982 927 V HN 0.668 nan 8.190 nan 0.000 0.451 928 H N 5.510 124.588 119.070 0.015 0.000 2.466 928 H HA 0.554 5.110 4.556 0.000 0.000 0.338 928 H C -0.424 174.919 175.328 0.024 0.000 1.091 928 H CA -0.830 55.224 56.048 0.010 0.000 1.207 928 H CB 1.369 31.136 29.762 0.008 0.000 1.466 928 H HN 0.570 nan 8.280 nan 0.000 0.493 929 R N 5.887 126.166 120.500 -0.368 0.000 2.738 929 R HA 0.186 4.526 4.340 0.000 0.000 0.280 929 R C -1.996 174.069 176.300 -0.391 0.000 1.456 929 R CA -1.692 54.257 56.100 -0.251 0.000 1.612 929 R CB 0.483 30.738 30.300 -0.076 0.000 1.286 929 R HN 0.501 nan 8.270 nan 0.000 0.660 930 P HA -0.147 nan 4.420 nan 0.000 0.216 930 P C -0.519 176.345 177.300 -0.727 0.000 1.153 930 P CA 1.507 64.201 63.100 -0.677 0.000 0.858 930 P CB 0.269 31.657 31.700 -0.519 0.000 0.789 931 H N -3.855 115.179 119.070 -0.061 0.000 2.977 931 H HA 0.387 4.943 4.556 0.000 0.000 0.350 931 H C -0.007 175.314 175.328 -0.010 0.000 1.238 931 H CA -1.119 54.915 56.048 -0.024 0.000 1.124 931 H CB 0.867 30.622 29.762 -0.011 0.000 1.866 931 H HN -0.246 nan 8.280 nan 0.000 0.550 932 R N 1.023 121.605 120.500 0.138 0.000 2.494 932 R HA 0.060 4.400 4.340 0.000 0.000 0.291 932 R C 0.309 176.610 176.300 0.000 0.000 0.953 932 R CA 1.410 57.542 56.100 0.054 0.000 1.098 932 R CB -0.517 29.802 30.300 0.031 0.000 0.911 932 R HN 1.096 nan 8.270 nan 0.000 0.407 933 G N 2.603 111.353 108.800 -0.082 0.000 2.273 933 G HA2 -0.247 3.713 3.960 0.000 0.000 0.280 933 G HA3 -0.247 3.713 3.960 0.000 0.000 0.280 933 G C -0.386 174.469 174.900 -0.074 0.000 1.047 933 G CA 0.273 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 0.169 176.355 176.094 0.152 0.000 1.027 934 V CA -0.762 61.609 62.300 0.120 0.000 0.862 934 V CB 1.645 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 3.204 123.882 120.570 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 -0.595 176.093 176.600 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 -1.590 113.049 114.554 0.141 0.000 2.908 937 T HA 0.625 4.975 4.350 0.000 0.000 0.290 937 T C -0.555 174.209 174.700 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 2.692 122.617 119.914 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 0.072 0.000 0.834 938 V CB 0.417 32.266 31.823 0.044 0.000 1.009 938 V HN 0.887 nan 8.190 nan 0.000 0.428 939 Y N 4.943 125.313 120.300 0.116 0.000 2.334 939 Y HA 0.744 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 -0.822 57.369 58.100 0.152 0.000 1.163 939 Y CB 1.757 40.323 38.460 0.177 0.000 1.207 939 Y HN 0.527 nan 8.280 nan 0.000 0.471 940 L N 4.495 125.894 121.223 0.292 0.000 2.516 940 L HA 0.514 4.854 4.340 0.000 0.000 0.267 940 L C -1.376 175.623 176.870 0.215 0.000 0.957 940 L CA -0.802 54.159 54.840 0.203 0.000 0.860 940 L CB 1.558 43.692 42.059 0.125 0.000 1.265 940 L HN 0.649 nan 8.230 nan 0.000 0.403 941 R N 3.585 124.201 120.500 0.193 0.000 2.371 941 R HA 0.728 5.068 4.340 0.000 0.000 0.312 941 R C -1.495 174.907 176.300 0.171 0.000 0.980 941 R CA -0.035 56.180 56.100 0.191 0.000 0.867 941 R CB 1.149 31.564 30.300 0.192 0.000 1.163 941 R HN 0.835 nan 8.270 nan 0.000 0.492 942 T N 2.267 116.940 114.554 0.198 0.000 2.916 942 T HA 0.507 4.857 4.350 0.000 0.000 0.298 942 T C -2.729 172.143 174.700 0.287 0.000 1.031 942 T CA -1.888 60.325 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 -0.235 177.207 177.300 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 -3.043 116.798 119.950 -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 0.188 58.092 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 0.064 115.783 115.700 0.032 0.000 2.562 945 S HA 0.643 5.113 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 1.403 64.615 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