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_I DATA FIRST_RESID 5 DATA SEQUENCE MMPQWSYMHI SGQDASEYLS PGLVQFARAT ETYFSLNNKF RNPTVAPTHD DATA SEQUENCE VTTDRSQRLT LRFIPVDRED TAYSYKARFT LAVGDNRVLD MASTYFDIRG DATA SEQUENCE VLDRGPTFKP YSGTAYNALA PKGAPNPCEW DXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX THVFGQAPYS GINITKEGIQ IGXXXXXXKY ADKTFQPEPQ DATA SEQUENCE IGESQWYETE INHAAGRVLK KTTPMKPCYG SYAKPTNENG GQGILVXXXX DATA SEQUENCE XXXESQVEMQ FFSTTXXXXX XXXNLTPKVV LYSEDVDIET PDTHISYMPT DATA SEQUENCE IKEGNSRELM GQQSMPNRPN YIAFRDNFIG LMYYNSTGNM GVLAGQASQL DATA SEQUENCE NAVVDLQDRN TELSYQLLLD SIGDRTRYFS MWNQAVDSYD PDVRIIENHG DATA SEQUENCE TEDELPNYCF PLGGVINTET LTKVKPXXXX XXGWEKDAXX FSDKNEIRVG DATA SEQUENCE NNFAMEINLN ANLWRNFLYS NIALYLPDKL KYSPSNVKIS DNPNTYDYMN DATA SEQUENCE KRVVAPGLVD CYINLGARWS LDYMDNVNPF NHHRNAGLRY RSMLLGNGRY DATA SEQUENCE VPFHIQVPQK FFAIKNLLLL PGSYTYEWNF RKDVNMVLQS SLGNDLRVDG DATA SEQUENCE ASIKFDSICL YATFFPMAHN TASTLEAMLR NDTNDQSFND YLSAANMLYP DATA SEQUENCE IPANATNVPI SIPSRNWAAF RGWAFTRLKT KETPSLGSGY DPYYTYSGSI DATA SEQUENCE PYLDGTFYLN HTFKKVAITF DSSVSWPGND RLLTPNEFEI KRSVDGEGYN DATA SEQUENCE VAQCNMTKDW FLVQMLANYN IGYQGFYIPE SYKDRMYSFF RNFQPMSRQV DATA SEQUENCE VDDTKYKDYQ QVGILHQHNN SGFVGYLAPT MREGQAYPAN FPYPLIGKTA DATA SEQUENCE VDSITQKKFL CDRTLWRIPF SSNFMSMGAL TDLGQNLLYA NSAHALDMTF DATA SEQUENCE EVDPMDEPTL LYVLFEVFDV VRVHRPHRGV IETVYLRTPF SA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 175.622 176.300 -1.130 0.000 1.140 5 M CA 0.000 54.518 55.300 -1.303 0.000 0.988 5 M CB 0.000 32.160 32.600 -0.733 0.000 1.302 6 M N 0.554 119.713 119.600 -0.735 0.000 5.905 6 M HA -0.276 4.204 4.480 -0.000 0.000 0.326 6 M C -0.286 175.923 176.300 -0.151 0.000 0.705 6 M CA 2.896 58.019 55.300 -0.295 0.000 0.949 6 M CB -2.936 29.572 32.600 -0.153 0.000 1.421 6 M HN 0.737 nan 8.290 nan 0.000 0.862 7 P HA -0.257 nan 4.420 nan 0.000 0.216 7 P C 1.450 178.761 177.300 0.018 0.000 1.151 7 P CA 2.443 65.512 63.100 -0.052 0.000 0.953 7 P CB -0.476 31.172 31.700 -0.086 0.000 0.789 8 Q N -2.184 117.618 119.800 0.003 0.000 2.096 8 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 8 Q C 2.306 178.471 176.000 0.276 0.000 0.982 8 Q CA 1.533 57.411 55.803 0.125 0.000 0.850 8 Q CB -0.661 28.154 28.738 0.128 0.000 0.901 8 Q HN 0.338 nan 8.270 nan 0.000 0.422 9 W N 1.253 122.561 121.300 0.014 0.000 2.333 9 W HA -0.165 4.495 4.660 -0.000 0.000 0.316 9 W C 2.634 179.142 176.519 -0.017 0.000 1.215 9 W CA 1.340 58.690 57.345 0.008 0.000 1.278 9 W CB -1.249 28.222 29.460 0.018 0.000 1.154 9 W HN 0.125 nan 8.180 nan 0.000 0.486 10 S N -1.036 114.792 115.700 0.215 0.000 2.368 10 S HA -0.240 4.230 4.470 -0.000 0.000 0.224 10 S C 1.667 176.172 174.600 -0.158 0.000 1.029 10 S CA 1.307 59.548 58.200 0.069 0.000 0.988 10 S CB -1.307 61.943 63.200 0.083 0.000 0.838 10 S HN 0.264 nan 8.310 nan 0.000 0.462 11 Y N 2.132 122.317 120.300 -0.192 0.000 2.128 11 Y HA -0.070 4.480 4.550 -0.000 0.000 0.284 11 Y C 2.115 177.740 175.900 -0.459 0.000 1.154 11 Y CA 1.433 59.354 58.100 -0.298 0.000 1.149 11 Y CB -0.241 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 -0.730 118.768 119.600 -0.169 0.000 2.618 12 M HA -0.017 4.463 4.480 -0.000 0.000 0.240 12 M C 0.071 176.284 176.300 -0.144 0.000 1.123 12 M CA 0.885 56.095 55.300 -0.150 0.000 1.060 12 M CB -1.120 31.510 32.600 0.050 0.000 1.535 12 M HN 0.421 nan 8.290 nan 0.000 0.507 13 H N -1.966 117.067 119.070 -0.061 0.000 3.109 13 H HA -0.146 4.410 4.556 -0.000 0.000 0.245 13 H C 1.337 176.662 175.328 -0.005 0.000 1.187 13 H CA 0.828 56.844 56.048 -0.052 0.000 1.136 13 H CB -2.257 27.451 29.762 -0.089 0.000 1.243 13 H HN 0.368 nan 8.280 nan 0.000 0.328 14 I N 0.456 121.055 120.570 0.050 0.000 2.493 14 I HA -0.140 4.030 4.170 -0.000 0.000 0.254 14 I C 1.459 177.539 176.117 -0.063 0.000 1.160 14 I CA 1.513 62.772 61.300 -0.068 0.000 1.445 14 I CB 0.195 38.048 38.000 -0.244 0.000 1.086 14 I HN 0.421 nan 8.210 nan 0.000 0.433 15 S N -1.479 114.262 115.700 0.069 0.000 2.705 15 S HA 0.828 5.298 4.470 -0.000 0.000 0.280 15 S C -0.122 174.585 174.600 0.178 0.000 1.174 15 S CA -0.159 58.114 58.200 0.122 0.000 0.823 15 S CB 1.518 64.842 63.200 0.206 0.000 1.162 15 S HN 0.486 nan 8.310 nan 0.000 0.487 16 G N 0.716 109.619 108.800 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 0.465 120.410 119.800 0.240 0.000 2.382 17 Q HA 0.503 4.843 4.340 -0.000 0.000 0.229 17 Q C -0.603 175.566 176.000 0.281 0.000 1.006 17 Q CA -0.425 55.521 55.803 0.238 0.000 0.916 17 Q CB 0.688 29.572 28.738 0.243 0.000 1.235 17 Q HN 0.511 nan 8.270 nan 0.000 0.512 18 D N -0.361 120.088 120.400 0.081 0.000 2.283 18 D HA 0.193 4.833 4.640 -0.000 0.000 0.248 18 D C 0.594 176.611 176.300 -0.472 0.000 1.072 18 D CA -0.043 53.911 54.000 -0.076 0.000 0.929 18 D CB 1.395 42.146 40.800 -0.082 0.000 1.182 18 D HN 0.648 nan 8.370 nan 0.000 0.433 19 A N 1.440 123.827 122.820 -0.723 0.000 1.958 19 A HA -0.248 4.072 4.320 -0.000 0.000 0.221 19 A C 2.027 179.128 177.584 -0.806 0.000 1.178 19 A CA 2.611 53.902 52.037 -1.243 0.000 0.642 19 A CB -0.771 17.852 19.000 -0.629 0.000 0.816 19 A HN 0.585 nan 8.150 nan 0.000 0.453 20 S N -0.084 115.355 115.700 -0.435 0.000 2.419 20 S HA -0.185 4.285 4.470 -0.000 0.000 0.233 20 S C 1.463 175.928 174.600 -0.226 0.000 1.016 20 S CA 1.500 59.533 58.200 -0.277 0.000 0.974 20 S CB -0.361 62.737 63.200 -0.170 0.000 0.786 20 S HN 0.765 nan 8.310 nan 0.000 0.492 21 E N 0.338 120.405 120.200 -0.222 0.000 2.251 21 E HA 0.062 4.412 4.350 -0.000 0.000 0.194 21 E C 1.862 178.438 176.600 -0.039 0.000 0.964 21 E CA 0.704 57.046 56.400 -0.096 0.000 0.868 21 E CB -0.301 29.385 29.700 -0.023 0.000 0.828 21 E HN 0.866 nan 8.360 nan 0.000 0.481 22 Y N 0.887 121.159 120.300 -0.047 0.000 2.365 22 Y HA 0.236 4.786 4.550 -0.000 0.000 0.293 22 Y C 0.812 176.674 175.900 -0.062 0.000 1.119 22 Y CA -0.157 57.928 58.100 -0.025 0.000 1.203 22 Y CB -0.509 37.976 38.460 0.041 0.000 1.026 22 Y HN -0.205 nan 8.280 nan 0.000 0.549 23 L N 1.850 122.967 121.223 -0.177 0.000 2.472 23 L HA 0.175 4.515 4.340 -0.000 0.000 0.260 23 L C 1.008 177.821 176.870 -0.095 0.000 1.209 23 L CA -0.288 54.462 54.840 -0.150 0.000 0.817 23 L CB 0.454 42.258 42.059 -0.424 0.000 1.106 23 L HN 0.343 nan 8.230 nan 0.000 0.479 24 S N 0.815 116.470 115.700 -0.075 0.000 2.585 24 S HA 0.177 4.647 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 -1.071 57.101 58.200 -0.046 0.000 1.028 24 S CB 1.028 64.213 63.200 -0.027 0.000 0.906 24 S HN 0.402 nan 8.310 nan 0.000 0.528 25 P HA 0.033 nan 4.420 nan 0.000 0.217 25 P C 1.702 178.991 177.300 -0.017 0.000 1.150 25 P CA 1.583 64.663 63.100 -0.034 0.000 0.832 25 P CB -0.549 31.140 31.700 -0.019 0.000 0.787 26 G N 0.328 109.125 108.800 -0.006 0.000 2.418 26 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 26 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 26 G C 1.481 176.408 174.900 0.044 0.000 1.158 26 G CA 0.641 45.755 45.100 0.023 0.000 0.771 26 G HN 0.240 nan 8.290 nan 0.000 0.545 27 L N 0.793 122.008 121.223 -0.013 0.000 2.046 27 L HA 0.012 4.352 4.340 -0.000 0.000 0.208 27 L C 2.907 179.774 176.870 -0.005 0.000 1.077 27 L CA 1.415 56.235 54.840 -0.033 0.000 0.747 27 L CB -0.589 41.392 42.059 -0.130 0.000 0.896 27 L HN 0.077 nan 8.230 nan 0.000 0.432 28 V N -0.093 119.781 119.914 -0.068 0.000 2.287 28 V HA -0.374 3.746 4.120 -0.000 0.000 0.248 28 V C 3.109 179.197 176.094 -0.011 0.000 1.053 28 V CA 2.379 64.631 62.300 -0.079 0.000 1.027 28 V CB -1.406 30.353 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 -0.320 4.020 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 2.354 58.174 55.803 0.028 0.000 0.843 29 Q CB -1.185 27.574 28.738 0.035 0.000 0.904 29 Q HN 0.696 nan 8.270 nan 0.000 0.420 30 F N 1.371 121.301 119.950 -0.032 0.000 2.095 30 F HA -0.047 4.480 4.527 -0.000 0.000 0.298 30 F C 2.590 178.373 175.800 -0.028 0.000 1.104 30 F CA 1.713 59.703 58.000 -0.017 0.000 1.232 30 F CB -0.670 38.329 39.000 -0.002 0.000 0.987 30 F HN 0.350 nan 8.300 nan 0.000 0.475 31 A N 0.591 123.583 122.820 0.287 0.000 1.892 31 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 31 A C 2.424 180.002 177.584 -0.009 0.000 1.188 31 A CA 2.999 55.133 52.037 0.162 0.000 0.631 31 A CB -1.558 17.494 19.000 0.086 0.000 0.822 31 A HN 0.480 nan 8.150 nan 0.000 0.447 32 R N -0.821 119.659 120.500 -0.034 0.000 2.096 32 R HA 0.164 4.504 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 58.277 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 0.967 nan 8.270 nan 0.000 0.440 33 A N 0.662 123.387 122.820 -0.159 0.000 1.970 33 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 33 A C 2.519 179.906 177.584 -0.328 0.000 1.170 33 A CA 2.041 53.957 52.037 -0.202 0.000 0.645 33 A CB -0.492 18.384 19.000 -0.207 0.000 0.816 33 A HN 0.675 nan 8.150 nan 0.000 0.447 34 T N -3.338 110.915 114.554 -0.502 0.000 3.067 34 T HA 0.237 4.587 4.350 -0.000 0.000 0.257 34 T C 1.709 176.011 174.700 -0.663 0.000 1.105 34 T CA 1.490 63.082 62.100 -0.847 0.000 1.104 34 T CB -0.353 68.127 68.868 -0.647 0.000 0.925 34 T HN 0.616 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 -0.348 4.002 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 2.918 59.209 56.400 -0.182 0.000 0.930 35 E CB -2.266 27.368 29.700 -0.110 0.000 0.806 35 E HN 0.958 nan 8.360 nan 0.000 0.478 36 T N -2.333 112.142 114.554 -0.130 0.000 3.007 36 T HA -0.031 4.319 4.350 -0.000 0.000 0.270 36 T C 1.811 176.561 174.700 0.083 0.000 1.107 36 T CA 1.627 63.723 62.100 -0.007 0.000 1.118 36 T CB -0.475 68.429 68.868 0.059 0.000 0.889 36 T HN 0.917 nan 8.240 nan 0.000 0.506 37 Y N -1.651 118.680 120.300 0.052 0.000 2.423 37 Y HA 0.685 5.235 4.550 -0.000 0.000 0.257 37 Y C 0.161 176.189 175.900 0.213 0.000 1.087 37 Y CA -2.072 56.085 58.100 0.095 0.000 1.258 37 Y CB 0.644 39.145 38.460 0.069 0.000 1.237 37 Y HN 0.138 nan 8.280 nan 0.000 0.517 38 F N 2.040 121.896 119.950 -0.156 0.000 3.240 38 F HA 0.463 4.990 4.527 -0.000 0.000 0.370 38 F C -0.855 174.905 175.800 -0.067 0.000 1.271 38 F CA -1.395 56.579 58.000 -0.042 0.000 1.224 38 F CB 0.937 39.968 39.000 0.052 0.000 1.624 38 F HN -0.007 nan 8.300 nan 0.000 0.658 39 S N 5.861 121.335 115.700 -0.376 0.000 2.525 39 S HA 0.591 5.061 4.470 -0.000 0.000 0.278 39 S C 0.142 174.589 174.600 -0.255 0.000 1.234 39 S CA -0.538 57.516 58.200 -0.243 0.000 1.058 39 S CB 1.255 64.370 63.200 -0.141 0.000 0.983 39 S HN 0.754 nan 8.310 nan 0.000 0.495 40 L N 2.959 124.162 121.223 -0.032 0.000 2.766 40 L HA 0.262 4.602 4.340 -0.000 0.000 0.242 40 L C 2.712 179.678 176.870 0.159 0.000 1.136 40 L CA 0.410 55.311 54.840 0.101 0.000 0.933 40 L CB -1.173 41.086 42.059 0.332 0.000 1.241 40 L HN 0.870 nan 8.230 nan 0.000 0.522 41 N N 1.724 120.468 118.700 0.074 0.000 2.094 41 N HA -0.255 4.485 4.740 -0.000 0.000 0.191 41 N C 1.482 177.016 175.510 0.040 0.000 1.023 41 N CA 1.918 55.016 53.050 0.080 0.000 0.857 41 N CB -0.917 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 0.502 119.175 118.700 -0.045 0.000 2.501 42 N HA -0.072 4.668 4.740 -0.000 0.000 0.195 42 N C 0.377 175.793 175.510 -0.157 0.000 1.213 42 N CA 0.584 53.586 53.050 -0.080 0.000 0.864 42 N CB -0.010 38.427 38.487 -0.082 0.000 0.999 42 N HN 0.706 nan 8.380 nan 0.000 0.454 43 K N -0.507 119.719 120.400 -0.290 0.000 2.387 43 K HA 0.185 4.505 4.320 -0.000 0.000 0.203 43 K C -0.826 175.256 176.600 -0.863 0.000 1.030 43 K CA -0.233 55.706 56.287 -0.580 0.000 1.099 43 K CB 0.213 32.303 32.500 -0.683 0.000 0.863 43 K HN 0.008 nan 8.250 nan 0.000 0.529 44 F N 2.996 122.941 119.950 -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 1.361 40.350 39.000 -0.018 0.000 1.194 44 F HN -0.090 nan 8.300 nan 0.000 0.438 45 R N 1.578 122.181 120.500 0.172 0.000 2.490 45 R HA 0.445 4.785 4.340 -0.000 0.000 0.280 45 R C -0.987 175.386 176.300 0.123 0.000 1.077 45 R CA -0.502 55.665 56.100 0.111 0.000 1.065 45 R CB 0.604 30.954 30.300 0.084 0.000 1.003 45 R HN 0.445 nan 8.270 nan 0.000 0.470 46 N N 3.545 122.291 118.700 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 -1.450 51.636 53.050 0.061 0.000 0.915 46 N CB 1.819 40.312 38.487 0.009 0.000 1.187 46 N HN 0.542 nan 8.380 nan 0.000 0.507 47 P HA 0.131 nan 4.420 nan 0.000 0.272 47 P C -0.427 176.892 177.300 0.032 0.000 1.223 47 P CA -0.109 63.028 63.100 0.061 0.000 0.784 47 P CB 0.507 32.263 31.700 0.094 0.000 0.923 48 T N -1.364 113.192 114.554 0.005 0.000 2.906 48 T HA 0.495 4.845 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 0.306 69.169 68.868 -0.009 0.000 0.972 48 T HN 0.108 nan 8.240 nan 0.000 0.447 49 V N 2.839 122.751 119.914 -0.005 0.000 2.384 49 V HA 0.774 4.894 4.120 -0.000 0.000 0.287 49 V C 0.851 176.943 176.094 -0.004 0.000 1.020 49 V CA -1.043 61.252 62.300 -0.009 0.000 0.850 49 V CB 1.118 32.952 31.823 0.018 0.000 0.987 49 V HN 1.231 nan 8.190 nan 0.000 0.436 50 A N 7.108 129.921 122.820 -0.011 0.000 2.386 50 A HA 0.699 5.019 4.320 -0.000 0.000 0.248 50 A C -2.013 175.568 177.584 -0.007 0.000 1.082 50 A CA -0.937 51.096 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 0.712 nan 8.150 nan 0.000 0.490 51 P HA 0.233 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 0.057 63.112 63.100 -0.075 0.000 0.786 51 P CB 0.727 32.363 31.700 -0.107 0.000 0.927 52 T N -2.566 111.939 114.554 -0.082 0.000 3.023 52 T HA 0.163 4.513 4.350 -0.000 0.000 0.253 52 T C 0.362 175.111 174.700 0.081 0.000 1.038 52 T CA 0.059 62.176 62.100 0.028 0.000 0.962 52 T CB -0.657 68.279 68.868 0.114 0.000 1.018 52 T HN 0.722 nan 8.240 nan 0.000 0.521 53 H N -1.912 117.189 119.070 0.052 0.000 3.016 53 H HA 0.630 5.186 4.556 -0.000 0.000 0.362 53 H C -0.933 174.430 175.328 0.059 0.000 1.233 53 H CA -0.807 55.271 56.048 0.050 0.000 1.124 53 H CB 0.539 30.326 29.762 0.042 0.000 1.850 53 H HN -0.127 nan 8.280 nan 0.000 0.549 54 D N 0.440 120.962 120.400 0.205 0.000 2.870 54 D HA -0.148 4.492 4.640 -0.000 0.000 0.228 54 D C 0.226 176.597 176.300 0.118 0.000 1.147 54 D CA 1.132 55.228 54.000 0.161 0.000 0.757 54 D CB -1.412 39.509 40.800 0.203 0.000 1.091 54 D HN 0.372 nan 8.370 nan 0.000 0.429 55 V N -1.314 118.675 119.914 0.125 0.000 3.161 55 V HA 0.095 4.215 4.120 -0.000 0.000 0.221 55 V C 1.094 177.343 176.094 0.259 0.000 1.296 55 V CA 1.216 63.626 62.300 0.183 0.000 1.306 55 V CB 1.040 32.952 31.823 0.149 0.000 1.171 55 V HN 0.119 nan 8.190 nan 0.000 0.513 56 T N 1.017 115.657 114.554 0.142 0.000 2.932 56 T HA 0.496 4.846 4.350 -0.000 0.000 0.289 56 T C -0.158 174.567 174.700 0.042 0.000 1.039 56 T CA -0.220 61.923 62.100 0.071 0.000 1.024 56 T CB 1.811 70.667 68.868 -0.020 0.000 1.090 56 T HN 0.384 nan 8.240 nan 0.000 0.496 57 T N 1.068 115.624 114.554 0.004 0.000 2.882 57 T HA 0.269 4.619 4.350 -0.000 0.000 0.287 57 T C 0.322 174.979 174.700 -0.072 0.000 1.014 57 T CA -0.689 61.367 62.100 -0.073 0.000 1.049 57 T CB 0.745 69.531 68.868 -0.137 0.000 1.001 57 T HN 0.443 nan 8.240 nan 0.000 0.525 58 D N -0.002 120.337 120.400 -0.102 0.000 2.423 58 D HA 0.116 4.756 4.640 -0.000 0.000 0.208 58 D C 0.673 176.928 176.300 -0.076 0.000 1.068 58 D CA 0.166 54.126 54.000 -0.066 0.000 0.860 58 D CB 0.388 41.158 40.800 -0.050 0.000 0.992 58 D HN 0.364 nan 8.370 nan 0.000 0.504 59 R N 0.329 120.750 120.500 -0.131 0.000 2.637 59 R HA 0.306 4.646 4.340 -0.000 0.000 0.269 59 R C 0.462 176.730 176.300 -0.054 0.000 1.089 59 R CA -0.193 55.843 56.100 -0.107 0.000 1.177 59 R CB 0.469 30.663 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 0.031 58.225 58.200 -0.009 0.000 1.063 60 S CB 0.120 63.317 63.200 -0.005 0.000 0.881 60 S HN 0.464 nan 8.310 nan 0.000 0.493 61 Q N 3.215 123.015 119.800 -0.002 0.000 2.518 61 Q HA 0.218 4.558 4.340 -0.000 0.000 0.254 61 Q C -1.349 174.644 176.000 -0.012 0.000 0.962 61 Q CA -0.768 55.033 55.803 -0.003 0.000 0.982 61 Q CB 0.781 29.539 28.738 0.034 0.000 1.516 61 Q HN 0.584 nan 8.270 nan 0.000 0.426 62 R N 3.016 123.497 120.500 -0.032 0.000 2.539 62 R HA 0.252 4.592 4.340 -0.000 0.000 0.275 62 R C 0.728 177.045 176.300 0.027 0.000 1.077 62 R CA 0.116 56.209 56.100 -0.012 0.000 1.097 62 R CB 0.619 30.898 30.300 -0.035 0.000 1.018 62 R HN 0.729 nan 8.270 nan 0.000 0.483 63 L N 0.440 121.705 121.223 0.070 0.000 2.202 63 L HA 0.060 4.400 4.340 -0.000 0.000 0.205 63 L C 0.673 177.683 176.870 0.233 0.000 1.083 63 L CA 1.040 55.960 54.840 0.133 0.000 0.790 63 L CB 0.042 42.155 42.059 0.089 0.000 0.942 63 L HN 0.486 nan 8.230 nan 0.000 0.452 64 T N 1.407 116.072 114.554 0.184 0.000 2.824 64 T HA 0.608 4.958 4.350 -0.000 0.000 0.282 64 T C -0.497 174.285 174.700 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 3.089 124.387 121.223 0.125 0.000 2.342 65 L HA 0.727 5.067 4.340 -0.000 0.000 0.271 65 L C 0.130 176.756 176.870 -0.406 0.000 1.008 65 L CA -1.194 53.546 54.840 -0.166 0.000 0.818 65 L CB 2.028 43.940 42.059 -0.245 0.000 1.296 65 L HN 0.552 nan 8.230 nan 0.000 0.427 66 R N 1.396 121.492 120.500 -0.673 0.000 2.561 66 R HA 0.647 4.987 4.340 -0.000 0.000 0.297 66 R C -1.980 173.864 176.300 -0.761 0.000 0.969 66 R CA -0.489 55.102 56.100 -0.850 0.000 0.879 66 R CB 1.448 31.121 30.300 -1.045 0.000 1.178 66 R HN 0.300 nan 8.270 nan 0.000 0.445 67 F N 3.510 123.325 119.950 -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 0.164 0.000 1.103 67 F CA -1.212 56.793 58.000 0.009 0.000 0.979 67 F CB 1.446 40.501 39.000 0.091 0.000 1.137 67 F HN 0.258 nan 8.300 nan 0.000 0.463 68 I N 4.035 124.824 120.570 0.366 0.000 2.488 68 I HA 0.333 4.503 4.170 -0.000 0.000 0.299 68 I C -2.168 174.132 176.117 0.305 0.000 0.984 68 I CA -3.556 57.922 61.300 0.298 0.000 1.250 68 I CB 0.796 38.878 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 -0.159 0.000 1.216 69 P CA -0.033 62.839 63.100 -0.381 0.000 0.771 69 P CB 1.160 32.548 31.700 -0.520 0.000 0.864 70 V N 1.503 121.315 119.914 -0.170 0.000 2.649 70 V HA -0.039 4.081 4.120 -0.000 0.000 0.248 70 V C 0.548 176.585 176.094 -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 0.659 nan 8.190 nan 0.000 0.463 71 D N -1.251 119.056 120.400 -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 -0.187 0.000 1.267 71 D CA -0.080 53.834 54.000 -0.142 0.000 0.884 71 D CB 1.401 42.133 40.800 -0.113 0.000 1.667 71 D HN 0.178 nan 8.370 nan 0.000 0.536 72 R N 2.014 122.411 120.500 -0.171 0.000 2.744 72 R HA 0.845 5.185 4.340 -0.000 0.000 0.279 72 R C -0.796 175.337 176.300 -0.277 0.000 0.977 72 R CA -0.826 55.142 56.100 -0.219 0.000 0.906 72 R CB 1.199 31.405 30.300 -0.156 0.000 1.197 72 R HN 0.576 nan 8.270 nan 0.000 0.463 73 E N 1.816 121.764 120.200 -0.420 0.000 2.502 73 E HA 0.144 4.494 4.350 -0.000 0.000 0.261 73 E C -1.660 174.608 176.600 -0.553 0.000 0.974 73 E CA -0.873 55.296 56.400 -0.386 0.000 0.795 73 E CB 1.830 31.378 29.700 -0.254 0.000 1.385 73 E HN 0.629 nan 8.360 nan 0.000 0.400 74 D N 2.329 122.401 120.400 -0.547 0.000 2.344 74 D HA 0.141 4.781 4.640 -0.000 0.000 0.253 74 D C -0.447 175.735 176.300 -0.197 0.000 1.255 74 D CA 0.486 54.233 54.000 -0.421 0.000 0.894 74 D CB 0.932 41.614 40.800 -0.197 0.000 1.067 74 D HN 0.155 nan 8.370 nan 0.000 0.492 75 T N 1.515 115.972 114.554 -0.160 0.000 2.889 75 T HA 0.528 4.878 4.350 -0.000 0.000 0.278 75 T C 1.417 176.028 174.700 -0.149 0.000 0.995 75 T CA -0.031 61.960 62.100 -0.181 0.000 0.966 75 T CB 1.410 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 0.349 123.037 122.820 -0.220 0.000 1.873 76 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 76 A C 1.450 178.998 177.584 -0.060 0.000 1.193 76 A CA 2.167 54.118 52.037 -0.143 0.000 0.629 76 A CB -0.878 18.049 19.000 -0.122 0.000 0.826 76 A HN 0.932 nan 8.150 nan 0.000 0.447 77 Y N -1.764 118.538 120.300 0.003 0.000 2.675 77 Y HA 0.535 5.085 4.550 -0.000 0.000 0.248 77 Y C 0.283 176.332 175.900 0.248 0.000 1.161 77 Y CA -0.444 57.708 58.100 0.086 0.000 1.203 77 Y CB -0.470 37.995 38.460 0.007 0.000 1.262 77 Y HN 0.350 nan 8.280 nan 0.000 0.544 78 S N -0.950 114.786 115.700 0.061 0.000 2.656 78 S HA 0.651 5.121 4.470 -0.000 0.000 0.273 78 S C -2.044 172.716 174.600 0.267 0.000 1.168 78 S CA -0.722 57.646 58.200 0.279 0.000 0.817 78 S CB 2.285 65.657 63.200 0.287 0.000 1.146 78 S HN 0.246 nan 8.310 nan 0.000 0.475 79 Y N 0.382 120.824 120.300 0.236 0.000 2.386 79 Y HA 0.671 5.221 4.550 -0.000 0.000 0.334 79 Y C -0.806 175.204 175.900 0.184 0.000 1.002 79 Y CA -0.491 57.719 58.100 0.183 0.000 1.068 79 Y CB 1.885 40.478 38.460 0.220 0.000 1.203 79 Y HN 0.968 nan 8.280 nan 0.000 0.443 80 K N 3.940 124.363 120.400 0.039 0.000 2.274 80 K HA 0.893 5.213 4.320 -0.000 0.000 0.262 80 K C -1.626 174.992 176.600 0.030 0.000 0.961 80 K CA -0.564 55.748 56.287 0.041 0.000 0.833 80 K CB 1.197 33.632 32.500 -0.109 0.000 1.102 80 K HN 0.668 nan 8.250 nan 0.000 0.436 81 A N 4.343 127.233 122.820 0.116 0.000 2.343 81 A HA 0.564 4.884 4.320 -0.000 0.000 0.308 81 A C -1.214 176.242 177.584 -0.213 0.000 1.092 81 A CA -0.798 51.199 52.037 -0.067 0.000 0.751 81 A CB 1.082 20.096 19.000 0.024 0.000 1.203 81 A HN 0.785 nan 8.150 nan 0.000 0.452 82 R N 2.288 122.534 120.500 -0.424 0.000 2.437 82 R HA 0.714 5.054 4.340 -0.000 0.000 0.310 82 R C -1.784 174.239 176.300 -0.462 0.000 0.955 82 R CA -0.312 55.620 56.100 -0.279 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 0.234 120.256 119.950 0.120 0.000 2.611 83 F HA 0.402 4.929 4.527 -0.000 0.000 0.324 83 F C 0.251 176.113 175.800 0.102 0.000 1.061 83 F CA -0.927 57.150 58.000 0.128 0.000 0.954 83 F CB 2.407 41.506 39.000 0.165 0.000 1.301 83 F HN 0.246 nan 8.300 nan 0.000 0.482 84 T N 3.234 117.951 114.554 0.271 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 -0.052 0.000 1.364 84 T CA -0.317 61.866 62.100 0.138 0.000 1.110 84 T CB -0.028 68.918 68.868 0.130 0.000 1.127 84 T HN 0.352 nan 8.240 nan 0.000 0.576 85 L N 4.154 125.314 121.223 -0.105 0.000 2.485 85 L HA 0.570 4.910 4.340 -0.000 0.000 0.279 85 L C 0.108 176.918 176.870 -0.099 0.000 1.124 85 L CA -0.301 54.287 54.840 -0.419 0.000 0.888 85 L CB -0.797 41.138 42.059 -0.208 0.000 1.217 85 L HN 0.559 nan 8.230 nan 0.000 0.464 86 A N 5.517 128.274 122.820 -0.105 0.000 2.287 86 A HA 0.676 4.996 4.320 -0.000 0.000 0.317 86 A C -0.795 176.974 177.584 0.309 0.000 1.220 86 A CA -0.598 51.547 52.037 0.179 0.000 0.835 86 A CB 1.034 20.158 19.000 0.207 0.000 1.180 86 A HN 0.489 nan 8.150 nan 0.000 0.500 87 V N 3.560 123.660 119.914 0.310 0.000 2.294 87 V HA 0.474 4.594 4.120 -0.000 0.000 0.272 87 V C 1.170 177.373 176.094 0.181 0.000 1.027 87 V CA -0.150 62.356 62.300 0.343 0.000 0.823 87 V CB 0.733 32.798 31.823 0.402 0.000 1.030 87 V HN 1.082 nan 8.190 nan 0.000 0.457 88 G N 3.221 112.070 108.800 0.081 0.000 2.636 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 -0.149 174.750 174.900 -0.002 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 0.690 121.070 120.400 -0.032 0.000 2.443 89 D HA 0.014 4.654 4.640 -0.000 0.000 0.239 89 D C 0.442 176.654 176.300 -0.147 0.000 1.136 89 D CA 0.493 54.461 54.000 -0.054 0.000 0.879 89 D CB 0.511 41.283 40.800 -0.047 0.000 1.195 89 D HN 0.422 nan 8.370 nan 0.000 0.443 90 N N 1.474 120.093 118.700 -0.136 0.000 2.818 90 N HA -0.187 4.553 4.740 -0.000 0.000 0.250 90 N C -0.572 174.842 175.510 -0.160 0.000 1.108 90 N CA 0.774 53.677 53.050 -0.245 0.000 0.745 90 N CB -0.596 37.482 38.487 -0.681 0.000 1.104 90 N HN 0.540 nan 8.380 nan 0.000 0.557 91 R N -0.456 120.036 120.500 -0.014 0.000 2.740 91 R HA 0.739 5.079 4.340 -0.000 0.000 0.273 91 R C -0.431 175.982 176.300 0.188 0.000 0.998 91 R CA -0.875 55.294 56.100 0.116 0.000 0.900 91 R CB 2.494 32.854 30.300 0.101 0.000 1.223 91 R HN -0.003 nan 8.270 nan 0.000 0.466 92 V N -0.465 119.607 119.914 0.264 0.000 2.841 92 V HA 0.711 4.831 4.120 -0.000 0.000 0.310 92 V C -1.353 174.846 176.094 0.176 0.000 1.090 92 V CA -1.049 61.363 62.300 0.186 0.000 0.930 92 V CB 1.956 33.840 31.823 0.101 0.000 1.014 92 V HN 0.603 nan 8.190 nan 0.000 0.425 93 L N 2.595 123.826 121.223 0.014 0.000 2.381 93 L HA 0.700 5.040 4.340 -0.000 0.000 0.274 93 L C -0.711 176.042 176.870 -0.195 0.000 0.988 93 L CA 0.054 54.753 54.840 -0.234 0.000 0.824 93 L CB 1.673 43.496 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 0.122 4.762 4.640 -0.000 0.000 0.230 94 D C 1.224 177.424 176.300 -0.167 0.000 1.154 94 D CA -0.314 53.610 54.000 -0.127 0.000 0.859 94 D CB 1.025 41.791 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 -0.210 4.270 4.480 -0.000 0.000 0.259 95 M C 1.920 178.117 176.300 -0.172 0.000 1.071 95 M CA 0.935 56.093 55.300 -0.237 0.000 1.082 95 M CB -1.206 31.222 32.600 -0.288 0.000 1.373 95 M HN 0.512 nan 8.290 nan 0.000 0.408 96 A N -0.017 122.733 122.820 -0.116 0.000 2.076 96 A HA -0.105 4.215 4.320 -0.000 0.000 0.220 96 A C 2.185 179.774 177.584 0.008 0.000 1.160 96 A CA 1.882 53.883 52.037 -0.060 0.000 0.653 96 A CB -0.731 18.257 19.000 -0.020 0.000 0.801 96 A HN 0.617 nan 8.150 nan 0.000 0.455 97 S N -0.364 115.335 115.700 -0.002 0.000 2.634 97 S HA 0.158 4.628 4.470 -0.000 0.000 0.221 97 S C 0.652 175.315 174.600 0.105 0.000 0.952 97 S CA 0.410 58.658 58.200 0.081 0.000 0.930 97 S CB -1.009 62.224 63.200 0.054 0.000 0.780 97 S HN 0.640 nan 8.310 nan 0.000 0.498 98 T N -0.313 114.252 114.554 0.018 0.000 2.945 98 T HA 0.740 5.090 4.350 -0.000 0.000 0.286 98 T C -0.747 173.984 174.700 0.052 0.000 1.025 98 T CA -0.815 61.248 62.100 -0.061 0.000 1.039 98 T CB 1.222 69.948 68.868 -0.237 0.000 1.068 98 T HN 0.702 nan 8.240 nan 0.000 0.497 99 Y N -1.459 118.753 120.300 -0.147 0.000 2.620 99 Y HA 0.646 5.196 4.550 -0.000 0.000 0.331 99 Y C -2.231 173.554 175.900 -0.191 0.000 1.173 99 Y CA -2.363 55.644 58.100 -0.155 0.000 1.076 99 Y CB 0.523 39.113 38.460 0.216 0.000 1.336 99 Y HN 0.546 nan 8.280 nan 0.000 0.459 100 F N 1.966 122.055 119.950 0.232 0.000 2.404 100 F HA 0.340 4.867 4.527 -0.000 0.000 0.358 100 F C 0.117 176.032 175.800 0.191 0.000 1.120 100 F CA -0.482 57.583 58.000 0.108 0.000 1.144 100 F CB 0.919 39.971 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 0.391 0.000 2.316 101 D HA 0.454 5.094 4.640 -0.000 0.000 0.245 101 D C -0.628 175.808 176.300 0.226 0.000 1.171 101 D CA 0.120 54.347 54.000 0.378 0.000 0.856 101 D CB 0.498 41.609 40.800 0.519 0.000 1.090 101 D HN 0.334 nan 8.370 nan 0.000 0.476 102 I N 3.700 124.364 120.570 0.157 0.000 2.509 102 I HA 0.480 4.650 4.170 -0.000 0.000 0.293 102 I C 0.057 176.214 176.117 0.066 0.000 1.020 102 I CA -0.917 60.395 61.300 0.021 0.000 1.088 102 I CB 1.849 39.769 38.000 -0.134 0.000 1.267 102 I HN 0.153 nan 8.210 nan 0.000 0.430 103 R N 3.696 124.127 120.500 -0.116 0.000 2.621 103 R HA 0.844 5.184 4.340 -0.000 0.000 0.292 103 R C -0.387 175.648 176.300 -0.441 0.000 0.969 103 R CA -0.797 55.120 56.100 -0.305 0.000 0.887 103 R CB 2.427 32.536 30.300 -0.319 0.000 1.180 103 R HN 0.887 nan 8.270 nan 0.000 0.450 104 G N 0.651 108.891 108.800 -0.933 0.000 2.561 104 G HA2 0.459 4.419 3.960 -0.000 0.000 0.310 104 G HA3 0.459 4.419 3.960 -0.000 0.000 0.310 104 G C -1.750 172.637 174.900 -0.855 0.000 1.292 104 G CA -0.442 44.174 45.100 -0.807 0.000 0.811 104 G HN 0.297 nan 8.290 nan 0.000 0.482 105 V N 0.157 119.884 119.914 -0.312 0.000 2.680 105 V HA 0.794 4.914 4.120 -0.000 0.000 0.309 105 V C -0.723 175.534 176.094 0.271 0.000 1.052 105 V CA -0.687 61.607 62.300 -0.011 0.000 0.908 105 V CB 1.577 33.389 31.823 -0.018 0.000 1.001 105 V HN 0.975 nan 8.190 nan 0.000 0.431 106 L N 2.828 124.243 121.223 0.320 0.000 2.431 106 L HA 0.806 5.146 4.340 -0.000 0.000 0.266 106 L C -1.370 175.552 176.870 0.087 0.000 0.978 106 L CA -0.089 54.867 54.840 0.194 0.000 0.822 106 L CB 2.188 44.317 42.059 0.116 0.000 1.310 106 L HN 0.678 nan 8.230 nan 0.000 0.409 107 D N 2.975 123.393 120.400 0.030 0.000 2.453 107 D HA 0.348 4.988 4.640 -0.000 0.000 0.238 107 D C 0.586 176.815 176.300 -0.118 0.000 1.088 107 D CA -0.384 53.629 54.000 0.022 0.000 0.854 107 D CB 1.505 42.388 40.800 0.138 0.000 1.076 107 D HN 0.624 nan 8.370 nan 0.000 0.533 108 R N 2.158 122.513 120.500 -0.242 0.000 2.328 108 R HA 0.266 4.606 4.340 -0.000 0.000 0.207 108 R C 1.353 177.544 176.300 -0.182 0.000 1.056 108 R CA 0.652 56.572 56.100 -0.300 0.000 1.016 108 R CB -0.193 29.753 30.300 -0.590 0.000 0.872 108 R HN 0.668 nan 8.270 nan 0.000 0.471 109 G N 0.078 108.785 108.800 -0.155 0.000 2.760 109 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.246 109 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.246 109 G C -2.099 172.727 174.900 -0.124 0.000 1.359 109 G CA -0.446 44.588 45.100 -0.110 0.000 0.861 109 G HN 0.031 nan 8.290 nan 0.000 0.541 110 P HA 0.026 nan 4.420 nan 0.000 0.231 110 P C 1.728 178.879 177.300 -0.249 0.000 1.168 110 P CA 2.241 65.257 63.100 -0.140 0.000 0.779 110 P CB -0.069 31.575 31.700 -0.093 0.000 0.844 111 T N -4.276 110.091 114.554 -0.312 0.000 3.148 111 T HA 0.021 4.371 4.350 -0.000 0.000 0.253 111 T C 0.299 174.643 174.700 -0.595 0.000 1.134 111 T CA -0.483 61.214 62.100 -0.671 0.000 1.051 111 T CB -1.124 67.343 68.868 -0.669 0.000 0.959 111 T HN -0.122 nan 8.240 nan 0.000 0.525 112 F N 2.592 122.275 119.950 -0.444 0.000 2.472 112 F HA 0.499 5.026 4.527 -0.000 0.000 0.364 112 F C 0.242 175.806 175.800 -0.392 0.000 1.090 112 F CA -1.084 56.698 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 -0.006 nan 8.300 nan 0.000 0.536 113 K N 9.060 128.812 120.400 -1.080 0.000 2.803 113 K HA 0.312 4.632 4.320 -0.000 0.000 0.229 113 K C -2.625 173.210 176.600 -1.274 0.000 1.084 113 K CA -1.749 53.846 56.287 -1.153 0.000 1.063 113 K CB 1.322 33.324 32.500 -0.830 0.000 1.254 113 K HN 0.266 nan 8.250 nan 0.000 0.551 114 P HA -0.012 nan 4.420 nan 0.000 0.286 114 P C -1.300 175.758 177.300 -0.404 0.000 1.577 114 P CA 0.385 62.947 63.100 -0.896 0.000 0.805 114 P CB -0.802 30.740 31.700 -0.263 0.000 1.706 115 Y N -5.472 114.499 120.300 -0.548 0.000 2.810 115 Y HA 0.562 5.112 4.550 -0.000 0.000 0.355 115 Y C -1.067 174.704 175.900 -0.214 0.000 1.211 115 Y CA -1.374 56.586 58.100 -0.234 0.000 1.112 115 Y CB -0.144 38.233 38.460 -0.138 0.000 1.383 115 Y HN -0.373 nan 8.280 nan 0.000 0.458 116 S N 0.898 116.676 115.700 0.129 0.000 2.608 116 S HA 0.789 5.259 4.470 -0.000 0.000 0.291 116 S C 0.328 175.041 174.600 0.188 0.000 1.146 116 S CA 0.115 58.337 58.200 0.037 0.000 1.043 116 S CB 1.036 64.236 63.200 0.001 0.000 1.037 116 S HN 1.829 nan 8.310 nan 0.000 0.520 117 G N 1.944 110.818 108.800 0.123 0.000 2.632 117 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.224 117 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.224 117 G C -0.451 174.555 174.900 0.177 0.000 1.341 117 G CA -0.293 44.909 45.100 0.170 0.000 0.880 117 G HN 0.919 nan 8.290 nan 0.000 0.566 118 T N -0.834 113.749 114.554 0.050 0.000 2.940 118 T HA 0.770 5.120 4.350 -0.000 0.000 0.288 118 T C 1.089 175.654 174.700 -0.224 0.000 1.045 118 T CA 0.451 62.497 62.100 -0.089 0.000 1.018 118 T CB 1.939 70.557 68.868 -0.416 0.000 1.151 118 T HN 1.904 nan 8.240 nan 0.000 0.529 119 A N -0.212 122.353 122.820 -0.425 0.000 2.343 119 A HA 0.411 4.731 4.320 -0.000 0.000 0.223 119 A C -0.506 176.566 177.584 -0.854 0.000 1.214 119 A CA 0.126 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 0.726 nan 8.150 nan 0.000 0.507 120 Y N 0.330 120.547 120.300 -0.139 0.000 2.331 120 Y HA 0.396 4.946 4.550 -0.000 0.000 0.334 120 Y C 0.063 175.873 175.900 -0.150 0.000 0.960 120 Y CA -1.805 56.239 58.100 -0.093 0.000 1.130 120 Y CB 0.721 39.168 38.460 -0.021 0.000 1.164 120 Y HN 0.242 nan 8.280 nan 0.000 0.458 121 N N 0.958 119.706 118.700 0.079 0.000 2.714 121 N HA -0.228 4.512 4.740 -0.000 0.000 0.253 121 N C 0.906 176.452 175.510 0.060 0.000 1.024 121 N CA 0.799 53.894 53.050 0.075 0.000 0.726 121 N CB -0.710 37.846 38.487 0.114 0.000 0.908 121 N HN 0.915 nan 8.380 nan 0.000 0.542 122 A N -0.246 122.586 122.820 0.021 0.000 2.019 122 A HA -0.042 4.278 4.320 -0.000 0.000 0.219 122 A C 2.178 179.914 177.584 0.254 0.000 1.164 122 A CA 1.043 53.153 52.037 0.122 0.000 0.644 122 A CB -0.091 18.939 19.000 0.049 0.000 0.805 122 A HN 0.439 nan 8.150 nan 0.000 0.449 123 L N -0.791 120.531 121.223 0.165 0.000 2.492 123 L HA 0.145 4.485 4.340 -0.000 0.000 0.223 123 L C 1.412 178.371 176.870 0.147 0.000 1.132 123 L CA 0.030 54.953 54.840 0.138 0.000 0.850 123 L CB -0.463 41.651 42.059 0.093 0.000 0.966 123 L HN 0.352 nan 8.230 nan 0.000 0.454 124 A N 1.149 124.089 122.820 0.199 0.000 2.440 124 A HA 0.372 4.692 4.320 -0.000 0.000 0.251 124 A C -2.127 175.541 177.584 0.140 0.000 1.089 124 A CA -1.148 50.994 52.037 0.176 0.000 0.779 124 A CB -0.461 18.657 19.000 0.196 0.000 1.022 124 A HN -0.063 nan 8.150 nan 0.000 0.492 125 P HA 0.045 nan 4.420 nan 0.000 0.265 125 P C 0.266 177.540 177.300 -0.043 0.000 1.193 125 P CA 0.106 63.203 63.100 -0.004 0.000 0.765 125 P CB 0.403 32.109 31.700 0.009 0.000 0.823 126 K N 1.799 122.088 120.400 -0.185 0.000 2.442 126 K HA -0.091 4.229 4.320 -0.000 0.000 0.200 126 K C 1.704 178.248 176.600 -0.094 0.000 1.045 126 K CA 1.559 57.689 56.287 -0.261 0.000 0.937 126 K CB -0.415 31.829 32.500 -0.426 0.000 0.757 126 K HN 0.628 nan 8.250 nan 0.000 0.474 127 G N 0.384 109.154 108.800 -0.050 0.000 2.944 127 G HA2 0.223 4.183 3.960 -0.000 0.000 0.223 127 G HA3 0.223 4.183 3.960 -0.000 0.000 0.223 127 G C 0.196 175.099 174.900 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 0.569 4.889 4.320 -0.000 0.000 0.242 128 A C -2.211 175.421 177.584 0.080 0.000 1.069 128 A CA -0.431 51.646 52.037 0.066 0.000 0.763 128 A CB 0.329 19.383 19.000 0.090 0.000 1.001 128 A HN 0.209 nan 8.150 nan 0.000 0.498 129 P HA 0.311 nan 4.420 nan 0.000 0.287 129 P C -0.799 176.593 177.300 0.153 0.000 1.290 129 P CA -1.029 62.127 63.100 0.094 0.000 0.889 129 P CB 0.974 32.696 31.700 0.037 0.000 1.190 130 N N 1.012 119.789 118.700 0.128 0.000 2.503 130 N HA 0.211 4.951 4.740 -0.000 0.000 0.267 130 N C -2.208 173.407 175.510 0.174 0.000 1.214 130 N CA -1.188 51.940 53.050 0.129 0.000 0.959 130 N CB -0.306 38.237 38.487 0.093 0.000 1.142 130 N HN 0.241 nan 8.380 nan 0.000 0.455 131 P HA 0.038 nan 4.420 nan 0.000 0.261 131 P C -0.179 177.226 177.300 0.176 0.000 1.203 131 P CA -0.115 63.080 63.100 0.158 0.000 0.767 131 P CB -0.034 31.704 31.700 0.064 0.000 0.785 132 C N 1.959 121.420 119.300 0.268 0.000 3.119 132 C HA 0.767 5.227 4.460 -0.000 0.000 0.359 132 C C -0.544 174.652 174.990 0.345 0.000 1.486 132 C CA -0.862 58.316 59.018 0.266 0.000 1.556 132 C CB 1.648 29.538 27.740 0.250 0.000 2.063 132 C HN 0.495 nan 8.230 nan 0.000 0.454 133 E N -0.701 119.705 120.200 0.344 0.000 2.331 133 E HA 0.616 4.966 4.350 -0.000 0.000 0.275 133 E C -1.705 175.150 176.600 0.426 0.000 0.895 133 E CA -0.165 56.418 56.400 0.305 0.000 0.753 133 E CB 2.314 32.100 29.700 0.144 0.000 1.216 133 E HN 0.865 nan 8.360 nan 0.000 0.434 134 W N 0.925 122.291 121.300 0.110 0.000 2.988 134 W HA 0.585 5.245 4.660 -0.000 0.000 0.355 134 W C -1.339 175.249 176.519 0.116 0.000 1.233 134 W CA -0.640 56.753 57.345 0.079 0.000 1.176 134 W CB 0.489 29.966 29.460 0.029 0.000 1.477 134 W HN 0.180 nan 8.180 nan 0.000 0.582 166 H N 0.468 119.163 119.070 -0.624 0.000 2.496 166 H HA 0.853 5.409 4.556 -0.000 0.000 0.342 166 H C -0.179 174.775 175.328 -0.623 0.000 1.170 166 H CA -0.754 54.827 56.048 -0.780 0.000 1.274 166 H CB 1.187 30.122 29.762 -1.379 0.000 1.538 166 H HN 0.360 nan 8.280 nan 0.000 0.542 167 V N 2.065 121.832 119.914 -0.245 0.000 2.789 167 V HA 0.320 4.440 4.120 -0.000 0.000 0.311 167 V C -1.411 174.759 176.094 0.127 0.000 1.073 167 V CA -0.754 61.514 62.300 -0.054 0.000 0.921 167 V CB 1.979 33.727 31.823 -0.125 0.000 1.009 167 V HN 0.653 nan 8.190 nan 0.000 0.426 168 F N 4.061 124.080 119.950 0.116 0.000 2.716 168 F HA 0.823 5.350 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 0.073 58.165 58.000 0.155 0.000 1.045 168 F CB 1.376 40.567 39.000 0.319 0.000 1.311 168 F HN 0.625 nan 8.300 nan 0.000 0.477 169 G N 3.741 112.289 108.800 -0.421 0.000 2.815 169 G HA2 0.531 4.491 3.960 -0.000 0.000 0.305 169 G HA3 0.531 4.491 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 -0.292 0.000 0.795 169 G HN 0.555 nan 8.290 nan 0.000 0.528 170 Q N -1.299 118.391 119.800 -0.183 0.000 2.340 170 Q HA 0.605 4.945 4.340 -0.000 0.000 0.276 170 Q C -1.683 174.279 176.000 -0.064 0.000 1.048 170 Q CA -0.918 54.807 55.803 -0.130 0.000 0.832 170 Q CB 2.254 30.941 28.738 -0.085 0.000 1.373 170 Q HN 1.053 nan 8.270 nan 0.000 0.409 171 A N 4.108 126.902 122.820 -0.044 0.000 2.586 171 A HA 0.511 4.831 4.320 -0.000 0.000 0.320 171 A C -2.359 175.243 177.584 0.030 0.000 1.281 171 A CA -1.140 50.904 52.037 0.011 0.000 0.775 171 A CB 0.742 19.747 19.000 0.008 0.000 1.122 171 A HN 0.678 nan 8.150 nan 0.000 0.470 172 P HA 0.035 nan 4.420 nan 0.000 0.245 172 P C -0.044 177.297 177.300 0.068 0.000 1.199 172 P CA 0.416 63.546 63.100 0.049 0.000 0.807 172 P CB 0.049 31.781 31.700 0.053 0.000 1.002 173 Y N 1.690 121.994 120.300 0.007 0.000 2.359 173 Y HA 0.376 4.926 4.550 -0.000 0.000 0.334 173 Y C 0.331 176.246 175.900 0.025 0.000 1.058 173 Y CA -0.554 57.552 58.100 0.010 0.000 1.244 173 Y CB 0.667 39.128 38.460 0.001 0.000 1.187 173 Y HN -0.213 nan 8.280 nan 0.000 0.510 174 S N 5.425 120.774 115.700 -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 -0.179 57.828 58.200 -0.322 0.000 1.104 174 S CB -0.292 62.778 63.200 -0.217 0.000 0.969 174 S HN 1.052 nan 8.310 nan 0.000 0.471 175 G N 3.477 112.333 108.800 0.093 0.000 2.613 175 G HA2 0.522 4.482 3.960 -0.000 0.000 0.303 175 G HA3 0.522 4.482 3.960 -0.000 0.000 0.303 175 G C 0.672 175.661 174.900 0.149 0.000 1.312 175 G CA -0.772 44.495 45.100 0.278 0.000 1.036 175 G HN 0.701 nan 8.290 nan 0.000 0.513 176 I N 0.294 120.915 120.570 0.085 0.000 2.339 176 I HA 0.163 4.333 4.170 -0.000 0.000 0.245 176 I C 1.572 177.505 176.117 -0.307 0.000 1.096 176 I CA 1.528 62.810 61.300 -0.030 0.000 1.408 176 I CB -0.151 37.837 38.000 -0.021 0.000 1.092 176 I HN 0.683 nan 8.210 nan 0.000 0.423 177 N N 0.172 118.667 118.700 -0.342 0.000 3.043 177 N HA 0.591 5.331 4.740 -0.000 0.000 0.243 177 N C -1.128 174.295 175.510 -0.145 0.000 1.347 177 N CA -0.676 51.969 53.050 -0.676 0.000 0.896 177 N CB 0.765 38.980 38.487 -0.454 0.000 1.501 177 N HN 0.035 nan 8.380 nan 0.000 0.504 178 I N 1.654 122.241 120.570 0.029 0.000 2.354 178 I HA 0.666 4.836 4.170 -0.000 0.000 0.286 178 I C 1.129 177.326 176.117 0.132 0.000 1.007 178 I CA -0.334 61.082 61.300 0.194 0.000 1.167 178 I CB 1.148 39.349 38.000 0.335 0.000 1.320 178 I HN 0.988 nan 8.210 nan 0.000 0.458 179 T N 2.855 117.476 114.554 0.112 0.000 2.819 179 T HA 0.582 4.932 4.350 -0.000 0.000 0.271 179 T C 1.156 175.833 174.700 -0.038 0.000 0.986 179 T CA -0.043 62.068 62.100 0.018 0.000 0.989 179 T CB 0.477 69.349 68.868 0.007 0.000 1.396 179 T HN 0.483 nan 8.240 nan 0.000 0.597 180 K N 0.104 120.430 120.400 -0.124 0.000 2.459 180 K HA 0.164 4.484 4.320 -0.000 0.000 0.193 180 K C 1.506 178.108 176.600 0.004 0.000 1.030 180 K CA 1.284 57.439 56.287 -0.219 0.000 1.026 180 K CB -0.399 31.975 32.500 -0.211 0.000 0.809 180 K HN 0.744 nan 8.250 nan 0.000 0.504 181 E N -0.792 119.447 120.200 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 0.170 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 1.773 110.737 108.800 0.273 0.000 2.384 182 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.200 182 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.200 182 G C -0.911 174.134 174.900 0.241 0.000 1.205 182 G CA -0.477 44.780 45.100 0.262 0.000 1.116 182 G HN 0.175 nan 8.290 nan 0.000 0.547 183 I N 1.376 122.083 120.570 0.228 0.000 2.359 183 I HA 0.549 4.719 4.170 -0.000 0.000 0.294 183 I C 0.632 176.803 176.117 0.090 0.000 0.987 183 I CA -0.613 60.789 61.300 0.169 0.000 1.225 183 I CB 1.364 39.482 38.000 0.196 0.000 1.366 183 I HN 0.747 nan 8.210 nan 0.000 0.466 184 Q N 7.280 127.125 119.800 0.074 0.000 2.314 184 Q HA 0.256 4.596 4.340 -0.000 0.000 0.258 184 Q C 0.164 176.206 176.000 0.070 0.000 0.954 184 Q CA -0.098 55.730 55.803 0.042 0.000 0.890 184 Q CB 0.942 29.686 28.738 0.011 0.000 1.210 184 Q HN 0.824 nan 8.270 nan 0.000 0.410 185 I N 0.186 120.783 120.570 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 0.885 38.884 38.000 -0.002 0.000 1.192 185 I HN 0.567 nan 8.210 nan 0.000 0.440 194 Y N -0.112 120.185 120.300 -0.006 0.000 2.326 194 Y HA 0.829 5.379 4.550 -0.000 0.000 0.324 194 Y C 1.023 176.886 175.900 -0.063 0.000 1.291 194 Y CA -1.313 56.781 58.100 -0.010 0.000 1.348 194 Y CB 0.491 38.965 38.460 0.023 0.000 1.294 194 Y HN 1.422 nan 8.280 nan 0.000 0.525 195 A N 1.495 124.253 122.820 -0.105 0.000 2.371 195 A HA 0.411 4.731 4.320 -0.000 0.000 0.257 195 A C 0.043 177.470 177.584 -0.261 0.000 1.089 195 A CA 0.053 51.934 52.037 -0.259 0.000 0.794 195 A CB -0.033 18.720 19.000 -0.411 0.000 1.029 195 A HN 0.891 nan 8.150 nan 0.000 0.488 196 D N 2.439 122.600 120.400 -0.398 0.000 2.374 196 D HA 0.318 4.958 4.640 -0.000 0.000 0.240 196 D C 1.512 177.564 176.300 -0.414 0.000 1.229 196 D CA 0.556 54.361 54.000 -0.326 0.000 0.895 196 D CB 0.854 41.501 40.800 -0.256 0.000 1.046 196 D HN 0.622 nan 8.370 nan 0.000 0.498 197 K N 2.378 122.648 120.400 -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 2.368 58.561 56.287 -0.157 0.000 0.929 197 K CB -1.669 30.895 32.500 0.108 0.000 0.720 197 K HN 0.715 nan 8.250 nan 0.000 0.453 198 T N -2.071 112.463 114.554 -0.032 0.000 2.849 198 T HA -0.062 4.288 4.350 -0.000 0.000 0.270 198 T C 1.613 176.393 174.700 0.132 0.000 1.066 198 T CA 1.606 63.751 62.100 0.074 0.000 1.130 198 T CB -0.423 68.531 68.868 0.145 0.000 0.864 198 T HN 1.039 nan 8.240 nan 0.000 0.481 199 F N -0.615 119.263 119.950 -0.120 0.000 2.938 199 F HA 0.515 5.042 4.527 0.000 0.000 0.370 199 F C 0.077 175.762 175.800 -0.191 0.000 0.981 199 F CA -1.167 56.758 58.000 -0.125 0.000 1.108 199 F CB 0.277 39.226 39.000 -0.085 0.000 1.086 199 F HN 0.009 nan 8.300 nan 0.000 0.569 200 Q N 3.894 123.146 119.800 -0.914 0.000 2.256 200 Q HA 0.476 4.816 4.340 -0.000 0.000 0.257 200 Q C -2.636 172.815 176.000 -0.915 0.000 0.936 200 Q CA -2.240 53.045 55.803 -0.864 0.000 0.903 200 Q CB 1.826 29.971 28.738 -0.988 0.000 1.263 200 Q HN -0.002 nan 8.270 nan 0.000 0.440 201 P HA 0.076 nan 4.420 nan 0.000 0.278 201 P C -0.979 176.172 177.300 -0.249 0.000 1.258 201 P CA -0.457 62.343 63.100 -0.499 0.000 0.811 201 P CB 0.753 32.201 31.700 -0.420 0.000 1.063 202 E N 1.674 121.804 120.200 -0.117 0.000 2.167 202 E HA 0.150 4.500 4.350 -0.000 0.000 0.284 202 E C -1.604 175.015 176.600 0.031 0.000 1.016 202 E CA -1.766 54.637 56.400 0.005 0.000 0.817 202 E CB 0.433 30.181 29.700 0.079 0.000 1.080 202 E HN 0.317 nan 8.360 nan 0.000 0.397 203 P HA -0.258 nan 4.420 nan 0.000 0.218 203 P C 0.864 178.199 177.300 0.059 0.000 1.146 203 P CA 1.436 64.564 63.100 0.046 0.000 0.813 203 P CB 0.174 31.899 31.700 0.043 0.000 0.778 204 Q N -0.773 119.064 119.800 0.062 0.000 2.224 204 Q HA -0.018 4.322 4.340 -0.000 0.000 0.203 204 Q C 0.956 176.998 176.000 0.070 0.000 0.970 204 Q CA 0.634 56.476 55.803 0.065 0.000 0.865 204 Q CB -0.504 28.272 28.738 0.064 0.000 0.922 204 Q HN 0.275 nan 8.270 nan 0.000 0.445 205 I N 1.384 122.007 120.570 0.087 0.000 2.395 205 I HA 0.453 4.623 4.170 -0.000 0.000 0.289 205 I C 0.432 176.610 176.117 0.102 0.000 1.023 205 I CA -0.246 61.118 61.300 0.106 0.000 1.350 205 I CB 0.999 39.096 38.000 0.161 0.000 1.409 205 I HN 0.149 nan 8.210 nan 0.000 0.507 206 G N 3.426 112.260 108.800 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 -0.899 173.983 174.900 -0.030 0.000 1.362 206 G CA -0.309 44.802 45.100 0.019 0.000 0.809 206 G HN 0.674 nan 8.290 nan 0.000 0.522 207 E N -1.102 119.066 120.200 -0.054 0.000 2.343 207 E HA 0.596 4.946 4.350 -0.000 0.000 0.269 207 E C 1.302 177.861 176.600 -0.067 0.000 1.047 207 E CA 0.436 56.784 56.400 -0.086 0.000 0.874 207 E CB 0.876 30.510 29.700 -0.110 0.000 1.033 207 E HN 1.336 nan 8.360 nan 0.000 0.409 208 S N 0.390 116.042 115.700 -0.081 0.000 2.395 208 S HA 0.301 4.771 4.470 -0.000 0.000 0.225 208 S C 1.689 176.236 174.600 -0.088 0.000 1.027 208 S CA 1.452 59.616 58.200 -0.060 0.000 0.965 208 S CB -0.365 62.807 63.200 -0.047 0.000 0.812 208 S HN 1.224 nan 8.310 nan 0.000 0.482 209 Q N 0.525 120.199 119.800 -0.209 0.000 2.471 209 Q HA 0.439 4.779 4.340 -0.000 0.000 0.223 209 Q C 0.729 176.566 176.000 -0.272 0.000 1.045 209 Q CA 0.246 55.809 55.803 -0.399 0.000 0.956 209 Q CB -0.568 27.628 28.738 -0.904 0.000 1.249 209 Q HN 1.010 nan 8.270 nan 0.000 0.549 210 W N -0.679 120.423 121.300 -0.329 0.000 3.058 210 W HA 0.229 4.889 4.660 -0.000 0.000 0.306 210 W C 0.135 176.611 176.519 -0.071 0.000 1.188 210 W CA 0.224 57.489 57.345 -0.133 0.000 1.651 210 W CB 0.063 29.509 29.460 -0.024 0.000 1.051 210 W HN 0.787 nan 8.180 nan 0.000 0.592 211 Y N 0.852 120.780 120.300 -0.620 0.000 2.565 211 Y HA 0.696 5.246 4.550 -0.000 0.000 0.325 211 Y C 0.329 176.075 175.900 -0.258 0.000 1.221 211 Y CA -1.829 55.927 58.100 -0.572 0.000 1.316 211 Y CB -0.668 37.169 38.460 -1.040 0.000 1.404 211 Y HN -0.066 nan 8.280 nan 0.000 0.527 212 E N -0.783 119.520 120.200 0.171 0.000 2.217 212 E HA 0.471 4.821 4.350 -0.000 0.000 0.279 212 E C 0.448 177.147 176.600 0.165 0.000 1.068 212 E CA 0.262 56.727 56.400 0.107 0.000 0.882 212 E CB -0.203 29.530 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 1.849 63.989 62.100 0.066 0.000 1.036 213 T CB -0.139 68.732 68.868 0.006 0.000 0.994 213 T HN 1.981 nan 8.240 nan 0.000 0.489 214 E N -1.018 119.182 120.200 0.001 0.000 5.278 214 E HA 0.313 4.663 4.350 -0.000 0.000 0.173 214 E C 0.034 176.620 176.600 -0.024 0.000 1.365 214 E CA 0.480 56.872 56.400 -0.013 0.000 1.205 214 E CB -2.905 26.788 29.700 -0.011 0.000 1.015 214 E HN 2.026 nan 8.360 nan 0.000 0.350 215 I N 2.050 122.600 120.570 -0.033 0.000 2.337 215 I HA 0.567 4.737 4.170 -0.000 0.000 0.291 215 I C 1.110 177.183 176.117 -0.073 0.000 1.046 215 I CA 0.104 61.379 61.300 -0.041 0.000 1.324 215 I CB 0.787 38.765 38.000 -0.037 0.000 1.409 215 I HN 0.670 nan 8.210 nan 0.000 0.494 216 N N 2.235 120.860 118.700 -0.124 0.000 2.432 216 N HA 0.021 4.761 4.740 -0.000 0.000 0.174 216 N C -0.179 175.010 175.510 -0.536 0.000 1.037 216 N CA 0.802 53.655 53.050 -0.328 0.000 0.892 216 N CB 0.342 38.592 38.487 -0.394 0.000 1.049 216 N HN 0.914 nan 8.380 nan 0.000 0.442 217 H N 0.261 119.359 119.070 0.046 0.000 2.697 217 H HA 0.556 5.112 4.556 -0.000 0.000 0.270 217 H C -0.522 174.864 175.328 0.098 0.000 1.188 217 H CA -0.418 55.678 56.048 0.080 0.000 1.322 217 H CB 0.987 30.802 29.762 0.089 0.000 1.405 217 H HN 0.104 nan 8.280 nan 0.000 0.502 218 A N 2.241 125.150 122.820 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 -0.399 51.724 52.037 0.145 0.000 0.821 218 A CB 0.759 19.798 19.000 0.065 0.000 1.170 218 A HN 0.684 nan 8.150 nan 0.000 0.490 219 A N 0.681 123.637 122.820 0.228 0.000 2.435 219 A HA 0.933 5.253 4.320 -0.000 0.000 0.304 219 A C 0.037 177.722 177.584 0.169 0.000 1.064 219 A CA -0.004 52.163 52.037 0.217 0.000 0.727 219 A CB 1.666 20.812 19.000 0.243 0.000 1.284 219 A HN 2.087 nan 8.150 nan 0.000 0.415 220 G N -0.159 108.732 108.800 0.153 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 -0.746 44.415 45.100 0.102 0.000 0.810 220 G HN 0.772 nan 8.290 nan 0.000 0.508 221 R N -1.215 119.333 120.500 0.080 0.000 2.621 221 R HA 0.732 5.072 4.340 -0.000 0.000 0.292 221 R C -1.428 174.907 176.300 0.060 0.000 0.969 221 R CA -0.538 55.610 56.100 0.081 0.000 0.887 221 R CB 2.111 32.436 30.300 0.042 0.000 1.180 221 R HN 0.698 nan 8.270 nan 0.000 0.450 222 V N 5.083 125.037 119.914 0.067 0.000 3.147 222 V HA 0.531 4.651 4.120 -0.000 0.000 0.306 222 V C -1.580 174.554 176.094 0.067 0.000 1.209 222 V CA -0.914 61.422 62.300 0.060 0.000 1.023 222 V CB 2.297 34.149 31.823 0.048 0.000 1.059 222 V HN 0.690 nan 8.190 nan 0.000 0.435 223 L N 4.524 125.793 121.223 0.077 0.000 2.289 223 L HA 0.544 4.884 4.340 -0.000 0.000 0.285 223 L C 0.298 177.220 176.870 0.088 0.000 1.049 223 L CA -0.523 54.362 54.840 0.074 0.000 0.804 223 L CB 1.266 43.368 42.059 0.073 0.000 1.195 223 L HN 0.591 nan 8.230 nan 0.000 0.428 224 K N 2.147 122.591 120.400 0.073 0.000 2.219 224 K HA 0.050 4.370 4.320 -0.000 0.000 0.258 224 K C 0.974 177.629 176.600 0.092 0.000 1.008 224 K CA -0.411 55.921 56.287 0.075 0.000 0.928 224 K CB 0.680 33.214 32.500 0.056 0.000 0.983 224 K HN 0.520 nan 8.250 nan 0.000 0.484 225 K N 0.148 120.609 120.400 0.102 0.000 2.585 225 K HA -0.099 4.221 4.320 -0.000 0.000 0.194 225 K C 0.681 177.337 176.600 0.092 0.000 1.037 225 K CA 1.516 57.877 56.287 0.124 0.000 0.964 225 K CB -0.244 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 -2.118 112.478 114.554 0.069 0.000 3.081 226 T HA 0.036 4.386 4.350 -0.000 0.000 0.250 226 T C 0.573 175.300 174.700 0.046 0.000 1.100 226 T CA -0.103 62.029 62.100 0.052 0.000 1.038 226 T CB 0.146 69.039 68.868 0.041 0.000 0.962 226 T HN 0.017 nan 8.240 nan 0.000 0.516 227 T N 4.962 119.547 114.554 0.051 0.000 2.753 227 T HA 0.425 4.775 4.350 -0.000 0.000 0.297 227 T C -2.671 172.056 174.700 0.046 0.000 0.981 227 T CA -1.414 60.711 62.100 0.041 0.000 0.956 227 T CB 1.256 70.146 68.868 0.037 0.000 0.936 227 T HN 0.122 nan 8.240 nan 0.000 0.463 228 P HA 0.024 nan 4.420 nan 0.000 0.264 228 P C -0.279 177.037 177.300 0.028 0.000 1.179 228 P CA 0.100 63.217 63.100 0.028 0.000 0.763 228 P CB 0.370 32.081 31.700 0.018 0.000 0.806 229 M N 2.814 122.426 119.600 0.020 0.000 2.211 229 M HA 0.251 4.731 4.480 -0.000 0.000 0.356 229 M C 0.567 176.870 176.300 0.005 0.000 1.216 229 M CA 0.473 55.781 55.300 0.013 0.000 1.134 229 M CB 0.428 33.017 32.600 -0.020 0.000 1.564 229 M HN 0.136 nan 8.290 nan 0.000 0.463 230 K N 2.944 123.355 120.400 0.019 0.000 2.527 230 K HA 0.557 4.877 4.320 -0.000 0.000 0.260 230 K C -2.821 173.805 176.600 0.044 0.000 0.937 230 K CA -1.877 54.426 56.287 0.026 0.000 0.826 230 K CB 1.665 34.184 32.500 0.032 0.000 1.359 230 K HN 0.220 nan 8.250 nan 0.000 0.434 231 P HA 0.065 nan 4.420 nan 0.000 0.269 231 P C 1.004 178.372 177.300 0.114 0.000 1.209 231 P CA -0.284 62.865 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 3.120 122.496 119.300 0.127 0.000 2.398 232 C HA -0.189 4.271 4.460 -0.000 0.000 0.276 232 C C 1.449 176.539 174.990 0.167 0.000 1.222 232 C CA 0.524 59.623 59.018 0.135 0.000 1.746 232 C CB -1.657 26.165 27.740 0.136 0.000 2.039 232 C HN 0.546 nan 8.230 nan 0.000 0.470 233 Y N 1.078 121.419 120.300 0.068 0.000 2.745 233 Y HA 0.379 4.929 4.550 -0.000 0.000 0.335 233 Y C 1.190 177.147 175.900 0.095 0.000 1.212 233 Y CA 1.153 59.299 58.100 0.076 0.000 1.535 233 Y CB -0.076 38.412 38.460 0.047 0.000 1.220 233 Y HN 0.633 nan 8.280 nan 0.000 0.531 234 G N 3.078 111.754 108.800 -0.207 0.000 2.176 234 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.253 234 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.253 234 G C 0.165 175.107 174.900 0.071 0.000 0.979 234 G CA 0.148 45.209 45.100 -0.065 0.000 0.641 234 G HN 0.704 nan 8.290 nan 0.000 0.530 235 S N 0.028 115.768 115.700 0.067 0.000 2.528 235 S HA 0.587 5.057 4.470 -0.000 0.000 0.277 235 S C -0.500 174.086 174.600 -0.023 0.000 1.297 235 S CA 0.036 58.255 58.200 0.031 0.000 1.052 235 S CB 1.126 64.352 63.200 0.043 0.000 0.917 235 S HN 0.798 nan 8.310 nan 0.000 0.492 236 Y N 1.236 121.363 120.300 -0.289 0.000 2.544 236 Y HA 0.599 5.149 4.550 -0.000 0.000 0.342 236 Y C -1.245 174.504 175.900 -0.252 0.000 1.062 236 Y CA -0.800 57.025 58.100 -0.457 0.000 1.023 236 Y CB 1.275 39.050 38.460 -1.141 0.000 1.308 236 Y HN 0.676 nan 8.280 nan 0.000 0.457 237 A N 5.862 128.007 122.820 -1.127 0.000 2.466 237 A HA 0.459 4.779 4.320 -0.000 0.000 0.284 237 A C -1.448 175.592 177.584 -0.905 0.000 1.049 237 A CA -0.970 50.589 52.037 -0.796 0.000 0.760 237 A CB 0.635 19.426 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 0.289 4.609 4.320 -0.000 0.000 0.279 238 K C -2.392 174.096 176.600 -0.185 0.000 0.993 238 K CA -0.546 55.545 56.287 -0.327 0.000 1.030 238 K CB 0.128 32.593 32.500 -0.059 0.000 0.891 238 K HN 0.309 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 -0.293 62.771 63.100 -0.060 0.000 0.776 239 P CB 1.096 32.780 31.700 -0.028 0.000 0.881 240 T N -1.913 112.625 114.554 -0.028 0.000 3.044 240 T HA 0.202 4.552 4.350 -0.000 0.000 0.260 240 T C 0.213 174.906 174.700 -0.011 0.000 1.019 240 T CA -0.277 61.814 62.100 -0.015 0.000 0.921 240 T CB -0.741 68.121 68.868 -0.010 0.000 1.053 240 T HN 0.596 nan 8.240 nan 0.000 0.533 241 N N -1.514 117.174 118.700 -0.021 0.000 2.484 241 N HA 0.492 5.232 4.740 -0.000 0.000 0.269 241 N C 0.584 176.052 175.510 -0.070 0.000 1.237 241 N CA -0.305 52.724 53.050 -0.035 0.000 0.838 241 N CB 0.690 39.164 38.487 -0.022 0.000 1.593 241 N HN -0.078 nan 8.380 nan 0.000 0.485 242 E N 0.166 120.315 120.200 -0.085 0.000 2.393 242 E HA -0.214 4.136 4.350 -0.000 0.000 0.201 242 E C 0.418 176.911 176.600 -0.178 0.000 1.025 242 E CA 1.589 57.925 56.400 -0.106 0.000 0.856 242 E CB -0.863 28.779 29.700 -0.096 0.000 0.771 242 E HN 0.610 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 1.343 176.708 175.510 -0.242 0.000 1.117 243 N CA 0.777 53.551 53.050 -0.459 0.000 0.845 243 N CB 1.245 38.993 38.487 -1.231 0.000 0.980 243 N HN 0.578 nan 8.380 nan 0.000 0.486 244 G N 0.097 108.833 108.800 -0.108 0.000 2.217 244 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.246 244 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.246 244 G C 0.536 175.439 174.900 0.004 0.000 0.990 244 G CA -0.101 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 -0.190 108.630 108.800 0.032 0.000 2.353 245 G HA2 0.433 4.393 3.960 -0.000 0.000 0.239 245 G HA3 0.433 4.393 3.960 -0.000 0.000 0.239 245 G C 0.567 175.469 174.900 0.004 0.000 1.295 245 G CA 0.561 45.695 45.100 0.057 0.000 0.884 245 G HN 0.578 nan 8.290 nan 0.000 0.537 246 Q N 1.192 120.985 119.800 -0.012 0.000 2.179 246 Q HA 0.227 4.567 4.340 -0.000 0.000 0.213 246 Q C 1.286 177.267 176.000 -0.031 0.000 0.833 246 Q CA -0.159 55.615 55.803 -0.048 0.000 0.990 246 Q CB 1.169 29.849 28.738 -0.098 0.000 1.132 246 Q HN 0.606 nan 8.270 nan 0.000 0.493 247 G N 1.154 109.953 108.800 -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 -0.185 174.717 174.900 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 1.167 121.738 120.570 0.002 0.000 2.710 248 I HA 0.002 4.172 4.170 -0.000 0.000 0.286 248 I C 0.583 176.705 176.117 0.009 0.000 1.181 248 I CA 0.391 61.693 61.300 0.002 0.000 1.430 248 I CB 0.665 38.667 38.000 0.003 0.000 1.367 248 I HN 0.214 nan 8.210 nan 0.000 0.577 249 L N 6.831 128.059 121.223 0.008 0.000 2.295 249 L HA 0.475 4.815 4.340 -0.000 0.000 0.285 249 L C -0.127 176.750 176.870 0.011 0.000 1.035 249 L CA -0.638 54.208 54.840 0.011 0.000 0.806 249 L CB 1.422 43.487 42.059 0.010 0.000 1.214 249 L HN 0.320 nan 8.230 nan 0.000 0.426 259 S N 0.163 115.878 115.700 0.025 0.000 2.549 259 S HA 0.226 4.696 4.470 -0.000 0.000 0.283 259 S C 0.691 175.308 174.600 0.030 0.000 1.320 259 S CA 0.251 58.469 58.200 0.029 0.000 1.058 259 S CB 0.847 64.070 63.200 0.037 0.000 0.882 259 S HN 0.486 nan 8.310 nan 0.000 0.498 260 Q N 2.926 122.744 119.800 0.030 0.000 2.172 260 Q HA 0.190 4.530 4.340 -0.000 0.000 0.217 260 Q C -0.309 175.711 176.000 0.035 0.000 0.832 260 Q CA -0.216 55.604 55.803 0.029 0.000 1.010 260 Q CB 0.731 29.483 28.738 0.023 0.000 1.133 260 Q HN 0.589 nan 8.270 nan 0.000 0.489 261 V N 1.749 121.691 119.914 0.047 0.000 2.763 261 V HA 0.209 4.329 4.120 -0.000 0.000 0.306 261 V C 0.472 176.595 176.094 0.048 0.000 1.059 261 V CA 0.656 62.994 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 0.391 nan 8.190 nan 0.000 0.489 262 E N 4.940 125.154 120.200 0.023 0.000 2.281 262 E HA 0.635 4.985 4.350 -0.000 0.000 0.266 262 E C -0.603 175.931 176.600 -0.110 0.000 0.893 262 E CA -0.834 55.555 56.400 -0.020 0.000 0.798 262 E CB 1.484 31.179 29.700 -0.008 0.000 1.245 262 E HN 0.747 nan 8.360 nan 0.000 0.410 263 M N 0.956 120.428 119.600 -0.213 0.000 2.243 263 M HA 0.440 4.920 4.480 -0.000 0.000 0.341 263 M C 0.057 176.123 176.300 -0.391 0.000 1.130 263 M CA -0.099 54.899 55.300 -0.504 0.000 1.162 263 M CB 0.390 32.483 32.600 -0.845 0.000 1.497 263 M HN 0.498 nan 8.290 nan 0.000 0.456 264 Q N 2.182 121.682 119.800 -0.501 0.000 2.310 264 Q HA 0.537 4.877 4.340 -0.000 0.000 0.270 264 Q C -1.643 174.014 176.000 -0.572 0.000 1.025 264 Q CA -0.393 55.192 55.803 -0.364 0.000 0.772 264 Q CB 1.826 30.501 28.738 -0.106 0.000 1.253 264 Q HN 0.528 nan 8.270 nan 0.000 0.450 265 F N 1.897 121.565 119.950 -0.469 0.000 2.379 265 F HA 0.595 5.122 4.527 -0.000 0.000 0.332 265 F C -0.168 175.213 175.800 -0.698 0.000 1.096 265 F CA -0.470 57.310 58.000 -0.367 0.000 1.105 265 F CB 0.695 39.572 39.000 -0.204 0.000 1.189 265 F HN 0.371 nan 8.300 nan 0.000 0.515 266 F N -0.076 119.940 119.950 0.111 0.000 2.613 266 F HA 0.646 5.173 4.527 -0.000 0.000 0.310 266 F C -0.130 175.696 175.800 0.043 0.000 1.085 266 F CA -0.716 57.310 58.000 0.044 0.000 0.945 266 F CB 2.204 41.199 39.000 -0.008 0.000 1.298 266 F HN 0.305 nan 8.300 nan 0.000 0.455 267 S N -0.558 115.269 115.700 0.213 0.000 2.651 267 S HA 0.582 5.052 4.470 -0.000 0.000 0.279 267 S C 0.097 174.752 174.600 0.092 0.000 1.148 267 S CA -0.491 57.778 58.200 0.115 0.000 0.837 267 S CB 1.859 65.099 63.200 0.066 0.000 1.138 267 S HN 0.763 nan 8.310 nan 0.000 0.478 268 T N 0.365 114.950 114.554 0.051 0.000 4.971 268 T HA 0.467 4.817 4.350 -0.000 0.000 0.217 268 T C 0.920 175.637 174.700 0.029 0.000 0.770 268 T CA 0.884 63.004 62.100 0.033 0.000 2.187 268 T CB -1.184 67.694 68.868 0.016 0.000 1.552 268 T HN 0.882 nan 8.240 nan 0.000 0.277 279 L N -0.145 121.075 121.223 -0.006 0.000 2.999 279 L HA 0.491 4.831 4.340 -0.000 0.000 0.304 279 L C 1.172 178.039 176.870 -0.005 0.000 1.104 279 L CA 1.534 56.369 54.840 -0.008 0.000 0.911 279 L CB -1.397 40.650 42.059 -0.020 0.000 1.341 279 L HN 2.408 nan 8.230 nan 0.000 0.487 280 T N 3.827 118.387 114.554 0.010 0.000 3.548 280 T HA 0.628 4.978 4.350 -0.000 0.000 0.329 280 T C -2.084 172.648 174.700 0.054 0.000 0.960 280 T CA -0.785 61.332 62.100 0.028 0.000 1.041 280 T CB 0.780 69.673 68.868 0.043 0.000 1.065 280 T HN 0.743 nan 8.240 nan 0.000 0.459 281 P HA 0.330 nan 4.420 nan 0.000 0.261 281 P C 0.855 178.240 177.300 0.143 0.000 1.183 281 P CA 0.138 63.324 63.100 0.144 0.000 0.761 281 P CB 0.661 32.514 31.700 0.254 0.000 0.785 282 K N 1.984 122.449 120.400 0.107 0.000 2.323 282 K HA 0.251 4.571 4.320 -0.000 0.000 0.197 282 K C 0.764 177.410 176.600 0.076 0.000 1.043 282 K CA 0.774 57.083 56.287 0.036 0.000 0.997 282 K CB 0.184 32.683 32.500 -0.001 0.000 0.807 282 K HN 0.399 nan 8.250 nan 0.000 0.497 283 V N -0.073 119.925 119.914 0.141 0.000 2.925 283 V HA 0.659 4.779 4.120 -0.000 0.000 0.311 283 V C -1.390 174.805 176.094 0.168 0.000 1.104 283 V CA -0.715 61.667 62.300 0.137 0.000 0.954 283 V CB 1.976 33.845 31.823 0.077 0.000 1.022 283 V HN 0.295 nan 8.190 nan 0.000 0.427 284 V N 5.737 125.683 119.914 0.054 0.000 2.686 284 V HA 0.716 4.836 4.120 -0.000 0.000 0.306 284 V C -1.606 174.388 176.094 -0.168 0.000 1.065 284 V CA -0.319 61.857 62.300 -0.207 0.000 0.894 284 V CB 1.884 33.417 31.823 -0.484 0.000 1.004 284 V HN 0.728 nan 8.190 nan 0.000 0.424 285 L N 6.160 127.248 121.223 -0.225 0.000 2.346 285 L HA 0.586 4.926 4.340 -0.000 0.000 0.274 285 L C -1.380 175.320 176.870 -0.284 0.000 1.007 285 L CA -0.752 54.025 54.840 -0.105 0.000 0.818 285 L CB 2.265 44.331 42.059 0.013 0.000 1.284 285 L HN 0.657 nan 8.230 nan 0.000 0.424 286 Y N 1.008 121.258 120.300 -0.083 0.000 2.676 286 Y HA 0.195 4.745 4.550 -0.000 0.000 0.338 286 Y C 0.858 176.735 175.900 -0.039 0.000 1.057 286 Y CA -0.653 57.399 58.100 -0.080 0.000 1.314 286 Y CB 0.782 39.187 38.460 -0.092 0.000 1.164 286 Y HN 0.501 nan 8.280 nan 0.000 0.509 287 S N 3.142 118.861 115.700 0.033 0.000 2.548 287 S HA 0.538 5.008 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 -0.563 57.665 58.200 0.046 0.000 1.050 287 S CB 0.935 64.154 63.200 0.032 0.000 0.918 287 S HN 0.744 nan 8.310 nan 0.000 0.497 288 E N 1.120 121.353 120.200 0.054 0.000 2.423 288 E HA 0.408 4.758 4.350 -0.000 0.000 0.280 288 E C -2.063 174.559 176.600 0.037 0.000 1.030 288 E CA -1.008 55.419 56.400 0.044 0.000 0.812 288 E CB 0.898 30.626 29.700 0.046 0.000 1.313 288 E HN 0.463 nan 8.360 nan 0.000 0.456 289 D N 1.224 121.640 120.400 0.028 0.000 2.256 289 D HA 0.428 5.068 4.640 -0.000 0.000 0.240 289 D C -0.457 175.847 176.300 0.006 0.000 1.062 289 D CA -0.292 53.721 54.000 0.021 0.000 0.832 289 D CB 1.985 42.797 40.800 0.021 0.000 1.135 289 D HN 0.454 nan 8.370 nan 0.000 0.484 290 V N -0.382 119.530 119.914 -0.004 0.000 3.046 290 V HA 0.500 4.620 4.120 -0.000 0.000 0.316 290 V C 0.003 176.076 176.094 -0.035 0.000 1.104 290 V CA -0.885 61.398 62.300 -0.029 0.000 1.006 290 V CB 2.351 34.144 31.823 -0.050 0.000 1.058 290 V HN 0.293 nan 8.190 nan 0.000 0.440 291 D N 2.163 122.528 120.400 -0.058 0.000 2.619 291 D HA 0.224 4.864 4.640 -0.000 0.000 0.224 291 D C 0.032 176.291 176.300 -0.068 0.000 1.133 291 D CA -0.065 53.906 54.000 -0.048 0.000 1.017 291 D CB 0.031 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 2.440 122.981 120.570 -0.048 0.000 2.618 292 I HA -0.030 4.140 4.170 -0.000 0.000 0.284 292 I C 0.251 176.362 176.117 -0.011 0.000 1.146 292 I CA 0.545 61.818 61.300 -0.045 0.000 1.425 292 I CB 0.305 38.292 38.000 -0.022 0.000 1.383 292 I HN 0.225 nan 8.210 nan 0.000 0.562 293 E N 3.705 123.906 120.200 0.002 0.000 2.433 293 E HA 0.572 4.922 4.350 -0.000 0.000 0.273 293 E C -1.046 175.577 176.600 0.038 0.000 0.950 293 E CA -0.905 55.521 56.400 0.044 0.000 0.796 293 E CB 1.683 31.441 29.700 0.097 0.000 1.330 293 E HN 0.461 nan 8.360 nan 0.000 0.455 294 T N -2.238 112.342 114.554 0.043 0.000 3.631 294 T HA 0.247 4.597 4.350 -0.000 0.000 0.256 294 T C -2.313 172.423 174.700 0.061 0.000 1.187 294 T CA -1.247 60.883 62.100 0.050 0.000 1.667 294 T CB 0.479 69.383 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 0.429 177.761 177.300 0.053 0.000 1.148 295 P CA 1.209 64.336 63.100 0.045 0.000 0.779 295 P CB 0.049 31.764 31.700 0.024 0.000 0.780 296 D N -2.274 118.182 120.400 0.093 0.000 2.594 296 D HA 0.062 4.702 4.640 -0.000 0.000 0.256 296 D C 0.022 176.374 176.300 0.086 0.000 1.393 296 D CA -0.263 53.770 54.000 0.055 0.000 0.797 296 D CB -0.368 40.464 40.800 0.054 0.000 1.110 296 D HN 0.126 nan 8.370 nan 0.000 0.495 297 T N -2.734 111.894 114.554 0.124 0.000 2.865 297 T HA 0.643 4.993 4.350 -0.000 0.000 0.294 297 T C -0.627 174.205 174.700 0.219 0.000 1.119 297 T CA -0.832 61.371 62.100 0.171 0.000 1.007 297 T CB 2.586 71.531 68.868 0.129 0.000 1.225 297 T HN 0.312 nan 8.240 nan 0.000 0.515 298 H N -0.600 118.501 119.070 0.051 0.000 2.977 298 H HA 0.531 5.087 4.556 -0.000 0.000 0.350 298 H C -1.183 174.162 175.328 0.029 0.000 1.238 298 H CA -1.457 54.604 56.048 0.022 0.000 1.124 298 H CB 0.807 30.559 29.762 -0.016 0.000 1.866 298 H HN 0.580 nan 8.280 nan 0.000 0.550 299 I N 2.783 123.355 120.570 0.004 0.000 2.379 299 I HA -0.035 4.135 4.170 -0.000 0.000 0.290 299 I C 1.571 177.634 176.117 -0.091 0.000 1.063 299 I CA 0.173 61.442 61.300 -0.052 0.000 1.351 299 I CB 0.996 38.984 38.000 -0.020 0.000 1.410 299 I HN 0.750 nan 8.210 nan 0.000 0.505 300 S N 6.033 121.660 115.700 -0.122 0.000 2.528 300 S HA -0.039 4.431 4.470 -0.000 0.000 0.219 300 S C 0.218 174.867 174.600 0.081 0.000 0.985 300 S CA 0.249 58.403 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 0.546 5.096 4.550 -0.000 0.000 0.329 301 Y C -1.167 174.705 175.900 -0.046 0.000 1.135 301 Y CA -1.197 56.873 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 0.352 4.832 4.480 -0.000 0.000 0.351 302 M C -1.947 173.876 176.300 -0.794 0.000 1.240 302 M CA -2.811 52.186 55.300 -0.505 0.000 1.083 302 M CB 1.136 33.581 32.600 -0.258 0.000 1.593 302 M HN 0.444 nan 8.290 nan 0.000 0.463 303 P HA 0.089 nan 4.420 nan 0.000 0.235 303 P C -0.659 176.495 177.300 -0.244 0.000 1.177 303 P CA 0.641 63.455 63.100 -0.477 0.000 0.785 303 P CB 0.433 32.004 31.700 -0.216 0.000 0.885 304 T N -2.110 112.319 114.554 -0.208 0.000 3.097 304 T HA 0.424 4.774 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 -0.424 61.598 62.100 -0.131 0.000 1.076 304 T CB 1.094 69.900 68.868 -0.102 0.000 1.209 304 T HN -0.178 nan 8.240 nan 0.000 0.474 305 I N -0.785 119.737 120.570 -0.081 0.000 3.688 305 I HA 0.697 4.867 4.170 -0.000 0.000 0.307 305 I C 0.989 177.077 176.117 -0.047 0.000 1.287 305 I CA -0.081 61.182 61.300 -0.061 0.000 1.192 305 I CB -2.031 35.941 38.000 -0.047 0.000 1.043 305 I HN 0.866 nan 8.210 nan 0.000 0.442 306 K N 0.869 121.237 120.400 -0.053 0.000 2.293 306 K HA 0.764 5.084 4.320 -0.000 0.000 0.267 306 K C 0.257 176.835 176.600 -0.038 0.000 1.010 306 K CA 0.127 56.390 56.287 -0.039 0.000 0.875 306 K CB -0.421 32.056 32.500 -0.038 0.000 1.106 306 K HN 1.476 nan 8.250 nan 0.000 0.450 307 E N 0.256 120.441 120.200 -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 0.293 56.683 56.400 -0.017 0.000 0.995 307 E CB -0.247 29.450 29.700 -0.006 0.000 0.974 307 E HN 2.401 nan 8.360 nan 0.000 0.465 308 G N 0.521 109.320 108.800 -0.002 0.000 2.722 308 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.686 308 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.686 308 G C -0.361 174.540 174.900 0.002 0.000 1.282 308 G CA -0.223 44.885 45.100 0.013 0.000 0.817 308 G HN 0.958 nan 8.290 nan 0.000 0.605 309 N N 0.185 118.903 118.700 0.031 0.000 2.492 309 N HA 0.569 5.309 4.740 -0.000 0.000 0.262 309 N C 0.562 176.067 175.510 -0.008 0.000 1.202 309 N CA 0.667 53.728 53.050 0.018 0.000 0.926 309 N CB 1.513 40.064 38.487 0.106 0.000 1.078 309 N HN 1.335 nan 8.380 nan 0.000 0.454 310 S N -0.648 114.913 115.700 -0.230 0.000 2.588 310 S HA 0.620 5.090 4.470 -0.000 0.000 0.269 310 S C 0.950 174.989 174.600 -0.935 0.000 1.157 310 S CA -0.315 57.634 58.200 -0.419 0.000 0.824 310 S CB 1.015 64.100 63.200 -0.193 0.000 1.126 310 S HN 0.574 nan 8.310 nan 0.000 0.464 311 R N 0.394 120.231 120.500 -1.104 0.000 2.139 311 R HA 0.037 4.377 4.340 -0.000 0.000 0.243 311 R C 2.478 178.430 176.300 -0.580 0.000 1.145 311 R CA 3.260 58.737 56.100 -1.039 0.000 0.976 311 R CB -2.386 27.675 30.300 -0.398 0.000 0.866 311 R HN 1.241 nan 8.270 nan 0.000 0.449 312 E N 1.090 121.064 120.200 -0.377 0.000 2.070 312 E HA -0.085 4.265 4.350 -0.000 0.000 0.197 312 E C 2.167 178.626 176.600 -0.235 0.000 1.004 312 E CA 1.440 57.697 56.400 -0.238 0.000 0.805 312 E CB -0.672 28.927 29.700 -0.169 0.000 0.744 312 E HN 0.663 nan 8.360 nan 0.000 0.451 313 L N -0.219 120.841 121.223 -0.271 0.000 2.450 313 L HA -0.064 4.276 4.340 -0.000 0.000 0.224 313 L C 2.781 179.523 176.870 -0.215 0.000 1.149 313 L CA 0.714 55.425 54.840 -0.214 0.000 0.816 313 L CB -0.293 41.655 42.059 -0.184 0.000 0.932 313 L HN 0.381 nan 8.230 nan 0.000 0.449 314 M N -0.823 118.590 119.600 -0.311 0.000 2.460 314 M HA -0.074 4.406 4.480 -0.000 0.000 0.263 314 M C 1.817 178.006 176.300 -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 31.781 32.600 -0.476 0.000 1.408 314 M HN 0.337 nan 8.290 nan 0.000 0.463 315 G N 0.435 109.163 108.800 -0.120 0.000 3.088 315 G HA2 0.059 4.019 3.960 -0.000 0.000 0.217 315 G HA3 0.059 4.019 3.960 -0.000 0.000 0.217 315 G C 0.386 175.352 174.900 0.110 0.000 1.159 315 G CA -0.403 44.691 45.100 -0.009 0.000 0.760 315 G HN 0.579 nan 8.290 nan 0.000 0.550 316 Q N 0.037 119.854 119.800 0.029 0.000 2.392 316 Q HA 0.436 4.776 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 0.057 55.892 55.803 0.054 0.000 0.888 316 Q CB 0.791 29.502 28.738 -0.046 0.000 1.260 316 Q HN 0.218 nan 8.270 nan 0.000 0.435 317 Q N 0.934 120.801 119.800 0.112 0.000 2.342 317 Q HA 0.476 4.816 4.340 -0.000 0.000 0.267 317 Q C -1.244 174.756 176.000 -0.001 0.000 1.038 317 Q CA -0.645 55.185 55.803 0.045 0.000 0.832 317 Q CB 2.498 31.254 28.738 0.030 0.000 1.323 317 Q HN 0.717 nan 8.270 nan 0.000 0.448 318 S N 2.344 118.037 115.700 -0.012 0.000 2.549 318 S HA 0.786 5.256 4.470 -0.000 0.000 0.297 318 S C -0.991 173.574 174.600 -0.059 0.000 1.115 318 S CA -0.625 57.584 58.200 0.016 0.000 1.059 318 S CB 0.820 64.135 63.200 0.193 0.000 1.046 318 S HN 0.665 nan 8.310 nan 0.000 0.506 319 M N 5.024 124.561 119.600 -0.104 0.000 2.378 319 M HA 0.517 4.997 4.480 -0.000 0.000 0.289 319 M C -2.833 173.467 176.300 0.001 0.000 1.136 319 M CA -2.011 53.215 55.300 -0.124 0.000 0.917 319 M CB 2.358 34.787 32.600 -0.286 0.000 1.669 319 M HN 0.409 nan 8.290 nan 0.000 0.461 320 P HA 0.108 nan 4.420 nan 0.000 0.269 320 P C -1.230 176.174 177.300 0.173 0.000 1.209 320 P CA 0.006 63.225 63.100 0.198 0.000 0.776 320 P CB 0.262 32.078 31.700 0.193 0.000 0.876 321 N N 1.721 120.508 118.700 0.146 0.000 2.503 321 N HA 0.156 4.896 4.740 -0.000 0.000 0.267 321 N C 0.403 175.884 175.510 -0.049 0.000 1.214 321 N CA -0.266 52.839 53.050 0.092 0.000 0.959 321 N CB 0.219 38.750 38.487 0.075 0.000 1.142 321 N HN 0.256 nan 8.380 nan 0.000 0.455 322 R N 1.583 122.010 120.500 -0.121 0.000 2.570 322 R HA 0.131 4.471 4.340 -0.000 0.000 0.277 322 R C -1.995 174.197 176.300 -0.180 0.000 1.039 322 R CA -0.997 54.984 56.100 -0.198 0.000 1.065 322 R CB -0.189 29.927 30.300 -0.305 0.000 0.964 322 R HN 0.400 nan 8.270 nan 0.000 0.428 323 P HA 0.003 nan 4.420 nan 0.000 0.268 323 P C -0.852 176.281 177.300 -0.279 0.000 1.205 323 P CA -0.005 62.868 63.100 -0.378 0.000 0.771 323 P CB 0.533 32.014 31.700 -0.366 0.000 0.858 324 N N 2.029 120.463 118.700 -0.443 0.000 2.621 324 N HA 0.213 4.953 4.740 -0.000 0.000 0.271 324 N C -1.697 173.646 175.510 -0.279 0.000 1.181 324 N CA -0.457 52.447 53.050 -0.243 0.000 0.805 324 N CB 0.150 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 2.610 122.945 120.300 0.058 0.000 2.319 325 Y HA 0.463 5.013 4.550 0.000 0.000 0.328 325 Y C 0.608 176.620 175.900 0.186 0.000 1.133 325 Y CA -0.067 58.136 58.100 0.172 0.000 1.265 325 Y CB 0.894 39.444 38.460 0.150 0.000 1.218 325 Y HN 0.288 nan 8.280 nan 0.000 0.508 326 I N 2.818 123.634 120.570 0.411 0.000 2.569 326 I HA 0.770 4.940 4.170 -0.000 0.000 0.290 326 I C -0.487 175.586 176.117 -0.073 0.000 1.088 326 I CA -0.693 60.661 61.300 0.090 0.000 1.047 326 I CB 1.771 39.757 38.000 -0.023 0.000 1.237 326 I HN 0.725 nan 8.210 nan 0.000 0.421 327 A N 4.645 127.397 122.820 -0.112 0.000 2.511 327 A HA 0.735 5.055 4.320 -0.000 0.000 0.293 327 A C -1.504 175.979 177.584 -0.168 0.000 1.098 327 A CA -0.591 51.342 52.037 -0.173 0.000 0.643 327 A CB 0.660 19.638 19.000 -0.036 0.000 1.302 327 A HN 0.402 nan 8.150 nan 0.000 0.446 328 F N 1.221 121.147 119.950 -0.039 0.000 2.444 328 F HA 0.468 4.995 4.527 0.000 0.000 0.331 328 F C 1.554 177.332 175.800 -0.036 0.000 1.167 328 F CA 0.584 58.591 58.000 0.012 0.000 1.262 328 F CB 0.620 39.715 39.000 0.159 0.000 1.196 328 F HN 0.530 nan 8.300 nan 0.000 0.583 329 R N 0.148 120.774 120.500 0.210 0.000 2.583 329 R HA 0.150 4.490 4.340 -0.000 0.000 0.268 329 R C -0.813 175.456 176.300 -0.052 0.000 1.101 329 R CA -0.922 55.223 56.100 0.075 0.000 1.180 329 R CB 0.200 30.564 30.300 0.108 0.000 1.128 329 R HN 0.497 nan 8.270 nan 0.000 0.568 330 D N 1.290 121.664 120.400 -0.043 0.000 2.472 330 D HA -0.079 4.561 4.640 -0.000 0.000 0.248 330 D C -0.199 176.070 176.300 -0.051 0.000 1.174 330 D CA 0.687 54.644 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 0.484 nan 8.370 nan 0.000 0.488 331 N N 3.555 122.187 118.700 -0.114 0.000 2.741 331 N HA -0.266 4.474 4.740 -0.000 0.000 0.251 331 N C -0.056 175.502 175.510 0.080 0.000 1.112 331 N CA 0.877 53.931 53.050 0.007 0.000 0.750 331 N CB -1.462 37.127 38.487 0.170 0.000 1.119 331 N HN 0.558 nan 8.380 nan 0.000 0.561 332 F N -1.819 118.193 119.950 0.102 0.000 3.093 332 F HA -0.252 4.275 4.527 -0.000 0.000 0.287 332 F C 0.987 176.852 175.800 0.109 0.000 0.882 332 F CA 0.203 58.256 58.000 0.087 0.000 1.063 332 F CB -2.080 36.945 39.000 0.042 0.000 1.097 332 F HN 0.204 nan 8.300 nan 0.000 0.604 333 I N 0.392 121.094 120.570 0.221 0.000 2.880 333 I HA 0.138 4.308 4.170 -0.000 0.000 0.296 333 I C 1.644 177.884 176.117 0.205 0.000 1.220 333 I CA 1.600 63.017 61.300 0.195 0.000 1.435 333 I CB 0.050 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 0.901 175.850 174.900 0.083 0.000 1.033 334 G CA 0.403 45.571 45.100 0.113 0.000 0.620 334 G HN 0.572 nan 8.290 nan 0.000 0.517 335 L N 0.183 121.507 121.223 0.169 0.000 1.989 335 L HA 0.126 4.466 4.340 -0.000 0.000 0.211 335 L C 1.910 178.823 176.870 0.071 0.000 1.071 335 L CA 1.651 56.603 54.840 0.186 0.000 0.749 335 L CB -0.217 41.967 42.059 0.207 0.000 0.890 335 L HN 0.440 nan 8.230 nan 0.000 0.431 336 M N -2.057 117.507 119.600 -0.059 0.000 2.367 336 M HA 0.209 4.689 4.480 -0.000 0.000 0.339 336 M C -1.063 175.037 176.300 -0.333 0.000 1.177 336 M CA -0.374 54.743 55.300 -0.306 0.000 1.068 336 M CB 1.356 33.644 32.600 -0.519 0.000 1.602 336 M HN -0.176 nan 8.290 nan 0.000 0.457 337 Y N 1.320 121.454 120.300 -0.277 0.000 2.319 337 Y HA 0.328 4.878 4.550 -0.000 0.000 0.328 337 Y C -0.889 174.850 175.900 -0.268 0.000 1.133 337 Y CA 0.477 58.464 58.100 -0.188 0.000 1.265 337 Y CB 0.581 38.930 38.460 -0.184 0.000 1.218 337 Y HN 0.394 nan 8.280 nan 0.000 0.508 338 Y N -0.180 120.281 120.300 0.269 0.000 2.571 338 Y HA 0.211 4.761 4.550 -0.000 0.000 0.341 338 Y C -0.071 175.932 175.900 0.171 0.000 1.076 338 Y CA -2.554 55.682 58.100 0.225 0.000 1.029 338 Y CB 1.437 40.057 38.460 0.268 0.000 1.308 338 Y HN 0.683 nan 8.280 nan 0.000 0.461 339 N N -0.382 118.512 118.700 0.323 0.000 2.716 339 N HA -0.171 4.569 4.740 -0.000 0.000 0.250 339 N C -0.692 174.906 175.510 0.148 0.000 1.033 339 N CA 0.977 54.162 53.050 0.224 0.000 0.727 339 N CB -1.230 37.415 38.487 0.263 0.000 0.950 339 N HN 0.813 nan 8.380 nan 0.000 0.541 340 S N -0.958 114.796 115.700 0.089 0.000 2.756 340 S HA 0.538 5.008 4.470 -0.000 0.000 0.303 340 S C 1.144 175.713 174.600 -0.052 0.000 1.135 340 S CA -0.619 57.608 58.200 0.045 0.000 1.066 340 S CB 0.976 64.245 63.200 0.115 0.000 1.008 340 S HN 0.120 nan 8.310 nan 0.000 0.482 341 T N 2.531 117.057 114.554 -0.047 0.000 2.759 341 T HA -0.065 4.285 4.350 -0.000 0.000 0.269 341 T C 2.134 176.763 174.700 -0.119 0.000 1.042 341 T CA 2.045 64.097 62.100 -0.081 0.000 1.140 341 T CB -0.259 68.578 68.868 -0.052 0.000 0.864 341 T HN 0.824 nan 8.240 nan 0.000 0.455 342 G N 1.385 110.116 108.800 -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 0.134 45.150 45.100 -0.140 0.000 0.784 342 G HN 0.475 nan 8.290 nan 0.000 0.543 343 N N 0.260 118.761 118.700 -0.332 0.000 2.644 343 N HA 0.198 4.938 4.740 -0.000 0.000 0.313 343 N C -0.616 174.600 175.510 -0.490 0.000 1.863 343 N CA -0.203 52.539 53.050 -0.513 0.000 0.918 343 N CB 0.981 38.839 38.487 -1.048 0.000 1.320 343 N HN 0.216 nan 8.380 nan 0.000 0.490 344 M N 1.177 120.527 119.600 -0.416 0.000 2.219 344 M HA 0.221 4.701 4.480 -0.000 0.000 0.353 344 M C 0.897 176.769 176.300 -0.713 0.000 1.304 344 M CA -0.114 54.892 55.300 -0.490 0.000 1.115 344 M CB 0.636 33.032 32.600 -0.340 0.000 1.664 344 M HN 0.227 nan 8.290 nan 0.000 0.459 345 G N 3.321 111.402 108.800 -1.198 0.000 2.699 345 G HA2 0.444 4.404 3.960 -0.000 0.000 0.246 345 G HA3 0.444 4.404 3.960 -0.000 0.000 0.246 345 G C -1.166 173.288 174.900 -0.743 0.000 1.219 345 G CA -0.626 43.396 45.100 -1.797 0.000 0.866 345 G HN 0.655 nan 8.290 nan 0.000 0.572 346 V N 0.549 120.278 119.914 -0.309 0.000 2.733 346 V HA 0.476 4.596 4.120 -0.000 0.000 0.306 346 V C -0.944 175.348 176.094 0.331 0.000 1.084 346 V CA -0.576 61.735 62.300 0.017 0.000 0.905 346 V CB 1.772 33.588 31.823 -0.012 0.000 1.010 346 V HN 0.686 nan 8.190 nan 0.000 0.424 347 L N 4.718 126.115 121.223 0.290 0.000 2.518 347 L HA 0.937 5.277 4.340 -0.000 0.000 0.262 347 L C -0.355 176.647 176.870 0.221 0.000 0.982 347 L CA 0.058 55.086 54.840 0.313 0.000 0.873 347 L CB 1.174 43.389 42.059 0.260 0.000 1.198 347 L HN 0.865 nan 8.230 nan 0.000 0.427 348 A N 2.808 125.772 122.820 0.240 0.000 2.515 348 A HA 0.835 5.155 4.320 -0.000 0.000 0.298 348 A C -0.180 177.560 177.584 0.261 0.000 1.059 348 A CA -0.208 51.961 52.037 0.220 0.000 0.698 348 A CB 1.312 20.399 19.000 0.145 0.000 1.289 348 A HN 0.816 nan 8.150 nan 0.000 0.404 349 G N 0.064 109.007 108.800 0.237 0.000 2.378 349 G HA2 0.399 4.359 3.960 -0.000 0.000 0.255 349 G HA3 0.399 4.359 3.960 -0.000 0.000 0.255 349 G C 0.390 175.296 174.900 0.009 0.000 1.270 349 G CA -0.174 44.970 45.100 0.074 0.000 0.876 349 G HN 0.824 nan 8.290 nan 0.000 0.521 350 Q N 1.745 121.510 119.800 -0.059 0.000 2.234 350 Q HA -0.161 4.179 4.340 -0.000 0.000 0.206 350 Q C 2.593 178.578 176.000 -0.026 0.000 0.980 350 Q CA 1.481 57.268 55.803 -0.027 0.000 0.869 350 Q CB -0.015 28.698 28.738 -0.042 0.000 0.912 350 Q HN 0.673 nan 8.270 nan 0.000 0.436 351 A N -0.299 122.491 122.820 -0.049 0.000 2.218 351 A HA 0.133 4.453 4.320 -0.000 0.000 0.209 351 A C 2.036 179.622 177.584 0.003 0.000 1.168 351 A CA 1.171 53.190 52.037 -0.030 0.000 0.804 351 A CB -0.128 18.843 19.000 -0.048 0.000 0.834 351 A HN 0.387 nan 8.150 nan 0.000 0.482 352 S N -2.798 112.916 115.700 0.024 0.000 2.564 352 S HA 0.377 4.847 4.470 -0.000 0.000 0.231 352 S C 1.479 176.109 174.600 0.050 0.000 1.067 352 S CA 1.689 59.919 58.200 0.050 0.000 0.908 352 S CB -0.062 63.188 63.200 0.082 0.000 0.809 352 S HN 1.596 nan 8.310 nan 0.000 0.491 353 Q N -0.698 119.131 119.800 0.049 0.000 2.264 353 Q HA -0.172 4.168 4.340 -0.000 0.000 0.207 353 Q C 0.580 176.611 176.000 0.052 0.000 0.702 353 Q CA 1.419 57.249 55.803 0.045 0.000 1.411 353 Q CB -2.669 26.086 28.738 0.027 0.000 1.717 353 Q HN 0.913 nan 8.270 nan 0.000 0.683 354 L N 1.730 122.994 121.223 0.069 0.000 2.292 354 L HA 0.627 4.967 4.340 -0.000 0.000 0.284 354 L C 0.040 176.966 176.870 0.093 0.000 1.065 354 L CA -0.566 54.319 54.840 0.075 0.000 0.806 354 L CB 1.446 43.556 42.059 0.085 0.000 1.175 354 L HN 0.547 nan 8.230 nan 0.000 0.431 355 N N 3.485 122.232 118.700 0.078 0.000 2.411 355 N HA 0.197 4.937 4.740 -0.000 0.000 0.259 355 N C 0.719 176.307 175.510 0.131 0.000 1.103 355 N CA 0.477 53.579 53.050 0.087 0.000 0.954 355 N CB 1.411 39.918 38.487 0.033 0.000 1.085 355 N HN 0.695 nan 8.380 nan 0.000 0.485 356 A N 3.506 126.427 122.820 0.167 0.000 2.067 356 A HA 0.029 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 0.526 52.698 52.037 0.225 0.000 0.661 356 A CB -0.019 19.088 19.000 0.178 0.000 0.801 356 A HN 0.450 nan 8.150 nan 0.000 0.452 357 V N 0.847 120.890 119.914 0.216 0.000 2.461 357 V HA 0.366 4.486 4.120 -0.000 0.000 0.275 357 V C -0.539 175.543 176.094 -0.020 0.000 1.047 357 V CA -0.105 62.288 62.300 0.155 0.000 0.955 357 V CB 1.259 33.080 31.823 -0.004 0.000 0.988 357 V HN 0.097 nan 8.190 nan 0.000 0.471 358 V N 4.448 124.278 119.914 -0.140 0.000 2.498 358 V HA 0.412 4.532 4.120 -0.000 0.000 0.283 358 V C -0.571 175.355 176.094 -0.280 0.000 1.015 358 V CA -0.576 61.505 62.300 -0.365 0.000 0.867 358 V CB 1.596 32.997 31.823 -0.703 0.000 1.025 358 V HN 0.836 nan 8.190 nan 0.000 0.441 359 D N 3.160 123.454 120.400 -0.177 0.000 2.384 359 D HA 0.795 5.435 4.640 -0.000 0.000 0.250 359 D C -0.818 175.491 176.300 0.015 0.000 1.029 359 D CA -0.256 53.727 54.000 -0.028 0.000 0.990 359 D CB 2.224 42.959 40.800 -0.109 0.000 1.175 359 D HN 0.356 nan 8.370 nan 0.000 0.532 360 L N 1.226 122.514 121.223 0.108 0.000 2.388 360 L HA 0.339 4.679 4.340 -0.000 0.000 0.264 360 L C 1.317 178.256 176.870 0.115 0.000 0.998 360 L CA -0.730 54.167 54.840 0.095 0.000 0.817 360 L CB 2.163 44.292 42.059 0.116 0.000 1.338 360 L HN 0.265 nan 8.230 nan 0.000 0.414 361 Q N 0.056 119.906 119.800 0.083 0.000 2.297 361 Q HA -0.136 4.204 4.340 -0.000 0.000 0.204 361 Q C 0.471 176.539 176.000 0.113 0.000 0.962 361 Q CA 0.984 56.839 55.803 0.087 0.000 0.879 361 Q CB 0.236 29.002 28.738 0.047 0.000 0.947 361 Q HN 0.622 nan 8.270 nan 0.000 0.462 362 D N 0.372 120.841 120.400 0.114 0.000 2.317 362 D HA -0.030 4.610 4.640 -0.000 0.000 0.211 362 D C 0.409 176.804 176.300 0.158 0.000 0.966 362 D CA 0.398 54.473 54.000 0.125 0.000 0.876 362 D CB 0.245 41.108 40.800 0.105 0.000 0.927 362 D HN 0.020 nan 8.370 nan 0.000 0.519 363 R N 0.310 120.919 120.500 0.180 0.000 2.500 363 R HA 0.257 4.597 4.340 -0.000 0.000 0.277 363 R C -0.567 175.854 176.300 0.200 0.000 1.026 363 R CA -0.483 55.732 56.100 0.192 0.000 1.058 363 R CB 0.633 31.087 30.300 0.257 0.000 1.078 363 R HN -0.202 nan 8.270 nan 0.000 0.509 364 N N 1.304 120.089 118.700 0.142 0.000 2.804 364 N HA 0.114 4.854 4.740 -0.000 0.000 0.251 364 N C -0.310 175.232 175.510 0.052 0.000 1.250 364 N CA -0.152 52.947 53.050 0.082 0.000 0.820 364 N CB 1.299 39.749 38.487 -0.061 0.000 1.156 364 N HN 0.562 nan 8.380 nan 0.000 0.512 365 T N 0.871 115.477 114.554 0.086 0.000 2.674 365 T HA -0.106 4.244 4.350 -0.000 0.000 0.265 365 T C 1.371 176.031 174.700 -0.066 0.000 1.039 365 T CA 1.181 63.269 62.100 -0.020 0.000 1.150 365 T CB 0.170 68.926 68.868 -0.186 0.000 0.864 365 T HN 0.443 nan 8.240 nan 0.000 0.427 366 E N 0.844 121.033 120.200 -0.019 0.000 2.058 366 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 366 E C 2.275 178.891 176.600 0.028 0.000 0.997 366 E CA 0.925 57.344 56.400 0.032 0.000 0.801 366 E CB -0.574 29.188 29.700 0.103 0.000 0.746 366 E HN 0.295 nan 8.360 nan 0.000 0.450 367 L N 1.114 122.318 121.223 -0.031 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 1.771 56.570 54.840 -0.068 0.000 0.747 367 L CB -0.754 41.244 42.059 -0.103 0.000 0.896 367 L HN -0.005 nan 8.230 nan 0.000 0.432 368 S N -1.741 113.966 115.700 0.012 0.000 2.387 368 S HA -0.309 4.161 4.470 -0.000 0.000 0.230 368 S C 2.094 176.725 174.600 0.052 0.000 1.035 368 S CA 1.665 59.901 58.200 0.061 0.000 1.014 368 S CB -0.606 62.628 63.200 0.058 0.000 0.836 368 S HN 0.636 nan 8.310 nan 0.000 0.466 369 Y N 1.671 121.918 120.300 -0.089 0.000 2.314 369 Y HA -0.015 4.535 4.550 -0.000 0.000 0.293 369 Y C 2.553 178.378 175.900 -0.125 0.000 1.129 369 Y CA 1.641 59.671 58.100 -0.115 0.000 1.201 369 Y CB -0.292 38.100 38.460 -0.113 0.000 0.999 369 Y HN 0.276 nan 8.280 nan 0.000 0.541 370 Q N 0.087 119.857 119.800 -0.050 0.000 2.050 370 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 370 Q C 2.367 178.249 176.000 -0.196 0.000 0.980 370 Q CA 1.708 57.438 55.803 -0.123 0.000 0.840 370 Q CB -0.518 28.115 28.738 -0.174 0.000 0.898 370 Q HN 0.529 nan 8.270 nan 0.000 0.424 371 L N 0.198 121.283 121.223 -0.229 0.000 2.156 371 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 371 L C 2.413 179.005 176.870 -0.463 0.000 1.095 371 L CA 0.351 55.071 54.840 -0.200 0.000 0.770 371 L CB -0.452 41.608 42.059 0.003 0.000 0.914 371 L HN 0.176 nan 8.230 nan 0.000 0.439 372 L N -0.098 120.719 121.223 -0.676 0.000 2.046 372 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 372 L C 2.346 178.861 176.870 -0.592 0.000 1.077 372 L CA 1.633 55.887 54.840 -0.977 0.000 0.747 372 L CB -0.312 41.349 42.059 -0.662 0.000 0.896 372 L HN 0.097 nan 8.230 nan 0.000 0.432 373 L N -0.421 120.517 121.223 -0.474 0.000 2.012 373 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 373 L C 2.343 179.115 176.870 -0.164 0.000 1.073 373 L CA 1.957 56.605 54.840 -0.320 0.000 0.748 373 L CB -0.818 41.072 42.059 -0.282 0.000 0.891 373 L HN 0.414 nan 8.230 nan 0.000 0.431 374 D N -0.279 120.073 120.400 -0.079 0.000 2.149 374 D HA -0.212 4.428 4.640 -0.000 0.000 0.198 374 D C 2.249 178.535 176.300 -0.023 0.000 0.990 374 D CA 1.521 55.529 54.000 0.014 0.000 0.839 374 D CB 0.134 41.068 40.800 0.223 0.000 0.948 374 D HN 0.290 nan 8.370 nan 0.000 0.460 375 S N -0.132 115.510 115.700 -0.097 0.000 2.428 375 S HA -0.121 4.349 4.470 -0.000 0.000 0.230 375 S C 2.045 176.618 174.600 -0.045 0.000 1.014 375 S CA 0.881 59.049 58.200 -0.053 0.000 0.957 375 S CB -0.712 62.441 63.200 -0.078 0.000 0.784 375 S HN 0.577 nan 8.310 nan 0.000 0.499 376 I N -2.072 118.440 120.570 -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 -0.040 37.910 38.000 -0.083 0.000 1.013 376 I HN 0.388 nan 8.210 nan 0.000 0.405 377 G N 0.848 109.625 108.800 -0.039 0.000 2.490 377 G HA2 0.118 4.078 3.960 -0.000 0.000 0.308 377 G HA3 0.118 4.078 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 -0.391 44.693 45.100 -0.027 0.000 0.825 377 G HN 0.051 nan 8.290 nan 0.000 0.479 378 D N 0.052 120.437 120.400 -0.025 0.000 2.456 378 D HA 0.330 4.970 4.640 -0.000 0.000 0.219 378 D C 1.451 177.735 176.300 -0.027 0.000 1.126 378 D CA -0.690 53.291 54.000 -0.032 0.000 0.890 378 D CB 0.987 41.762 40.800 -0.042 0.000 1.025 378 D HN 0.188 nan 8.370 nan 0.000 0.511 379 R N 1.143 121.624 120.500 -0.032 0.000 2.355 379 R HA -0.087 4.253 4.340 -0.000 0.000 0.219 379 R C 1.846 178.149 176.300 0.004 0.000 1.107 379 R CA 1.032 57.124 56.100 -0.013 0.000 1.021 379 R CB -1.109 29.158 30.300 -0.055 0.000 0.852 379 R HN 0.566 nan 8.270 nan 0.000 0.475 380 T N -2.281 112.248 114.554 -0.041 0.000 3.023 380 T HA 0.064 4.414 4.350 -0.000 0.000 0.266 380 T C 0.907 175.517 174.700 -0.149 0.000 1.093 380 T CA 0.149 62.204 62.100 -0.075 0.000 1.129 380 T CB 0.175 68.975 68.868 -0.114 0.000 0.899 380 T HN -0.029 nan 8.240 nan 0.000 0.491 381 R N 1.121 121.569 120.500 -0.087 0.000 2.490 381 R HA 0.355 4.695 4.340 -0.000 0.000 0.278 381 R C -0.873 175.489 176.300 0.103 0.000 1.069 381 R CA -0.436 55.594 56.100 -0.117 0.000 1.080 381 R CB 0.388 30.641 30.300 -0.077 0.000 1.030 381 R HN 0.300 nan 8.270 nan 0.000 0.491 382 Y N 1.510 121.738 120.300 -0.120 0.000 2.387 382 Y HA 0.372 4.922 4.550 -0.000 0.000 0.330 382 Y C 0.007 175.963 175.900 0.094 0.000 1.133 382 Y CA -1.310 56.715 58.100 -0.127 0.000 1.152 382 Y CB 0.821 38.961 38.460 -0.534 0.000 1.215 382 Y HN 0.357 nan 8.280 nan 0.000 0.466 383 F N 2.239 122.272 119.950 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 -1.608 56.446 58.000 0.090 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 5.008 120.817 115.700 0.181 0.000 2.380 384 S HA -0.300 4.170 4.470 -0.000 0.000 0.229 384 S C 2.142 176.505 174.600 -0.393 0.000 1.043 384 S CA 1.664 59.847 58.200 -0.027 0.000 1.038 384 S CB -0.563 62.677 63.200 0.066 0.000 0.872 384 S HN 0.791 nan 8.310 nan 0.000 0.456 385 M N -0.023 119.021 119.600 -0.927 0.000 2.113 385 M HA -0.164 4.316 4.480 -0.000 0.000 0.255 385 M C 1.250 177.060 176.300 -0.817 0.000 1.073 385 M CA 2.237 56.843 55.300 -1.157 0.000 1.091 385 M CB -0.310 31.202 32.600 -1.813 0.000 1.309 385 M HN 0.611 nan 8.290 nan 0.000 0.407 386 W N -0.686 120.300 121.300 -0.524 0.000 3.330 386 W HA 0.246 4.906 4.660 -0.000 0.000 0.348 386 W C 0.475 176.777 176.519 -0.362 0.000 1.205 386 W CA -0.611 56.627 57.345 -0.178 0.000 1.841 386 W CB -0.176 29.223 29.460 -0.103 0.000 1.084 386 W HN 0.376 nan 8.180 nan 0.000 0.665 387 N N 1.253 119.794 118.700 -0.265 0.000 2.747 387 N HA -0.258 4.482 4.740 -0.000 0.000 0.249 387 N C 0.020 175.405 175.510 -0.210 0.000 1.107 387 N CA 0.696 53.493 53.050 -0.423 0.000 0.707 387 N CB -1.128 36.628 38.487 -1.218 0.000 1.054 387 N HN 0.339 nan 8.380 nan 0.000 0.555 388 Q N 0.228 120.011 119.800 -0.028 0.000 2.641 388 Q HA 0.458 4.798 4.340 -0.000 0.000 0.225 388 Q C -0.751 175.256 176.000 0.011 0.000 1.309 388 Q CA 0.373 56.223 55.803 0.079 0.000 0.935 388 Q CB -0.009 28.894 28.738 0.274 0.000 1.557 388 Q HN 0.410 nan 8.270 nan 0.000 0.563 389 A N 3.701 126.437 122.820 -0.141 0.000 2.768 389 A HA 0.248 4.568 4.320 -0.000 0.000 0.299 389 A C -0.725 176.703 177.584 -0.260 0.000 1.171 389 A CA -0.568 51.185 52.037 -0.473 0.000 0.759 389 A CB 1.000 19.518 19.000 -0.805 0.000 1.267 389 A HN 0.484 nan 8.150 nan 0.000 0.421 390 V N 2.560 122.431 119.914 -0.073 0.000 2.814 390 V HA -0.003 4.117 4.120 -0.000 0.000 0.307 390 V C 0.052 176.142 176.094 -0.007 0.000 1.089 390 V CA 0.492 62.787 62.300 -0.009 0.000 1.212 390 V CB 0.370 32.210 31.823 0.028 0.000 0.912 390 V HN 0.790 nan 8.190 nan 0.000 0.497 391 D N 4.832 125.227 120.400 -0.008 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 0.174 0.000 1.166 391 D CA 0.426 54.459 54.000 0.055 0.000 0.879 391 D CB 1.322 42.098 40.800 -0.040 0.000 1.164 391 D HN 0.813 nan 8.370 nan 0.000 0.462 392 S N 1.264 117.124 115.700 0.267 0.000 2.794 392 S HA 0.757 5.227 4.470 -0.000 0.000 0.299 392 S C -1.111 173.558 174.600 0.116 0.000 1.179 392 S CA -0.916 57.397 58.200 0.187 0.000 0.838 392 S CB 1.760 64.956 63.200 -0.006 0.000 1.206 392 S HN 0.509 nan 8.310 nan 0.000 0.523 393 Y N -1.247 119.018 120.300 -0.058 0.000 2.625 393 Y HA 0.718 5.268 4.550 -0.000 0.000 0.338 393 Y C -1.312 174.471 175.900 -0.195 0.000 1.123 393 Y CA -1.309 56.646 58.100 -0.242 0.000 1.046 393 Y CB 0.289 38.445 38.460 -0.506 0.000 1.299 393 Y HN 0.644 nan 8.280 nan 0.000 0.464 394 D N 3.191 123.627 120.400 0.060 0.000 2.371 394 D HA 0.219 4.859 4.640 -0.000 0.000 0.256 394 D C -1.768 174.625 176.300 0.156 0.000 1.193 394 D CA -2.030 51.999 54.000 0.048 0.000 0.881 394 D CB 1.614 42.413 40.800 -0.002 0.000 1.143 394 D HN 0.383 nan 8.370 nan 0.000 0.473 395 P HA -0.112 nan 4.420 nan 0.000 0.218 395 P C 0.563 177.918 177.300 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 -1.331 119.132 120.400 0.106 0.000 2.348 396 D HA -0.034 4.606 4.640 -0.000 0.000 0.216 396 D C 1.776 178.198 176.300 0.203 0.000 0.970 396 D CA 0.600 54.697 54.000 0.161 0.000 0.889 396 D CB 0.012 40.917 40.800 0.176 0.000 0.912 396 D HN 0.083 nan 8.370 nan 0.000 0.524 397 V N 0.279 120.228 119.914 0.059 0.000 2.672 397 V HA -0.043 4.077 4.120 -0.000 0.000 0.242 397 V C 2.377 178.334 176.094 -0.228 0.000 1.059 397 V CA 0.592 62.819 62.300 -0.122 0.000 1.081 397 V CB -0.030 31.572 31.823 -0.368 0.000 0.752 397 V HN -0.029 nan 8.190 nan 0.000 0.472 398 R N 0.568 120.897 120.500 -0.285 0.000 2.075 398 R HA 0.068 4.408 4.340 -0.000 0.000 0.232 398 R C 0.558 176.717 176.300 -0.234 0.000 1.126 398 R CA 1.487 57.338 56.100 -0.414 0.000 0.963 398 R CB -0.093 29.805 30.300 -0.669 0.000 0.858 398 R HN 0.450 nan 8.270 nan 0.000 0.435 399 I N 1.438 121.942 120.570 -0.110 0.000 2.411 399 I HA 0.266 4.436 4.170 -0.000 0.000 0.284 399 I C -0.670 175.467 176.117 0.033 0.000 1.012 399 I CA -0.702 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 5.940 126.551 120.570 0.069 0.000 2.533 400 I HA 0.079 4.249 4.170 -0.000 0.000 0.284 400 I C 0.617 176.845 176.117 0.186 0.000 1.109 400 I CA 0.288 61.692 61.300 0.173 0.000 1.412 400 I CB 0.481 38.600 38.000 0.197 0.000 1.396 400 I HN 0.627 nan 8.210 nan 0.000 0.543 401 E N 6.676 126.991 120.200 0.191 0.000 2.256 401 E HA 0.133 4.483 4.350 -0.000 0.000 0.243 401 E C -0.676 175.932 176.600 0.013 0.000 0.925 401 E CA -0.602 55.870 56.400 0.121 0.000 0.748 401 E CB 0.560 30.328 29.700 0.112 0.000 1.206 401 E HN 0.432 nan 8.360 nan 0.000 0.428 402 N N 3.413 122.160 118.700 0.078 0.000 2.663 402 N HA -0.013 4.727 4.740 -0.000 0.000 0.250 402 N C 0.126 175.565 175.510 -0.118 0.000 1.129 402 N CA -0.042 53.010 53.050 0.003 0.000 0.995 402 N CB 0.197 38.818 38.487 0.222 0.000 1.324 402 N HN 0.562 nan 8.380 nan 0.000 0.512 403 H N 1.423 120.374 119.070 -0.197 0.000 2.529 403 H HA 0.287 4.843 4.556 -0.000 0.000 0.277 403 H C 1.072 176.264 175.328 -0.226 0.000 1.004 403 H CA 0.072 56.013 56.048 -0.178 0.000 1.167 403 H CB 0.132 29.797 29.762 -0.163 0.000 1.445 403 H HN 0.501 nan 8.280 nan 0.000 0.554 404 G N 1.754 110.339 108.800 -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 -0.186 174.466 174.900 -0.413 0.000 1.246 404 G CA 0.180 45.103 45.100 -0.296 0.000 0.919 404 G HN 0.865 nan 8.290 nan 0.000 0.577 405 T N -2.579 111.862 114.554 -0.189 0.000 2.909 405 T HA 0.691 5.041 4.350 -0.000 0.000 0.299 405 T C -0.547 174.110 174.700 -0.071 0.000 1.073 405 T CA -0.144 61.872 62.100 -0.139 0.000 0.999 405 T CB 2.337 71.163 68.868 -0.071 0.000 1.098 405 T HN 0.671 nan 8.240 nan 0.000 0.477 406 E N 2.280 122.443 120.200 -0.062 0.000 1.964 406 E HA 0.168 4.518 4.350 -0.000 0.000 0.264 406 E C -0.279 176.295 176.600 -0.043 0.000 1.120 406 E CA -0.414 55.957 56.400 -0.048 0.000 1.061 406 E CB 0.075 29.747 29.700 -0.047 0.000 1.190 406 E HN 0.676 nan 8.360 nan 0.000 0.459 407 D N 1.220 121.595 120.400 -0.042 0.000 2.755 407 D HA 0.022 4.662 4.640 -0.000 0.000 0.257 407 D C 0.535 176.804 176.300 -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 41.161 40.800 -0.044 0.000 1.059 407 D HN 0.075 nan 8.370 nan 0.000 0.486 408 E N 0.307 120.480 120.200 -0.044 0.000 2.051 408 E HA 0.022 4.372 4.350 -0.000 0.000 0.192 408 E C 0.686 177.259 176.600 -0.045 0.000 0.991 408 E CA 0.783 57.160 56.400 -0.038 0.000 0.799 408 E CB 0.103 29.785 29.700 -0.030 0.000 0.748 408 E HN 0.408 nan 8.360 nan 0.000 0.449 409 L N 2.410 123.601 121.223 -0.053 0.000 2.371 409 L HA 0.246 4.586 4.340 -0.000 0.000 0.272 409 L C -2.004 174.790 176.870 -0.127 0.000 1.124 409 L CA -1.961 52.840 54.840 -0.064 0.000 0.816 409 L CB 0.322 42.351 42.059 -0.050 0.000 1.129 409 L HN 0.030 nan 8.230 nan 0.000 0.448 410 P HA 0.236 nan 4.420 nan 0.000 0.281 410 P C -1.528 175.415 177.300 -0.595 0.000 1.249 410 P CA -0.601 62.265 63.100 -0.391 0.000 0.810 410 P CB 0.641 32.065 31.700 -0.459 0.000 1.008 411 N N 1.046 119.366 118.700 -0.633 0.000 2.372 411 N HA 0.424 5.164 4.740 -0.000 0.000 0.285 411 N C -1.030 174.104 175.510 -0.626 0.000 1.008 411 N CA -0.477 52.270 53.050 -0.506 0.000 0.880 411 N CB 0.876 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 0.003 120.198 120.300 -0.175 0.000 2.598 412 Y HA 0.636 5.186 4.550 -0.000 0.000 0.340 412 Y C 0.222 175.800 175.900 -0.536 0.000 1.038 412 Y CA -1.425 56.416 58.100 -0.431 0.000 1.100 412 Y CB 1.145 39.183 38.460 -0.703 0.000 1.281 412 Y HN 0.519 nan 8.280 nan 0.000 0.488 413 C N 0.390 119.384 119.300 -0.509 0.000 2.455 413 C HA 0.916 5.376 4.460 -0.000 0.000 0.320 413 C C -1.025 173.573 174.990 -0.653 0.000 1.226 413 C CA -1.049 57.733 59.018 -0.395 0.000 1.569 413 C CB -0.789 26.853 27.740 -0.163 0.000 2.200 413 C HN 0.613 nan 8.230 nan 0.000 0.491 414 F N 1.034 120.973 119.950 -0.017 0.000 2.639 414 F HA 0.803 5.330 4.527 -0.000 0.000 0.339 414 F C -1.977 173.819 175.800 -0.008 0.000 1.071 414 F CA -2.319 55.658 58.000 -0.038 0.000 0.994 414 F CB 0.334 39.306 39.000 -0.047 0.000 1.341 414 F HN 0.392 nan 8.300 nan 0.000 0.498 415 P HA 0.273 nan 4.420 nan 0.000 0.275 415 P C 0.825 178.120 177.300 -0.010 0.000 1.228 415 P CA -0.286 62.894 63.100 0.132 0.000 0.786 415 P CB 0.752 32.547 31.700 0.158 0.000 0.927 416 L N 1.157 122.350 121.223 -0.051 0.000 2.089 416 L HA -0.180 4.160 4.340 -0.000 0.000 0.213 416 L C 2.143 178.631 176.870 -0.636 0.000 1.079 416 L CA 2.225 56.947 54.840 -0.196 0.000 0.758 416 L CB -1.244 40.791 42.059 -0.040 0.000 0.891 416 L HN 0.586 nan 8.230 nan 0.000 0.433 417 G N -1.808 106.437 108.800 -0.925 0.000 2.985 417 G HA2 0.275 4.235 3.960 -0.000 0.000 0.209 417 G HA3 0.275 4.235 3.960 -0.000 0.000 0.209 417 G C 1.288 175.795 174.900 -0.655 0.000 1.165 417 G CA 0.493 44.580 45.100 -1.688 0.000 0.776 417 G HN 0.552 nan 8.290 nan 0.000 0.541 418 G N -1.681 106.911 108.800 -0.346 0.000 2.212 418 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.266 418 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.266 418 G C 0.096 174.953 174.900 -0.072 0.000 0.978 418 G CA 0.512 45.505 45.100 -0.178 0.000 0.632 418 G HN 1.194 nan 8.290 nan 0.000 0.537 419 V N -0.342 119.544 119.914 -0.046 0.000 3.023 419 V HA 0.673 4.793 4.120 -0.000 0.000 0.294 419 V C 0.275 176.428 176.094 0.098 0.000 1.324 419 V CA 0.028 62.358 62.300 0.049 0.000 0.979 419 V CB 1.968 33.818 31.823 0.046 0.000 1.093 419 V HN 0.365 nan 8.190 nan 0.000 0.434 420 I N 2.726 123.369 120.570 0.121 0.000 4.770 420 I HA 0.330 4.500 4.170 -0.000 0.000 0.327 420 I C 0.538 176.698 176.117 0.072 0.000 1.271 420 I CA 0.188 61.561 61.300 0.122 0.000 1.320 420 I CB 0.796 38.865 38.000 0.116 0.000 1.319 420 I HN 0.618 nan 8.210 nan 0.000 0.462 421 N N 2.824 121.553 118.700 0.049 0.000 2.802 421 N HA 0.113 4.853 4.740 -0.000 0.000 0.288 421 N C -0.111 175.417 175.510 0.030 0.000 1.268 421 N CA 0.178 53.238 53.050 0.017 0.000 1.035 421 N CB -0.115 38.367 38.487 -0.008 0.000 1.353 421 N HN 0.370 nan 8.380 nan 0.000 0.522 422 T N -1.555 113.026 114.554 0.045 0.000 2.860 422 T HA 0.205 4.555 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 -0.636 61.487 62.100 0.039 0.000 1.071 422 T CB 1.393 70.293 68.868 0.054 0.000 0.985 422 T HN 0.379 nan 8.240 nan 0.000 0.537 423 E N 0.662 120.871 120.200 0.013 0.000 2.210 423 E HA 0.355 4.705 4.350 -0.000 0.000 0.266 423 E C -1.097 175.504 176.600 0.001 0.000 0.883 423 E CA -0.997 55.406 56.400 0.004 0.000 0.761 423 E CB 1.323 31.021 29.700 -0.003 0.000 1.156 423 E HN 0.597 nan 8.360 nan 0.000 0.412 424 T N 4.289 118.843 114.554 -0.000 0.000 2.902 424 T HA 0.232 4.582 4.350 -0.000 0.000 0.301 424 T C 0.197 174.893 174.700 -0.006 0.000 1.012 424 T CA 0.076 62.175 62.100 -0.001 0.000 1.151 424 T CB 0.061 68.928 68.868 -0.001 0.000 0.946 424 T HN 0.367 nan 8.240 nan 0.000 0.542 425 L N 1.845 123.064 121.223 -0.005 0.000 2.303 425 L HA 0.639 4.979 4.340 -0.000 0.000 0.256 425 L C 0.134 176.999 176.870 -0.008 0.000 1.034 425 L CA -1.055 53.776 54.840 -0.015 0.000 0.832 425 L CB 2.568 44.611 42.059 -0.028 0.000 1.403 425 L HN 0.519 nan 8.230 nan 0.000 0.419 426 T N 0.693 115.236 114.554 -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 1.840 70.709 68.868 0.002 0.000 0.976 426 T HN 0.369 nan 8.240 nan 0.000 0.441 427 K N 2.664 123.053 120.400 -0.020 0.000 2.382 427 K HA 0.480 4.800 4.320 -0.000 0.000 0.275 427 K C -0.873 175.716 176.600 -0.019 0.000 1.009 427 K CA -0.214 56.033 56.287 -0.068 0.000 0.970 427 K CB 0.479 32.890 32.500 -0.148 0.000 0.934 427 K HN 0.309 nan 8.250 nan 0.000 0.479 428 V N 1.774 121.680 119.914 -0.013 0.000 3.040 428 V HA 0.608 4.728 4.120 -0.000 0.000 0.312 428 V C -0.606 175.593 176.094 0.175 0.000 1.115 428 V CA -0.750 61.600 62.300 0.083 0.000 0.998 428 V CB 1.909 33.774 31.823 0.069 0.000 1.042 428 V HN 0.903 nan 8.190 nan 0.000 0.433 429 K N 3.612 124.150 120.400 0.229 0.000 2.316 429 K HA 0.896 5.216 4.320 -0.000 0.000 0.251 429 K C -3.048 173.656 176.600 0.173 0.000 0.934 429 K CA -1.872 54.526 56.287 0.186 0.000 0.802 429 K CB 1.638 34.185 32.500 0.079 0.000 1.171 429 K HN 0.506 nan 8.250 nan 0.000 0.426 438 W N 0.139 121.435 121.300 -0.007 0.000 2.936 438 W HA 0.736 5.396 4.660 -0.000 0.000 0.338 438 W C 0.094 176.609 176.519 -0.007 0.000 1.121 438 W CA -0.372 56.968 57.345 -0.009 0.000 1.209 438 W CB 2.030 31.482 29.460 -0.012 0.000 1.420 438 W HN 0.795 nan 8.180 nan 0.000 0.516 439 E N 0.346 120.674 120.200 0.214 0.000 2.256 439 E HA 0.647 4.997 4.350 -0.000 0.000 0.268 439 E C -0.319 176.356 176.600 0.124 0.000 0.877 439 E CA -0.871 55.604 56.400 0.125 0.000 0.757 439 E CB 0.874 30.610 29.700 0.060 0.000 1.183 439 E HN 0.648 nan 8.360 nan 0.000 0.418 440 K N 1.383 121.838 120.400 0.091 0.000 2.469 440 K HA 0.322 4.642 4.320 -0.000 0.000 0.274 440 K C -0.189 176.452 176.600 0.068 0.000 0.983 440 K CA 0.372 56.702 56.287 0.072 0.000 0.974 440 K CB 0.390 32.921 32.500 0.051 0.000 0.913 440 K HN 0.696 nan 8.250 nan 0.000 0.493 441 D N -0.433 120.006 120.400 0.066 0.000 2.252 441 D HA 0.787 5.427 4.640 -0.000 0.000 0.245 441 D C -0.658 175.695 176.300 0.088 0.000 1.009 441 D CA 0.576 54.622 54.000 0.077 0.000 0.870 441 D CB 1.754 42.598 40.800 0.074 0.000 1.251 441 D HN 0.818 nan 8.370 nan 0.000 0.460 446 S N 0.001 115.808 115.700 0.179 0.000 2.672 446 S HA 0.452 4.922 4.470 -0.000 0.000 0.276 446 S C 0.625 175.280 174.600 0.093 0.000 1.207 446 S CA -0.395 57.861 58.200 0.092 0.000 1.002 446 S CB 0.274 63.501 63.200 0.045 0.000 0.998 446 S HN 0.551 nan 8.310 nan 0.000 0.542 447 D N 0.387 120.819 120.400 0.053 0.000 2.269 447 D HA 0.171 4.811 4.640 -0.000 0.000 0.208 447 D C 0.602 176.920 176.300 0.030 0.000 0.963 447 D CA 1.369 55.392 54.000 0.039 0.000 0.864 447 D CB -0.198 40.617 40.800 0.025 0.000 0.936 447 D HN 0.666 nan 8.370 nan 0.000 0.505 448 K N 1.247 121.664 120.400 0.029 0.000 2.640 448 K HA 0.372 4.692 4.320 -0.000 0.000 0.245 448 K C -0.749 175.865 176.600 0.023 0.000 0.962 448 K CA -0.820 55.478 56.287 0.019 0.000 0.896 448 K CB 0.429 32.932 32.500 0.005 0.000 1.147 448 K HN -0.041 nan 8.250 nan 0.000 0.445 449 N N 1.967 120.685 118.700 0.030 0.000 2.342 449 N HA 0.293 5.033 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 -0.619 52.453 53.050 0.036 0.000 0.857 449 N CB 2.175 40.700 38.487 0.063 0.000 1.256 449 N HN 0.661 nan 8.380 nan 0.000 0.484 450 E N 1.736 121.949 120.200 0.021 0.000 2.167 450 E HA 0.465 4.815 4.350 -0.000 0.000 0.284 450 E C -0.371 176.247 176.600 0.031 0.000 1.016 450 E CA -0.059 56.355 56.400 0.024 0.000 0.817 450 E CB 1.330 31.046 29.700 0.028 0.000 1.080 450 E HN 0.419 nan 8.360 nan 0.000 0.397 451 I N 2.583 123.166 120.570 0.022 0.000 2.533 451 I HA 0.314 4.484 4.170 -0.000 0.000 0.290 451 I C -0.482 175.646 176.117 0.018 0.000 1.056 451 I CA -1.121 60.190 61.300 0.019 0.000 1.057 451 I CB 1.863 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 5.615 126.129 120.500 0.024 0.000 2.234 452 R HA 0.483 4.823 4.340 -0.000 0.000 0.324 452 R C -1.565 174.743 176.300 0.012 0.000 1.054 452 R CA -0.210 55.905 56.100 0.025 0.000 0.912 452 R CB 0.928 31.250 30.300 0.037 0.000 1.030 452 R HN 0.419 nan 8.270 nan 0.000 0.455 453 V N 6.014 125.933 119.914 0.009 0.000 2.333 453 V HA 0.741 4.861 4.120 -0.000 0.000 0.274 453 V C 0.809 176.907 176.094 0.007 0.000 1.028 453 V CA 0.659 62.959 62.300 0.001 0.000 0.851 453 V CB 0.295 32.113 31.823 -0.009 0.000 1.000 453 V HN 1.068 nan 8.190 nan 0.000 0.456 454 G N 5.360 114.163 108.800 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 1.087 119.796 118.700 0.015 0.000 2.381 455 N HA 0.356 5.096 4.740 -0.000 0.000 0.254 455 N C 0.733 176.269 175.510 0.043 0.000 1.264 455 N CA 0.288 53.346 53.050 0.014 0.000 0.942 455 N CB 0.218 38.703 38.487 -0.003 0.000 1.190 455 N HN 0.916 nan 8.380 nan 0.000 0.495 456 N N -0.576 118.155 118.700 0.052 0.000 2.408 456 N HA 0.113 4.853 4.740 -0.000 0.000 0.260 456 N C -0.668 174.944 175.510 0.170 0.000 1.242 456 N CA -0.381 52.735 53.050 0.110 0.000 0.959 456 N CB 0.131 38.678 38.487 0.100 0.000 1.201 456 N HN 0.382 nan 8.380 nan 0.000 0.511 457 F N -0.099 119.887 119.950 0.061 0.000 2.467 457 F HA 0.530 5.057 4.527 -0.000 0.000 0.362 457 F C -0.166 175.656 175.800 0.038 0.000 1.090 457 F CA -0.713 57.311 58.000 0.039 0.000 1.202 457 F CB -0.161 38.862 39.000 0.038 0.000 1.113 457 F HN 0.728 nan 8.300 nan 0.000 0.541 458 A N 7.639 130.030 122.820 -0.715 0.000 2.498 458 A HA 0.805 5.125 4.320 -0.000 0.000 0.298 458 A C -1.250 175.871 177.584 -0.772 0.000 1.075 458 A CA -0.904 50.699 52.037 -0.724 0.000 0.714 458 A CB 1.546 20.196 19.000 -0.584 0.000 1.299 458 A HN 0.668 nan 8.150 nan 0.000 0.407 459 M N 1.440 120.701 119.600 -0.565 0.000 2.393 459 M HA 0.446 4.926 4.480 -0.000 0.000 0.316 459 M C -0.433 175.790 176.300 -0.129 0.000 1.087 459 M CA -0.174 54.934 55.300 -0.320 0.000 0.937 459 M CB 1.723 34.169 32.600 -0.256 0.000 1.668 459 M HN 0.930 nan 8.290 nan 0.000 0.438 460 E N 2.236 122.413 120.200 -0.039 0.000 2.222 460 E HA 0.763 5.113 4.350 -0.000 0.000 0.272 460 E C -1.658 174.887 176.600 -0.091 0.000 0.982 460 E CA -0.597 55.783 56.400 -0.033 0.000 0.842 460 E CB 2.528 32.235 29.700 0.011 0.000 1.144 460 E HN 0.699 nan 8.360 nan 0.000 0.397 461 I N 2.708 123.190 120.570 -0.147 0.000 2.787 461 I HA 0.233 4.403 4.170 -0.000 0.000 0.294 461 I C -1.760 174.276 176.117 -0.135 0.000 1.365 461 I CA -0.718 60.513 61.300 -0.116 0.000 1.029 461 I CB 1.954 39.905 38.000 -0.081 0.000 1.313 461 I HN 0.402 nan 8.210 nan 0.000 0.431 462 N N 7.607 126.244 118.700 -0.105 0.000 2.767 462 N HA 0.291 5.031 4.740 -0.000 0.000 0.238 462 N C 0.797 176.279 175.510 -0.046 0.000 1.083 462 N CA -0.152 52.846 53.050 -0.088 0.000 0.964 462 N CB 0.519 38.959 38.487 -0.078 0.000 1.252 462 N HN 0.728 nan 8.380 nan 0.000 0.512 463 L N 1.839 123.032 121.223 -0.051 0.000 1.963 463 L HA -0.278 4.062 4.340 -0.000 0.000 0.220 463 L C 1.774 178.651 176.870 0.012 0.000 1.076 463 L CA 1.229 56.057 54.840 -0.020 0.000 0.772 463 L CB -0.431 41.611 42.059 -0.028 0.000 0.892 463 L HN 0.480 nan 8.230 nan 0.000 0.435 464 N N 0.079 118.783 118.700 0.006 0.000 2.069 464 N HA -0.175 4.565 4.740 -0.000 0.000 0.191 464 N C 1.817 177.380 175.510 0.088 0.000 1.031 464 N CA 1.659 54.727 53.050 0.031 0.000 0.852 464 N CB -0.386 38.099 38.487 -0.004 0.000 1.018 464 N HN 0.366 nan 8.380 nan 0.000 0.423 465 A N 1.711 124.575 122.820 0.074 0.000 1.908 465 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 465 A C 2.125 179.798 177.584 0.149 0.000 1.181 465 A CA 1.282 53.399 52.037 0.134 0.000 0.627 465 A CB -0.540 18.507 19.000 0.079 0.000 0.818 465 A HN 0.281 nan 8.150 nan 0.000 0.445 466 N N 0.159 118.910 118.700 0.085 0.000 2.025 466 N HA -0.143 4.597 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 1.733 54.825 53.050 0.069 0.000 0.851 466 N CB -0.468 38.040 38.487 0.035 0.000 1.036 466 N HN 0.497 nan 8.380 nan 0.000 0.422 467 L N 0.092 121.390 121.223 0.126 0.000 1.990 467 L HA -0.224 4.116 4.340 -0.000 0.000 0.213 467 L C 2.506 179.532 176.870 0.261 0.000 1.072 467 L CA 1.422 56.361 54.840 0.163 0.000 0.755 467 L CB -0.637 41.504 42.059 0.136 0.000 0.889 467 L HN 0.458 nan 8.230 nan 0.000 0.432 468 W N 1.382 122.714 121.300 0.053 0.000 2.321 468 W HA -0.273 4.387 4.660 -0.000 0.000 0.306 468 W C 2.731 179.335 176.519 0.143 0.000 1.217 468 W CA 1.404 58.793 57.345 0.073 0.000 1.257 468 W CB -0.126 29.342 29.460 0.013 0.000 1.145 468 W HN 0.123 nan 8.180 nan 0.000 0.509 469 R N 0.264 120.779 120.500 0.024 0.000 2.080 469 R HA -0.217 4.123 4.340 -0.000 0.000 0.236 469 R C 1.908 178.183 176.300 -0.040 0.000 1.137 469 R CA 2.316 58.352 56.100 -0.108 0.000 0.943 469 R CB -0.707 29.572 30.300 -0.035 0.000 0.846 469 R HN 0.157 nan 8.270 nan 0.000 0.431 470 N N -0.153 118.578 118.700 0.052 0.000 2.137 470 N HA -0.209 4.531 4.740 -0.000 0.000 0.190 470 N C 1.338 176.926 175.510 0.131 0.000 1.017 470 N CA 1.361 54.468 53.050 0.094 0.000 0.859 470 N CB -0.290 38.262 38.487 0.107 0.000 1.002 470 N HN 0.183 nan 8.380 nan 0.000 0.428 471 F N 0.789 120.735 119.950 -0.006 0.000 2.146 471 F HA 0.016 4.543 4.527 -0.000 0.000 0.298 471 F C 1.704 177.442 175.800 -0.103 0.000 1.096 471 F CA 1.015 59.010 58.000 -0.008 0.000 1.275 471 F CB -0.178 38.846 39.000 0.041 0.000 1.008 471 F HN -0.031 nan 8.300 nan 0.000 0.480 472 L N -1.154 119.906 121.223 -0.273 0.000 2.027 472 L HA -0.219 4.121 4.340 -0.000 0.000 0.206 472 L C 2.326 179.063 176.870 -0.222 0.000 1.074 472 L CA 1.518 56.125 54.840 -0.388 0.000 0.745 472 L CB -1.049 40.727 42.059 -0.471 0.000 0.898 472 L HN 0.176 nan 8.230 nan 0.000 0.433 473 Y N 0.124 120.295 120.300 -0.216 0.000 2.145 473 Y HA -0.309 4.241 4.550 -0.000 0.000 0.286 473 Y C 3.066 178.900 175.900 -0.110 0.000 1.145 473 Y CA 1.799 59.812 58.100 -0.147 0.000 1.148 473 Y CB -0.277 38.112 38.460 -0.118 0.000 0.981 473 Y HN 0.148 nan 8.280 nan 0.000 0.507 474 S N -0.095 115.599 115.700 -0.011 0.000 2.356 474 S HA -0.188 4.282 4.470 -0.000 0.000 0.223 474 S C 1.796 176.426 174.600 0.050 0.000 1.032 474 S CA 1.781 59.973 58.200 -0.013 0.000 1.005 474 S CB -0.434 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 0.038 118.679 118.700 -0.098 0.000 2.395 475 N HA 0.157 4.897 4.740 -0.000 0.000 0.175 475 N C 1.416 176.937 175.510 0.018 0.000 1.029 475 N CA 1.120 54.148 53.050 -0.038 0.000 0.897 475 N CB 0.064 38.279 38.487 -0.453 0.000 0.991 475 N HN 0.439 nan 8.380 nan 0.000 0.441 476 I N 0.605 121.103 120.570 -0.121 0.000 3.345 476 I HA 0.135 4.305 4.170 -0.000 0.000 0.258 476 I C 2.261 178.341 176.117 -0.062 0.000 1.134 476 I CA 0.272 61.530 61.300 -0.071 0.000 1.457 476 I CB -0.517 37.400 38.000 -0.138 0.000 1.425 476 I HN -0.141 nan 8.210 nan 0.000 0.461 477 A N 1.457 124.161 122.820 -0.193 0.000 1.870 477 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 477 A C 2.267 179.634 177.584 -0.361 0.000 1.224 477 A CA 2.133 53.989 52.037 -0.303 0.000 0.650 477 A CB -1.389 17.299 19.000 -0.520 0.000 0.836 477 A HN 0.405 nan 8.150 nan 0.000 0.454 478 L N -2.252 118.670 121.223 -0.500 0.000 2.261 478 L HA -0.206 4.134 4.340 -0.000 0.000 0.216 478 L C 2.005 178.577 176.870 -0.495 0.000 1.114 478 L CA 1.056 55.578 54.840 -0.529 0.000 0.777 478 L CB -0.435 41.267 42.059 -0.594 0.000 0.910 478 L HN 0.544 nan 8.230 nan 0.000 0.440 479 Y N -0.966 119.204 120.300 -0.217 0.000 2.466 479 Y HA 0.174 4.724 4.550 -0.000 0.000 0.272 479 Y C 1.136 176.964 175.900 -0.120 0.000 1.169 479 Y CA -0.642 57.374 58.100 -0.140 0.000 1.285 479 Y CB -0.146 38.273 38.460 -0.069 0.000 1.078 479 Y HN 0.003 nan 8.280 nan 0.000 0.523 480 L N 2.261 123.450 121.223 -0.057 0.000 2.499 480 L HA 0.004 4.344 4.340 -0.000 0.000 0.281 480 L C -1.891 174.919 176.870 -0.100 0.000 1.234 480 L CA -1.655 53.136 54.840 -0.082 0.000 0.839 480 L CB 0.055 42.028 42.059 -0.144 0.000 1.104 480 L HN -0.060 nan 8.230 nan 0.000 0.500 481 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 -0.104 62.949 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 2.408 122.775 120.400 -0.054 0.000 2.158 482 D HA -0.222 4.418 4.640 -0.000 0.000 0.197 482 D C 1.733 178.004 176.300 -0.048 0.000 0.995 482 D CA 1.436 55.413 54.000 -0.038 0.000 0.846 482 D CB -0.147 40.692 40.800 0.065 0.000 0.941 482 D HN 0.437 nan 8.370 nan 0.000 0.456 483 K N 0.363 120.734 120.400 -0.048 0.000 2.218 483 K HA -0.167 4.153 4.320 -0.000 0.000 0.205 483 K C 1.834 178.384 176.600 -0.084 0.000 1.046 483 K CA 1.061 57.319 56.287 -0.048 0.000 0.933 483 K CB -0.385 32.092 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 0.888 177.698 176.870 -0.100 0.000 1.128 484 L CA 0.131 54.867 54.840 -0.175 0.000 0.868 484 L CB 0.036 41.902 42.059 -0.322 0.000 1.006 484 L HN 0.097 nan 8.230 nan 0.000 0.454 485 K N -0.064 120.275 120.400 -0.103 0.000 2.209 485 K HA 0.464 4.784 4.320 -0.000 0.000 0.238 485 K C -1.114 175.477 176.600 -0.015 0.000 1.028 485 K CA -0.621 55.587 56.287 -0.132 0.000 0.935 485 K CB 1.224 33.584 32.500 -0.234 0.000 1.162 485 K HN -0.140 nan 8.250 nan 0.000 0.485 486 Y N -3.028 117.198 120.300 -0.123 0.000 2.581 486 Y HA 0.401 4.951 4.550 -0.000 0.000 0.337 486 Y C -1.016 174.813 175.900 -0.118 0.000 1.108 486 Y CA -1.170 56.869 58.100 -0.102 0.000 1.033 486 Y CB 0.915 39.323 38.460 -0.087 0.000 1.318 486 Y HN 0.351 nan 8.280 nan 0.000 0.459 487 S N 4.462 120.230 115.700 0.114 0.000 2.565 487 S HA 0.423 4.893 4.470 -0.000 0.000 0.276 487 S C -2.457 172.217 174.600 0.123 0.000 1.326 487 S CA -0.859 57.352 58.200 0.019 0.000 1.045 487 S CB 0.280 63.493 63.200 0.022 0.000 0.918 487 S HN 0.555 nan 8.310 nan 0.000 0.505 488 P HA 0.258 nan 4.420 nan 0.000 0.277 488 P C -0.944 176.385 177.300 0.049 0.000 1.240 488 P CA -0.613 62.522 63.100 0.058 0.000 0.798 488 P CB 0.497 32.193 31.700 -0.007 0.000 0.979 489 S N 1.743 117.475 115.700 0.053 0.000 2.565 489 S HA 0.190 4.660 4.470 -0.000 0.000 0.274 489 S C 0.414 174.992 174.600 -0.036 0.000 1.309 489 S CA -0.634 57.572 58.200 0.009 0.000 1.043 489 S CB -0.314 62.891 63.200 0.009 0.000 0.939 489 S HN 0.538 nan 8.310 nan 0.000 0.504 490 N N -0.889 117.787 118.700 -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 -0.054 0.000 1.103 490 N CA 0.588 53.604 53.050 -0.057 0.000 0.707 490 N CB -1.543 36.887 38.487 -0.095 0.000 1.043 490 N HN 0.444 nan 8.380 nan 0.000 0.553 491 V N -0.456 119.438 119.914 -0.033 0.000 2.569 491 V HA 0.559 4.679 4.120 -0.000 0.000 0.301 491 V C 0.603 176.686 176.094 -0.017 0.000 1.044 491 V CA -0.693 61.592 62.300 -0.026 0.000 0.874 491 V CB 1.873 33.684 31.823 -0.021 0.000 1.002 491 V HN 0.334 nan 8.190 nan 0.000 0.424 492 K N 4.679 125.072 120.400 -0.012 0.000 2.448 492 K HA 0.634 4.954 4.320 -0.000 0.000 0.278 492 K C -0.579 176.016 176.600 -0.009 0.000 1.009 492 K CA 0.331 56.615 56.287 -0.005 0.000 0.995 492 K CB 0.641 33.141 32.500 -0.001 0.000 0.917 492 K HN 0.771 nan 8.250 nan 0.000 0.481 493 I N 1.044 121.616 120.570 0.003 0.000 2.722 493 I HA 0.331 4.501 4.170 -0.000 0.000 0.295 493 I C 0.325 176.476 176.117 0.056 0.000 1.161 493 I CA -0.637 60.669 61.300 0.009 0.000 1.032 493 I CB 2.261 40.249 38.000 -0.019 0.000 1.244 493 I HN 0.842 nan 8.210 nan 0.000 0.421 494 S N 3.705 119.452 115.700 0.078 0.000 2.569 494 S HA 0.011 4.481 4.470 -0.000 0.000 0.274 494 S C 0.496 175.157 174.600 0.102 0.000 1.353 494 S CA 0.574 58.823 58.200 0.082 0.000 1.023 494 S CB 0.724 63.966 63.200 0.071 0.000 0.876 494 S HN 0.732 nan 8.310 nan 0.000 0.540 495 D N 0.797 121.210 120.400 0.021 0.000 2.327 495 D HA 0.126 4.766 4.640 -0.000 0.000 0.205 495 D C 0.007 176.224 176.300 -0.139 0.000 0.989 495 D CA 0.291 54.273 54.000 -0.031 0.000 0.873 495 D CB 0.042 40.829 40.800 -0.022 0.000 0.955 495 D HN 0.421 nan 8.370 nan 0.000 0.515 496 N N 0.794 119.418 118.700 -0.127 0.000 2.406 496 N HA 0.075 4.815 4.740 -0.000 0.000 0.251 496 N C -1.929 173.372 175.510 -0.348 0.000 1.069 496 N CA -1.911 51.031 53.050 -0.181 0.000 0.947 496 N CB 1.434 39.874 38.487 -0.080 0.000 1.111 496 N HN -0.113 nan 8.380 nan 0.000 0.497 497 P HA 0.015 nan 4.420 nan 0.000 0.229 497 P C 0.134 177.281 177.300 -0.256 0.000 1.160 497 P CA 0.782 63.364 63.100 -0.862 0.000 0.777 497 P CB 0.421 31.692 31.700 -0.714 0.000 0.814 498 N N -0.983 117.632 118.700 -0.142 0.000 2.383 498 N HA 0.016 4.756 4.740 -0.000 0.000 0.192 498 N C 0.523 176.032 175.510 -0.002 0.000 1.141 498 N CA 0.545 53.572 53.050 -0.038 0.000 0.851 498 N CB -0.320 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 -0.326 114.231 114.554 0.005 0.000 2.922 499 T HA 0.085 4.435 4.350 -0.000 0.000 0.285 499 T C 0.962 175.718 174.700 0.094 0.000 1.005 499 T CA -0.439 61.695 62.100 0.056 0.000 1.061 499 T CB 1.265 70.162 68.868 0.049 0.000 1.007 499 T HN 0.145 nan 8.240 nan 0.000 0.502 500 Y N 2.239 122.524 120.300 -0.025 0.000 2.220 500 Y HA -0.077 4.473 4.550 -0.000 0.000 0.291 500 Y C 2.182 178.035 175.900 -0.078 0.000 1.129 500 Y CA 2.078 60.140 58.100 -0.063 0.000 1.161 500 Y CB -0.204 38.204 38.460 -0.086 0.000 0.997 500 Y HN 0.848 nan 8.280 nan 0.000 0.522 501 D N -0.930 119.481 120.400 0.019 0.000 2.133 501 D HA -0.313 4.327 4.640 -0.000 0.000 0.195 501 D C 2.027 178.220 176.300 -0.178 0.000 0.997 501 D CA 1.857 55.804 54.000 -0.089 0.000 0.840 501 D CB -0.534 40.276 40.800 0.017 0.000 0.947 501 D HN 0.488 nan 8.370 nan 0.000 0.452 502 Y N 0.504 120.689 120.300 -0.192 0.000 2.089 502 Y HA -0.185 4.365 4.550 -0.000 0.000 0.282 502 Y C 2.295 178.039 175.900 -0.260 0.000 1.139 502 Y CA 1.846 59.836 58.100 -0.184 0.000 1.123 502 Y CB -0.377 38.011 38.460 -0.121 0.000 0.980 502 Y HN -0.002 nan 8.280 nan 0.000 0.493 503 M N -0.208 119.273 119.600 -0.199 0.000 2.202 503 M HA -0.236 4.244 4.480 -0.000 0.000 0.262 503 M C 1.789 177.774 176.300 -0.524 0.000 1.063 503 M CA 2.054 57.154 55.300 -0.333 0.000 1.097 503 M CB -0.472 31.981 32.600 -0.244 0.000 1.382 503 M HN 0.308 nan 8.290 nan 0.000 0.413 504 N N 0.377 118.671 118.700 -0.675 0.000 2.376 504 N HA -0.054 4.686 4.740 -0.000 0.000 0.177 504 N C 1.304 176.421 175.510 -0.656 0.000 1.024 504 N CA 1.026 53.617 53.050 -0.766 0.000 0.893 504 N CB 0.245 38.079 38.487 -1.088 0.000 0.980 504 N HN 0.222 nan 8.380 nan 0.000 0.439 505 K N -0.559 119.516 120.400 -0.542 0.000 2.276 505 K HA 0.198 4.518 4.320 -0.000 0.000 0.198 505 K C 0.001 176.377 176.600 -0.373 0.000 1.052 505 K CA -0.161 55.883 56.287 -0.405 0.000 0.984 505 K CB 0.351 32.675 32.500 -0.294 0.000 0.836 505 K HN -0.018 nan 8.250 nan 0.000 0.490 506 R N 1.813 122.003 120.500 -0.517 0.000 2.537 506 R HA -0.028 4.312 4.340 -0.000 0.000 0.281 506 R C -0.042 175.994 176.300 -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 0.015 nan 8.270 nan 0.000 0.409 507 V N 2.800 122.390 119.914 -0.540 0.000 2.612 507 V HA 0.575 4.695 4.120 -0.000 0.000 0.301 507 V C -0.478 175.229 176.094 -0.646 0.000 1.046 507 V CA -0.680 61.274 62.300 -0.577 0.000 0.946 507 V CB 2.043 33.489 31.823 -0.629 0.000 1.003 507 V HN 0.446 nan 8.190 nan 0.000 0.459 508 V N 5.947 125.652 119.914 -0.348 0.000 2.709 508 V HA 0.876 4.996 4.120 -0.000 0.000 0.308 508 V C 0.323 176.426 176.094 0.016 0.000 1.062 508 V CA -0.036 62.139 62.300 -0.208 0.000 0.901 508 V CB 1.688 33.371 31.823 -0.233 0.000 1.003 508 V HN 1.614 nan 8.190 nan 0.000 0.425 509 A N 7.917 130.764 122.820 0.045 0.000 2.404 509 A HA 0.596 4.916 4.320 -0.000 0.000 0.273 509 A C -1.628 176.041 177.584 0.142 0.000 1.144 509 A CA -1.072 51.015 52.037 0.084 0.000 0.806 509 A CB 0.329 19.353 19.000 0.040 0.000 1.080 509 A HN 0.788 nan 8.150 nan 0.000 0.509 510 P HA -0.101 nan 4.420 nan 0.000 0.220 510 P C 1.561 178.896 177.300 0.058 0.000 1.148 510 P CA 1.677 64.876 63.100 0.164 0.000 0.803 510 P CB 0.070 31.689 31.700 -0.136 0.000 0.782 511 G N -0.327 108.495 108.800 0.037 0.000 2.535 511 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.218 511 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.218 511 G C 1.410 176.345 174.900 0.057 0.000 1.122 511 G CA 0.250 45.382 45.100 0.052 0.000 0.769 511 G HN 0.256 nan 8.290 nan 0.000 0.549 512 L N -0.332 120.922 121.223 0.051 0.000 2.109 512 L HA 0.060 4.400 4.340 -0.000 0.000 0.207 512 L C 0.866 177.779 176.870 0.073 0.000 1.086 512 L CA 0.552 55.434 54.840 0.070 0.000 0.760 512 L CB 0.148 42.233 42.059 0.044 0.000 0.910 512 L HN 0.036 nan 8.230 nan 0.000 0.437 513 V N -0.781 119.143 119.914 0.017 0.000 2.468 513 V HA 0.221 4.341 4.120 -0.000 0.000 0.256 513 V C -0.409 175.604 176.094 -0.136 0.000 0.998 513 V CA -0.584 61.696 62.300 -0.034 0.000 1.114 513 V CB 0.524 32.318 31.823 -0.049 0.000 1.378 513 V HN 0.101 nan 8.190 nan 0.000 0.573 514 D N 0.556 120.811 120.400 -0.241 0.000 2.383 514 D HA 0.128 4.768 4.640 -0.000 0.000 0.248 514 D C 1.507 177.518 176.300 -0.482 0.000 1.170 514 D CA -0.010 53.720 54.000 -0.451 0.000 0.977 514 D CB 2.250 42.627 40.800 -0.705 0.000 1.120 514 D HN 0.539 nan 8.370 nan 0.000 0.481 515 C N 0.666 119.737 119.300 -0.381 0.000 2.400 515 C HA -0.162 4.298 4.460 -0.000 0.000 0.291 515 C C 1.905 176.968 174.990 0.121 0.000 1.372 515 C CA 0.189 59.166 59.018 -0.069 0.000 1.800 515 C CB -2.139 25.720 27.740 0.198 0.000 1.869 515 C HN 0.612 nan 8.230 nan 0.000 0.533 516 Y N -1.146 119.260 120.300 0.176 0.000 2.532 516 Y HA 0.593 5.143 4.550 -0.000 0.000 0.283 516 Y C 0.787 176.759 175.900 0.120 0.000 1.181 516 Y CA -2.167 56.017 58.100 0.141 0.000 1.256 516 Y CB -1.083 37.434 38.460 0.094 0.000 1.112 516 Y HN 0.177 nan 8.280 nan 0.000 0.521 517 I N 3.440 124.091 120.570 0.135 0.000 2.533 517 I HA 0.038 4.208 4.170 -0.000 0.000 0.284 517 I C 0.166 176.387 176.117 0.173 0.000 1.109 517 I CA 0.155 61.554 61.300 0.165 0.000 1.412 517 I CB -0.399 37.649 38.000 0.080 0.000 1.396 517 I HN 0.525 nan 8.210 nan 0.000 0.543 518 N N 5.543 124.322 118.700 0.132 0.000 2.698 518 N HA -0.245 4.495 4.740 -0.000 0.000 0.258 518 N C -0.082 175.482 175.510 0.090 0.000 0.978 518 N CA 0.502 53.594 53.050 0.070 0.000 0.777 518 N CB -0.912 37.618 38.487 0.071 0.000 0.907 518 N HN 0.550 nan 8.380 nan 0.000 0.543 519 L N 0.101 121.381 121.223 0.095 0.000 2.578 519 L HA 0.015 4.355 4.340 -0.000 0.000 0.279 519 L C 1.658 178.557 176.870 0.048 0.000 1.227 519 L CA 1.215 56.110 54.840 0.091 0.000 0.900 519 L CB 0.087 42.200 42.059 0.090 0.000 1.144 519 L HN 0.645 nan 8.230 nan 0.000 0.496 520 G N 2.627 111.458 108.800 0.052 0.000 2.162 520 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.260 520 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.260 520 G C 0.162 175.090 174.900 0.046 0.000 0.976 520 G CA 0.150 45.274 45.100 0.039 0.000 0.655 520 G HN 0.999 nan 8.290 nan 0.000 0.533 521 A N -0.666 122.195 122.820 0.067 0.000 2.322 521 A HA 0.899 5.219 4.320 -0.000 0.000 0.327 521 A C 0.361 178.034 177.584 0.149 0.000 1.134 521 A CA -0.163 51.927 52.037 0.089 0.000 0.831 521 A CB 1.042 20.075 19.000 0.053 0.000 1.288 521 A HN 0.688 nan 8.150 nan 0.000 0.472 522 R N 1.482 122.088 120.500 0.176 0.000 2.575 522 R HA 0.292 4.632 4.340 -0.000 0.000 0.281 522 R C -1.593 174.871 176.300 0.273 0.000 1.272 522 R CA -0.168 56.037 56.100 0.175 0.000 1.417 522 R CB 0.423 30.788 30.300 0.109 0.000 1.121 522 R HN 0.773 nan 8.270 nan 0.000 0.583 523 W N 3.515 124.824 121.300 0.015 0.000 2.998 523 W HA 0.266 4.926 4.660 -0.000 0.000 0.335 523 W C -1.054 175.459 176.519 -0.009 0.000 1.110 523 W CA -0.651 56.692 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 4.792 120.176 115.700 -0.526 0.000 2.537 524 S HA 0.490 4.960 4.470 -0.000 0.000 0.275 524 S C -0.182 174.148 174.600 -0.451 0.000 1.272 524 S CA -0.696 57.261 58.200 -0.405 0.000 1.050 524 S CB 1.403 64.349 63.200 -0.423 0.000 0.961 524 S HN 0.439 nan 8.310 nan 0.000 0.496 525 L N 2.804 123.953 121.223 -0.123 0.000 2.499 525 L HA 0.065 4.405 4.340 -0.000 0.000 0.273 525 L C 0.945 177.777 176.870 -0.064 0.000 1.195 525 L CA -0.306 54.545 54.840 0.020 0.000 0.882 525 L CB 0.125 42.242 42.059 0.097 0.000 1.133 525 L HN 0.756 nan 8.230 nan 0.000 0.483 526 D N 1.764 122.159 120.400 -0.008 0.000 2.263 526 D HA -0.187 4.453 4.640 -0.000 0.000 0.208 526 D C 1.625 177.902 176.300 -0.039 0.000 0.971 526 D CA 1.423 55.382 54.000 -0.067 0.000 0.867 526 D CB 0.121 40.908 40.800 -0.021 0.000 0.929 526 D HN 0.479 nan 8.370 nan 0.000 0.492 527 Y N -0.170 120.155 120.300 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 58.763 58.100 0.035 0.000 1.178 527 Y CB -0.130 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 -0.608 119.074 119.600 0.136 0.000 2.541 528 M HA -0.048 4.432 4.480 -0.000 0.000 0.252 528 M C 1.053 177.342 176.300 -0.018 0.000 1.125 528 M CA 0.629 55.949 55.300 0.034 0.000 1.091 528 M CB -0.722 31.858 32.600 -0.033 0.000 1.420 528 M HN 0.147 nan 8.290 nan 0.000 0.486 529 D N 1.658 122.035 120.400 -0.038 0.000 2.116 529 D HA -0.155 4.485 4.640 -0.000 0.000 0.193 529 D C 1.097 177.495 176.300 0.164 0.000 0.998 529 D CA 1.230 55.185 54.000 -0.074 0.000 0.836 529 D CB -0.242 40.440 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 0.229 0.000 2.314 530 N HA 0.032 4.772 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 0.015 53.269 53.050 0.338 0.000 0.835 530 N CB 0.951 39.580 38.487 0.236 0.000 0.989 530 N HN 0.012 nan 8.380 nan 0.000 0.478 531 V N 1.685 121.707 119.914 0.180 0.000 2.407 531 V HA 0.117 4.237 4.120 -0.000 0.000 0.278 531 V C 0.587 176.528 176.094 -0.255 0.000 1.037 531 V CA -1.151 61.178 62.300 0.048 0.000 0.900 531 V CB 1.336 33.171 31.823 0.021 0.000 0.983 531 V HN 0.179 nan 8.190 nan 0.000 0.459 532 N N 7.756 126.190 118.700 -0.443 0.000 2.386 532 N HA 0.024 4.764 4.740 -0.000 0.000 0.273 532 N C -1.441 173.764 175.510 -0.507 0.000 1.331 532 N CA -1.197 51.287 53.050 -0.945 0.000 0.891 532 N CB 1.418 39.691 38.487 -0.357 0.000 1.139 532 N HN 0.338 nan 8.380 nan 0.000 0.487 533 P HA -0.031 nan 4.420 nan 0.000 0.225 533 P C 0.849 177.796 177.300 -0.589 0.000 1.156 533 P CA 0.978 63.636 63.100 -0.738 0.000 0.787 533 P CB 0.003 30.964 31.700 -1.231 0.000 0.802 534 F N -0.198 119.724 119.950 -0.046 0.000 2.367 534 F HA 0.023 4.550 4.527 -0.000 0.000 0.298 534 F C 1.104 176.951 175.800 0.079 0.000 1.094 534 F CA 0.401 58.445 58.000 0.073 0.000 1.409 534 F CB -1.147 37.916 39.000 0.105 0.000 1.064 534 F HN -0.153 nan 8.300 nan 0.000 0.528 535 N N 1.463 120.279 118.700 0.193 0.000 2.671 535 N HA 0.005 4.745 4.740 -0.000 0.000 0.274 535 N C -0.656 174.978 175.510 0.208 0.000 1.188 535 N CA 0.432 53.605 53.050 0.203 0.000 1.065 535 N CB -0.489 38.123 38.487 0.208 0.000 1.415 535 N HN 0.306 nan 8.380 nan 0.000 0.511 536 H N 0.553 119.656 119.070 0.054 0.000 3.064 536 H HA 0.028 4.584 4.556 -0.000 0.000 0.352 536 H C 0.765 176.144 175.328 0.085 0.000 1.260 536 H CA -0.380 55.619 56.048 -0.081 0.000 1.160 536 H CB 1.203 30.708 29.762 -0.428 0.000 1.879 536 H HN 0.506 nan 8.280 nan 0.000 0.544 537 H N 2.347 121.460 119.070 0.073 0.000 2.546 537 H HA 0.069 4.625 4.556 -0.000 0.000 0.277 537 H C 0.504 176.021 175.328 0.316 0.000 1.004 537 H CA 0.456 56.690 56.048 0.310 0.000 1.231 537 H CB 0.271 30.199 29.762 0.278 0.000 1.382 537 H HN 0.348 nan 8.280 nan 0.000 0.580 538 R N 0.936 121.464 120.500 0.046 0.000 2.388 538 R HA 0.033 4.373 4.340 -0.000 0.000 0.247 538 R C 0.118 176.425 176.300 0.010 0.000 0.931 538 R CA -0.244 55.843 56.100 -0.023 0.000 1.082 538 R CB 0.121 30.329 30.300 -0.154 0.000 1.135 538 R HN 0.111 nan 8.270 nan 0.000 0.525 539 N N 1.206 119.943 118.700 0.062 0.000 2.415 539 N HA 0.050 4.790 4.740 -0.000 0.000 0.250 539 N C 0.700 176.231 175.510 0.035 0.000 1.127 539 N CA -0.013 53.083 53.050 0.076 0.000 0.945 539 N CB 1.266 39.838 38.487 0.143 0.000 1.196 539 N HN 0.105 nan 8.380 nan 0.000 0.499 540 A N 3.721 126.573 122.820 0.053 0.000 1.917 540 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 540 A C 1.981 179.609 177.584 0.073 0.000 1.182 540 A CA 1.946 54.035 52.037 0.086 0.000 0.633 540 A CB -1.143 17.942 19.000 0.142 0.000 0.819 540 A HN 0.667 nan 8.150 nan 0.000 0.448 541 G N -0.124 108.694 108.800 0.029 0.000 2.459 541 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.217 541 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.217 541 G C 1.513 176.360 174.900 -0.089 0.000 1.183 541 G CA 1.303 46.319 45.100 -0.141 0.000 0.776 541 G HN 0.654 nan 8.290 nan 0.000 0.552 542 L N 0.484 121.693 121.223 -0.024 0.000 2.056 542 L HA 0.131 4.471 4.340 -0.000 0.000 0.207 542 L C 2.668 179.492 176.870 -0.077 0.000 1.078 542 L CA 2.165 56.998 54.840 -0.012 0.000 0.749 542 L CB -0.618 41.472 42.059 0.051 0.000 0.901 542 L HN 0.231 nan 8.230 nan 0.000 0.433 543 R N -1.669 118.719 120.500 -0.187 0.000 2.083 543 R HA -0.274 4.066 4.340 -0.000 0.000 0.237 543 R C 2.433 178.641 176.300 -0.154 0.000 1.137 543 R CA 2.168 58.005 56.100 -0.439 0.000 0.951 543 R CB -0.716 29.308 30.300 -0.460 0.000 0.851 543 R HN 0.581 nan 8.270 nan 0.000 0.434 544 Y N 0.754 120.964 120.300 -0.149 0.000 2.181 544 Y HA -0.171 4.379 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 1.733 59.782 58.100 -0.085 0.000 1.164 544 Y CB -0.008 38.386 38.460 -0.111 0.000 0.982 544 Y HN -0.019 nan 8.280 nan 0.000 0.515 545 R N -0.577 119.888 120.500 -0.059 0.000 2.115 545 R HA -0.133 4.207 4.340 -0.000 0.000 0.230 545 R C 2.756 179.012 176.300 -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 29.799 30.300 -0.041 0.000 0.870 545 R HN 0.302 nan 8.270 nan 0.000 0.445 546 S N 0.297 115.988 115.700 -0.014 0.000 2.368 546 S HA -0.113 4.357 4.470 -0.000 0.000 0.224 546 S C 1.879 176.530 174.600 0.085 0.000 1.029 546 S CA 1.108 59.363 58.200 0.091 0.000 0.988 546 S CB 0.027 63.416 63.200 0.315 0.000 0.838 546 S HN 0.207 nan 8.310 nan 0.000 0.462 547 M N 0.437 120.054 119.600 0.027 0.000 2.319 547 M HA 0.018 4.498 4.480 -0.000 0.000 0.265 547 M C 1.857 178.110 176.300 -0.079 0.000 1.068 547 M CA 0.600 55.911 55.300 0.017 0.000 1.118 547 M CB -0.291 32.320 32.600 0.019 0.000 1.395 547 M HN 0.288 nan 8.290 nan 0.000 0.435 548 L N 0.500 121.597 121.223 -0.210 0.000 2.127 548 L HA -0.153 4.187 4.340 -0.000 0.000 0.211 548 L C 2.016 178.856 176.870 -0.049 0.000 1.089 548 L CA 1.837 56.548 54.840 -0.216 0.000 0.757 548 L CB -0.641 41.245 42.059 -0.289 0.000 0.899 548 L HN 0.314 nan 8.230 nan 0.000 0.434 549 L N -2.040 119.180 121.223 -0.004 0.000 2.209 549 L HA 0.258 4.598 4.340 -0.000 0.000 0.207 549 L C 1.145 178.042 176.870 0.045 0.000 1.094 549 L CA 0.503 55.370 54.840 0.045 0.000 0.790 549 L CB -0.387 41.678 42.059 0.011 0.000 0.932 549 L HN 0.443 nan 8.230 nan 0.000 0.447 550 G N 0.098 108.929 108.800 0.051 0.000 2.334 550 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.315 550 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.315 550 G C -0.479 174.520 174.900 0.166 0.000 1.284 550 G CA -0.056 45.096 45.100 0.086 0.000 0.985 550 G HN 0.114 nan 8.290 nan 0.000 0.504 551 N N 0.072 118.885 118.700 0.187 0.000 2.203 551 N HA 0.341 5.081 4.740 -0.000 0.000 0.207 551 N C 0.733 176.448 175.510 0.343 0.000 1.130 551 N CA 0.791 54.008 53.050 0.279 0.000 0.861 551 N CB 1.011 39.596 38.487 0.163 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 0.400 175.320 174.900 0.033 0.000 1.170 552 G CA -0.733 44.479 45.100 0.186 0.000 0.943 552 G HN 0.027 nan 8.290 nan 0.000 0.483 553 R N -0.297 120.167 120.500 -0.059 0.000 2.080 553 R HA -0.087 4.253 4.340 -0.000 0.000 0.236 553 R C -0.086 175.965 176.300 -0.414 0.000 1.137 553 R CA 1.110 57.006 56.100 -0.341 0.000 0.943 553 R CB -0.293 29.634 30.300 -0.623 0.000 0.846 553 R HN 0.521 nan 8.270 nan 0.000 0.431 554 Y N 0.199 120.492 120.300 -0.013 0.000 2.365 554 Y HA 0.297 4.847 4.550 -0.000 0.000 0.340 554 Y C -0.387 175.515 175.900 0.003 0.000 1.016 554 Y CA -0.648 57.447 58.100 -0.010 0.000 1.196 554 Y CB 1.392 39.857 38.460 0.009 0.000 1.167 554 Y HN -0.235 nan 8.280 nan 0.000 0.509 555 V N 5.737 125.749 119.914 0.165 0.000 2.569 555 V HA 0.416 4.536 4.120 -0.000 0.000 0.301 555 V C -2.592 173.627 176.094 0.209 0.000 1.044 555 V CA -2.167 60.225 62.300 0.153 0.000 0.874 555 V CB 2.194 34.081 31.823 0.105 0.000 1.002 555 V HN 0.508 nan 8.190 nan 0.000 0.424 556 P HA 0.480 nan 4.420 nan 0.000 0.293 556 P C -1.039 176.350 177.300 0.149 0.000 1.300 556 P CA -0.196 62.944 63.100 0.066 0.000 0.792 556 P CB 0.642 32.349 31.700 0.011 0.000 0.925 557 F N 0.125 120.147 119.950 0.121 0.000 2.556 557 F HA 0.672 5.199 4.527 -0.000 0.000 0.327 557 F C -0.571 175.330 175.800 0.168 0.000 1.059 557 F CA -1.122 56.979 58.000 0.168 0.000 0.953 557 F CB 1.740 40.907 39.000 0.278 0.000 1.227 557 F HN 0.358 nan 8.300 nan 0.000 0.478 558 H N 3.884 123.097 119.070 0.239 0.000 3.108 558 H HA 0.623 5.179 4.556 -0.000 0.000 0.329 558 H C -1.360 174.028 175.328 0.100 0.000 0.978 558 H CA -0.884 55.226 56.048 0.103 0.000 1.413 558 H CB 1.473 31.253 29.762 0.032 0.000 1.670 558 H HN 0.875 nan 8.280 nan 0.000 0.512 559 I N 0.967 121.646 120.570 0.182 0.000 3.145 559 I HA 0.527 4.697 4.170 -0.000 0.000 0.313 559 I C -1.574 174.464 176.117 -0.132 0.000 1.122 559 I CA -1.264 59.976 61.300 -0.100 0.000 0.987 559 I CB 2.719 40.489 38.000 -0.384 0.000 1.236 559 I HN 0.398 nan 8.210 nan 0.000 0.453 560 Q N 2.450 122.145 119.800 -0.175 0.000 2.327 560 Q HA 0.608 4.948 4.340 -0.000 0.000 0.270 560 Q C -1.246 174.861 176.000 0.179 0.000 1.022 560 Q CA -0.521 55.267 55.803 -0.025 0.000 0.773 560 Q CB 2.526 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 4.240 124.298 119.914 0.239 0.000 2.435 561 V HA 0.620 4.740 4.120 -0.000 0.000 0.290 561 V C -2.219 174.023 176.094 0.247 0.000 1.030 561 V CA -1.965 60.474 62.300 0.232 0.000 0.881 561 V CB 1.472 33.348 31.823 0.090 0.000 0.983 561 V HN 0.670 nan 8.190 nan 0.000 0.445 562 P HA 0.347 nan 4.420 nan 0.000 0.284 562 P C -1.260 175.890 177.300 -0.251 0.000 1.258 562 P CA -0.790 62.082 63.100 -0.379 0.000 0.824 562 P CB 1.080 32.251 31.700 -0.882 0.000 1.038 563 Q N 1.345 120.977 119.800 -0.280 0.000 2.294 563 Q HA 0.180 4.520 4.340 -0.000 0.000 0.257 563 Q C 0.275 176.128 176.000 -0.244 0.000 0.955 563 Q CA 0.602 56.273 55.803 -0.220 0.000 0.936 563 Q CB 0.752 29.362 28.738 -0.214 0.000 1.188 563 Q HN 0.270 nan 8.270 nan 0.000 0.420 564 K N 3.332 123.629 120.400 -0.171 0.000 2.370 564 K HA 0.152 4.472 4.320 -0.000 0.000 0.194 564 K C -0.221 176.276 176.600 -0.172 0.000 1.070 564 K CA -0.259 55.798 56.287 -0.382 0.000 0.998 564 K CB 0.292 32.372 32.500 -0.699 0.000 0.911 564 K HN 0.494 nan 8.250 nan 0.000 0.533 565 F N 2.809 122.652 119.950 -0.179 0.000 2.580 565 F HA -0.149 4.378 4.527 -0.000 0.000 0.398 565 F C 1.081 176.872 175.800 -0.016 0.000 1.023 565 F CA -0.865 57.132 58.000 -0.004 0.000 1.188 565 F CB 0.192 39.349 39.000 0.260 0.000 1.005 565 F HN 0.070 nan 8.300 nan 0.000 0.546 566 F N 4.375 123.939 119.950 -0.644 0.000 2.161 566 F HA -0.081 4.446 4.527 -0.000 0.000 0.300 566 F C 1.738 177.252 175.800 -0.477 0.000 1.089 566 F CA 1.326 59.049 58.000 -0.461 0.000 1.282 566 F CB -1.190 37.624 39.000 -0.310 0.000 1.010 566 F HN 0.381 nan 8.300 nan 0.000 0.485 567 A N 1.050 122.918 122.820 -1.588 0.000 2.119 567 A HA 0.081 4.401 4.320 -0.000 0.000 0.217 567 A C 2.058 179.324 177.584 -0.529 0.000 1.153 567 A CA 1.518 52.979 52.037 -0.960 0.000 0.692 567 A CB -1.132 17.438 19.000 -0.717 0.000 0.799 567 A HN 0.759 nan 8.150 nan 0.000 0.458 568 I N -4.047 116.308 120.570 -0.359 0.000 4.456 568 I HA 0.156 4.326 4.170 -0.000 0.000 0.329 568 I C 1.722 177.639 176.117 -0.333 0.000 1.313 568 I CA 0.506 61.640 61.300 -0.276 0.000 1.205 568 I CB -0.033 37.941 38.000 -0.044 0.000 1.179 568 I HN 0.155 nan 8.210 nan 0.000 0.419 569 K N 2.198 122.415 120.400 -0.306 0.000 2.113 569 K HA -0.140 4.180 4.320 -0.000 0.000 0.208 569 K C 0.630 177.076 176.600 -0.257 0.000 1.047 569 K CA 2.511 58.653 56.287 -0.241 0.000 0.928 569 K CB -0.693 31.715 32.500 -0.153 0.000 0.716 569 K HN 0.503 nan 8.250 nan 0.000 0.446 570 N N 0.227 118.689 118.700 -0.396 0.000 2.177 570 N HA 0.143 4.883 4.740 -0.000 0.000 0.218 570 N C -0.835 174.534 175.510 -0.235 0.000 1.182 570 N CA -0.513 52.388 53.050 -0.249 0.000 0.882 570 N CB 0.610 39.049 38.487 -0.079 0.000 1.052 570 N HN 0.035 nan 8.380 nan 0.000 0.519 571 L N 1.507 122.485 121.223 -0.408 0.000 2.490 571 L HA 0.204 4.544 4.340 -0.000 0.000 0.274 571 L C -0.428 176.389 176.870 -0.088 0.000 1.201 571 L CA -0.164 54.562 54.840 -0.189 0.000 0.869 571 L CB 0.474 42.379 42.059 -0.257 0.000 1.123 571 L HN 0.070 nan 8.230 nan 0.000 0.484 572 L N 5.802 127.032 121.223 0.011 0.000 2.259 572 L HA 0.389 4.729 4.340 -0.000 0.000 0.288 572 L C -0.822 176.017 176.870 -0.051 0.000 1.051 572 L CA -0.184 54.642 54.840 -0.023 0.000 0.824 572 L CB 0.794 42.863 42.059 0.015 0.000 1.206 572 L HN 0.615 nan 8.230 nan 0.000 0.429 573 L N 5.765 126.918 121.223 -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 -0.030 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 5.846 127.091 121.223 0.036 0.000 2.479 574 L HA 0.444 4.784 4.340 -0.000 0.000 0.249 574 L C -1.891 175.115 176.870 0.227 0.000 1.178 574 L CA -2.090 52.818 54.840 0.113 0.000 0.811 574 L CB 0.039 42.149 42.059 0.085 0.000 1.187 574 L HN 0.465 nan 8.230 nan 0.000 0.480 575 P HA 0.236 nan 4.420 nan 0.000 0.269 575 P C -0.158 177.232 177.300 0.150 0.000 1.209 575 P CA 0.234 63.437 63.100 0.171 0.000 0.776 575 P CB 0.709 32.462 31.700 0.088 0.000 0.876 576 G N 0.342 109.184 108.800 0.069 0.000 2.368 576 G HA2 0.222 4.182 3.960 -0.000 0.000 0.302 576 G HA3 0.222 4.182 3.960 -0.000 0.000 0.302 576 G C -1.479 173.190 174.900 -0.385 0.000 1.329 576 G CA -0.612 44.362 45.100 -0.210 0.000 0.935 576 G HN 0.376 nan 8.290 nan 0.000 0.590 577 S N -0.190 115.184 115.700 -0.543 0.000 2.451 577 S HA 0.805 5.275 4.470 -0.000 0.000 0.301 577 S C -1.232 173.016 174.600 -0.586 0.000 1.116 577 S CA -0.340 57.641 58.200 -0.366 0.000 1.093 577 S CB 0.678 63.794 63.200 -0.141 0.000 1.017 577 S HN 0.485 nan 8.310 nan 0.000 0.482 578 Y N 0.325 120.633 120.300 0.014 0.000 2.536 578 Y HA 0.432 4.982 4.550 -0.000 0.000 0.347 578 Y C 0.562 176.503 175.900 0.068 0.000 1.000 578 Y CA -1.088 57.030 58.100 0.031 0.000 1.051 578 Y CB 1.254 39.716 38.460 0.003 0.000 1.259 578 Y HN 0.320 nan 8.280 nan 0.000 0.468 579 T N 2.715 117.427 114.554 0.264 0.000 2.738 579 T HA 0.193 4.543 4.350 -0.000 0.000 0.298 579 T C -1.593 173.323 174.700 0.359 0.000 0.962 579 T CA -0.225 62.021 62.100 0.243 0.000 0.972 579 T CB -0.404 68.558 68.868 0.157 0.000 0.928 579 T HN 0.392 nan 8.240 nan 0.000 0.474 580 Y N 3.599 124.040 120.300 0.235 0.000 2.328 580 Y HA 0.514 5.064 4.550 0.000 0.000 0.333 580 Y C -0.193 175.963 175.900 0.428 0.000 0.958 580 Y CA -1.752 56.535 58.100 0.311 0.000 1.167 580 Y CB 0.873 39.485 38.460 0.253 0.000 1.151 580 Y HN 0.630 nan 8.280 nan 0.000 0.470 581 E N 6.101 126.466 120.200 0.275 0.000 2.314 581 E HA 0.334 4.684 4.350 -0.000 0.000 0.272 581 E C -1.923 174.731 176.600 0.089 0.000 0.884 581 E CA -0.542 55.940 56.400 0.137 0.000 0.753 581 E CB 1.670 31.396 29.700 0.043 0.000 1.213 581 E HN 0.695 nan 8.360 nan 0.000 0.432 582 W N 2.585 123.752 121.300 -0.223 0.000 3.118 582 W HA 0.382 5.042 4.660 -0.000 0.000 0.328 582 W C -1.146 175.122 176.519 -0.419 0.000 1.239 582 W CA -0.634 56.465 57.345 -0.409 0.000 1.176 582 W CB 2.229 31.285 29.460 -0.672 0.000 1.433 582 W HN 0.529 nan 8.180 nan 0.000 0.562 583 N N 2.165 120.609 118.700 -0.427 0.000 2.399 583 N HA 0.484 5.224 4.740 -0.000 0.000 0.295 583 N C -1.540 173.850 175.510 -0.199 0.000 1.048 583 N CA -0.252 52.689 53.050 -0.181 0.000 0.886 583 N CB 1.685 40.032 38.487 -0.233 0.000 1.185 583 N HN 0.036 nan 8.380 nan 0.000 0.487 584 F N 0.636 120.750 119.950 0.273 0.000 2.520 584 F HA 0.459 4.986 4.527 -0.000 0.000 0.322 584 F C 1.027 177.031 175.800 0.339 0.000 1.103 584 F CA -0.878 57.230 58.000 0.181 0.000 0.926 584 F CB 1.338 40.254 39.000 -0.141 0.000 1.154 584 F HN 0.086 nan 8.300 nan 0.000 0.453 585 R N 1.454 122.133 120.500 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 0.473 0.000 1.078 585 R CA -0.205 56.047 56.100 0.255 0.000 1.127 585 R CB 0.858 31.124 30.300 -0.057 0.000 1.038 585 R HN 0.713 nan 8.270 nan 0.000 0.500 586 K N 0.303 120.960 120.400 0.428 0.000 2.450 586 K HA 0.012 4.332 4.320 -0.000 0.000 0.206 586 K C -0.474 176.275 176.600 0.248 0.000 1.148 586 K CA -0.081 56.410 56.287 0.340 0.000 1.014 586 K CB 0.603 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 1.996 122.575 120.400 0.298 0.000 2.389 587 D HA -0.053 4.587 4.640 -0.000 0.000 0.263 587 D C 1.387 177.791 176.300 0.173 0.000 1.255 587 D CA -0.035 54.131 54.000 0.276 0.000 0.914 587 D CB 1.192 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 2.491 122.477 119.914 0.120 0.000 2.469 588 V HA -0.239 3.881 4.120 -0.000 0.000 0.251 588 V C 1.694 177.815 176.094 0.045 0.000 1.064 588 V CA 1.431 63.758 62.300 0.046 0.000 1.066 588 V CB -0.622 31.197 31.823 -0.007 0.000 0.667 588 V HN 0.388 nan 8.190 nan 0.000 0.461 589 N N -0.243 118.504 118.700 0.080 0.000 2.453 589 N HA 0.017 4.757 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 1.541 54.636 53.050 0.074 0.000 0.900 589 N CB -0.150 38.356 38.487 0.032 0.000 0.961 589 N HN 0.489 nan 8.380 nan 0.000 0.443 590 M N -0.764 118.949 119.600 0.188 0.000 2.557 590 M HA 0.096 4.576 4.480 -0.000 0.000 0.262 590 M C 2.092 178.484 176.300 0.153 0.000 1.168 590 M CA 0.616 56.023 55.300 0.178 0.000 1.194 590 M CB -0.837 31.829 32.600 0.109 0.000 1.311 590 M HN 0.018 nan 8.290 nan 0.000 0.489 591 V N -0.714 119.293 119.914 0.155 0.000 2.871 591 V HA 0.132 4.252 4.120 -0.000 0.000 0.256 591 V C 0.958 177.140 176.094 0.147 0.000 1.082 591 V CA 0.550 62.978 62.300 0.213 0.000 1.105 591 V CB -0.354 31.644 31.823 0.292 0.000 0.713 591 V HN 0.204 nan 8.190 nan 0.000 0.473 592 L N 0.911 122.144 121.223 0.018 0.000 2.322 592 L HA 0.639 4.979 4.340 -0.000 0.000 0.269 592 L C -0.387 176.458 176.870 -0.041 0.000 1.012 592 L CA -0.464 54.320 54.840 -0.093 0.000 0.815 592 L CB 1.745 43.683 42.059 -0.202 0.000 1.295 592 L HN 0.277 nan 8.230 nan 0.000 0.438 593 Q N 1.117 120.883 119.800 -0.056 0.000 2.331 593 Q HA 0.557 4.897 4.340 -0.000 0.000 0.272 593 Q C -1.531 174.455 176.000 -0.025 0.000 1.062 593 Q CA -0.559 55.225 55.803 -0.033 0.000 0.806 593 Q CB 2.519 31.266 28.738 0.015 0.000 1.312 593 Q HN 0.775 nan 8.270 nan 0.000 0.431 594 S N 0.794 116.473 115.700 -0.035 0.000 2.600 594 S HA 0.410 4.880 4.470 -0.000 0.000 0.300 594 S C 0.563 175.202 174.600 0.065 0.000 1.087 594 S CA -0.075 58.137 58.200 0.020 0.000 0.965 594 S CB 1.683 64.872 63.200 -0.019 0.000 1.089 594 S HN 0.733 nan 8.310 nan 0.000 0.496 595 S N 0.855 116.643 115.700 0.147 0.000 2.436 595 S HA 0.004 4.474 4.470 -0.000 0.000 0.228 595 S C 1.377 176.083 174.600 0.176 0.000 1.014 595 S CA 0.274 58.593 58.200 0.199 0.000 0.950 595 S CB -0.547 62.840 63.200 0.312 0.000 0.784 595 S HN 0.490 nan 8.310 nan 0.000 0.504 596 L N 1.563 122.855 121.223 0.116 0.000 2.375 596 L HA 0.371 4.711 4.340 -0.000 0.000 0.215 596 L C 1.954 178.853 176.870 0.049 0.000 1.108 596 L CA 1.144 56.034 54.840 0.084 0.000 0.830 596 L CB -1.476 40.622 42.059 0.066 0.000 0.959 596 L HN 0.598 nan 8.230 nan 0.000 0.457 597 G N 0.356 109.139 108.800 -0.029 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 0.498 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 0.333 118.999 118.700 -0.056 0.000 2.260 598 N HA 0.223 4.963 4.740 -0.000 0.000 0.230 598 N C -0.389 175.080 175.510 -0.069 0.000 1.323 598 N CA 0.073 53.113 53.050 -0.018 0.000 0.897 598 N CB 0.547 39.069 38.487 0.058 0.000 1.146 598 N HN 0.116 nan 8.380 nan 0.000 0.460 599 D N 0.281 120.657 120.400 -0.039 0.000 2.402 599 D HA 0.117 4.757 4.640 -0.000 0.000 0.235 599 D C 1.113 177.389 176.300 -0.041 0.000 1.226 599 D CA -0.300 53.667 54.000 -0.055 0.000 0.918 599 D CB -0.093 40.687 40.800 -0.034 0.000 1.043 599 D HN 0.478 nan 8.370 nan 0.000 0.506 600 L N 3.572 124.759 121.223 -0.060 0.000 2.265 600 L HA -0.150 4.190 4.340 -0.000 0.000 0.215 600 L C 2.424 179.283 176.870 -0.018 0.000 1.117 600 L CA 0.685 55.497 54.840 -0.047 0.000 0.782 600 L CB -0.230 41.790 42.059 -0.065 0.000 0.914 600 L HN 0.344 nan 8.230 nan 0.000 0.441 601 R N -0.488 120.012 120.500 0.001 0.000 2.066 601 R HA -0.080 4.260 4.340 -0.000 0.000 0.232 601 R C 2.198 178.512 176.300 0.023 0.000 1.131 601 R CA 1.103 57.222 56.100 0.031 0.000 0.955 601 R CB -0.845 29.494 30.300 0.067 0.000 0.851 601 R HN 0.180 nan 8.270 nan 0.000 0.432 602 V N 2.238 122.161 119.914 0.015 0.000 2.453 602 V HA -0.143 3.977 4.120 -0.000 0.000 0.247 602 V C 0.941 177.040 176.094 0.009 0.000 1.048 602 V CA 1.681 63.990 62.300 0.015 0.000 1.049 602 V CB -0.370 31.460 31.823 0.012 0.000 0.672 602 V HN 0.197 nan 8.190 nan 0.000 0.457 603 D N 0.256 120.656 120.400 -0.000 0.000 2.332 603 D HA 0.163 4.803 4.640 -0.000 0.000 0.244 603 D C 1.691 177.975 176.300 -0.027 0.000 1.136 603 D CA 0.947 54.941 54.000 -0.011 0.000 0.884 603 D CB -0.104 40.690 40.800 -0.010 0.000 0.906 603 D HN 0.492 nan 8.370 nan 0.000 0.520 604 G N 0.280 109.072 108.800 -0.014 0.000 2.155 604 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.257 604 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.257 604 G C 0.605 175.490 174.900 -0.025 0.000 0.983 604 G CA 0.275 45.367 45.100 -0.013 0.000 0.676 604 G HN 0.621 nan 8.290 nan 0.000 0.528 605 A N -0.530 122.266 122.820 -0.041 0.000 2.407 605 A HA 0.764 5.084 4.320 -0.000 0.000 0.248 605 A C 0.639 178.199 177.584 -0.039 0.000 1.082 605 A CA 1.087 53.086 52.037 -0.063 0.000 0.785 605 A CB 0.958 19.902 19.000 -0.092 0.000 1.020 605 A HN 1.476 nan 8.150 nan 0.000 0.489 606 S N 0.459 116.133 115.700 -0.043 0.000 2.564 606 S HA 0.744 5.214 4.470 -0.000 0.000 0.274 606 S C -1.174 173.403 174.600 -0.038 0.000 1.124 606 S CA -0.481 57.706 58.200 -0.022 0.000 0.869 606 S CB 0.938 64.143 63.200 0.008 0.000 1.105 606 S HN 0.889 nan 8.310 nan 0.000 0.472 607 I N 3.325 123.864 120.570 -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 -0.505 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 6.689 127.004 120.400 -0.141 0.000 2.443 608 K HA 0.469 4.789 4.320 -0.000 0.000 0.252 608 K C -2.110 174.370 176.600 -0.200 0.000 0.933 608 K CA -0.492 55.690 56.287 -0.175 0.000 0.792 608 K CB 1.440 33.908 32.500 -0.053 0.000 1.185 608 K HN 0.326 nan 8.250 nan 0.000 0.425 609 F N 3.323 123.294 119.950 0.035 0.000 2.404 609 F HA 0.217 4.744 4.527 0.000 0.000 0.358 609 F C 0.858 176.577 175.800 -0.136 0.000 1.120 609 F CA -0.609 57.307 58.000 -0.141 0.000 1.144 609 F CB 1.302 40.023 39.000 -0.465 0.000 1.133 609 F HN 0.662 nan 8.300 nan 0.000 0.495 610 D N 0.583 120.985 120.400 0.004 0.000 2.262 610 D HA 0.014 4.654 4.640 -0.000 0.000 0.212 610 D C 0.495 176.784 176.300 -0.017 0.000 0.964 610 D CA 0.978 54.966 54.000 -0.019 0.000 0.875 610 D CB 0.428 41.177 40.800 -0.086 0.000 0.996 610 D HN 0.426 nan 8.370 nan 0.000 0.497 611 S N -0.422 115.231 115.700 -0.078 0.000 2.542 611 S HA 0.539 5.009 4.470 -0.000 0.000 0.276 611 S C -1.244 173.291 174.600 -0.107 0.000 1.148 611 S CA -1.009 57.156 58.200 -0.059 0.000 0.886 611 S CB 1.668 64.849 63.200 -0.033 0.000 1.109 611 S HN 0.087 nan 8.310 nan 0.000 0.458 612 I N 2.242 122.777 120.570 -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 0.241 0.000 1.048 612 I CA -0.257 61.027 61.300 -0.027 0.000 1.062 612 I CB 1.072 38.904 38.000 -0.280 0.000 1.238 612 I HN 0.974 nan 8.210 nan 0.000 0.426 613 C N 5.922 125.380 119.300 0.264 0.000 2.630 613 C HA 0.722 5.182 4.460 -0.000 0.000 0.346 613 C C -0.681 174.383 174.990 0.123 0.000 1.245 613 C CA -0.633 58.550 59.018 0.276 0.000 1.804 613 C CB 1.727 29.566 27.740 0.165 0.000 2.279 613 C HN 0.689 nan 8.230 nan 0.000 0.498 614 L N 1.838 122.972 121.223 -0.149 0.000 2.349 614 L HA 0.608 4.948 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 -0.033 54.607 54.840 -0.333 0.000 0.825 614 L CB 0.315 41.903 42.059 -0.785 0.000 1.243 614 L HN 0.641 nan 8.230 nan 0.000 0.412 615 Y N 3.612 123.675 120.300 -0.394 0.000 2.420 615 Y HA 0.834 5.384 4.550 -0.000 0.000 0.334 615 Y C 0.208 175.943 175.900 -0.276 0.000 1.094 615 Y CA -0.224 57.640 58.100 -0.393 0.000 1.126 615 Y CB 2.271 40.258 38.460 -0.788 0.000 1.217 615 Y HN 0.778 nan 8.280 nan 0.000 0.462 616 A N 1.515 124.401 122.820 0.110 0.000 2.465 616 A HA 0.676 4.996 4.320 -0.000 0.000 0.292 616 A C -1.105 176.565 177.584 0.144 0.000 1.041 616 A CA -0.706 51.373 52.037 0.070 0.000 0.718 616 A CB 0.915 19.982 19.000 0.112 0.000 1.266 616 A HN 0.589 nan 8.150 nan 0.000 0.403 617 T N 2.065 116.639 114.554 0.032 0.000 2.824 617 T HA 0.706 5.056 4.350 -0.000 0.000 0.280 617 T C -0.984 173.732 174.700 0.026 0.000 0.995 617 T CA 0.107 62.295 62.100 0.148 0.000 1.009 617 T CB 0.339 69.305 68.868 0.163 0.000 0.955 617 T HN 0.334 nan 8.240 nan 0.000 0.452 618 F N 1.637 121.661 119.950 0.123 0.000 2.507 618 F HA 0.494 5.021 4.527 -0.000 0.000 0.325 618 F C -0.115 175.780 175.800 0.159 0.000 1.116 618 F CA -1.834 56.253 58.000 0.144 0.000 0.930 618 F CB 1.029 40.106 39.000 0.128 0.000 1.146 618 F HN 0.522 nan 8.300 nan 0.000 0.447 619 F N 6.145 126.229 119.950 0.224 0.000 2.543 619 F HA 0.291 4.818 4.527 -0.000 0.000 0.375 619 F C -1.663 174.244 175.800 0.179 0.000 1.075 619 F CA -2.123 55.972 58.000 0.158 0.000 1.225 619 F CB 0.740 39.807 39.000 0.111 0.000 1.099 619 F HN 0.215 nan 8.300 nan 0.000 0.561 620 P HA 0.001 nan 4.420 nan 0.000 0.228 620 P C -0.060 177.305 177.300 0.108 0.000 1.748 620 P CA 0.018 63.117 63.100 -0.002 0.000 0.909 620 P CB -0.301 31.329 31.700 -0.117 0.000 1.882 621 M N 1.149 121.002 119.600 0.422 0.000 2.250 621 M HA 0.192 4.672 4.480 -0.000 0.000 0.337 621 M C 0.298 176.799 176.300 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 33.436 32.600 0.466 0.000 1.639 621 M HN 0.151 nan 8.290 nan 0.000 0.447 622 A N 4.275 127.257 122.820 0.270 0.000 2.540 622 A HA 0.010 4.330 4.320 -0.000 0.000 0.239 622 A C 0.650 178.407 177.584 0.287 0.000 1.061 622 A CA 0.191 52.350 52.037 0.204 0.000 0.758 622 A CB -0.247 18.846 19.000 0.155 0.000 0.991 622 A HN 1.103 nan 8.150 nan 0.000 0.502 623 H N 2.001 121.121 119.070 0.082 0.000 2.352 623 H HA -0.184 4.372 4.556 -0.000 0.000 0.299 623 H C 1.889 177.256 175.328 0.064 0.000 1.097 623 H CA 1.421 57.510 56.048 0.069 0.000 1.311 623 H CB 0.156 29.949 29.762 0.052 0.000 1.377 623 H HN 0.911 nan 8.280 nan 0.000 0.504 624 N N 0.855 119.668 118.700 0.190 0.000 2.084 624 N HA -0.126 4.614 4.740 -0.000 0.000 0.190 624 N C 1.704 177.277 175.510 0.105 0.000 1.030 624 N CA 1.754 54.878 53.050 0.122 0.000 0.849 624 N CB -1.053 37.492 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 0.004 4.354 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 2.003 64.162 62.100 0.098 0.000 1.150 625 T CB -0.681 68.253 68.868 0.110 0.000 0.864 625 T HN 0.515 nan 8.240 nan 0.000 0.427 626 A N 1.534 124.421 122.820 0.112 0.000 1.892 626 A HA -0.170 4.150 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 2.516 54.608 52.037 0.090 0.000 0.631 626 A CB -1.241 17.824 19.000 0.108 0.000 0.822 626 A HN 0.525 nan 8.150 nan 0.000 0.447 627 S N -1.230 114.503 115.700 0.056 0.000 2.370 627 S HA -0.167 4.303 4.470 -0.000 0.000 0.226 627 S C 1.997 176.619 174.600 0.037 0.000 1.033 627 S CA 2.344 60.568 58.200 0.039 0.000 1.011 627 S CB -0.802 62.424 63.200 0.043 0.000 0.852 627 S HN 0.561 nan 8.310 nan 0.000 0.457 628 T N 2.323 116.903 114.554 0.043 0.000 2.777 628 T HA 0.024 4.374 4.350 -0.000 0.000 0.266 628 T C 1.691 176.406 174.700 0.026 0.000 1.040 628 T CA 1.361 63.482 62.100 0.035 0.000 1.141 628 T CB -0.515 68.377 68.868 0.039 0.000 0.868 628 T HN 0.402 nan 8.240 nan 0.000 0.444 629 L N 1.331 122.570 121.223 0.027 0.000 2.083 629 L HA -0.013 4.327 4.340 -0.000 0.000 0.209 629 L C 2.388 179.266 176.870 0.014 0.000 1.083 629 L CA 1.857 56.707 54.840 0.016 0.000 0.752 629 L CB -0.490 41.577 42.059 0.013 0.000 0.899 629 L HN 0.275 nan 8.230 nan 0.000 0.433 630 E N -0.276 119.936 120.200 0.020 0.000 2.031 630 E HA -0.271 4.079 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 1.271 57.681 56.400 0.017 0.000 0.800 630 E CB -0.274 29.441 29.700 0.025 0.000 0.752 630 E HN 0.609 nan 8.360 nan 0.000 0.447 631 A N 1.089 123.914 122.820 0.009 0.000 1.903 631 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 631 A C 2.262 179.844 177.584 -0.004 0.000 1.191 631 A CA 2.252 54.291 52.037 0.003 0.000 0.638 631 A CB -0.662 18.345 19.000 0.012 0.000 0.823 631 A HN 0.361 nan 8.150 nan 0.000 0.451 632 M N -0.804 118.796 119.600 0.000 0.000 2.086 632 M HA -0.075 4.405 4.480 -0.000 0.000 0.261 632 M C 1.933 178.228 176.300 -0.009 0.000 1.067 632 M CA 1.354 56.653 55.300 -0.002 0.000 1.116 632 M CB -0.466 32.135 32.600 0.000 0.000 1.348 632 M HN 0.339 nan 8.290 nan 0.000 0.407 633 L N -0.521 120.695 121.223 -0.011 0.000 2.549 633 L HA -0.122 4.218 4.340 -0.000 0.000 0.229 633 L C 2.263 179.109 176.870 -0.039 0.000 1.158 633 L CA 0.569 55.399 54.840 -0.017 0.000 0.842 633 L CB -0.547 41.506 42.059 -0.010 0.000 0.952 633 L HN 0.284 nan 8.230 nan 0.000 0.452 634 R N -0.332 120.137 120.500 -0.051 0.000 2.276 634 R HA 0.068 4.408 4.340 -0.000 0.000 0.196 634 R C 0.098 176.337 176.300 -0.101 0.000 0.961 634 R CA 0.032 56.066 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 0.378 nan 8.270 nan 0.000 0.480 635 N N 1.702 120.385 118.700 -0.028 0.000 2.499 635 N HA -0.022 4.718 4.740 -0.000 0.000 0.281 635 N C 0.222 175.782 175.510 0.083 0.000 1.098 635 N CA 0.090 53.154 53.050 0.025 0.000 0.979 635 N CB 1.279 39.777 38.487 0.017 0.000 1.121 635 N HN 0.117 nan 8.380 nan 0.000 0.466 636 D N -0.444 120.059 120.400 0.170 0.000 2.182 636 D HA -0.212 4.428 4.640 -0.000 0.000 0.201 636 D C 1.622 177.960 176.300 0.062 0.000 0.986 636 D CA 1.479 55.585 54.000 0.175 0.000 0.847 636 D CB -0.296 40.513 40.800 0.014 0.000 0.942 636 D HN 0.603 nan 8.370 nan 0.000 0.467 637 T N -1.217 113.356 114.554 0.031 0.000 2.897 637 T HA -0.155 4.195 4.350 -0.000 0.000 0.271 637 T C 1.080 175.780 174.700 0.001 0.000 1.084 637 T CA 0.930 63.033 62.100 0.006 0.000 1.123 637 T CB -0.409 68.460 68.868 0.000 0.000 0.865 637 T HN 0.003 nan 8.240 nan 0.000 0.496 638 N N 1.848 120.555 118.700 0.011 0.000 2.320 638 N HA 0.200 4.940 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 -0.003 0.000 0.854 638 N CB 0.159 38.643 38.487 -0.006 0.000 1.083 638 N HN 0.480 nan 8.380 nan 0.000 0.504 639 D N 1.313 121.724 120.400 0.017 0.000 2.424 639 D HA 0.059 4.699 4.640 -0.000 0.000 0.244 639 D C 0.660 176.933 176.300 -0.045 0.000 1.134 639 D CA 0.395 54.411 54.000 0.027 0.000 0.881 639 D CB 1.056 41.894 40.800 0.064 0.000 1.191 639 D HN 0.126 nan 8.370 nan 0.000 0.445 640 Q N 0.431 120.198 119.800 -0.055 0.000 2.368 640 Q HA 0.458 4.798 4.340 -0.000 0.000 0.237 640 Q C -0.210 175.607 176.000 -0.305 0.000 0.987 640 Q CA -0.252 55.440 55.803 -0.185 0.000 0.896 640 Q CB 1.038 29.738 28.738 -0.064 0.000 1.241 640 Q HN 0.505 nan 8.270 nan 0.000 0.485 641 S N 0.506 115.789 115.700 -0.695 0.000 2.533 641 S HA 0.772 5.242 4.470 -0.000 0.000 0.271 641 S C -1.376 172.671 174.600 -0.921 0.000 1.143 641 S CA -0.851 57.015 58.200 -0.557 0.000 0.891 641 S CB 0.849 63.906 63.200 -0.237 0.000 1.105 641 S HN 0.415 nan 8.310 nan 0.000 0.468 642 F N 1.409 121.393 119.950 0.057 0.000 2.626 642 F HA 0.648 5.175 4.527 0.000 0.000 0.311 642 F C -0.038 175.913 175.800 0.251 0.000 1.088 642 F CA -0.765 57.317 58.000 0.136 0.000 0.949 642 F CB 2.018 41.101 39.000 0.139 0.000 1.322 642 F HN 0.890 nan 8.300 nan 0.000 0.461 643 N N -0.222 118.702 118.700 0.373 0.000 2.229 643 N HA 0.289 5.029 4.740 -0.000 0.000 0.298 643 N C -2.069 173.302 175.510 -0.232 0.000 1.114 643 N CA -0.632 52.449 53.050 0.051 0.000 0.776 643 N CB 2.571 41.068 38.487 0.016 0.000 1.501 643 N HN 0.651 nan 8.380 nan 0.000 0.474 644 D N 0.360 120.217 120.400 -0.905 0.000 2.389 644 D HA 0.006 4.646 4.640 -0.000 0.000 0.247 644 D C 0.918 177.046 176.300 -0.286 0.000 1.128 644 D CA -0.195 53.352 54.000 -0.755 0.000 0.884 644 D CB 0.619 40.813 40.800 -1.010 0.000 1.194 644 D HN 0.511 nan 8.370 nan 0.000 0.441 645 Y N 3.554 123.737 120.300 -0.195 0.000 2.128 645 Y HA -0.175 4.375 4.550 -0.000 0.000 0.284 645 Y C 1.697 177.499 175.900 -0.164 0.000 1.154 645 Y CA 1.432 59.448 58.100 -0.140 0.000 1.149 645 Y CB -0.195 38.210 38.460 -0.092 0.000 0.976 645 Y HN 0.530 nan 8.280 nan 0.000 0.505 646 L N 0.360 121.535 121.223 -0.079 0.000 2.046 646 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 646 L C 1.271 177.986 176.870 -0.258 0.000 1.077 646 L CA 1.861 56.615 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 0.222 nan 8.230 nan 0.000 0.432 647 S N -0.306 115.228 115.700 -0.277 0.000 3.436 647 S HA 0.012 4.482 4.470 -0.000 0.000 0.393 647 S C -0.014 174.448 174.600 -0.229 0.000 0.914 647 S CA 0.472 58.491 58.200 -0.301 0.000 1.317 647 S CB -1.455 61.497 63.200 -0.414 0.000 0.920 647 S HN 0.949 nan 8.310 nan 0.000 0.564 648 A N 0.512 123.248 122.820 -0.140 0.000 2.608 648 A HA 0.844 5.164 4.320 -0.000 0.000 0.292 648 A C -0.555 177.017 177.584 -0.021 0.000 1.066 648 A CA -0.055 51.931 52.037 -0.084 0.000 0.676 648 A CB 0.886 19.831 19.000 -0.091 0.000 1.277 648 A HN 1.546 nan 8.150 nan 0.000 0.413 649 A N 1.671 124.471 122.820 -0.034 0.000 2.260 649 A HA 0.619 4.939 4.320 -0.000 0.000 0.308 649 A C -0.281 177.360 177.584 0.096 0.000 1.254 649 A CA -0.606 51.409 52.037 -0.037 0.000 0.874 649 A CB -0.052 18.755 19.000 -0.322 0.000 1.153 649 A HN 0.672 nan 8.150 nan 0.000 0.527 650 N N 3.529 122.335 118.700 0.177 0.000 2.426 650 N HA 0.493 5.233 4.740 -0.000 0.000 0.275 650 N C -0.821 174.866 175.510 0.294 0.000 1.019 650 N CA -0.153 53.100 53.050 0.339 0.000 0.941 650 N CB 1.447 40.208 38.487 0.457 0.000 1.123 650 N HN 0.594 nan 8.380 nan 0.000 0.486 651 M N 2.327 122.148 119.600 0.369 0.000 2.530 651 M HA 0.512 4.992 4.480 -0.000 0.000 0.307 651 M C -0.903 175.450 176.300 0.087 0.000 1.161 651 M CA -0.631 54.757 55.300 0.147 0.000 0.903 651 M CB 2.129 34.823 32.600 0.157 0.000 1.711 651 M HN 0.227 nan 8.290 nan 0.000 0.451 652 L N 2.799 123.868 121.223 -0.256 0.000 2.381 652 L HA 0.578 4.918 4.340 -0.000 0.000 0.274 652 L C -1.670 174.946 176.870 -0.424 0.000 0.988 652 L CA -0.684 54.035 54.840 -0.202 0.000 0.824 652 L CB 1.577 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 2.937 123.274 120.300 0.062 0.000 2.376 653 Y HA 0.471 5.021 4.550 -0.000 0.000 0.340 653 Y C -2.262 173.645 175.900 0.011 0.000 0.965 653 Y CA -2.918 55.207 58.100 0.042 0.000 1.078 653 Y CB 1.481 39.973 38.460 0.053 0.000 1.193 653 Y HN 0.367 nan 8.280 nan 0.000 0.452 654 P HA 0.237 nan 4.420 nan 0.000 0.271 654 P C -0.531 176.806 177.300 0.063 0.000 1.216 654 P CA 0.105 63.246 63.100 0.069 0.000 0.776 654 P CB 1.107 32.832 31.700 0.042 0.000 0.881 655 I N 4.287 124.872 120.570 0.026 0.000 2.495 655 I HA 0.252 4.422 4.170 -0.000 0.000 0.277 655 I C -2.243 173.871 176.117 -0.005 0.000 1.045 655 I CA -2.714 58.588 61.300 0.004 0.000 1.135 655 I CB 1.658 39.643 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 0.001 177.296 177.300 -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 2.877 125.693 122.820 -0.008 0.000 2.567 657 A HA -0.027 4.293 4.320 -0.000 0.000 0.240 657 A C 0.933 178.515 177.584 -0.005 0.000 1.053 657 A CA 0.810 52.843 52.037 -0.006 0.000 0.755 657 A CB -1.488 17.510 19.000 -0.004 0.000 0.978 657 A HN 0.779 nan 8.150 nan 0.000 0.507 658 N N -0.888 117.808 118.700 -0.006 0.000 2.972 658 N HA -0.200 4.540 4.740 -0.000 0.000 0.225 658 N C 0.348 175.854 175.510 -0.007 0.000 0.883 658 N CA 0.722 53.770 53.050 -0.003 0.000 1.010 658 N CB -1.669 36.820 38.487 0.004 0.000 1.052 658 N HN 1.264 nan 8.380 nan 0.000 0.598 659 A N -0.025 122.788 122.820 -0.011 0.000 2.466 659 A HA 0.439 4.759 4.320 -0.000 0.000 0.238 659 A C 1.203 178.775 177.584 -0.020 0.000 1.074 659 A CA 1.241 53.272 52.037 -0.011 0.000 0.774 659 A CB 0.523 19.518 19.000 -0.008 0.000 1.015 659 A HN 0.232 nan 8.150 nan 0.000 0.498 660 T N 0.256 114.801 114.554 -0.014 0.000 2.993 660 T HA 0.158 4.508 4.350 -0.000 0.000 0.260 660 T C 0.228 174.921 174.700 -0.011 0.000 0.939 660 T CA 0.057 62.145 62.100 -0.020 0.000 0.886 660 T CB -0.171 68.689 68.868 -0.013 0.000 1.209 660 T HN 0.644 nan 8.240 nan 0.000 0.518 661 N N 1.113 119.813 118.700 -0.000 0.000 2.372 661 N HA 0.530 5.270 4.740 -0.000 0.000 0.291 661 N C -1.397 174.126 175.510 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 -0.116 nan 8.380 nan 0.000 0.486 662 V N 4.631 124.575 119.914 0.051 0.000 2.385 662 V HA 0.479 4.599 4.120 -0.000 0.000 0.277 662 V C -2.405 173.735 176.094 0.076 0.000 1.012 662 V CA -1.380 60.956 62.300 0.060 0.000 0.832 662 V CB 1.290 33.144 31.823 0.051 0.000 1.028 662 V HN 0.593 nan 8.190 nan 0.000 0.436 663 P HA 0.653 nan 4.420 nan 0.000 0.300 663 P C -0.793 176.486 177.300 -0.036 0.000 1.326 663 P CA -0.502 62.598 63.100 0.001 0.000 0.844 663 P CB 1.934 33.633 31.700 -0.001 0.000 0.992 664 I N -1.030 119.501 120.570 -0.065 0.000 2.608 664 I HA 0.740 4.910 4.170 -0.000 0.000 0.295 664 I C -0.870 175.232 176.117 -0.025 0.000 1.049 664 I CA -0.671 60.548 61.300 -0.134 0.000 1.063 664 I CB 2.569 40.324 38.000 -0.408 0.000 1.248 664 I HN 0.043 nan 8.210 nan 0.000 0.424 665 S N 6.295 122.014 115.700 0.032 0.000 2.521 665 S HA 0.703 5.173 4.470 -0.000 0.000 0.295 665 S C -0.666 174.011 174.600 0.128 0.000 1.098 665 S CA -0.675 57.568 58.200 0.073 0.000 0.999 665 S CB 1.376 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 5.333 125.990 120.570 0.144 0.000 2.411 666 I HA 0.343 4.513 4.170 -0.000 0.000 0.284 666 I C -2.388 173.808 176.117 0.132 0.000 1.012 666 I CA -2.490 58.907 61.300 0.160 0.000 1.119 666 I CB 1.481 39.627 38.000 0.244 0.000 1.261 666 I HN 0.356 nan 8.210 nan 0.000 0.448 667 P HA -0.027 nan 4.420 nan 0.000 0.266 667 P C 0.263 177.602 177.300 0.064 0.000 1.195 667 P CA 0.074 63.209 63.100 0.058 0.000 0.768 667 P CB 0.503 32.216 31.700 0.021 0.000 0.838 668 S N 3.218 118.975 115.700 0.094 0.000 2.810 668 S HA -0.019 4.451 4.470 -0.000 0.000 0.329 668 S C 0.359 174.982 174.600 0.037 0.000 1.231 668 S CA 0.284 58.561 58.200 0.128 0.000 1.042 668 S CB -0.407 62.846 63.200 0.087 0.000 0.756 668 S HN 0.738 nan 8.310 nan 0.000 0.504 669 R N 3.205 123.737 120.500 0.053 0.000 2.829 669 R HA 0.434 4.774 4.340 -0.000 0.000 0.267 669 R C -1.096 175.078 176.300 -0.211 0.000 1.051 669 R CA -1.118 54.859 56.100 -0.204 0.000 0.927 669 R CB 0.377 30.351 30.300 -0.545 0.000 1.292 669 R HN 0.579 nan 8.270 nan 0.000 0.445 670 N N -0.134 118.346 118.700 -0.366 0.000 2.499 670 N HA 0.111 4.851 4.740 -0.000 0.000 0.281 670 N C -0.787 174.446 175.510 -0.461 0.000 1.098 670 N CA -0.233 52.690 53.050 -0.211 0.000 0.979 670 N CB 0.650 39.067 38.487 -0.118 0.000 1.121 670 N HN 0.595 nan 8.380 nan 0.000 0.466 671 W N 1.860 123.197 121.300 0.061 0.000 2.870 671 W HA 0.416 5.076 4.660 -0.000 0.000 0.358 671 W C 0.745 177.337 176.519 0.121 0.000 1.043 671 W CA -0.388 56.967 57.345 0.016 0.000 1.692 671 W CB -0.028 29.395 29.460 -0.061 0.000 1.100 671 W HN 0.510 nan 8.180 nan 0.000 0.557 672 A N 1.083 124.073 122.820 0.283 0.000 2.546 672 A HA 0.388 4.708 4.320 -0.000 0.000 0.243 672 A C 1.505 179.233 177.584 0.239 0.000 1.063 672 A CA 1.247 53.435 52.037 0.252 0.000 0.757 672 A CB -0.101 18.997 19.000 0.164 0.000 0.991 672 A HN 1.164 nan 8.150 nan 0.000 0.503 673 A N 1.541 124.515 122.820 0.257 0.000 3.384 673 A HA -0.182 4.138 4.320 -0.000 0.000 0.260 673 A C 0.382 178.206 177.584 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 16.494 19.000 0.167 0.000 1.122 673 A HN 2.015 nan 8.150 nan 0.000 0.934 674 F N 1.883 121.949 119.950 0.194 0.000 2.623 674 F HA 0.326 4.853 4.527 -0.000 0.000 0.383 674 F C 1.421 177.262 175.800 0.069 0.000 1.077 674 F CA 0.742 58.788 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 3.313 123.374 120.500 -0.733 0.000 2.195 675 R HA 0.416 4.756 4.340 -0.000 0.000 0.197 675 R C 0.771 176.563 176.300 -0.846 0.000 0.990 675 R CA 0.388 56.131 56.100 -0.594 0.000 1.048 675 R CB 0.071 30.098 30.300 -0.455 0.000 0.997 675 R HN 0.869 nan 8.270 nan 0.000 0.502 676 G N -0.153 107.637 108.800 -1.684 0.000 2.362 676 G HA2 0.032 3.992 3.960 -0.000 0.000 0.288 676 G HA3 0.032 3.992 3.960 -0.000 0.000 0.288 676 G C -1.847 172.530 174.900 -0.872 0.000 1.305 676 G CA -0.956 43.423 45.100 -1.201 0.000 0.910 676 G HN 0.033 nan 8.290 nan 0.000 0.518 677 W N -0.101 121.104 121.300 -0.159 0.000 2.706 677 W HA 0.747 5.407 4.660 0.000 0.000 0.346 677 W C 0.127 176.599 176.519 -0.079 0.000 1.071 677 W CA -0.309 56.980 57.345 -0.094 0.000 1.206 677 W CB 2.443 31.891 29.460 -0.020 0.000 1.413 677 W HN 1.236 nan 8.180 nan 0.000 0.542 678 A N 2.931 125.830 122.820 0.132 0.000 2.455 678 A HA 0.919 5.239 4.320 -0.000 0.000 0.300 678 A C -1.615 175.948 177.584 -0.035 0.000 1.040 678 A CA -0.535 51.471 52.037 -0.051 0.000 0.697 678 A CB 1.480 20.359 19.000 -0.201 0.000 1.265 678 A HN 0.645 nan 8.150 nan 0.000 0.407 679 F N -0.603 119.204 119.950 -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 -0.396 0.000 1.129 679 F CA -0.389 57.405 58.000 -0.343 0.000 0.948 679 F CB 1.195 40.048 39.000 -0.244 0.000 1.315 679 F HN 0.679 nan 8.300 nan 0.000 0.447 680 T N -0.461 114.016 114.554 -0.129 0.000 2.618 680 T HA 0.633 4.983 4.350 -0.000 0.000 0.293 680 T C -1.684 173.259 174.700 0.405 0.000 1.093 680 T CA -1.192 60.886 62.100 -0.036 0.000 1.061 680 T CB 1.990 70.603 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 -1.913 174.441 176.300 0.090 0.000 1.039 681 R CA -0.647 55.573 56.100 0.201 0.000 0.909 681 R CB 0.954 31.276 30.300 0.038 0.000 1.195 681 R HN 0.640 nan 8.270 nan 0.000 0.438 682 L N 2.255 123.537 121.223 0.098 0.000 2.301 682 L HA 0.611 4.951 4.340 -0.000 0.000 0.264 682 L C -0.343 176.537 176.870 0.016 0.000 1.016 682 L CA -1.174 53.711 54.840 0.074 0.000 0.821 682 L CB 1.885 44.033 42.059 0.148 0.000 1.346 682 L HN 0.410 nan 8.230 nan 0.000 0.429 683 K N -0.122 120.287 120.400 0.016 0.000 2.201 683 K HA 0.279 4.599 4.320 -0.000 0.000 0.278 683 K C 0.543 177.135 176.600 -0.014 0.000 1.027 683 K CA -0.369 55.919 56.287 0.002 0.000 0.909 683 K CB 1.575 34.088 32.500 0.023 0.000 1.062 683 K HN 0.587 nan 8.250 nan 0.000 0.465 684 T N 2.071 116.613 114.554 -0.019 0.000 2.759 684 T HA -0.226 4.124 4.350 -0.000 0.000 0.269 684 T C 2.302 176.993 174.700 -0.016 0.000 1.042 684 T CA 2.108 64.195 62.100 -0.022 0.000 1.140 684 T CB -0.133 68.723 68.868 -0.020 0.000 0.864 684 T HN 0.752 nan 8.240 nan 0.000 0.455 685 K N 1.616 121.988 120.400 -0.047 0.000 2.147 685 K HA -0.100 4.220 4.320 -0.000 0.000 0.205 685 K C 1.745 178.215 176.600 -0.216 0.000 1.049 685 K CA 1.560 57.793 56.287 -0.090 0.000 0.936 685 K CB -0.758 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 0.234 120.271 120.200 -0.272 0.000 2.437 686 E HA 0.065 4.415 4.350 -0.000 0.000 0.189 686 E C -0.476 176.170 176.600 0.077 0.000 1.054 686 E CA 0.013 56.191 56.400 -0.370 0.000 0.874 686 E CB 0.582 30.093 29.700 -0.315 0.000 1.011 686 E HN 0.362 nan 8.360 nan 0.000 0.474 687 T N 3.450 118.054 114.554 0.083 0.000 2.977 687 T HA 0.227 4.577 4.350 -0.000 0.000 0.346 687 T C -2.484 172.128 174.700 -0.145 0.000 1.140 687 T CA -1.693 60.395 62.100 -0.019 0.000 1.040 687 T CB 1.080 69.882 68.868 -0.108 0.000 1.046 687 T HN -0.038 nan 8.240 nan 0.000 0.494 688 P HA 0.112 nan 4.420 nan 0.000 0.268 688 P C -0.011 177.027 177.300 -0.438 0.000 1.208 688 P CA -0.259 62.297 63.100 -0.907 0.000 0.777 688 P CB 0.560 31.489 31.700 -1.285 0.000 0.875 689 S N 1.459 116.959 115.700 -0.333 0.000 2.499 689 S HA 0.215 4.685 4.470 -0.000 0.000 0.275 689 S C 0.938 175.421 174.600 -0.195 0.000 1.257 689 S CA -0.638 57.433 58.200 -0.215 0.000 1.050 689 S CB -0.619 62.506 63.200 -0.125 0.000 0.937 689 S HN 0.343 nan 8.310 nan 0.000 0.490 690 L N 4.422 125.547 121.223 -0.164 0.000 2.640 690 L HA 0.296 4.636 4.340 -0.000 0.000 0.230 690 L C 2.058 178.910 176.870 -0.030 0.000 1.123 690 L CA 0.079 54.870 54.840 -0.081 0.000 0.900 690 L CB -0.208 41.825 42.059 -0.043 0.000 1.146 690 L HN 0.848 nan 8.230 nan 0.000 0.484 691 G N 0.528 109.297 108.800 -0.052 0.000 3.340 691 G HA2 0.147 4.107 3.960 -0.000 0.000 0.240 691 G HA3 0.147 4.107 3.960 -0.000 0.000 0.240 691 G C 0.202 175.091 174.900 -0.018 0.000 1.327 691 G CA 0.625 45.709 45.100 -0.028 0.000 1.170 691 G HN 0.388 nan 8.290 nan 0.000 0.520 692 S N -3.556 112.140 115.700 -0.007 0.000 2.683 692 S HA 0.405 4.875 4.470 -0.000 0.000 0.278 692 S C 0.866 175.491 174.600 0.042 0.000 1.059 692 S CA 0.105 58.304 58.200 -0.002 0.000 0.847 692 S CB 0.760 63.941 63.200 -0.031 0.000 1.078 692 S HN 0.509 nan 8.310 nan 0.000 0.456 693 G N -0.235 108.598 108.800 0.056 0.000 2.509 693 G HA2 0.180 4.140 3.960 -0.000 0.000 0.218 693 G HA3 0.180 4.140 3.960 -0.000 0.000 0.218 693 G C -0.041 174.849 174.900 -0.018 0.000 1.124 693 G CA 1.105 46.314 45.100 0.181 0.000 0.776 693 G HN 1.027 nan 8.290 nan 0.000 0.547 694 Y N -0.428 119.639 120.300 -0.390 0.000 2.442 694 Y HA 0.433 4.983 4.550 -0.000 0.000 0.330 694 Y C -2.063 173.680 175.900 -0.262 0.000 1.100 694 Y CA -1.588 56.247 58.100 -0.443 0.000 1.034 694 Y CB 2.116 40.033 38.460 -0.905 0.000 1.285 694 Y HN -0.070 nan 8.280 nan 0.000 0.440 695 D N 8.025 127.991 120.400 -0.723 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 -0.617 0.000 1.089 695 D CA -2.507 51.192 54.000 -0.501 0.000 0.883 695 D CB 1.791 42.401 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 0.491 177.587 177.300 -0.341 0.000 1.146 696 P CA 1.000 63.867 63.100 -0.389 0.000 0.808 696 P CB -0.015 31.366 31.700 -0.532 0.000 0.779 697 Y N -3.165 117.129 120.300 -0.010 0.000 2.470 697 Y HA 0.187 4.737 4.550 -0.000 0.000 0.284 697 Y C 0.756 176.703 175.900 0.078 0.000 1.188 697 Y CA -0.993 57.122 58.100 0.025 0.000 1.269 697 Y CB -1.173 37.298 38.460 0.018 0.000 1.094 697 Y HN -0.103 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 0.626 176.543 175.900 0.028 0.000 1.025 698 Y CA -1.379 56.719 58.100 -0.004 0.000 1.295 698 Y CB 0.247 38.660 38.460 -0.077 0.000 1.147 698 Y HN 0.110 nan 8.280 nan 0.000 0.515 699 T N 3.125 117.593 114.554 -0.143 0.000 3.350 699 T HA 0.301 4.651 4.350 -0.000 0.000 0.246 699 T C -1.079 173.533 174.700 -0.147 0.000 1.284 699 T CA -0.488 61.534 62.100 -0.130 0.000 1.329 699 T CB -0.783 68.071 68.868 -0.024 0.000 1.033 699 T HN 0.489 nan 8.240 nan 0.000 0.632 700 Y N 0.861 120.812 120.300 -0.582 0.000 2.519 700 Y HA 0.548 5.098 4.550 -0.000 0.000 0.336 700 Y C -0.121 175.532 175.900 -0.411 0.000 1.089 700 Y CA -0.792 57.045 58.100 -0.439 0.000 1.025 700 Y CB 2.045 40.256 38.460 -0.416 0.000 1.318 700 Y HN 0.224 nan 8.280 nan 0.000 0.452 701 S N 1.870 117.038 115.700 -0.886 0.000 2.952 701 S HA 0.472 4.942 4.470 -0.000 0.000 0.251 701 S C 0.396 174.604 174.600 -0.652 0.000 1.021 701 S CA -0.024 57.824 58.200 -0.586 0.000 1.067 701 S CB 0.086 63.120 63.200 -0.277 0.000 1.002 701 S HN 0.994 nan 8.310 nan 0.000 0.574 702 G N 2.058 110.026 108.800 -1.387 0.000 2.509 702 G HA2 0.481 4.441 3.960 -0.000 0.000 0.269 702 G HA3 0.481 4.441 3.960 -0.000 0.000 0.269 702 G C 0.073 174.965 174.900 -0.014 0.000 1.416 702 G CA -0.144 44.641 45.100 -0.525 0.000 1.052 702 G HN 0.697 nan 8.290 nan 0.000 0.542 703 S N -1.306 114.537 115.700 0.238 0.000 2.568 703 S HA 0.283 4.753 4.470 -0.000 0.000 0.282 703 S C -0.025 174.797 174.600 0.371 0.000 1.338 703 S CA -0.279 58.069 58.200 0.247 0.000 1.045 703 S CB 0.386 63.712 63.200 0.209 0.000 0.873 703 S HN 0.371 nan 8.310 nan 0.000 0.516 704 I N 4.301 125.022 120.570 0.253 0.000 2.503 704 I HA 0.291 4.461 4.170 -0.000 0.000 0.277 704 I C -1.841 174.363 176.117 0.145 0.000 1.078 704 I CA -2.357 59.106 61.300 0.272 0.000 1.184 704 I CB 1.497 39.662 38.000 0.275 0.000 1.353 704 I HN 0.471 nan 8.210 nan 0.000 0.490 705 P HA -0.283 nan 4.420 nan 0.000 0.218 705 P C 1.565 178.870 177.300 0.008 0.000 1.154 705 P CA 1.634 64.706 63.100 -0.046 0.000 0.872 705 P CB 0.025 31.838 31.700 0.189 0.000 0.790 706 Y N 0.009 120.383 120.300 0.123 0.000 2.256 706 Y HA -0.171 4.379 4.550 -0.000 0.000 0.288 706 Y C 1.969 177.918 175.900 0.082 0.000 1.155 706 Y CA 1.558 59.728 58.100 0.118 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 -0.820 120.435 121.223 0.055 0.000 2.388 707 L HA 0.066 4.406 4.340 -0.000 0.000 0.209 707 L C 1.649 178.476 176.870 -0.072 0.000 1.061 707 L CA 0.847 55.680 54.840 -0.012 0.000 0.834 707 L CB -0.223 41.905 42.059 0.114 0.000 1.029 707 L HN 0.171 nan 8.230 nan 0.000 0.473 708 D N -0.878 119.453 120.400 -0.115 0.000 2.366 708 D HA 0.084 4.724 4.640 -0.000 0.000 0.205 708 D C 1.471 177.560 176.300 -0.351 0.000 1.022 708 D CA 0.815 54.711 54.000 -0.172 0.000 0.868 708 D CB 0.327 41.062 40.800 -0.109 0.000 0.953 708 D HN 0.163 nan 8.370 nan 0.000 0.514 709 G N 0.233 108.648 108.800 -0.641 0.000 2.141 709 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.231 709 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.231 709 G C 0.668 175.056 174.900 -0.854 0.000 0.984 709 G CA 0.455 44.944 45.100 -1.019 0.000 0.660 709 G HN 0.680 nan 8.290 nan 0.000 0.525 710 T N -0.365 113.750 114.554 -0.732 0.000 3.624 710 T HA 0.542 4.892 4.350 -0.000 0.000 0.231 710 T C 0.596 175.288 174.700 -0.012 0.000 0.865 710 T CA -0.539 61.163 62.100 -0.662 0.000 0.926 710 T CB -0.651 67.600 68.868 -1.029 0.000 1.189 710 T HN 0.283 nan 8.240 nan 0.000 0.640 711 F N 2.833 122.935 119.950 0.253 0.000 2.572 711 F HA 0.281 4.808 4.527 -0.000 0.000 0.370 711 F C 1.014 177.101 175.800 0.478 0.000 1.103 711 F CA -1.076 57.094 58.000 0.283 0.000 1.286 711 F CB 0.020 39.092 39.000 0.120 0.000 1.105 711 F HN 0.513 nan 8.300 nan 0.000 0.583 712 Y N -0.495 120.088 120.300 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 -0.769 37.906 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 0.914 177.683 176.870 -0.168 0.000 1.232 713 L CA -0.100 54.593 54.840 -0.245 0.000 1.031 713 L CB 0.114 41.968 42.059 -0.341 0.000 1.379 713 L HN 0.172 nan 8.230 nan 0.000 0.563 714 N N 0.591 119.325 118.700 0.057 0.000 2.364 714 N HA -0.157 4.583 4.740 -0.000 0.000 0.183 714 N C 1.663 177.541 175.510 0.614 0.000 1.022 714 N CA 1.043 54.246 53.050 0.255 0.000 0.883 714 N CB -0.098 38.193 38.487 -0.328 0.000 0.965 714 N HN 0.592 nan 8.380 nan 0.000 0.438 715 H N -0.688 118.592 119.070 0.350 0.000 2.556 715 H HA 0.105 4.661 4.556 -0.000 0.000 0.268 715 H C 1.075 176.443 175.328 0.067 0.000 0.996 715 H CA 1.171 57.266 56.048 0.078 0.000 1.157 715 H CB -0.483 29.106 29.762 -0.288 0.000 1.355 715 H HN 0.130 nan 8.280 nan 0.000 0.597 716 T N -2.398 112.038 114.554 -0.198 0.000 3.107 716 T HA 0.115 4.465 4.350 -0.000 0.000 0.249 716 T C 0.248 174.868 174.700 -0.132 0.000 1.096 716 T CA -0.522 61.464 62.100 -0.190 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 1.584 121.609 119.950 0.125 0.000 2.412 717 F HA 0.521 5.048 4.527 0.000 0.000 0.348 717 F C 1.499 177.304 175.800 0.008 0.000 1.102 717 F CA -0.724 57.348 58.000 0.120 0.000 1.196 717 F CB 1.508 40.656 39.000 0.246 0.000 1.144 717 F HN -0.121 nan 8.300 nan 0.000 0.541 718 K N 1.572 122.050 120.400 0.129 0.000 2.225 718 K HA 0.161 4.481 4.320 -0.000 0.000 0.204 718 K C -0.387 176.190 176.600 -0.038 0.000 1.047 718 K CA 0.498 56.806 56.287 0.035 0.000 0.970 718 K CB 0.475 32.987 32.500 0.019 0.000 0.939 718 K HN 0.644 nan 8.250 nan 0.000 0.472 719 K N -1.097 119.289 120.400 -0.024 0.000 2.615 719 K HA 0.462 4.782 4.320 -0.000 0.000 0.291 719 K C -1.495 175.015 176.600 -0.149 0.000 1.017 719 K CA -1.095 55.129 56.287 -0.106 0.000 0.882 719 K CB 2.149 34.605 32.500 -0.074 0.000 1.522 719 K HN -0.208 nan 8.250 nan 0.000 0.412 720 V N -0.211 119.577 119.914 -0.209 0.000 2.668 720 V HA 0.774 4.894 4.120 -0.000 0.000 0.304 720 V C -1.144 174.822 176.094 -0.214 0.000 1.071 720 V CA -0.749 61.300 62.300 -0.417 0.000 0.894 720 V CB 1.533 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 5.621 128.255 122.820 -0.310 0.000 2.304 721 A HA 0.923 5.243 4.320 -0.000 0.000 0.314 721 A C -0.843 176.605 177.584 -0.228 0.000 1.187 721 A CA -0.435 51.502 52.037 -0.166 0.000 0.810 721 A CB 0.687 19.609 19.000 -0.131 0.000 1.183 721 A HN 0.798 nan 8.150 nan 0.000 0.487 722 I N 2.303 122.812 120.570 -0.102 0.000 2.404 722 I HA 0.486 4.656 4.170 -0.000 0.000 0.293 722 I C -0.361 175.734 176.117 -0.038 0.000 0.992 722 I CA -0.095 61.104 61.300 -0.168 0.000 1.149 722 I CB 2.367 40.244 38.000 -0.205 0.000 1.315 722 I HN 0.624 nan 8.210 nan 0.000 0.446 723 T N 4.811 119.276 114.554 -0.147 0.000 2.928 723 T HA 0.519 4.869 4.350 -0.000 0.000 0.296 723 T C -0.672 173.946 174.700 -0.136 0.000 1.000 723 T CA -0.572 61.505 62.100 -0.038 0.000 0.989 723 T CB 1.051 69.914 68.868 -0.008 0.000 1.005 723 T HN 0.036 nan 8.240 nan 0.000 0.442 724 F N 2.002 122.005 119.950 0.089 0.000 2.399 724 F HA 0.355 4.882 4.527 0.000 0.000 0.334 724 F C 0.855 176.722 175.800 0.112 0.000 1.097 724 F CA -0.494 57.552 58.000 0.075 0.000 1.076 724 F CB 0.869 39.925 39.000 0.092 0.000 1.162 724 F HN 0.611 nan 8.300 nan 0.000 0.495 725 D N 2.520 123.117 120.400 0.327 0.000 2.701 725 D HA -0.289 4.351 4.640 -0.000 0.000 0.235 725 D C 1.265 177.651 176.300 0.144 0.000 1.155 725 D CA 1.341 55.477 54.000 0.228 0.000 0.649 725 D CB -1.280 39.666 40.800 0.244 0.000 1.050 725 D HN 0.991 nan 8.370 nan 0.000 0.425 726 S N -2.287 113.478 115.700 0.108 0.000 3.017 726 S HA -0.376 4.094 4.470 -0.000 0.000 0.283 726 S C 1.537 176.180 174.600 0.072 0.000 1.304 726 S CA 2.949 61.192 58.200 0.072 0.000 1.224 726 S CB -1.694 61.543 63.200 0.061 0.000 1.480 726 S HN 1.046 nan 8.310 nan 0.000 0.698 727 S N -2.401 113.358 115.700 0.099 0.000 2.918 727 S HA 0.494 4.964 4.470 -0.000 0.000 0.264 727 S C 0.212 174.876 174.600 0.106 0.000 1.078 727 S CA 0.583 58.835 58.200 0.086 0.000 0.918 727 S CB 0.076 63.321 63.200 0.075 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 0.271 176.509 176.094 0.241 0.000 1.045 728 V CA -0.282 62.134 62.300 0.194 0.000 0.976 728 V CB 1.008 32.970 31.823 0.232 0.000 0.993 728 V HN 0.464 nan 8.190 nan 0.000 0.475 729 S N 5.143 120.955 115.700 0.188 0.000 2.465 729 S HA 0.386 4.856 4.470 -0.000 0.000 0.279 729 S C -0.825 173.943 174.600 0.281 0.000 1.201 729 S CA -0.557 57.757 58.200 0.189 0.000 1.053 729 S CB 0.135 63.386 63.200 0.084 0.000 0.953 729 S HN 0.668 nan 8.310 nan 0.000 0.488 730 W N 7.486 128.915 121.300 0.215 0.000 2.478 730 W HA 0.491 5.151 4.660 -0.000 0.000 0.318 730 W C -2.037 174.650 176.519 0.280 0.000 1.062 730 W CA -2.195 55.339 57.345 0.315 0.000 1.210 730 W CB 1.515 31.316 29.460 0.568 0.000 1.325 730 W HN 0.515 nan 8.180 nan 0.000 0.496 731 P HA 0.137 nan 4.420 nan 0.000 0.251 731 P C 0.972 178.020 177.300 -0.420 0.000 1.223 731 P CA 1.056 63.478 63.100 -1.131 0.000 0.796 731 P CB 0.317 31.282 31.700 -1.225 0.000 1.068 732 G N 1.651 110.328 108.800 -0.204 0.000 2.594 732 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.297 732 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.297 732 G C 0.485 175.298 174.900 -0.144 0.000 1.273 732 G CA 0.475 45.508 45.100 -0.112 0.000 0.974 732 G HN 0.282 nan 8.290 nan 0.000 0.552 733 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 2.481 55.475 53.050 -0.092 0.000 0.812 733 N CB -0.756 37.660 38.487 -0.117 0.000 1.148 733 N HN 1.360 nan 8.380 nan 0.000 0.572 734 D N -1.824 118.525 120.400 -0.085 0.000 2.945 734 D HA -0.205 4.436 4.640 -0.000 0.000 0.225 734 D C 1.226 177.478 176.300 -0.080 0.000 1.158 734 D CA 1.154 55.111 54.000 -0.073 0.000 0.805 734 D CB -0.391 40.379 40.800 -0.051 0.000 1.098 734 D HN 0.444 nan 8.370 nan 0.000 0.426 735 R N -0.363 120.074 120.500 -0.104 0.000 2.062 735 R HA 0.016 4.356 4.340 -0.000 0.000 0.231 735 R C 1.299 177.562 176.300 -0.062 0.000 1.136 735 R CA 0.742 56.794 56.100 -0.080 0.000 0.948 735 R CB -0.257 29.984 30.300 -0.098 0.000 0.845 735 R HN 0.307 nan 8.270 nan 0.000 0.430 736 L N 1.125 122.278 121.223 -0.117 0.000 2.421 736 L HA 0.145 4.485 4.340 -0.000 0.000 0.263 736 L C 1.994 178.779 176.870 -0.142 0.000 1.122 736 L CA -0.441 54.314 54.840 -0.141 0.000 0.804 736 L CB 0.482 42.392 42.059 -0.249 0.000 1.150 736 L HN 0.008 nan 8.230 nan 0.000 0.457 737 L N 0.545 121.656 121.223 -0.187 0.000 2.127 737 L HA -0.137 4.203 4.340 -0.000 0.000 0.211 737 L C 1.262 178.054 176.870 -0.130 0.000 1.089 737 L CA 1.539 56.224 54.840 -0.257 0.000 0.757 737 L CB -0.485 41.193 42.059 -0.635 0.000 0.899 737 L HN 0.845 nan 8.230 nan 0.000 0.434 738 T N -4.429 110.056 114.554 -0.114 0.000 3.466 738 T HA 0.281 4.631 4.350 -0.000 0.000 0.297 738 T C -1.627 173.005 174.700 -0.114 0.000 1.640 738 T CA -1.768 60.302 62.100 -0.049 0.000 1.631 738 T CB 0.658 69.530 68.868 0.007 0.000 0.928 738 T HN -0.098 nan 8.240 nan 0.000 0.688 739 P HA -0.198 nan 4.420 nan 0.000 0.219 739 P C 1.080 178.290 177.300 -0.150 0.000 1.151 739 P CA 1.309 64.324 63.100 -0.142 0.000 0.850 739 P CB 0.064 31.710 31.700 -0.090 0.000 0.784 740 N N -0.017 118.622 118.700 -0.103 0.000 2.515 740 N HA -0.036 4.704 4.740 -0.000 0.000 0.185 740 N C 0.597 176.049 175.510 -0.097 0.000 1.109 740 N CA 0.671 53.674 53.050 -0.080 0.000 0.903 740 N CB 0.124 38.585 38.487 -0.042 0.000 0.969 740 N HN 0.548 nan 8.380 nan 0.000 0.450 741 E N -1.604 118.500 120.200 -0.159 0.000 2.417 741 E HA 0.240 4.590 4.350 -0.000 0.000 0.280 741 E C -1.524 174.933 176.600 -0.239 0.000 1.112 741 E CA -0.785 55.530 56.400 -0.141 0.000 0.863 741 E CB 0.246 29.903 29.700 -0.072 0.000 1.346 741 E HN -0.225 nan 8.360 nan 0.000 0.443 742 F N 1.206 121.110 119.950 -0.076 0.000 2.375 742 F HA 0.279 4.806 4.527 -0.000 0.000 0.362 742 F C 0.244 175.953 175.800 -0.152 0.000 1.129 742 F CA -0.273 57.698 58.000 -0.049 0.000 1.154 742 F CB 1.177 40.194 39.000 0.029 0.000 1.205 742 F HN 0.281 nan 8.300 nan 0.000 0.513 743 E N 4.087 124.293 120.200 0.010 0.000 2.089 743 E HA 0.205 4.555 4.350 -0.000 0.000 0.284 743 E C 0.749 177.248 176.600 -0.167 0.000 1.023 743 E CA -0.146 56.217 56.400 -0.062 0.000 0.819 743 E CB 1.054 30.753 29.700 -0.002 0.000 1.076 743 E HN 0.665 nan 8.360 nan 0.000 0.396 744 I N 3.545 123.867 120.570 -0.413 0.000 2.353 744 I HA -0.176 3.994 4.170 -0.000 0.000 0.248 744 I C 0.608 176.588 176.117 -0.227 0.000 1.119 744 I CA 1.242 62.077 61.300 -0.775 0.000 1.417 744 I CB 0.039 37.385 38.000 -1.090 0.000 1.078 744 I HN 0.389 nan 8.210 nan 0.000 0.421 745 K N -0.175 120.209 120.400 -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 -0.926 55.442 56.287 0.135 0.000 0.854 745 K CB 1.778 34.459 32.500 0.301 0.000 1.424 745 K HN -0.203 nan 8.250 nan 0.000 0.427 746 R N 0.471 121.049 120.500 0.131 0.000 2.740 746 R HA 0.562 4.902 4.340 -0.000 0.000 0.282 746 R C -0.838 175.522 176.300 0.099 0.000 0.969 746 R CA -0.589 55.572 56.100 0.102 0.000 0.918 746 R CB 2.122 32.485 30.300 0.106 0.000 1.175 746 R HN 0.896 nan 8.270 nan 0.000 0.464 747 S N 1.803 117.546 115.700 0.071 0.000 2.461 747 S HA 0.407 4.877 4.470 -0.000 0.000 0.322 747 S C 1.167 175.794 174.600 0.046 0.000 1.063 747 S CA -0.594 57.644 58.200 0.063 0.000 1.120 747 S CB 0.359 63.591 63.200 0.052 0.000 0.968 747 S HN 0.547 nan 8.310 nan 0.000 0.467 748 V N 1.327 121.270 119.914 0.049 0.000 0.564 748 V HA -0.523 3.597 4.120 -0.000 0.000 0.092 748 V C 2.370 178.473 176.094 0.015 0.000 1.994 748 V CA 3.187 65.506 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 0.367 120.773 120.400 0.008 0.000 2.228 749 D HA 0.111 4.751 4.640 -0.000 0.000 0.203 749 D C 1.784 178.068 176.300 -0.027 0.000 0.988 749 D CA 2.066 56.060 54.000 -0.009 0.000 0.864 749 D CB -0.576 40.219 40.800 -0.008 0.000 0.928 749 D HN 1.226 nan 8.370 nan 0.000 0.469 750 G N -1.207 107.587 108.800 -0.010 0.000 3.690 750 G HA2 0.263 4.223 3.960 -0.000 0.000 0.283 750 G HA3 0.263 4.223 3.960 -0.000 0.000 0.283 750 G C 1.036 175.938 174.900 0.003 0.000 1.057 750 G CA 0.479 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 1.656 121.865 120.200 0.015 0.000 2.132 751 E HA -0.227 4.123 4.350 -0.000 0.000 0.218 751 E C 2.639 179.273 176.600 0.056 0.000 1.058 751 E CA 1.752 58.177 56.400 0.040 0.000 0.882 751 E CB -0.852 28.864 29.700 0.027 0.000 0.774 751 E HN 0.346 nan 8.360 nan 0.000 0.467 752 G N -0.442 108.366 108.800 0.014 0.000 2.550 752 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.222 752 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.222 752 G C 1.226 176.252 174.900 0.210 0.000 1.113 752 G CA 1.190 46.317 45.100 0.046 0.000 0.748 752 G HN 0.273 nan 8.290 nan 0.000 0.585 753 Y N 0.974 121.293 120.300 0.033 0.000 2.490 753 Y HA 0.228 4.778 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 -1.118 57.004 58.100 0.038 0.000 1.295 753 Y CB -0.415 38.066 38.460 0.034 0.000 1.062 753 Y HN 0.093 nan 8.280 nan 0.000 0.522 754 N N -0.533 118.284 118.700 0.195 0.000 2.434 754 N HA 0.387 5.127 4.740 -0.000 0.000 0.266 754 N C -0.432 175.119 175.510 0.069 0.000 1.223 754 N CA -0.115 53.011 53.050 0.126 0.000 0.972 754 N CB 2.211 40.769 38.487 0.119 0.000 1.207 754 N HN -0.065 nan 8.380 nan 0.000 0.525 755 V N -1.081 118.841 119.914 0.013 0.000 3.181 755 V HA 0.560 4.680 4.120 -0.000 0.000 0.307 755 V C -0.440 175.573 176.094 -0.135 0.000 1.310 755 V CA 0.027 62.272 62.300 -0.092 0.000 1.067 755 V CB 1.343 33.047 31.823 -0.198 0.000 1.081 755 V HN 0.843 nan 8.190 nan 0.000 0.453 756 A N 1.697 124.377 122.820 -0.233 0.000 2.799 756 A HA -0.265 4.055 4.320 -0.000 0.000 0.274 756 A C 0.765 178.334 177.584 -0.025 0.000 1.393 756 A CA 2.040 53.972 52.037 -0.174 0.000 0.909 756 A CB -2.283 16.572 19.000 -0.241 0.000 1.012 756 A HN 1.700 nan 8.150 nan 0.000 0.653 757 Q N -4.394 115.404 119.800 -0.003 0.000 2.502 757 Q HA -0.260 4.080 4.340 -0.000 0.000 0.273 757 Q C 0.308 176.347 176.000 0.065 0.000 1.127 757 Q CA 1.207 57.028 55.803 0.029 0.000 0.952 757 Q CB -2.743 26.005 28.738 0.018 0.000 1.333 757 Q HN 2.177 nan 8.270 nan 0.000 0.494 758 C N -2.377 116.984 119.300 0.100 0.000 3.311 758 C HA 0.598 5.058 4.460 -0.000 0.000 0.366 758 C C 1.190 176.305 174.990 0.207 0.000 1.694 758 C CA -0.198 58.924 59.018 0.174 0.000 1.244 758 C CB 0.902 28.771 27.740 0.214 0.000 2.038 758 C HN 0.456 nan 8.230 nan 0.000 0.436 759 N N 0.675 119.560 118.700 0.309 0.000 2.370 759 N HA 0.073 4.813 4.740 -0.000 0.000 0.198 759 N C 0.144 175.842 175.510 0.314 0.000 1.156 759 N CA -0.018 53.205 53.050 0.289 0.000 0.839 759 N CB -0.242 38.413 38.487 0.280 0.000 0.989 759 N HN 0.889 nan 8.380 nan 0.000 0.468 760 M N 1.649 121.413 119.600 0.275 0.000 2.242 760 M HA 0.098 4.578 4.480 -0.000 0.000 0.344 760 M C 0.164 176.549 176.300 0.142 0.000 1.140 760 M CA -0.305 55.100 55.300 0.176 0.000 1.160 760 M CB 0.941 33.549 32.600 0.013 0.000 1.491 760 M HN 0.207 nan 8.290 nan 0.000 0.459 761 T N 1.099 115.744 114.554 0.151 0.000 2.899 761 T HA 0.312 4.662 4.350 -0.000 0.000 0.284 761 T C 0.748 175.521 174.700 0.122 0.000 1.004 761 T CA -0.635 61.547 62.100 0.136 0.000 1.043 761 T CB 1.146 70.089 68.868 0.126 0.000 1.013 761 T HN 0.811 nan 8.240 nan 0.000 0.518 762 K N 0.563 121.009 120.400 0.077 0.000 2.057 762 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 762 K C 1.855 178.511 176.600 0.093 0.000 1.049 762 K CA 1.661 57.992 56.287 0.074 0.000 0.931 762 K CB -0.205 32.318 32.500 0.038 0.000 0.714 762 K HN 0.611 nan 8.250 nan 0.000 0.440 763 D N 0.178 120.598 120.400 0.033 0.000 2.106 763 D HA -0.233 4.407 4.640 -0.000 0.000 0.191 763 D C 1.489 177.817 176.300 0.048 0.000 0.997 763 D CA 0.924 54.932 54.000 0.013 0.000 0.834 763 D CB -0.282 40.506 40.800 -0.021 0.000 0.956 763 D HN 0.366 nan 8.370 nan 0.000 0.448 764 W N 0.380 121.618 121.300 -0.103 0.000 2.358 764 W HA -0.237 4.423 4.660 0.000 0.000 0.303 764 W C 2.130 178.503 176.519 -0.243 0.000 1.208 764 W CA 0.511 57.745 57.345 -0.184 0.000 1.274 764 W CB -0.544 28.791 29.460 -0.209 0.000 1.138 764 W HN -0.072 nan 8.180 nan 0.000 0.515 765 F N 1.265 121.074 119.950 -0.236 0.000 2.161 765 F HA -0.256 4.271 4.527 -0.000 0.000 0.300 765 F C 2.272 177.866 175.800 -0.344 0.000 1.089 765 F CA 1.890 59.666 58.000 -0.373 0.000 1.282 765 F CB -0.941 37.862 39.000 -0.328 0.000 1.010 765 F HN -0.136 nan 8.300 nan 0.000 0.485 766 L N -0.284 120.852 121.223 -0.145 0.000 2.027 766 L HA -0.123 4.217 4.340 -0.000 0.000 0.206 766 L C 2.169 178.810 176.870 -0.383 0.000 1.074 766 L CA 1.705 56.490 54.840 -0.092 0.000 0.745 766 L CB -0.999 41.081 42.059 0.034 0.000 0.898 766 L HN 0.022 nan 8.230 nan 0.000 0.433 767 V N -0.273 119.315 119.914 -0.545 0.000 2.343 767 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 767 V C 2.692 178.292 176.094 -0.823 0.000 1.051 767 V CA 1.638 63.480 62.300 -0.764 0.000 1.036 767 V CB -0.796 30.477 31.823 -0.916 0.000 0.654 767 V HN 0.506 nan 8.190 nan 0.000 0.451 768 Q N -0.909 118.238 119.800 -1.089 0.000 2.084 768 Q HA -0.104 4.236 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 1.331 56.429 55.803 -1.175 0.000 0.844 768 Q CB -0.451 27.173 28.738 -1.858 0.000 0.898 768 Q HN 0.471 nan 8.270 nan 0.000 0.426 769 M N -0.011 119.177 119.600 -0.687 0.000 2.132 769 M HA -0.083 4.397 4.480 -0.000 0.000 0.263 769 M C 2.301 178.472 176.300 -0.214 0.000 1.065 769 M CA 1.144 56.253 55.300 -0.317 0.000 1.122 769 M CB -0.901 31.494 32.600 -0.341 0.000 1.365 769 M HN 0.155 nan 8.290 nan 0.000 0.411 770 L N -0.320 120.723 121.223 -0.299 0.000 2.044 770 L HA -0.106 4.234 4.340 -0.000 0.000 0.205 770 L C 2.780 179.535 176.870 -0.191 0.000 1.075 770 L CA 1.157 55.867 54.840 -0.217 0.000 0.747 770 L CB -0.995 40.945 42.059 -0.198 0.000 0.903 770 L HN 0.240 nan 8.230 nan 0.000 0.435 771 A N 0.062 122.723 122.820 -0.265 0.000 1.940 771 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 771 A C 2.106 179.504 177.584 -0.311 0.000 1.176 771 A CA 2.072 53.962 52.037 -0.246 0.000 0.631 771 A CB -0.600 18.214 19.000 -0.310 0.000 0.814 771 A HN 0.507 nan 8.150 nan 0.000 0.446 772 N N -2.104 116.307 118.700 -0.482 0.000 2.305 772 N HA -0.017 4.723 4.740 -0.000 0.000 0.179 772 N C 0.471 175.473 175.510 -0.846 0.000 1.019 772 N CA 1.497 54.080 53.050 -0.778 0.000 0.869 772 N CB 0.047 37.797 38.487 -1.228 0.000 1.000 772 N HN 0.674 nan 8.380 nan 0.000 0.431 773 Y N -0.785 119.442 120.300 -0.123 0.000 2.672 773 Y HA 0.349 4.899 4.550 -0.000 0.000 0.252 773 Y C 0.059 175.889 175.900 -0.117 0.000 1.132 773 Y CA -0.643 57.384 58.100 -0.121 0.000 1.228 773 Y CB 0.100 38.462 38.460 -0.162 0.000 1.310 773 Y HN -0.189 nan 8.280 nan 0.000 0.549 774 N N 0.662 119.353 118.700 -0.014 0.000 2.800 774 N HA -0.194 4.546 4.740 -0.000 0.000 0.250 774 N C -0.724 174.753 175.510 -0.055 0.000 1.078 774 N CA 0.823 53.862 53.050 -0.018 0.000 0.804 774 N CB -1.419 37.085 38.487 0.028 0.000 1.135 774 N HN 0.444 nan 8.380 nan 0.000 0.565 775 I N -0.626 119.880 120.570 -0.107 0.000 2.331 775 I HA 0.500 4.670 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 1.498 39.257 38.000 -0.401 0.000 1.386 775 I HN 0.235 nan 8.210 nan 0.000 0.476 776 G N 3.979 112.510 108.800 -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 0.422 174.918 174.900 -0.674 0.000 0.972 776 G CA -0.211 44.454 45.100 -0.726 0.000 0.882 776 G HN 0.457 nan 8.290 nan 0.000 0.364 777 Y N 1.418 121.594 120.300 -0.205 0.000 2.519 777 Y HA 0.340 4.890 4.550 0.000 0.000 0.287 777 Y C 2.171 177.998 175.900 -0.122 0.000 1.128 777 Y CA 1.114 59.129 58.100 -0.143 0.000 1.282 777 Y CB 0.440 38.854 38.460 -0.077 0.000 1.027 777 Y HN 0.243 nan 8.280 nan 0.000 0.551 778 Q N 0.071 119.875 119.800 0.008 0.000 2.233 778 Q HA 0.432 4.772 4.340 -0.000 0.000 0.340 778 Q C 0.082 176.099 176.000 0.028 0.000 0.899 778 Q CA -0.041 55.781 55.803 0.031 0.000 1.139 778 Q CB 0.949 29.730 28.738 0.072 0.000 1.273 778 Q HN 0.374 nan 8.270 nan 0.000 0.431 779 G N 0.595 109.331 108.800 -0.106 0.000 2.690 779 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.686 779 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.686 779 G C -1.118 173.695 174.900 -0.145 0.000 1.277 779 G CA -1.037 44.018 45.100 -0.074 0.000 0.799 779 G HN 0.156 nan 8.290 nan 0.000 0.613 780 F N 1.231 121.245 119.950 0.107 0.000 2.421 780 F HA 0.826 5.353 4.527 0.000 0.000 0.337 780 F C 0.705 176.553 175.800 0.079 0.000 1.105 780 F CA -0.240 57.757 58.000 -0.006 0.000 1.049 780 F CB 1.631 40.715 39.000 0.140 0.000 1.139 780 F HN 0.748 nan 8.300 nan 0.000 0.479 781 Y N -0.190 120.190 120.300 0.134 0.000 2.689 781 Y HA 0.624 5.174 4.550 -0.000 0.000 0.333 781 Y C -1.121 174.642 175.900 -0.230 0.000 1.208 781 Y CA -2.126 55.963 58.100 -0.018 0.000 1.055 781 Y CB 0.455 38.890 38.460 -0.040 0.000 1.304 781 Y HN 0.345 nan 8.280 nan 0.000 0.455 782 I N 4.309 124.807 120.570 -0.120 0.000 2.598 782 I HA 0.170 4.340 4.170 -0.000 0.000 0.284 782 I C -2.021 173.854 176.117 -0.404 0.000 1.140 782 I CA -1.476 59.513 61.300 -0.517 0.000 1.420 782 I CB 0.356 38.174 38.000 -0.303 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 -0.376 0.000 1.215 783 P CA -0.210 62.508 63.100 -0.637 0.000 0.780 783 P CB 0.308 31.253 31.700 -1.258 0.000 0.898 784 E N 0.969 120.991 120.200 -0.297 0.000 2.415 784 E HA 0.093 4.443 4.350 -0.000 0.000 0.263 784 E C 1.337 177.737 176.600 -0.334 0.000 0.995 784 E CA 0.228 56.464 56.400 -0.272 0.000 0.915 784 E CB -0.720 28.781 29.700 -0.332 0.000 0.951 784 E HN 0.438 nan 8.360 nan 0.000 0.449 785 S N 1.015 116.632 115.700 -0.138 0.000 2.389 785 S HA -0.319 4.151 4.470 -0.000 0.000 0.231 785 S C 1.952 176.531 174.600 -0.034 0.000 1.052 785 S CA 2.093 60.262 58.200 -0.051 0.000 1.053 785 S CB -0.961 62.255 63.200 0.028 0.000 0.886 785 S HN 0.989 nan 8.310 nan 0.000 0.456 786 Y N 1.788 122.103 120.300 0.024 0.000 2.497 786 Y HA 0.188 4.738 4.550 -0.000 0.000 0.292 786 Y C 1.637 177.577 175.900 0.065 0.000 1.137 786 Y CA 0.518 58.638 58.100 0.034 0.000 1.285 786 Y CB -0.529 37.945 38.460 0.024 0.000 0.991 786 Y HN 0.126 nan 8.280 nan 0.000 0.556 787 K N -0.311 119.825 120.400 -0.439 0.000 2.352 787 K HA 0.015 4.335 4.320 -0.000 0.000 0.194 787 K C -0.213 176.463 176.600 0.126 0.000 1.038 787 K CA 0.587 56.788 56.287 -0.143 0.000 1.023 787 K CB 0.242 32.627 32.500 -0.192 0.000 0.840 787 K HN 0.111 nan 8.250 nan 0.000 0.519 788 D N 2.305 122.740 120.400 0.059 0.000 2.518 788 D HA 0.057 4.697 4.640 -0.000 0.000 0.230 788 D C -0.139 176.232 176.300 0.120 0.000 1.138 788 D CA -0.310 53.795 54.000 0.175 0.000 0.964 788 D CB 0.318 41.144 40.800 0.043 0.000 1.011 788 D HN -0.005 nan 8.370 nan 0.000 0.517 789 R N 1.935 122.511 120.500 0.127 0.000 2.519 789 R HA 0.273 4.613 4.340 -0.000 0.000 0.244 789 R C 1.554 177.863 176.300 0.015 0.000 1.241 789 R CA -0.780 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 0.123 119.665 119.600 -0.098 0.000 2.082 790 M HA -0.183 4.297 4.480 -0.000 0.000 0.258 790 M C 0.613 176.734 176.300 -0.299 0.000 1.069 790 M CA 2.040 57.166 55.300 -0.291 0.000 1.102 790 M CB -0.031 32.236 32.600 -0.554 0.000 1.336 790 M HN 0.445 nan 8.290 nan 0.000 0.404 791 Y N -0.245 120.086 120.300 0.051 0.000 2.532 791 Y HA 0.300 4.850 4.550 -0.000 0.000 0.283 791 Y C 0.836 176.785 175.900 0.083 0.000 1.181 791 Y CA -0.513 57.629 58.100 0.070 0.000 1.256 791 Y CB -0.392 38.106 38.460 0.062 0.000 1.112 791 Y HN 0.024 nan 8.280 nan 0.000 0.521 792 S N 0.063 115.876 115.700 0.190 0.000 2.645 792 S HA 0.078 4.548 4.470 -0.000 0.000 0.266 792 S C 0.951 175.697 174.600 0.243 0.000 1.258 792 S CA -0.676 57.645 58.200 0.202 0.000 0.990 792 S CB 0.584 63.932 63.200 0.248 0.000 0.967 792 S HN 0.390 nan 8.310 nan 0.000 0.556 793 F N 1.558 121.586 119.950 0.131 0.000 2.022 793 F HA -0.056 4.471 4.527 -0.000 0.000 0.293 793 F C 1.849 177.816 175.800 0.278 0.000 1.142 793 F CA 1.421 59.513 58.000 0.153 0.000 1.177 793 F CB -0.818 38.213 39.000 0.052 0.000 0.982 793 F HN 0.665 nan 8.300 nan 0.000 0.473 794 F N 1.552 121.394 119.950 -0.180 0.000 2.043 794 F HA -0.271 4.256 4.527 0.000 0.000 0.297 794 F C 2.838 178.573 175.800 -0.108 0.000 1.121 794 F CA 2.563 60.392 58.000 -0.284 0.000 1.199 794 F CB -0.715 38.226 39.000 -0.099 0.000 0.968 794 F HN 0.061 nan 8.300 nan 0.000 0.478 795 R N 0.502 121.066 120.500 0.106 0.000 2.170 795 R HA -0.191 4.149 4.340 -0.000 0.000 0.242 795 R C 1.343 177.597 176.300 -0.077 0.000 1.145 795 R CA 2.094 58.205 56.100 0.019 0.000 0.984 795 R CB -0.494 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 -0.662 118.002 118.700 -0.060 0.000 2.236 796 N HA -0.040 4.700 4.740 -0.000 0.000 0.196 796 N C -0.725 174.782 175.510 -0.005 0.000 1.114 796 N CA -0.017 53.030 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 3.129 122.866 119.950 -0.354 0.000 2.472 797 F HA 0.178 4.705 4.527 0.000 0.000 0.364 797 F C -0.140 175.523 175.800 -0.228 0.000 1.090 797 F CA -0.187 57.612 58.000 -0.335 0.000 1.188 797 F CB 0.549 39.132 39.000 -0.695 0.000 1.105 797 F HN -0.176 nan 8.300 nan 0.000 0.536 798 Q N 8.616 128.097 119.800 -0.531 0.000 2.490 798 Q HA 0.308 4.648 4.340 -0.000 0.000 0.255 798 Q C -2.703 173.008 176.000 -0.482 0.000 0.997 798 Q CA -1.981 53.537 55.803 -0.474 0.000 0.709 798 Q CB 1.623 30.240 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 -0.527 176.701 177.300 -0.121 0.000 1.259 799 P CA -0.237 62.668 63.100 -0.324 0.000 0.794 799 P CB 1.008 32.514 31.700 -0.323 0.000 0.940 800 M N 1.121 120.719 119.600 -0.003 0.000 2.572 800 M HA 0.533 5.013 4.480 -0.000 0.000 0.299 800 M C -0.305 176.178 176.300 0.306 0.000 1.205 800 M CA -0.312 55.046 55.300 0.097 0.000 0.876 800 M CB 2.601 35.177 32.600 -0.041 0.000 1.728 800 M HN 0.155 nan 8.290 nan 0.000 0.458 801 S N 0.384 116.325 115.700 0.402 0.000 2.556 801 S HA 0.874 5.344 4.470 -0.000 0.000 0.271 801 S C -1.500 173.182 174.600 0.137 0.000 1.135 801 S CA -0.937 57.451 58.200 0.313 0.000 0.858 801 S CB 2.585 65.867 63.200 0.137 0.000 1.114 801 S HN 0.782 nan 8.310 nan 0.000 0.468 802 R N 0.765 121.148 120.500 -0.195 0.000 2.728 802 R HA 0.666 5.006 4.340 -0.000 0.000 0.274 802 R C -2.231 173.855 176.300 -0.358 0.000 1.032 802 R CA -0.940 54.920 56.100 -0.400 0.000 0.866 802 R CB 0.686 30.429 30.300 -0.927 0.000 1.263 802 R HN 0.417 nan 8.270 nan 0.000 0.475 803 Q N 0.372 119.998 119.800 -0.290 0.000 2.377 803 Q HA 0.681 5.021 4.340 -0.000 0.000 0.271 803 Q C -1.126 174.740 176.000 -0.224 0.000 1.077 803 Q CA -0.753 54.920 55.803 -0.217 0.000 0.820 803 Q CB 2.943 31.594 28.738 -0.145 0.000 1.347 803 Q HN 0.600 nan 8.270 nan 0.000 0.444 804 V N -1.744 118.059 119.914 -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 -1.373 60.836 62.300 -0.152 0.000 1.007 804 V CB 1.395 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 0.055 119.891 119.914 -0.129 0.000 2.694 805 V HA 0.192 4.312 4.120 -0.000 0.000 0.306 805 V C 0.391 176.360 176.094 -0.209 0.000 1.054 805 V CA 0.295 62.472 62.300 -0.206 0.000 1.161 805 V CB 0.207 31.896 31.823 -0.224 0.000 0.916 805 V HN 1.045 nan 8.190 nan 0.000 0.490 806 D N 3.753 124.030 120.400 -0.205 0.000 2.393 806 D HA 0.068 4.708 4.640 -0.000 0.000 0.232 806 D C 1.113 177.260 176.300 -0.254 0.000 1.192 806 D CA -0.349 53.542 54.000 -0.181 0.000 0.882 806 D CB 0.991 41.725 40.800 -0.111 0.000 1.038 806 D HN 0.783 nan 8.370 nan 0.000 0.499 807 D N 1.594 121.733 120.400 -0.434 0.000 2.265 807 D HA -0.201 4.439 4.640 -0.000 0.000 0.208 807 D C 1.343 177.443 176.300 -0.333 0.000 0.977 807 D CA 0.962 54.504 54.000 -0.764 0.000 0.871 807 D CB -0.313 39.951 40.800 -0.894 0.000 0.925 807 D HN 0.456 nan 8.370 nan 0.000 0.485 808 T N -4.211 110.237 114.554 -0.177 0.000 3.069 808 T HA 0.356 4.706 4.350 -0.000 0.000 0.252 808 T C 1.541 176.214 174.700 -0.044 0.000 1.053 808 T CA 0.750 62.801 62.100 -0.082 0.000 0.964 808 T CB 0.306 69.138 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 0.332 4.652 4.320 -0.000 0.000 0.211 809 K C 0.228 176.859 176.600 0.052 0.000 1.259 809 K CA -0.235 56.051 56.287 -0.001 0.000 0.983 809 K CB -0.310 32.185 32.500 -0.008 0.000 1.054 809 K HN 0.499 nan 8.250 nan 0.000 0.572 810 Y N 3.259 123.505 120.300 -0.090 0.000 2.585 810 Y HA 0.369 4.919 4.550 -0.000 0.000 0.354 810 Y C 1.682 177.574 175.900 -0.014 0.000 1.024 810 Y CA -0.199 57.855 58.100 -0.075 0.000 1.321 810 Y CB 0.352 38.727 38.460 -0.142 0.000 1.151 810 Y HN 0.332 nan 8.280 nan 0.000 0.525 811 K N 2.984 123.216 120.400 -0.279 0.000 2.077 811 K HA -0.227 4.093 4.320 -0.000 0.000 0.213 811 K C 1.061 177.428 176.600 -0.390 0.000 1.051 811 K CA 2.525 58.646 56.287 -0.278 0.000 0.929 811 K CB -0.727 31.657 32.500 -0.195 0.000 0.715 811 K HN 0.804 nan 8.250 nan 0.000 0.451 812 D N -1.563 118.344 120.400 -0.822 0.000 2.319 812 D HA 0.057 4.697 4.640 -0.000 0.000 0.230 812 D C 0.095 176.202 176.300 -0.322 0.000 1.094 812 D CA -0.390 53.278 54.000 -0.553 0.000 0.856 812 D CB -0.626 39.917 40.800 -0.429 0.000 0.915 812 D HN 0.555 nan 8.370 nan 0.000 0.517 813 Y N 2.352 122.427 120.300 -0.376 0.000 2.904 813 Y HA -0.078 4.472 4.550 -0.000 0.000 0.336 813 Y C 0.074 176.051 175.900 0.129 0.000 1.263 813 Y CA 0.567 58.687 58.100 0.033 0.000 1.547 813 Y CB 0.366 38.864 38.460 0.063 0.000 1.272 813 Y HN -0.169 nan 8.280 nan 0.000 0.596 814 Q N 5.429 124.849 119.800 -0.633 0.000 2.274 814 Q HA 0.134 4.474 4.340 -0.000 0.000 0.268 814 Q C -1.389 174.197 176.000 -0.690 0.000 1.015 814 Q CA -0.736 54.771 55.803 -0.494 0.000 0.775 814 Q CB 1.895 30.579 28.738 -0.089 0.000 1.256 814 Q HN 0.808 nan 8.270 nan 0.000 0.442 815 Q N 2.262 121.748 119.800 -0.523 0.000 2.452 815 Q HA 0.346 4.686 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 -0.061 55.647 55.803 -0.158 0.000 0.914 815 Q CB 0.259 29.049 28.738 0.087 0.000 1.408 815 Q HN 0.309 nan 8.270 nan 0.000 0.520 816 V N 3.526 123.445 119.914 0.009 0.000 2.370 816 V HA 0.632 4.752 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 61.771 62.300 0.009 0.000 0.857 816 V CB 1.285 33.093 31.823 -0.026 0.000 0.985 816 V HN 0.789 nan 8.190 nan 0.000 0.443 817 G N 2.588 111.384 108.800 -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 -0.539 44.524 45.100 -0.062 0.000 0.986 817 G HN 0.736 nan 8.290 nan 0.000 0.494 818 I N -0.669 119.806 120.570 -0.158 0.000 2.194 818 I HA -0.204 3.966 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 1.176 62.374 61.300 -0.170 0.000 1.355 818 I CB -0.812 37.116 38.000 -0.120 0.000 1.046 818 I HN 0.336 nan 8.210 nan 0.000 0.413 819 L N -0.142 120.936 121.223 -0.241 0.000 2.197 819 L HA -0.250 4.090 4.340 -0.000 0.000 0.215 819 L C 1.746 178.352 176.870 -0.439 0.000 1.095 819 L CA 1.831 56.450 54.840 -0.369 0.000 0.764 819 L CB -0.794 40.931 42.059 -0.557 0.000 0.897 819 L HN 0.496 nan 8.230 nan 0.000 0.436 820 H N -2.769 116.324 119.070 0.039 0.000 2.923 820 H HA 0.219 4.775 4.556 -0.000 0.000 0.268 820 H C 0.025 175.347 175.328 -0.010 0.000 1.148 820 H CA -0.419 55.653 56.048 0.041 0.000 1.146 820 H CB 0.479 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 -0.354 175.659 176.000 0.021 0.000 0.915 821 Q CA -0.541 55.169 55.803 -0.155 0.000 0.915 821 Q CB 1.082 29.536 28.738 -0.473 0.000 1.204 821 Q HN 0.513 nan 8.270 nan 0.000 0.421 822 H N 0.979 120.080 119.070 0.051 0.000 2.744 822 H HA 0.528 5.084 4.556 -0.000 0.000 0.339 822 H C -1.433 173.956 175.328 0.101 0.000 1.004 822 H CA -0.902 55.200 56.048 0.091 0.000 1.257 822 H CB 1.309 31.116 29.762 0.076 0.000 1.552 822 H HN 0.488 nan 8.280 nan 0.000 0.522 823 N N 3.558 122.406 118.700 0.247 0.000 2.616 823 N HA 0.096 4.836 4.740 -0.000 0.000 0.281 823 N C -0.566 175.123 175.510 0.297 0.000 1.145 823 N CA -0.244 52.923 53.050 0.195 0.000 0.919 823 N CB 0.866 39.340 38.487 -0.022 0.000 1.509 823 N HN 0.862 nan 8.380 nan 0.000 0.537 824 N N -0.142 118.736 118.700 0.297 0.000 3.003 824 N HA -0.153 4.587 4.740 -0.000 0.000 0.237 824 N C -0.577 175.176 175.510 0.404 0.000 0.969 824 N CA 1.069 54.337 53.050 0.363 0.000 0.941 824 N CB -1.448 37.217 38.487 0.297 0.000 1.098 824 N HN 0.728 nan 8.380 nan 0.000 0.563 825 S N -0.564 115.313 115.700 0.295 0.000 2.558 825 S HA 0.364 4.834 4.470 -0.000 0.000 0.293 825 S C 1.623 176.216 174.600 -0.010 0.000 1.292 825 S CA 1.232 59.517 58.200 0.142 0.000 1.063 825 S CB 1.294 64.542 63.200 0.081 0.000 0.831 825 S HN 1.190 nan 8.310 nan 0.000 0.499 826 G N 2.251 110.945 108.800 -0.177 0.000 2.225 826 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.254 826 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.254 826 G C 0.191 174.653 174.900 -0.731 0.000 0.988 826 G CA 0.403 45.202 45.100 -0.503 0.000 0.625 826 G HN 0.865 nan 8.290 nan 0.000 0.527 827 F N -0.436 119.528 119.950 0.023 0.000 2.767 827 F HA 0.657 5.184 4.527 -0.000 0.000 0.323 827 F C 0.816 176.619 175.800 0.005 0.000 1.091 827 F CA -0.242 57.767 58.000 0.015 0.000 1.192 827 F CB 1.131 40.147 39.000 0.026 0.000 1.056 827 F HN 0.168 nan 8.300 nan 0.000 0.571 828 V N -0.404 119.590 119.914 0.133 0.000 3.040 828 V HA 0.768 4.888 4.120 -0.000 0.000 0.312 828 V C 0.256 176.367 176.094 0.029 0.000 1.115 828 V CA -1.086 61.259 62.300 0.075 0.000 0.998 828 V CB 1.922 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 0.777 109.571 108.800 -0.010 0.000 2.539 829 G HA2 0.326 4.286 3.960 -0.000 0.000 0.258 829 G HA3 0.326 4.286 3.960 -0.000 0.000 0.258 829 G C -1.257 173.679 174.900 0.061 0.000 1.202 829 G CA 0.008 45.100 45.100 -0.014 0.000 0.851 829 G HN 0.650 nan 8.290 nan 0.000 0.556 830 Y N 1.422 121.686 120.300 -0.061 0.000 2.383 830 Y HA 0.373 4.923 4.550 -0.000 0.000 0.344 830 Y C 1.041 176.934 175.900 -0.013 0.000 0.986 830 Y CA -1.004 57.074 58.100 -0.037 0.000 1.175 830 Y CB 0.370 38.799 38.460 -0.052 0.000 1.152 830 Y HN 0.523 nan 8.280 nan 0.000 0.511 831 L N 4.050 125.011 121.223 -0.437 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 0.963 55.590 54.840 -0.354 0.000 0.968 831 L CB -1.950 39.714 42.059 -0.658 0.000 1.933 831 L HN 0.793 nan 8.230 nan 0.000 0.976 832 A N -1.915 120.874 122.820 -0.052 0.000 2.567 832 A HA 0.721 5.041 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 0.932 19.948 19.000 0.026 0.000 1.288 832 A HN -0.130 nan 8.150 nan 0.000 0.424 833 P HA 0.158 nan 4.420 nan 0.000 0.243 833 P C 0.492 177.667 177.300 -0.208 0.000 1.668 833 P CA 0.545 63.453 63.100 -0.320 0.000 0.898 833 P CB -0.670 30.789 31.700 -0.401 0.000 1.637 834 T N -4.041 110.423 114.554 -0.151 0.000 2.902 834 T HA 0.402 4.752 4.350 -0.000 0.000 0.287 834 T C 0.607 175.221 174.700 -0.143 0.000 1.048 834 T CA -1.024 60.989 62.100 -0.145 0.000 0.941 834 T CB 0.367 69.143 68.868 -0.153 0.000 1.432 834 T HN -0.035 nan 8.240 nan 0.000 0.586 835 M N 1.664 121.168 119.600 -0.159 0.000 2.252 835 M HA 0.183 4.663 4.480 -0.000 0.000 0.329 835 M C 0.280 176.513 176.300 -0.112 0.000 1.101 835 M CA -0.587 54.631 55.300 -0.137 0.000 1.117 835 M CB 0.484 32.986 32.600 -0.162 0.000 1.563 835 M HN 0.752 nan 8.290 nan 0.000 0.445 836 R N 2.940 123.392 120.500 -0.081 0.000 2.734 836 R HA 0.280 4.620 4.340 -0.000 0.000 0.266 836 R C -1.008 175.235 176.300 -0.096 0.000 1.044 836 R CA 0.031 56.092 56.100 -0.066 0.000 1.128 836 R CB -0.006 30.271 30.300 -0.039 0.000 1.010 836 R HN 0.738 nan 8.270 nan 0.000 0.461 837 E N -0.572 119.568 120.200 -0.099 0.000 2.439 837 E HA 0.602 4.952 4.350 -0.000 0.000 0.279 837 E C -0.389 176.124 176.600 -0.145 0.000 1.077 837 E CA -1.060 55.267 56.400 -0.121 0.000 0.849 837 E CB 0.811 30.448 29.700 -0.106 0.000 1.408 837 E HN 0.840 nan 8.360 nan 0.000 0.457 838 G N 0.521 109.223 108.800 -0.164 0.000 2.545 838 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.216 838 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.216 838 G C -1.154 173.621 174.900 -0.208 0.000 1.314 838 G CA 0.022 45.011 45.100 -0.185 0.000 0.906 838 G HN 0.950 nan 8.290 nan 0.000 0.563 839 Q N -1.419 118.259 119.800 -0.203 0.000 2.435 839 Q HA 0.760 5.100 4.340 -0.000 0.000 0.282 839 Q C -0.147 175.789 176.000 -0.107 0.000 1.020 839 Q CA -0.446 55.246 55.803 -0.185 0.000 0.820 839 Q CB 1.566 30.236 28.738 -0.114 0.000 1.436 839 Q HN 2.277 nan 8.270 nan 0.000 0.395 840 A N 1.301 124.075 122.820 -0.078 0.000 2.555 840 A HA 0.398 4.718 4.320 -0.000 0.000 0.233 840 A C -1.098 176.643 177.584 0.261 0.000 1.060 840 A CA 0.708 52.830 52.037 0.142 0.000 0.759 840 A CB -0.057 19.073 19.000 0.217 0.000 0.995 840 A HN 0.645 nan 8.150 nan 0.000 0.506 841 Y N 0.381 120.735 120.300 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 -1.260 56.873 58.100 0.056 0.000 1.255 841 Y CB 1.316 39.747 38.460 -0.048 0.000 1.346 841 Y HN 0.635 nan 8.280 nan 0.000 0.481 842 P HA 0.237 nan 4.420 nan 0.000 0.261 842 P C -0.627 176.811 177.300 0.230 0.000 1.183 842 P CA 0.337 63.458 63.100 0.035 0.000 0.761 842 P CB 0.365 32.018 31.700 -0.078 0.000 0.785 843 A N 3.553 126.460 122.820 0.145 0.000 2.466 843 A HA 0.112 4.432 4.320 -0.000 0.000 0.238 843 A C 1.172 178.744 177.584 -0.019 0.000 1.074 843 A CA -0.138 51.959 52.037 0.099 0.000 0.774 843 A CB -0.104 18.892 19.000 -0.006 0.000 1.015 843 A HN 0.704 nan 8.150 nan 0.000 0.498 844 N N -0.069 118.511 118.700 -0.200 0.000 2.177 844 N HA 0.250 4.990 4.740 -0.000 0.000 0.218 844 N C -0.667 174.732 175.510 -0.185 0.000 1.182 844 N CA -0.074 52.832 53.050 -0.240 0.000 0.882 844 N CB 0.313 38.524 38.487 -0.460 0.000 1.052 844 N HN 0.486 nan 8.380 nan 0.000 0.519 845 F N 0.351 120.072 119.950 -0.382 0.000 2.708 845 F HA 0.574 5.101 4.527 -0.000 0.000 0.309 845 F C -2.988 172.528 175.800 -0.474 0.000 1.120 845 F CA -1.353 56.400 58.000 -0.412 0.000 0.978 845 F CB 1.604 40.404 39.000 -0.334 0.000 1.283 845 F HN -0.226 nan 8.300 nan 0.000 0.439 846 P HA 0.285 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 -0.211 62.015 63.100 -1.456 0.000 0.800 846 P CB 0.739 31.748 31.700 -1.151 0.000 1.188 847 Y N -0.076 119.952 120.300 -0.453 0.000 2.425 847 Y HA 0.217 4.767 4.550 -0.000 0.000 0.331 847 Y C -1.365 174.395 175.900 -0.233 0.000 1.157 847 Y CA -1.412 56.537 58.100 -0.251 0.000 1.372 847 Y CB -0.868 37.471 38.460 -0.201 0.000 1.253 847 Y HN 0.205 nan 8.280 nan 0.000 0.536 848 P HA 0.144 nan 4.420 nan 0.000 0.276 848 P C -0.051 177.202 177.300 -0.078 0.000 1.253 848 P CA 0.126 63.198 63.100 -0.047 0.000 0.766 848 P CB 0.743 32.425 31.700 -0.030 0.000 0.845 849 L N 2.899 124.074 121.223 -0.079 0.000 2.640 849 L HA 0.250 4.590 4.340 -0.000 0.000 0.230 849 L C 1.069 177.895 176.870 -0.073 0.000 1.123 849 L CA 0.117 54.901 54.840 -0.093 0.000 0.900 849 L CB -0.178 41.825 42.059 -0.092 0.000 1.146 849 L HN 0.391 nan 8.230 nan 0.000 0.484 850 I N -4.012 116.524 120.570 -0.056 0.000 3.206 850 I HA 0.952 5.122 4.170 -0.000 0.000 0.313 850 I C 0.353 176.450 176.117 -0.034 0.000 1.103 850 I CA -0.693 60.582 61.300 -0.042 0.000 0.985 850 I CB 1.699 39.680 38.000 -0.032 0.000 1.240 850 I HN -0.026 nan 8.210 nan 0.000 0.464 851 G N 2.087 110.872 108.800 -0.025 0.000 2.685 851 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.387 851 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.387 851 G C -0.056 174.834 174.900 -0.015 0.000 1.324 851 G CA -0.058 45.031 45.100 -0.018 0.000 0.878 851 G HN 0.867 nan 8.290 nan 0.000 0.527 852 K N -0.867 119.529 120.400 -0.008 0.000 2.486 852 K HA 0.087 4.407 4.320 -0.000 0.000 0.194 852 K C 1.853 178.455 176.600 0.002 0.000 1.033 852 K CA 1.355 57.640 56.287 -0.003 0.000 1.004 852 K CB 0.090 32.591 32.500 0.001 0.000 0.798 852 K HN 0.367 nan 8.250 nan 0.000 0.495 853 T N 0.590 115.145 114.554 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 -0.011 0.000 1.019 853 T CA -0.244 61.863 62.100 0.012 0.000 0.921 853 T CB 0.272 69.156 68.868 0.025 0.000 1.053 853 T HN 0.219 nan 8.240 nan 0.000 0.533 854 A N 1.935 124.732 122.820 -0.038 0.000 2.609 854 A HA 0.329 4.649 4.320 -0.000 0.000 0.232 854 A C 0.769 178.269 177.584 -0.139 0.000 1.041 854 A CA -0.071 51.916 52.037 -0.084 0.000 0.753 854 A CB -0.187 18.769 19.000 -0.073 0.000 0.966 854 A HN 0.478 nan 8.150 nan 0.000 0.510 855 V N 0.786 120.528 119.914 -0.286 0.000 2.953 855 V HA 0.309 4.429 4.120 -0.000 0.000 0.304 855 V C 0.213 176.111 176.094 -0.326 0.000 1.073 855 V CA -1.169 60.807 62.300 -0.540 0.000 1.064 855 V CB 0.729 31.841 31.823 -1.185 0.000 1.047 855 V HN 0.791 nan 8.190 nan 0.000 0.478 856 D N 2.724 122.987 120.400 -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 0.682 54.619 54.000 -0.105 0.000 0.876 856 D CB 1.038 41.840 40.800 0.004 0.000 1.161 856 D HN 0.958 nan 8.370 nan 0.000 0.478 857 S N 1.668 117.292 115.700 -0.125 0.000 2.726 857 S HA 0.740 5.210 4.470 -0.000 0.000 0.308 857 S C -0.482 174.057 174.600 -0.101 0.000 1.115 857 S CA -0.873 57.248 58.200 -0.131 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 0.523 121.028 120.570 -0.107 0.000 2.647 858 I HA 0.493 4.663 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 61.178 61.300 -0.088 0.000 1.048 858 I CB 2.388 40.336 38.000 -0.086 0.000 1.239 858 I HN 0.872 nan 8.210 nan 0.000 0.421 859 T N 5.793 120.305 114.554 -0.069 0.000 2.837 859 T HA 0.538 4.888 4.350 -0.000 0.000 0.285 859 T C -0.630 174.043 174.700 -0.046 0.000 0.984 859 T CA -0.558 61.502 62.100 -0.067 0.000 1.049 859 T CB 0.858 69.703 68.868 -0.037 0.000 0.947 859 T HN 0.432 nan 8.240 nan 0.000 0.472 860 Q N 1.987 121.745 119.800 -0.069 0.000 2.321 860 Q HA 0.486 4.826 4.340 -0.000 0.000 0.270 860 Q C -0.975 175.122 176.000 0.161 0.000 1.032 860 Q CA -0.871 54.940 55.803 0.014 0.000 0.784 860 Q CB 2.343 31.048 28.738 -0.056 0.000 1.264 860 Q HN 0.506 nan 8.270 nan 0.000 0.448 861 K N 2.178 122.720 120.400 0.237 0.000 2.371 861 K HA 0.638 4.958 4.320 -0.000 0.000 0.251 861 K C -0.769 175.992 176.600 0.268 0.000 0.934 861 K CA -0.903 55.554 56.287 0.282 0.000 0.798 861 K CB 2.336 34.952 32.500 0.193 0.000 1.204 861 K HN 0.559 nan 8.250 nan 0.000 0.427 862 K N 0.470 121.004 120.400 0.224 0.000 2.491 862 K HA 0.596 4.916 4.320 -0.000 0.000 0.275 862 K C -1.495 175.203 176.600 0.163 0.000 0.982 862 K CA -0.993 55.359 56.287 0.109 0.000 0.794 862 K CB 1.222 33.664 32.500 -0.096 0.000 1.488 862 K HN 0.529 nan 8.250 nan 0.000 0.360 863 F N -1.330 118.610 119.950 -0.016 0.000 2.744 863 F HA 0.649 5.176 4.527 0.000 0.000 0.311 863 F C -2.376 173.421 175.800 -0.005 0.000 1.144 863 F CA -1.240 56.740 58.000 -0.033 0.000 0.938 863 F CB 0.873 39.937 39.000 0.107 0.000 1.292 863 F HN 0.313 nan 8.300 nan 0.000 0.444 864 L N 2.024 123.346 121.223 0.165 0.000 2.333 864 L HA 0.713 5.053 4.340 -0.000 0.000 0.269 864 L C -0.631 176.497 176.870 0.431 0.000 1.010 864 L CA -0.835 54.079 54.840 0.123 0.000 0.818 864 L CB 1.799 43.824 42.059 -0.056 0.000 1.306 864 L HN 1.030 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 -0.435 174.709 174.990 0.255 0.000 1.229 865 C CA -0.848 58.407 59.018 0.394 0.000 1.109 865 C CB -1.016 27.067 27.740 0.572 0.000 1.833 865 C HN 0.785 nan 8.230 nan 0.000 0.626 866 D N 1.548 122.123 120.400 0.291 0.000 2.354 866 D HA 0.103 4.743 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 0.372 54.595 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 -1.387 119.393 120.500 0.466 0.000 3.358 867 R HA -0.248 4.092 4.340 -0.000 0.000 0.248 867 R C -0.916 175.659 176.300 0.459 0.000 0.981 867 R CA 0.978 57.358 56.100 0.467 0.000 0.662 867 R CB -2.374 28.178 30.300 0.420 0.000 1.037 867 R HN 0.385 nan 8.270 nan 0.000 0.460 868 T N -0.174 114.581 114.554 0.335 0.000 2.816 868 T HA 0.684 5.034 4.350 -0.000 0.000 0.299 868 T C -1.062 173.575 174.700 -0.106 0.000 1.230 868 T CA -0.808 61.391 62.100 0.165 0.000 1.007 868 T CB 1.304 70.232 68.868 0.100 0.000 1.289 868 T HN 0.271 nan 8.240 nan 0.000 0.508 869 L N 1.834 122.930 121.223 -0.212 0.000 2.346 869 L HA 0.557 4.897 4.340 -0.000 0.000 0.276 869 L C -0.586 176.041 176.870 -0.404 0.000 1.006 869 L CA -0.926 53.649 54.840 -0.442 0.000 0.817 869 L CB 1.675 43.499 42.059 -0.390 0.000 1.272 869 L HN 0.702 nan 8.230 nan 0.000 0.421 870 W N 2.835 123.790 121.300 -0.576 0.000 2.181 870 W HA 0.326 4.986 4.660 -0.000 0.000 0.335 870 W C 0.292 176.440 176.519 -0.619 0.000 1.310 870 W CA -0.477 56.478 57.345 -0.649 0.000 1.226 870 W CB 0.607 29.349 29.460 -1.198 0.000 1.155 870 W HN 0.302 nan 8.180 nan 0.000 0.565 871 R N 3.249 123.643 120.500 -0.177 0.000 2.686 871 R HA 0.589 4.929 4.340 -0.000 0.000 0.286 871 R C -0.935 175.241 176.300 -0.206 0.000 0.969 871 R CA -0.950 55.034 56.100 -0.193 0.000 0.898 871 R CB 1.852 32.019 30.300 -0.221 0.000 1.183 871 R HN 0.425 nan 8.270 nan 0.000 0.456 872 I N 3.662 124.237 120.570 0.008 0.000 2.583 872 I HA 0.272 4.442 4.170 -0.000 0.000 0.276 872 I C -2.433 173.892 176.117 0.348 0.000 1.089 872 I CA -2.193 59.181 61.300 0.123 0.000 1.103 872 I CB 1.869 39.934 38.000 0.108 0.000 1.209 872 I HN 0.238 nan 8.210 nan 0.000 0.484 873 P HA 0.078 nan 4.420 nan 0.000 0.275 873 P C -0.335 177.226 177.300 0.434 0.000 1.227 873 P CA -0.217 63.022 63.100 0.231 0.000 0.781 873 P CB 0.660 32.460 31.700 0.166 0.000 0.906 874 F N 2.306 122.208 119.950 -0.080 0.000 2.669 874 F HA 0.294 4.821 4.527 -0.000 0.000 0.353 874 F C 0.397 176.227 175.800 0.050 0.000 1.192 874 F CA -0.147 57.791 58.000 -0.104 0.000 1.317 874 F CB -0.563 38.124 39.000 -0.522 0.000 1.652 874 F HN 0.088 nan 8.300 nan 0.000 0.608 875 S N 0.261 116.038 115.700 0.129 0.000 2.521 875 S HA 0.325 4.795 4.470 -0.000 0.000 0.295 875 S C 1.073 175.616 174.600 -0.095 0.000 1.098 875 S CA -0.043 58.153 58.200 -0.007 0.000 0.999 875 S CB 1.272 64.494 63.200 0.036 0.000 1.034 875 S HN 0.474 nan 8.310 nan 0.000 0.483 876 S N 3.550 119.162 115.700 -0.146 0.000 2.407 876 S HA -0.206 4.264 4.470 -0.000 0.000 0.235 876 S C 0.964 175.367 174.600 -0.330 0.000 1.036 876 S CA 1.899 59.972 58.200 -0.212 0.000 1.013 876 S CB -0.732 62.379 63.200 -0.148 0.000 0.820 876 S HN 0.912 nan 8.310 nan 0.000 0.476 877 N N -0.780 117.781 118.700 -0.232 0.000 2.238 877 N HA 0.220 4.960 4.740 -0.000 0.000 0.235 877 N C -0.013 175.524 175.510 0.045 0.000 1.209 877 N CA -0.365 52.600 53.050 -0.142 0.000 0.879 877 N CB -0.680 37.792 38.487 -0.025 0.000 1.136 877 N HN 0.278 nan 8.380 nan 0.000 0.517 878 F N -1.369 118.646 119.950 0.108 0.000 2.825 878 F HA -0.294 4.233 4.527 0.000 0.000 0.358 878 F C 0.452 176.266 175.800 0.024 0.000 0.639 878 F CA 0.618 58.666 58.000 0.079 0.000 1.153 878 F CB -2.049 36.974 39.000 0.037 0.000 1.610 878 F HN 0.121 nan 8.300 nan 0.000 0.305 879 M N -0.277 119.427 119.600 0.175 0.000 2.283 879 M HA 0.371 4.851 4.480 -0.000 0.000 0.314 879 M C 0.683 177.014 176.300 0.051 0.000 1.153 879 M CA -0.101 55.260 55.300 0.102 0.000 1.084 879 M CB 0.806 33.476 32.600 0.118 0.000 1.468 879 M HN -0.060 nan 8.290 nan 0.000 0.474 880 S N 2.038 117.752 115.700 0.022 0.000 2.399 880 S HA 0.402 4.872 4.470 -0.000 0.000 0.301 880 S C 0.224 174.832 174.600 0.013 0.000 1.093 880 S CA -0.452 57.750 58.200 0.002 0.000 1.077 880 S CB 0.175 63.362 63.200 -0.021 0.000 0.980 880 S HN 0.650 nan 8.310 nan 0.000 0.494 881 M N 2.264 121.872 119.600 0.012 0.000 2.416 881 M HA 0.329 4.809 4.480 -0.000 0.000 0.337 881 M C 0.606 176.915 176.300 0.015 0.000 1.074 881 M CA -0.193 55.116 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 0.815 nan 8.290 nan 0.000 0.539 882 G N -0.189 108.619 108.800 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 0.093 175.015 174.900 0.037 0.000 1.603 882 G CA -0.509 44.607 45.100 0.026 0.000 0.961 882 G HN 0.081 nan 8.290 nan 0.000 0.686 883 A N 0.284 123.139 122.820 0.058 0.000 1.892 883 A HA 0.112 4.432 4.320 -0.000 0.000 0.218 883 A C 1.651 179.376 177.584 0.235 0.000 1.188 883 A CA 2.193 54.279 52.037 0.081 0.000 0.631 883 A CB -0.296 18.787 19.000 0.138 0.000 0.822 883 A HN 1.810 nan 8.150 nan 0.000 0.447 884 L N 2.108 123.502 121.223 0.286 0.000 2.334 884 L HA 0.311 4.651 4.340 -0.000 0.000 0.286 884 L C 0.862 177.808 176.870 0.127 0.000 1.108 884 L CA 0.276 55.274 54.840 0.263 0.000 0.875 884 L CB -0.303 41.801 42.059 0.075 0.000 1.246 884 L HN 0.409 nan 8.230 nan 0.000 0.439 885 T N -0.030 114.595 114.554 0.118 0.000 2.795 885 T HA 0.040 4.390 4.350 -0.000 0.000 0.314 885 T C 1.126 175.848 174.700 0.037 0.000 1.069 885 T CA 0.251 62.383 62.100 0.053 0.000 1.071 885 T CB 0.545 69.430 68.868 0.029 0.000 0.988 885 T HN 0.710 nan 8.240 nan 0.000 0.543 886 D N 1.509 121.906 120.400 -0.004 0.000 2.117 886 D HA -0.123 4.517 4.640 -0.000 0.000 0.198 886 D C 2.075 178.364 176.300 -0.019 0.000 0.982 886 D CA 1.186 55.179 54.000 -0.012 0.000 0.828 886 D CB -0.578 40.204 40.800 -0.030 0.000 0.967 886 D HN 0.568 nan 8.370 nan 0.000 0.464 887 L N 0.364 121.523 121.223 -0.107 0.000 2.072 887 L HA 0.075 4.415 4.340 -0.000 0.000 0.205 887 L C 2.707 179.592 176.870 0.024 0.000 1.079 887 L CA 1.303 56.017 54.840 -0.210 0.000 0.752 887 L CB -0.821 40.697 42.059 -0.903 0.000 0.906 887 L HN 0.213 nan 8.230 nan 0.000 0.436 888 G N -0.188 108.693 108.800 0.135 0.000 2.501 888 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.220 888 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.220 888 G C 1.343 176.373 174.900 0.217 0.000 1.114 888 G CA 0.692 45.961 45.100 0.283 0.000 0.757 888 G HN 0.601 nan 8.290 nan 0.000 0.559 889 Q N -0.222 119.667 119.800 0.148 0.000 2.194 889 Q HA 0.136 4.476 4.340 -0.000 0.000 0.214 889 Q C 0.268 176.340 176.000 0.120 0.000 0.838 889 Q CA -0.599 55.273 55.803 0.115 0.000 0.972 889 Q CB -0.034 28.741 28.738 0.062 0.000 1.131 889 Q HN 0.245 nan 8.270 nan 0.000 0.498 890 N N 1.627 120.431 118.700 0.174 0.000 2.492 890 N HA 0.017 4.757 4.740 -0.000 0.000 0.262 890 N C 1.011 176.603 175.510 0.136 0.000 1.202 890 N CA 0.081 53.225 53.050 0.157 0.000 0.926 890 N CB 0.892 39.514 38.487 0.225 0.000 1.078 890 N HN 0.333 nan 8.380 nan 0.000 0.454 891 L N 3.057 124.317 121.223 0.062 0.000 2.081 891 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 891 L C 2.197 179.076 176.870 0.015 0.000 1.080 891 L CA 1.146 56.010 54.840 0.041 0.000 0.754 891 L CB -0.409 41.660 42.059 0.017 0.000 0.893 891 L HN 0.626 nan 8.230 nan 0.000 0.433 892 L N -1.842 119.337 121.223 -0.074 0.000 2.265 892 L HA -0.204 4.136 4.340 -0.000 0.000 0.215 892 L C 1.860 178.546 176.870 -0.305 0.000 1.117 892 L CA 1.755 56.462 54.840 -0.223 0.000 0.782 892 L CB -0.717 41.112 42.059 -0.384 0.000 0.914 892 L HN 0.096 nan 8.230 nan 0.000 0.441 893 Y N -0.826 119.514 120.300 0.067 0.000 2.462 893 Y HA 0.464 5.014 4.550 -0.000 0.000 0.261 893 Y C 2.248 178.259 175.900 0.185 0.000 1.146 893 Y CA 0.305 58.470 58.100 0.108 0.000 1.283 893 Y CB -0.178 38.356 38.460 0.122 0.000 1.090 893 Y HN 0.283 nan 8.280 nan 0.000 0.526 894 A N -0.136 122.821 122.820 0.227 0.000 1.963 894 A HA 0.029 4.349 4.320 -0.000 0.000 0.207 894 A C 1.599 179.252 177.584 0.115 0.000 1.243 894 A CA 0.541 52.676 52.037 0.165 0.000 0.728 894 A CB -0.259 18.814 19.000 0.121 0.000 0.895 894 A HN 0.211 nan 8.150 nan 0.000 0.467 895 N N 0.850 119.603 118.700 0.089 0.000 2.573 895 N HA -0.003 4.737 4.740 -0.000 0.000 0.187 895 N C 0.095 175.636 175.510 0.052 0.000 1.107 895 N CA 1.023 54.105 53.050 0.055 0.000 0.918 895 N CB -0.055 38.451 38.487 0.032 0.000 0.966 895 N HN 0.593 nan 8.380 nan 0.000 0.448 896 S N -2.284 113.474 115.700 0.096 0.000 2.587 896 S HA 0.733 5.203 4.470 -0.000 0.000 0.269 896 S C -1.172 173.489 174.600 0.101 0.000 1.154 896 S CA -1.070 57.153 58.200 0.038 0.000 0.824 896 S CB 1.476 64.635 63.200 -0.068 0.000 1.118 896 S HN 0.083 nan 8.310 nan 0.000 0.462 897 A N 1.404 124.213 122.820 -0.018 0.000 2.304 897 A HA 0.774 5.094 4.320 -0.000 0.000 0.301 897 A C -0.296 177.230 177.584 -0.095 0.000 1.132 897 A CA -0.448 51.635 52.037 0.077 0.000 0.819 897 A CB 0.272 19.288 19.000 0.027 0.000 1.094 897 A HN 0.835 nan 8.150 nan 0.000 0.492 898 H N -0.277 119.026 119.070 0.389 0.000 2.895 898 H HA 0.611 5.167 4.556 -0.000 0.000 0.373 898 H C -0.258 175.375 175.328 0.509 0.000 1.174 898 H CA -0.217 56.070 56.048 0.399 0.000 1.144 898 H CB 2.225 32.205 29.762 0.363 0.000 1.793 898 H HN 0.875 nan 8.280 nan 0.000 0.551 899 A N 1.873 124.963 122.820 0.450 0.000 2.306 899 A HA 0.571 4.891 4.320 -0.000 0.000 0.330 899 A C -0.994 176.727 177.584 0.228 0.000 1.146 899 A CA -0.538 51.694 52.037 0.325 0.000 0.827 899 A CB 1.024 20.135 19.000 0.185 0.000 1.178 899 A HN 0.440 nan 8.150 nan 0.000 0.490 900 L N 1.193 122.498 121.223 0.137 0.000 2.408 900 L HA 0.623 4.963 4.340 -0.000 0.000 0.268 900 L C -1.606 175.227 176.870 -0.062 0.000 0.986 900 L CA -0.194 54.557 54.840 -0.149 0.000 0.820 900 L CB 2.186 44.035 42.059 -0.349 0.000 1.303 900 L HN 0.673 nan 8.230 nan 0.000 0.411 901 D N 6.360 126.671 120.400 -0.148 0.000 2.505 901 D HA 0.509 5.149 4.640 -0.000 0.000 0.249 901 D C -0.870 175.329 176.300 -0.167 0.000 1.082 901 D CA -0.209 53.735 54.000 -0.093 0.000 0.839 901 D CB 2.324 43.092 40.800 -0.053 0.000 1.317 901 D HN 0.496 nan 8.370 nan 0.000 0.497 902 M N 0.985 120.496 119.600 -0.148 0.000 2.464 902 M HA 0.332 4.812 4.480 -0.000 0.000 0.308 902 M C -0.841 175.324 176.300 -0.224 0.000 1.127 902 M CA -0.568 54.572 55.300 -0.267 0.000 0.913 902 M CB 2.663 35.105 32.600 -0.263 0.000 1.689 902 M HN 0.072 nan 8.290 nan 0.000 0.445 903 T N 2.770 117.114 114.554 -0.349 0.000 2.906 903 T HA 0.585 4.935 4.350 -0.000 0.000 0.302 903 T C -1.025 173.473 174.700 -0.337 0.000 1.002 903 T CA -0.388 61.581 62.100 -0.219 0.000 0.988 903 T CB 0.479 69.269 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 0.494 5.021 4.527 -0.000 0.000 0.333 904 F C 0.914 176.676 175.800 -0.064 0.000 1.095 904 F CA -0.909 57.031 58.000 -0.100 0.000 1.038 904 F CB 1.363 40.323 39.000 -0.067 0.000 1.156 904 F HN 0.410 nan 8.300 nan 0.000 0.483 905 E N 2.661 122.939 120.200 0.130 0.000 2.185 905 E HA 0.552 4.902 4.350 -0.000 0.000 0.261 905 E C -1.364 175.253 176.600 0.029 0.000 0.879 905 E CA -0.620 55.809 56.400 0.050 0.000 0.756 905 E CB 1.833 31.539 29.700 0.009 0.000 1.152 905 E HN 0.518 nan 8.360 nan 0.000 0.416 906 V N 0.514 120.398 119.914 -0.050 0.000 3.074 906 V HA 0.538 4.658 4.120 -0.000 0.000 0.314 906 V C -0.339 175.690 176.094 -0.108 0.000 1.117 906 V CA -1.060 61.144 62.300 -0.159 0.000 1.014 906 V CB 1.989 33.607 31.823 -0.342 0.000 1.057 906 V HN 0.454 nan 8.190 nan 0.000 0.438 907 D N 2.614 122.941 120.400 -0.122 0.000 2.372 907 D HA 0.394 5.034 4.640 -0.000 0.000 0.243 907 D C -2.511 173.747 176.300 -0.070 0.000 1.121 907 D CA -0.822 53.138 54.000 -0.067 0.000 0.898 907 D CB 1.158 41.930 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 -0.487 176.804 177.300 -0.015 0.000 1.239 908 P CA -0.190 62.895 63.100 -0.026 0.000 0.789 908 P CB 0.730 32.426 31.700 -0.007 0.000 0.933 909 M N 1.929 121.518 119.600 -0.018 0.000 2.395 909 M HA 0.190 4.670 4.480 -0.000 0.000 0.307 909 M C 0.246 176.551 176.300 0.007 0.000 1.091 909 M CA -0.652 54.647 55.300 -0.001 0.000 0.919 909 M CB 2.070 34.661 32.600 -0.014 0.000 1.662 909 M HN 0.246 nan 8.290 nan 0.000 0.440 910 D N 0.663 121.077 120.400 0.023 0.000 2.355 910 D HA -0.040 4.600 4.640 -0.000 0.000 0.253 910 D C -0.222 176.087 176.300 0.015 0.000 1.187 910 D CA 0.263 54.276 54.000 0.022 0.000 0.900 910 D CB -0.118 40.702 40.800 0.033 0.000 0.915 910 D HN 0.683 nan 8.370 nan 0.000 0.516 911 E N -1.455 118.751 120.200 0.009 0.000 2.390 911 E HA 0.452 4.802 4.350 -0.000 0.000 0.277 911 E C -3.180 173.417 176.600 -0.005 0.000 0.939 911 E CA -2.557 53.845 56.400 0.004 0.000 0.769 911 E CB 1.524 31.230 29.700 0.011 0.000 1.251 911 E HN -0.232 nan 8.360 nan 0.000 0.450 912 P HA 0.045 nan 4.420 nan 0.000 0.267 912 P C -0.439 176.853 177.300 -0.015 0.000 1.205 912 P CA 0.283 63.375 63.100 -0.013 0.000 0.765 912 P CB 0.766 32.456 31.700 -0.017 0.000 0.828 913 T N 0.747 115.290 114.554 -0.017 0.000 2.742 913 T HA 0.800 5.150 4.350 -0.000 0.000 0.282 913 T C -0.680 174.015 174.700 -0.008 0.000 1.025 913 T CA -0.887 61.201 62.100 -0.019 0.000 1.020 913 T CB 0.907 69.751 68.868 -0.040 0.000 1.317 913 T HN 0.150 nan 8.240 nan 0.000 0.538 914 L N 0.638 121.865 121.223 0.006 0.000 2.422 914 L HA 0.621 4.961 4.340 -0.000 0.000 0.264 914 L C -1.311 175.607 176.870 0.081 0.000 0.984 914 L CA -1.243 53.619 54.840 0.038 0.000 0.819 914 L CB 2.261 44.333 42.059 0.022 0.000 1.330 914 L HN 0.654 nan 8.230 nan 0.000 0.410 915 L N 2.851 124.142 121.223 0.112 0.000 2.255 915 L HA 0.393 4.733 4.340 -0.000 0.000 0.289 915 L C -1.103 175.926 176.870 0.265 0.000 1.046 915 L CA -0.097 54.816 54.840 0.122 0.000 0.816 915 L CB 0.563 42.584 42.059 -0.062 0.000 1.197 915 L HN 0.432 nan 8.230 nan 0.000 0.427 916 Y N 6.059 126.431 120.300 0.121 0.000 2.404 916 Y HA 0.566 5.116 4.550 -0.000 0.000 0.344 916 Y C -1.056 174.923 175.900 0.132 0.000 0.970 916 Y CA -1.287 56.897 58.100 0.139 0.000 1.180 916 Y CB 0.868 39.414 38.460 0.143 0.000 1.138 916 Y HN 0.357 nan 8.280 nan 0.000 0.510 917 V N 7.668 127.784 119.914 0.337 0.000 2.417 917 V HA 0.363 4.483 4.120 -0.000 0.000 0.291 917 V C -0.248 175.860 176.094 0.023 0.000 1.024 917 V CA -1.004 61.351 62.300 0.092 0.000 0.861 917 V CB 1.624 33.528 31.823 0.135 0.000 0.985 917 V HN 0.576 nan 8.190 nan 0.000 0.436 918 L N 4.933 126.043 121.223 -0.189 0.000 2.265 918 L HA 0.528 4.868 4.340 -0.000 0.000 0.289 918 L C -0.894 175.879 176.870 -0.162 0.000 1.033 918 L CA -0.089 54.670 54.840 -0.135 0.000 0.814 918 L CB 1.115 43.034 42.059 -0.232 0.000 1.203 918 L HN 0.524 nan 8.230 nan 0.000 0.423 919 F N 1.838 121.755 119.950 -0.055 0.000 2.335 919 F HA 0.223 4.750 4.527 -0.000 0.000 0.365 919 F C 0.974 176.694 175.800 -0.133 0.000 1.122 919 F CA -0.599 57.360 58.000 -0.068 0.000 1.151 919 F CB 0.674 39.461 39.000 -0.354 0.000 1.282 919 F HN 0.446 nan 8.300 nan 0.000 0.513 920 E N 3.586 123.717 120.200 -0.115 0.000 2.351 920 E HA 0.344 4.694 4.350 -0.000 0.000 0.266 920 E C -0.052 176.418 176.600 -0.217 0.000 1.031 920 E CA -0.216 56.029 56.400 -0.259 0.000 0.911 920 E CB 0.886 30.351 29.700 -0.392 0.000 0.986 920 E HN 0.485 nan 8.360 nan 0.000 0.446 921 V N -0.083 119.715 119.914 -0.194 0.000 3.065 921 V HA 0.562 4.682 4.120 -0.000 0.000 0.312 921 V C -1.343 174.565 176.094 -0.309 0.000 1.412 921 V CA -1.157 61.087 62.300 -0.093 0.000 1.039 921 V CB 1.090 32.982 31.823 0.116 0.000 1.077 921 V HN 0.413 nan 8.190 nan 0.000 0.473 922 F N 1.204 121.149 119.950 -0.008 0.000 2.411 922 F HA 0.694 5.221 4.527 0.000 0.000 0.352 922 F C -0.062 175.730 175.800 -0.013 0.000 1.123 922 F CA -0.181 57.801 58.000 -0.029 0.000 1.044 922 F CB 1.290 40.286 39.000 -0.007 0.000 1.135 922 F HN 0.576 nan 8.300 nan 0.000 0.461 923 D N 3.981 124.404 120.400 0.038 0.000 2.438 923 D HA 0.473 5.113 4.640 -0.000 0.000 0.257 923 D C -1.081 175.214 176.300 -0.008 0.000 1.148 923 D CA 0.024 54.020 54.000 -0.007 0.000 0.902 923 D CB 1.105 41.784 40.800 -0.201 0.000 1.062 923 D HN 0.186 nan 8.370 nan 0.000 0.518 924 V N 2.191 122.229 119.914 0.207 0.000 3.001 924 V HA 0.673 4.793 4.120 -0.000 0.000 0.314 924 V C -0.101 176.157 176.094 0.272 0.000 1.099 924 V CA -0.852 61.607 62.300 0.264 0.000 0.989 924 V CB 2.359 34.286 31.823 0.174 0.000 1.040 924 V HN 0.255 nan 8.190 nan 0.000 0.434 925 V N 1.809 121.835 119.914 0.188 0.000 2.841 925 V HA 0.636 4.756 4.120 -0.000 0.000 0.310 925 V C -0.518 175.551 176.094 -0.041 0.000 1.090 925 V CA -0.848 61.388 62.300 -0.106 0.000 0.930 925 V CB 2.112 33.691 31.823 -0.407 0.000 1.014 925 V HN 0.848 nan 8.190 nan 0.000 0.425 926 R N 1.971 122.421 120.500 -0.084 0.000 2.439 926 R HA 0.727 5.067 4.340 -0.000 0.000 0.310 926 R C -1.750 174.542 176.300 -0.014 0.000 0.955 926 R CA -0.367 55.708 56.100 -0.041 0.000 0.853 926 R CB 1.998 32.280 30.300 -0.030 0.000 1.171 926 R HN 0.629 nan 8.270 nan 0.000 0.449 927 V N 4.676 124.607 119.914 0.028 0.000 2.394 927 V HA 0.293 4.413 4.120 -0.000 0.000 0.282 927 V C 0.049 176.216 176.094 0.122 0.000 1.031 927 V CA -0.617 61.728 62.300 0.076 0.000 0.881 927 V CB 1.216 33.104 31.823 0.108 0.000 0.982 927 V HN 0.667 nan 8.190 nan 0.000 0.451 928 H N 5.515 124.594 119.070 0.014 0.000 2.466 928 H HA 0.553 5.109 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 -0.829 55.224 56.048 0.010 0.000 1.207 928 H CB 1.370 31.137 29.762 0.008 0.000 1.466 928 H HN 0.570 nan 8.280 nan 0.000 0.493 929 R N 5.891 126.170 120.500 -0.368 0.000 2.738 929 R HA 0.186 4.526 4.340 -0.000 0.000 0.280 929 R C -1.995 174.070 176.300 -0.392 0.000 1.456 929 R CA -1.695 54.254 56.100 -0.252 0.000 1.612 929 R CB 0.485 30.739 30.300 -0.076 0.000 1.286 929 R HN 0.501 nan 8.270 nan 0.000 0.660 930 P HA -0.147 nan 4.420 nan 0.000 0.216 930 P C -0.519 176.345 177.300 -0.727 0.000 1.153 930 P CA 1.507 64.201 63.100 -0.677 0.000 0.858 930 P CB 0.268 31.656 31.700 -0.520 0.000 0.789 931 H N -3.855 115.178 119.070 -0.061 0.000 2.977 931 H HA 0.387 4.943 4.556 -0.000 0.000 0.350 931 H C -0.006 175.316 175.328 -0.010 0.000 1.238 931 H CA -1.118 54.916 56.048 -0.024 0.000 1.124 931 H CB 0.864 30.620 29.762 -0.011 0.000 1.866 931 H HN -0.246 nan 8.280 nan 0.000 0.550 932 R N 1.023 121.605 120.500 0.138 0.000 2.494 932 R HA 0.061 4.401 4.340 -0.000 0.000 0.291 932 R C 0.310 176.610 176.300 0.000 0.000 0.953 932 R CA 1.409 57.542 56.100 0.054 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 -0.387 174.470 174.900 -0.073 0.000 1.047 933 G CA 0.274 45.206 45.100 -0.279 0.000 0.869 933 G HN 0.489 nan 8.290 nan 0.000 0.502 934 V N 1.117 121.079 119.914 0.080 0.000 2.488 934 V HA 0.564 4.684 4.120 -0.000 0.000 0.293 934 V C 0.169 176.355 176.094 0.152 0.000 1.027 934 V CA -0.763 61.609 62.300 0.120 0.000 0.862 934 V CB 1.644 33.543 31.823 0.126 0.000 1.008 934 V HN 0.402 nan 8.190 nan 0.000 0.428 935 I N 3.205 123.883 120.570 0.180 0.000 2.411 935 I HA 0.618 4.788 4.170 -0.000 0.000 0.284 935 I C -0.291 175.912 176.117 0.143 0.000 1.012 935 I CA -0.530 60.863 61.300 0.155 0.000 1.119 935 I CB 1.680 39.779 38.000 0.165 0.000 1.261 935 I HN 0.505 nan 8.210 nan 0.000 0.448 936 E N 4.558 124.844 120.200 0.143 0.000 2.183 936 E HA 0.569 4.919 4.350 -0.000 0.000 0.271 936 E C -0.599 176.089 176.600 0.147 0.000 0.919 936 E CA -0.750 55.746 56.400 0.160 0.000 0.781 936 E CB 2.448 32.264 29.700 0.193 0.000 1.140 936 E HN 0.711 nan 8.360 nan 0.000 0.402 937 T N -1.593 113.046 114.554 0.141 0.000 2.908 937 T HA 0.625 4.975 4.350 -0.000 0.000 0.290 937 T C -0.556 174.208 174.700 0.107 0.000 1.034 937 T CA -0.824 61.331 62.100 0.092 0.000 1.010 937 T CB 1.331 70.250 68.868 0.084 0.000 1.068 937 T HN 0.138 nan 8.240 nan 0.000 0.481 938 V N 2.682 122.607 119.914 0.017 0.000 2.380 938 V HA 0.380 4.500 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 -0.905 61.438 62.300 0.071 0.000 0.834 938 V CB 0.419 32.268 31.823 0.043 0.000 1.009 938 V HN 0.887 nan 8.190 nan 0.000 0.428 939 Y N 4.939 125.309 120.300 0.116 0.000 2.334 939 Y HA 0.746 5.296 4.550 -0.000 0.000 0.328 939 Y C -0.107 175.871 175.900 0.130 0.000 1.130 939 Y CA -0.821 57.370 58.100 0.152 0.000 1.163 939 Y CB 1.762 40.329 38.460 0.177 0.000 1.207 939 Y HN 0.527 nan 8.280 nan 0.000 0.471 940 L N 4.479 125.877 121.223 0.293 0.000 2.516 940 L HA 0.512 4.852 4.340 -0.000 0.000 0.267 940 L C -1.385 175.614 176.870 0.215 0.000 0.957 940 L CA -0.801 54.161 54.840 0.203 0.000 0.860 940 L CB 1.562 43.696 42.059 0.125 0.000 1.265 940 L HN 0.649 nan 8.230 nan 0.000 0.403 941 R N 3.582 124.198 120.500 0.193 0.000 2.371 941 R HA 0.731 5.071 4.340 -0.000 0.000 0.312 941 R C -1.494 174.908 176.300 0.171 0.000 0.980 941 R CA -0.032 56.182 56.100 0.191 0.000 0.867 941 R CB 1.151 31.566 30.300 0.192 0.000 1.163 941 R HN 0.836 nan 8.270 nan 0.000 0.492 942 T N 2.264 116.937 114.554 0.198 0.000 2.912 942 T HA 0.507 4.857 4.350 -0.000 0.000 0.299 942 T C -2.731 172.141 174.700 0.287 0.000 1.052 942 T CA -1.886 60.326 62.100 0.188 0.000 0.996 942 T CB 2.322 71.260 68.868 0.117 0.000 1.070 942 T HN 0.227 nan 8.240 nan 0.000 0.465 943 P HA 0.438 nan 4.420 nan 0.000 0.312 943 P C -0.233 177.208 177.300 0.235 0.000 1.307 943 P CA -0.582 62.607 63.100 0.148 0.000 0.738 943 P CB -0.129 31.570 31.700 -0.002 0.000 1.422 944 F N -3.043 116.797 119.950 -0.182 0.000 2.905 944 F HA -0.184 4.343 4.527 -0.000 0.000 0.291 944 F C 0.196 175.958 175.800 -0.063 0.000 1.002 944 F CA 0.189 58.093 58.000 -0.160 0.000 0.978 944 F CB -2.781 36.131 39.000 -0.146 0.000 1.036 944 F HN -0.077 nan 8.300 nan 0.000 0.820 945 S N 0.068 115.786 115.700 0.031 0.000 2.562 945 S HA 0.643 5.113 4.470 -0.000 0.000 0.281 945 S C 0.745 175.379 174.600 0.057 0.000 1.333 945 S CA -0.330 57.903 58.200 0.056 0.000 1.052 945 S CB 1.403 64.615 63.200 0.020 0.000 0.884 945 S HN 0.725 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