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_G DATA FIRST_RESID 5 DATA SEQUENCE MMPQWSYMHI SGQDASEYLS PGLVQFARAT ETYFSLNNKF RNPTVAPTHD DATA SEQUENCE VTTDRSQRLT LRFIPVDRED TAYSYKARFT LAVGDNRVLD MASTYFDIRG DATA SEQUENCE VLDRGPTFKP YSGTAYNALA PKGAPNPCEW DXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX THVFGQAPYS GINITKEGIQ IGXXXXXXKY ADKTFQPEPQ DATA SEQUENCE IGESQWYETE INHAAGRVLK KTTPMKPCYG SYAKPTNENG GQGILVXXXX DATA SEQUENCE XXXESQVEMQ FFSTTXXXXX XXXNLTPKVV LYSEDVDIET PDTHISYMPT DATA SEQUENCE IKEGNSRELM GQQSMPNRPN YIAFRDNFIG LMYYNSTGNM GVLAGQASQL DATA SEQUENCE NAVVDLQDRN TELSYQLLLD SIGDRTRYFS MWNQAVDSYD PDVRIIENHG DATA SEQUENCE TEDELPNYCF PLGGVINTET LTKVKPXXXX XXGWEKDAXX FSDKNEIRVG DATA SEQUENCE NNFAMEINLN ANLWRNFLYS NIALYLPDKL KYSPSNVKIS DNPNTYDYMN DATA SEQUENCE KRVVAPGLVD CYINLGARWS LDYMDNVNPF NHHRNAGLRY RSMLLGNGRY DATA SEQUENCE VPFHIQVPQK FFAIKNLLLL PGSYTYEWNF RKDVNMVLQS SLGNDLRVDG DATA SEQUENCE ASIKFDSICL YATFFPMAHN TASTLEAMLR NDTNDQSFND YLSAANMLYP DATA SEQUENCE IPANATNVPI SIPSRNWAAF RGWAFTRLKT KETPSLGSGY DPYYTYSGSI DATA SEQUENCE PYLDGTFYLN HTFKKVAITF DSSVSWPGND RLLTPNEFEI KRSVDGEGYN DATA SEQUENCE VAQCNMTKDW FLVQMLANYN IGYQGFYIPE SYKDRMYSFF RNFQPMSRQV DATA SEQUENCE VDDTKYKDYQ QVGILHQHNN SGFVGYLAPT MREGQAYPAN FPYPLIGKTA DATA SEQUENCE VDSITQKKFL CDRTLWRIPF SSNFMSMGAL TDLGQNLLYA NSAHALDMTF DATA SEQUENCE EVDPMDEPTL LYVLFEVFDV VRVHRPHRGV IETVYLRTPF SA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 175.621 176.300 -1.131 0.000 1.140 5 M CA 0.000 54.517 55.300 -1.305 0.000 0.988 5 M CB 0.000 32.160 32.600 -0.732 0.000 1.302 6 M N 0.568 119.726 119.600 -0.736 0.000 5.905 6 M HA -0.275 4.205 4.480 -0.000 0.000 0.326 6 M C -0.282 175.927 176.300 -0.151 0.000 0.705 6 M CA 2.897 58.019 55.300 -0.297 0.000 0.949 6 M CB -2.938 29.571 32.600 -0.153 0.000 1.421 6 M HN 0.737 nan 8.290 nan 0.000 0.862 7 P HA -0.257 nan 4.420 nan 0.000 0.216 7 P C 1.449 178.760 177.300 0.018 0.000 1.151 7 P CA 2.445 65.513 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 2.306 178.472 176.000 0.276 0.000 0.982 8 Q CA 1.536 57.414 55.803 0.125 0.000 0.850 8 Q CB -0.660 28.154 28.738 0.128 0.000 0.901 8 Q HN 0.339 nan 8.270 nan 0.000 0.422 9 W N 1.248 122.556 121.300 0.015 0.000 2.333 9 W HA -0.165 4.495 4.660 -0.000 0.000 0.316 9 W C 2.633 179.142 176.519 -0.017 0.000 1.215 9 W CA 1.342 58.692 57.345 0.009 0.000 1.278 9 W CB -1.246 28.225 29.460 0.018 0.000 1.154 9 W HN 0.125 nan 8.180 nan 0.000 0.486 10 S N -1.048 114.781 115.700 0.215 0.000 2.368 10 S HA -0.239 4.231 4.470 -0.000 0.000 0.224 10 S C 1.666 176.172 174.600 -0.157 0.000 1.029 10 S CA 1.301 59.543 58.200 0.070 0.000 0.988 10 S CB -1.303 61.947 63.200 0.083 0.000 0.838 10 S HN 0.264 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 2.118 177.743 175.900 -0.459 0.000 1.154 11 Y CA 1.438 59.360 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 -0.731 118.768 119.600 -0.168 0.000 2.618 12 M HA -0.019 4.461 4.480 -0.000 0.000 0.240 12 M C 0.073 176.287 176.300 -0.143 0.000 1.123 12 M CA 0.893 56.103 55.300 -0.150 0.000 1.060 12 M CB -1.123 31.508 32.600 0.051 0.000 1.535 12 M HN 0.423 nan 8.290 nan 0.000 0.507 13 H N -1.975 117.058 119.070 -0.061 0.000 3.109 13 H HA -0.146 4.410 4.556 -0.000 0.000 0.245 13 H C 1.336 176.661 175.328 -0.005 0.000 1.187 13 H CA 0.828 56.844 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 1.512 62.772 61.300 -0.068 0.000 1.445 14 I CB 0.196 38.049 38.000 -0.244 0.000 1.086 14 I HN 0.420 nan 8.210 nan 0.000 0.433 15 S N -1.475 114.266 115.700 0.069 0.000 2.705 15 S HA 0.829 5.299 4.470 -0.000 0.000 0.280 15 S C -0.121 174.586 174.600 0.179 0.000 1.174 15 S CA -0.158 58.116 58.200 0.123 0.000 0.823 15 S CB 1.519 64.844 63.200 0.207 0.000 1.162 15 S HN 0.485 nan 8.310 nan 0.000 0.487 16 G N 0.716 109.619 108.800 0.172 0.000 2.466 16 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.218 16 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.218 16 G C -0.958 174.054 174.900 0.188 0.000 1.237 16 G CA -0.167 45.040 45.100 0.178 0.000 0.954 16 G HN 1.047 nan 8.290 nan 0.000 0.580 17 Q N 0.464 120.408 119.800 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 -0.369 120.080 120.400 0.081 0.000 2.283 18 D HA 0.195 4.835 4.640 -0.000 0.000 0.248 18 D C 0.591 176.609 176.300 -0.471 0.000 1.072 18 D CA -0.047 53.908 54.000 -0.076 0.000 0.929 18 D CB 1.400 42.151 40.800 -0.082 0.000 1.182 18 D HN 0.647 nan 8.370 nan 0.000 0.433 19 A N 1.434 123.821 122.820 -0.722 0.000 1.958 19 A HA -0.248 4.072 4.320 -0.000 0.000 0.221 19 A C 2.027 179.127 177.584 -0.806 0.000 1.178 19 A CA 2.610 53.901 52.037 -1.243 0.000 0.642 19 A CB -0.772 17.851 19.000 -0.629 0.000 0.816 19 A HN 0.586 nan 8.150 nan 0.000 0.453 20 S N -0.081 115.358 115.700 -0.435 0.000 2.419 20 S HA -0.186 4.284 4.470 -0.000 0.000 0.233 20 S C 1.463 175.928 174.600 -0.226 0.000 1.016 20 S CA 1.504 59.538 58.200 -0.277 0.000 0.974 20 S CB -0.362 62.736 63.200 -0.170 0.000 0.786 20 S HN 0.765 nan 8.310 nan 0.000 0.492 21 E N 0.334 120.401 120.200 -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 0.699 57.041 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 0.882 121.154 120.300 -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 1.849 122.967 121.223 -0.175 0.000 2.472 23 L HA 0.175 4.515 4.340 -0.000 0.000 0.260 23 L C 1.009 177.822 176.870 -0.095 0.000 1.209 23 L CA -0.288 54.462 54.840 -0.149 0.000 0.817 23 L CB 0.455 42.259 42.059 -0.424 0.000 1.106 23 L HN 0.343 nan 8.230 nan 0.000 0.479 24 S N 0.821 116.477 115.700 -0.074 0.000 2.585 24 S HA 0.176 4.646 4.470 -0.000 0.000 0.273 24 S C -1.798 172.764 174.600 -0.064 0.000 1.339 24 S CA -1.070 57.103 58.200 -0.046 0.000 1.028 24 S CB 1.025 64.209 63.200 -0.027 0.000 0.906 24 S HN 0.402 nan 8.310 nan 0.000 0.528 25 P HA 0.034 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 1.580 64.660 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 0.323 109.120 108.800 -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 1.480 176.406 174.900 0.044 0.000 1.158 26 G CA 0.633 45.747 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 2.906 179.773 176.870 -0.005 0.000 1.077 27 L CA 1.412 56.232 54.840 -0.033 0.000 0.747 27 L CB -0.586 41.394 42.059 -0.131 0.000 0.896 27 L HN 0.076 nan 8.230 nan 0.000 0.432 28 V N -0.093 119.780 119.914 -0.068 0.000 2.287 28 V HA -0.374 3.746 4.120 -0.000 0.000 0.248 28 V C 3.108 179.196 176.094 -0.011 0.000 1.053 28 V CA 2.380 64.633 62.300 -0.079 0.000 1.027 28 V CB -1.409 30.351 31.823 -0.106 0.000 0.646 28 V HN 0.720 nan 8.190 nan 0.000 0.447 29 Q N -0.862 118.948 119.800 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 2.348 58.167 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 1.375 121.306 119.950 -0.033 0.000 2.095 30 F HA -0.047 4.480 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 1.705 59.694 58.000 -0.017 0.000 1.232 30 F CB -0.669 38.330 39.000 -0.002 0.000 0.987 30 F HN 0.350 nan 8.300 nan 0.000 0.475 31 A N 0.591 123.584 122.820 0.287 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 2.993 55.127 52.037 0.162 0.000 0.624 31 A CB -1.555 17.496 19.000 0.086 0.000 0.822 31 A HN 0.479 nan 8.150 nan 0.000 0.444 32 R N -0.818 119.662 120.500 -0.034 0.000 2.096 32 R HA 0.163 4.503 4.340 -0.000 0.000 0.235 32 R C 2.485 178.718 176.300 -0.112 0.000 1.127 32 R CA 2.217 58.278 56.100 -0.067 0.000 0.968 32 R CB -1.646 28.624 30.300 -0.051 0.000 0.861 32 R HN 0.966 nan 8.270 nan 0.000 0.440 33 A N 0.661 123.386 122.820 -0.159 0.000 1.970 33 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 33 A C 2.518 179.905 177.584 -0.328 0.000 1.170 33 A CA 2.040 53.956 52.037 -0.202 0.000 0.645 33 A CB -0.490 18.386 19.000 -0.207 0.000 0.816 33 A HN 0.675 nan 8.150 nan 0.000 0.447 34 T N -3.345 110.908 114.554 -0.501 0.000 3.067 34 T HA 0.239 4.589 4.350 -0.000 0.000 0.257 34 T C 1.707 176.010 174.700 -0.662 0.000 1.105 34 T CA 1.485 63.078 62.100 -0.846 0.000 1.104 34 T CB -0.346 68.134 68.868 -0.646 0.000 0.925 34 T HN 0.615 nan 8.240 nan 0.000 0.498 35 E N 2.518 122.529 120.200 -0.314 0.000 2.170 35 E HA -0.347 4.003 4.350 -0.000 0.000 0.229 35 E C 2.227 178.730 176.600 -0.162 0.000 1.074 35 E CA 2.910 59.200 56.400 -0.182 0.000 0.930 35 E CB -2.264 27.370 29.700 -0.110 0.000 0.806 35 E HN 0.957 nan 8.360 nan 0.000 0.478 36 T N -2.335 112.140 114.554 -0.131 0.000 3.007 36 T HA -0.030 4.320 4.350 -0.000 0.000 0.270 36 T C 1.813 176.563 174.700 0.083 0.000 1.107 36 T CA 1.620 63.716 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 -1.644 118.687 120.300 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 0.643 39.144 38.460 0.069 0.000 1.237 37 Y HN 0.137 nan 8.280 nan 0.000 0.517 38 F N 2.038 121.896 119.950 -0.155 0.000 3.240 38 F HA 0.464 4.991 4.527 -0.000 0.000 0.370 38 F C -0.857 174.903 175.800 -0.066 0.000 1.271 38 F CA -1.395 56.580 58.000 -0.042 0.000 1.224 38 F CB 0.938 39.969 39.000 0.052 0.000 1.624 38 F HN -0.006 nan 8.300 nan 0.000 0.658 39 S N 5.861 121.335 115.700 -0.377 0.000 2.525 39 S HA 0.593 5.063 4.470 -0.000 0.000 0.278 39 S C 0.140 174.587 174.600 -0.256 0.000 1.234 39 S CA -0.540 57.514 58.200 -0.244 0.000 1.058 39 S CB 1.261 64.376 63.200 -0.141 0.000 0.983 39 S HN 0.754 nan 8.310 nan 0.000 0.495 40 L N 2.950 124.154 121.223 -0.032 0.000 2.766 40 L HA 0.263 4.603 4.340 -0.000 0.000 0.242 40 L C 2.714 179.679 176.870 0.159 0.000 1.136 40 L CA 0.412 55.312 54.840 0.101 0.000 0.933 40 L CB -1.173 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 1.725 120.469 118.700 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 -0.918 37.577 38.487 0.012 0.000 1.013 41 N HN 0.572 nan 8.380 nan 0.000 0.426 42 N N 0.508 119.181 118.700 -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 38.425 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 -0.824 175.257 176.600 -0.864 0.000 1.030 43 K CA -0.231 55.708 56.287 -0.580 0.000 1.099 43 K CB 0.217 32.307 32.500 -0.683 0.000 0.863 43 K HN 0.008 nan 8.250 nan 0.000 0.529 44 F N 2.996 122.941 119.950 -0.008 0.000 2.539 44 F HA 0.338 4.865 4.527 -0.000 0.000 0.328 44 F C 0.088 175.892 175.800 0.006 0.000 1.148 44 F CA -1.262 56.748 58.000 0.016 0.000 0.940 44 F CB 1.363 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 1.577 122.180 120.500 0.172 0.000 2.539 45 R HA 0.446 4.786 4.340 -0.000 0.000 0.275 45 R C -0.988 175.386 176.300 0.122 0.000 1.077 45 R CA -0.504 55.662 56.100 0.111 0.000 1.097 45 R CB 0.605 30.955 30.300 0.084 0.000 1.018 45 R HN 0.445 nan 8.270 nan 0.000 0.483 46 N N 3.530 122.276 118.700 0.076 0.000 2.524 46 N HA 0.277 5.017 4.740 -0.000 0.000 0.261 46 N C -2.441 173.105 175.510 0.059 0.000 0.998 46 N CA -1.452 51.634 53.050 0.061 0.000 0.915 46 N CB 1.820 40.312 38.487 0.009 0.000 1.187 46 N HN 0.542 nan 8.380 nan 0.000 0.507 47 P HA 0.130 nan 4.420 nan 0.000 0.272 47 P C -0.428 176.890 177.300 0.032 0.000 1.223 47 P CA -0.107 63.030 63.100 0.061 0.000 0.784 47 P CB 0.505 32.261 31.700 0.094 0.000 0.923 48 T N -1.356 113.201 114.554 0.005 0.000 2.906 48 T HA 0.496 4.846 4.350 -0.000 0.000 0.302 48 T C -0.581 174.108 174.700 -0.018 0.000 1.002 48 T CA -0.685 61.413 62.100 -0.003 0.000 0.988 48 T CB 0.316 69.178 68.868 -0.009 0.000 0.972 48 T HN 0.109 nan 8.240 nan 0.000 0.447 49 V N 2.832 122.744 119.914 -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 1.232 nan 8.190 nan 0.000 0.436 50 A N 7.101 129.914 122.820 -0.011 0.000 2.386 50 A HA 0.700 5.020 4.320 -0.000 0.000 0.248 50 A C -2.015 175.565 177.584 -0.007 0.000 1.082 50 A CA -0.934 51.099 52.037 -0.005 0.000 0.789 50 A CB -0.289 18.709 19.000 -0.004 0.000 1.025 50 A HN 0.711 nan 8.150 nan 0.000 0.490 51 P HA 0.235 nan 4.420 nan 0.000 0.275 51 P C 0.565 177.829 177.300 -0.059 0.000 1.228 51 P CA 0.053 63.109 63.100 -0.075 0.000 0.786 51 P CB 0.733 32.368 31.700 -0.107 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 0.363 175.112 174.700 0.081 0.000 1.038 52 T CA 0.062 62.178 62.100 0.028 0.000 0.962 52 T CB -0.657 68.280 68.868 0.114 0.000 1.018 52 T HN 0.721 nan 8.240 nan 0.000 0.521 53 H N -1.914 117.188 119.070 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 0.535 30.322 29.762 0.042 0.000 1.850 53 H HN -0.127 nan 8.280 nan 0.000 0.549 54 D N 0.422 120.945 120.400 0.204 0.000 2.870 54 D HA -0.149 4.491 4.640 -0.000 0.000 0.228 54 D C 0.227 176.598 176.300 0.118 0.000 1.147 54 D CA 1.132 55.228 54.000 0.161 0.000 0.757 54 D CB -1.412 39.509 40.800 0.202 0.000 1.091 54 D HN 0.371 nan 8.370 nan 0.000 0.429 55 V N -1.311 118.678 119.914 0.124 0.000 3.161 55 V HA 0.094 4.214 4.120 -0.000 0.000 0.221 55 V C 1.096 177.345 176.094 0.259 0.000 1.296 55 V CA 1.217 63.627 62.300 0.183 0.000 1.306 55 V CB 1.037 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 1.014 115.653 114.554 0.142 0.000 2.932 56 T HA 0.496 4.846 4.350 -0.000 0.000 0.289 56 T C -0.159 174.566 174.700 0.042 0.000 1.039 56 T CA -0.219 61.923 62.100 0.071 0.000 1.024 56 T CB 1.811 70.667 68.868 -0.019 0.000 1.090 56 T HN 0.385 nan 8.240 nan 0.000 0.496 57 T N 1.064 115.620 114.554 0.004 0.000 2.882 57 T HA 0.270 4.620 4.350 -0.000 0.000 0.287 57 T C 0.321 174.978 174.700 -0.072 0.000 1.014 57 T CA -0.690 61.366 62.100 -0.073 0.000 1.049 57 T CB 0.746 69.531 68.868 -0.138 0.000 1.001 57 T HN 0.442 nan 8.240 nan 0.000 0.525 58 D N -0.005 120.334 120.400 -0.102 0.000 2.423 58 D HA 0.116 4.756 4.640 -0.000 0.000 0.208 58 D C 0.673 176.927 176.300 -0.076 0.000 1.068 58 D CA 0.165 54.125 54.000 -0.066 0.000 0.860 58 D CB 0.390 41.161 40.800 -0.050 0.000 0.992 58 D HN 0.364 nan 8.370 nan 0.000 0.504 59 R N 0.328 120.749 120.500 -0.131 0.000 2.637 59 R HA 0.307 4.647 4.340 -0.000 0.000 0.269 59 R C 0.461 176.729 176.300 -0.054 0.000 1.089 59 R CA -0.195 55.841 56.100 -0.107 0.000 1.177 59 R CB 0.471 30.665 30.300 -0.177 0.000 1.091 59 R HN -0.199 nan 8.270 nan 0.000 0.540 60 S N 0.854 116.540 115.700 -0.024 0.000 2.533 60 S HA 0.062 4.532 4.470 -0.000 0.000 0.282 60 S C -0.636 173.966 174.600 0.004 0.000 1.304 60 S CA 0.033 58.228 58.200 -0.009 0.000 1.063 60 S CB 0.119 63.317 63.200 -0.005 0.000 0.881 60 S HN 0.464 nan 8.310 nan 0.000 0.493 61 Q N 3.218 123.017 119.800 -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 3.022 123.503 120.500 -0.032 0.000 2.539 62 R HA 0.251 4.591 4.340 -0.000 0.000 0.275 62 R C 0.729 177.046 176.300 0.027 0.000 1.077 62 R CA 0.117 56.210 56.100 -0.012 0.000 1.097 62 R CB 0.617 30.896 30.300 -0.035 0.000 1.018 62 R HN 0.729 nan 8.270 nan 0.000 0.483 63 L N 0.443 121.709 121.223 0.071 0.000 2.202 63 L HA 0.060 4.400 4.340 -0.000 0.000 0.205 63 L C 0.674 177.684 176.870 0.233 0.000 1.083 63 L CA 1.041 55.961 54.840 0.133 0.000 0.790 63 L CB 0.042 42.154 42.059 0.089 0.000 0.942 63 L HN 0.486 nan 8.230 nan 0.000 0.452 64 T N 1.404 116.069 114.554 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 71.186 68.868 0.234 0.000 0.960 64 T HN -0.092 nan 8.240 nan 0.000 0.441 65 L N 3.092 124.390 121.223 0.125 0.000 2.342 65 L HA 0.726 5.066 4.340 -0.000 0.000 0.271 65 L C 0.132 176.758 176.870 -0.407 0.000 1.008 65 L CA -1.194 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 1.405 121.502 120.500 -0.673 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 55.103 56.100 -0.849 0.000 0.879 66 R CB 1.445 31.118 30.300 -1.045 0.000 1.178 66 R HN 0.300 nan 8.270 nan 0.000 0.445 67 F N 3.520 123.335 119.950 -0.226 0.000 2.469 67 F HA 0.464 4.991 4.527 -0.000 0.000 0.332 67 F C 0.159 176.058 175.800 0.165 0.000 1.103 67 F CA -1.212 56.793 58.000 0.009 0.000 0.979 67 F CB 1.447 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 0.366 0.000 2.488 68 I HA 0.333 4.503 4.170 -0.000 0.000 0.299 68 I C -2.168 174.131 176.117 0.304 0.000 0.984 68 I CA -3.555 57.924 61.300 0.298 0.000 1.250 68 I CB 0.799 38.881 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 0.850 178.054 177.300 -0.160 0.000 1.216 69 P CA -0.033 62.839 63.100 -0.380 0.000 0.771 69 P CB 1.162 32.550 31.700 -0.520 0.000 0.864 70 V N 1.503 121.315 119.914 -0.169 0.000 2.649 70 V HA -0.040 4.080 4.120 -0.000 0.000 0.248 70 V C 0.548 176.584 176.094 -0.095 0.000 1.054 70 V CA 1.796 64.053 62.300 -0.072 0.000 1.073 70 V CB -0.516 31.293 31.823 -0.023 0.000 0.699 70 V HN 0.660 nan 8.190 nan 0.000 0.463 71 D N -1.250 119.056 120.400 -0.156 0.000 2.977 71 D HA 0.582 5.222 4.640 -0.000 0.000 0.220 71 D C -0.422 175.766 176.300 -0.186 0.000 1.267 71 D CA -0.081 53.834 54.000 -0.142 0.000 0.884 71 D CB 1.400 42.132 40.800 -0.113 0.000 1.667 71 D HN 0.178 nan 8.370 nan 0.000 0.536 72 R N 2.017 122.414 120.500 -0.171 0.000 2.744 72 R HA 0.844 5.184 4.340 -0.000 0.000 0.279 72 R C -0.795 175.339 176.300 -0.277 0.000 0.977 72 R CA -0.826 55.143 56.100 -0.218 0.000 0.906 72 R CB 1.198 31.404 30.300 -0.156 0.000 1.197 72 R HN 0.577 nan 8.270 nan 0.000 0.463 73 E N 1.815 121.764 120.200 -0.420 0.000 2.502 73 E HA 0.145 4.495 4.350 -0.000 0.000 0.261 73 E C -1.660 174.609 176.600 -0.552 0.000 0.974 73 E CA -0.873 55.295 56.400 -0.386 0.000 0.795 73 E CB 1.831 31.380 29.700 -0.253 0.000 1.385 73 E HN 0.629 nan 8.360 nan 0.000 0.400 74 D N 2.332 122.404 120.400 -0.546 0.000 2.344 74 D HA 0.140 4.780 4.640 -0.000 0.000 0.253 74 D C -0.447 175.735 176.300 -0.198 0.000 1.255 74 D CA 0.485 54.232 54.000 -0.421 0.000 0.894 74 D CB 0.932 41.613 40.800 -0.197 0.000 1.067 74 D HN 0.155 nan 8.370 nan 0.000 0.492 75 T N 1.513 115.971 114.554 -0.160 0.000 2.889 75 T HA 0.528 4.878 4.350 -0.000 0.000 0.278 75 T C 1.418 176.029 174.700 -0.148 0.000 0.995 75 T CA -0.031 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 1.449 178.997 177.584 -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 18.051 19.000 -0.122 0.000 0.826 76 A HN 0.932 nan 8.150 nan 0.000 0.447 77 Y N -1.771 118.531 120.300 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 -0.444 57.708 58.100 0.086 0.000 1.203 77 Y CB -0.469 37.995 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 0.062 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 2.290 65.663 63.200 0.288 0.000 1.146 78 S HN 0.246 nan 8.310 nan 0.000 0.475 79 Y N 0.378 120.820 120.300 0.237 0.000 2.386 79 Y HA 0.670 5.220 4.550 -0.000 0.000 0.334 79 Y C -0.809 175.202 175.900 0.184 0.000 1.002 79 Y CA -0.491 57.719 58.100 0.184 0.000 1.068 79 Y CB 1.884 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 3.942 124.366 120.400 0.040 0.000 2.274 80 K HA 0.893 5.213 4.320 -0.000 0.000 0.262 80 K C -1.622 174.997 176.600 0.031 0.000 0.961 80 K CA -0.562 55.750 56.287 0.042 0.000 0.833 80 K CB 1.192 33.627 32.500 -0.108 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 -0.212 0.000 1.092 81 A CA -0.798 51.199 52.037 -0.066 0.000 0.751 81 A CB 1.082 20.097 19.000 0.025 0.000 1.203 81 A HN 0.785 nan 8.150 nan 0.000 0.452 82 R N 2.290 122.536 120.500 -0.423 0.000 2.437 82 R HA 0.714 5.054 4.340 -0.000 0.000 0.310 82 R C -1.783 174.240 176.300 -0.462 0.000 0.955 82 R CA -0.313 55.620 56.100 -0.278 0.000 0.851 82 R CB 0.810 31.034 30.300 -0.126 0.000 1.161 82 R HN 0.593 nan 8.270 nan 0.000 0.446 83 F N 0.235 120.257 119.950 0.119 0.000 2.611 83 F HA 0.402 4.929 4.527 -0.000 0.000 0.324 83 F C 0.254 176.116 175.800 0.102 0.000 1.061 83 F CA -0.929 57.148 58.000 0.128 0.000 0.954 83 F CB 2.402 41.501 39.000 0.165 0.000 1.301 83 F HN 0.246 nan 8.300 nan 0.000 0.482 84 T N 3.232 117.948 114.554 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 68.917 68.868 0.129 0.000 1.127 84 T HN 0.352 nan 8.240 nan 0.000 0.576 85 L N 4.152 125.312 121.223 -0.105 0.000 2.485 85 L HA 0.571 4.911 4.340 -0.000 0.000 0.279 85 L C 0.109 176.920 176.870 -0.099 0.000 1.124 85 L CA -0.305 54.284 54.840 -0.419 0.000 0.888 85 L CB -0.797 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 5.517 128.274 122.820 -0.106 0.000 2.271 86 A HA 0.675 4.995 4.320 -0.000 0.000 0.317 86 A C -0.791 176.979 177.584 0.309 0.000 1.245 86 A CA -0.597 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 3.566 123.666 119.914 0.310 0.000 2.294 87 V HA 0.474 4.594 4.120 -0.000 0.000 0.272 87 V C 1.170 177.372 176.094 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 32.795 31.823 0.402 0.000 1.030 87 V HN 1.081 nan 8.190 nan 0.000 0.457 88 G N 3.217 112.066 108.800 0.081 0.000 2.636 88 G HA2 0.141 4.101 3.960 -0.000 0.000 0.246 88 G HA3 0.141 4.101 3.960 -0.000 0.000 0.246 88 G C -0.148 174.751 174.900 -0.003 0.000 1.216 88 G CA -0.447 44.657 45.100 0.006 0.000 0.854 88 G HN 0.643 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 0.443 176.656 176.300 -0.146 0.000 1.136 89 D CA 0.497 54.465 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 1.475 120.094 118.700 -0.136 0.000 2.818 90 N HA -0.187 4.553 4.740 -0.000 0.000 0.250 90 N C -0.573 174.842 175.510 -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 -0.458 120.034 120.500 -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 55.295 56.100 0.116 0.000 0.900 91 R CB 2.493 32.854 30.300 0.102 0.000 1.223 91 R HN -0.003 nan 8.270 nan 0.000 0.466 92 V N -0.460 119.612 119.914 0.264 0.000 2.841 92 V HA 0.711 4.831 4.120 -0.000 0.000 0.310 92 V C -1.351 174.848 176.094 0.176 0.000 1.090 92 V CA -1.050 61.362 62.300 0.186 0.000 0.930 92 V CB 1.957 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 2.592 123.824 121.223 0.014 0.000 2.381 93 L HA 0.700 5.040 4.340 -0.000 0.000 0.274 93 L C -0.714 176.039 176.870 -0.194 0.000 0.988 93 L CA 0.054 54.754 54.840 -0.233 0.000 0.824 93 L CB 1.669 43.493 42.059 -0.392 0.000 1.263 93 L HN 0.921 nan 8.230 nan 0.000 0.410 94 D N 5.499 125.790 120.400 -0.182 0.000 2.380 94 D HA 0.123 4.763 4.640 -0.000 0.000 0.230 94 D C 1.222 177.422 176.300 -0.167 0.000 1.154 94 D CA -0.316 53.608 54.000 -0.127 0.000 0.859 94 D CB 1.029 41.795 40.800 -0.057 0.000 1.045 94 D HN 0.582 nan 8.370 nan 0.000 0.495 95 M N 2.830 122.311 119.600 -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 0.930 56.088 55.300 -0.237 0.000 1.082 95 M CB -1.205 31.223 32.600 -0.287 0.000 1.373 95 M HN 0.513 nan 8.290 nan 0.000 0.408 96 A N -0.017 122.733 122.820 -0.116 0.000 2.076 96 A HA -0.104 4.216 4.320 -0.000 0.000 0.220 96 A C 2.186 179.775 177.584 0.008 0.000 1.160 96 A CA 1.880 53.881 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 -0.366 115.333 115.700 -0.002 0.000 2.634 97 S HA 0.157 4.627 4.470 -0.000 0.000 0.221 97 S C 0.654 175.317 174.600 0.105 0.000 0.952 97 S CA 0.411 58.660 58.200 0.081 0.000 0.930 97 S CB -1.007 62.226 63.200 0.054 0.000 0.780 97 S HN 0.640 nan 8.310 nan 0.000 0.498 98 T N -0.304 114.261 114.554 0.018 0.000 2.945 98 T HA 0.739 5.089 4.350 -0.000 0.000 0.286 98 T C -0.746 173.984 174.700 0.051 0.000 1.025 98 T CA -0.814 61.249 62.100 -0.061 0.000 1.039 98 T CB 1.219 69.945 68.868 -0.237 0.000 1.068 98 T HN 0.701 nan 8.240 nan 0.000 0.497 99 Y N -1.455 118.757 120.300 -0.146 0.000 2.620 99 Y HA 0.645 5.195 4.550 -0.000 0.000 0.331 99 Y C -2.228 173.558 175.900 -0.190 0.000 1.173 99 Y CA -2.366 55.641 58.100 -0.154 0.000 1.076 99 Y CB 0.522 39.112 38.460 0.217 0.000 1.336 99 Y HN 0.546 nan 8.280 nan 0.000 0.459 100 F N 1.969 122.058 119.950 0.231 0.000 2.404 100 F HA 0.340 4.867 4.527 -0.000 0.000 0.358 100 F C 0.119 176.034 175.800 0.192 0.000 1.120 100 F CA -0.479 57.586 58.000 0.108 0.000 1.144 100 F CB 0.915 39.967 39.000 0.086 0.000 1.133 100 F HN 0.565 nan 8.300 nan 0.000 0.495 101 D N 4.377 125.012 120.400 0.392 0.000 2.316 101 D HA 0.455 5.095 4.640 -0.000 0.000 0.245 101 D C -0.629 175.807 176.300 0.227 0.000 1.171 101 D CA 0.119 54.346 54.000 0.379 0.000 0.856 101 D CB 0.499 41.611 40.800 0.520 0.000 1.090 101 D HN 0.334 nan 8.370 nan 0.000 0.476 102 I N 3.700 124.364 120.570 0.157 0.000 2.509 102 I HA 0.480 4.650 4.170 -0.000 0.000 0.293 102 I C 0.058 176.215 176.117 0.067 0.000 1.020 102 I CA -0.916 60.396 61.300 0.021 0.000 1.088 102 I CB 1.848 39.767 38.000 -0.134 0.000 1.267 102 I HN 0.152 nan 8.210 nan 0.000 0.430 103 R N 3.701 124.132 120.500 -0.115 0.000 2.621 103 R HA 0.844 5.184 4.340 -0.000 0.000 0.292 103 R C -0.386 175.650 176.300 -0.441 0.000 0.969 103 R CA -0.798 55.120 56.100 -0.304 0.000 0.887 103 R CB 2.427 32.535 30.300 -0.319 0.000 1.180 103 R HN 0.887 nan 8.270 nan 0.000 0.450 104 G N 0.651 108.890 108.800 -0.934 0.000 2.561 104 G HA2 0.459 4.419 3.960 -0.000 0.000 0.310 104 G HA3 0.459 4.419 3.960 -0.000 0.000 0.310 104 G C -1.750 172.637 174.900 -0.856 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 -0.312 0.000 2.680 105 V HA 0.795 4.915 4.120 -0.000 0.000 0.309 105 V C -0.721 175.536 176.094 0.271 0.000 1.052 105 V CA -0.688 61.606 62.300 -0.011 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 2.818 124.233 121.223 0.320 0.000 2.431 106 L HA 0.806 5.146 4.340 -0.000 0.000 0.266 106 L C -1.372 175.551 176.870 0.087 0.000 0.978 106 L CA -0.090 54.867 54.840 0.194 0.000 0.822 106 L CB 2.190 44.319 42.059 0.116 0.000 1.310 106 L HN 0.678 nan 8.230 nan 0.000 0.409 107 D N 2.972 123.390 120.400 0.030 0.000 2.453 107 D HA 0.348 4.988 4.640 -0.000 0.000 0.238 107 D C 0.585 176.814 176.300 -0.118 0.000 1.088 107 D CA -0.383 53.630 54.000 0.022 0.000 0.854 107 D CB 1.503 42.386 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 0.651 56.571 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 0.080 108.787 108.800 -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 -2.101 172.724 174.900 -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 2.236 65.252 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 -4.280 110.087 114.554 -0.312 0.000 3.148 111 T HA 0.020 4.370 4.350 -0.000 0.000 0.253 111 T C 0.302 174.645 174.700 -0.595 0.000 1.134 111 T CA -0.480 61.217 62.100 -0.671 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 2.594 122.277 119.950 -0.444 0.000 2.472 112 F HA 0.498 5.025 4.527 -0.000 0.000 0.364 112 F C 0.245 175.810 175.800 -0.393 0.000 1.090 112 F CA -1.083 56.699 58.000 -0.363 0.000 1.188 112 F CB 0.570 39.411 39.000 -0.265 0.000 1.105 112 F HN -0.005 nan 8.300 nan 0.000 0.536 113 K N 9.056 128.808 120.400 -1.080 0.000 2.803 113 K HA 0.311 4.631 4.320 -0.000 0.000 0.229 113 K C -2.624 173.211 176.600 -1.275 0.000 1.084 113 K CA -1.745 53.850 56.287 -1.153 0.000 1.063 113 K CB 1.316 33.318 32.500 -0.830 0.000 1.254 113 K HN 0.266 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 -0.263 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 -1.064 174.708 175.900 -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 0.898 116.675 115.700 0.129 0.000 2.608 116 S HA 0.789 5.259 4.470 -0.000 0.000 0.291 116 S C 0.329 175.042 174.600 0.188 0.000 1.146 116 S CA 0.116 58.338 58.200 0.037 0.000 1.043 116 S CB 1.036 64.237 63.200 0.000 0.000 1.037 116 S HN 1.829 nan 8.310 nan 0.000 0.520 117 G N 1.942 110.816 108.800 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 -0.290 44.912 45.100 0.170 0.000 0.880 117 G HN 0.919 nan 8.290 nan 0.000 0.566 118 T N -0.832 113.752 114.554 0.050 0.000 2.940 118 T HA 0.770 5.120 4.350 -0.000 0.000 0.288 118 T C 1.087 175.653 174.700 -0.223 0.000 1.045 118 T CA 0.451 62.498 62.100 -0.088 0.000 1.018 118 T CB 1.938 70.557 68.868 -0.416 0.000 1.151 118 T HN 1.904 nan 8.240 nan 0.000 0.529 119 A N -0.215 122.351 122.820 -0.424 0.000 2.343 119 A HA 0.411 4.731 4.320 -0.000 0.000 0.223 119 A C -0.509 176.562 177.584 -0.854 0.000 1.214 119 A CA 0.127 51.712 52.037 -0.753 0.000 0.900 119 A CB -0.089 18.279 19.000 -1.054 0.000 0.942 119 A HN 0.725 nan 8.150 nan 0.000 0.507 120 Y N 0.329 120.545 120.300 -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 -1.806 56.238 58.100 -0.093 0.000 1.130 120 Y CB 0.723 39.170 38.460 -0.022 0.000 1.164 120 Y HN 0.243 nan 8.280 nan 0.000 0.458 121 N N 0.956 119.703 118.700 0.079 0.000 2.714 121 N HA -0.227 4.513 4.740 -0.000 0.000 0.253 121 N C 0.906 176.452 175.510 0.060 0.000 1.024 121 N CA 0.799 53.894 53.050 0.075 0.000 0.726 121 N CB -0.715 37.840 38.487 0.114 0.000 0.908 121 N HN 0.914 nan 8.380 nan 0.000 0.542 122 A N -0.241 122.591 122.820 0.021 0.000 2.019 122 A HA -0.043 4.277 4.320 -0.000 0.000 0.219 122 A C 2.179 179.915 177.584 0.254 0.000 1.164 122 A CA 1.052 53.161 52.037 0.121 0.000 0.644 122 A CB -0.093 18.936 19.000 0.049 0.000 0.805 122 A HN 0.439 nan 8.150 nan 0.000 0.449 123 L N -0.786 120.535 121.223 0.164 0.000 2.492 123 L HA 0.144 4.484 4.340 -0.000 0.000 0.223 123 L C 1.414 178.373 176.870 0.147 0.000 1.132 123 L CA 0.030 54.953 54.840 0.138 0.000 0.850 123 L CB -0.469 41.645 42.059 0.093 0.000 0.966 123 L HN 0.353 nan 8.230 nan 0.000 0.454 124 A N 1.147 124.086 122.820 0.199 0.000 2.440 124 A HA 0.372 4.692 4.320 -0.000 0.000 0.251 124 A C -2.127 175.542 177.584 0.141 0.000 1.089 124 A CA -1.145 50.997 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 0.265 177.539 177.300 -0.043 0.000 1.193 125 P CA 0.100 63.198 63.100 -0.003 0.000 0.765 125 P CB 0.406 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 1.705 178.249 176.600 -0.094 0.000 1.045 126 K CA 1.558 57.688 56.287 -0.262 0.000 0.937 126 K CB -0.415 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 -0.020 45.067 45.100 -0.022 0.000 0.806 127 G HN 0.260 nan 8.290 nan 0.000 0.538 128 A N 1.518 124.356 122.820 0.030 0.000 2.511 128 A HA 0.568 4.888 4.320 -0.000 0.000 0.242 128 A C -2.209 175.423 177.584 0.080 0.000 1.069 128 A CA -0.428 51.649 52.037 0.066 0.000 0.763 128 A CB 0.328 19.382 19.000 0.090 0.000 1.001 128 A HN 0.210 nan 8.150 nan 0.000 0.498 129 P HA 0.311 nan 4.420 nan 0.000 0.287 129 P C -0.801 176.591 177.300 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 1.007 119.784 118.700 0.129 0.000 2.503 130 N HA 0.211 4.951 4.740 -0.000 0.000 0.267 130 N C -2.208 173.406 175.510 0.174 0.000 1.214 130 N CA -1.190 51.937 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 0.037 nan 4.420 nan 0.000 0.261 131 P C -0.179 177.227 177.300 0.176 0.000 1.203 131 P CA -0.114 63.081 63.100 0.158 0.000 0.767 131 P CB -0.036 31.703 31.700 0.064 0.000 0.785 132 C N 1.960 121.421 119.300 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 1.646 29.536 27.740 0.250 0.000 2.063 132 C HN 0.495 nan 8.230 nan 0.000 0.454 133 E N -0.705 119.702 120.200 0.344 0.000 2.331 133 E HA 0.615 4.965 4.350 -0.000 0.000 0.275 133 E C -1.706 175.149 176.600 0.426 0.000 0.895 133 E CA -0.165 56.418 56.400 0.305 0.000 0.753 133 E CB 2.312 32.099 29.700 0.144 0.000 1.216 133 E HN 0.865 nan 8.360 nan 0.000 0.434 134 W N 0.926 122.292 121.300 0.110 0.000 2.988 134 W HA 0.586 5.246 4.660 -0.000 0.000 0.355 134 W C -1.336 175.252 176.519 0.116 0.000 1.233 134 W CA -0.640 56.753 57.345 0.079 0.000 1.176 134 W CB 0.487 29.965 29.460 0.029 0.000 1.477 134 W HN 0.180 nan 8.180 nan 0.000 0.582 166 H N 0.472 119.168 119.070 -0.624 0.000 2.496 166 H HA 0.851 5.407 4.556 -0.000 0.000 0.342 166 H C -0.171 174.783 175.328 -0.623 0.000 1.170 166 H CA -0.751 54.829 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 2.070 121.837 119.914 -0.245 0.000 2.789 167 V HA 0.320 4.440 4.120 -0.000 0.000 0.311 167 V C -1.410 174.761 176.094 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 4.060 124.079 119.950 0.115 0.000 2.716 168 F HA 0.822 5.349 4.527 -0.000 0.000 0.354 168 F C 0.148 175.994 175.800 0.077 0.000 1.168 168 F CA 0.074 58.167 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 3.738 112.285 108.800 -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 -0.718 44.207 45.100 -0.293 0.000 0.795 169 G HN 0.554 nan 8.290 nan 0.000 0.528 170 Q N -1.298 118.392 119.800 -0.183 0.000 2.340 170 Q HA 0.606 4.946 4.340 -0.000 0.000 0.276 170 Q C -1.680 174.281 176.000 -0.064 0.000 1.048 170 Q CA -0.919 54.806 55.803 -0.130 0.000 0.832 170 Q CB 2.255 30.942 28.738 -0.085 0.000 1.373 170 Q HN 1.054 nan 8.270 nan 0.000 0.409 171 A N 4.105 126.898 122.820 -0.044 0.000 2.586 171 A HA 0.510 4.830 4.320 -0.000 0.000 0.320 171 A C -2.359 175.244 177.584 0.030 0.000 1.281 171 A CA -1.140 50.904 52.037 0.011 0.000 0.775 171 A CB 0.741 19.746 19.000 0.008 0.000 1.122 171 A HN 0.678 nan 8.150 nan 0.000 0.470 172 P HA 0.034 nan 4.420 nan 0.000 0.245 172 P C -0.041 177.299 177.300 0.067 0.000 1.199 172 P CA 0.420 63.549 63.100 0.049 0.000 0.807 172 P CB 0.048 31.779 31.700 0.053 0.000 1.002 173 Y N 1.686 121.990 120.300 0.007 0.000 2.359 173 Y HA 0.376 4.926 4.550 -0.000 0.000 0.334 173 Y C 0.329 176.244 175.900 0.025 0.000 1.058 173 Y CA -0.561 57.545 58.100 0.010 0.000 1.244 173 Y CB 0.669 39.130 38.460 0.001 0.000 1.187 173 Y HN -0.214 nan 8.280 nan 0.000 0.510 174 S N 5.428 120.778 115.700 -0.584 0.000 2.420 174 S HA 0.670 5.140 4.470 -0.000 0.000 0.313 174 S C 0.119 174.472 174.600 -0.411 0.000 1.079 174 S CA -0.178 57.829 58.200 -0.322 0.000 1.104 174 S CB -0.296 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 3.480 112.335 108.800 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 0.296 120.916 120.570 0.085 0.000 2.339 176 I HA 0.163 4.333 4.170 -0.000 0.000 0.245 176 I C 1.573 177.506 176.117 -0.307 0.000 1.096 176 I CA 1.529 62.811 61.300 -0.030 0.000 1.408 176 I CB -0.152 37.836 38.000 -0.021 0.000 1.092 176 I HN 0.682 nan 8.210 nan 0.000 0.423 177 N N 0.171 118.666 118.700 -0.341 0.000 3.043 177 N HA 0.591 5.331 4.740 -0.000 0.000 0.243 177 N C -1.128 174.294 175.510 -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 1.650 122.237 120.570 0.029 0.000 2.354 178 I HA 0.666 4.836 4.170 -0.000 0.000 0.286 178 I C 1.128 177.324 176.117 0.132 0.000 1.007 178 I CA -0.334 61.082 61.300 0.194 0.000 1.167 178 I CB 1.147 39.348 38.000 0.335 0.000 1.320 178 I HN 0.988 nan 8.210 nan 0.000 0.458 179 T N 2.854 117.475 114.554 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 0.018 0.000 0.989 179 T CB 0.475 69.347 68.868 0.007 0.000 1.396 179 T HN 0.483 nan 8.240 nan 0.000 0.597 180 K N 0.107 120.432 120.400 -0.124 0.000 2.459 180 K HA 0.164 4.484 4.320 -0.000 0.000 0.193 180 K C 1.505 178.108 176.600 0.004 0.000 1.030 180 K CA 1.285 57.440 56.287 -0.219 0.000 1.026 180 K CB -0.400 31.973 32.500 -0.211 0.000 0.809 180 K HN 0.744 nan 8.250 nan 0.000 0.504 181 E N -0.794 119.446 120.200 0.066 0.000 2.479 181 E HA 0.279 4.629 4.350 -0.000 0.000 0.193 181 E C 0.776 177.479 176.600 0.171 0.000 1.049 181 E CA 0.142 56.602 56.400 0.100 0.000 0.870 181 E CB 0.275 30.008 29.700 0.055 0.000 0.944 181 E HN 0.630 nan 8.360 nan 0.000 0.492 182 G N 1.771 110.735 108.800 0.273 0.000 2.384 182 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.200 182 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.200 182 G C -0.913 174.132 174.900 0.241 0.000 1.205 182 G CA -0.476 44.781 45.100 0.262 0.000 1.116 182 G HN 0.175 nan 8.290 nan 0.000 0.547 183 I N 1.374 122.080 120.570 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 7.278 127.122 119.800 0.074 0.000 2.314 184 Q HA 0.257 4.597 4.340 -0.000 0.000 0.258 184 Q C 0.163 176.205 176.000 0.070 0.000 0.954 184 Q CA -0.098 55.730 55.803 0.042 0.000 0.890 184 Q CB 0.943 29.687 28.738 0.011 0.000 1.210 184 Q HN 0.823 nan 8.270 nan 0.000 0.410 185 I N 0.185 120.781 120.570 0.044 0.000 4.225 185 I HA 0.600 4.770 4.170 -0.000 0.000 0.327 185 I C 0.283 176.441 176.117 0.069 0.000 1.422 185 I CA -0.364 60.988 61.300 0.087 0.000 1.150 185 I CB 0.886 38.885 38.000 -0.002 0.000 1.192 185 I HN 0.567 nan 8.210 nan 0.000 0.440 194 Y N -0.115 120.181 120.300 -0.006 0.000 2.326 194 Y HA 0.830 5.380 4.550 -0.000 0.000 0.324 194 Y C 1.022 176.884 175.900 -0.063 0.000 1.291 194 Y CA -1.317 56.777 58.100 -0.010 0.000 1.348 194 Y CB 0.496 38.969 38.460 0.023 0.000 1.294 194 Y HN 1.423 nan 8.280 nan 0.000 0.525 195 A N 1.483 124.240 122.820 -0.105 0.000 2.371 195 A HA 0.411 4.731 4.320 -0.000 0.000 0.257 195 A C 0.040 177.467 177.584 -0.261 0.000 1.089 195 A CA 0.054 51.935 52.037 -0.259 0.000 0.794 195 A CB -0.034 18.719 19.000 -0.411 0.000 1.029 195 A HN 0.890 nan 8.150 nan 0.000 0.488 196 D N 2.426 122.587 120.400 -0.398 0.000 2.374 196 D HA 0.319 4.959 4.640 -0.000 0.000 0.240 196 D C 1.511 177.563 176.300 -0.414 0.000 1.229 196 D CA 0.555 54.359 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 2.375 122.645 120.400 -0.217 0.000 2.173 197 K HA -0.235 4.085 4.320 -0.000 0.000 0.207 197 K C 1.857 178.384 176.600 -0.121 0.000 1.046 197 K CA 2.366 58.559 56.287 -0.158 0.000 0.929 197 K CB -1.669 30.896 32.500 0.108 0.000 0.720 197 K HN 0.715 nan 8.250 nan 0.000 0.453 198 T N -2.067 112.468 114.554 -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 63.754 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 1.040 nan 8.240 nan 0.000 0.481 199 F N -0.617 119.261 119.950 -0.120 0.000 2.964 199 F HA 0.515 5.042 4.527 -0.000 0.000 0.371 199 F C 0.077 175.763 175.800 -0.191 0.000 1.026 199 F CA -1.169 56.756 58.000 -0.125 0.000 1.106 199 F CB 0.275 39.224 39.000 -0.085 0.000 1.135 199 F HN 0.010 nan 8.300 nan 0.000 0.557 200 Q N 3.897 123.148 119.800 -0.915 0.000 2.256 200 Q HA 0.476 4.816 4.340 -0.000 0.000 0.257 200 Q C -2.637 172.814 176.000 -0.915 0.000 0.936 200 Q CA -2.238 53.046 55.803 -0.865 0.000 0.903 200 Q CB 1.824 29.969 28.738 -0.989 0.000 1.263 200 Q HN -0.001 nan 8.270 nan 0.000 0.440 201 P HA 0.077 nan 4.420 nan 0.000 0.278 201 P C -0.979 176.172 177.300 -0.249 0.000 1.258 201 P CA -0.461 62.339 63.100 -0.499 0.000 0.811 201 P CB 0.755 32.203 31.700 -0.421 0.000 1.063 202 E N 1.681 121.811 120.200 -0.117 0.000 2.167 202 E HA 0.149 4.499 4.350 -0.000 0.000 0.284 202 E C -1.602 175.016 176.600 0.031 0.000 1.016 202 E CA -1.764 54.639 56.400 0.005 0.000 0.817 202 E CB 0.429 30.177 29.700 0.079 0.000 1.080 202 E HN 0.318 nan 8.360 nan 0.000 0.397 203 P HA -0.258 nan 4.420 nan 0.000 0.218 203 P C 0.862 178.197 177.300 0.059 0.000 1.146 203 P CA 1.438 64.565 63.100 0.046 0.000 0.813 203 P CB 0.173 31.899 31.700 0.043 0.000 0.778 204 Q N -0.776 119.062 119.800 0.062 0.000 2.224 204 Q HA -0.016 4.324 4.340 -0.000 0.000 0.203 204 Q C 0.956 176.998 176.000 0.070 0.000 0.970 204 Q CA 0.630 56.472 55.803 0.065 0.000 0.865 204 Q CB -0.500 28.276 28.738 0.064 0.000 0.922 204 Q HN 0.276 nan 8.270 nan 0.000 0.445 205 I N 1.389 122.011 120.570 0.087 0.000 2.395 205 I HA 0.454 4.624 4.170 -0.000 0.000 0.289 205 I C 0.431 176.609 176.117 0.102 0.000 1.023 205 I CA -0.248 61.116 61.300 0.106 0.000 1.350 205 I CB 0.997 39.094 38.000 0.161 0.000 1.409 205 I HN 0.148 nan 8.210 nan 0.000 0.507 206 G N 3.428 112.262 108.800 0.057 0.000 2.827 206 G HA2 0.605 4.565 3.960 -0.000 0.000 0.296 206 G HA3 0.605 4.565 3.960 -0.000 0.000 0.296 206 G C -0.897 173.985 174.900 -0.030 0.000 1.362 206 G CA -0.310 44.801 45.100 0.019 0.000 0.809 206 G HN 0.674 nan 8.290 nan 0.000 0.522 207 E N -1.100 119.067 120.200 -0.054 0.000 2.343 207 E HA 0.595 4.945 4.350 -0.000 0.000 0.269 207 E C 1.304 177.864 176.600 -0.067 0.000 1.047 207 E CA 0.437 56.786 56.400 -0.086 0.000 0.874 207 E CB 0.873 30.507 29.700 -0.110 0.000 1.033 207 E HN 1.336 nan 8.360 nan 0.000 0.409 208 S N 0.392 116.044 115.700 -0.081 0.000 2.395 208 S HA 0.300 4.770 4.470 -0.000 0.000 0.225 208 S C 1.689 176.237 174.600 -0.088 0.000 1.027 208 S CA 1.456 59.620 58.200 -0.060 0.000 0.965 208 S CB -0.367 62.804 63.200 -0.047 0.000 0.812 208 S HN 1.225 nan 8.310 nan 0.000 0.482 209 Q N 0.524 120.199 119.800 -0.209 0.000 2.471 209 Q HA 0.439 4.779 4.340 -0.000 0.000 0.223 209 Q C 0.728 176.565 176.000 -0.272 0.000 1.045 209 Q CA 0.247 55.810 55.803 -0.400 0.000 0.956 209 Q CB -0.568 27.628 28.738 -0.903 0.000 1.249 209 Q HN 1.011 nan 8.270 nan 0.000 0.549 210 W N -0.675 120.427 121.300 -0.330 0.000 3.058 210 W HA 0.230 4.890 4.660 -0.000 0.000 0.306 210 W C 0.133 176.609 176.519 -0.071 0.000 1.188 210 W CA 0.224 57.488 57.345 -0.134 0.000 1.651 210 W CB 0.064 29.509 29.460 -0.024 0.000 1.051 210 W HN 0.787 nan 8.180 nan 0.000 0.592 211 Y N 0.851 120.779 120.300 -0.619 0.000 2.565 211 Y HA 0.697 5.247 4.550 -0.000 0.000 0.325 211 Y C 0.325 176.071 175.900 -0.258 0.000 1.221 211 Y CA -1.836 55.921 58.100 -0.572 0.000 1.316 211 Y CB -0.667 37.168 38.460 -1.040 0.000 1.404 211 Y HN -0.066 nan 8.280 nan 0.000 0.527 212 E N -0.784 119.519 120.200 0.172 0.000 2.217 212 E HA 0.472 4.822 4.350 -0.000 0.000 0.279 212 E C 0.449 177.148 176.600 0.165 0.000 1.068 212 E CA 0.261 56.725 56.400 0.107 0.000 0.882 212 E CB -0.201 29.532 29.700 0.055 0.000 1.039 212 E HN 1.016 nan 8.360 nan 0.000 0.418 213 T N 0.054 114.652 114.554 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 63.988 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 0.033 176.619 176.600 -0.024 0.000 1.365 214 E CA 0.480 56.873 56.400 -0.013 0.000 1.205 214 E CB -2.904 26.790 29.700 -0.011 0.000 1.015 214 E HN 2.026 nan 8.360 nan 0.000 0.350 215 I N 2.044 122.594 120.570 -0.033 0.000 2.337 215 I HA 0.569 4.739 4.170 -0.000 0.000 0.291 215 I C 1.108 177.181 176.117 -0.073 0.000 1.046 215 I CA 0.101 61.377 61.300 -0.041 0.000 1.324 215 I CB 0.797 38.775 38.000 -0.037 0.000 1.409 215 I HN 0.670 nan 8.210 nan 0.000 0.494 216 N N 2.224 120.850 118.700 -0.124 0.000 2.432 216 N HA 0.023 4.763 4.740 -0.000 0.000 0.174 216 N C -0.186 175.002 175.510 -0.538 0.000 1.037 216 N CA 0.789 53.643 53.050 -0.328 0.000 0.892 216 N CB 0.350 38.601 38.487 -0.393 0.000 1.049 216 N HN 0.914 nan 8.380 nan 0.000 0.442 217 H N 0.262 119.360 119.070 0.046 0.000 2.697 217 H HA 0.555 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 55.679 56.048 0.079 0.000 1.322 217 H CB 0.990 30.805 29.762 0.089 0.000 1.405 217 H HN 0.102 nan 8.280 nan 0.000 0.502 218 A N 2.239 125.148 122.820 0.149 0.000 2.312 218 A HA 0.876 5.196 4.320 -0.000 0.000 0.328 218 A C -0.354 177.338 177.584 0.180 0.000 1.158 218 A CA -0.398 51.726 52.037 0.145 0.000 0.821 218 A CB 0.758 19.797 19.000 0.065 0.000 1.170 218 A HN 0.684 nan 8.150 nan 0.000 0.490 219 A N 0.674 123.630 122.820 0.228 0.000 2.435 219 A HA 0.932 5.252 4.320 -0.000 0.000 0.304 219 A C 0.036 177.721 177.584 0.169 0.000 1.064 219 A CA -0.003 52.165 52.037 0.217 0.000 0.727 219 A CB 1.665 20.811 19.000 0.243 0.000 1.284 219 A HN 2.087 nan 8.150 nan 0.000 0.415 220 G N -0.157 108.734 108.800 0.152 0.000 2.788 220 G HA2 0.637 4.597 3.960 -0.000 0.000 0.293 220 G HA3 0.637 4.597 3.960 -0.000 0.000 0.293 220 G C -1.404 173.579 174.900 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 -1.211 119.338 120.500 0.080 0.000 2.621 221 R HA 0.731 5.071 4.340 -0.000 0.000 0.292 221 R C -1.427 174.909 176.300 0.060 0.000 0.969 221 R CA -0.537 55.611 56.100 0.080 0.000 0.887 221 R CB 2.106 32.431 30.300 0.042 0.000 1.180 221 R HN 0.696 nan 8.270 nan 0.000 0.450 222 V N 5.091 125.045 119.914 0.067 0.000 3.147 222 V HA 0.532 4.652 4.120 -0.000 0.000 0.306 222 V C -1.580 174.554 176.094 0.067 0.000 1.209 222 V CA -0.915 61.421 62.300 0.060 0.000 1.023 222 V CB 2.298 34.150 31.823 0.048 0.000 1.059 222 V HN 0.690 nan 8.190 nan 0.000 0.435 223 L N 4.530 125.799 121.223 0.077 0.000 2.289 223 L HA 0.544 4.884 4.340 -0.000 0.000 0.285 223 L C 0.299 177.221 176.870 0.088 0.000 1.049 223 L CA -0.521 54.363 54.840 0.074 0.000 0.804 223 L CB 1.260 43.363 42.059 0.072 0.000 1.195 223 L HN 0.590 nan 8.230 nan 0.000 0.428 224 K N 2.159 122.602 120.400 0.073 0.000 2.276 224 K HA 0.049 4.369 4.320 -0.000 0.000 0.259 224 K C 0.976 177.632 176.600 0.092 0.000 1.001 224 K CA -0.407 55.925 56.287 0.075 0.000 0.927 224 K CB 0.681 33.214 32.500 0.056 0.000 0.969 224 K HN 0.521 nan 8.250 nan 0.000 0.490 225 K N 0.152 120.613 120.400 0.102 0.000 2.585 225 K HA -0.100 4.220 4.320 -0.000 0.000 0.194 225 K C 0.684 177.339 176.600 0.092 0.000 1.037 225 K CA 1.520 57.881 56.287 0.124 0.000 0.964 225 K CB -0.244 32.333 32.500 0.128 0.000 0.787 225 K HN 0.620 nan 8.250 nan 0.000 0.488 226 T N -2.121 112.474 114.554 0.069 0.000 3.081 226 T HA 0.036 4.386 4.350 -0.000 0.000 0.250 226 T C 0.572 175.300 174.700 0.046 0.000 1.100 226 T CA -0.104 62.028 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 60.712 62.100 0.041 0.000 0.967 227 T CB 1.257 70.148 68.868 0.037 0.000 0.926 227 T HN 0.121 nan 8.240 nan 0.000 0.459 228 P HA 0.025 nan 4.420 nan 0.000 0.264 228 P C -0.278 177.039 177.300 0.028 0.000 1.179 228 P CA 0.098 63.215 63.100 0.028 0.000 0.763 228 P CB 0.370 32.080 31.700 0.018 0.000 0.806 229 M N 2.816 122.427 119.600 0.020 0.000 2.211 229 M HA 0.252 4.732 4.480 -0.000 0.000 0.356 229 M C 0.566 176.869 176.300 0.005 0.000 1.216 229 M CA 0.472 55.780 55.300 0.013 0.000 1.134 229 M CB 0.430 33.018 32.600 -0.020 0.000 1.564 229 M HN 0.135 nan 8.290 nan 0.000 0.463 230 K N 2.938 123.349 120.400 0.019 0.000 2.527 230 K HA 0.556 4.876 4.320 -0.000 0.000 0.260 230 K C -2.822 173.805 176.600 0.044 0.000 0.937 230 K CA -1.876 54.427 56.287 0.026 0.000 0.826 230 K CB 1.663 34.182 32.500 0.032 0.000 1.359 230 K HN 0.220 nan 8.250 nan 0.000 0.434 231 P HA 0.064 nan 4.420 nan 0.000 0.269 231 P C 1.005 178.373 177.300 0.114 0.000 1.209 231 P CA -0.283 62.866 63.100 0.082 0.000 0.776 231 P CB 0.587 32.343 31.700 0.093 0.000 0.876 232 C N 3.113 122.489 119.300 0.127 0.000 2.398 232 C HA -0.190 4.270 4.460 -0.000 0.000 0.276 232 C C 1.450 176.540 174.990 0.167 0.000 1.222 232 C CA 0.525 59.624 59.018 0.135 0.000 1.746 232 C CB -1.657 26.164 27.740 0.136 0.000 2.039 232 C HN 0.546 nan 8.230 nan 0.000 0.470 233 Y N 1.076 121.416 120.300 0.068 0.000 2.745 233 Y HA 0.379 4.929 4.550 -0.000 0.000 0.335 233 Y C 1.190 177.147 175.900 0.095 0.000 1.212 233 Y CA 1.156 59.302 58.100 0.076 0.000 1.535 233 Y CB -0.078 38.410 38.460 0.047 0.000 1.220 233 Y HN 0.634 nan 8.280 nan 0.000 0.531 234 G N 3.071 111.747 108.800 -0.207 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 0.166 175.109 174.900 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 -0.499 174.087 174.600 -0.022 0.000 1.297 235 S CA 0.041 58.260 58.200 0.032 0.000 1.052 235 S CB 1.120 64.346 63.200 0.043 0.000 0.917 235 S HN 0.798 nan 8.310 nan 0.000 0.492 236 Y N 1.240 121.367 120.300 -0.288 0.000 2.544 236 Y HA 0.599 5.149 4.550 -0.000 0.000 0.342 236 Y C -1.242 174.507 175.900 -0.252 0.000 1.062 236 Y CA -0.802 57.024 58.100 -0.457 0.000 1.023 236 Y CB 1.278 39.054 38.460 -1.141 0.000 1.308 236 Y HN 0.676 nan 8.280 nan 0.000 0.457 237 A N 5.855 127.999 122.820 -1.127 0.000 2.466 237 A HA 0.458 4.778 4.320 -0.000 0.000 0.284 237 A C -1.450 175.592 177.584 -0.905 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 3.192 123.164 120.400 -0.713 0.000 2.524 238 K HA 0.290 4.610 4.320 -0.000 0.000 0.279 238 K C -2.392 174.097 176.600 -0.185 0.000 0.993 238 K CA -0.545 55.546 56.287 -0.327 0.000 1.030 238 K CB 0.129 32.593 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 0.007 177.285 177.300 -0.037 0.000 1.216 239 P CA -0.292 62.772 63.100 -0.060 0.000 0.776 239 P CB 1.096 32.779 31.700 -0.027 0.000 0.881 240 T N -1.909 112.628 114.554 -0.028 0.000 3.044 240 T HA 0.202 4.552 4.350 -0.000 0.000 0.260 240 T C 0.213 174.907 174.700 -0.011 0.000 1.019 240 T CA -0.277 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 0.587 176.055 175.510 -0.070 0.000 1.237 241 N CA -0.303 52.726 53.050 -0.035 0.000 0.838 241 N CB 0.693 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 0.172 120.321 120.200 -0.085 0.000 2.393 242 E HA -0.215 4.135 4.350 -0.000 0.000 0.201 242 E C 0.419 176.913 176.600 -0.178 0.000 1.025 242 E CA 1.595 57.931 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 -0.971 117.569 118.700 -0.268 0.000 2.270 243 N HA 0.235 4.975 4.740 -0.000 0.000 0.198 243 N C 1.346 176.710 175.510 -0.242 0.000 1.117 243 N CA 0.777 53.552 53.050 -0.459 0.000 0.845 243 N CB 1.244 38.990 38.487 -1.234 0.000 0.980 243 N HN 0.579 nan 8.380 nan 0.000 0.486 244 G N 0.100 108.836 108.800 -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 -0.101 44.980 45.100 -0.032 0.000 0.627 244 G HN 0.553 nan 8.290 nan 0.000 0.522 245 G N -0.184 108.636 108.800 0.033 0.000 2.353 245 G HA2 0.432 4.392 3.960 -0.000 0.000 0.239 245 G HA3 0.432 4.392 3.960 -0.000 0.000 0.239 245 G C 0.568 175.470 174.900 0.004 0.000 1.295 245 G CA 0.565 45.699 45.100 0.057 0.000 0.884 245 G HN 0.580 nan 8.290 nan 0.000 0.537 246 Q N 1.199 120.992 119.800 -0.012 0.000 2.179 246 Q HA 0.227 4.567 4.340 -0.000 0.000 0.213 246 Q C 1.288 177.270 176.000 -0.031 0.000 0.833 246 Q CA -0.156 55.619 55.803 -0.048 0.000 0.990 246 Q CB 1.167 29.846 28.738 -0.098 0.000 1.132 246 Q HN 0.607 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 -0.187 174.715 174.900 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 0.003 4.173 4.170 -0.000 0.000 0.287 248 I C 0.582 176.705 176.117 0.009 0.000 1.188 248 I CA 0.389 61.690 61.300 0.002 0.000 1.427 248 I CB 0.667 38.669 38.000 0.003 0.000 1.365 248 I HN 0.214 nan 8.210 nan 0.000 0.585 249 L N 6.830 128.058 121.223 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 54.209 54.840 0.011 0.000 0.806 249 L CB 1.423 43.488 42.059 0.010 0.000 1.214 249 L HN 0.320 nan 8.230 nan 0.000 0.426 259 S N 0.158 115.873 115.700 0.025 0.000 2.549 259 S HA 0.227 4.697 4.470 -0.000 0.000 0.283 259 S C 0.691 175.308 174.600 0.030 0.000 1.320 259 S CA 0.249 58.467 58.200 0.030 0.000 1.058 259 S CB 0.851 64.074 63.200 0.037 0.000 0.882 259 S HN 0.486 nan 8.310 nan 0.000 0.498 260 Q N 2.919 122.737 119.800 0.030 0.000 2.172 260 Q HA 0.190 4.530 4.340 -0.000 0.000 0.217 260 Q C -0.313 175.708 176.000 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 0.471 176.594 176.094 0.048 0.000 1.059 261 V CA 0.654 62.992 62.300 0.063 0.000 1.138 261 V CB 0.613 32.497 31.823 0.102 0.000 0.940 261 V HN 0.390 nan 8.190 nan 0.000 0.489 262 E N 4.950 125.164 120.200 0.023 0.000 2.265 262 E HA 0.636 4.986 4.350 -0.000 0.000 0.262 262 E C -0.602 175.933 176.600 -0.110 0.000 0.889 262 E CA -0.834 55.554 56.400 -0.020 0.000 0.789 262 E CB 1.486 31.181 29.700 -0.008 0.000 1.221 262 E HN 0.747 nan 8.360 nan 0.000 0.414 263 M N 0.955 120.427 119.600 -0.213 0.000 2.243 263 M HA 0.441 4.921 4.480 -0.000 0.000 0.341 263 M C 0.057 176.122 176.300 -0.391 0.000 1.130 263 M CA -0.099 54.898 55.300 -0.504 0.000 1.162 263 M CB 0.391 32.485 32.600 -0.844 0.000 1.497 263 M HN 0.498 nan 8.290 nan 0.000 0.456 264 Q N 2.176 121.675 119.800 -0.501 0.000 2.310 264 Q HA 0.536 4.876 4.340 -0.000 0.000 0.270 264 Q C -1.644 174.012 176.000 -0.573 0.000 1.025 264 Q CA -0.393 55.192 55.803 -0.364 0.000 0.772 264 Q CB 1.828 30.503 28.738 -0.106 0.000 1.253 264 Q HN 0.528 nan 8.270 nan 0.000 0.450 265 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 -0.166 175.216 175.800 -0.697 0.000 1.096 265 F CA -0.465 57.315 58.000 -0.367 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 -0.065 119.951 119.950 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 -0.554 115.274 115.700 0.213 0.000 2.651 267 S HA 0.580 5.050 4.470 -0.000 0.000 0.279 267 S C 0.099 174.754 174.600 0.092 0.000 1.148 267 S CA -0.492 57.777 58.200 0.115 0.000 0.837 267 S CB 1.857 65.096 63.200 0.066 0.000 1.138 267 S HN 0.764 nan 8.310 nan 0.000 0.478 268 T N 0.370 114.955 114.554 0.051 0.000 4.971 268 T HA 0.464 4.814 4.350 -0.000 0.000 0.217 268 T C 0.921 175.639 174.700 0.029 0.000 0.770 268 T CA 0.890 63.010 62.100 0.033 0.000 2.187 268 T CB -1.186 67.692 68.868 0.016 0.000 1.552 268 T HN 0.883 nan 8.240 nan 0.000 0.277 279 L N -0.145 121.074 121.223 -0.005 0.000 2.999 279 L HA 0.489 4.829 4.340 -0.000 0.000 0.304 279 L C 1.171 178.038 176.870 -0.005 0.000 1.104 279 L CA 1.537 56.372 54.840 -0.008 0.000 0.911 279 L CB -1.402 40.645 42.059 -0.020 0.000 1.341 279 L HN 2.408 nan 8.230 nan 0.000 0.487 280 T N 3.832 118.393 114.554 0.010 0.000 3.548 280 T HA 0.628 4.978 4.350 -0.000 0.000 0.329 280 T C -2.082 172.650 174.700 0.054 0.000 0.960 280 T CA -0.791 61.326 62.100 0.028 0.000 1.041 280 T CB 0.784 69.677 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 0.136 63.323 63.100 0.144 0.000 0.761 281 P CB 0.662 32.514 31.700 0.255 0.000 0.785 282 K N 1.994 122.459 120.400 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 0.076 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 -0.062 119.936 119.914 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 -0.718 61.663 62.300 0.136 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 5.752 125.698 119.914 0.053 0.000 2.686 284 V HA 0.717 4.837 4.120 -0.000 0.000 0.306 284 V C -1.602 174.392 176.094 -0.168 0.000 1.065 284 V CA -0.319 61.856 62.300 -0.207 0.000 0.894 284 V CB 1.886 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 6.148 127.236 121.223 -0.225 0.000 2.346 285 L HA 0.586 4.926 4.340 -0.000 0.000 0.274 285 L C -1.383 175.316 176.870 -0.285 0.000 1.007 285 L CA -0.752 54.025 54.840 -0.105 0.000 0.818 285 L CB 2.271 44.338 42.059 0.013 0.000 1.284 285 L HN 0.658 nan 8.230 nan 0.000 0.424 286 Y N 1.005 121.255 120.300 -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 -0.651 57.401 58.100 -0.080 0.000 1.314 286 Y CB 0.787 39.192 38.460 -0.092 0.000 1.164 286 Y HN 0.501 nan 8.280 nan 0.000 0.509 287 S N 3.151 118.871 115.700 0.033 0.000 2.548 287 S HA 0.537 5.007 4.470 -0.000 0.000 0.277 287 S C -0.291 174.341 174.600 0.054 0.000 1.315 287 S CA -0.562 57.666 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 1.123 121.355 120.200 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 0.045 0.000 0.812 288 E CB 0.896 30.623 29.700 0.046 0.000 1.313 288 E HN 0.463 nan 8.360 nan 0.000 0.456 289 D N 1.222 121.639 120.400 0.028 0.000 2.256 289 D HA 0.428 5.068 4.640 -0.000 0.000 0.240 289 D C -0.457 175.846 176.300 0.006 0.000 1.062 289 D CA -0.291 53.721 54.000 0.021 0.000 0.832 289 D CB 1.982 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 -0.886 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 2.160 122.525 120.400 -0.058 0.000 2.619 291 D HA 0.224 4.864 4.640 -0.000 0.000 0.224 291 D C 0.034 176.293 176.300 -0.068 0.000 1.133 291 D CA -0.066 53.905 54.000 -0.048 0.000 1.017 291 D CB 0.031 40.806 40.800 -0.042 0.000 1.077 291 D HN 0.662 nan 8.370 nan 0.000 0.503 292 I N 2.443 122.984 120.570 -0.048 0.000 2.598 292 I HA -0.031 4.139 4.170 -0.000 0.000 0.284 292 I C 0.254 176.364 176.117 -0.011 0.000 1.140 292 I CA 0.550 61.823 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 3.708 123.909 120.200 0.002 0.000 2.433 293 E HA 0.572 4.922 4.350 -0.000 0.000 0.273 293 E C -1.041 175.582 176.600 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 -2.244 112.336 114.554 0.043 0.000 3.631 294 T HA 0.247 4.597 4.350 -0.000 0.000 0.256 294 T C -2.315 172.422 174.700 0.061 0.000 1.187 294 T CA -1.244 60.886 62.100 0.050 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 0.036 nan 4.420 nan 0.000 0.225 295 P C 0.430 177.762 177.300 0.053 0.000 1.148 295 P CA 1.211 64.337 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 -2.269 118.186 120.400 0.093 0.000 2.594 296 D HA 0.062 4.702 4.640 -0.000 0.000 0.256 296 D C 0.020 176.372 176.300 0.086 0.000 1.393 296 D CA -0.264 53.769 54.000 0.055 0.000 0.797 296 D CB -0.368 40.464 40.800 0.054 0.000 1.110 296 D HN 0.126 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 -0.627 174.205 174.700 0.220 0.000 1.119 297 T CA -0.831 61.372 62.100 0.171 0.000 1.007 297 T CB 2.588 71.533 68.868 0.129 0.000 1.225 297 T HN 0.312 nan 8.240 nan 0.000 0.515 298 H N -0.597 118.504 119.070 0.051 0.000 2.977 298 H HA 0.531 5.087 4.556 -0.000 0.000 0.350 298 H C -1.185 174.161 175.328 0.029 0.000 1.238 298 H CA -1.458 54.603 56.048 0.022 0.000 1.124 298 H CB 0.805 30.557 29.762 -0.016 0.000 1.866 298 H HN 0.580 nan 8.280 nan 0.000 0.550 299 I N 2.780 123.353 120.570 0.004 0.000 2.379 299 I HA -0.034 4.136 4.170 -0.000 0.000 0.290 299 I C 1.568 177.630 176.117 -0.091 0.000 1.063 299 I CA 0.174 61.442 61.300 -0.052 0.000 1.351 299 I CB 0.997 38.986 38.000 -0.020 0.000 1.410 299 I HN 0.750 nan 8.210 nan 0.000 0.505 300 S N 6.031 121.658 115.700 -0.122 0.000 2.528 300 S HA -0.037 4.433 4.470 -0.000 0.000 0.219 300 S C 0.214 174.863 174.600 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 1.156 121.413 120.300 -0.072 0.000 2.294 301 Y HA 0.545 5.095 4.550 -0.000 0.000 0.329 301 Y C -1.172 174.701 175.900 -0.046 0.000 1.135 301 Y CA -1.196 56.874 58.100 -0.050 0.000 1.213 301 Y CB 0.976 39.403 38.460 -0.056 0.000 1.141 301 Y HN 0.057 nan 8.280 nan 0.000 0.446 302 M N 8.613 127.874 119.600 -0.564 0.000 2.084 302 M HA 0.353 4.833 4.480 -0.000 0.000 0.351 302 M C -1.950 173.874 176.300 -0.794 0.000 1.240 302 M CA -2.807 52.190 55.300 -0.505 0.000 1.083 302 M CB 1.141 33.586 32.600 -0.258 0.000 1.593 302 M HN 0.444 nan 8.290 nan 0.000 0.463 303 P HA 0.090 nan 4.420 nan 0.000 0.235 303 P C -0.661 176.492 177.300 -0.244 0.000 1.177 303 P CA 0.638 63.452 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 -2.113 112.316 114.554 -0.208 0.000 3.097 304 T HA 0.423 4.773 4.350 -0.000 0.000 0.332 304 T C 0.502 175.136 174.700 -0.109 0.000 1.269 304 T CA -0.425 61.597 62.100 -0.131 0.000 1.076 304 T CB 1.092 69.898 68.868 -0.102 0.000 1.209 304 T HN -0.178 nan 8.240 nan 0.000 0.474 305 I N -0.785 119.736 120.570 -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 -0.082 61.181 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 0.258 176.835 176.600 -0.038 0.000 1.010 306 K CA 0.126 56.390 56.287 -0.039 0.000 0.875 306 K CB -0.423 32.054 32.500 -0.038 0.000 1.106 306 K HN 1.477 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 0.527 109.325 108.800 -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 0.187 118.906 118.700 0.031 0.000 2.492 309 N HA 0.568 5.308 4.740 -0.000 0.000 0.262 309 N C 0.562 176.067 175.510 -0.008 0.000 1.202 309 N CA 0.667 53.727 53.050 0.018 0.000 0.926 309 N CB 1.513 40.064 38.487 0.106 0.000 1.078 309 N HN 1.332 nan 8.380 nan 0.000 0.454 310 S N -0.633 114.929 115.700 -0.230 0.000 2.588 310 S HA 0.621 5.091 4.470 -0.000 0.000 0.269 310 S C 0.950 174.990 174.600 -0.934 0.000 1.157 310 S CA -0.319 57.630 58.200 -0.418 0.000 0.824 310 S CB 1.022 64.106 63.200 -0.193 0.000 1.126 310 S HN 0.573 nan 8.310 nan 0.000 0.464 311 R N 0.390 120.229 120.500 -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 3.247 58.723 56.100 -1.040 0.000 0.976 311 R CB -2.385 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 28.925 29.700 -0.169 0.000 0.744 312 E HN 0.662 nan 8.360 nan 0.000 0.451 313 L N -0.214 120.847 121.223 -0.271 0.000 2.450 313 L HA -0.063 4.277 4.340 -0.000 0.000 0.224 313 L C 2.780 179.521 176.870 -0.215 0.000 1.149 313 L CA 0.707 55.418 54.840 -0.214 0.000 0.816 313 L CB -0.292 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 1.321 56.440 55.300 -0.302 0.000 1.096 314 M CB -0.534 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 0.441 109.169 108.800 -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 0.043 119.860 119.800 0.029 0.000 2.392 316 Q HA 0.437 4.777 4.340 -0.000 0.000 0.262 316 Q C -0.756 175.292 176.000 0.080 0.000 1.003 316 Q CA 0.053 55.888 55.803 0.054 0.000 0.888 316 Q CB 0.796 29.507 28.738 -0.046 0.000 1.260 316 Q HN 0.219 nan 8.270 nan 0.000 0.435 317 Q N 0.941 120.808 119.800 0.112 0.000 2.342 317 Q HA 0.476 4.816 4.340 -0.000 0.000 0.267 317 Q C -1.238 174.762 176.000 -0.000 0.000 1.038 317 Q CA -0.646 55.184 55.803 0.045 0.000 0.832 317 Q CB 2.496 31.252 28.738 0.030 0.000 1.323 317 Q HN 0.718 nan 8.270 nan 0.000 0.448 318 S N 2.329 118.022 115.700 -0.012 0.000 2.549 318 S HA 0.786 5.256 4.470 -0.000 0.000 0.297 318 S C -0.992 173.573 174.600 -0.059 0.000 1.115 318 S CA -0.627 57.583 58.200 0.016 0.000 1.059 318 S CB 0.825 64.140 63.200 0.193 0.000 1.046 318 S HN 0.664 nan 8.310 nan 0.000 0.506 319 M N 4.987 124.525 119.600 -0.104 0.000 2.378 319 M HA 0.517 4.997 4.480 -0.000 0.000 0.289 319 M C -2.835 173.466 176.300 0.001 0.000 1.136 319 M CA -2.010 53.215 55.300 -0.124 0.000 0.917 319 M CB 2.361 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 -1.231 176.173 177.300 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 1.726 120.514 118.700 0.146 0.000 2.503 321 N HA 0.156 4.896 4.740 -0.000 0.000 0.267 321 N C 0.404 175.885 175.510 -0.049 0.000 1.214 321 N CA -0.265 52.840 53.050 0.092 0.000 0.959 321 N CB 0.219 38.751 38.487 0.074 0.000 1.142 321 N HN 0.256 nan 8.380 nan 0.000 0.455 322 R N 1.580 122.008 120.500 -0.121 0.000 2.570 322 R HA 0.132 4.472 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 -0.999 54.982 56.100 -0.198 0.000 1.065 322 R CB -0.191 29.925 30.300 -0.305 0.000 0.964 322 R HN 0.399 nan 8.270 nan 0.000 0.428 323 P HA 0.003 nan 4.420 nan 0.000 0.268 323 P C -0.851 176.281 177.300 -0.279 0.000 1.205 323 P CA -0.005 62.868 63.100 -0.379 0.000 0.771 323 P CB 0.533 32.013 31.700 -0.367 0.000 0.858 324 N N 2.032 120.466 118.700 -0.443 0.000 2.621 324 N HA 0.212 4.952 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 52.448 53.050 -0.242 0.000 0.805 324 N CB 0.150 38.566 38.487 -0.118 0.000 1.351 324 N HN 0.133 nan 8.380 nan 0.000 0.539 325 Y N 2.612 122.947 120.300 0.058 0.000 2.319 325 Y HA 0.464 5.014 4.550 -0.000 0.000 0.328 325 Y C 0.607 176.619 175.900 0.186 0.000 1.133 325 Y CA -0.070 58.133 58.100 0.172 0.000 1.265 325 Y CB 0.897 39.447 38.460 0.150 0.000 1.218 325 Y HN 0.288 nan 8.280 nan 0.000 0.508 326 I N 2.817 123.634 120.570 0.411 0.000 2.569 326 I HA 0.771 4.941 4.170 -0.000 0.000 0.290 326 I C -0.488 175.585 176.117 -0.072 0.000 1.088 326 I CA -0.694 60.660 61.300 0.090 0.000 1.047 326 I CB 1.773 39.759 38.000 -0.023 0.000 1.237 326 I HN 0.724 nan 8.210 nan 0.000 0.421 327 A N 4.641 127.394 122.820 -0.112 0.000 2.511 327 A HA 0.734 5.054 4.320 -0.000 0.000 0.293 327 A C -1.506 175.977 177.584 -0.167 0.000 1.098 327 A CA -0.591 51.342 52.037 -0.173 0.000 0.643 327 A CB 0.659 19.638 19.000 -0.036 0.000 1.302 327 A HN 0.402 nan 8.150 nan 0.000 0.446 328 F N 1.227 121.153 119.950 -0.039 0.000 2.444 328 F HA 0.468 4.995 4.527 -0.000 0.000 0.331 328 F C 1.554 177.333 175.800 -0.036 0.000 1.167 328 F CA 0.584 58.592 58.000 0.012 0.000 1.262 328 F CB 0.621 39.716 39.000 0.159 0.000 1.196 328 F HN 0.530 nan 8.300 nan 0.000 0.583 329 R N 0.153 120.779 120.500 0.210 0.000 2.583 329 R HA 0.149 4.489 4.340 -0.000 0.000 0.268 329 R C -0.810 175.459 176.300 -0.052 0.000 1.101 329 R CA -0.919 55.226 56.100 0.074 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 1.285 121.659 120.400 -0.043 0.000 2.472 330 D HA -0.078 4.562 4.640 -0.000 0.000 0.248 330 D C -0.200 176.070 176.300 -0.051 0.000 1.174 330 D CA 0.682 54.638 54.000 -0.073 0.000 0.883 330 D CB 0.170 40.952 40.800 -0.029 0.000 1.149 330 D HN 0.483 nan 8.370 nan 0.000 0.488 331 N N 3.560 122.191 118.700 -0.114 0.000 2.741 331 N HA -0.266 4.474 4.740 -0.000 0.000 0.251 331 N C -0.056 175.502 175.510 0.079 0.000 1.112 331 N CA 0.878 53.932 53.050 0.007 0.000 0.750 331 N CB -1.459 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 -1.831 118.180 119.950 0.102 0.000 3.093 332 F HA -0.252 4.275 4.527 -0.000 0.000 0.287 332 F C 0.988 176.853 175.800 0.109 0.000 0.882 332 F CA 0.201 58.254 58.000 0.087 0.000 1.063 332 F CB -2.084 36.942 39.000 0.042 0.000 1.097 332 F HN 0.204 nan 8.300 nan 0.000 0.604 333 I N 0.392 121.095 120.570 0.221 0.000 2.880 333 I HA 0.138 4.308 4.170 -0.000 0.000 0.296 333 I C 1.645 177.885 176.117 0.205 0.000 1.220 333 I CA 1.603 63.020 61.300 0.195 0.000 1.435 333 I CB 0.049 38.133 38.000 0.139 0.000 1.339 333 I HN 0.560 nan 8.210 nan 0.000 0.583 334 G N 4.317 113.220 108.800 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 0.902 175.851 174.900 0.082 0.000 1.033 334 G CA 0.405 45.573 45.100 0.113 0.000 0.620 334 G HN 0.572 nan 8.290 nan 0.000 0.517 335 L N 0.183 121.507 121.223 0.168 0.000 1.989 335 L HA 0.124 4.464 4.340 -0.000 0.000 0.211 335 L C 1.913 178.825 176.870 0.071 0.000 1.071 335 L CA 1.659 56.611 54.840 0.186 0.000 0.749 335 L CB -0.218 41.965 42.059 0.207 0.000 0.890 335 L HN 0.440 nan 8.230 nan 0.000 0.431 336 M N -2.064 117.500 119.600 -0.059 0.000 2.367 336 M HA 0.209 4.689 4.480 -0.000 0.000 0.339 336 M C -1.064 175.035 176.300 -0.334 0.000 1.177 336 M CA -0.373 54.743 55.300 -0.306 0.000 1.068 336 M CB 1.356 33.643 32.600 -0.520 0.000 1.602 336 M HN -0.176 nan 8.290 nan 0.000 0.457 337 Y N 1.310 121.444 120.300 -0.277 0.000 2.319 337 Y HA 0.329 4.879 4.550 -0.000 0.000 0.328 337 Y C -0.890 174.849 175.900 -0.268 0.000 1.133 337 Y CA 0.472 58.459 58.100 -0.189 0.000 1.265 337 Y CB 0.583 38.932 38.460 -0.184 0.000 1.218 337 Y HN 0.394 nan 8.280 nan 0.000 0.508 338 Y N -0.176 120.286 120.300 0.269 0.000 2.571 338 Y HA 0.212 4.762 4.550 -0.000 0.000 0.341 338 Y C -0.067 175.935 175.900 0.171 0.000 1.076 338 Y CA -2.554 55.682 58.100 0.226 0.000 1.029 338 Y CB 1.438 40.059 38.460 0.268 0.000 1.308 338 Y HN 0.684 nan 8.280 nan 0.000 0.461 339 N N -0.386 118.508 118.700 0.323 0.000 2.716 339 N HA -0.171 4.569 4.740 -0.000 0.000 0.250 339 N C -0.692 174.907 175.510 0.148 0.000 1.033 339 N CA 0.978 54.162 53.050 0.224 0.000 0.727 339 N CB -1.231 37.414 38.487 0.263 0.000 0.950 339 N HN 0.813 nan 8.380 nan 0.000 0.541 340 S N -0.960 114.794 115.700 0.090 0.000 2.756 340 S HA 0.538 5.008 4.470 -0.000 0.000 0.303 340 S C 1.142 175.711 174.600 -0.052 0.000 1.135 340 S CA -0.619 57.608 58.200 0.045 0.000 1.066 340 S CB 0.977 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 2.528 117.054 114.554 -0.047 0.000 2.803 341 T HA -0.064 4.286 4.350 -0.000 0.000 0.269 341 T C 2.133 176.762 174.700 -0.118 0.000 1.052 341 T CA 2.041 64.093 62.100 -0.081 0.000 1.136 341 T CB -0.257 68.580 68.868 -0.052 0.000 0.864 341 T HN 0.824 nan 8.240 nan 0.000 0.467 342 G N 1.384 110.116 108.800 -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 0.132 45.148 45.100 -0.140 0.000 0.784 342 G HN 0.475 nan 8.290 nan 0.000 0.543 343 N N 0.263 118.764 118.700 -0.332 0.000 2.644 343 N HA 0.199 4.939 4.740 -0.000 0.000 0.313 343 N C -0.619 174.597 175.510 -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 1.175 120.525 119.600 -0.416 0.000 2.219 344 M HA 0.221 4.701 4.480 -0.000 0.000 0.353 344 M C 0.897 176.770 176.300 -0.713 0.000 1.304 344 M CA -0.116 54.890 55.300 -0.490 0.000 1.115 344 M CB 0.638 33.034 32.600 -0.340 0.000 1.664 344 M HN 0.227 nan 8.290 nan 0.000 0.459 345 G N 3.317 111.398 108.800 -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 -1.167 173.286 174.900 -0.744 0.000 1.219 345 G CA -0.626 43.397 45.100 -1.796 0.000 0.866 345 G HN 0.655 nan 8.290 nan 0.000 0.572 346 V N 0.540 120.269 119.914 -0.309 0.000 2.733 346 V HA 0.475 4.595 4.120 -0.000 0.000 0.306 346 V C -0.946 175.347 176.094 0.331 0.000 1.084 346 V CA -0.574 61.736 62.300 0.017 0.000 0.905 346 V CB 1.768 33.584 31.823 -0.012 0.000 1.010 346 V HN 0.686 nan 8.190 nan 0.000 0.424 347 L N 4.723 126.120 121.223 0.290 0.000 2.518 347 L HA 0.938 5.278 4.340 -0.000 0.000 0.262 347 L C -0.353 176.649 176.870 0.220 0.000 0.982 347 L CA 0.058 55.085 54.840 0.313 0.000 0.873 347 L CB 1.175 43.390 42.059 0.260 0.000 1.198 347 L HN 0.866 nan 8.230 nan 0.000 0.427 348 A N 2.811 125.775 122.820 0.240 0.000 2.515 348 A HA 0.835 5.155 4.320 -0.000 0.000 0.298 348 A C -0.181 177.559 177.584 0.261 0.000 1.059 348 A CA -0.208 51.961 52.037 0.220 0.000 0.698 348 A CB 1.311 20.398 19.000 0.145 0.000 1.289 348 A HN 0.816 nan 8.150 nan 0.000 0.404 349 G N 0.062 109.004 108.800 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 0.389 175.294 174.900 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 1.741 121.505 119.800 -0.059 0.000 2.234 350 Q HA -0.159 4.181 4.340 -0.000 0.000 0.206 350 Q C 2.590 178.575 176.000 -0.026 0.000 0.980 350 Q CA 1.474 57.261 55.803 -0.027 0.000 0.869 350 Q CB -0.012 28.701 28.738 -0.042 0.000 0.912 350 Q HN 0.673 nan 8.270 nan 0.000 0.436 351 A N -0.301 122.490 122.820 -0.049 0.000 2.218 351 A HA 0.134 4.454 4.320 -0.000 0.000 0.209 351 A C 2.037 179.622 177.584 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 -2.790 112.924 115.700 0.024 0.000 2.564 352 S HA 0.377 4.847 4.470 -0.000 0.000 0.231 352 S C 1.483 176.113 174.600 0.050 0.000 1.067 352 S CA 1.692 59.922 58.200 0.050 0.000 0.908 352 S CB -0.063 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 -0.704 119.125 119.800 0.049 0.000 2.264 353 Q HA -0.172 4.168 4.340 -0.000 0.000 0.207 353 Q C 0.581 176.613 176.000 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 0.912 nan 8.270 nan 0.000 0.683 354 L N 1.741 123.005 121.223 0.069 0.000 2.292 354 L HA 0.626 4.966 4.340 -0.000 0.000 0.284 354 L C 0.043 176.969 176.870 0.093 0.000 1.065 354 L CA -0.559 54.326 54.840 0.075 0.000 0.806 354 L CB 1.441 43.551 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 0.718 176.307 175.510 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 3.508 126.429 122.820 0.167 0.000 2.067 356 A HA 0.029 4.349 4.320 -0.000 0.000 0.219 356 A C 0.615 178.391 177.584 0.319 0.000 1.158 356 A CA 0.527 52.699 52.037 0.225 0.000 0.661 356 A CB -0.018 19.089 19.000 0.178 0.000 0.801 356 A HN 0.451 nan 8.150 nan 0.000 0.452 357 V N 0.850 120.893 119.914 0.215 0.000 2.461 357 V HA 0.366 4.486 4.120 -0.000 0.000 0.275 357 V C -0.541 175.541 176.094 -0.021 0.000 1.047 357 V CA -0.107 62.286 62.300 0.155 0.000 0.955 357 V CB 1.260 33.080 31.823 -0.005 0.000 0.988 357 V HN 0.097 nan 8.190 nan 0.000 0.471 358 V N 4.446 124.276 119.914 -0.140 0.000 2.498 358 V HA 0.413 4.533 4.120 -0.000 0.000 0.283 358 V C -0.572 175.355 176.094 -0.279 0.000 1.015 358 V CA -0.576 61.505 62.300 -0.365 0.000 0.867 358 V CB 1.597 32.998 31.823 -0.703 0.000 1.025 358 V HN 0.836 nan 8.190 nan 0.000 0.441 359 D N 3.163 123.457 120.400 -0.176 0.000 2.384 359 D HA 0.795 5.435 4.640 -0.000 0.000 0.250 359 D C -0.819 175.490 176.300 0.015 0.000 1.029 359 D CA -0.257 53.727 54.000 -0.027 0.000 0.990 359 D CB 2.226 42.961 40.800 -0.108 0.000 1.175 359 D HN 0.356 nan 8.370 nan 0.000 0.532 360 L N 1.223 122.511 121.223 0.109 0.000 2.388 360 L HA 0.340 4.680 4.340 -0.000 0.000 0.264 360 L C 1.316 178.255 176.870 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 0.053 119.903 119.800 0.084 0.000 2.297 361 Q HA -0.135 4.205 4.340 -0.000 0.000 0.204 361 Q C 0.468 176.536 176.000 0.113 0.000 0.962 361 Q CA 0.982 56.837 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 0.370 120.839 120.400 0.115 0.000 2.317 362 D HA -0.030 4.610 4.640 -0.000 0.000 0.211 362 D C 0.407 176.801 176.300 0.158 0.000 0.966 362 D CA 0.394 54.469 54.000 0.125 0.000 0.876 362 D CB 0.247 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 0.308 120.917 120.500 0.181 0.000 2.500 363 R HA 0.258 4.598 4.340 -0.000 0.000 0.277 363 R C -0.567 175.853 176.300 0.200 0.000 1.026 363 R CA -0.484 55.731 56.100 0.192 0.000 1.058 363 R CB 0.633 31.087 30.300 0.256 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 52.947 53.050 0.081 0.000 0.820 364 N CB 1.293 39.743 38.487 -0.062 0.000 1.156 364 N HN 0.561 nan 8.380 nan 0.000 0.512 365 T N 0.866 115.472 114.554 0.086 0.000 2.674 365 T HA -0.108 4.242 4.350 -0.000 0.000 0.265 365 T C 1.370 176.030 174.700 -0.067 0.000 1.039 365 T CA 1.184 63.272 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 0.927 57.345 56.400 0.031 0.000 0.801 366 E CB -0.574 29.187 29.700 0.102 0.000 0.746 366 E HN 0.296 nan 8.360 nan 0.000 0.450 367 L N 1.115 122.319 121.223 -0.032 0.000 2.046 367 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 367 L C 2.526 179.377 176.870 -0.033 0.000 1.077 367 L CA 1.772 56.571 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 -1.739 113.968 115.700 0.011 0.000 2.387 368 S HA -0.309 4.161 4.470 -0.000 0.000 0.230 368 S C 2.093 176.725 174.600 0.052 0.000 1.035 368 S CA 1.667 59.904 58.200 0.061 0.000 1.014 368 S CB -0.607 62.628 63.200 0.058 0.000 0.836 368 S HN 0.636 nan 8.310 nan 0.000 0.466 369 Y N 1.674 121.920 120.300 -0.089 0.000 2.314 369 Y HA -0.014 4.536 4.550 -0.000 0.000 0.293 369 Y C 2.553 178.378 175.900 -0.125 0.000 1.129 369 Y CA 1.636 59.667 58.100 -0.115 0.000 1.201 369 Y CB -0.294 38.098 38.460 -0.113 0.000 0.999 369 Y HN 0.276 nan 8.280 nan 0.000 0.541 370 Q N 0.089 119.859 119.800 -0.049 0.000 2.050 370 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 370 Q C 2.367 178.249 176.000 -0.196 0.000 0.980 370 Q CA 1.713 57.443 55.803 -0.123 0.000 0.840 370 Q CB -0.521 28.112 28.738 -0.174 0.000 0.898 370 Q HN 0.529 nan 8.270 nan 0.000 0.424 371 L N 0.196 121.282 121.223 -0.229 0.000 2.156 371 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 371 L C 2.415 179.008 176.870 -0.462 0.000 1.095 371 L CA 0.353 55.073 54.840 -0.200 0.000 0.770 371 L CB -0.455 41.605 42.059 0.003 0.000 0.914 371 L HN 0.176 nan 8.230 nan 0.000 0.439 372 L N -0.095 120.722 121.223 -0.677 0.000 2.046 372 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 372 L C 2.347 178.861 176.870 -0.592 0.000 1.077 372 L CA 1.636 55.891 54.840 -0.976 0.000 0.747 372 L CB -0.312 41.350 42.059 -0.662 0.000 0.896 372 L HN 0.098 nan 8.230 nan 0.000 0.432 373 L N -0.427 120.512 121.223 -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 1.948 56.596 54.840 -0.320 0.000 0.745 373 L CB -0.815 41.075 42.059 -0.282 0.000 0.894 373 L HN 0.413 nan 8.230 nan 0.000 0.432 374 D N -0.278 120.074 120.400 -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 1.520 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 -0.131 115.510 115.700 -0.097 0.000 2.428 375 S HA -0.121 4.349 4.470 -0.000 0.000 0.230 375 S C 2.046 176.619 174.600 -0.045 0.000 1.014 375 S CA 0.875 59.043 58.200 -0.053 0.000 0.957 375 S CB -0.710 62.443 63.200 -0.078 0.000 0.784 375 S HN 0.577 nan 8.310 nan 0.000 0.499 376 I N -2.061 118.451 120.570 -0.097 0.000 3.956 376 I HA 0.587 4.757 4.170 -0.000 0.000 0.333 376 I C 0.696 176.787 176.117 -0.043 0.000 1.302 376 I CA -0.103 61.159 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 0.389 nan 8.210 nan 0.000 0.405 377 G N 0.844 109.621 108.800 -0.039 0.000 2.490 377 G HA2 0.117 4.077 3.960 -0.000 0.000 0.308 377 G HA3 0.117 4.077 3.960 -0.000 0.000 0.308 377 G C -2.010 172.876 174.900 -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 0.331 4.971 4.640 -0.000 0.000 0.219 378 D C 1.450 177.734 176.300 -0.027 0.000 1.126 378 D CA -0.688 53.292 54.000 -0.032 0.000 0.890 378 D CB 0.989 41.764 40.800 -0.041 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 1.846 178.148 176.300 0.004 0.000 1.107 379 R CA 1.027 57.119 56.100 -0.013 0.000 1.021 379 R CB -1.106 29.161 30.300 -0.055 0.000 0.852 379 R HN 0.565 nan 8.270 nan 0.000 0.475 380 T N -2.287 112.243 114.554 -0.041 0.000 3.023 380 T HA 0.066 4.416 4.350 -0.000 0.000 0.266 380 T C 0.906 175.517 174.700 -0.148 0.000 1.093 380 T CA 0.145 62.200 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 -0.086 0.000 2.490 381 R HA 0.354 4.694 4.340 -0.000 0.000 0.278 381 R C -0.873 175.490 176.300 0.104 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 0.008 175.965 175.900 0.094 0.000 1.133 382 Y CA -1.308 56.715 58.100 -0.127 0.000 1.152 382 Y CB 0.820 38.959 38.460 -0.535 0.000 1.215 382 Y HN 0.357 nan 8.280 nan 0.000 0.466 383 F N 2.249 122.282 119.950 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 56.444 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 5.008 120.818 115.700 0.182 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 -0.024 119.021 119.600 -0.926 0.000 2.113 385 M HA -0.164 4.316 4.480 -0.000 0.000 0.255 385 M C 1.251 177.062 176.300 -0.816 0.000 1.073 385 M CA 2.235 56.842 55.300 -1.155 0.000 1.091 385 M CB -0.309 31.203 32.600 -1.814 0.000 1.309 385 M HN 0.611 nan 8.290 nan 0.000 0.407 386 W N -0.682 120.303 121.300 -0.524 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 56.627 57.345 -0.177 0.000 1.841 386 W CB -0.178 29.221 29.460 -0.102 0.000 1.084 386 W HN 0.375 nan 8.180 nan 0.000 0.665 387 N N 1.256 119.797 118.700 -0.264 0.000 2.747 387 N HA -0.258 4.482 4.740 -0.000 0.000 0.249 387 N C 0.021 175.405 175.510 -0.209 0.000 1.107 387 N CA 0.695 53.493 53.050 -0.421 0.000 0.707 387 N CB -1.126 36.630 38.487 -1.218 0.000 1.054 387 N HN 0.338 nan 8.380 nan 0.000 0.555 388 Q N 0.227 120.011 119.800 -0.028 0.000 2.641 388 Q HA 0.458 4.798 4.340 -0.000 0.000 0.225 388 Q C -0.752 175.255 176.000 0.010 0.000 1.309 388 Q CA 0.373 56.223 55.803 0.080 0.000 0.935 388 Q CB -0.009 28.893 28.738 0.274 0.000 1.557 388 Q HN 0.411 nan 8.270 nan 0.000 0.563 389 A N 3.697 126.432 122.820 -0.141 0.000 2.768 389 A HA 0.249 4.569 4.320 -0.000 0.000 0.299 389 A C -0.728 176.700 177.584 -0.260 0.000 1.171 389 A CA -0.568 51.185 52.037 -0.474 0.000 0.759 389 A CB 1.001 19.518 19.000 -0.806 0.000 1.267 389 A HN 0.483 nan 8.150 nan 0.000 0.421 390 V N 2.562 122.432 119.914 -0.073 0.000 2.814 390 V HA -0.001 4.119 4.120 -0.000 0.000 0.307 390 V C 0.051 176.141 176.094 -0.007 0.000 1.089 390 V CA 0.485 62.779 62.300 -0.009 0.000 1.212 390 V CB 0.374 32.213 31.823 0.028 0.000 0.912 390 V HN 0.790 nan 8.190 nan 0.000 0.497 391 D N 4.833 125.227 120.400 -0.009 0.000 2.383 391 D HA 0.372 5.012 4.640 -0.000 0.000 0.252 391 D C 0.062 176.466 176.300 0.173 0.000 1.166 391 D CA 0.428 54.461 54.000 0.055 0.000 0.879 391 D CB 1.321 42.097 40.800 -0.040 0.000 1.164 391 D HN 0.813 nan 8.370 nan 0.000 0.462 392 S N 1.258 117.119 115.700 0.267 0.000 2.794 392 S HA 0.757 5.227 4.470 -0.000 0.000 0.299 392 S C -1.115 173.555 174.600 0.116 0.000 1.179 392 S CA -0.917 57.396 58.200 0.188 0.000 0.838 392 S CB 1.758 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 -1.248 119.017 120.300 -0.058 0.000 2.625 393 Y HA 0.718 5.268 4.550 -0.000 0.000 0.338 393 Y C -1.314 174.469 175.900 -0.195 0.000 1.123 393 Y CA -1.307 56.648 58.100 -0.241 0.000 1.046 393 Y CB 0.288 38.445 38.460 -0.505 0.000 1.299 393 Y HN 0.644 nan 8.280 nan 0.000 0.464 394 D N 3.191 123.628 120.400 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 1.617 42.416 40.800 -0.002 0.000 1.143 394 D HN 0.382 nan 8.370 nan 0.000 0.473 395 P HA -0.112 nan 4.420 nan 0.000 0.218 395 P C 0.563 177.918 177.300 0.092 0.000 1.148 395 P CA 0.884 64.066 63.100 0.136 0.000 0.822 395 P CB 0.363 32.096 31.700 0.055 0.000 0.784 396 D N -1.329 119.134 120.400 0.105 0.000 2.348 396 D HA -0.034 4.606 4.640 -0.000 0.000 0.216 396 D C 1.777 178.198 176.300 0.203 0.000 0.970 396 D CA 0.600 54.696 54.000 0.161 0.000 0.889 396 D CB 0.010 40.916 40.800 0.175 0.000 0.912 396 D HN 0.083 nan 8.370 nan 0.000 0.524 397 V N 0.277 120.226 119.914 0.059 0.000 2.672 397 V HA -0.044 4.076 4.120 -0.000 0.000 0.242 397 V C 2.377 178.334 176.094 -0.229 0.000 1.059 397 V CA 0.591 62.817 62.300 -0.122 0.000 1.081 397 V CB -0.031 31.570 31.823 -0.369 0.000 0.752 397 V HN -0.029 nan 8.190 nan 0.000 0.472 398 R N 0.570 120.899 120.500 -0.286 0.000 2.075 398 R HA 0.065 4.405 4.340 -0.000 0.000 0.232 398 R C 0.557 176.717 176.300 -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 -0.671 0.000 0.858 398 R HN 0.450 nan 8.270 nan 0.000 0.435 399 I N 1.431 121.935 120.570 -0.111 0.000 2.411 399 I HA 0.266 4.436 4.170 -0.000 0.000 0.284 399 I C -0.670 175.467 176.117 0.033 0.000 1.012 399 I CA -0.701 60.560 61.300 -0.064 0.000 1.119 399 I CB 1.963 39.928 38.000 -0.059 0.000 1.261 399 I HN 0.002 nan 8.210 nan 0.000 0.448 400 I N 5.941 126.552 120.570 0.068 0.000 2.471 400 I HA 0.080 4.250 4.170 -0.000 0.000 0.286 400 I C 0.617 176.845 176.117 0.186 0.000 1.079 400 I CA 0.285 61.688 61.300 0.173 0.000 1.398 400 I CB 0.485 38.603 38.000 0.197 0.000 1.403 400 I HN 0.627 nan 8.210 nan 0.000 0.530 401 E N 6.678 126.992 120.200 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 55.871 56.400 0.121 0.000 0.748 401 E CB 0.557 30.325 29.700 0.113 0.000 1.206 401 E HN 0.432 nan 8.360 nan 0.000 0.428 402 N N 3.409 122.155 118.700 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 -0.041 53.011 53.050 0.003 0.000 0.995 402 N CB 0.198 38.818 38.487 0.222 0.000 1.324 402 N HN 0.561 nan 8.380 nan 0.000 0.512 403 H N 1.431 120.382 119.070 -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 0.126 29.791 29.762 -0.163 0.000 1.445 403 H HN 0.502 nan 8.280 nan 0.000 0.554 404 G N 1.753 110.337 108.800 -0.360 0.000 2.512 404 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.240 404 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.240 404 G C -0.187 174.466 174.900 -0.412 0.000 1.246 404 G CA 0.181 45.104 45.100 -0.295 0.000 0.919 404 G HN 0.866 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 0.690 5.040 4.350 -0.000 0.000 0.299 405 T C -0.547 174.111 174.700 -0.071 0.000 1.073 405 T CA -0.144 61.873 62.100 -0.139 0.000 0.999 405 T CB 2.337 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 2.278 122.441 120.200 -0.062 0.000 1.964 406 E HA 0.168 4.518 4.350 -0.000 0.000 0.264 406 E C -0.277 176.297 176.600 -0.043 0.000 1.120 406 E CA -0.414 55.957 56.400 -0.048 0.000 1.061 406 E CB 0.074 29.746 29.700 -0.047 0.000 1.190 406 E HN 0.676 nan 8.360 nan 0.000 0.459 407 D N 1.222 121.596 120.400 -0.042 0.000 2.755 407 D HA 0.022 4.662 4.640 -0.000 0.000 0.257 407 D C 0.535 176.804 176.300 -0.051 0.000 1.291 407 D CA -0.251 53.720 54.000 -0.048 0.000 0.836 407 D CB 0.387 41.160 40.800 -0.044 0.000 1.059 407 D HN 0.075 nan 8.370 nan 0.000 0.486 408 E N 0.308 120.482 120.200 -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 29.783 29.700 -0.030 0.000 0.748 408 E HN 0.408 nan 8.360 nan 0.000 0.449 409 L N 2.406 123.597 121.223 -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 -1.965 52.837 54.840 -0.064 0.000 0.816 409 L CB 0.325 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 1.056 119.376 118.700 -0.632 0.000 2.372 411 N HA 0.425 5.165 4.740 -0.000 0.000 0.285 411 N C -1.030 174.103 175.510 -0.627 0.000 1.008 411 N CA -0.476 52.270 53.050 -0.506 0.000 0.880 411 N CB 0.877 39.219 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 0.217 175.795 175.900 -0.536 0.000 1.038 412 Y CA -1.428 56.413 58.100 -0.431 0.000 1.100 412 Y CB 1.146 39.183 38.460 -0.704 0.000 1.281 412 Y HN 0.520 nan 8.280 nan 0.000 0.488 413 C N 0.402 119.396 119.300 -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 0.612 nan 8.230 nan 0.000 0.491 414 F N 1.045 120.985 119.950 -0.017 0.000 2.639 414 F HA 0.802 5.329 4.527 -0.000 0.000 0.339 414 F C -1.976 173.820 175.800 -0.008 0.000 1.071 414 F CA -2.324 55.653 58.000 -0.037 0.000 0.994 414 F CB 0.329 39.301 39.000 -0.047 0.000 1.341 414 F HN 0.392 nan 8.300 nan 0.000 0.498 415 P HA 0.272 nan 4.420 nan 0.000 0.275 415 P C 0.829 178.123 177.300 -0.010 0.000 1.228 415 P CA -0.285 62.895 63.100 0.132 0.000 0.786 415 P CB 0.749 32.544 31.700 0.158 0.000 0.927 416 L N 1.159 122.351 121.223 -0.051 0.000 2.089 416 L HA -0.181 4.159 4.340 -0.000 0.000 0.213 416 L C 2.144 178.632 176.870 -0.636 0.000 1.079 416 L CA 2.227 56.950 54.840 -0.196 0.000 0.758 416 L CB -1.248 40.787 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 0.274 4.234 3.960 -0.000 0.000 0.209 417 G HA3 0.274 4.234 3.960 -0.000 0.000 0.209 417 G C 1.288 175.795 174.900 -0.655 0.000 1.165 417 G CA 0.494 44.582 45.100 -1.687 0.000 0.776 417 G HN 0.553 nan 8.290 nan 0.000 0.541 418 G N -1.683 106.910 108.800 -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 0.096 174.953 174.900 -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 -0.344 119.543 119.914 -0.046 0.000 3.023 419 V HA 0.674 4.794 4.120 -0.000 0.000 0.294 419 V C 0.274 176.427 176.094 0.098 0.000 1.324 419 V CA 0.029 62.358 62.300 0.049 0.000 0.979 419 V CB 1.968 33.819 31.823 0.046 0.000 1.093 419 V HN 0.367 nan 8.190 nan 0.000 0.434 420 I N 2.722 123.364 120.570 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 61.562 61.300 0.122 0.000 1.366 420 I CB 0.797 38.867 38.000 0.116 0.000 1.386 420 I HN 0.618 nan 8.210 nan 0.000 0.483 421 N N 2.826 121.556 118.700 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 53.239 53.050 0.017 0.000 1.035 421 N CB -0.113 38.369 38.487 -0.008 0.000 1.353 421 N HN 0.370 nan 8.380 nan 0.000 0.522 422 T N -1.557 113.024 114.554 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 0.664 120.872 120.200 0.013 0.000 2.210 423 E HA 0.355 4.705 4.350 -0.000 0.000 0.266 423 E C -1.098 175.503 176.600 0.002 0.000 0.883 423 E CA -0.997 55.406 56.400 0.004 0.000 0.761 423 E CB 1.325 31.023 29.700 -0.003 0.000 1.156 423 E HN 0.596 nan 8.360 nan 0.000 0.412 424 T N 4.284 118.838 114.554 -0.000 0.000 2.902 424 T HA 0.234 4.584 4.350 -0.000 0.000 0.301 424 T C 0.195 174.891 174.700 -0.006 0.000 1.012 424 T CA 0.073 62.173 62.100 -0.001 0.000 1.151 424 T CB 0.061 68.929 68.868 -0.001 0.000 0.946 424 T HN 0.367 nan 8.240 nan 0.000 0.542 425 L N 1.842 123.061 121.223 -0.005 0.000 2.303 425 L HA 0.639 4.979 4.340 -0.000 0.000 0.256 425 L C 0.131 176.996 176.870 -0.008 0.000 1.034 425 L CA -1.055 53.776 54.840 -0.015 0.000 0.832 425 L CB 2.570 44.612 42.059 -0.028 0.000 1.403 425 L HN 0.519 nan 8.230 nan 0.000 0.419 426 T N 0.696 115.238 114.554 -0.019 0.000 2.848 426 T HA 0.238 4.588 4.350 -0.000 0.000 0.285 426 T C -0.576 174.108 174.700 -0.027 0.000 0.995 426 T CA -0.575 61.521 62.100 -0.007 0.000 0.970 426 T CB 1.839 70.708 68.868 0.002 0.000 0.976 426 T HN 0.369 nan 8.240 nan 0.000 0.441 427 K N 2.667 123.056 120.400 -0.020 0.000 2.382 427 K HA 0.480 4.800 4.320 -0.000 0.000 0.275 427 K C -0.872 175.717 176.600 -0.019 0.000 1.009 427 K CA -0.214 56.033 56.287 -0.068 0.000 0.970 427 K CB 0.480 32.891 32.500 -0.148 0.000 0.934 427 K HN 0.309 nan 8.250 nan 0.000 0.479 428 V N 1.773 121.679 119.914 -0.013 0.000 3.040 428 V HA 0.608 4.728 4.120 -0.000 0.000 0.312 428 V C -0.607 175.592 176.094 0.175 0.000 1.115 428 V CA -0.749 61.601 62.300 0.083 0.000 0.998 428 V CB 1.910 33.775 31.823 0.069 0.000 1.042 428 V HN 0.903 nan 8.190 nan 0.000 0.433 429 K N 3.611 124.148 120.400 0.229 0.000 2.316 429 K HA 0.896 5.216 4.320 -0.000 0.000 0.251 429 K C -3.047 173.657 176.600 0.174 0.000 0.934 429 K CA -1.872 54.527 56.287 0.186 0.000 0.802 429 K CB 1.638 34.186 32.500 0.079 0.000 1.171 429 K HN 0.506 nan 8.250 nan 0.000 0.426 438 W N 0.138 121.434 121.300 -0.007 0.000 2.936 438 W HA 0.736 5.396 4.660 -0.000 0.000 0.338 438 W C 0.094 176.609 176.519 -0.007 0.000 1.121 438 W CA -0.371 56.969 57.345 -0.009 0.000 1.209 438 W CB 2.031 31.484 29.460 -0.012 0.000 1.420 438 W HN 0.795 nan 8.180 nan 0.000 0.516 439 E N 0.344 120.673 120.200 0.214 0.000 2.256 439 E HA 0.646 4.996 4.350 -0.000 0.000 0.268 439 E C -0.318 176.356 176.600 0.124 0.000 0.877 439 E CA -0.871 55.604 56.400 0.125 0.000 0.757 439 E CB 0.871 30.607 29.700 0.060 0.000 1.183 439 E HN 0.649 nan 8.360 nan 0.000 0.418 440 K N 1.385 121.840 120.400 0.091 0.000 2.469 440 K HA 0.321 4.641 4.320 -0.000 0.000 0.274 440 K C -0.188 176.453 176.600 0.068 0.000 0.983 440 K CA 0.379 56.709 56.287 0.071 0.000 0.974 440 K CB 0.387 32.918 32.500 0.051 0.000 0.913 440 K HN 0.696 nan 8.250 nan 0.000 0.493 441 D N -0.435 120.004 120.400 0.066 0.000 2.252 441 D HA 0.787 5.427 4.640 -0.000 0.000 0.245 441 D C -0.658 175.695 176.300 0.088 0.000 1.009 441 D CA 0.576 54.623 54.000 0.077 0.000 0.870 441 D CB 1.756 42.600 40.800 0.074 0.000 1.251 441 D HN 0.818 nan 8.370 nan 0.000 0.460 446 S N 0.003 115.811 115.700 0.179 0.000 2.672 446 S HA 0.452 4.922 4.470 -0.000 0.000 0.276 446 S C 0.625 175.281 174.600 0.093 0.000 1.207 446 S CA -0.394 57.862 58.200 0.092 0.000 1.002 446 S CB 0.273 63.500 63.200 0.045 0.000 0.998 446 S HN 0.552 nan 8.310 nan 0.000 0.542 447 D N 0.387 120.818 120.400 0.053 0.000 2.269 447 D HA 0.171 4.811 4.640 -0.000 0.000 0.208 447 D C 0.600 176.919 176.300 0.030 0.000 0.963 447 D CA 1.365 55.389 54.000 0.039 0.000 0.864 447 D CB -0.198 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 1.244 121.661 120.400 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 55.479 56.287 0.018 0.000 0.896 448 K CB 0.433 32.936 32.500 0.005 0.000 1.147 448 K HN -0.041 nan 8.250 nan 0.000 0.445 449 N N 1.964 120.682 118.700 0.030 0.000 2.342 449 N HA 0.294 5.034 4.740 -0.000 0.000 0.293 449 N C -1.110 174.412 175.510 0.021 0.000 1.026 449 N CA -0.618 52.454 53.050 0.036 0.000 0.857 449 N CB 2.176 40.700 38.487 0.062 0.000 1.256 449 N HN 0.661 nan 8.380 nan 0.000 0.484 450 E N 1.732 121.945 120.200 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 56.354 56.400 0.024 0.000 0.817 450 E CB 1.334 31.051 29.700 0.028 0.000 1.080 450 E HN 0.419 nan 8.360 nan 0.000 0.397 451 I N 2.581 123.164 120.570 0.022 0.000 2.533 451 I HA 0.314 4.484 4.170 -0.000 0.000 0.290 451 I C -0.482 175.645 176.117 0.018 0.000 1.056 451 I CA -1.121 60.190 61.300 0.019 0.000 1.057 451 I CB 1.863 39.864 38.000 0.002 0.000 1.240 451 I HN 0.292 nan 8.210 nan 0.000 0.423 452 R N 5.611 126.125 120.500 0.024 0.000 2.234 452 R HA 0.483 4.823 4.340 -0.000 0.000 0.324 452 R C -1.564 174.743 176.300 0.012 0.000 1.054 452 R CA -0.210 55.905 56.100 0.025 0.000 0.912 452 R CB 0.927 31.249 30.300 0.037 0.000 1.030 452 R HN 0.419 nan 8.270 nan 0.000 0.455 453 V N 6.012 125.931 119.914 0.009 0.000 2.333 453 V HA 0.742 4.862 4.120 -0.000 0.000 0.274 453 V C 0.809 176.907 176.094 0.007 0.000 1.028 453 V CA 0.660 62.961 62.300 0.001 0.000 0.851 453 V CB 0.298 32.115 31.823 -0.009 0.000 1.000 453 V HN 1.068 nan 8.190 nan 0.000 0.456 454 G N 5.362 114.165 108.800 0.005 0.000 2.396 454 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.254 454 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.254 454 G C -0.614 174.293 174.900 0.012 0.000 1.248 454 G CA -0.756 44.349 45.100 0.008 0.000 1.033 454 G HN 0.552 nan 8.290 nan 0.000 0.502 455 N N 1.089 119.798 118.700 0.015 0.000 2.381 455 N HA 0.356 5.096 4.740 -0.000 0.000 0.254 455 N C 0.734 176.270 175.510 0.044 0.000 1.264 455 N CA 0.287 53.345 53.050 0.014 0.000 0.942 455 N CB 0.220 38.705 38.487 -0.003 0.000 1.190 455 N HN 0.915 nan 8.380 nan 0.000 0.495 456 N N -0.571 118.160 118.700 0.052 0.000 2.408 456 N HA 0.111 4.851 4.740 -0.000 0.000 0.260 456 N C -0.664 174.948 175.510 0.170 0.000 1.242 456 N CA -0.379 52.737 53.050 0.110 0.000 0.959 456 N CB 0.130 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 -0.103 119.884 119.950 0.061 0.000 2.467 457 F HA 0.529 5.056 4.527 -0.000 0.000 0.362 457 F C -0.163 175.659 175.800 0.038 0.000 1.090 457 F CA -0.715 57.309 58.000 0.039 0.000 1.202 457 F CB -0.162 38.861 39.000 0.038 0.000 1.113 457 F HN 0.727 nan 8.300 nan 0.000 0.541 458 A N 7.640 130.030 122.820 -0.716 0.000 2.498 458 A HA 0.806 5.126 4.320 -0.000 0.000 0.298 458 A C -1.251 175.870 177.584 -0.772 0.000 1.075 458 A CA -0.903 50.701 52.037 -0.723 0.000 0.714 458 A CB 1.547 20.196 19.000 -0.584 0.000 1.299 458 A HN 0.668 nan 8.150 nan 0.000 0.407 459 M N 1.441 120.702 119.600 -0.564 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 1.727 34.173 32.600 -0.256 0.000 1.668 459 M HN 0.930 nan 8.290 nan 0.000 0.438 460 E N 2.238 122.415 120.200 -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 2.701 123.183 120.570 -0.147 0.000 2.787 461 I HA 0.233 4.403 4.170 -0.000 0.000 0.294 461 I C -1.757 174.279 176.117 -0.135 0.000 1.365 461 I CA -0.718 60.513 61.300 -0.116 0.000 1.029 461 I CB 1.957 39.909 38.000 -0.081 0.000 1.313 461 I HN 0.402 nan 8.210 nan 0.000 0.431 462 N N 7.597 126.234 118.700 -0.105 0.000 2.767 462 N HA 0.290 5.030 4.740 -0.000 0.000 0.238 462 N C 0.803 176.285 175.510 -0.046 0.000 1.083 462 N CA -0.150 52.847 53.050 -0.088 0.000 0.964 462 N CB 0.506 38.946 38.487 -0.078 0.000 1.252 462 N HN 0.727 nan 8.380 nan 0.000 0.512 463 L N 1.814 123.007 121.223 -0.051 0.000 1.963 463 L HA -0.281 4.059 4.340 -0.000 0.000 0.220 463 L C 1.776 178.653 176.870 0.012 0.000 1.076 463 L CA 1.237 56.065 54.840 -0.020 0.000 0.772 463 L CB -0.435 41.607 42.059 -0.028 0.000 0.892 463 L HN 0.479 nan 8.230 nan 0.000 0.435 464 N N 0.074 118.777 118.700 0.006 0.000 2.069 464 N HA -0.176 4.564 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 1.661 54.730 53.050 0.031 0.000 0.852 464 N CB -0.388 38.097 38.487 -0.004 0.000 1.018 464 N HN 0.368 nan 8.380 nan 0.000 0.423 465 A N 1.720 124.585 122.820 0.074 0.000 1.908 465 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 465 A C 2.124 179.798 177.584 0.149 0.000 1.181 465 A CA 1.284 53.401 52.037 0.133 0.000 0.627 465 A CB -0.543 18.504 19.000 0.079 0.000 0.818 465 A HN 0.282 nan 8.150 nan 0.000 0.445 466 N N 0.158 118.910 118.700 0.085 0.000 2.025 466 N HA -0.144 4.596 4.740 -0.000 0.000 0.194 466 N C 1.822 177.395 175.510 0.106 0.000 1.044 466 N CA 1.740 54.831 53.050 0.069 0.000 0.851 466 N CB -0.469 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 2.505 179.532 176.870 0.261 0.000 1.072 467 L CA 1.417 56.355 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 2.728 179.332 176.519 0.143 0.000 1.217 468 W CA 1.383 58.772 57.345 0.073 0.000 1.257 468 W CB -0.121 29.346 29.460 0.013 0.000 1.145 468 W HN 0.123 nan 8.180 nan 0.000 0.509 469 R N 0.272 120.787 120.500 0.025 0.000 2.080 469 R HA -0.217 4.123 4.340 -0.000 0.000 0.236 469 R C 1.907 178.183 176.300 -0.040 0.000 1.137 469 R CA 2.318 58.353 56.100 -0.107 0.000 0.943 469 R CB -0.708 29.572 30.300 -0.035 0.000 0.846 469 R HN 0.155 nan 8.270 nan 0.000 0.431 470 N N -0.147 118.584 118.700 0.053 0.000 2.137 470 N HA -0.210 4.530 4.740 -0.000 0.000 0.190 470 N C 1.339 176.928 175.510 0.131 0.000 1.017 470 N CA 1.364 54.471 53.050 0.094 0.000 0.859 470 N CB -0.292 38.259 38.487 0.107 0.000 1.002 470 N HN 0.183 nan 8.380 nan 0.000 0.428 471 F N 0.796 120.743 119.950 -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 1.019 59.014 58.000 -0.008 0.000 1.275 471 F CB -0.181 38.844 39.000 0.041 0.000 1.008 471 F HN -0.030 nan 8.300 nan 0.000 0.480 472 L N -1.154 119.906 121.223 -0.273 0.000 2.027 472 L HA -0.220 4.120 4.340 -0.000 0.000 0.206 472 L C 2.327 179.064 176.870 -0.222 0.000 1.074 472 L CA 1.527 56.134 54.840 -0.387 0.000 0.745 472 L CB -1.051 40.725 42.059 -0.471 0.000 0.898 472 L HN 0.177 nan 8.230 nan 0.000 0.433 473 Y N 0.119 120.289 120.300 -0.216 0.000 2.145 473 Y HA -0.307 4.243 4.550 -0.000 0.000 0.286 473 Y C 3.065 178.899 175.900 -0.110 0.000 1.145 473 Y CA 1.794 59.806 58.100 -0.146 0.000 1.148 473 Y CB -0.274 38.115 38.460 -0.118 0.000 0.981 473 Y HN 0.148 nan 8.280 nan 0.000 0.507 474 S N -0.093 115.600 115.700 -0.011 0.000 2.356 474 S HA -0.188 4.282 4.470 -0.000 0.000 0.223 474 S C 1.797 176.427 174.600 0.050 0.000 1.032 474 S CA 1.778 59.971 58.200 -0.012 0.000 1.005 474 S CB -0.435 62.806 63.200 0.068 0.000 0.867 474 S HN 0.619 nan 8.310 nan 0.000 0.449 475 N N 0.048 118.689 118.700 -0.098 0.000 2.395 475 N HA 0.156 4.896 4.740 -0.000 0.000 0.175 475 N C 1.421 176.941 175.510 0.018 0.000 1.029 475 N CA 1.125 54.152 53.050 -0.038 0.000 0.897 475 N CB 0.060 38.274 38.487 -0.455 0.000 0.991 475 N HN 0.439 nan 8.380 nan 0.000 0.441 476 I N 0.610 121.107 120.570 -0.121 0.000 3.345 476 I HA 0.134 4.304 4.170 -0.000 0.000 0.258 476 I C 2.262 178.342 176.117 -0.062 0.000 1.134 476 I CA 0.274 61.531 61.300 -0.071 0.000 1.457 476 I CB -0.521 37.396 38.000 -0.138 0.000 1.425 476 I HN -0.141 nan 8.210 nan 0.000 0.461 477 A N 1.454 124.158 122.820 -0.193 0.000 1.870 477 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 477 A C 2.267 179.634 177.584 -0.361 0.000 1.224 477 A CA 2.137 53.992 52.037 -0.303 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 -2.252 118.671 121.223 -0.499 0.000 2.349 478 L HA -0.205 4.135 4.340 -0.000 0.000 0.220 478 L C 1.998 178.572 176.870 -0.494 0.000 1.130 478 L CA 1.046 55.570 54.840 -0.527 0.000 0.791 478 L CB -0.433 41.270 42.059 -0.593 0.000 0.918 478 L HN 0.544 nan 8.230 nan 0.000 0.444 479 Y N -0.965 119.205 120.300 -0.217 0.000 2.466 479 Y HA 0.175 4.725 4.550 -0.000 0.000 0.272 479 Y C 1.136 176.964 175.900 -0.120 0.000 1.169 479 Y CA -0.642 57.374 58.100 -0.140 0.000 1.285 479 Y CB -0.145 38.274 38.460 -0.069 0.000 1.078 479 Y HN 0.003 nan 8.280 nan 0.000 0.523 480 L N 2.259 123.448 121.223 -0.057 0.000 2.492 480 L HA 0.003 4.343 4.340 -0.000 0.000 0.280 480 L C -1.891 174.920 176.870 -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 -0.105 62.948 63.100 -0.078 0.000 0.776 481 P CB 0.554 32.213 31.700 -0.067 0.000 0.876 482 D N 2.391 122.759 120.400 -0.054 0.000 2.158 482 D HA -0.221 4.419 4.640 -0.000 0.000 0.197 482 D C 1.732 178.003 176.300 -0.048 0.000 0.995 482 D CA 1.436 55.412 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 0.362 120.733 120.400 -0.048 0.000 2.218 483 K HA -0.167 4.153 4.320 -0.000 0.000 0.205 483 K C 1.832 178.382 176.600 -0.084 0.000 1.046 483 K CA 1.056 57.315 56.287 -0.048 0.000 0.933 483 K CB -0.383 32.095 32.500 -0.037 0.000 0.728 483 K HN 0.289 nan 8.250 nan 0.000 0.454 484 L N 0.677 121.808 121.223 -0.153 0.000 2.558 484 L HA 0.096 4.436 4.340 -0.000 0.000 0.225 484 L C 0.886 177.695 176.870 -0.101 0.000 1.128 484 L CA 0.131 54.866 54.840 -0.175 0.000 0.868 484 L CB 0.037 41.903 42.059 -0.322 0.000 1.006 484 L HN 0.096 nan 8.230 nan 0.000 0.454 485 K N -0.064 120.274 120.400 -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 -3.027 117.199 120.300 -0.123 0.000 2.581 486 Y HA 0.402 4.952 4.550 -0.000 0.000 0.337 486 Y C -1.015 174.815 175.900 -0.118 0.000 1.108 486 Y CA -1.171 56.868 58.100 -0.102 0.000 1.033 486 Y CB 0.917 39.325 38.460 -0.087 0.000 1.318 486 Y HN 0.351 nan 8.280 nan 0.000 0.459 487 S N 4.467 120.235 115.700 0.113 0.000 2.565 487 S HA 0.422 4.892 4.470 -0.000 0.000 0.276 487 S C -2.456 172.217 174.600 0.122 0.000 1.326 487 S CA -0.860 57.351 58.200 0.018 0.000 1.045 487 S CB 0.278 63.491 63.200 0.022 0.000 0.918 487 S HN 0.555 nan 8.310 nan 0.000 0.505 488 P HA 0.255 nan 4.420 nan 0.000 0.277 488 P C -0.942 176.387 177.300 0.049 0.000 1.240 488 P CA -0.609 62.526 63.100 0.058 0.000 0.798 488 P CB 0.495 32.191 31.700 -0.007 0.000 0.979 489 S N 1.749 117.481 115.700 0.053 0.000 2.565 489 S HA 0.191 4.661 4.470 -0.000 0.000 0.274 489 S C 0.414 174.992 174.600 -0.036 0.000 1.309 489 S CA -0.636 57.569 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 0.538 nan 8.310 nan 0.000 0.504 490 N N -0.890 117.786 118.700 -0.040 0.000 2.725 490 N HA -0.144 4.596 4.740 -0.000 0.000 0.249 490 N C -1.111 174.367 175.510 -0.053 0.000 1.103 490 N CA 0.589 53.605 53.050 -0.057 0.000 0.707 490 N CB -1.545 36.885 38.487 -0.095 0.000 1.043 490 N HN 0.444 nan 8.380 nan 0.000 0.553 491 V N -0.462 119.432 119.914 -0.033 0.000 2.524 491 V HA 0.559 4.679 4.120 -0.000 0.000 0.297 491 V C 0.603 176.687 176.094 -0.017 0.000 1.035 491 V CA -0.693 61.592 62.300 -0.026 0.000 0.867 491 V CB 1.870 33.681 31.823 -0.020 0.000 1.004 491 V HN 0.335 nan 8.190 nan 0.000 0.426 492 K N 4.673 125.066 120.400 -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 56.618 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 0.321 176.472 176.117 0.056 0.000 1.161 493 I CA -0.636 60.669 61.300 0.009 0.000 1.032 493 I CB 2.261 40.250 38.000 -0.018 0.000 1.244 493 I HN 0.842 nan 8.210 nan 0.000 0.421 494 S N 3.705 119.451 115.700 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 0.726 63.968 63.200 0.070 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 0.007 176.223 176.300 -0.139 0.000 0.989 495 D CA 0.291 54.272 54.000 -0.031 0.000 0.873 495 D CB 0.043 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 0.797 119.421 118.700 -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 51.030 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 0.014 nan 4.420 nan 0.000 0.229 497 P C 0.134 177.281 177.300 -0.255 0.000 1.160 497 P CA 0.783 63.365 63.100 -0.862 0.000 0.777 497 P CB 0.420 31.691 31.700 -0.714 0.000 0.814 498 N N -0.981 117.633 118.700 -0.142 0.000 2.383 498 N HA 0.015 4.755 4.740 -0.000 0.000 0.192 498 N C 0.524 176.033 175.510 -0.002 0.000 1.141 498 N CA 0.546 53.573 53.050 -0.038 0.000 0.851 498 N CB -0.321 38.148 38.487 -0.031 0.000 0.976 498 N HN 0.104 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 -0.439 61.695 62.100 0.056 0.000 1.061 499 T CB 1.264 70.162 68.868 0.049 0.000 1.007 499 T HN 0.145 nan 8.240 nan 0.000 0.502 500 Y N 2.244 122.529 120.300 -0.025 0.000 2.220 500 Y HA -0.078 4.472 4.550 -0.000 0.000 0.291 500 Y C 2.183 178.035 175.900 -0.079 0.000 1.129 500 Y CA 2.083 60.145 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 -0.930 119.481 120.400 0.019 0.000 2.133 501 D HA -0.314 4.326 4.640 -0.000 0.000 0.195 501 D C 2.028 178.220 176.300 -0.178 0.000 0.997 501 D CA 1.861 55.807 54.000 -0.089 0.000 0.840 501 D CB -0.536 40.274 40.800 0.017 0.000 0.947 501 D HN 0.488 nan 8.370 nan 0.000 0.452 502 Y N 0.503 120.688 120.300 -0.192 0.000 2.089 502 Y HA -0.187 4.363 4.550 -0.000 0.000 0.282 502 Y C 2.296 178.040 175.900 -0.260 0.000 1.139 502 Y CA 1.848 59.837 58.100 -0.184 0.000 1.123 502 Y CB -0.376 38.012 38.460 -0.121 0.000 0.980 502 Y HN -0.000 nan 8.280 nan 0.000 0.493 503 M N -0.217 119.263 119.600 -0.200 0.000 2.202 503 M HA -0.235 4.245 4.480 -0.000 0.000 0.262 503 M C 1.791 177.776 176.300 -0.525 0.000 1.063 503 M CA 2.049 57.149 55.300 -0.333 0.000 1.097 503 M CB -0.470 31.983 32.600 -0.245 0.000 1.382 503 M HN 0.308 nan 8.290 nan 0.000 0.413 504 N N 0.383 118.678 118.700 -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 53.622 53.050 -0.766 0.000 0.893 504 N CB 0.244 38.077 38.487 -1.089 0.000 0.980 504 N HN 0.222 nan 8.380 nan 0.000 0.439 505 K N -0.558 119.517 120.400 -0.542 0.000 2.276 505 K HA 0.198 4.518 4.320 -0.000 0.000 0.198 505 K C 0.000 176.377 176.600 -0.373 0.000 1.052 505 K CA -0.161 55.883 56.287 -0.404 0.000 0.984 505 K CB 0.351 32.675 32.500 -0.294 0.000 0.836 505 K HN -0.017 nan 8.250 nan 0.000 0.490 506 R N 1.810 122.000 120.500 -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 -0.626 0.000 0.932 506 R HN 0.014 nan 8.270 nan 0.000 0.409 507 V N 2.811 122.401 119.914 -0.539 0.000 2.612 507 V HA 0.574 4.694 4.120 -0.000 0.000 0.301 507 V C -0.479 175.228 176.094 -0.645 0.000 1.046 507 V CA -0.680 61.274 62.300 -0.576 0.000 0.946 507 V CB 2.041 33.487 31.823 -0.628 0.000 1.003 507 V HN 0.446 nan 8.190 nan 0.000 0.459 508 V N 5.969 125.674 119.914 -0.347 0.000 2.709 508 V HA 0.876 4.996 4.120 -0.000 0.000 0.308 508 V C 0.323 176.427 176.094 0.016 0.000 1.062 508 V CA -0.035 62.140 62.300 -0.208 0.000 0.901 508 V CB 1.685 33.369 31.823 -0.233 0.000 1.003 508 V HN 1.613 nan 8.190 nan 0.000 0.425 509 A N 7.919 130.766 122.820 0.045 0.000 2.404 509 A HA 0.596 4.916 4.320 -0.000 0.000 0.273 509 A C -1.630 176.040 177.584 0.142 0.000 1.144 509 A CA -1.074 51.014 52.037 0.085 0.000 0.806 509 A CB 0.330 19.354 19.000 0.040 0.000 1.080 509 A HN 0.788 nan 8.150 nan 0.000 0.509 510 P HA -0.101 nan 4.420 nan 0.000 0.220 510 P C 1.561 178.896 177.300 0.059 0.000 1.148 510 P CA 1.676 64.874 63.100 0.165 0.000 0.803 510 P CB 0.072 31.690 31.700 -0.136 0.000 0.782 511 G N -0.328 108.494 108.800 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 0.249 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 -0.327 120.927 121.223 0.051 0.000 2.109 512 L HA 0.058 4.398 4.340 -0.000 0.000 0.207 512 L C 0.875 177.789 176.870 0.073 0.000 1.086 512 L CA 0.558 55.440 54.840 0.070 0.000 0.760 512 L CB 0.141 42.227 42.059 0.044 0.000 0.910 512 L HN 0.037 nan 8.230 nan 0.000 0.437 513 V N -0.787 119.138 119.914 0.017 0.000 2.468 513 V HA 0.221 4.341 4.120 -0.000 0.000 0.256 513 V C -0.405 175.608 176.094 -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 0.554 120.809 120.400 -0.240 0.000 2.383 514 D HA 0.129 4.769 4.640 -0.000 0.000 0.248 514 D C 1.507 177.517 176.300 -0.482 0.000 1.170 514 D CA -0.010 53.720 54.000 -0.450 0.000 0.977 514 D CB 2.249 42.627 40.800 -0.703 0.000 1.120 514 D HN 0.537 nan 8.370 nan 0.000 0.481 515 C N 0.652 119.724 119.300 -0.381 0.000 2.400 515 C HA -0.161 4.299 4.460 -0.000 0.000 0.291 515 C C 1.905 176.967 174.990 0.120 0.000 1.372 515 C CA 0.186 59.162 59.018 -0.070 0.000 1.800 515 C CB -2.138 25.721 27.740 0.198 0.000 1.869 515 C HN 0.612 nan 8.230 nan 0.000 0.533 516 Y N -1.144 119.262 120.300 0.176 0.000 2.532 516 Y HA 0.592 5.142 4.550 -0.000 0.000 0.283 516 Y C 0.788 176.759 175.900 0.120 0.000 1.181 516 Y CA -2.166 56.018 58.100 0.141 0.000 1.256 516 Y CB -1.084 37.432 38.460 0.094 0.000 1.112 516 Y HN 0.176 nan 8.280 nan 0.000 0.521 517 I N 3.444 124.094 120.570 0.134 0.000 2.533 517 I HA 0.035 4.205 4.170 -0.000 0.000 0.284 517 I C 0.168 176.388 176.117 0.172 0.000 1.109 517 I CA 0.160 61.559 61.300 0.164 0.000 1.412 517 I CB -0.403 37.645 38.000 0.080 0.000 1.396 517 I HN 0.526 nan 8.210 nan 0.000 0.543 518 N N 5.546 124.325 118.700 0.132 0.000 2.698 518 N HA -0.245 4.495 4.740 -0.000 0.000 0.258 518 N C -0.081 175.483 175.510 0.090 0.000 0.978 518 N CA 0.502 53.593 53.050 0.070 0.000 0.777 518 N CB -0.909 37.620 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 0.014 4.354 4.340 -0.000 0.000 0.279 519 L C 1.657 178.556 176.870 0.048 0.000 1.227 519 L CA 1.213 56.108 54.840 0.091 0.000 0.900 519 L CB 0.086 42.199 42.059 0.090 0.000 1.144 519 L HN 0.646 nan 8.230 nan 0.000 0.496 520 G N 2.627 111.459 108.800 0.052 0.000 2.162 520 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.260 520 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.260 520 G C 0.162 175.090 174.900 0.046 0.000 0.976 520 G CA 0.153 45.276 45.100 0.039 0.000 0.655 520 G HN 0.999 nan 8.290 nan 0.000 0.533 521 A N -0.670 122.190 122.820 0.067 0.000 2.322 521 A HA 0.899 5.219 4.320 -0.000 0.000 0.327 521 A C 0.362 178.035 177.584 0.149 0.000 1.134 521 A CA -0.165 51.925 52.037 0.089 0.000 0.831 521 A CB 1.043 20.075 19.000 0.054 0.000 1.288 521 A HN 0.688 nan 8.150 nan 0.000 0.472 522 R N 1.474 122.079 120.500 0.176 0.000 2.575 522 R HA 0.292 4.632 4.340 -0.000 0.000 0.281 522 R C -1.596 174.868 176.300 0.273 0.000 1.272 522 R CA -0.169 56.036 56.100 0.175 0.000 1.417 522 R CB 0.425 30.790 30.300 0.109 0.000 1.121 522 R HN 0.773 nan 8.270 nan 0.000 0.583 523 W N 3.517 124.826 121.300 0.015 0.000 2.998 523 W HA 0.266 4.926 4.660 -0.000 0.000 0.335 523 W C -1.057 175.457 176.519 -0.009 0.000 1.110 523 W CA -0.648 56.695 57.345 -0.003 0.000 1.230 523 W CB 2.213 31.676 29.460 0.005 0.000 1.405 523 W HN 0.487 nan 8.180 nan 0.000 0.493 524 S N 4.808 120.192 115.700 -0.527 0.000 2.537 524 S HA 0.490 4.960 4.470 -0.000 0.000 0.275 524 S C -0.179 174.150 174.600 -0.450 0.000 1.272 524 S CA -0.695 57.262 58.200 -0.405 0.000 1.050 524 S CB 1.398 64.344 63.200 -0.423 0.000 0.961 524 S HN 0.439 nan 8.310 nan 0.000 0.496 525 L N 2.813 123.963 121.223 -0.122 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 0.020 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 1.622 177.899 176.300 -0.039 0.000 0.971 526 D CA 1.414 55.374 54.000 -0.067 0.000 0.867 526 D CB 0.123 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 -0.606 119.076 119.600 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 1.662 122.039 120.400 -0.038 0.000 2.116 529 D HA -0.156 4.484 4.640 -0.000 0.000 0.193 529 D C 1.098 177.496 176.300 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 0.031 4.771 4.740 -0.000 0.000 0.200 530 N C -0.457 175.266 175.510 0.356 0.000 1.135 530 N CA 0.016 53.269 53.050 0.339 0.000 0.835 530 N CB 0.945 39.574 38.487 0.236 0.000 0.989 530 N HN 0.012 nan 8.380 nan 0.000 0.478 531 V N 1.680 121.703 119.914 0.180 0.000 2.407 531 V HA 0.117 4.237 4.120 -0.000 0.000 0.278 531 V C 0.586 176.526 176.094 -0.255 0.000 1.037 531 V CA -1.152 61.177 62.300 0.049 0.000 0.900 531 V CB 1.337 33.173 31.823 0.021 0.000 0.983 531 V HN 0.179 nan 8.190 nan 0.000 0.459 532 N N 7.752 126.187 118.700 -0.442 0.000 2.386 532 N HA 0.024 4.764 4.740 -0.000 0.000 0.273 532 N C -1.439 173.767 175.510 -0.507 0.000 1.331 532 N CA -1.199 51.285 53.050 -0.944 0.000 0.891 532 N CB 1.420 39.693 38.487 -0.356 0.000 1.139 532 N HN 0.339 nan 8.380 nan 0.000 0.487 533 P HA -0.032 nan 4.420 nan 0.000 0.225 533 P C 0.850 177.797 177.300 -0.589 0.000 1.156 533 P CA 0.983 63.640 63.100 -0.739 0.000 0.787 533 P CB 0.002 30.964 31.700 -1.230 0.000 0.802 534 F N -0.202 119.721 119.950 -0.046 0.000 2.367 534 F HA 0.023 4.550 4.527 -0.000 0.000 0.298 534 F C 1.103 176.951 175.800 0.080 0.000 1.094 534 F CA 0.401 58.445 58.000 0.073 0.000 1.409 534 F CB -1.148 37.914 39.000 0.105 0.000 1.064 534 F HN -0.153 nan 8.300 nan 0.000 0.528 535 N N 1.460 120.276 118.700 0.193 0.000 2.671 535 N HA 0.006 4.746 4.740 -0.000 0.000 0.274 535 N C -0.655 174.980 175.510 0.208 0.000 1.188 535 N CA 0.431 53.603 53.050 0.204 0.000 1.065 535 N CB -0.487 38.125 38.487 0.208 0.000 1.415 535 N HN 0.306 nan 8.380 nan 0.000 0.511 536 H N 0.549 119.652 119.070 0.055 0.000 3.064 536 H HA 0.029 4.585 4.556 -0.000 0.000 0.352 536 H C 0.767 176.147 175.328 0.087 0.000 1.260 536 H CA -0.380 55.620 56.048 -0.079 0.000 1.160 536 H CB 1.204 30.711 29.762 -0.426 0.000 1.879 536 H HN 0.506 nan 8.280 nan 0.000 0.544 537 H N 2.324 121.438 119.070 0.073 0.000 2.546 537 H HA 0.070 4.626 4.556 -0.000 0.000 0.277 537 H C 0.505 176.023 175.328 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 0.940 121.468 120.500 0.047 0.000 2.388 538 R HA 0.033 4.373 4.340 -0.000 0.000 0.247 538 R C 0.117 176.424 176.300 0.011 0.000 0.931 538 R CA -0.242 55.844 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 1.203 119.940 118.700 0.062 0.000 2.415 539 N HA 0.050 4.790 4.740 -0.000 0.000 0.250 539 N C 0.698 176.230 175.510 0.035 0.000 1.127 539 N CA -0.015 53.081 53.050 0.076 0.000 0.945 539 N CB 1.267 39.840 38.487 0.143 0.000 1.196 539 N HN 0.104 nan 8.380 nan 0.000 0.499 540 A N 3.712 126.564 122.820 0.054 0.000 1.908 540 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 540 A C 1.979 179.608 177.584 0.074 0.000 1.181 540 A CA 1.940 54.029 52.037 0.087 0.000 0.627 540 A CB -1.138 17.947 19.000 0.142 0.000 0.818 540 A HN 0.666 nan 8.150 nan 0.000 0.445 541 G N -0.123 108.695 108.800 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 1.513 176.359 174.900 -0.089 0.000 1.183 541 G CA 1.299 46.314 45.100 -0.141 0.000 0.776 541 G HN 0.652 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 0.130 4.470 4.340 -0.000 0.000 0.207 542 L C 2.667 179.491 176.870 -0.077 0.000 1.078 542 L CA 2.163 56.996 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 -1.675 118.713 120.500 -0.187 0.000 2.083 543 R HA -0.273 4.067 4.340 -0.000 0.000 0.237 543 R C 2.432 178.641 176.300 -0.153 0.000 1.137 543 R CA 2.157 57.994 56.100 -0.439 0.000 0.951 543 R CB -0.713 29.311 30.300 -0.459 0.000 0.851 543 R HN 0.580 nan 8.270 nan 0.000 0.434 544 Y N 0.759 120.970 120.300 -0.149 0.000 2.181 544 Y HA -0.173 4.377 4.550 -0.000 0.000 0.288 544 Y C 2.125 177.977 175.900 -0.080 0.000 1.146 544 Y CA 1.738 59.787 58.100 -0.084 0.000 1.164 544 Y CB -0.008 38.386 38.460 -0.110 0.000 0.982 544 Y HN -0.020 nan 8.280 nan 0.000 0.515 545 R N -0.579 119.886 120.500 -0.058 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 1.238 57.277 56.100 -0.102 0.000 0.976 545 R CB -0.476 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 0.294 115.986 115.700 -0.014 0.000 2.368 546 S HA -0.112 4.358 4.470 -0.000 0.000 0.224 546 S C 1.877 176.529 174.600 0.086 0.000 1.029 546 S CA 1.106 59.361 58.200 0.092 0.000 0.988 546 S CB 0.028 63.417 63.200 0.315 0.000 0.838 546 S HN 0.207 nan 8.310 nan 0.000 0.462 547 M N 0.437 120.053 119.600 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 0.589 55.900 55.300 0.018 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 0.501 121.598 121.223 -0.210 0.000 2.127 548 L HA -0.153 4.187 4.340 -0.000 0.000 0.211 548 L C 2.014 178.854 176.870 -0.049 0.000 1.089 548 L CA 1.840 56.550 54.840 -0.216 0.000 0.757 548 L CB -0.638 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 -0.382 41.684 42.059 0.011 0.000 0.932 549 L HN 0.443 nan 8.230 nan 0.000 0.447 550 G N 0.110 108.941 108.800 0.051 0.000 2.334 550 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.315 550 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.315 550 G C -0.480 174.520 174.900 0.167 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 0.074 118.886 118.700 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 0.790 54.007 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 1.120 nan 8.380 nan 0.000 0.507 552 G N -0.117 108.835 108.800 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 0.401 175.321 174.900 0.033 0.000 1.170 552 G CA -0.733 44.479 45.100 0.186 0.000 0.943 552 G HN 0.026 nan 8.290 nan 0.000 0.483 553 R N -0.297 120.168 120.500 -0.059 0.000 2.080 553 R HA -0.089 4.251 4.340 -0.000 0.000 0.236 553 R C -0.087 175.965 176.300 -0.414 0.000 1.137 553 R CA 1.116 57.011 56.100 -0.341 0.000 0.943 553 R CB -0.293 29.633 30.300 -0.624 0.000 0.846 553 R HN 0.521 nan 8.270 nan 0.000 0.431 554 Y N 0.190 120.482 120.300 -0.013 0.000 2.365 554 Y HA 0.297 4.847 4.550 -0.000 0.000 0.340 554 Y C -0.387 175.514 175.900 0.003 0.000 1.016 554 Y CA -0.651 57.443 58.100 -0.010 0.000 1.196 554 Y CB 1.398 39.864 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 0.417 4.537 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 -2.165 60.227 62.300 0.153 0.000 0.874 555 V CB 2.191 34.077 31.823 0.105 0.000 1.002 555 V HN 0.508 nan 8.190 nan 0.000 0.424 556 P HA 0.481 nan 4.420 nan 0.000 0.293 556 P C -1.038 176.351 177.300 0.148 0.000 1.300 556 P CA -0.198 62.941 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 0.125 120.148 119.950 0.121 0.000 2.556 557 F HA 0.673 5.200 4.527 -0.000 0.000 0.327 557 F C -0.569 175.332 175.800 0.169 0.000 1.059 557 F CA -1.120 56.981 58.000 0.169 0.000 0.953 557 F CB 1.741 40.908 39.000 0.278 0.000 1.227 557 F HN 0.358 nan 8.300 nan 0.000 0.478 558 H N 3.859 123.073 119.070 0.239 0.000 3.108 558 H HA 0.622 5.178 4.556 -0.000 0.000 0.329 558 H C -1.364 174.023 175.328 0.100 0.000 0.978 558 H CA -0.884 55.226 56.048 0.103 0.000 1.413 558 H CB 1.476 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 0.182 0.000 3.145 559 I HA 0.527 4.697 4.170 -0.000 0.000 0.313 559 I C -1.572 174.465 176.117 -0.132 0.000 1.122 559 I CA -1.264 59.976 61.300 -0.100 0.000 0.987 559 I CB 2.718 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 -1.243 174.864 176.000 0.179 0.000 1.022 560 Q CA -0.522 55.266 55.803 -0.025 0.000 0.773 560 Q CB 2.526 31.011 28.738 -0.423 0.000 1.251 560 Q HN 0.551 nan 8.270 nan 0.000 0.457 561 V N 4.239 124.297 119.914 0.240 0.000 2.435 561 V HA 0.622 4.742 4.120 -0.000 0.000 0.290 561 V C -2.221 174.022 176.094 0.247 0.000 1.030 561 V CA -1.966 60.473 62.300 0.233 0.000 0.881 561 V CB 1.482 33.359 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 -0.793 62.080 63.100 -0.378 0.000 0.844 562 P CB 1.086 32.258 31.700 -0.881 0.000 1.068 563 Q N 1.356 120.988 119.800 -0.280 0.000 2.294 563 Q HA 0.179 4.519 4.340 -0.000 0.000 0.257 563 Q C 0.276 176.129 176.000 -0.244 0.000 0.955 563 Q CA 0.606 56.278 55.803 -0.220 0.000 0.936 563 Q CB 0.751 29.361 28.738 -0.214 0.000 1.188 563 Q HN 0.271 nan 8.270 nan 0.000 0.420 564 K N 3.330 123.627 120.400 -0.172 0.000 2.370 564 K HA 0.153 4.473 4.320 -0.000 0.000 0.194 564 K C -0.221 176.275 176.600 -0.172 0.000 1.070 564 K CA -0.259 55.798 56.287 -0.383 0.000 0.998 564 K CB 0.292 32.372 32.500 -0.701 0.000 0.911 564 K HN 0.494 nan 8.250 nan 0.000 0.533 565 F N 2.807 122.650 119.950 -0.179 0.000 2.580 565 F HA -0.148 4.379 4.527 -0.000 0.000 0.398 565 F C 1.082 176.872 175.800 -0.016 0.000 1.023 565 F CA -0.867 57.130 58.000 -0.005 0.000 1.188 565 F CB 0.195 39.351 39.000 0.260 0.000 1.005 565 F HN 0.070 nan 8.300 nan 0.000 0.546 566 F N 4.380 123.945 119.950 -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 -0.477 0.000 1.089 566 F CA 1.326 59.050 58.000 -0.461 0.000 1.282 566 F CB -1.195 37.618 39.000 -0.310 0.000 1.010 566 F HN 0.382 nan 8.300 nan 0.000 0.485 567 A N 1.056 122.923 122.820 -1.588 0.000 2.119 567 A HA 0.079 4.399 4.320 -0.000 0.000 0.217 567 A C 2.060 179.327 177.584 -0.528 0.000 1.153 567 A CA 1.527 52.990 52.037 -0.957 0.000 0.692 567 A CB -1.134 17.437 19.000 -0.715 0.000 0.799 567 A HN 0.760 nan 8.150 nan 0.000 0.458 568 I N -4.044 116.311 120.570 -0.358 0.000 4.456 568 I HA 0.157 4.327 4.170 -0.000 0.000 0.329 568 I C 1.721 177.639 176.117 -0.333 0.000 1.313 568 I CA 0.506 61.641 61.300 -0.275 0.000 1.205 568 I CB -0.030 37.944 38.000 -0.043 0.000 1.179 568 I HN 0.155 nan 8.210 nan 0.000 0.419 569 K N 2.191 122.408 120.400 -0.305 0.000 2.113 569 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 569 K C 0.632 177.078 176.600 -0.257 0.000 1.047 569 K CA 2.506 58.648 56.287 -0.241 0.000 0.928 569 K CB -0.690 31.719 32.500 -0.153 0.000 0.716 569 K HN 0.502 nan 8.250 nan 0.000 0.446 570 N N 0.229 118.692 118.700 -0.396 0.000 2.177 570 N HA 0.143 4.883 4.740 -0.000 0.000 0.218 570 N C -0.834 174.535 175.510 -0.235 0.000 1.182 570 N CA -0.512 52.389 53.050 -0.249 0.000 0.882 570 N CB 0.609 39.048 38.487 -0.080 0.000 1.052 570 N HN 0.035 nan 8.380 nan 0.000 0.519 571 L N 1.512 122.490 121.223 -0.408 0.000 2.490 571 L HA 0.200 4.540 4.340 -0.000 0.000 0.274 571 L C -0.426 176.391 176.870 -0.088 0.000 1.201 571 L CA -0.155 54.571 54.840 -0.189 0.000 0.869 571 L CB 0.469 42.375 42.059 -0.256 0.000 1.123 571 L HN 0.071 nan 8.230 nan 0.000 0.484 572 L N 5.812 127.042 121.223 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 54.643 54.840 -0.023 0.000 0.824 572 L CB 0.794 42.862 42.059 0.015 0.000 1.206 572 L HN 0.616 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 -0.208 176.644 176.870 -0.029 0.000 1.092 573 L CA 0.373 55.116 54.840 -0.161 0.000 0.831 573 L CB 0.625 42.491 42.059 -0.321 0.000 1.159 573 L HN 0.540 nan 8.230 nan 0.000 0.442 574 L N 5.850 127.095 121.223 0.036 0.000 2.479 574 L HA 0.443 4.783 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 52.818 54.840 0.113 0.000 0.811 574 L CB 0.035 42.146 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 -0.155 177.235 177.300 0.150 0.000 1.209 575 P CA 0.236 63.439 63.100 0.172 0.000 0.776 575 P CB 0.703 32.456 31.700 0.088 0.000 0.876 576 G N 0.338 109.179 108.800 0.070 0.000 2.368 576 G HA2 0.221 4.181 3.960 -0.000 0.000 0.302 576 G HA3 0.221 4.181 3.960 -0.000 0.000 0.302 576 G C -1.477 173.192 174.900 -0.384 0.000 1.329 576 G CA -0.613 44.361 45.100 -0.209 0.000 0.935 576 G HN 0.377 nan 8.290 nan 0.000 0.590 577 S N -0.189 115.185 115.700 -0.542 0.000 2.451 577 S HA 0.805 5.275 4.470 -0.000 0.000 0.301 577 S C -1.231 173.019 174.600 -0.584 0.000 1.116 577 S CA -0.340 57.642 58.200 -0.365 0.000 1.093 577 S CB 0.677 63.792 63.200 -0.140 0.000 1.017 577 S HN 0.484 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 -1.087 57.031 58.100 0.031 0.000 1.051 578 Y CB 1.255 39.717 38.460 0.003 0.000 1.259 578 Y HN 0.320 nan 8.280 nan 0.000 0.468 579 T N 2.717 117.430 114.554 0.264 0.000 2.738 579 T HA 0.193 4.543 4.350 -0.000 0.000 0.298 579 T C -1.593 173.322 174.700 0.359 0.000 0.962 579 T CA -0.226 62.019 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 0.235 0.000 2.328 580 Y HA 0.515 5.065 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 -1.753 56.534 58.100 0.311 0.000 1.167 580 Y CB 0.876 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 6.100 126.464 120.200 0.275 0.000 2.314 581 E HA 0.334 4.684 4.350 -0.000 0.000 0.272 581 E C -1.926 174.728 176.600 0.089 0.000 0.884 581 E CA -0.542 55.940 56.400 0.137 0.000 0.753 581 E CB 1.672 31.398 29.700 0.043 0.000 1.213 581 E HN 0.694 nan 8.360 nan 0.000 0.432 582 W N 2.583 123.749 121.300 -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 -0.418 0.000 1.239 582 W CA -0.632 56.468 57.345 -0.409 0.000 1.176 582 W CB 2.227 31.284 29.460 -0.671 0.000 1.433 582 W HN 0.529 nan 8.180 nan 0.000 0.562 583 N N 2.164 120.608 118.700 -0.427 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 52.690 53.050 -0.180 0.000 0.886 583 N CB 1.685 40.033 38.487 -0.232 0.000 1.185 583 N HN 0.036 nan 8.380 nan 0.000 0.487 584 F N 0.635 120.749 119.950 0.274 0.000 2.520 584 F HA 0.459 4.986 4.527 -0.000 0.000 0.322 584 F C 1.024 177.028 175.800 0.339 0.000 1.103 584 F CA -0.878 57.231 58.000 0.182 0.000 0.926 584 F CB 1.338 40.254 39.000 -0.141 0.000 1.154 584 F HN 0.085 nan 8.300 nan 0.000 0.453 585 R N 1.455 122.134 120.500 0.299 0.000 2.582 585 R HA 0.300 4.640 4.340 -0.000 0.000 0.271 585 R C 0.622 177.205 176.300 0.472 0.000 1.078 585 R CA -0.205 56.047 56.100 0.253 0.000 1.127 585 R CB 0.859 31.124 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 56.411 56.287 0.340 0.000 1.014 586 K CB 0.602 33.290 32.500 0.313 0.000 0.966 586 K HN 0.484 nan 8.250 nan 0.000 0.566 587 D N 1.993 122.572 120.400 0.297 0.000 2.389 587 D HA -0.053 4.587 4.640 -0.000 0.000 0.263 587 D C 1.386 177.790 176.300 0.173 0.000 1.255 587 D CA -0.035 54.130 54.000 0.275 0.000 0.914 587 D CB 1.193 42.171 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 1.428 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 -0.237 118.511 118.700 0.079 0.000 2.453 589 N HA 0.016 4.756 4.740 -0.000 0.000 0.183 589 N C 1.567 177.194 175.510 0.196 0.000 1.041 589 N CA 1.545 54.639 53.050 0.074 0.000 0.900 589 N CB -0.153 38.354 38.487 0.033 0.000 0.961 589 N HN 0.488 nan 8.380 nan 0.000 0.443 590 M N -0.764 118.948 119.600 0.188 0.000 2.557 590 M HA 0.097 4.577 4.480 -0.000 0.000 0.262 590 M C 2.088 178.479 176.300 0.153 0.000 1.168 590 M CA 0.616 56.023 55.300 0.177 0.000 1.194 590 M CB -0.830 31.835 32.600 0.109 0.000 1.311 590 M HN 0.018 nan 8.290 nan 0.000 0.489 591 V N -0.729 119.278 119.914 0.155 0.000 2.871 591 V HA 0.135 4.255 4.120 -0.000 0.000 0.256 591 V C 0.953 177.134 176.094 0.146 0.000 1.082 591 V CA 0.538 62.966 62.300 0.213 0.000 1.105 591 V CB -0.353 31.645 31.823 0.291 0.000 0.713 591 V HN 0.203 nan 8.190 nan 0.000 0.473 592 L N 0.922 122.156 121.223 0.018 0.000 2.322 592 L HA 0.639 4.979 4.340 -0.000 0.000 0.269 592 L C -0.387 176.459 176.870 -0.041 0.000 1.012 592 L CA -0.463 54.321 54.840 -0.093 0.000 0.815 592 L CB 1.745 43.682 42.059 -0.202 0.000 1.295 592 L HN 0.276 nan 8.230 nan 0.000 0.438 593 Q N 1.119 120.885 119.800 -0.056 0.000 2.331 593 Q HA 0.558 4.898 4.340 -0.000 0.000 0.272 593 Q C -1.528 174.457 176.000 -0.024 0.000 1.062 593 Q CA -0.560 55.224 55.803 -0.033 0.000 0.806 593 Q CB 2.520 31.268 28.738 0.015 0.000 1.312 593 Q HN 0.775 nan 8.270 nan 0.000 0.431 594 S N 0.793 116.472 115.700 -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 1.684 64.873 63.200 -0.019 0.000 1.089 594 S HN 0.733 nan 8.310 nan 0.000 0.496 595 S N 0.854 116.642 115.700 0.147 0.000 2.436 595 S HA 0.005 4.475 4.470 -0.000 0.000 0.228 595 S C 1.374 176.080 174.600 0.176 0.000 1.014 595 S CA 0.269 58.588 58.200 0.199 0.000 0.950 595 S CB -0.545 62.842 63.200 0.313 0.000 0.784 595 S HN 0.490 nan 8.310 nan 0.000 0.504 596 L N 1.557 122.850 121.223 0.116 0.000 2.375 596 L HA 0.373 4.713 4.340 -0.000 0.000 0.215 596 L C 1.949 178.848 176.870 0.049 0.000 1.108 596 L CA 1.139 56.030 54.840 0.084 0.000 0.830 596 L CB -1.467 40.631 42.059 0.065 0.000 0.959 596 L HN 0.597 nan 8.230 nan 0.000 0.457 597 G N 0.354 109.137 108.800 -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 0.334 119.000 118.700 -0.056 0.000 2.260 598 N HA 0.222 4.962 4.740 -0.000 0.000 0.230 598 N C -0.391 175.077 175.510 -0.069 0.000 1.323 598 N CA 0.080 53.119 53.050 -0.018 0.000 0.897 598 N CB 0.547 39.069 38.487 0.058 0.000 1.146 598 N HN 0.117 nan 8.380 nan 0.000 0.460 599 D N 0.279 120.656 120.400 -0.039 0.000 2.402 599 D HA 0.118 4.758 4.640 -0.000 0.000 0.235 599 D C 1.110 177.386 176.300 -0.041 0.000 1.226 599 D CA -0.302 53.664 54.000 -0.055 0.000 0.918 599 D CB -0.089 40.691 40.800 -0.034 0.000 1.043 599 D HN 0.478 nan 8.370 nan 0.000 0.506 600 L N 3.571 124.758 121.223 -0.060 0.000 2.265 600 L HA -0.148 4.192 4.340 -0.000 0.000 0.215 600 L C 2.422 179.281 176.870 -0.018 0.000 1.117 600 L CA 0.680 55.492 54.840 -0.047 0.000 0.782 600 L CB -0.226 41.794 42.059 -0.065 0.000 0.914 600 L HN 0.343 nan 8.230 nan 0.000 0.441 601 R N -0.497 120.004 120.500 0.001 0.000 2.066 601 R HA -0.078 4.262 4.340 -0.000 0.000 0.232 601 R C 2.200 178.514 176.300 0.023 0.000 1.131 601 R CA 1.094 57.213 56.100 0.031 0.000 0.955 601 R CB -0.838 29.502 30.300 0.066 0.000 0.851 601 R HN 0.179 nan 8.270 nan 0.000 0.432 602 V N 2.237 122.160 119.914 0.015 0.000 2.453 602 V HA -0.143 3.977 4.120 -0.000 0.000 0.247 602 V C 0.945 177.044 176.094 0.009 0.000 1.048 602 V CA 1.684 63.993 62.300 0.015 0.000 1.049 602 V CB -0.369 31.461 31.823 0.012 0.000 0.672 602 V HN 0.197 nan 8.190 nan 0.000 0.457 603 D N 0.248 120.648 120.400 -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 0.949 54.942 54.000 -0.011 0.000 0.884 603 D CB -0.102 40.692 40.800 -0.010 0.000 0.906 603 D HN 0.493 nan 8.370 nan 0.000 0.520 604 G N 0.273 109.065 108.800 -0.014 0.000 2.155 604 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.257 604 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.257 604 G C 0.604 175.489 174.900 -0.025 0.000 0.983 604 G CA 0.273 45.365 45.100 -0.013 0.000 0.676 604 G HN 0.621 nan 8.290 nan 0.000 0.528 605 A N -0.530 122.265 122.820 -0.041 0.000 2.407 605 A HA 0.766 5.086 4.320 -0.000 0.000 0.248 605 A C 0.637 178.198 177.584 -0.039 0.000 1.082 605 A CA 1.083 53.082 52.037 -0.063 0.000 0.785 605 A CB 0.964 19.909 19.000 -0.092 0.000 1.020 605 A HN 1.477 nan 8.150 nan 0.000 0.489 606 S N 0.448 116.122 115.700 -0.043 0.000 2.564 606 S HA 0.745 5.215 4.470 -0.000 0.000 0.274 606 S C -1.176 173.401 174.600 -0.038 0.000 1.124 606 S CA -0.481 57.706 58.200 -0.022 0.000 0.869 606 S CB 0.939 64.144 63.200 0.008 0.000 1.105 606 S HN 0.889 nan 8.310 nan 0.000 0.472 607 I N 3.318 123.857 120.570 -0.051 0.000 2.644 607 I HA 0.528 4.698 4.170 -0.000 0.000 0.291 607 I C -1.575 174.441 176.117 -0.168 0.000 1.180 607 I CA -0.506 60.744 61.300 -0.085 0.000 1.040 607 I CB 1.717 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 6.689 127.005 120.400 -0.140 0.000 2.443 608 K HA 0.470 4.790 4.320 -0.000 0.000 0.252 608 K C -2.111 174.369 176.600 -0.200 0.000 0.933 608 K CA -0.492 55.691 56.287 -0.175 0.000 0.792 608 K CB 1.440 33.909 32.500 -0.052 0.000 1.185 608 K HN 0.326 nan 8.250 nan 0.000 0.425 609 F N 3.322 123.293 119.950 0.035 0.000 2.404 609 F HA 0.218 4.745 4.527 -0.000 0.000 0.358 609 F C 0.857 176.576 175.800 -0.135 0.000 1.120 609 F CA -0.614 57.301 58.000 -0.141 0.000 1.144 609 F CB 1.307 40.028 39.000 -0.465 0.000 1.133 609 F HN 0.662 nan 8.300 nan 0.000 0.495 610 D N 0.584 120.986 120.400 0.004 0.000 2.262 610 D HA 0.014 4.654 4.640 -0.000 0.000 0.212 610 D C 0.496 176.785 176.300 -0.017 0.000 0.964 610 D CA 0.977 54.965 54.000 -0.019 0.000 0.875 610 D CB 0.430 41.178 40.800 -0.086 0.000 0.996 610 D HN 0.427 nan 8.370 nan 0.000 0.497 611 S N -0.422 115.232 115.700 -0.078 0.000 2.542 611 S HA 0.540 5.010 4.470 -0.000 0.000 0.276 611 S C -1.243 173.293 174.600 -0.107 0.000 1.148 611 S CA -1.009 57.156 58.200 -0.059 0.000 0.886 611 S CB 1.681 64.861 63.200 -0.033 0.000 1.109 611 S HN 0.087 nan 8.310 nan 0.000 0.458 612 I N 2.225 122.759 120.570 -0.059 0.000 2.499 612 I HA 0.741 4.911 4.170 -0.000 0.000 0.288 612 I C -1.137 175.124 176.117 0.240 0.000 1.048 612 I CA -0.258 61.026 61.300 -0.027 0.000 1.062 612 I CB 1.078 38.910 38.000 -0.280 0.000 1.238 612 I HN 0.974 nan 8.210 nan 0.000 0.426 613 C N 5.917 125.375 119.300 0.264 0.000 2.630 613 C HA 0.723 5.183 4.460 -0.000 0.000 0.346 613 C C -0.680 174.384 174.990 0.123 0.000 1.245 613 C CA -0.633 58.550 59.018 0.275 0.000 1.804 613 C CB 1.724 29.563 27.740 0.165 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 -1.481 175.242 176.870 -0.245 0.000 0.996 614 L CA -0.032 54.609 54.840 -0.333 0.000 0.825 614 L CB 0.311 41.900 42.059 -0.783 0.000 1.243 614 L HN 0.641 nan 8.230 nan 0.000 0.412 615 Y N 3.610 123.674 120.300 -0.394 0.000 2.420 615 Y HA 0.834 5.383 4.550 -0.000 0.000 0.334 615 Y C 0.211 175.946 175.900 -0.276 0.000 1.094 615 Y CA -0.224 57.641 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 1.516 124.401 122.820 0.110 0.000 2.465 616 A HA 0.675 4.995 4.320 -0.000 0.000 0.292 616 A C -1.104 176.566 177.584 0.144 0.000 1.041 616 A CA -0.706 51.373 52.037 0.070 0.000 0.718 616 A CB 0.909 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 -0.981 173.735 174.700 0.025 0.000 0.995 617 T CA 0.108 62.296 62.100 0.147 0.000 1.009 617 T CB 0.337 69.303 68.868 0.163 0.000 0.955 617 T HN 0.333 nan 8.240 nan 0.000 0.452 618 F N 1.640 121.664 119.950 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 6.153 126.237 119.950 0.224 0.000 2.543 619 F HA 0.291 4.818 4.527 -0.000 0.000 0.375 619 F C -1.660 174.248 175.800 0.179 0.000 1.075 619 F CA -2.126 55.969 58.000 0.158 0.000 1.225 619 F CB 0.740 39.806 39.000 0.111 0.000 1.099 619 F HN 0.216 nan 8.300 nan 0.000 0.561 620 P HA -0.001 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 -0.305 31.325 31.700 -0.117 0.000 1.882 621 M N 1.144 120.998 119.600 0.423 0.000 2.250 621 M HA 0.192 4.672 4.480 -0.000 0.000 0.337 621 M C 0.297 176.798 176.300 0.335 0.000 1.161 621 M CA -0.059 55.543 55.300 0.503 0.000 1.088 621 M CB 0.557 33.437 32.600 0.466 0.000 1.639 621 M HN 0.150 nan 8.290 nan 0.000 0.447 622 A N 4.263 127.245 122.820 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 1.104 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 1.890 177.257 175.328 0.064 0.000 1.097 623 H CA 1.424 57.513 56.048 0.069 0.000 1.311 623 H CB 0.156 29.950 29.762 0.052 0.000 1.377 623 H HN 0.911 nan 8.280 nan 0.000 0.504 624 N N 0.850 119.664 118.700 0.190 0.000 2.084 624 N HA -0.125 4.615 4.740 -0.000 0.000 0.190 624 N C 1.704 177.276 175.510 0.105 0.000 1.030 624 N CA 1.751 54.874 53.050 0.122 0.000 0.849 624 N CB -1.050 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 1.420 116.044 114.554 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 1.996 64.154 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 0.514 nan 8.240 nan 0.000 0.427 626 A N 1.535 124.422 122.820 0.112 0.000 1.892 626 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 626 A C 2.602 180.221 177.584 0.058 0.000 1.188 626 A CA 2.519 54.610 52.037 0.090 0.000 0.631 626 A CB -1.240 17.825 19.000 0.107 0.000 0.822 626 A HN 0.525 nan 8.150 nan 0.000 0.447 627 S N -1.234 114.500 115.700 0.056 0.000 2.370 627 S HA -0.167 4.303 4.470 -0.000 0.000 0.226 627 S C 1.998 176.621 174.600 0.037 0.000 1.033 627 S CA 2.340 60.564 58.200 0.039 0.000 1.011 627 S CB -0.804 62.422 63.200 0.043 0.000 0.852 627 S HN 0.561 nan 8.310 nan 0.000 0.457 628 T N 2.340 116.920 114.554 0.043 0.000 2.777 628 T HA 0.021 4.371 4.350 -0.000 0.000 0.266 628 T C 1.692 176.408 174.700 0.026 0.000 1.040 628 T CA 1.370 63.490 62.100 0.035 0.000 1.141 628 T CB -0.520 68.372 68.868 0.039 0.000 0.868 628 T HN 0.403 nan 8.240 nan 0.000 0.444 629 L N 1.323 122.563 121.223 0.027 0.000 2.083 629 L HA -0.014 4.326 4.340 -0.000 0.000 0.209 629 L C 2.389 179.267 176.870 0.014 0.000 1.083 629 L CA 1.858 56.708 54.840 0.016 0.000 0.752 629 L CB -0.489 41.578 42.059 0.013 0.000 0.899 629 L HN 0.275 nan 8.230 nan 0.000 0.433 630 E N -0.282 119.930 120.200 0.020 0.000 2.031 630 E HA -0.269 4.081 4.350 -0.000 0.000 0.193 630 E C 2.138 178.741 176.600 0.005 0.000 0.994 630 E CA 1.261 57.671 56.400 0.017 0.000 0.800 630 E CB -0.272 29.443 29.700 0.025 0.000 0.752 630 E HN 0.609 nan 8.360 nan 0.000 0.447 631 A N 1.098 123.923 122.820 0.009 0.000 1.903 631 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 631 A C 2.263 179.844 177.584 -0.004 0.000 1.191 631 A CA 2.252 54.291 52.037 0.003 0.000 0.638 631 A CB -0.663 18.344 19.000 0.012 0.000 0.823 631 A HN 0.360 nan 8.150 nan 0.000 0.451 632 M N -0.799 118.801 119.600 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 56.662 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 -0.520 120.697 121.223 -0.011 0.000 2.549 633 L HA -0.123 4.217 4.340 -0.000 0.000 0.229 633 L C 2.264 179.111 176.870 -0.039 0.000 1.158 633 L CA 0.573 55.402 54.840 -0.017 0.000 0.842 633 L CB -0.550 41.503 42.059 -0.010 0.000 0.952 633 L HN 0.284 nan 8.230 nan 0.000 0.452 634 R N -0.337 120.132 120.500 -0.052 0.000 2.276 634 R HA 0.068 4.408 4.340 -0.000 0.000 0.196 634 R C 0.100 176.339 176.300 -0.101 0.000 0.961 634 R CA 0.030 56.065 56.100 -0.108 0.000 1.024 634 R CB -0.018 30.215 30.300 -0.111 0.000 0.940 634 R HN 0.379 nan 8.270 nan 0.000 0.480 635 N N 1.703 120.387 118.700 -0.028 0.000 2.499 635 N HA -0.022 4.718 4.740 -0.000 0.000 0.281 635 N C 0.222 175.782 175.510 0.083 0.000 1.098 635 N CA 0.090 53.155 53.050 0.024 0.000 0.979 635 N CB 1.277 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 -0.455 120.047 120.400 0.171 0.000 2.182 636 D HA -0.211 4.429 4.640 -0.000 0.000 0.201 636 D C 1.623 177.960 176.300 0.063 0.000 0.986 636 D CA 1.470 55.576 54.000 0.176 0.000 0.847 636 D CB -0.296 40.513 40.800 0.016 0.000 0.942 636 D HN 0.603 nan 8.370 nan 0.000 0.467 637 T N -1.210 113.363 114.554 0.032 0.000 2.897 637 T HA -0.155 4.195 4.350 -0.000 0.000 0.271 637 T C 1.080 175.781 174.700 0.001 0.000 1.084 637 T CA 0.931 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 1.850 120.557 118.700 0.011 0.000 2.320 638 N HA 0.201 4.941 4.740 -0.000 0.000 0.237 638 N C -0.947 174.562 175.510 -0.001 0.000 1.129 638 N CA -0.209 52.839 53.050 -0.004 0.000 0.854 638 N CB 0.159 38.642 38.487 -0.006 0.000 1.083 638 N HN 0.480 nan 8.380 nan 0.000 0.504 639 D N 1.305 121.716 120.400 0.017 0.000 2.424 639 D HA 0.060 4.700 4.640 -0.000 0.000 0.244 639 D C 0.657 176.930 176.300 -0.045 0.000 1.134 639 D CA 0.390 54.407 54.000 0.027 0.000 0.881 639 D CB 1.057 41.895 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 -0.257 55.435 55.803 -0.186 0.000 0.896 640 Q CB 1.043 29.742 28.738 -0.065 0.000 1.241 640 Q HN 0.505 nan 8.270 nan 0.000 0.485 641 S N 0.508 115.791 115.700 -0.695 0.000 2.533 641 S HA 0.773 5.243 4.470 -0.000 0.000 0.271 641 S C -1.374 172.673 174.600 -0.922 0.000 1.143 641 S CA -0.850 57.016 58.200 -0.557 0.000 0.891 641 S CB 0.850 63.907 63.200 -0.237 0.000 1.105 641 S HN 0.415 nan 8.310 nan 0.000 0.468 642 F N 1.406 121.390 119.950 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 -0.220 118.704 118.700 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 -0.231 0.000 1.114 643 N CA -0.632 52.449 53.050 0.051 0.000 0.776 643 N CB 2.570 41.067 38.487 0.016 0.000 1.501 643 N HN 0.651 nan 8.380 nan 0.000 0.474 644 D N 0.361 120.219 120.400 -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 0.619 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 3.552 123.735 120.300 -0.195 0.000 2.128 645 Y HA -0.173 4.377 4.550 -0.000 0.000 0.284 645 Y C 1.695 177.497 175.900 -0.164 0.000 1.154 645 Y CA 1.427 59.443 58.100 -0.140 0.000 1.149 645 Y CB -0.191 38.214 38.460 -0.091 0.000 0.976 645 Y HN 0.529 nan 8.280 nan 0.000 0.505 646 L N 0.357 121.532 121.223 -0.079 0.000 2.046 646 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 646 L C 1.267 177.982 176.870 -0.258 0.000 1.077 646 L CA 1.845 56.599 54.840 -0.143 0.000 0.747 646 L CB -0.859 41.168 42.059 -0.053 0.000 0.896 646 L HN 0.220 nan 8.230 nan 0.000 0.432 647 S N -0.289 115.245 115.700 -0.277 0.000 3.436 647 S HA 0.011 4.481 4.470 -0.000 0.000 0.393 647 S C -0.009 174.453 174.600 -0.230 0.000 0.914 647 S CA 0.475 58.494 58.200 -0.301 0.000 1.317 647 S CB -1.454 61.498 63.200 -0.414 0.000 0.920 647 S HN 0.947 nan 8.310 nan 0.000 0.564 648 A N 0.514 123.249 122.820 -0.140 0.000 2.608 648 A HA 0.843 5.163 4.320 -0.000 0.000 0.292 648 A C -0.554 177.017 177.584 -0.021 0.000 1.066 648 A CA -0.056 51.930 52.037 -0.085 0.000 0.676 648 A CB 0.883 19.828 19.000 -0.091 0.000 1.277 648 A HN 1.543 nan 8.150 nan 0.000 0.413 649 A N 1.673 124.473 122.820 -0.033 0.000 2.260 649 A HA 0.618 4.938 4.320 -0.000 0.000 0.308 649 A C -0.280 177.361 177.584 0.096 0.000 1.254 649 A CA -0.604 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 3.536 122.343 118.700 0.178 0.000 2.426 650 N HA 0.490 5.230 4.740 -0.000 0.000 0.275 650 N C -0.818 174.868 175.510 0.295 0.000 1.019 650 N CA -0.150 53.104 53.050 0.339 0.000 0.941 650 N CB 1.444 40.206 38.487 0.458 0.000 1.123 650 N HN 0.595 nan 8.380 nan 0.000 0.486 651 M N 2.331 122.153 119.600 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 -0.633 54.756 55.300 0.148 0.000 0.903 651 M CB 2.124 34.820 32.600 0.158 0.000 1.711 651 M HN 0.226 nan 8.290 nan 0.000 0.451 652 L N 2.801 123.871 121.223 -0.255 0.000 2.381 652 L HA 0.578 4.918 4.340 -0.000 0.000 0.274 652 L C -1.669 174.946 176.870 -0.424 0.000 0.988 652 L CA -0.684 54.035 54.840 -0.201 0.000 0.824 652 L CB 1.576 43.516 42.059 -0.199 0.000 1.263 652 L HN 0.582 nan 8.230 nan 0.000 0.410 653 Y N 2.935 123.272 120.300 0.062 0.000 2.376 653 Y HA 0.470 5.020 4.550 -0.000 0.000 0.340 653 Y C -2.260 173.646 175.900 0.011 0.000 0.965 653 Y CA -2.916 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 -0.530 176.807 177.300 0.063 0.000 1.216 654 P CA 0.113 63.254 63.100 0.069 0.000 0.776 654 P CB 1.100 32.825 31.700 0.042 0.000 0.881 655 I N 4.307 124.892 120.570 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 1.655 39.640 38.000 -0.026 0.000 1.241 655 I HN 0.077 nan 8.210 nan 0.000 0.469 656 P HA 0.013 nan 4.420 nan 0.000 0.267 656 P C 0.000 177.295 177.300 -0.008 0.000 1.200 656 P CA -0.193 62.905 63.100 -0.003 0.000 0.772 656 P CB 0.568 32.268 31.700 0.001 0.000 0.855 657 A N 2.869 125.684 122.820 -0.008 0.000 2.567 657 A HA -0.026 4.294 4.320 -0.000 0.000 0.240 657 A C 0.932 178.513 177.584 -0.005 0.000 1.053 657 A CA 0.805 52.838 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 -0.898 117.799 118.700 -0.006 0.000 2.972 658 N HA -0.201 4.539 4.740 -0.000 0.000 0.225 658 N C 0.345 175.851 175.510 -0.007 0.000 0.883 658 N CA 0.716 53.764 53.050 -0.003 0.000 1.010 658 N CB -1.664 36.825 38.487 0.004 0.000 1.052 658 N HN 1.261 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 1.203 178.776 177.584 -0.020 0.000 1.074 659 A CA 1.231 53.261 52.037 -0.010 0.000 0.774 659 A CB 0.529 19.525 19.000 -0.008 0.000 1.015 659 A HN 0.230 nan 8.150 nan 0.000 0.498 660 T N 0.242 114.787 114.554 -0.014 0.000 2.993 660 T HA 0.159 4.509 4.350 -0.000 0.000 0.260 660 T C 0.226 174.920 174.700 -0.011 0.000 0.939 660 T CA 0.058 62.147 62.100 -0.020 0.000 0.886 660 T CB -0.171 68.690 68.868 -0.013 0.000 1.209 660 T HN 0.644 nan 8.240 nan 0.000 0.518 661 N N 1.112 119.811 118.700 -0.000 0.000 2.372 661 N HA 0.530 5.270 4.740 -0.000 0.000 0.291 661 N C -1.399 174.125 175.510 0.022 0.000 1.024 661 N CA -0.247 52.810 53.050 0.012 0.000 0.873 661 N CB 1.732 40.223 38.487 0.007 0.000 1.206 661 N HN -0.117 nan 8.380 nan 0.000 0.486 662 V N 4.643 124.587 119.914 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 1.289 33.142 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 -0.501 62.600 63.100 0.001 0.000 0.844 663 P CB 1.932 33.631 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 0.739 4.909 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 -0.670 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 6.304 122.024 115.700 0.032 0.000 2.521 665 S HA 0.702 5.172 4.470 -0.000 0.000 0.295 665 S C -0.665 174.012 174.600 0.128 0.000 1.098 665 S CA -0.675 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 5.334 125.990 120.570 0.144 0.000 2.411 666 I HA 0.343 4.513 4.170 -0.000 0.000 0.284 666 I C -2.389 173.807 176.117 0.132 0.000 1.012 666 I CA -2.490 58.906 61.300 0.160 0.000 1.119 666 I CB 1.484 39.631 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 0.073 63.208 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 3.233 118.989 115.700 0.094 0.000 2.810 668 S HA -0.022 4.448 4.470 -0.000 0.000 0.329 668 S C 0.360 174.982 174.600 0.037 0.000 1.231 668 S CA 0.288 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 -1.092 175.081 176.300 -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 -0.544 0.000 1.292 669 R HN 0.579 nan 8.270 nan 0.000 0.445 670 N N -0.141 118.339 118.700 -0.367 0.000 2.499 670 N HA 0.111 4.851 4.740 -0.000 0.000 0.281 670 N C -0.786 174.447 175.510 -0.462 0.000 1.098 670 N CA -0.236 52.687 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 1.851 123.188 121.300 0.061 0.000 2.870 671 W HA 0.416 5.076 4.660 -0.000 0.000 0.358 671 W C 0.744 177.336 176.519 0.121 0.000 1.043 671 W CA -0.387 56.968 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 1.079 124.070 122.820 0.284 0.000 2.546 672 A HA 0.390 4.710 4.320 -0.000 0.000 0.243 672 A C 1.504 179.232 177.584 0.240 0.000 1.063 672 A CA 1.242 53.430 52.037 0.252 0.000 0.757 672 A CB -0.098 19.001 19.000 0.165 0.000 0.991 672 A HN 1.161 nan 8.150 nan 0.000 0.503 673 A N 1.539 124.513 122.820 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 0.757 52.962 52.037 0.280 0.000 1.253 673 A CB -2.606 16.495 19.000 0.169 0.000 1.122 673 A HN 2.015 nan 8.150 nan 0.000 0.934 674 F N 1.887 121.953 119.950 0.194 0.000 2.623 674 F HA 0.325 4.852 4.527 -0.000 0.000 0.383 674 F C 1.421 177.262 175.800 0.068 0.000 1.077 674 F CA 0.747 58.793 58.000 0.078 0.000 1.268 674 F CB 0.432 39.379 39.000 -0.089 0.000 1.053 674 F HN 0.281 nan 8.300 nan 0.000 0.571 675 R N 3.313 123.372 120.500 -0.736 0.000 2.195 675 R HA 0.417 4.757 4.340 -0.000 0.000 0.197 675 R C 0.770 176.561 176.300 -0.849 0.000 0.990 675 R CA 0.386 56.129 56.100 -0.595 0.000 1.048 675 R CB 0.073 30.100 30.300 -0.456 0.000 0.997 675 R HN 0.869 nan 8.270 nan 0.000 0.502 676 G N -0.152 107.636 108.800 -1.687 0.000 2.362 676 G HA2 0.033 3.993 3.960 -0.000 0.000 0.288 676 G HA3 0.033 3.993 3.960 -0.000 0.000 0.288 676 G C -1.850 172.527 174.900 -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 -0.101 121.104 121.300 -0.159 0.000 2.706 677 W HA 0.747 5.407 4.660 -0.000 0.000 0.346 677 W C 0.127 176.598 176.519 -0.079 0.000 1.071 677 W CA -0.310 56.978 57.345 -0.095 0.000 1.206 677 W CB 2.444 31.891 29.460 -0.021 0.000 1.413 677 W HN 1.234 nan 8.180 nan 0.000 0.542 678 A N 2.938 125.837 122.820 0.131 0.000 2.455 678 A HA 0.920 5.240 4.320 -0.000 0.000 0.300 678 A C -1.616 175.947 177.584 -0.035 0.000 1.040 678 A CA -0.535 51.471 52.037 -0.051 0.000 0.697 678 A CB 1.487 20.367 19.000 -0.201 0.000 1.265 678 A HN 0.644 nan 8.150 nan 0.000 0.407 679 F N -0.610 119.197 119.950 -0.238 0.000 2.693 679 F HA 0.889 5.416 4.527 -0.000 0.000 0.309 679 F C -0.244 175.319 175.800 -0.395 0.000 1.129 679 F CA -0.388 57.406 58.000 -0.342 0.000 0.948 679 F CB 1.194 40.048 39.000 -0.244 0.000 1.315 679 F HN 0.680 nan 8.300 nan 0.000 0.447 680 T N -0.459 114.017 114.554 -0.129 0.000 2.618 680 T HA 0.633 4.983 4.350 -0.000 0.000 0.293 680 T C -1.683 173.260 174.700 0.405 0.000 1.093 680 T CA -1.192 60.887 62.100 -0.035 0.000 1.061 680 T CB 1.988 70.602 68.868 -0.424 0.000 1.498 680 T HN 0.962 nan 8.240 nan 0.000 0.494 681 R N 0.250 120.939 120.500 0.315 0.000 2.533 681 R HA 0.680 5.020 4.340 -0.000 0.000 0.288 681 R C -1.912 174.441 176.300 0.090 0.000 1.039 681 R CA -0.648 55.572 56.100 0.201 0.000 0.909 681 R CB 0.954 31.276 30.300 0.037 0.000 1.195 681 R HN 0.639 nan 8.270 nan 0.000 0.438 682 L N 2.263 123.545 121.223 0.098 0.000 2.301 682 L HA 0.611 4.951 4.340 -0.000 0.000 0.264 682 L C -0.342 176.538 176.870 0.016 0.000 1.016 682 L CA -1.173 53.711 54.840 0.073 0.000 0.821 682 L CB 1.887 44.035 42.059 0.148 0.000 1.346 682 L HN 0.410 nan 8.230 nan 0.000 0.429 683 K N -0.119 120.291 120.400 0.016 0.000 2.201 683 K HA 0.279 4.599 4.320 -0.000 0.000 0.278 683 K C 0.545 177.137 176.600 -0.014 0.000 1.027 683 K CA -0.369 55.919 56.287 0.002 0.000 0.909 683 K CB 1.572 34.086 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 -0.020 0.000 2.759 684 T HA -0.226 4.124 4.350 -0.000 0.000 0.269 684 T C 2.302 176.992 174.700 -0.016 0.000 1.042 684 T CA 2.107 64.193 62.100 -0.022 0.000 1.140 684 T CB -0.134 68.723 68.868 -0.020 0.000 0.864 684 T HN 0.751 nan 8.240 nan 0.000 0.455 685 K N 1.616 121.988 120.400 -0.047 0.000 2.147 685 K HA -0.100 4.220 4.320 -0.000 0.000 0.205 685 K C 1.746 178.217 176.600 -0.216 0.000 1.049 685 K CA 1.558 57.791 56.287 -0.090 0.000 0.936 685 K CB -0.758 31.670 32.500 -0.121 0.000 0.722 685 K HN 0.670 nan 8.250 nan 0.000 0.446 686 E N 0.227 120.264 120.200 -0.272 0.000 2.437 686 E HA 0.064 4.414 4.350 -0.000 0.000 0.189 686 E C -0.470 176.177 176.600 0.078 0.000 1.054 686 E CA 0.019 56.198 56.400 -0.368 0.000 0.874 686 E CB 0.583 30.094 29.700 -0.315 0.000 1.011 686 E HN 0.363 nan 8.360 nan 0.000 0.474 687 T N 3.462 118.065 114.554 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 -0.008 177.029 177.300 -0.437 0.000 1.208 688 P CA -0.255 62.302 63.100 -0.906 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 0.940 175.423 174.600 -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 0.344 nan 8.310 nan 0.000 0.490 690 L N 4.421 125.546 121.223 -0.163 0.000 2.640 690 L HA 0.296 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 0.079 54.870 54.840 -0.080 0.000 0.900 690 L CB -0.208 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 0.530 109.300 108.800 -0.051 0.000 3.340 691 G HA2 0.148 4.108 3.960 -0.000 0.000 0.240 691 G HA3 0.148 4.108 3.960 -0.000 0.000 0.240 691 G C 0.202 175.091 174.900 -0.018 0.000 1.327 691 G CA 0.625 45.709 45.100 -0.027 0.000 1.170 691 G HN 0.387 nan 8.290 nan 0.000 0.520 692 S N -3.549 112.147 115.700 -0.007 0.000 2.683 692 S HA 0.405 4.875 4.470 -0.000 0.000 0.278 692 S C 0.865 175.490 174.600 0.042 0.000 1.059 692 S CA 0.106 58.305 58.200 -0.001 0.000 0.847 692 S CB 0.759 63.941 63.200 -0.031 0.000 1.078 692 S HN 0.509 nan 8.310 nan 0.000 0.456 693 G N -0.239 108.594 108.800 0.056 0.000 2.509 693 G HA2 0.181 4.141 3.960 -0.000 0.000 0.218 693 G HA3 0.181 4.141 3.960 -0.000 0.000 0.218 693 G C -0.042 174.847 174.900 -0.018 0.000 1.124 693 G CA 1.097 46.306 45.100 0.181 0.000 0.776 693 G HN 1.024 nan 8.290 nan 0.000 0.547 694 Y N -0.422 119.644 120.300 -0.390 0.000 2.442 694 Y HA 0.433 4.983 4.550 -0.000 0.000 0.330 694 Y C -2.060 173.683 175.900 -0.262 0.000 1.100 694 Y CA -1.590 56.245 58.100 -0.443 0.000 1.034 694 Y CB 2.120 40.038 38.460 -0.903 0.000 1.285 694 Y HN -0.071 nan 8.280 nan 0.000 0.440 695 D N 8.015 127.983 120.400 -0.721 0.000 2.473 695 D HA 0.347 4.987 4.640 -0.000 0.000 0.226 695 D C -1.953 173.977 176.300 -0.616 0.000 1.089 695 D CA -2.506 51.193 54.000 -0.501 0.000 0.883 695 D CB 1.788 42.398 40.800 -0.316 0.000 1.029 695 D HN 0.323 nan 8.370 nan 0.000 0.517 696 P HA -0.138 nan 4.420 nan 0.000 0.219 696 P C 0.492 177.588 177.300 -0.341 0.000 1.146 696 P CA 0.999 63.865 63.100 -0.390 0.000 0.808 696 P CB -0.015 31.365 31.700 -0.535 0.000 0.779 697 Y N -3.165 117.129 120.300 -0.010 0.000 2.470 697 Y HA 0.186 4.736 4.550 -0.000 0.000 0.284 697 Y C 0.757 176.703 175.900 0.077 0.000 1.188 697 Y CA -0.985 57.130 58.100 0.025 0.000 1.269 697 Y CB -1.170 37.301 38.460 0.018 0.000 1.094 697 Y HN -0.103 nan 8.280 nan 0.000 0.518 698 Y N 2.442 122.731 120.300 -0.019 0.000 2.595 698 Y HA 0.282 4.832 4.550 -0.000 0.000 0.347 698 Y C 0.624 176.541 175.900 0.028 0.000 1.025 698 Y CA -1.386 56.712 58.100 -0.004 0.000 1.295 698 Y CB 0.247 38.661 38.460 -0.077 0.000 1.147 698 Y HN 0.110 nan 8.280 nan 0.000 0.515 699 T N 3.126 117.594 114.554 -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 -0.124 175.530 175.900 -0.410 0.000 1.089 700 Y CA -0.793 57.045 58.100 -0.438 0.000 1.025 700 Y CB 2.043 40.253 38.460 -0.416 0.000 1.318 700 Y HN 0.224 nan 8.280 nan 0.000 0.452 701 S N 1.874 117.042 115.700 -0.886 0.000 2.952 701 S HA 0.472 4.942 4.470 -0.000 0.000 0.251 701 S C 0.394 174.603 174.600 -0.652 0.000 1.021 701 S CA -0.024 57.824 58.200 -0.586 0.000 1.067 701 S CB 0.085 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 2.052 110.021 108.800 -1.386 0.000 2.509 702 G HA2 0.482 4.442 3.960 -0.000 0.000 0.269 702 G HA3 0.482 4.442 3.960 -0.000 0.000 0.269 702 G C 0.072 174.964 174.900 -0.014 0.000 1.416 702 G CA -0.147 44.638 45.100 -0.526 0.000 1.052 702 G HN 0.697 nan 8.290 nan 0.000 0.542 703 S N -1.308 114.535 115.700 0.238 0.000 2.568 703 S HA 0.280 4.750 4.470 -0.000 0.000 0.282 703 S C -0.023 174.800 174.600 0.371 0.000 1.338 703 S CA -0.276 58.072 58.200 0.247 0.000 1.045 703 S CB 0.381 63.707 63.200 0.210 0.000 0.873 703 S HN 0.372 nan 8.310 nan 0.000 0.516 704 I N 4.309 125.031 120.570 0.253 0.000 2.503 704 I HA 0.290 4.460 4.170 -0.000 0.000 0.277 704 I C -1.840 174.364 176.117 0.145 0.000 1.078 704 I CA -2.357 59.107 61.300 0.272 0.000 1.184 704 I CB 1.491 39.656 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 1.567 178.872 177.300 0.009 0.000 1.154 705 P CA 1.635 64.707 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 0.009 120.383 120.300 0.124 0.000 2.256 706 Y HA -0.172 4.378 4.550 -0.000 0.000 0.288 706 Y C 1.968 177.917 175.900 0.081 0.000 1.155 706 Y CA 1.560 59.730 58.100 0.117 0.000 1.203 706 Y CB -0.670 37.742 38.460 -0.079 0.000 0.980 706 Y HN -0.146 nan 8.280 nan 0.000 0.530 707 L N -0.826 120.430 121.223 0.055 0.000 2.388 707 L HA 0.067 4.407 4.340 -0.000 0.000 0.209 707 L C 1.644 178.471 176.870 -0.072 0.000 1.061 707 L CA 0.844 55.676 54.840 -0.012 0.000 0.834 707 L CB -0.219 41.909 42.059 0.115 0.000 1.029 707 L HN 0.171 nan 8.230 nan 0.000 0.473 708 D N -0.886 119.445 120.400 -0.115 0.000 2.366 708 D HA 0.085 4.725 4.640 -0.000 0.000 0.205 708 D C 1.472 177.562 176.300 -0.351 0.000 1.022 708 D CA 0.814 54.711 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 0.161 nan 8.370 nan 0.000 0.514 709 G N 0.233 108.649 108.800 -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 0.675 175.062 174.900 -0.854 0.000 0.984 709 G CA 0.459 44.948 45.100 -1.019 0.000 0.660 709 G HN 0.680 nan 8.290 nan 0.000 0.525 710 T N -0.358 113.757 114.554 -0.732 0.000 3.624 710 T HA 0.540 4.890 4.350 -0.000 0.000 0.231 710 T C 0.599 175.291 174.700 -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 -1.031 0.000 1.189 710 T HN 0.284 nan 8.240 nan 0.000 0.640 711 F N 2.834 122.936 119.950 0.253 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 0.479 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 -0.488 120.095 120.300 0.471 0.000 2.890 712 Y HA 0.500 5.050 4.550 -0.000 0.000 0.266 712 Y C -0.326 175.766 175.900 0.321 0.000 1.090 712 Y CA -0.419 57.913 58.100 0.387 0.000 1.258 712 Y CB -0.771 37.904 38.460 0.358 0.000 1.346 712 Y HN 0.382 nan 8.280 nan 0.000 0.578 713 L N 0.859 122.031 121.223 -0.085 0.000 3.066 713 L HA 0.335 4.675 4.340 -0.000 0.000 0.265 713 L C 0.915 177.683 176.870 -0.169 0.000 1.232 713 L CA -0.099 54.593 54.840 -0.245 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 0.588 119.322 118.700 0.057 0.000 2.364 714 N HA -0.156 4.584 4.740 -0.000 0.000 0.183 714 N C 1.662 177.539 175.510 0.612 0.000 1.022 714 N CA 1.040 54.243 53.050 0.254 0.000 0.883 714 N CB -0.097 38.192 38.487 -0.329 0.000 0.965 714 N HN 0.591 nan 8.380 nan 0.000 0.438 715 H N -0.695 118.585 119.070 0.349 0.000 2.556 715 H HA 0.105 4.661 4.556 -0.000 0.000 0.268 715 H C 1.074 176.442 175.328 0.067 0.000 0.996 715 H CA 1.168 57.263 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 0.129 nan 8.280 nan 0.000 0.597 716 T N -2.402 112.034 114.554 -0.198 0.000 3.107 716 T HA 0.115 4.465 4.350 -0.000 0.000 0.249 716 T C 0.246 174.867 174.700 -0.133 0.000 1.096 716 T CA -0.522 61.464 62.100 -0.191 0.000 1.012 716 T CB -0.659 68.002 68.868 -0.345 0.000 0.977 716 T HN 0.023 nan 8.240 nan 0.000 0.527 717 F N 1.578 121.603 119.950 0.125 0.000 2.412 717 F HA 0.522 5.049 4.527 -0.000 0.000 0.348 717 F C 1.499 177.304 175.800 0.008 0.000 1.102 717 F CA -0.725 57.347 58.000 0.120 0.000 1.196 717 F CB 1.514 40.662 39.000 0.246 0.000 1.144 717 F HN -0.122 nan 8.300 nan 0.000 0.541 718 K N 1.569 122.047 120.400 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 0.497 56.805 56.287 0.035 0.000 0.970 718 K CB 0.476 32.987 32.500 0.019 0.000 0.939 718 K HN 0.643 nan 8.250 nan 0.000 0.472 719 K N -1.096 119.289 120.400 -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 34.606 32.500 -0.074 0.000 1.522 719 K HN -0.208 nan 8.250 nan 0.000 0.412 720 V N -0.205 119.583 119.914 -0.209 0.000 2.668 720 V HA 0.774 4.894 4.120 -0.000 0.000 0.304 720 V C -1.141 174.825 176.094 -0.214 0.000 1.071 720 V CA -0.750 61.299 62.300 -0.418 0.000 0.894 720 V CB 1.532 32.972 31.823 -0.639 0.000 1.008 720 V HN 0.972 nan 8.190 nan 0.000 0.425 721 A N 5.626 128.260 122.820 -0.310 0.000 2.304 721 A HA 0.923 5.243 4.320 -0.000 0.000 0.314 721 A C -0.841 176.606 177.584 -0.228 0.000 1.187 721 A CA -0.434 51.503 52.037 -0.167 0.000 0.810 721 A CB 0.683 19.605 19.000 -0.131 0.000 1.183 721 A HN 0.798 nan 8.150 nan 0.000 0.487 722 I N 2.305 122.814 120.570 -0.102 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 -0.096 61.103 61.300 -0.168 0.000 1.149 722 I CB 2.368 40.245 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 0.519 4.869 4.350 -0.000 0.000 0.296 723 T C -0.672 173.945 174.700 -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 2.005 122.008 119.950 0.089 0.000 2.399 724 F HA 0.356 4.883 4.527 -0.000 0.000 0.334 724 F C 0.856 176.723 175.800 0.112 0.000 1.097 724 F CA -0.492 57.553 58.000 0.075 0.000 1.076 724 F CB 0.870 39.924 39.000 0.091 0.000 1.162 724 F HN 0.612 nan 8.300 nan 0.000 0.495 725 D N 2.507 123.103 120.400 0.327 0.000 2.701 725 D HA -0.289 4.351 4.640 -0.000 0.000 0.235 725 D C 1.264 177.651 176.300 0.144 0.000 1.155 725 D CA 1.339 55.475 54.000 0.228 0.000 0.649 725 D CB -1.284 39.662 40.800 0.244 0.000 1.050 725 D HN 0.991 nan 8.370 nan 0.000 0.425 726 S N -2.288 113.477 115.700 0.108 0.000 3.017 726 S HA -0.376 4.094 4.470 -0.000 0.000 0.283 726 S C 1.537 176.180 174.600 0.072 0.000 1.304 726 S CA 2.955 61.199 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 1.048 nan 8.310 nan 0.000 0.698 727 S N -2.396 113.364 115.700 0.099 0.000 2.918 727 S HA 0.495 4.965 4.470 -0.000 0.000 0.264 727 S C 0.213 174.877 174.600 0.106 0.000 1.078 727 S CA 0.583 58.835 58.200 0.086 0.000 0.918 727 S CB 0.075 63.321 63.200 0.075 0.000 0.882 727 S HN 1.028 nan 8.310 nan 0.000 0.466 728 V N 3.285 123.293 119.914 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 -0.282 62.134 62.300 0.194 0.000 0.976 728 V CB 1.005 32.968 31.823 0.232 0.000 0.993 728 V HN 0.464 nan 8.190 nan 0.000 0.475 729 S N 5.141 120.953 115.700 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 0.137 63.388 63.200 0.084 0.000 0.953 729 S HN 0.668 nan 8.310 nan 0.000 0.488 730 W N 7.483 128.912 121.300 0.215 0.000 2.478 730 W HA 0.492 5.152 4.660 -0.000 0.000 0.318 730 W C -2.037 174.651 176.519 0.280 0.000 1.062 730 W CA -2.197 55.337 57.345 0.315 0.000 1.210 730 W CB 1.516 31.317 29.460 0.568 0.000 1.325 730 W HN 0.515 nan 8.180 nan 0.000 0.496 731 P HA 0.137 nan 4.420 nan 0.000 0.251 731 P C 0.974 178.022 177.300 -0.420 0.000 1.223 731 P CA 1.055 63.477 63.100 -1.129 0.000 0.796 731 P CB 0.314 31.279 31.700 -1.224 0.000 1.068 732 G N 1.657 110.335 108.800 -0.204 0.000 2.602 732 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.306 732 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.306 732 G C 0.485 175.299 174.900 -0.143 0.000 1.301 732 G CA 0.479 45.511 45.100 -0.112 0.000 0.974 732 G HN 0.283 nan 8.290 nan 0.000 0.547 733 N N -0.067 118.577 118.700 -0.094 0.000 2.732 733 N HA -0.199 4.541 4.740 -0.000 0.000 0.250 733 N C 0.732 176.189 175.510 -0.088 0.000 1.097 733 N CA 2.476 55.471 53.050 -0.092 0.000 0.812 733 N CB -0.757 37.660 38.487 -0.117 0.000 1.148 733 N HN 1.356 nan 8.380 nan 0.000 0.572 734 D N -1.821 118.528 120.400 -0.085 0.000 2.945 734 D HA -0.205 4.435 4.640 -0.000 0.000 0.225 734 D C 1.227 177.479 176.300 -0.079 0.000 1.158 734 D CA 1.155 55.111 54.000 -0.073 0.000 0.805 734 D CB -0.389 40.380 40.800 -0.051 0.000 1.098 734 D HN 0.444 nan 8.370 nan 0.000 0.426 735 R N -0.365 120.072 120.500 -0.104 0.000 2.062 735 R HA 0.016 4.356 4.340 -0.000 0.000 0.231 735 R C 1.300 177.563 176.300 -0.062 0.000 1.136 735 R CA 0.743 56.795 56.100 -0.080 0.000 0.948 735 R CB -0.255 29.986 30.300 -0.098 0.000 0.845 735 R HN 0.307 nan 8.270 nan 0.000 0.430 736 L N 1.116 122.269 121.223 -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 0.486 42.396 42.059 -0.249 0.000 1.150 736 L HN 0.007 nan 8.230 nan 0.000 0.457 737 L N 0.539 121.650 121.223 -0.187 0.000 2.127 737 L HA -0.136 4.204 4.340 -0.000 0.000 0.211 737 L C 1.259 178.051 176.870 -0.130 0.000 1.089 737 L CA 1.527 56.213 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 -4.423 110.063 114.554 -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 0.660 69.532 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 1.305 64.320 63.100 -0.142 0.000 0.850 739 P CB 0.065 31.711 31.700 -0.090 0.000 0.784 740 N N -0.018 118.621 118.700 -0.103 0.000 2.515 740 N HA -0.037 4.703 4.740 -0.000 0.000 0.185 740 N C 0.597 176.049 175.510 -0.097 0.000 1.109 740 N CA 0.675 53.677 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 -1.601 118.503 120.200 -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 55.531 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 1.208 121.112 119.950 -0.076 0.000 2.375 742 F HA 0.278 4.805 4.527 -0.000 0.000 0.362 742 F C 0.245 175.954 175.800 -0.151 0.000 1.129 742 F CA -0.272 57.698 58.000 -0.049 0.000 1.154 742 F CB 1.174 40.191 39.000 0.029 0.000 1.205 742 F HN 0.281 nan 8.300 nan 0.000 0.513 743 E N 4.093 124.299 120.200 0.010 0.000 2.089 743 E HA 0.204 4.554 4.350 -0.000 0.000 0.284 743 E C 0.751 177.251 176.600 -0.167 0.000 1.023 743 E CA -0.146 56.218 56.400 -0.062 0.000 0.819 743 E CB 1.051 30.749 29.700 -0.002 0.000 1.076 743 E HN 0.665 nan 8.360 nan 0.000 0.396 744 I N 3.544 123.866 120.570 -0.413 0.000 2.353 744 I HA -0.178 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 1.249 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 -0.183 120.201 120.400 -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 1.777 34.457 32.500 0.301 0.000 1.424 745 K HN -0.203 nan 8.250 nan 0.000 0.427 746 R N 0.466 121.044 120.500 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 1.164 175.792 174.600 0.046 0.000 1.063 747 S CA -0.593 57.645 58.200 0.063 0.000 1.120 747 S CB 0.359 63.590 63.200 0.052 0.000 0.968 747 S HN 0.547 nan 8.310 nan 0.000 0.467 748 V N 1.319 121.263 119.914 0.049 0.000 0.564 748 V HA -0.522 3.598 4.120 -0.000 0.000 0.092 748 V C 2.368 178.472 176.094 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 0.915 nan 8.190 nan 0.000 0.788 749 D N 0.368 120.773 120.400 0.008 0.000 2.228 749 D HA 0.112 4.752 4.640 -0.000 0.000 0.203 749 D C 1.785 178.070 176.300 -0.027 0.000 0.988 749 D CA 2.063 56.058 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 1.225 nan 8.370 nan 0.000 0.469 750 G N -1.205 107.589 108.800 -0.010 0.000 3.690 750 G HA2 0.263 4.223 3.960 -0.000 0.000 0.283 750 G HA3 0.263 4.223 3.960 -0.000 0.000 0.283 750 G C 1.038 175.939 174.900 0.003 0.000 1.057 750 G CA 0.478 45.559 45.100 -0.032 0.000 0.821 750 G HN 0.188 nan 8.290 nan 0.000 0.526 751 E N 1.655 121.864 120.200 0.015 0.000 2.132 751 E HA -0.228 4.122 4.350 -0.000 0.000 0.218 751 E C 2.639 179.272 176.600 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 28.863 29.700 0.027 0.000 0.774 751 E HN 0.346 nan 8.360 nan 0.000 0.467 752 G N -0.440 108.368 108.800 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 1.227 176.253 174.900 0.209 0.000 1.113 752 G CA 1.192 46.320 45.100 0.046 0.000 0.748 752 G HN 0.273 nan 8.290 nan 0.000 0.585 753 Y N 0.976 121.296 120.300 0.033 0.000 2.490 753 Y HA 0.227 4.777 4.550 -0.000 0.000 0.281 753 Y C 1.035 176.962 175.900 0.045 0.000 1.174 753 Y CA -1.116 57.006 58.100 0.038 0.000 1.295 753 Y CB -0.416 38.064 38.460 0.034 0.000 1.062 753 Y HN 0.093 nan 8.280 nan 0.000 0.522 754 N N -0.537 118.279 118.700 0.194 0.000 2.434 754 N HA 0.387 5.127 4.740 -0.000 0.000 0.266 754 N C -0.433 175.119 175.510 0.069 0.000 1.223 754 N CA -0.117 53.009 53.050 0.126 0.000 0.972 754 N CB 2.208 40.767 38.487 0.119 0.000 1.207 754 N HN -0.065 nan 8.380 nan 0.000 0.525 755 V N -1.078 118.843 119.914 0.013 0.000 3.181 755 V HA 0.560 4.680 4.120 -0.000 0.000 0.307 755 V C -0.437 175.575 176.094 -0.136 0.000 1.310 755 V CA 0.026 62.271 62.300 -0.092 0.000 1.067 755 V CB 1.342 33.046 31.823 -0.199 0.000 1.081 755 V HN 0.843 nan 8.190 nan 0.000 0.453 756 A N 1.688 124.368 122.820 -0.234 0.000 2.799 756 A HA -0.265 4.055 4.320 -0.000 0.000 0.274 756 A C 0.766 178.335 177.584 -0.026 0.000 1.393 756 A CA 2.042 53.974 52.037 -0.175 0.000 0.909 756 A CB -2.282 16.572 19.000 -0.243 0.000 1.012 756 A HN 1.699 nan 8.150 nan 0.000 0.653 757 Q N -4.394 115.403 119.800 -0.004 0.000 2.502 757 Q HA -0.260 4.080 4.340 -0.000 0.000 0.273 757 Q C 0.309 176.348 176.000 0.065 0.000 1.127 757 Q CA 1.206 57.026 55.803 0.029 0.000 0.952 757 Q CB -2.745 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 -2.379 116.981 119.300 0.100 0.000 3.311 758 C HA 0.598 5.058 4.460 -0.000 0.000 0.366 758 C C 1.196 176.310 174.990 0.206 0.000 1.694 758 C CA -0.197 58.924 59.018 0.173 0.000 1.244 758 C CB 0.901 28.769 27.740 0.213 0.000 2.038 758 C HN 0.456 nan 8.230 nan 0.000 0.436 759 N N 0.673 119.558 118.700 0.308 0.000 2.370 759 N HA 0.072 4.812 4.740 -0.000 0.000 0.198 759 N C 0.147 175.845 175.510 0.313 0.000 1.156 759 N CA -0.017 53.206 53.050 0.289 0.000 0.839 759 N CB -0.243 38.412 38.487 0.280 0.000 0.989 759 N HN 0.888 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 0.163 176.548 176.300 0.141 0.000 1.140 760 M CA -0.303 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 0.207 nan 8.290 nan 0.000 0.459 761 T N 1.109 115.754 114.554 0.151 0.000 2.899 761 T HA 0.311 4.661 4.350 -0.000 0.000 0.284 761 T C 0.749 175.523 174.700 0.122 0.000 1.004 761 T CA -0.634 61.547 62.100 0.136 0.000 1.043 761 T CB 1.146 70.090 68.868 0.126 0.000 1.013 761 T HN 0.811 nan 8.240 nan 0.000 0.518 762 K N 0.566 121.012 120.400 0.077 0.000 2.057 762 K HA -0.129 4.191 4.320 -0.000 0.000 0.207 762 K C 1.857 178.513 176.600 0.093 0.000 1.049 762 K CA 1.670 58.001 56.287 0.073 0.000 0.931 762 K CB -0.207 32.316 32.500 0.038 0.000 0.714 762 K HN 0.612 nan 8.250 nan 0.000 0.440 763 D N 0.173 120.592 120.400 0.033 0.000 2.106 763 D HA -0.233 4.407 4.640 -0.000 0.000 0.191 763 D C 1.488 177.816 176.300 0.047 0.000 0.997 763 D CA 0.925 54.932 54.000 0.013 0.000 0.834 763 D CB -0.282 40.505 40.800 -0.021 0.000 0.956 763 D HN 0.366 nan 8.370 nan 0.000 0.448 764 W N 0.377 121.615 121.300 -0.103 0.000 2.358 764 W HA -0.237 4.423 4.660 -0.000 0.000 0.303 764 W C 2.131 178.504 176.519 -0.243 0.000 1.208 764 W CA 0.510 57.744 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 1.270 121.078 119.950 -0.236 0.000 2.161 765 F HA -0.257 4.270 4.527 -0.000 0.000 0.300 765 F C 2.274 177.867 175.800 -0.345 0.000 1.089 765 F CA 1.899 59.675 58.000 -0.373 0.000 1.282 765 F CB -0.943 37.860 39.000 -0.328 0.000 1.010 765 F HN -0.135 nan 8.300 nan 0.000 0.485 766 L N -0.288 120.848 121.223 -0.146 0.000 2.027 766 L HA -0.123 4.217 4.340 -0.000 0.000 0.206 766 L C 2.168 178.808 176.870 -0.383 0.000 1.074 766 L CA 1.703 56.488 54.840 -0.092 0.000 0.745 766 L CB -0.998 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 -0.275 119.312 119.914 -0.545 0.000 2.358 767 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 767 V C 2.691 178.291 176.094 -0.823 0.000 1.047 767 V CA 1.631 63.473 62.300 -0.764 0.000 1.035 767 V CB -0.794 30.479 31.823 -0.917 0.000 0.658 767 V HN 0.505 nan 8.190 nan 0.000 0.452 768 Q N -0.908 118.239 119.800 -1.088 0.000 2.084 768 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 768 Q C 2.245 177.756 176.000 -0.816 0.000 0.978 768 Q CA 1.329 56.427 55.803 -1.175 0.000 0.844 768 Q CB -0.449 27.174 28.738 -1.858 0.000 0.898 768 Q HN 0.470 nan 8.270 nan 0.000 0.426 769 M N -0.016 119.173 119.600 -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 -0.214 0.000 1.065 769 M CA 1.143 56.253 55.300 -0.317 0.000 1.122 769 M CB -0.897 31.498 32.600 -0.342 0.000 1.365 769 M HN 0.156 nan 8.290 nan 0.000 0.411 770 L N -0.326 120.717 121.223 -0.299 0.000 2.044 770 L HA -0.104 4.236 4.340 -0.000 0.000 0.205 770 L C 2.779 179.535 176.870 -0.191 0.000 1.075 770 L CA 1.148 55.858 54.840 -0.217 0.000 0.747 770 L CB -0.989 40.951 42.059 -0.198 0.000 0.903 770 L HN 0.240 nan 8.230 nan 0.000 0.435 771 A N 0.061 122.722 122.820 -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 2.066 53.956 52.037 -0.246 0.000 0.631 771 A CB -0.596 18.218 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 1.493 54.077 53.050 -0.777 0.000 0.869 772 N CB 0.049 37.797 38.487 -1.230 0.000 1.000 772 N HN 0.674 nan 8.380 nan 0.000 0.431 773 Y N -0.786 119.441 120.300 -0.123 0.000 2.672 773 Y HA 0.349 4.899 4.550 -0.000 0.000 0.252 773 Y C 0.060 175.890 175.900 -0.117 0.000 1.132 773 Y CA -0.640 57.387 58.100 -0.121 0.000 1.228 773 Y CB 0.106 38.469 38.460 -0.162 0.000 1.310 773 Y HN -0.189 nan 8.280 nan 0.000 0.549 774 N N 0.659 119.351 118.700 -0.014 0.000 2.800 774 N HA -0.193 4.547 4.740 -0.000 0.000 0.250 774 N C -0.723 174.754 175.510 -0.055 0.000 1.078 774 N CA 0.821 53.861 53.050 -0.017 0.000 0.804 774 N CB -1.420 37.084 38.487 0.028 0.000 1.135 774 N HN 0.443 nan 8.380 nan 0.000 0.565 775 I N -0.628 119.877 120.570 -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 -0.322 0.000 0.998 775 I CA 0.524 61.682 61.300 -0.236 0.000 1.267 775 I CB 1.503 39.262 38.000 -0.402 0.000 1.386 775 I HN 0.235 nan 8.210 nan 0.000 0.476 776 G N 3.972 112.503 108.800 -0.448 0.000 3.859 776 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.198 776 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.198 776 G C 0.422 174.917 174.900 -0.675 0.000 0.972 776 G CA -0.211 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 2.173 177.999 175.900 -0.122 0.000 1.128 777 Y CA 1.116 59.131 58.100 -0.143 0.000 1.282 777 Y CB 0.439 38.853 38.460 -0.077 0.000 1.027 777 Y HN 0.243 nan 8.280 nan 0.000 0.551 778 Q N 0.068 119.873 119.800 0.008 0.000 2.233 778 Q HA 0.432 4.772 4.340 -0.000 0.000 0.340 778 Q C 0.078 176.095 176.000 0.028 0.000 0.899 778 Q CA -0.042 55.780 55.803 0.031 0.000 1.139 778 Q CB 0.952 29.733 28.738 0.073 0.000 1.273 778 Q HN 0.374 nan 8.270 nan 0.000 0.431 779 G N 0.595 109.331 108.800 -0.106 0.000 2.690 779 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.686 779 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.686 779 G C -1.119 173.695 174.900 -0.144 0.000 1.277 779 G CA -1.039 44.017 45.100 -0.074 0.000 0.799 779 G HN 0.156 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 0.708 176.556 175.800 0.080 0.000 1.105 780 F CA -0.236 57.761 58.000 -0.005 0.000 1.049 780 F CB 1.623 40.708 39.000 0.141 0.000 1.139 780 F HN 0.748 nan 8.300 nan 0.000 0.479 781 Y N -0.186 120.195 120.300 0.134 0.000 2.689 781 Y HA 0.624 5.174 4.550 -0.000 0.000 0.333 781 Y C -1.121 174.641 175.900 -0.230 0.000 1.208 781 Y CA -2.128 55.961 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 4.305 124.803 120.570 -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 -1.477 59.513 61.300 -0.517 0.000 1.420 782 I CB 0.354 38.171 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 62.507 63.100 -0.637 0.000 0.780 783 P CB 0.308 31.253 31.700 -1.258 0.000 0.898 784 E N 0.964 120.985 120.200 -0.297 0.000 2.415 784 E HA 0.094 4.444 4.350 -0.000 0.000 0.263 784 E C 1.337 177.737 176.600 -0.335 0.000 0.995 784 E CA 0.226 56.462 56.400 -0.273 0.000 0.915 784 E CB -0.721 28.780 29.700 -0.332 0.000 0.951 784 E HN 0.438 nan 8.360 nan 0.000 0.449 785 S N 1.021 116.638 115.700 -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 2.096 60.265 58.200 -0.052 0.000 1.053 785 S CB -0.964 62.252 63.200 0.027 0.000 0.886 785 S HN 0.990 nan 8.310 nan 0.000 0.456 786 Y N 1.792 122.106 120.300 0.024 0.000 2.497 786 Y HA 0.186 4.736 4.550 -0.000 0.000 0.292 786 Y C 1.638 177.578 175.900 0.065 0.000 1.137 786 Y CA 0.522 58.643 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 -0.315 119.821 120.400 -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 0.586 56.786 56.287 -0.144 0.000 1.023 787 K CB 0.243 32.628 32.500 -0.193 0.000 0.840 787 K HN 0.111 nan 8.250 nan 0.000 0.519 788 D N 2.304 122.739 120.400 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 -0.310 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 1.941 122.518 120.500 0.127 0.000 2.519 789 R HA 0.273 4.613 4.340 -0.000 0.000 0.244 789 R C 1.553 177.862 176.300 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 0.289 nan 8.270 nan 0.000 0.587 790 M N 0.126 119.667 119.600 -0.097 0.000 2.082 790 M HA -0.183 4.297 4.480 -0.000 0.000 0.258 790 M C 0.616 176.737 176.300 -0.298 0.000 1.069 790 M CA 2.040 57.166 55.300 -0.291 0.000 1.102 790 M CB -0.032 32.236 32.600 -0.553 0.000 1.336 790 M HN 0.446 nan 8.290 nan 0.000 0.404 791 Y N -0.239 120.092 120.300 0.052 0.000 2.532 791 Y HA 0.299 4.849 4.550 -0.000 0.000 0.283 791 Y C 0.837 176.787 175.900 0.083 0.000 1.181 791 Y CA -0.512 57.630 58.100 0.070 0.000 1.256 791 Y CB -0.392 38.105 38.460 0.063 0.000 1.112 791 Y HN 0.025 nan 8.280 nan 0.000 0.521 792 S N 0.055 115.869 115.700 0.190 0.000 2.645 792 S HA 0.079 4.549 4.470 -0.000 0.000 0.266 792 S C 0.949 175.696 174.600 0.244 0.000 1.258 792 S CA -0.676 57.645 58.200 0.202 0.000 0.990 792 S CB 0.585 63.934 63.200 0.248 0.000 0.967 792 S HN 0.390 nan 8.310 nan 0.000 0.556 793 F N 1.546 121.575 119.950 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 0.277 0.000 1.142 793 F CA 1.416 59.508 58.000 0.153 0.000 1.177 793 F CB -0.815 38.216 39.000 0.052 0.000 0.982 793 F HN 0.665 nan 8.300 nan 0.000 0.473 794 F N 1.555 121.398 119.950 -0.179 0.000 2.043 794 F HA -0.270 4.257 4.527 -0.000 0.000 0.297 794 F C 2.839 178.574 175.800 -0.108 0.000 1.121 794 F CA 2.561 60.391 58.000 -0.283 0.000 1.199 794 F CB -0.714 38.227 39.000 -0.098 0.000 0.968 794 F HN 0.060 nan 8.300 nan 0.000 0.478 795 R N 0.504 121.068 120.500 0.106 0.000 2.170 795 R HA -0.191 4.149 4.340 -0.000 0.000 0.242 795 R C 1.339 177.593 176.300 -0.077 0.000 1.145 795 R CA 2.092 58.203 56.100 0.019 0.000 0.984 795 R CB -0.495 29.857 30.300 0.086 0.000 0.869 795 R HN 0.348 nan 8.270 nan 0.000 0.455 796 N N -0.657 118.007 118.700 -0.059 0.000 2.236 796 N HA -0.040 4.700 4.740 -0.000 0.000 0.196 796 N C -0.728 174.780 175.510 -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 3.124 122.861 119.950 -0.354 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 -0.696 0.000 1.105 797 F HN -0.176 nan 8.300 nan 0.000 0.536 798 Q N 8.616 128.098 119.800 -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 -0.526 176.702 177.300 -0.121 0.000 1.259 799 P CA -0.236 62.669 63.100 -0.324 0.000 0.794 799 P CB 1.007 32.514 31.700 -0.323 0.000 0.940 800 M N 1.119 120.718 119.600 -0.003 0.000 2.572 800 M HA 0.532 5.012 4.480 -0.000 0.000 0.299 800 M C -0.307 176.176 176.300 0.305 0.000 1.205 800 M CA -0.311 55.047 55.300 0.097 0.000 0.876 800 M CB 2.602 35.177 32.600 -0.041 0.000 1.728 800 M HN 0.155 nan 8.290 nan 0.000 0.458 801 S N 0.387 116.328 115.700 0.402 0.000 2.556 801 S HA 0.875 5.345 4.470 -0.000 0.000 0.271 801 S C -1.498 173.185 174.600 0.138 0.000 1.135 801 S CA -0.936 57.451 58.200 0.312 0.000 0.858 801 S CB 2.586 65.868 63.200 0.137 0.000 1.114 801 S HN 0.782 nan 8.310 nan 0.000 0.468 802 R N 0.763 121.146 120.500 -0.194 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 -0.940 54.920 56.100 -0.399 0.000 0.866 802 R CB 0.684 30.429 30.300 -0.926 0.000 1.263 802 R HN 0.417 nan 8.270 nan 0.000 0.475 803 Q N 0.374 120.000 119.800 -0.289 0.000 2.377 803 Q HA 0.682 5.022 4.340 -0.000 0.000 0.271 803 Q C -1.123 174.743 176.000 -0.224 0.000 1.077 803 Q CA -0.753 54.920 55.803 -0.217 0.000 0.820 803 Q CB 2.942 31.593 28.738 -0.145 0.000 1.347 803 Q HN 0.600 nan 8.270 nan 0.000 0.444 804 V N -1.741 118.061 119.914 -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 33.132 31.823 -0.142 0.000 1.045 804 V HN 0.587 nan 8.190 nan 0.000 0.432 805 V N 0.054 119.890 119.914 -0.130 0.000 2.788 805 V HA 0.193 4.313 4.120 -0.000 0.000 0.307 805 V C 0.390 176.359 176.094 -0.210 0.000 1.069 805 V CA 0.291 62.467 62.300 -0.206 0.000 1.173 805 V CB 0.214 31.903 31.823 -0.224 0.000 0.925 805 V HN 1.044 nan 8.190 nan 0.000 0.492 806 D N 3.734 124.011 120.400 -0.205 0.000 2.393 806 D HA 0.068 4.708 4.640 -0.000 0.000 0.232 806 D C 1.113 177.261 176.300 -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 -0.333 0.000 0.977 807 D CA 0.963 54.505 54.000 -0.763 0.000 0.871 807 D CB -0.312 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 -4.214 110.234 114.554 -0.177 0.000 3.069 808 T HA 0.356 4.706 4.350 -0.000 0.000 0.252 808 T C 1.540 176.214 174.700 -0.044 0.000 1.053 808 T CA 0.748 62.799 62.100 -0.081 0.000 0.964 808 T CB 0.307 69.138 68.868 -0.061 0.000 1.005 808 T HN 0.324 nan 8.240 nan 0.000 0.532 809 K N 0.049 120.428 120.400 -0.035 0.000 2.502 809 K HA 0.333 4.653 4.320 -0.000 0.000 0.211 809 K C 0.223 176.854 176.600 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 32.189 32.500 -0.008 0.000 1.054 809 K HN 0.499 nan 8.250 nan 0.000 0.572 810 Y N 3.246 123.492 120.300 -0.090 0.000 2.585 810 Y HA 0.370 4.920 4.550 -0.000 0.000 0.354 810 Y C 1.679 177.571 175.900 -0.014 0.000 1.024 810 Y CA -0.204 57.851 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 0.330 nan 8.280 nan 0.000 0.525 811 K N 2.988 123.220 120.400 -0.279 0.000 2.077 811 K HA -0.226 4.094 4.320 -0.000 0.000 0.213 811 K C 1.060 177.426 176.600 -0.389 0.000 1.051 811 K CA 2.524 58.644 56.287 -0.278 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 -1.564 118.343 120.400 -0.822 0.000 2.319 812 D HA 0.056 4.696 4.640 -0.000 0.000 0.230 812 D C 0.096 176.203 176.300 -0.322 0.000 1.094 812 D CA -0.390 53.278 54.000 -0.553 0.000 0.856 812 D CB -0.625 39.918 40.800 -0.429 0.000 0.915 812 D HN 0.554 nan 8.370 nan 0.000 0.517 813 Y N 2.353 122.428 120.300 -0.376 0.000 2.904 813 Y HA -0.078 4.472 4.550 -0.000 0.000 0.336 813 Y C 0.073 176.050 175.900 0.129 0.000 1.263 813 Y CA 0.566 58.687 58.100 0.034 0.000 1.547 813 Y CB 0.365 38.863 38.460 0.064 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 -0.634 0.000 2.274 814 Q HA 0.134 4.474 4.340 -0.000 0.000 0.268 814 Q C -1.387 174.199 176.000 -0.690 0.000 1.015 814 Q CA -0.734 54.773 55.803 -0.493 0.000 0.775 814 Q CB 1.892 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 2.264 121.751 119.800 -0.523 0.000 2.452 815 Q HA 0.345 4.685 4.340 -0.000 0.000 0.230 815 Q C -1.022 174.966 176.000 -0.020 0.000 1.180 815 Q CA -0.060 55.649 55.803 -0.158 0.000 0.914 815 Q CB 0.258 29.048 28.738 0.087 0.000 1.408 815 Q HN 0.308 nan 8.270 nan 0.000 0.520 816 V N 3.535 123.455 119.914 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 -0.534 61.772 62.300 0.009 0.000 0.857 816 V CB 1.284 33.092 31.823 -0.025 0.000 0.985 816 V HN 0.789 nan 8.190 nan 0.000 0.443 817 G N 2.594 111.390 108.800 -0.007 0.000 2.535 817 G HA2 0.481 4.441 3.960 -0.000 0.000 0.303 817 G HA3 0.481 4.441 3.960 -0.000 0.000 0.303 817 G C 0.864 175.671 174.900 -0.155 0.000 1.237 817 G CA -0.541 44.522 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 2.517 178.535 176.117 -0.165 0.000 1.093 818 I CA 1.169 62.367 61.300 -0.170 0.000 1.355 818 I CB -0.808 37.120 38.000 -0.120 0.000 1.046 818 I HN 0.336 nan 8.210 nan 0.000 0.413 819 L N -0.136 120.942 121.223 -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 -0.440 0.000 1.095 819 L CA 1.831 56.450 54.840 -0.369 0.000 0.764 819 L CB -0.792 40.932 42.059 -0.558 0.000 0.897 819 L HN 0.495 nan 8.230 nan 0.000 0.436 820 H N -2.766 116.328 119.070 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 -0.419 55.653 56.048 0.041 0.000 1.146 820 H CB 0.478 30.247 29.762 0.011 0.000 1.607 820 H HN 0.299 nan 8.280 nan 0.000 0.566 821 Q N 2.147 121.935 119.800 -0.019 0.000 2.261 821 Q HA 0.174 4.514 4.340 -0.000 0.000 0.252 821 Q C -0.353 175.660 176.000 0.021 0.000 0.915 821 Q CA -0.538 55.172 55.803 -0.155 0.000 0.915 821 Q CB 1.080 29.534 28.738 -0.473 0.000 1.204 821 Q HN 0.513 nan 8.270 nan 0.000 0.421 822 H N 0.975 120.076 119.070 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 1.312 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 3.550 122.398 118.700 0.247 0.000 2.616 823 N HA 0.096 4.836 4.740 -0.000 0.000 0.281 823 N C -0.565 175.124 175.510 0.297 0.000 1.145 823 N CA -0.243 52.924 53.050 0.195 0.000 0.919 823 N CB 0.865 39.339 38.487 -0.022 0.000 1.509 823 N HN 0.862 nan 8.380 nan 0.000 0.537 824 N N -0.147 118.731 118.700 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 1.071 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 -0.556 115.321 115.700 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 1.286 64.535 63.200 0.082 0.000 0.831 825 S HN 1.191 nan 8.310 nan 0.000 0.499 826 G N 2.258 110.952 108.800 -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 -0.731 0.000 0.990 826 G CA 0.401 45.199 45.100 -0.503 0.000 0.627 826 G HN 0.865 nan 8.290 nan 0.000 0.522 827 F N -0.428 119.536 119.950 0.023 0.000 2.767 827 F HA 0.658 5.185 4.527 -0.000 0.000 0.323 827 F C 0.815 176.618 175.800 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 0.168 nan 8.300 nan 0.000 0.571 828 V N -0.403 119.591 119.914 0.134 0.000 3.040 828 V HA 0.767 4.887 4.120 -0.000 0.000 0.312 828 V C 0.257 176.369 176.094 0.030 0.000 1.115 828 V CA -1.086 61.259 62.300 0.075 0.000 0.998 828 V CB 1.921 33.808 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 2.539 829 G HA2 0.327 4.287 3.960 -0.000 0.000 0.258 829 G HA3 0.327 4.287 3.960 -0.000 0.000 0.258 829 G C -1.260 173.677 174.900 0.061 0.000 1.202 829 G CA 0.009 45.101 45.100 -0.014 0.000 0.851 829 G HN 0.650 nan 8.290 nan 0.000 0.556 830 Y N 1.412 121.676 120.300 -0.061 0.000 2.367 830 Y HA 0.374 4.924 4.550 -0.000 0.000 0.342 830 Y C 1.040 176.932 175.900 -0.013 0.000 0.979 830 Y CA -1.007 57.070 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 4.046 125.006 121.223 -0.439 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 0.965 55.591 54.840 -0.355 0.000 0.968 831 L CB -1.950 39.713 42.059 -0.659 0.000 1.933 831 L HN 0.793 nan 8.230 nan 0.000 0.976 832 A N -1.912 120.877 122.820 -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 0.937 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 0.490 177.665 177.300 -0.208 0.000 1.668 833 P CA 0.539 63.447 63.100 -0.320 0.000 0.898 833 P CB -0.666 30.794 31.700 -0.401 0.000 1.637 834 T N -4.036 110.427 114.554 -0.151 0.000 2.902 834 T HA 0.402 4.752 4.350 -0.000 0.000 0.287 834 T C 0.609 175.224 174.700 -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 1.660 121.164 119.600 -0.159 0.000 2.252 835 M HA 0.183 4.663 4.480 -0.000 0.000 0.329 835 M C 0.279 176.512 176.300 -0.112 0.000 1.101 835 M CA -0.586 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 2.928 123.380 120.500 -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 0.028 56.089 56.100 -0.066 0.000 1.128 836 R CB -0.005 30.272 30.300 -0.038 0.000 1.010 836 R HN 0.738 nan 8.270 nan 0.000 0.461 837 E N -0.571 119.569 120.200 -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 -1.414 118.264 119.800 -0.203 0.000 2.482 839 Q HA 0.760 5.100 4.340 -0.000 0.000 0.286 839 Q C -0.148 175.788 176.000 -0.107 0.000 1.007 839 Q CA -0.447 55.245 55.803 -0.185 0.000 0.801 839 Q CB 1.570 30.240 28.738 -0.113 0.000 1.455 839 Q HN 2.274 nan 8.270 nan 0.000 0.398 840 A N 1.302 124.075 122.820 -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 0.701 52.824 52.037 0.143 0.000 0.759 840 A CB -0.055 19.076 19.000 0.218 0.000 0.995 840 A HN 0.645 nan 8.150 nan 0.000 0.506 841 Y N 0.386 120.740 120.300 0.089 0.000 2.554 841 Y HA 0.337 4.887 4.550 -0.000 0.000 0.338 841 Y C -2.453 173.519 175.900 0.120 0.000 1.247 841 Y CA -1.262 56.872 58.100 0.056 0.000 1.255 841 Y CB 1.318 39.749 38.460 -0.048 0.000 1.346 841 Y HN 0.636 nan 8.280 nan 0.000 0.481 842 P HA 0.237 nan 4.420 nan 0.000 0.261 842 P C -0.630 176.808 177.300 0.230 0.000 1.183 842 P CA 0.335 63.456 63.100 0.035 0.000 0.761 842 P CB 0.368 32.021 31.700 -0.079 0.000 0.785 843 A N 3.541 126.448 122.820 0.145 0.000 2.466 843 A HA 0.114 4.434 4.320 -0.000 0.000 0.238 843 A C 1.170 178.742 177.584 -0.020 0.000 1.074 843 A CA -0.142 51.954 52.037 0.098 0.000 0.774 843 A CB -0.104 18.893 19.000 -0.006 0.000 1.015 843 A HN 0.704 nan 8.150 nan 0.000 0.498 844 N N -0.070 118.510 118.700 -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 -0.075 52.832 53.050 -0.240 0.000 0.882 844 N CB 0.313 38.524 38.487 -0.460 0.000 1.052 844 N HN 0.485 nan 8.380 nan 0.000 0.519 845 F N 0.354 120.074 119.950 -0.382 0.000 2.708 845 F HA 0.574 5.101 4.527 -0.000 0.000 0.309 845 F C -2.988 172.527 175.800 -0.475 0.000 1.120 845 F CA -1.354 56.399 58.000 -0.412 0.000 0.978 845 F CB 1.604 40.403 39.000 -0.334 0.000 1.283 845 F HN -0.226 nan 8.300 nan 0.000 0.439 846 P HA 0.284 nan 4.420 nan 0.000 0.284 846 P C -1.458 175.433 177.300 -0.682 0.000 1.292 846 P CA -0.210 62.017 63.100 -1.455 0.000 0.800 846 P CB 0.739 31.749 31.700 -1.150 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 -1.418 56.531 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 0.146 nan 4.420 nan 0.000 0.276 848 P C -0.054 177.199 177.300 -0.077 0.000 1.253 848 P CA 0.123 63.195 63.100 -0.047 0.000 0.766 848 P CB 0.747 32.429 31.700 -0.030 0.000 0.845 849 L N 2.890 124.065 121.223 -0.079 0.000 2.640 849 L HA 0.251 4.591 4.340 -0.000 0.000 0.230 849 L C 1.066 177.892 176.870 -0.073 0.000 1.123 849 L CA 0.112 54.896 54.840 -0.093 0.000 0.900 849 L CB -0.176 41.828 42.059 -0.092 0.000 1.146 849 L HN 0.391 nan 8.230 nan 0.000 0.484 850 I N -4.011 116.526 120.570 -0.056 0.000 3.206 850 I HA 0.952 5.122 4.170 -0.000 0.000 0.313 850 I C 0.353 176.449 176.117 -0.034 0.000 1.103 850 I CA -0.693 60.582 61.300 -0.041 0.000 0.985 850 I CB 1.701 39.681 38.000 -0.032 0.000 1.240 850 I HN -0.026 nan 8.210 nan 0.000 0.464 851 G N 2.090 110.874 108.800 -0.025 0.000 2.685 851 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.387 851 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.387 851 G C -0.057 174.834 174.900 -0.015 0.000 1.324 851 G CA -0.059 45.030 45.100 -0.018 0.000 0.878 851 G HN 0.867 nan 8.290 nan 0.000 0.527 852 K N -0.867 119.529 120.400 -0.008 0.000 2.504 852 K HA 0.086 4.406 4.320 -0.000 0.000 0.195 852 K C 1.852 178.453 176.600 0.002 0.000 1.036 852 K CA 1.355 57.641 56.287 -0.003 0.000 0.984 852 K CB 0.089 32.590 32.500 0.001 0.000 0.788 852 K HN 0.368 nan 8.250 nan 0.000 0.488 853 T N 0.593 115.148 114.554 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 69.154 68.868 0.025 0.000 1.053 853 T HN 0.219 nan 8.240 nan 0.000 0.533 854 A N 1.930 124.728 122.820 -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 0.780 120.523 119.914 -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 0.731 31.843 31.823 -1.185 0.000 1.047 855 V HN 0.791 nan 8.190 nan 0.000 0.478 856 D N 2.722 122.985 120.400 -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 0.683 54.620 54.000 -0.106 0.000 0.876 856 D CB 1.038 41.840 40.800 0.003 0.000 1.161 856 D HN 0.958 nan 8.370 nan 0.000 0.478 857 S N 1.664 117.289 115.700 -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 -0.873 57.248 58.200 -0.132 0.000 0.965 857 S CB 2.047 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 0.521 121.027 120.570 -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 5.796 120.308 114.554 -0.069 0.000 2.837 859 T HA 0.538 4.888 4.350 -0.000 0.000 0.285 859 T C -0.631 174.041 174.700 -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 -0.070 0.000 2.321 860 Q HA 0.486 4.826 4.340 -0.000 0.000 0.270 860 Q C -0.976 175.121 176.000 0.160 0.000 1.032 860 Q CA -0.872 54.940 55.803 0.014 0.000 0.784 860 Q CB 2.347 31.051 28.738 -0.056 0.000 1.264 860 Q HN 0.506 nan 8.270 nan 0.000 0.448 861 K N 2.178 122.720 120.400 0.237 0.000 2.371 861 K HA 0.639 4.959 4.320 -0.000 0.000 0.251 861 K C -0.768 175.993 176.600 0.269 0.000 0.934 861 K CA -0.903 55.553 56.287 0.282 0.000 0.798 861 K CB 2.337 34.953 32.500 0.192 0.000 1.204 861 K HN 0.559 nan 8.250 nan 0.000 0.427 862 K N 0.472 121.006 120.400 0.224 0.000 2.491 862 K HA 0.596 4.916 4.320 -0.000 0.000 0.275 862 K C -1.496 175.203 176.600 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 -2.376 173.422 175.800 -0.005 0.000 1.144 863 F CA -1.241 56.739 58.000 -0.033 0.000 0.938 863 F CB 0.870 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 2.020 123.342 121.223 0.165 0.000 2.333 864 L HA 0.713 5.053 4.340 -0.000 0.000 0.269 864 L C -0.629 176.499 176.870 0.431 0.000 1.010 864 L CA -0.836 54.078 54.840 0.123 0.000 0.818 864 L CB 1.797 43.822 42.059 -0.056 0.000 1.306 864 L HN 1.029 nan 8.230 nan 0.000 0.430 865 C N 2.037 121.599 119.300 0.437 0.000 3.173 865 C HA 0.292 4.752 4.460 -0.000 0.000 0.209 865 C C -0.436 174.707 174.990 0.255 0.000 1.229 865 C CA -0.848 58.406 59.018 0.394 0.000 1.109 865 C CB -1.015 27.068 27.740 0.572 0.000 1.833 865 C HN 0.785 nan 8.230 nan 0.000 0.626 866 D N 1.546 122.121 120.400 0.291 0.000 2.354 866 D HA 0.104 4.744 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 0.368 54.591 54.000 0.371 0.000 0.911 866 D CB 0.391 41.472 40.800 0.468 0.000 1.163 866 D HN 0.710 nan 8.370 nan 0.000 0.456 867 R N -1.389 119.391 120.500 0.466 0.000 3.358 867 R HA -0.248 4.092 4.340 -0.000 0.000 0.248 867 R C -0.916 175.659 176.300 0.459 0.000 0.981 867 R CA 0.979 57.360 56.100 0.467 0.000 0.662 867 R CB -2.375 28.177 30.300 0.420 0.000 1.037 867 R HN 0.385 nan 8.270 nan 0.000 0.460 868 T N -0.180 114.575 114.554 0.336 0.000 2.816 868 T HA 0.685 5.035 4.350 -0.000 0.000 0.299 868 T C -1.066 173.571 174.700 -0.105 0.000 1.230 868 T CA -0.807 61.392 62.100 0.165 0.000 1.007 868 T CB 1.305 70.233 68.868 0.101 0.000 1.289 868 T HN 0.271 nan 8.240 nan 0.000 0.508 869 L N 1.827 122.923 121.223 -0.211 0.000 2.346 869 L HA 0.558 4.898 4.340 -0.000 0.000 0.276 869 L C -0.589 176.039 176.870 -0.403 0.000 1.006 869 L CA -0.926 53.649 54.840 -0.441 0.000 0.817 869 L CB 1.681 43.506 42.059 -0.389 0.000 1.272 869 L HN 0.702 nan 8.230 nan 0.000 0.421 870 W N 2.827 123.781 121.300 -0.576 0.000 2.181 870 W HA 0.327 4.987 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 -0.476 56.479 57.345 -0.649 0.000 1.226 870 W CB 0.611 29.352 29.460 -1.198 0.000 1.155 870 W HN 0.301 nan 8.180 nan 0.000 0.565 871 R N 3.246 123.639 120.500 -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 55.034 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 3.660 124.234 120.570 0.008 0.000 2.583 872 I HA 0.272 4.442 4.170 -0.000 0.000 0.276 872 I C -2.435 173.891 176.117 0.348 0.000 1.089 872 I CA -2.189 59.185 61.300 0.123 0.000 1.103 872 I CB 1.869 39.933 38.000 0.107 0.000 1.209 872 I HN 0.238 nan 8.210 nan 0.000 0.484 873 P HA 0.080 nan 4.420 nan 0.000 0.275 873 P C -0.337 177.224 177.300 0.434 0.000 1.227 873 P CA -0.221 63.017 63.100 0.230 0.000 0.781 873 P CB 0.663 32.463 31.700 0.166 0.000 0.906 874 F N 2.304 122.205 119.950 -0.081 0.000 2.669 874 F HA 0.294 4.821 4.527 -0.000 0.000 0.353 874 F C 0.395 176.224 175.800 0.049 0.000 1.192 874 F CA -0.142 57.795 58.000 -0.105 0.000 1.317 874 F CB -0.560 38.126 39.000 -0.523 0.000 1.652 874 F HN 0.088 nan 8.300 nan 0.000 0.608 875 S N 0.271 116.048 115.700 0.129 0.000 2.521 875 S HA 0.325 4.795 4.470 -0.000 0.000 0.295 875 S C 1.072 175.615 174.600 -0.096 0.000 1.098 875 S CA -0.044 58.152 58.200 -0.007 0.000 0.999 875 S CB 1.273 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 3.550 119.162 115.700 -0.147 0.000 2.407 876 S HA -0.206 4.264 4.470 -0.000 0.000 0.235 876 S C 0.963 175.365 174.600 -0.330 0.000 1.036 876 S CA 1.898 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 -0.783 117.778 118.700 -0.232 0.000 2.238 877 N HA 0.221 4.961 4.740 -0.000 0.000 0.235 877 N C -0.013 175.523 175.510 0.044 0.000 1.209 877 N CA -0.365 52.600 53.050 -0.142 0.000 0.879 877 N CB -0.676 37.796 38.487 -0.025 0.000 1.136 877 N HN 0.277 nan 8.380 nan 0.000 0.517 878 F N -1.371 118.644 119.950 0.108 0.000 2.825 878 F HA -0.294 4.233 4.527 -0.000 0.000 0.358 878 F C 0.448 176.262 175.800 0.024 0.000 0.639 878 F CA 0.616 58.663 58.000 0.079 0.000 1.153 878 F CB -2.047 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 -0.274 119.430 119.600 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 -0.102 55.259 55.300 0.103 0.000 1.084 879 M CB 0.812 33.483 32.600 0.118 0.000 1.468 879 M HN -0.060 nan 8.290 nan 0.000 0.474 880 S N 2.055 117.768 115.700 0.022 0.000 2.399 880 S HA 0.403 4.873 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 -0.452 57.750 58.200 0.002 0.000 1.077 880 S CB 0.172 63.359 63.200 -0.021 0.000 0.980 880 S HN 0.650 nan 8.310 nan 0.000 0.494 881 M N 2.268 121.875 119.600 0.012 0.000 2.416 881 M HA 0.330 4.810 4.480 -0.000 0.000 0.337 881 M C 0.604 176.913 176.300 0.015 0.000 1.074 881 M CA -0.196 55.113 55.300 0.014 0.000 0.968 881 M CB 0.914 33.520 32.600 0.010 0.000 1.472 881 M HN 0.814 nan 8.290 nan 0.000 0.539 882 G N -0.188 108.621 108.800 0.015 0.000 2.307 882 G HA2 0.283 4.243 3.960 -0.000 0.000 0.348 882 G HA3 0.283 4.243 3.960 -0.000 0.000 0.348 882 G C 0.094 175.016 174.900 0.037 0.000 1.603 882 G CA -0.509 44.607 45.100 0.026 0.000 0.961 882 G HN 0.082 nan 8.290 nan 0.000 0.686 883 A N 0.290 123.145 122.820 0.058 0.000 1.892 883 A HA 0.111 4.431 4.320 -0.000 0.000 0.218 883 A C 1.652 179.377 177.584 0.235 0.000 1.188 883 A CA 2.194 54.279 52.037 0.081 0.000 0.631 883 A CB -0.296 18.787 19.000 0.139 0.000 0.822 883 A HN 1.811 nan 8.150 nan 0.000 0.447 884 L N 2.108 123.503 121.223 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 0.278 55.276 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 -0.029 114.596 114.554 0.117 0.000 2.795 885 T HA 0.041 4.391 4.350 -0.000 0.000 0.314 885 T C 1.124 175.846 174.700 0.037 0.000 1.069 885 T CA 0.252 62.384 62.100 0.053 0.000 1.071 885 T CB 0.544 69.430 68.868 0.029 0.000 0.988 885 T HN 0.710 nan 8.240 nan 0.000 0.543 886 D N 1.492 121.890 120.400 -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 1.182 55.175 54.000 -0.013 0.000 0.828 886 D CB -0.579 40.203 40.800 -0.030 0.000 0.967 886 D HN 0.567 nan 8.370 nan 0.000 0.464 887 L N 0.367 121.526 121.223 -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 -0.191 108.690 108.800 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 0.689 45.959 45.100 0.282 0.000 0.757 888 G HN 0.601 nan 8.290 nan 0.000 0.559 889 Q N -0.228 119.660 119.800 0.148 0.000 2.194 889 Q HA 0.136 4.476 4.340 -0.000 0.000 0.214 889 Q C 0.264 176.336 176.000 0.120 0.000 0.838 889 Q CA -0.598 55.274 55.803 0.115 0.000 0.972 889 Q CB -0.033 28.742 28.738 0.062 0.000 1.131 889 Q HN 0.245 nan 8.270 nan 0.000 0.498 890 N N 1.630 120.434 118.700 0.174 0.000 2.483 890 N HA 0.018 4.758 4.740 -0.000 0.000 0.264 890 N C 1.013 176.605 175.510 0.136 0.000 1.197 890 N CA 0.078 53.222 53.050 0.157 0.000 0.927 890 N CB 0.894 39.517 38.487 0.226 0.000 1.065 890 N HN 0.332 nan 8.380 nan 0.000 0.461 891 L N 3.063 124.323 121.223 0.062 0.000 2.081 891 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 891 L C 2.202 179.081 176.870 0.015 0.000 1.080 891 L CA 1.152 56.017 54.840 0.041 0.000 0.754 891 L CB -0.412 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 1.861 178.548 176.870 -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 -0.838 119.502 120.300 0.068 0.000 2.462 893 Y HA 0.464 5.014 4.550 -0.000 0.000 0.261 893 Y C 2.243 178.254 175.900 0.186 0.000 1.146 893 Y CA 0.303 58.468 58.100 0.108 0.000 1.283 893 Y CB -0.176 38.358 38.460 0.123 0.000 1.090 893 Y HN 0.283 nan 8.280 nan 0.000 0.526 894 A N -0.142 122.814 122.820 0.227 0.000 1.963 894 A HA 0.030 4.350 4.320 -0.000 0.000 0.207 894 A C 1.598 179.251 177.584 0.115 0.000 1.243 894 A CA 0.536 52.672 52.037 0.165 0.000 0.728 894 A CB -0.257 18.816 19.000 0.122 0.000 0.895 894 A HN 0.210 nan 8.150 nan 0.000 0.467 895 N N 0.855 119.608 118.700 0.089 0.000 2.573 895 N HA -0.004 4.736 4.740 -0.000 0.000 0.187 895 N C 0.096 175.637 175.510 0.052 0.000 1.107 895 N CA 1.023 54.106 53.050 0.055 0.000 0.918 895 N CB -0.055 38.451 38.487 0.032 0.000 0.966 895 N HN 0.593 nan 8.380 nan 0.000 0.448 896 S N -2.285 113.473 115.700 0.096 0.000 2.587 896 S HA 0.734 5.204 4.470 -0.000 0.000 0.269 896 S C -1.174 173.486 174.600 0.100 0.000 1.154 896 S CA -1.070 57.152 58.200 0.037 0.000 0.824 896 S CB 1.479 64.638 63.200 -0.069 0.000 1.118 896 S HN 0.083 nan 8.310 nan 0.000 0.462 897 A N 1.406 124.214 122.820 -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 -0.450 51.632 52.037 0.075 0.000 0.819 897 A CB 0.276 19.291 19.000 0.026 0.000 1.094 897 A HN 0.835 nan 8.150 nan 0.000 0.492 898 H N -0.267 119.036 119.070 0.388 0.000 2.895 898 H HA 0.610 5.166 4.556 -0.000 0.000 0.373 898 H C -0.255 175.379 175.328 0.510 0.000 1.174 898 H CA -0.216 56.071 56.048 0.398 0.000 1.144 898 H CB 2.224 32.203 29.762 0.363 0.000 1.793 898 H HN 0.875 nan 8.280 nan 0.000 0.551 899 A N 1.877 124.967 122.820 0.449 0.000 2.306 899 A HA 0.571 4.891 4.320 -0.000 0.000 0.330 899 A C -0.986 176.735 177.584 0.229 0.000 1.146 899 A CA -0.536 51.696 52.037 0.325 0.000 0.827 899 A CB 1.015 20.126 19.000 0.185 0.000 1.178 899 A HN 0.440 nan 8.150 nan 0.000 0.490 900 L N 1.183 122.489 121.223 0.137 0.000 2.408 900 L HA 0.623 4.963 4.340 -0.000 0.000 0.268 900 L C -1.609 175.224 176.870 -0.062 0.000 0.986 900 L CA -0.196 54.554 54.840 -0.149 0.000 0.820 900 L CB 2.191 44.041 42.059 -0.348 0.000 1.303 900 L HN 0.672 nan 8.230 nan 0.000 0.411 901 D N 6.354 126.666 120.400 -0.148 0.000 2.505 901 D HA 0.509 5.149 4.640 -0.000 0.000 0.249 901 D C -0.869 175.331 176.300 -0.167 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 0.980 120.492 119.600 -0.148 0.000 2.464 902 M HA 0.333 4.813 4.480 -0.000 0.000 0.308 902 M C -0.839 175.327 176.300 -0.224 0.000 1.127 902 M CA -0.569 54.571 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 2.760 117.104 114.554 -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 -0.218 0.000 0.988 903 T CB 0.478 69.268 68.868 -0.130 0.000 0.972 903 T HN 0.269 nan 8.240 nan 0.000 0.447 904 F N 1.709 121.580 119.950 -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 -0.908 57.032 58.000 -0.100 0.000 1.038 904 F CB 1.365 40.325 39.000 -0.067 0.000 1.156 904 F HN 0.410 nan 8.300 nan 0.000 0.483 905 E N 2.662 122.941 120.200 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 1.832 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 0.514 120.399 119.914 -0.050 0.000 3.074 906 V HA 0.539 4.659 4.120 -0.000 0.000 0.314 906 V C -0.338 175.691 176.094 -0.108 0.000 1.117 906 V CA -1.059 61.146 62.300 -0.158 0.000 1.014 906 V CB 1.989 33.607 31.823 -0.342 0.000 1.057 906 V HN 0.453 nan 8.190 nan 0.000 0.438 907 D N 2.604 122.931 120.400 -0.122 0.000 2.372 907 D HA 0.395 5.035 4.640 -0.000 0.000 0.243 907 D C -2.512 173.746 176.300 -0.070 0.000 1.121 907 D CA -0.828 53.132 54.000 -0.067 0.000 0.898 907 D CB 1.161 41.933 40.800 -0.047 0.000 1.202 907 D HN 0.578 nan 8.370 nan 0.000 0.428 908 P HA 0.231 nan 4.420 nan 0.000 0.279 908 P C -0.488 176.802 177.300 -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 1.934 121.524 119.600 -0.018 0.000 2.395 909 M HA 0.190 4.670 4.480 -0.000 0.000 0.307 909 M C 0.252 176.556 176.300 0.007 0.000 1.091 909 M CA -0.653 54.647 55.300 -0.001 0.000 0.919 909 M CB 2.066 34.658 32.600 -0.014 0.000 1.662 909 M HN 0.245 nan 8.290 nan 0.000 0.440 910 D N 0.656 121.069 120.400 0.023 0.000 2.355 910 D HA -0.041 4.599 4.640 -0.000 0.000 0.253 910 D C -0.220 176.089 176.300 0.015 0.000 1.187 910 D CA 0.263 54.276 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 -1.449 118.756 120.200 0.009 0.000 2.390 911 E HA 0.453 4.803 4.350 -0.000 0.000 0.277 911 E C -3.177 173.419 176.600 -0.005 0.000 0.939 911 E CA -2.560 53.842 56.400 0.004 0.000 0.769 911 E CB 1.528 31.235 29.700 0.011 0.000 1.251 911 E HN -0.232 nan 8.360 nan 0.000 0.450 912 P HA 0.044 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 0.283 63.375 63.100 -0.014 0.000 0.765 912 P CB 0.764 32.454 31.700 -0.017 0.000 0.828 913 T N 0.740 115.283 114.554 -0.017 0.000 2.742 913 T HA 0.800 5.150 4.350 -0.000 0.000 0.282 913 T C -0.678 174.018 174.700 -0.008 0.000 1.025 913 T CA -0.888 61.200 62.100 -0.019 0.000 1.020 913 T CB 0.907 69.751 68.868 -0.040 0.000 1.317 913 T HN 0.150 nan 8.240 nan 0.000 0.538 914 L N 0.639 121.866 121.223 0.006 0.000 2.422 914 L HA 0.622 4.962 4.340 -0.000 0.000 0.264 914 L C -1.309 175.609 176.870 0.080 0.000 0.984 914 L CA -1.244 53.619 54.840 0.038 0.000 0.819 914 L CB 2.257 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 2.851 124.141 121.223 0.112 0.000 2.255 915 L HA 0.394 4.734 4.340 -0.000 0.000 0.289 915 L C -1.106 175.923 176.870 0.265 0.000 1.046 915 L CA -0.097 54.816 54.840 0.122 0.000 0.816 915 L CB 0.567 42.589 42.059 -0.062 0.000 1.197 915 L HN 0.433 nan 8.230 nan 0.000 0.427 916 Y N 6.053 126.425 120.300 0.121 0.000 2.404 916 Y HA 0.569 5.119 4.550 -0.000 0.000 0.344 916 Y C -1.061 174.918 175.900 0.132 0.000 0.970 916 Y CA -1.290 56.893 58.100 0.139 0.000 1.180 916 Y CB 0.881 39.427 38.460 0.144 0.000 1.138 916 Y HN 0.358 nan 8.280 nan 0.000 0.510 917 V N 7.668 127.784 119.914 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 1.624 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 43.040 42.059 -0.232 0.000 1.203 918 L HN 0.523 nan 8.230 nan 0.000 0.423 919 F N 1.834 121.751 119.950 -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 57.360 58.000 -0.068 0.000 1.151 919 F CB 0.679 39.466 39.000 -0.355 0.000 1.282 919 F HN 0.446 nan 8.300 nan 0.000 0.513 920 E N 3.582 123.712 120.200 -0.116 0.000 2.351 920 E HA 0.344 4.694 4.350 -0.000 0.000 0.266 920 E C -0.052 176.418 176.600 -0.217 0.000 1.031 920 E CA -0.215 56.029 56.400 -0.259 0.000 0.911 920 E CB 0.890 30.355 29.700 -0.392 0.000 0.986 920 E HN 0.484 nan 8.360 nan 0.000 0.446 921 V N -0.089 119.709 119.914 -0.194 0.000 3.065 921 V HA 0.562 4.682 4.120 -0.000 0.000 0.312 921 V C -1.346 174.562 176.094 -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 1.205 121.150 119.950 -0.008 0.000 2.411 922 F HA 0.696 5.223 4.527 -0.000 0.000 0.352 922 F C -0.068 175.724 175.800 -0.013 0.000 1.123 922 F CA -0.184 57.798 58.000 -0.029 0.000 1.044 922 F CB 1.293 40.288 39.000 -0.007 0.000 1.135 922 F HN 0.576 nan 8.300 nan 0.000 0.461 923 D N 3.976 124.399 120.400 0.038 0.000 2.438 923 D HA 0.474 5.114 4.640 -0.000 0.000 0.257 923 D C -1.086 175.209 176.300 -0.008 0.000 1.148 923 D CA 0.022 54.018 54.000 -0.007 0.000 0.902 923 D CB 1.112 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 2.192 122.230 119.914 0.207 0.000 3.001 924 V HA 0.674 4.794 4.120 -0.000 0.000 0.314 924 V C -0.101 176.156 176.094 0.271 0.000 1.099 924 V CA -0.852 61.606 62.300 0.264 0.000 0.989 924 V CB 2.357 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 1.806 121.833 119.914 0.187 0.000 2.841 925 V HA 0.636 4.756 4.120 -0.000 0.000 0.310 925 V C -0.519 175.551 176.094 -0.041 0.000 1.090 925 V CA -0.848 61.387 62.300 -0.108 0.000 0.930 925 V CB 2.114 33.691 31.823 -0.409 0.000 1.014 925 V HN 0.848 nan 8.190 nan 0.000 0.425 926 R N 1.968 122.418 120.500 -0.084 0.000 2.439 926 R HA 0.727 5.067 4.340 -0.000 0.000 0.310 926 R C -1.750 174.541 176.300 -0.014 0.000 0.955 926 R CA -0.367 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 4.673 124.604 119.914 0.028 0.000 2.394 927 V HA 0.293 4.413 4.120 -0.000 0.000 0.282 927 V C 0.046 176.213 176.094 0.122 0.000 1.031 927 V CA -0.618 61.727 62.300 0.075 0.000 0.881 927 V CB 1.220 33.108 31.823 0.108 0.000 0.982 927 V HN 0.668 nan 8.190 nan 0.000 0.451 928 H N 5.507 124.586 119.070 0.015 0.000 2.466 928 H HA 0.554 5.110 4.556 -0.000 0.000 0.338 928 H C -0.425 174.917 175.328 0.024 0.000 1.091 928 H CA -0.830 55.224 56.048 0.009 0.000 1.207 928 H CB 1.371 31.138 29.762 0.008 0.000 1.466 928 H HN 0.570 nan 8.280 nan 0.000 0.493 929 R N 5.883 126.162 120.500 -0.368 0.000 2.738 929 R HA 0.186 4.526 4.340 -0.000 0.000 0.280 929 R C -1.997 174.068 176.300 -0.391 0.000 1.456 929 R CA -1.692 54.257 56.100 -0.252 0.000 1.612 929 R CB 0.484 30.738 30.300 -0.076 0.000 1.286 929 R HN 0.501 nan 8.270 nan 0.000 0.660 930 P HA -0.146 nan 4.420 nan 0.000 0.216 930 P C -0.519 176.344 177.300 -0.727 0.000 1.153 930 P CA 1.505 64.198 63.100 -0.677 0.000 0.858 930 P CB 0.269 31.658 31.700 -0.519 0.000 0.789 931 H N -3.848 115.185 119.070 -0.061 0.000 2.977 931 H HA 0.387 4.943 4.556 -0.000 0.000 0.350 931 H C -0.007 175.315 175.328 -0.010 0.000 1.238 931 H CA -1.118 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 1.022 121.605 120.500 0.138 0.000 2.494 932 R HA 0.060 4.400 4.340 -0.000 0.000 0.291 932 R C 0.310 176.610 176.300 0.000 0.000 0.953 932 R CA 1.410 57.543 56.100 0.055 0.000 1.098 932 R CB -0.516 29.802 30.300 0.031 0.000 0.911 932 R HN 1.097 nan 8.270 nan 0.000 0.407 933 G N 2.603 111.354 108.800 -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 -0.386 174.470 174.900 -0.074 0.000 1.047 933 G CA 0.273 45.206 45.100 -0.280 0.000 0.869 933 G HN 0.489 nan 8.290 nan 0.000 0.502 934 V N 1.120 121.082 119.914 0.080 0.000 2.488 934 V HA 0.564 4.684 4.120 -0.000 0.000 0.293 934 V C 0.170 176.356 176.094 0.152 0.000 1.027 934 V CA -0.762 61.609 62.300 0.120 0.000 0.862 934 V CB 1.643 33.542 31.823 0.126 0.000 1.008 934 V HN 0.402 nan 8.190 nan 0.000 0.428 935 I N 3.203 123.881 120.570 0.180 0.000 2.411 935 I HA 0.618 4.788 4.170 -0.000 0.000 0.284 935 I C -0.289 175.913 176.117 0.143 0.000 1.012 935 I CA -0.530 60.864 61.300 0.155 0.000 1.119 935 I CB 1.676 39.775 38.000 0.165 0.000 1.261 935 I HN 0.505 nan 8.210 nan 0.000 0.448 936 E N 4.557 124.843 120.200 0.143 0.000 2.183 936 E HA 0.569 4.919 4.350 -0.000 0.000 0.271 936 E C -0.596 176.093 176.600 0.148 0.000 0.919 936 E CA -0.749 55.747 56.400 0.160 0.000 0.781 936 E CB 2.445 32.261 29.700 0.193 0.000 1.140 936 E HN 0.711 nan 8.360 nan 0.000 0.402 937 T N -1.592 113.047 114.554 0.141 0.000 2.908 937 T HA 0.625 4.975 4.350 -0.000 0.000 0.290 937 T C -0.557 174.207 174.700 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 2.688 122.613 119.914 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 0.419 32.268 31.823 0.044 0.000 1.009 938 V HN 0.886 nan 8.190 nan 0.000 0.428 939 Y N 4.943 125.313 120.300 0.116 0.000 2.334 939 Y HA 0.744 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 1.758 40.324 38.460 0.177 0.000 1.207 939 Y HN 0.527 nan 8.280 nan 0.000 0.471 940 L N 4.494 125.892 121.223 0.292 0.000 2.516 940 L HA 0.514 4.854 4.340 -0.000 0.000 0.267 940 L C -1.377 175.622 176.870 0.215 0.000 0.957 940 L CA -0.802 54.159 54.840 0.203 0.000 0.860 940 L CB 1.560 43.694 42.059 0.125 0.000 1.265 940 L HN 0.649 nan 8.230 nan 0.000 0.403 941 R N 3.583 124.199 120.500 0.193 0.000 2.371 941 R HA 0.729 5.069 4.340 -0.000 0.000 0.312 941 R C -1.497 174.906 176.300 0.171 0.000 0.980 941 R CA -0.035 56.180 56.100 0.191 0.000 0.867 941 R CB 1.152 31.567 30.300 0.192 0.000 1.163 941 R HN 0.836 nan 8.270 nan 0.000 0.492 942 T N 2.268 116.941 114.554 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 -1.887 60.326 62.100 0.188 0.000 0.993 942 T CB 2.322 71.260 68.868 0.117 0.000 1.045 942 T HN 0.227 nan 8.240 nan 0.000 0.454 943 P HA 0.439 nan 4.420 nan 0.000 0.312 943 P C -0.234 177.207 177.300 0.236 0.000 1.307 943 P CA -0.585 62.604 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 -3.045 116.796 119.950 -0.182 0.000 2.905 944 F HA -0.184 4.343 4.527 -0.000 0.000 0.291 944 F C 0.197 175.960 175.800 -0.063 0.000 1.002 944 F CA 0.189 58.093 58.000 -0.160 0.000 0.978 944 F CB -2.785 36.128 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 0.642 5.112 4.470 -0.000 0.000 0.281 945 S C 0.745 175.380 174.600 0.057 0.000 1.333 945 S CA -0.329 57.905 58.200 0.056 0.000 1.052 945 S CB 1.401 64.613 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