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 1vsz_1_H DATA FIRST_RESID 6 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 IGVEGQTPKY ADKTFQPEPQ DATA SEQUENCE IGESQWYETE INHAAGRVLK KTTPMKPCYG SYAKPTNENG GQGILVKQQN DATA SEQUENCE GKLESQVEMQ FFSTTXXXXX XXXNLTPKVV LYSEDVDIET PDTHISYMPT DATA SEQUENCE IKEGNSRELM GQQSMPNRPN YIAFRDNFIG LMYYNSTGNM GVLAGQASQL DATA SEQUENCE NAVVDLQDRN TELSYQLLLD SIGDRTRYFS MWNQAVDSYD PDVRIIENHG DATA SEQUENCE TEDELPNYCF PLGGVINTET LTKVKPKTGQ ENGWEKDAXX 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 SAGN 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 6 M HA 0.000 nan 4.480 nan 0.000 0.227 6 M C 0.000 175.813 176.300 -0.812 0.000 1.140 6 M CA 0.000 54.941 55.300 -0.598 0.000 0.988 6 M CB 0.000 32.244 32.600 -0.594 0.000 1.302 7 M N 0.129 119.334 119.600 -0.659 0.000 2.605 7 M HA 0.363 4.843 4.480 -0.000 0.000 0.281 7 M C -2.015 174.182 176.300 -0.171 0.000 1.166 7 M CA -0.796 54.219 55.300 -0.476 0.000 0.875 7 M CB 2.716 34.883 32.600 -0.721 0.000 1.732 7 M HN -0.275 nan 8.290 nan 0.000 0.504 8 P HA -0.058 nan 4.420 nan 0.000 0.252 8 P C -0.018 177.366 177.300 0.139 0.000 1.265 8 P CA 1.041 64.173 63.100 0.053 0.000 0.775 8 P CB 0.065 31.794 31.700 0.049 0.000 1.128 9 Q N -3.175 116.701 119.800 0.127 0.000 2.532 9 Q HA 0.077 4.417 4.340 -0.000 0.000 0.247 9 Q C 1.672 177.861 176.000 0.316 0.000 0.872 9 Q CA -0.063 55.860 55.803 0.200 0.000 0.963 9 Q CB -0.914 27.925 28.738 0.167 0.000 1.159 9 Q HN -0.021 nan 8.270 nan 0.000 0.598 10 W N 2.107 123.449 121.300 0.069 0.000 2.342 10 W HA 0.005 4.665 4.660 -0.000 0.000 0.297 10 W C 2.347 178.915 176.519 0.081 0.000 1.213 10 W CA 0.933 58.318 57.345 0.067 0.000 1.251 10 W CB -0.917 28.577 29.460 0.057 0.000 1.136 10 W HN 0.297 nan 8.180 nan 0.000 0.526 11 S N -1.463 114.411 115.700 0.290 0.000 2.269 11 S HA -0.157 4.313 4.470 -0.000 0.000 0.167 11 S C 1.531 176.227 174.600 0.160 0.000 1.319 11 S CA 0.974 59.281 58.200 0.179 0.000 2.086 11 S CB -1.350 61.908 63.200 0.098 0.000 0.582 11 S HN 0.256 nan 8.310 nan 0.000 0.360 12 Y N 0.607 120.919 120.300 0.020 0.000 2.519 12 Y HA -0.310 4.240 4.550 -0.000 0.000 0.277 12 Y C 1.323 177.173 175.900 -0.084 0.000 1.200 12 Y CA 2.417 60.492 58.100 -0.042 0.000 1.685 12 Y CB -0.734 37.711 38.460 -0.025 0.000 0.578 12 Y HN 0.429 nan 8.280 nan 0.000 0.617 13 M N 2.721 122.448 119.600 0.212 0.000 3.447 13 M HA 0.054 4.534 4.480 -0.000 0.000 0.217 13 M C -0.623 175.834 176.300 0.262 0.000 1.597 13 M CA -0.126 55.291 55.300 0.196 0.000 1.695 13 M CB -2.238 30.488 32.600 0.210 0.000 1.196 13 M HN 0.325 nan 8.290 nan 0.000 0.538 14 H N 2.802 121.776 119.070 -0.159 0.000 3.204 14 H HA -0.036 4.520 4.556 -0.000 0.000 0.278 14 H C 0.590 175.841 175.328 -0.128 0.000 0.879 14 H CA 0.876 56.752 56.048 -0.287 0.000 1.410 14 H CB -0.866 28.394 29.762 -0.835 0.000 1.322 14 H HN 0.745 nan 8.280 nan 0.000 0.544 15 I N -1.788 118.887 120.570 0.175 0.000 3.679 15 I HA 0.103 4.273 4.170 -0.000 0.000 0.370 15 I C -0.978 175.264 176.117 0.208 0.000 1.123 15 I CA -0.431 60.989 61.300 0.201 0.000 1.034 15 I CB -0.208 37.878 38.000 0.144 0.000 2.718 15 I HN 0.339 nan 8.210 nan 0.000 0.830 16 S N 1.375 117.214 115.700 0.232 0.000 2.438 16 S HA 0.683 5.153 4.470 -0.000 0.000 0.316 16 S C 1.215 175.918 174.600 0.171 0.000 1.084 16 S CA 0.043 58.361 58.200 0.197 0.000 1.107 16 S CB 1.448 64.767 63.200 0.199 0.000 0.981 16 S HN 0.824 nan 8.310 nan 0.000 0.466 17 G N 2.558 111.435 108.800 0.128 0.000 2.587 17 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.246 17 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.246 17 G C 0.120 175.054 174.900 0.057 0.000 1.058 17 G CA 0.420 45.573 45.100 0.088 0.000 0.658 17 G HN 0.710 nan 8.290 nan 0.000 0.538 18 Q N 1.674 121.526 119.800 0.087 0.000 2.503 18 Q HA 0.273 4.613 4.340 -0.000 0.000 0.227 18 Q C 0.262 176.173 176.000 -0.149 0.000 1.109 18 Q CA -0.451 55.340 55.803 -0.021 0.000 0.922 18 Q CB 0.774 29.561 28.738 0.081 0.000 1.249 18 Q HN 0.507 nan 8.270 nan 0.000 0.530 19 D N 1.579 121.881 120.400 -0.163 0.000 1.711 19 D HA -0.114 4.526 4.640 -0.000 0.000 0.300 19 D C 1.174 177.249 176.300 -0.376 0.000 1.097 19 D CA 0.986 54.897 54.000 -0.148 0.000 0.964 19 D CB 0.214 40.966 40.800 -0.081 0.000 1.518 19 D HN 0.504 nan 8.370 nan 0.000 0.541 20 A N -0.030 122.614 122.820 -0.294 0.000 1.969 20 A HA 0.061 4.381 4.320 -0.000 0.000 0.205 20 A C 1.714 179.080 177.584 -0.363 0.000 1.364 20 A CA 0.193 52.034 52.037 -0.326 0.000 0.756 20 A CB -0.212 18.709 19.000 -0.131 0.000 0.988 20 A HN 0.191 nan 8.150 nan 0.000 0.490 21 S N 1.717 117.275 115.700 -0.236 0.000 3.110 21 S HA 0.131 4.601 4.470 -0.000 0.000 0.253 21 S C 0.210 174.684 174.600 -0.211 0.000 1.074 21 S CA 0.380 58.474 58.200 -0.178 0.000 1.201 21 S CB -0.729 62.406 63.200 -0.109 0.000 0.889 21 S HN 0.664 nan 8.310 nan 0.000 0.490 22 E N 0.125 120.107 120.200 -0.362 0.000 3.372 22 E HA 0.212 4.562 4.350 -0.000 0.000 0.139 22 E C 0.825 177.258 176.600 -0.279 0.000 0.919 22 E CA -0.792 55.408 56.400 -0.334 0.000 0.891 22 E CB -0.320 29.156 29.700 -0.374 0.000 1.971 22 E HN 0.213 nan 8.360 nan 0.000 0.384 23 Y N 1.004 121.297 120.300 -0.012 0.000 2.477 23 Y HA -0.311 4.239 4.550 -0.000 0.000 0.220 23 Y C 1.009 176.907 175.900 -0.003 0.000 1.384 23 Y CA 0.917 59.021 58.100 0.006 0.000 0.932 23 Y CB -1.639 36.850 38.460 0.049 0.000 0.714 23 Y HN 0.205 nan 8.280 nan 0.000 0.552 24 L N 3.197 124.792 121.223 0.620 0.000 2.601 24 L HA -0.045 4.295 4.340 -0.000 0.000 0.277 24 L C 1.032 177.956 176.870 0.091 0.000 1.219 24 L CA 1.068 56.099 54.840 0.318 0.000 0.915 24 L CB -0.324 41.861 42.059 0.210 0.000 1.160 24 L HN 0.674 nan 8.230 nan 0.000 0.494 25 S N 5.517 121.256 115.700 0.065 0.000 3.366 25 S HA -0.081 4.389 4.470 -0.000 0.000 0.256 25 S C -1.732 172.875 174.600 0.012 0.000 0.525 25 S CA -0.643 57.574 58.200 0.030 0.000 1.853 25 S CB -1.023 62.191 63.200 0.023 0.000 1.078 25 S HN 0.505 nan 8.310 nan 0.000 0.492 26 P HA 0.098 nan 4.420 nan 0.000 0.297 26 P C 1.191 178.493 177.300 0.003 0.000 1.544 26 P CA 0.715 63.813 63.100 -0.002 0.000 0.798 26 P CB -0.629 31.067 31.700 -0.008 0.000 1.757 27 G N -0.886 107.919 108.800 0.008 0.000 2.545 27 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.212 27 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.212 27 G C 0.931 175.841 174.900 0.017 0.000 1.144 27 G CA 0.287 45.389 45.100 0.004 0.000 0.813 27 G HN 0.176 nan 8.290 nan 0.000 0.531 28 L N -0.020 121.226 121.223 0.039 0.000 2.624 28 L HA 0.277 4.617 4.340 -0.000 0.000 0.222 28 L C 2.611 179.530 176.870 0.083 0.000 1.046 28 L CA 0.324 55.219 54.840 0.092 0.000 0.872 28 L CB -1.055 41.059 42.059 0.092 0.000 1.190 28 L HN 0.001 nan 8.230 nan 0.000 0.487 29 V N 0.987 120.914 119.914 0.021 0.000 2.736 29 V HA -0.256 3.864 4.120 -0.000 0.000 0.262 29 V C 1.576 177.679 176.094 0.016 0.000 1.114 29 V CA 1.562 63.854 62.300 -0.014 0.000 1.133 29 V CB -0.456 31.339 31.823 -0.046 0.000 0.703 29 V HN 0.537 nan 8.190 nan 0.000 0.495 30 Q N -2.142 117.689 119.800 0.051 0.000 2.465 30 Q HA 0.283 4.623 4.340 -0.000 0.000 0.361 30 Q C 0.361 176.469 176.000 0.180 0.000 0.957 30 Q CA 0.019 55.864 55.803 0.070 0.000 1.065 30 Q CB 0.476 29.232 28.738 0.029 0.000 1.274 30 Q HN 0.746 nan 8.270 nan 0.000 0.421 31 F N -1.328 118.607 119.950 -0.025 0.000 2.841 31 F HA 0.172 4.699 4.527 -0.000 0.000 0.410 31 F C 1.053 176.837 175.800 -0.027 0.000 0.898 31 F CA -0.025 57.965 58.000 -0.018 0.000 0.967 31 F CB 0.513 39.508 39.000 -0.008 0.000 1.227 31 F HN 0.187 nan 8.300 nan 0.000 0.570 32 A N 1.043 123.879 122.820 0.027 0.000 2.121 32 A HA -0.084 4.236 4.320 -0.000 0.000 0.204 32 A C 1.244 178.765 177.584 -0.105 0.000 1.365 32 A CA 1.053 53.039 52.037 -0.085 0.000 1.070 32 A CB -0.926 18.042 19.000 -0.053 0.000 0.756 32 A HN 0.360 nan 8.150 nan 0.000 0.521 33 R N -1.580 118.858 120.500 -0.104 0.000 2.668 33 R HA 0.502 4.842 4.340 -0.000 0.000 0.435 33 R C 0.744 176.977 176.300 -0.111 0.000 1.059 33 R CA 0.785 56.838 56.100 -0.078 0.000 1.073 33 R CB -0.113 30.177 30.300 -0.017 0.000 1.401 33 R HN 0.225 nan 8.270 nan 0.000 0.590 34 A N -1.593 121.075 122.820 -0.253 0.000 2.211 34 A HA 0.130 4.450 4.320 -0.000 0.000 0.208 34 A C 1.219 178.682 177.584 -0.202 0.000 1.250 34 A CA 0.747 52.622 52.037 -0.270 0.000 0.935 34 A CB 0.573 19.184 19.000 -0.648 0.000 0.982 34 A HN 0.246 nan 8.150 nan 0.000 0.490 35 T N -2.227 112.053 114.554 -0.456 0.000 3.262 35 T HA 0.169 4.519 4.350 -0.000 0.000 0.300 35 T C 0.908 175.265 174.700 -0.572 0.000 0.959 35 T CA 0.647 62.111 62.100 -1.061 0.000 0.936 35 T CB -0.127 67.842 68.868 -1.498 0.000 1.169 35 T HN 0.332 nan 8.240 nan 0.000 0.532 36 E N 1.118 121.156 120.200 -0.270 0.000 2.187 36 E HA -0.153 4.197 4.350 -0.000 0.000 0.199 36 E C 1.214 177.762 176.600 -0.086 0.000 1.004 36 E CA 2.022 58.338 56.400 -0.140 0.000 0.813 36 E CB 0.106 29.757 29.700 -0.083 0.000 0.736 36 E HN 0.740 nan 8.360 nan 0.000 0.468 37 T N -2.605 111.914 114.554 -0.059 0.000 3.043 37 T HA 0.060 4.410 4.350 -0.000 0.000 0.272 37 T C 0.875 175.628 174.700 0.089 0.000 0.990 37 T CA -0.009 62.101 62.100 0.017 0.000 0.897 37 T CB -0.018 68.872 68.868 0.036 0.000 1.111 37 T HN 0.345 nan 8.240 nan 0.000 0.529 38 Y N -0.796 119.493 120.300 -0.020 0.000 2.589 38 Y HA 0.569 5.119 4.550 -0.000 0.000 0.271 38 Y C 0.610 176.619 175.900 0.183 0.000 1.107 38 Y CA -1.478 56.613 58.100 -0.015 0.000 1.273 38 Y CB 0.470 38.830 38.460 -0.167 0.000 1.266 38 Y HN 0.179 nan 8.280 nan 0.000 0.504 39 F N 1.928 121.693 119.950 -0.308 0.000 2.739 39 F HA 0.397 4.924 4.527 -0.000 0.000 0.345 39 F C 0.534 176.240 175.800 -0.157 0.000 1.373 39 F CA -1.142 56.751 58.000 -0.178 0.000 1.160 39 F CB 0.448 39.288 39.000 -0.267 0.000 1.137 39 F HN -0.123 nan 8.300 nan 0.000 0.524 40 S N 1.315 117.068 115.700 0.089 0.000 3.446 40 S HA -0.165 4.305 4.470 -0.000 0.000 0.415 40 S C 0.647 175.265 174.600 0.031 0.000 1.146 40 S CA 0.840 59.063 58.200 0.038 0.000 0.887 40 S CB 0.193 63.422 63.200 0.048 0.000 0.630 40 S HN 0.596 nan 8.310 nan 0.000 0.453 41 L N 1.742 122.981 121.223 0.026 0.000 3.923 41 L HA 0.279 4.619 4.340 -0.000 0.000 0.374 41 L C 1.179 178.088 176.870 0.066 0.000 1.137 41 L CA -0.259 54.619 54.840 0.062 0.000 1.351 41 L CB -0.356 41.728 42.059 0.042 0.000 1.720 41 L HN 0.404 nan 8.230 nan 0.000 0.634 42 N N 1.617 120.336 118.700 0.032 0.000 2.635 42 N HA -0.107 4.633 4.740 -0.000 0.000 0.191 42 N C 0.847 176.384 175.510 0.045 0.000 1.155 42 N CA 1.322 54.388 53.050 0.027 0.000 0.927 42 N CB -0.016 38.478 38.487 0.013 0.000 0.976 42 N HN 0.632 nan 8.380 nan 0.000 0.448 43 N N -1.858 116.876 118.700 0.057 0.000 2.372 43 N HA 0.097 4.837 4.740 -0.000 0.000 0.242 43 N C 0.988 176.533 175.510 0.058 0.000 1.124 43 N CA -0.319 52.760 53.050 0.048 0.000 0.824 43 N CB 0.040 38.543 38.487 0.026 0.000 1.468 43 N HN -0.183 nan 8.380 nan 0.000 0.470 44 K N 0.496 120.954 120.400 0.096 0.000 2.163 44 K HA -0.082 4.238 4.320 -0.000 0.000 0.210 44 K C -0.526 176.103 176.600 0.048 0.000 1.048 44 K CA 1.310 57.665 56.287 0.114 0.000 0.928 44 K CB -0.316 32.348 32.500 0.274 0.000 0.716 44 K HN 0.315 nan 8.250 nan 0.000 0.459 45 F N 1.306 121.260 119.950 0.007 0.000 2.902 45 F HA 0.201 4.728 4.527 -0.000 0.000 0.368 45 F C -0.180 175.625 175.800 0.008 0.000 1.202 45 F CA -1.419 56.588 58.000 0.012 0.000 1.109 45 F CB 1.017 40.033 39.000 0.027 0.000 1.418 45 F HN -0.148 nan 8.300 nan 0.000 0.527 46 R N 1.064 121.643 120.500 0.132 0.000 2.715 46 R HA -0.110 4.230 4.340 -0.000 0.000 0.266 46 R C -0.542 175.823 176.300 0.109 0.000 0.981 46 R CA 0.248 56.402 56.100 0.089 0.000 1.105 46 R CB -0.145 30.187 30.300 0.053 0.000 0.953 46 R HN 0.468 nan 8.270 nan 0.000 0.432 47 N N 2.825 121.563 118.700 0.063 0.000 2.448 47 N HA 0.088 4.828 4.740 -0.000 0.000 0.250 47 N C -2.214 173.326 175.510 0.051 0.000 1.136 47 N CA -1.279 51.794 53.050 0.037 0.000 0.953 47 N CB 0.868 39.361 38.487 0.010 0.000 1.251 47 N HN 0.444 nan 8.380 nan 0.000 0.502 48 P HA -0.037 nan 4.420 nan 0.000 0.240 48 P C 0.539 177.888 177.300 0.082 0.000 1.594 48 P CA 0.141 63.306 63.100 0.108 0.000 1.184 48 P CB -0.577 31.243 31.700 0.199 0.000 1.915 49 T N -0.864 113.721 114.554 0.052 0.000 2.888 49 T HA -0.253 4.096 4.350 -0.000 0.000 0.448 49 T C 0.530 175.258 174.700 0.048 0.000 0.944 49 T CA 0.175 62.299 62.100 0.040 0.000 1.145 49 T CB -0.549 68.340 68.868 0.034 0.000 1.040 49 T HN 0.253 nan 8.240 nan 0.000 0.526 50 V N 0.127 120.068 119.914 0.045 0.000 2.925 50 V HA 0.563 4.683 4.120 -0.000 0.000 0.252 50 V C -0.832 175.293 176.094 0.052 0.000 0.913 50 V CA 0.038 62.371 62.300 0.054 0.000 0.933 50 V CB 0.475 32.327 31.823 0.049 0.000 1.039 50 V HN 1.490 nan 8.190 nan 0.000 0.507 51 A N 6.885 129.734 122.820 0.049 0.000 2.745 51 A HA 0.902 5.222 4.320 -0.000 0.000 0.301 51 A C -2.002 175.598 177.584 0.027 0.000 1.188 51 A CA -0.802 51.255 52.037 0.033 0.000 0.746 51 A CB 0.592 19.601 19.000 0.015 0.000 1.207 51 A HN 0.711 nan 8.150 nan 0.000 0.432 52 P HA 0.654 nan 4.420 nan 0.000 0.312 52 P C 0.855 178.126 177.300 -0.048 0.000 1.308 52 P CA 0.219 63.353 63.100 0.056 0.000 0.743 52 P CB 0.515 32.354 31.700 0.232 0.000 1.364 53 T N -4.739 109.789 114.554 -0.043 0.000 3.311 53 T HA 0.108 4.458 4.350 -0.000 0.000 0.239 53 T C 0.457 175.041 174.700 -0.193 0.000 0.976 53 T CA 0.456 62.503 62.100 -0.089 0.000 1.283 53 T CB -1.451 67.416 68.868 -0.001 0.000 1.113 53 T HN 0.820 nan 8.240 nan 0.000 0.392 54 H N 2.899 121.986 119.070 0.030 0.000 3.144 54 H HA -0.144 4.412 4.556 -0.000 0.000 0.324 54 H C 0.128 175.468 175.328 0.019 0.000 1.094 54 H CA 0.462 56.528 56.048 0.029 0.000 1.249 54 H CB -0.976 28.810 29.762 0.039 0.000 1.099 54 H HN 0.333 nan 8.280 nan 0.000 0.633 55 D N -0.803 119.738 120.400 0.234 0.000 3.043 55 D HA -0.292 4.348 4.640 -0.000 0.000 0.199 55 D C 1.511 177.833 176.300 0.036 0.000 1.204 55 D CA 1.127 55.224 54.000 0.161 0.000 0.806 55 D CB -0.970 39.990 40.800 0.267 0.000 0.963 55 D HN 0.485 nan 8.370 nan 0.000 0.373 56 V N -0.107 119.762 119.914 -0.075 0.000 2.176 56 V HA -0.189 3.931 4.120 -0.000 0.000 0.145 56 V C 1.431 177.477 176.094 -0.080 0.000 0.783 56 V CA 1.776 64.006 62.300 -0.117 0.000 1.203 56 V CB -0.153 31.572 31.823 -0.164 0.000 0.732 56 V HN 0.294 nan 8.190 nan 0.000 0.454 57 T N 0.650 115.134 114.554 -0.118 0.000 2.814 57 T HA 0.405 4.755 4.350 -0.000 0.000 0.284 57 T C -0.013 174.624 174.700 -0.105 0.000 0.998 57 T CA 0.196 62.216 62.100 -0.134 0.000 0.935 57 T CB 0.641 69.386 68.868 -0.205 0.000 1.167 57 T HN 0.918 nan 8.240 nan 0.000 0.545 58 T N -0.118 114.356 114.554 -0.133 0.000 2.788 58 T HA 0.290 4.640 4.350 -0.000 0.000 0.280 58 T C 0.101 174.746 174.700 -0.091 0.000 0.984 58 T CA -0.679 61.356 62.100 -0.109 0.000 0.972 58 T CB 0.360 69.129 68.868 -0.165 0.000 1.039 58 T HN 0.549 nan 8.240 nan 0.000 0.530 59 D N -1.318 119.045 120.400 -0.062 0.000 2.423 59 D HA 0.140 4.780 4.640 -0.000 0.000 0.212 59 D C 1.490 177.761 176.300 -0.048 0.000 1.060 59 D CA -0.203 53.768 54.000 -0.048 0.000 0.872 59 D CB 0.193 40.978 40.800 -0.024 0.000 1.012 59 D HN 0.356 nan 8.370 nan 0.000 0.503 60 R N 0.927 121.397 120.500 -0.050 0.000 0.604 60 R HA 0.259 4.599 4.340 -0.000 0.000 0.044 60 R C 0.747 177.015 176.300 -0.053 0.000 0.427 60 R CA 0.285 56.360 56.100 -0.042 0.000 2.173 60 R CB -0.539 29.743 30.300 -0.030 0.000 0.474 60 R HN 0.067 nan 8.270 nan 0.000 0.809 61 S N -0.923 114.746 115.700 -0.052 0.000 2.578 61 S HA 0.399 4.869 4.470 -0.000 0.000 0.301 61 S C -0.991 173.571 174.600 -0.064 0.000 1.091 61 S CA -0.538 57.634 58.200 -0.047 0.000 1.032 61 S CB 1.419 64.609 63.200 -0.018 0.000 1.064 61 S HN 0.431 nan 8.310 nan 0.000 0.508 62 Q N 0.981 120.750 119.800 -0.051 0.000 2.962 62 Q HA 0.262 4.602 4.340 -0.000 0.000 0.270 62 Q C -2.128 173.847 176.000 -0.042 0.000 0.949 62 Q CA -0.609 55.166 55.803 -0.047 0.000 0.829 62 Q CB 1.030 29.713 28.738 -0.092 0.000 1.869 62 Q HN 0.819 nan 8.270 nan 0.000 0.494 63 R N 2.801 123.286 120.500 -0.026 0.000 2.542 63 R HA 0.408 4.748 4.340 -0.000 0.000 0.284 63 R C -1.779 174.500 176.300 -0.035 0.000 1.167 63 R CA -0.185 55.894 56.100 -0.035 0.000 1.000 63 R CB 0.785 31.077 30.300 -0.014 0.000 1.229 63 R HN 0.524 nan 8.270 nan 0.000 0.416 64 L N 1.098 122.239 121.223 -0.136 0.000 2.693 64 L HA 0.595 4.935 4.340 -0.000 0.000 0.253 64 L C 0.124 176.814 176.870 -0.299 0.000 1.155 64 L CA -0.609 54.030 54.840 -0.334 0.000 1.026 64 L CB 0.803 42.373 42.059 -0.814 0.000 1.817 64 L HN 0.730 nan 8.230 nan 0.000 0.556 65 T N 1.823 116.022 114.554 -0.591 0.000 1.247 65 T HA -0.095 4.255 4.350 -0.000 0.000 0.692 65 T C -0.941 173.890 174.700 0.219 0.000 0.971 65 T CA 0.064 62.184 62.100 0.034 0.000 3.665 65 T CB -0.849 67.979 68.868 -0.066 0.000 2.085 65 T HN 0.354 nan 8.240 nan 0.000 0.386 66 L N 3.993 125.463 121.223 0.412 0.000 2.385 66 L HA 0.643 4.983 4.340 -0.000 0.000 0.273 66 L C 0.383 177.460 176.870 0.344 0.000 0.990 66 L CA -0.754 54.278 54.840 0.320 0.000 0.821 66 L CB 1.782 44.097 42.059 0.426 0.000 1.279 66 L HN 0.706 nan 8.230 nan 0.000 0.412 67 R N 2.758 123.403 120.500 0.242 0.000 2.560 67 R HA 0.473 4.813 4.340 -0.000 0.000 0.270 67 R C -1.535 175.052 176.300 0.478 0.000 1.074 67 R CA 0.049 56.361 56.100 0.352 0.000 1.140 67 R CB 0.957 31.314 30.300 0.095 0.000 1.073 67 R HN 0.364 nan 8.270 nan 0.000 0.527 68 F N 0.167 120.310 119.950 0.322 0.000 2.706 68 F HA 0.555 5.081 4.527 -0.000 0.000 0.328 68 F C -0.098 175.986 175.800 0.473 0.000 1.123 68 F CA -1.117 57.103 58.000 0.367 0.000 0.978 68 F CB 1.640 40.868 39.000 0.380 0.000 1.404 68 F HN 0.308 nan 8.300 nan 0.000 0.497 69 I N 2.943 123.773 120.570 0.434 0.000 2.389 69 I HA 0.307 4.477 4.170 -0.000 0.000 0.288 69 I C -2.439 173.592 176.117 -0.143 0.000 0.999 69 I CA -2.325 59.058 61.300 0.139 0.000 1.129 69 I CB 2.300 40.320 38.000 0.034 0.000 1.288 69 I HN 0.192 nan 8.210 nan 0.000 0.444 70 P HA -0.000 nan 4.420 nan 0.000 0.258 70 P C 0.203 177.311 177.300 -0.320 0.000 1.563 70 P CA -0.010 62.539 63.100 -0.918 0.000 1.241 70 P CB -0.299 30.948 31.700 -0.756 0.000 1.811 71 V N 2.405 122.220 119.914 -0.165 0.000 1.907 71 V HA 0.011 4.131 4.120 -0.000 0.000 0.245 71 V C 0.549 176.599 176.094 -0.074 0.000 1.731 71 V CA 0.995 63.256 62.300 -0.065 0.000 1.661 71 V CB -1.431 30.400 31.823 0.013 0.000 1.567 71 V HN 0.477 nan 8.190 nan 0.000 0.502 72 D N 2.051 122.385 120.400 -0.109 0.000 2.349 72 D HA 0.125 4.765 4.640 -0.000 0.000 0.224 72 D C -0.275 175.933 176.300 -0.153 0.000 1.323 72 D CA -0.669 53.264 54.000 -0.112 0.000 0.917 72 D CB 1.145 41.881 40.800 -0.106 0.000 1.524 72 D HN 0.455 nan 8.370 nan 0.000 0.505 73 R N 1.590 122.008 120.500 -0.137 0.000 2.351 73 R HA 0.380 4.720 4.340 -0.000 0.000 0.321 73 R C -0.267 175.899 176.300 -0.223 0.000 1.182 73 R CA -0.341 55.663 56.100 -0.161 0.000 1.011 73 R CB -0.788 29.459 30.300 -0.087 0.000 1.048 73 R HN 0.286 nan 8.270 nan 0.000 0.490 74 E N -0.321 119.631 120.200 -0.414 0.000 2.466 74 E HA 0.099 4.449 4.350 -0.000 0.000 0.308 74 E C -1.608 174.649 176.600 -0.571 0.000 0.933 74 E CA -0.778 55.392 56.400 -0.384 0.000 0.800 74 E CB 0.871 30.415 29.700 -0.261 0.000 1.434 74 E HN 0.411 nan 8.360 nan 0.000 0.389 75 D N 3.243 123.483 120.400 -0.266 0.000 2.429 75 D HA 0.014 4.654 4.640 -0.000 0.000 0.253 75 D C -0.531 175.797 176.300 0.046 0.000 1.294 75 D CA 0.213 54.272 54.000 0.098 0.000 1.063 75 D CB 0.390 41.389 40.800 0.332 0.000 1.096 75 D HN 0.306 nan 8.370 nan 0.000 0.516 76 T N 3.365 117.913 114.554 -0.010 0.000 2.853 76 T HA 0.310 4.660 4.350 -0.000 0.000 0.298 76 T C 1.595 176.297 174.700 0.002 0.000 0.978 76 T CA -0.101 61.973 62.100 -0.043 0.000 1.152 76 T CB 1.246 70.087 68.868 -0.046 0.000 0.914 76 T HN 0.521 nan 8.240 nan 0.000 0.539 77 A N 4.153 126.901 122.820 -0.121 0.000 2.250 77 A HA -0.254 4.066 4.320 -0.000 0.000 0.259 77 A C 1.402 179.014 177.584 0.047 0.000 2.387 77 A CA 2.605 54.571 52.037 -0.118 0.000 0.996 77 A CB -1.485 17.328 19.000 -0.312 0.000 0.701 77 A HN 1.069 nan 8.150 nan 0.000 0.499 78 Y N -0.447 119.985 120.300 0.219 0.000 2.718 78 Y HA 0.564 5.114 4.550 -0.000 0.000 0.322 78 Y C 0.578 176.690 175.900 0.354 0.000 1.122 78 Y CA -0.426 57.866 58.100 0.319 0.000 1.348 78 Y CB -1.040 37.684 38.460 0.440 0.000 1.174 78 Y HN 0.870 nan 8.280 nan 0.000 0.523 79 S N -2.033 114.001 115.700 0.558 0.000 2.979 79 S HA 0.553 5.023 4.470 -0.000 0.000 0.302 79 S C -1.550 173.381 174.600 0.552 0.000 1.250 79 S CA -0.558 57.982 58.200 0.566 0.000 1.148 79 S CB 0.920 64.518 63.200 0.663 0.000 1.409 79 S HN 0.352 nan 8.310 nan 0.000 0.517 80 Y N 0.300 120.686 120.300 0.144 0.000 3.080 80 Y HA 0.753 5.303 4.550 -0.000 0.000 0.254 80 Y C -1.220 174.652 175.900 -0.047 0.000 2.152 80 Y CA -0.724 57.335 58.100 -0.069 0.000 1.006 80 Y CB 1.070 39.227 38.460 -0.506 0.000 2.289 80 Y HN 1.029 nan 8.280 nan 0.000 0.403 81 K N -0.177 120.208 120.400 -0.025 0.000 3.529 81 K HA 0.508 4.828 4.320 -0.000 0.000 0.412 81 K C -2.301 174.248 176.600 -0.085 0.000 1.132 81 K CA 0.170 56.401 56.287 -0.094 0.000 0.912 81 K CB 0.954 33.372 32.500 -0.137 0.000 1.396 81 K HN 0.709 nan 8.250 nan 0.000 0.478 82 A N 2.881 125.686 122.820 -0.024 0.000 2.881 82 A HA 0.284 4.604 4.320 -0.000 0.000 0.265 82 A C -0.589 176.953 177.584 -0.071 0.000 1.297 82 A CA -0.555 51.453 52.037 -0.048 0.000 0.989 82 A CB 0.360 19.394 19.000 0.056 0.000 1.421 82 A HN 0.600 nan 8.150 nan 0.000 0.688 83 R N -0.276 120.174 120.500 -0.082 0.000 2.829 83 R HA 0.319 4.659 4.340 -0.000 0.000 0.267 83 R C -0.180 176.091 176.300 -0.048 0.000 0.985 83 R CA 1.423 57.505 56.100 -0.030 0.000 1.128 83 R CB 0.176 30.451 30.300 -0.043 0.000 1.010 83 R HN 0.574 nan 8.270 nan 0.000 0.449 84 F N -1.559 118.434 119.950 0.071 0.000 3.248 84 F HA 0.468 4.995 4.527 -0.000 0.000 0.244 84 F C -0.198 175.680 175.800 0.130 0.000 1.581 84 F CA -0.347 57.740 58.000 0.144 0.000 0.959 84 F CB 1.713 40.814 39.000 0.169 0.000 1.844 84 F HN 0.297 nan 8.300 nan 0.000 0.343 85 T N 2.766 117.566 114.554 0.410 0.000 4.242 85 T HA 0.376 4.726 4.350 -0.000 0.000 0.422 85 T C -2.066 172.648 174.700 0.025 0.000 1.136 85 T CA -0.629 61.613 62.100 0.237 0.000 1.071 85 T CB 0.711 69.743 68.868 0.273 0.000 1.260 85 T HN 0.321 nan 8.240 nan 0.000 0.453 86 L N 1.948 123.159 121.223 -0.019 0.000 2.490 86 L HA 0.844 5.184 4.340 -0.000 0.000 0.256 86 L C 0.108 176.993 176.870 0.025 0.000 1.089 86 L CA -0.934 53.781 54.840 -0.208 0.000 0.916 86 L CB 0.072 41.935 42.059 -0.326 0.000 1.188 86 L HN 0.779 nan 8.230 nan 0.000 0.476 87 A N 2.378 125.170 122.820 -0.047 0.000 2.312 87 A HA 0.853 5.173 4.320 -0.000 0.000 0.328 87 A C 0.054 177.574 177.584 -0.106 0.000 1.158 87 A CA -0.516 51.433 52.037 -0.146 0.000 0.821 87 A CB 1.672 20.599 19.000 -0.121 0.000 1.170 87 A HN 0.446 nan 8.150 nan 0.000 0.490 88 V N 1.595 121.426 119.914 -0.139 0.000 2.305 88 V HA 0.581 4.701 4.120 -0.000 0.000 0.275 88 V C 0.937 176.998 176.094 -0.055 0.000 1.020 88 V CA -0.445 61.803 62.300 -0.087 0.000 0.811 88 V CB 0.047 31.807 31.823 -0.105 0.000 1.031 88 V HN 1.382 nan 8.190 nan 0.000 0.439 89 G N 3.100 111.893 108.800 -0.012 0.000 2.996 89 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.224 89 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.224 89 G C 0.012 174.897 174.900 -0.025 0.000 1.104 89 G CA -0.044 45.055 45.100 -0.003 0.000 0.874 89 G HN 0.836 nan 8.290 nan 0.000 0.508 90 D N 1.466 121.837 120.400 -0.048 0.000 2.422 90 D HA 0.021 4.661 4.640 -0.000 0.000 0.263 90 D C 1.135 177.365 176.300 -0.117 0.000 1.334 90 D CA 0.756 54.713 54.000 -0.072 0.000 1.105 90 D CB -0.225 40.530 40.800 -0.075 0.000 1.107 90 D HN 0.689 nan 8.370 nan 0.000 0.522 91 N N 0.252 118.912 118.700 -0.065 0.000 2.706 91 N HA -0.139 4.601 4.740 -0.000 0.000 0.144 91 N C -0.105 175.443 175.510 0.063 0.000 1.584 91 N CA -0.202 52.822 53.050 -0.042 0.000 2.733 91 N CB -0.033 38.331 38.487 -0.206 0.000 1.351 91 N HN 0.152 nan 8.380 nan 0.000 0.992 92 R N 1.043 121.590 120.500 0.079 0.000 2.546 92 R HA 0.724 5.064 4.340 -0.000 0.000 0.266 92 R C 0.048 176.382 176.300 0.055 0.000 1.086 92 R CA -0.328 55.853 56.100 0.135 0.000 1.160 92 R CB 1.062 31.467 30.300 0.175 0.000 1.138 92 R HN 0.081 nan 8.270 nan 0.000 0.567 93 V N -2.028 117.913 119.914 0.045 0.000 3.278 93 V HA 0.651 4.771 4.120 -0.000 0.000 0.288 93 V C -1.667 174.307 176.094 -0.198 0.000 1.514 93 V CA -1.162 61.101 62.300 -0.061 0.000 1.051 93 V CB 1.609 33.449 31.823 0.027 0.000 1.163 93 V HN 0.692 nan 8.190 nan 0.000 0.458 94 L N 0.622 121.692 121.223 -0.255 0.000 2.350 94 L HA 0.794 5.134 4.340 -0.000 0.000 0.260 94 L C -0.230 176.604 176.870 -0.061 0.000 1.015 94 L CA -0.096 54.582 54.840 -0.271 0.000 0.821 94 L CB 2.050 43.787 42.059 -0.536 0.000 1.370 94 L HN 1.014 nan 8.230 nan 0.000 0.416 95 D N 1.040 121.462 120.400 0.037 0.000 2.403 95 D HA 0.226 4.866 4.640 -0.000 0.000 0.278 95 D C -0.044 176.273 176.300 0.029 0.000 1.230 95 D CA -0.096 53.939 54.000 0.058 0.000 1.062 95 D CB 1.161 42.024 40.800 0.105 0.000 1.119 95 D HN 0.638 nan 8.370 nan 0.000 0.557 96 M N -0.696 118.947 119.600 0.071 0.000 1.918 96 M HA 0.149 4.629 4.480 -0.000 0.000 0.192 96 M C 1.444 177.835 176.300 0.152 0.000 1.474 96 M CA 0.349 55.693 55.300 0.073 0.000 0.927 96 M CB -1.313 31.319 32.600 0.055 0.000 1.567 96 M HN 0.393 nan 8.290 nan 0.000 0.581 97 A N 0.948 123.873 122.820 0.175 0.000 2.239 97 A HA 0.155 4.475 4.320 -0.000 0.000 0.209 97 A C 1.008 178.782 177.584 0.317 0.000 1.171 97 A CA 1.385 53.563 52.037 0.234 0.000 0.768 97 A CB -0.737 18.381 19.000 0.197 0.000 0.790 97 A HN 0.487 nan 8.150 nan 0.000 0.478 98 S N -1.734 114.129 115.700 0.271 0.000 2.235 98 S HA 0.484 4.954 4.470 -0.000 0.000 0.152 98 S C -0.203 174.525 174.600 0.214 0.000 1.649 98 S CA 0.294 58.675 58.200 0.301 0.000 1.277 98 S CB 0.151 63.476 63.200 0.209 0.000 1.299 98 S HN 0.574 nan 8.310 nan 0.000 0.388 99 T N 1.322 116.004 114.554 0.213 0.000 5.204 99 T HA 0.138 4.488 4.350 -0.000 0.000 0.170 99 T C 0.015 174.727 174.700 0.020 0.000 0.787 99 T CA -0.260 61.853 62.100 0.021 0.000 0.763 99 T CB -1.232 67.615 68.868 -0.035 0.000 0.689 99 T HN 0.581 nan 8.240 nan 0.000 0.339 100 Y N 0.632 121.040 120.300 0.180 0.000 3.184 100 Y HA 0.830 5.380 4.550 -0.000 0.000 0.213 100 Y C 0.029 176.022 175.900 0.155 0.000 0.892 100 Y CA -0.236 57.981 58.100 0.196 0.000 0.931 100 Y CB 0.025 38.652 38.460 0.278 0.000 1.108 100 Y HN 0.271 nan 8.280 nan 0.000 0.477 101 F N -0.465 119.764 119.950 0.464 0.000 2.688 101 F HA 0.325 4.852 4.527 -0.000 0.000 0.308 101 F C -1.554 174.407 175.800 0.268 0.000 1.117 101 F CA -1.273 56.859 58.000 0.219 0.000 0.976 101 F CB 1.959 41.076 39.000 0.196 0.000 1.291 101 F HN 0.497 nan 8.300 nan 0.000 0.439 102 D N 3.028 123.538 120.400 0.183 0.000 2.738 102 D HA 0.713 5.353 4.640 -0.000 0.000 0.237 102 D C -1.288 175.117 176.300 0.175 0.000 1.123 102 D CA -0.131 53.894 54.000 0.042 0.000 0.856 102 D CB 1.922 42.305 40.800 -0.696 0.000 1.552 102 D HN 0.452 nan 8.370 nan 0.000 0.480 103 I N 1.276 121.978 120.570 0.220 0.000 2.969 103 I HA 0.564 4.734 4.170 -0.000 0.000 0.307 103 I C 0.311 176.636 176.117 0.346 0.000 1.149 103 I CA -0.859 60.591 61.300 0.250 0.000 1.008 103 I CB 2.524 40.625 38.000 0.169 0.000 1.232 103 I HN 0.245 nan 8.210 nan 0.000 0.435 104 R N 0.707 121.364 120.500 0.262 0.000 3.315 104 R HA 0.920 5.260 4.340 -0.000 0.000 0.239 104 R C -0.257 175.909 176.300 -0.223 0.000 1.532 104 R CA 0.026 56.204 56.100 0.129 0.000 1.033 104 R CB 1.701 32.061 30.300 0.099 0.000 1.586 104 R HN 0.987 nan 8.270 nan 0.000 0.512 105 G N -0.675 107.846 108.800 -0.465 0.000 2.295 105 G HA2 0.099 4.059 3.960 -0.000 0.000 0.195 105 G HA3 0.099 4.059 3.960 -0.000 0.000 0.195 105 G C -1.417 172.941 174.900 -0.903 0.000 1.269 105 G CA -0.500 44.254 45.100 -0.576 0.000 1.170 105 G HN 0.720 nan 8.290 nan 0.000 0.511 106 V N -1.466 117.937 119.914 -0.852 0.000 3.069 106 V HA 0.973 5.093 4.120 -0.000 0.000 0.312 106 V C -0.504 175.454 176.094 -0.225 0.000 1.369 106 V CA -0.262 61.702 62.300 -0.561 0.000 1.047 106 V CB 1.685 33.327 31.823 -0.302 0.000 1.098 106 V HN 2.414 nan 8.190 nan 0.000 0.473 107 L N 0.355 121.526 121.223 -0.088 0.000 4.078 107 L HA 0.461 4.801 4.340 -0.000 0.000 0.259 107 L C -1.973 174.814 176.870 -0.138 0.000 1.029 107 L CA -0.109 54.708 54.840 -0.038 0.000 1.313 107 L CB 1.348 43.513 42.059 0.178 0.000 2.018 107 L HN 0.691 nan 8.230 nan 0.000 0.667 108 D N 3.769 124.049 120.400 -0.201 0.000 2.470 108 D HA 0.190 4.830 4.640 -0.000 0.000 0.226 108 D C 0.419 176.631 176.300 -0.147 0.000 1.196 108 D CA -0.123 53.741 54.000 -0.226 0.000 0.979 108 D CB 0.524 41.177 40.800 -0.244 0.000 1.059 108 D HN 0.400 nan 8.370 nan 0.000 0.515 109 R N 2.137 122.551 120.500 -0.142 0.000 4.626 109 R HA -0.048 4.292 4.340 -0.000 0.000 0.202 109 R C 1.695 177.953 176.300 -0.070 0.000 0.462 109 R CA 0.825 56.842 56.100 -0.139 0.000 0.938 109 R CB -0.971 29.211 30.300 -0.197 0.000 0.917 109 R HN 0.692 nan 8.270 nan 0.000 0.293 110 G N 3.723 112.473 108.800 -0.085 0.000 2.685 110 G HA2 -0.391 3.568 3.960 -0.000 0.000 0.357 110 G HA3 -0.391 3.568 3.960 -0.000 0.000 0.357 110 G C -1.320 173.550 174.900 -0.050 0.000 1.272 110 G CA 0.543 45.605 45.100 -0.064 0.000 0.972 110 G HN 0.539 nan 8.290 nan 0.000 0.550 111 P HA 0.180 nan 4.420 nan 0.000 0.206 111 P C 0.906 178.151 177.300 -0.092 0.000 1.136 111 P CA 2.659 65.716 63.100 -0.072 0.000 0.905 111 P CB 0.222 31.867 31.700 -0.092 0.000 0.754 112 T N -2.643 111.834 114.554 -0.129 0.000 3.444 112 T HA 0.372 4.722 4.350 -0.000 0.000 0.265 112 T C -0.041 174.628 174.700 -0.052 0.000 1.537 112 T CA -0.789 61.204 62.100 -0.179 0.000 1.530 112 T CB -1.211 67.343 68.868 -0.524 0.000 0.958 112 T HN -0.179 nan 8.240 nan 0.000 0.684 113 F N 2.372 122.255 119.950 -0.111 0.000 2.682 113 F HA 0.369 4.896 4.527 -0.000 0.000 0.328 113 F C 0.520 176.250 175.800 -0.116 0.000 1.207 113 F CA 0.312 58.257 58.000 -0.092 0.000 1.379 113 F CB 0.469 39.430 39.000 -0.065 0.000 1.100 113 F HN 0.625 nan 8.300 nan 0.000 0.621 114 K N 3.788 123.371 120.400 -1.362 0.000 2.385 114 K HA 0.215 4.535 4.320 -0.000 0.000 0.341 114 K C -3.045 172.720 176.600 -1.392 0.000 1.328 114 K CA -0.769 54.814 56.287 -1.173 0.000 1.154 114 K CB 0.693 32.799 32.500 -0.657 0.000 1.409 114 K HN 0.163 nan 8.250 nan 0.000 0.464 115 P HA 0.217 nan 4.420 nan 0.000 0.227 115 P C -1.199 175.857 177.300 -0.407 0.000 1.801 115 P CA 0.087 62.812 63.100 -0.625 0.000 0.971 115 P CB -0.696 30.951 31.700 -0.087 0.000 1.653 116 Y N -4.228 115.478 120.300 -0.990 0.000 2.621 116 Y HA 0.521 5.071 4.550 -0.000 0.000 0.372 116 Y C -1.274 174.263 175.900 -0.605 0.000 1.485 116 Y CA -1.142 56.398 58.100 -0.933 0.000 1.085 116 Y CB -0.468 37.805 38.460 -0.311 0.000 3.876 116 Y HN -0.064 nan 8.280 nan 0.000 0.260 117 S N 0.297 116.095 115.700 0.164 0.000 2.697 117 S HA 0.804 5.274 4.470 -0.000 0.000 0.289 117 S C 0.001 174.733 174.600 0.221 0.000 1.149 117 S CA 0.386 58.642 58.200 0.094 0.000 0.850 117 S CB 1.082 64.304 63.200 0.036 0.000 1.151 117 S HN 2.636 nan 8.310 nan 0.000 0.491 118 G N 0.759 109.603 108.800 0.074 0.000 2.642 118 G HA2 0.188 4.148 3.960 -0.000 0.000 0.231 118 G HA3 0.188 4.148 3.960 -0.000 0.000 0.231 118 G C -0.104 174.863 174.900 0.112 0.000 1.338 118 G CA 0.390 45.545 45.100 0.091 0.000 0.883 118 G HN 2.215 nan 8.290 nan 0.000 0.570 119 T N -3.451 111.158 114.554 0.092 0.000 2.693 119 T HA 1.007 5.357 4.350 -0.000 0.000 0.304 119 T C 0.077 174.751 174.700 -0.043 0.000 1.471 119 T CA 0.540 62.654 62.100 0.024 0.000 0.993 119 T CB 1.113 69.952 68.868 -0.049 0.000 1.554 119 T HN 2.659 nan 8.240 nan 0.000 0.496 120 A N -0.721 122.003 122.820 -0.159 0.000 4.504 120 A HA 0.816 5.136 4.320 -0.000 0.000 0.202 120 A C -1.500 175.961 177.584 -0.205 0.000 0.770 120 A CA -0.784 51.159 52.037 -0.156 0.000 0.714 120 A CB -0.674 18.224 19.000 -0.170 0.000 1.741 120 A HN 1.619 nan 8.150 nan 0.000 0.888 121 Y N 1.029 121.239 120.300 -0.150 0.000 2.823 121 Y HA -0.141 4.409 4.550 -0.000 0.000 0.067 121 Y C 0.351 176.242 175.900 -0.016 0.000 1.990 121 Y CA 0.709 58.745 58.100 -0.107 0.000 1.150 121 Y CB -1.468 36.892 38.460 -0.167 0.000 1.811 121 Y HN 0.748 nan 8.280 nan 0.000 0.302 122 N N -0.384 118.437 118.700 0.202 0.000 2.641 122 N HA -0.221 4.519 4.740 -0.000 0.000 0.267 122 N C 1.066 176.806 175.510 0.383 0.000 1.087 122 N CA 0.882 54.075 53.050 0.239 0.000 0.731 122 N CB -0.478 38.157 38.487 0.247 0.000 0.886 122 N HN 0.797 nan 8.380 nan 0.000 0.547 123 A N 1.423 124.420 122.820 0.296 0.000 2.546 123 A HA -0.042 4.278 4.320 -0.000 0.000 0.190 123 A C 1.182 178.909 177.584 0.238 0.000 1.102 123 A CA 1.339 53.612 52.037 0.394 0.000 0.909 123 A CB -0.895 18.217 19.000 0.186 0.000 0.818 123 A HN 0.625 nan 8.150 nan 0.000 0.557 124 L N -2.393 118.894 121.223 0.105 0.000 2.693 124 L HA 0.360 4.700 4.340 -0.000 0.000 0.292 124 L C -0.018 176.850 176.870 -0.004 0.000 1.243 124 L CA 0.740 55.594 54.840 0.023 0.000 0.903 124 L CB -1.284 40.785 42.059 0.016 0.000 1.160 124 L HN 1.445 nan 8.230 nan 0.000 0.496 125 A N 2.352 125.135 122.820 -0.061 0.000 2.519 125 A HA 0.649 4.969 4.320 -0.000 0.000 0.298 125 A C -2.825 174.697 177.584 -0.103 0.000 0.963 125 A CA -1.095 50.902 52.037 -0.067 0.000 0.624 125 A CB -0.865 18.098 19.000 -0.061 0.000 1.356 125 A HN 0.692 nan 8.150 nan 0.000 0.441 126 P HA 0.618 nan 4.420 nan 0.000 0.276 126 P C -0.410 176.836 177.300 -0.090 0.000 1.244 126 P CA -0.209 62.852 63.100 -0.065 0.000 0.801 126 P CB 0.552 32.233 31.700 -0.032 0.000 1.006 127 K N 0.484 120.838 120.400 -0.077 0.000 2.994 127 K HA 0.469 4.789 4.320 -0.000 0.000 0.231 127 K C 0.203 176.775 176.600 -0.047 0.000 1.174 127 K CA -0.222 56.017 56.287 -0.079 0.000 1.221 127 K CB -0.547 31.909 32.500 -0.073 0.000 1.166 127 K HN 0.661 nan 8.250 nan 0.000 0.453 128 G N -0.416 108.359 108.800 -0.041 0.000 4.220 128 G HA2 0.560 4.520 3.960 -0.000 0.000 0.256 128 G HA3 0.560 4.520 3.960 -0.000 0.000 0.256 128 G C -1.211 173.670 174.900 -0.033 0.000 1.520 128 G CA -0.060 45.021 45.100 -0.031 0.000 0.608 128 G HN 0.221 nan 8.290 nan 0.000 0.415 129 A N 1.575 124.376 122.820 -0.031 0.000 2.530 129 A HA 0.894 5.214 4.320 -0.000 0.000 0.297 129 A C -3.271 174.309 177.584 -0.006 0.000 1.059 129 A CA -0.998 51.026 52.037 -0.021 0.000 0.782 129 A CB 2.567 21.559 19.000 -0.012 0.000 1.301 129 A HN 0.237 nan 8.150 nan 0.000 0.394 130 P HA 0.555 nan 4.420 nan 0.000 0.288 130 P C -0.892 176.434 177.300 0.044 0.000 1.297 130 P CA -0.522 62.589 63.100 0.019 0.000 0.864 130 P CB 1.535 33.240 31.700 0.007 0.000 1.237 131 N N -0.830 117.906 118.700 0.060 0.000 2.989 131 N HA 0.363 5.103 4.740 -0.000 0.000 0.338 131 N C -2.710 172.855 175.510 0.091 0.000 1.369 131 N CA -2.022 51.071 53.050 0.072 0.000 0.794 131 N CB -0.901 37.624 38.487 0.063 0.000 1.359 131 N HN 0.059 nan 8.380 nan 0.000 0.609 132 P HA 0.132 nan 4.420 nan 0.000 0.262 132 P C -0.218 177.136 177.300 0.090 0.000 1.455 132 P CA -0.242 62.908 63.100 0.084 0.000 1.217 132 P CB -0.389 31.349 31.700 0.064 0.000 1.625 133 C N 2.021 121.400 119.300 0.130 0.000 3.017 133 C HA 0.924 5.384 4.460 -0.000 0.000 0.380 133 C C -0.509 174.594 174.990 0.188 0.000 1.583 133 C CA -0.764 58.349 59.018 0.159 0.000 1.616 133 C CB 1.803 29.657 27.740 0.190 0.000 2.145 133 C HN 0.589 nan 8.230 nan 0.000 0.466 134 E N -1.122 119.234 120.200 0.260 0.000 2.427 134 E HA 0.586 4.936 4.350 -0.000 0.000 0.279 134 E C -1.145 175.700 176.600 0.408 0.000 1.120 134 E CA -0.625 55.875 56.400 0.168 0.000 0.869 134 E CB 0.629 30.283 29.700 -0.077 0.000 1.393 134 E HN 1.003 nan 8.360 nan 0.000 0.443 135 W N 0.548 121.879 121.300 0.051 0.000 4.482 135 W HA 0.473 5.133 4.660 -0.000 0.000 0.497 135 W C -0.218 176.326 176.519 0.042 0.000 3.471 135 W CA 0.222 57.592 57.345 0.040 0.000 1.136 135 W CB -0.465 29.017 29.460 0.037 0.000 2.116 135 W HN 0.533 nan 8.180 nan 0.000 0.349 167 H N -0.253 118.533 119.070 -0.472 0.000 2.872 167 H HA 0.559 5.115 4.556 -0.000 0.000 0.252 167 H C -2.126 172.844 175.328 -0.598 0.000 1.426 167 H CA -0.544 55.238 56.048 -0.443 0.000 1.159 167 H CB 1.356 30.887 29.762 -0.384 0.000 1.780 167 H HN 0.783 nan 8.280 nan 0.000 0.439 168 V N 0.655 120.258 119.914 -0.518 0.000 3.208 168 V HA 0.421 4.541 4.120 -0.000 0.000 0.267 168 V C -2.022 174.004 176.094 -0.112 0.000 1.892 168 V CA -0.645 61.482 62.300 -0.289 0.000 0.979 168 V CB 2.257 33.962 31.823 -0.197 0.000 1.319 168 V HN 0.548 nan 8.190 nan 0.000 0.467 169 F N 0.490 120.371 119.950 -0.115 0.000 2.613 169 F HA 0.948 5.474 4.527 -0.000 0.000 0.310 169 F C 0.358 176.134 175.800 -0.039 0.000 1.085 169 F CA 0.713 58.666 58.000 -0.078 0.000 0.945 169 F CB 2.486 41.484 39.000 -0.004 0.000 1.298 169 F HN 0.958 nan 8.300 nan 0.000 0.455 170 G N 1.852 110.735 108.800 0.139 0.000 2.488 170 G HA2 0.463 4.423 3.960 -0.000 0.000 0.301 170 G HA3 0.463 4.423 3.960 -0.000 0.000 0.301 170 G C -2.399 172.545 174.900 0.073 0.000 1.339 170 G CA -0.687 44.472 45.100 0.100 0.000 0.803 170 G HN 0.496 nan 8.290 nan 0.000 0.482 171 Q N -0.499 119.340 119.800 0.065 0.000 2.333 171 Q HA 0.788 5.128 4.340 -0.000 0.000 0.267 171 Q C -0.518 175.511 176.000 0.048 0.000 1.012 171 Q CA 0.260 56.097 55.803 0.058 0.000 0.824 171 Q CB 1.610 30.387 28.738 0.065 0.000 1.290 171 Q HN 1.962 nan 8.270 nan 0.000 0.449 172 A N 4.105 126.954 122.820 0.048 0.000 2.319 172 A HA 0.546 4.866 4.320 -0.000 0.000 0.298 172 A C -2.893 174.730 177.584 0.066 0.000 1.003 172 A CA -0.858 51.211 52.037 0.054 0.000 0.901 172 A CB 0.112 19.142 19.000 0.050 0.000 1.042 172 A HN 0.632 nan 8.150 nan 0.000 0.352 173 P HA 0.952 nan 4.420 nan 0.000 0.310 173 P C -0.887 176.530 177.300 0.195 0.000 1.259 173 P CA -0.798 62.364 63.100 0.104 0.000 0.928 173 P CB 1.544 33.292 31.700 0.080 0.000 1.372 174 Y N -2.926 117.374 120.300 0.000 0.000 3.059 174 Y HA 0.154 4.704 4.550 -0.000 0.000 0.429 174 Y C -0.692 175.194 175.900 -0.025 0.000 1.063 174 Y CA -0.631 57.464 58.100 -0.010 0.000 1.396 174 Y CB -0.303 38.158 38.460 0.000 0.000 1.791 174 Y HN 0.469 nan 8.280 nan 0.000 0.520 175 S N -0.240 114.828 115.700 -1.053 0.000 2.598 175 S HA 0.664 5.134 4.470 -0.000 0.000 0.267 175 S C -0.136 173.887 174.600 -0.962 0.000 1.189 175 S CA 0.112 57.769 58.200 -0.905 0.000 1.010 175 S CB 0.820 63.569 63.200 -0.752 0.000 1.084 175 S HN 1.059 nan 8.310 nan 0.000 0.541 176 G N 0.839 109.224 108.800 -0.691 0.000 3.418 176 G HA2 0.494 4.454 3.960 -0.000 0.000 0.325 176 G HA3 0.494 4.454 3.960 -0.000 0.000 0.325 176 G C 0.136 174.596 174.900 -0.734 0.000 1.556 176 G CA -0.420 44.218 45.100 -0.769 0.000 1.047 176 G HN 0.532 nan 8.290 nan 0.000 0.500 177 I N 0.874 121.216 120.570 -0.380 0.000 4.097 177 I HA 0.185 4.355 4.170 -0.000 0.000 0.198 177 I C 1.259 177.344 176.117 -0.053 0.000 1.006 177 I CA -0.095 61.110 61.300 -0.159 0.000 1.446 177 I CB 0.014 38.015 38.000 0.002 0.000 1.316 177 I HN 0.416 nan 8.210 nan 0.000 0.425 178 N N -1.100 117.659 118.700 0.098 0.000 2.989 178 N HA 0.620 5.360 4.740 -0.000 0.000 0.338 178 N C -1.344 174.309 175.510 0.238 0.000 1.369 178 N CA -0.565 52.612 53.050 0.211 0.000 0.794 178 N CB 1.602 40.167 38.487 0.130 0.000 1.359 178 N HN 0.158 nan 8.380 nan 0.000 0.609 179 I N -0.299 120.395 120.570 0.207 0.000 2.582 179 I HA 0.465 4.635 4.170 -0.000 0.000 0.292 179 I C -1.064 175.168 176.117 0.192 0.000 1.066 179 I CA -0.315 61.119 61.300 0.225 0.000 1.053 179 I CB 2.323 40.473 38.000 0.249 0.000 1.241 179 I HN 0.435 nan 8.210 nan 0.000 0.421 180 T N 2.509 117.166 114.554 0.172 0.000 2.885 180 T HA 0.294 4.644 4.350 -0.000 0.000 0.322 180 T C 0.269 175.007 174.700 0.063 0.000 1.387 180 T CA -0.933 61.242 62.100 0.126 0.000 1.041 180 T CB 2.103 71.024 68.868 0.088 0.000 1.287 180 T HN 0.310 nan 8.240 nan 0.000 0.491 181 K N 1.214 121.644 120.400 0.050 0.000 2.007 181 K HA -0.009 4.311 4.320 -0.000 0.000 0.206 181 K C 2.151 178.754 176.600 0.005 0.000 1.047 181 K CA 1.689 57.973 56.287 -0.005 0.000 0.937 181 K CB -0.195 32.311 32.500 0.009 0.000 0.718 181 K HN 0.824 nan 8.250 nan 0.000 0.438 182 E N -0.692 119.520 120.200 0.021 0.000 2.021 182 E HA -0.117 4.233 4.350 -0.000 0.000 0.200 182 E C 0.584 177.188 176.600 0.006 0.000 1.015 182 E CA 1.398 57.810 56.400 0.020 0.000 0.824 182 E CB -0.273 29.448 29.700 0.035 0.000 0.762 182 E HN 0.209 nan 8.360 nan 0.000 0.454 183 G N 0.556 109.361 108.800 0.009 0.000 3.743 183 G HA2 0.321 4.281 3.960 -0.000 0.000 0.289 183 G HA3 0.321 4.281 3.960 -0.000 0.000 0.289 183 G C -0.263 174.640 174.900 0.006 0.000 2.097 183 G CA -0.715 44.375 45.100 -0.017 0.000 0.624 183 G HN 0.338 nan 8.290 nan 0.000 0.402 184 I N 0.773 121.358 120.570 0.024 0.000 2.731 184 I HA -0.267 3.903 4.170 -0.000 0.000 0.128 184 I C 1.007 177.173 176.117 0.082 0.000 0.881 184 I CA 1.062 62.404 61.300 0.070 0.000 2.785 184 I CB -0.179 37.869 38.000 0.081 0.000 0.556 184 I HN 0.831 nan 8.210 nan 0.000 0.361 185 Q N 3.301 123.144 119.800 0.071 0.000 2.383 185 Q HA -0.195 4.145 4.340 -0.000 0.000 0.359 185 Q C -1.041 174.994 176.000 0.059 0.000 1.291 185 Q CA 1.176 57.019 55.803 0.066 0.000 1.076 185 Q CB -0.649 28.141 28.738 0.086 0.000 1.193 185 Q HN 0.681 nan 8.270 nan 0.000 0.302 186 I N 2.908 123.494 120.570 0.027 0.000 2.315 186 I HA 0.600 4.770 4.170 -0.000 0.000 0.291 186 I C 1.422 177.544 176.117 0.010 0.000 1.006 186 I CA 0.079 61.383 61.300 0.007 0.000 1.265 186 I CB 0.978 38.952 38.000 -0.043 0.000 1.387 186 I HN 0.769 nan 8.210 nan 0.000 0.475 187 G N 4.212 113.027 108.800 0.025 0.000 2.914 187 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.254 187 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.254 187 G C 0.101 175.011 174.900 0.016 0.000 1.449 187 G CA -0.060 45.052 45.100 0.020 0.000 0.925 187 G HN 0.662 nan 8.290 nan 0.000 0.555 188 V N -0.519 119.401 119.914 0.010 0.000 4.472 188 V HA 0.067 4.187 4.120 -0.000 0.000 0.397 188 V C 1.574 177.670 176.094 0.003 0.000 1.823 188 V CA 1.432 63.737 62.300 0.008 0.000 1.781 188 V CB -0.377 31.454 31.823 0.014 0.000 1.044 188 V HN 1.052 nan 8.190 nan 0.000 0.401 189 E N 1.258 121.459 120.200 0.002 0.000 2.826 189 E HA -0.389 3.961 4.350 -0.000 0.000 0.239 189 E C 1.526 178.126 176.600 0.000 0.000 0.999 189 E CA 2.343 58.743 56.400 -0.000 0.000 1.650 189 E CB -0.518 29.179 29.700 -0.005 0.000 1.543 189 E HN 0.766 nan 8.360 nan 0.000 0.437 190 G N -2.354 106.446 108.800 -0.000 0.000 4.250 190 G HA2 0.167 4.127 3.960 -0.000 0.000 0.242 190 G HA3 0.167 4.127 3.960 -0.000 0.000 0.242 190 G C 0.633 175.535 174.900 0.003 0.000 1.075 190 G CA 0.513 45.613 45.100 0.001 0.000 0.846 190 G HN 0.153 nan 8.290 nan 0.000 0.445 191 Q N -0.853 118.949 119.800 0.004 0.000 7.883 191 Q HA -0.076 4.264 4.340 -0.000 0.000 0.366 191 Q C -0.657 175.348 176.000 0.008 0.000 0.942 191 Q CA 0.733 56.540 55.803 0.007 0.000 0.542 191 Q CB -0.279 28.463 28.738 0.007 0.000 0.207 191 Q HN 0.361 nan 8.270 nan 0.000 0.892 192 T N 3.467 118.022 114.554 0.003 0.000 2.756 192 T HA 0.503 4.853 4.350 -0.000 0.000 0.290 192 T C -2.600 172.096 174.700 -0.007 0.000 0.985 192 T CA -1.120 60.982 62.100 0.002 0.000 0.955 192 T CB 1.676 70.543 68.868 -0.002 0.000 0.930 192 T HN 0.067 nan 8.240 nan 0.000 0.451 193 P HA 0.297 nan 4.420 nan 0.000 0.245 193 P C -0.115 177.174 177.300 -0.019 0.000 1.740 193 P CA -0.742 62.356 63.100 -0.004 0.000 1.125 193 P CB 0.224 31.932 31.700 0.014 0.000 1.747 194 K N 3.145 123.507 120.400 -0.063 0.000 2.408 194 K HA -0.192 4.128 4.320 -0.000 0.000 0.247 194 K C 0.569 177.126 176.600 -0.073 0.000 1.048 194 K CA 0.508 56.709 56.287 -0.143 0.000 1.139 194 K CB -0.153 32.260 32.500 -0.146 0.000 0.732 194 K HN 0.466 nan 8.250 nan 0.000 0.474 195 Y N 0.528 120.826 120.300 -0.003 0.000 2.285 195 Y HA 0.157 4.707 4.550 -0.000 0.000 0.356 195 Y C 0.515 176.390 175.900 -0.041 0.000 1.267 195 Y CA -0.728 57.364 58.100 -0.014 0.000 1.574 195 Y CB 0.395 38.854 38.460 -0.003 0.000 1.378 195 Y HN 0.449 nan 8.280 nan 0.000 0.679 196 A N 1.143 124.110 122.820 0.245 0.000 2.690 196 A HA 0.199 4.519 4.320 -0.000 0.000 0.342 196 A C -0.240 177.377 177.584 0.054 0.000 1.410 196 A CA -0.697 51.383 52.037 0.072 0.000 0.958 196 A CB -0.656 18.339 19.000 -0.009 0.000 1.153 196 A HN 0.797 nan 8.150 nan 0.000 0.497 197 D N 3.029 123.497 120.400 0.113 0.000 2.346 197 D HA -0.054 4.586 4.640 -0.000 0.000 0.248 197 D C 0.953 177.252 176.300 -0.003 0.000 1.173 197 D CA 0.486 54.550 54.000 0.108 0.000 0.878 197 D CB 0.108 41.065 40.800 0.263 0.000 0.919 197 D HN 0.893 nan 8.370 nan 0.000 0.513 198 K N -1.092 119.245 120.400 -0.105 0.000 2.827 198 K HA -0.313 4.007 4.320 -0.000 0.000 0.265 198 K C 0.876 177.301 176.600 -0.292 0.000 0.996 198 K CA 1.640 57.796 56.287 -0.219 0.000 0.795 198 K CB -1.957 30.461 32.500 -0.137 0.000 1.237 198 K HN 0.081 nan 8.250 nan 0.000 0.440 199 T N 1.470 115.933 114.554 -0.152 0.000 4.128 199 T HA 0.061 4.411 4.350 -0.000 0.000 0.196 199 T C 1.462 176.115 174.700 -0.079 0.000 0.785 199 T CA 0.675 62.764 62.100 -0.018 0.000 2.485 199 T CB -0.579 68.448 68.868 0.264 0.000 1.654 199 T HN 0.345 nan 8.240 nan 0.000 0.306 200 F N 2.456 122.354 119.950 -0.088 0.000 2.088 200 F HA -0.217 4.310 4.527 -0.000 0.000 0.296 200 F C 1.130 176.868 175.800 -0.104 0.000 1.161 200 F CA 0.496 58.447 58.000 -0.081 0.000 1.236 200 F CB -2.536 36.430 39.000 -0.056 0.000 0.936 200 F HN 0.309 nan 8.300 nan 0.000 0.528 201 Q N 4.379 123.784 119.800 -0.659 0.000 2.478 201 Q HA 0.117 4.457 4.340 -0.000 0.000 0.323 201 Q C -2.302 173.486 176.000 -0.354 0.000 1.087 201 Q CA -0.791 54.731 55.803 -0.470 0.000 1.056 201 Q CB -0.757 27.594 28.738 -0.645 0.000 1.018 201 Q HN 0.402 nan 8.270 nan 0.000 0.387 202 P HA 0.387 nan 4.420 nan 0.000 0.317 202 P C -1.095 176.155 177.300 -0.083 0.000 1.301 202 P CA -0.816 62.194 63.100 -0.149 0.000 0.799 202 P CB 1.486 33.095 31.700 -0.151 0.000 1.344 203 E N -0.607 119.560 120.200 -0.054 0.000 2.454 203 E HA 0.235 4.585 4.350 -0.000 0.000 0.315 203 E C -2.175 174.416 176.600 -0.016 0.000 0.907 203 E CA -1.267 55.122 56.400 -0.018 0.000 0.797 203 E CB 1.034 30.739 29.700 0.010 0.000 1.396 203 E HN 0.260 nan 8.360 nan 0.000 0.389 204 P HA -0.312 nan 4.420 nan 0.000 0.227 204 P C 0.801 178.107 177.300 0.009 0.000 0.988 204 P CA 0.972 64.075 63.100 0.004 0.000 1.033 204 P CB 0.210 31.922 31.700 0.020 0.000 0.631 205 Q N -2.852 116.962 119.800 0.023 0.000 1.914 205 Q HA -0.291 4.049 4.340 -0.000 0.000 0.217 205 Q C 0.896 176.912 176.000 0.027 0.000 2.819 205 Q CA 2.082 57.901 55.803 0.026 0.000 0.438 205 Q CB -1.796 26.955 28.738 0.021 0.000 0.787 205 Q HN 0.273 nan 8.270 nan 0.000 0.466 206 I N -0.015 120.567 120.570 0.020 0.000 3.434 206 I HA 0.314 4.484 4.170 -0.000 0.000 0.212 206 I C 1.079 177.218 176.117 0.037 0.000 1.348 206 I CA 0.893 62.210 61.300 0.027 0.000 0.948 206 I CB -0.029 37.983 38.000 0.020 0.000 1.607 206 I HN 0.568 nan 8.210 nan 0.000 0.907 207 G N -0.058 108.773 108.800 0.052 0.000 2.494 207 G HA2 0.385 4.345 3.960 -0.000 0.000 0.308 207 G HA3 0.385 4.345 3.960 -0.000 0.000 0.308 207 G C -1.835 173.113 174.900 0.080 0.000 1.263 207 G CA -0.707 44.434 45.100 0.068 0.000 0.840 207 G HN 0.706 nan 8.290 nan 0.000 0.479 208 E N 0.331 120.571 120.200 0.066 0.000 2.200 208 E HA 0.417 4.767 4.350 -0.000 0.000 0.283 208 E C 0.271 176.878 176.600 0.012 0.000 1.015 208 E CA -0.286 56.132 56.400 0.031 0.000 0.819 208 E CB 1.722 31.407 29.700 -0.025 0.000 1.081 208 E HN 0.171 nan 8.360 nan 0.000 0.397 209 S N 2.557 118.265 115.700 0.014 0.000 2.559 209 S HA -0.191 4.279 4.470 -0.000 0.000 0.250 209 S C 0.512 175.123 174.600 0.019 0.000 0.977 209 S CA 1.086 59.310 58.200 0.039 0.000 0.958 209 S CB -0.612 62.610 63.200 0.036 0.000 0.751 209 S HN 0.609 nan 8.310 nan 0.000 0.534 210 Q N 0.522 120.243 119.800 -0.131 0.000 2.241 210 Q HA 0.436 4.776 4.340 -0.000 0.000 0.262 210 Q C -0.545 175.342 176.000 -0.189 0.000 1.014 210 Q CA -0.998 54.524 55.803 -0.468 0.000 0.885 210 Q CB 0.926 29.073 28.738 -0.985 0.000 1.311 210 Q HN 0.620 nan 8.270 nan 0.000 0.461 211 W N 0.763 121.813 121.300 -0.417 0.000 1.187 211 W HA 0.382 5.042 4.660 -0.000 0.000 0.297 211 W C -1.531 175.003 176.519 0.025 0.000 0.842 211 W CA -0.828 56.458 57.345 -0.099 0.000 2.286 211 W CB -0.763 28.726 29.460 0.049 0.000 1.736 211 W HN 0.814 nan 8.180 nan 0.000 0.507 212 Y N -1.255 119.014 120.300 -0.052 0.000 2.955 212 Y HA 0.588 5.138 4.550 -0.000 0.000 0.330 212 Y C -1.380 174.474 175.900 -0.077 0.000 1.480 212 Y CA -2.034 56.004 58.100 -0.103 0.000 1.096 212 Y CB 0.416 38.696 38.460 -0.301 0.000 1.828 212 Y HN -0.054 nan 8.280 nan 0.000 0.428 213 E N 0.632 120.954 120.200 0.204 0.000 2.155 213 E HA 0.529 4.879 4.350 -0.000 0.000 0.264 213 E C -1.218 175.456 176.600 0.123 0.000 0.886 213 E CA -0.464 55.997 56.400 0.101 0.000 0.752 213 E CB 1.711 31.447 29.700 0.061 0.000 1.133 213 E HN 0.874 nan 8.360 nan 0.000 0.414 214 T N 3.849 118.448 114.554 0.075 0.000 3.298 214 T HA 0.177 4.527 4.350 -0.000 0.000 0.318 214 T C -0.875 173.826 174.700 0.000 0.000 1.165 214 T CA -0.574 61.559 62.100 0.054 0.000 1.557 214 T CB -0.043 68.895 68.868 0.118 0.000 0.898 214 T HN 0.668 nan 8.240 nan 0.000 0.585 215 E N 1.421 121.620 120.200 -0.001 0.000 2.912 215 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 215 E C -0.643 175.935 176.600 -0.036 0.000 1.990 215 E CA 1.136 57.532 56.400 -0.007 0.000 0.758 215 E CB -0.848 28.847 29.700 -0.008 0.000 1.013 215 E HN 0.904 nan 8.360 nan 0.000 0.334 216 I N 1.392 121.956 120.570 -0.011 0.000 2.842 216 I HA 0.461 4.631 4.170 -0.000 0.000 0.297 216 I C -0.416 175.755 176.117 0.090 0.000 1.380 216 I CA -0.394 60.887 61.300 -0.030 0.000 1.018 216 I CB 2.128 40.070 38.000 -0.097 0.000 1.311 216 I HN 0.164 nan 8.210 nan 0.000 0.439 217 N N 1.596 120.452 118.700 0.259 0.000 1.976 217 N HA 0.060 4.800 4.740 -0.000 0.000 0.273 217 N C -1.050 174.628 175.510 0.279 0.000 1.228 217 N CA -0.004 53.183 53.050 0.228 0.000 0.762 217 N CB 0.213 38.764 38.487 0.108 0.000 1.535 217 N HN 0.735 nan 8.380 nan 0.000 0.577 218 H N 0.881 119.955 119.070 0.006 0.000 2.640 218 H HA 0.842 5.398 4.556 -0.000 0.000 0.297 218 H C 0.070 175.448 175.328 0.082 0.000 1.073 218 H CA -1.132 54.947 56.048 0.052 0.000 1.305 218 H CB 0.719 30.506 29.762 0.040 0.000 1.404 218 H HN 0.198 nan 8.280 nan 0.000 0.459 219 A N 1.622 124.592 122.820 0.250 0.000 2.535 219 A HA 1.004 5.324 4.320 -0.000 0.000 0.296 219 A C -1.021 176.693 177.584 0.217 0.000 1.248 219 A CA -0.216 51.979 52.037 0.263 0.000 0.686 219 A CB 1.300 20.422 19.000 0.203 0.000 1.315 219 A HN 1.041 nan 8.150 nan 0.000 0.460 220 A N -3.048 119.882 122.820 0.184 0.000 2.552 220 A HA 0.901 5.221 4.320 -0.000 0.000 0.308 220 A C 0.149 177.767 177.584 0.057 0.000 1.114 220 A CA 0.499 52.597 52.037 0.101 0.000 0.610 220 A CB -0.128 18.913 19.000 0.067 0.000 1.402 220 A HN 2.575 nan 8.150 nan 0.000 0.563 221 G N -1.099 107.719 108.800 0.030 0.000 3.326 221 G HA2 0.582 4.542 3.960 -0.000 0.000 0.138 221 G HA3 0.582 4.542 3.960 -0.000 0.000 0.138 221 G C -0.496 174.413 174.900 0.015 0.000 1.172 221 G CA 0.772 45.882 45.100 0.016 0.000 1.485 221 G HN 1.414 nan 8.290 nan 0.000 0.725 222 R N -1.275 119.247 120.500 0.036 0.000 5.084 222 R HA 0.486 4.826 4.340 -0.000 0.000 0.244 222 R C -1.752 174.580 176.300 0.052 0.000 0.947 222 R CA 0.179 56.309 56.100 0.050 0.000 1.334 222 R CB 0.912 31.231 30.300 0.032 0.000 1.209 222 R HN 0.891 nan 8.270 nan 0.000 0.675 223 V N 3.891 123.841 119.914 0.060 0.000 3.204 223 V HA 0.684 4.804 4.120 -0.000 0.000 0.308 223 V C -0.890 175.233 176.094 0.047 0.000 1.324 223 V CA -0.718 61.611 62.300 0.050 0.000 1.042 223 V CB 2.088 33.935 31.823 0.040 0.000 1.167 223 V HN 0.623 nan 8.190 nan 0.000 0.478 224 L N -0.071 121.178 121.223 0.042 0.000 2.535 224 L HA 0.700 5.040 4.340 -0.000 0.000 0.259 224 L C -0.418 176.469 176.870 0.029 0.000 1.263 224 L CA -0.666 54.197 54.840 0.039 0.000 1.282 224 L CB 1.990 44.078 42.059 0.049 0.000 1.901 224 L HN 0.661 nan 8.230 nan 0.000 0.572 225 K N -1.178 119.243 120.400 0.034 0.000 2.234 225 K HA 0.288 4.608 4.320 -0.000 0.000 0.263 225 K C 0.140 176.771 176.600 0.051 0.000 1.006 225 K CA -0.496 55.807 56.287 0.027 0.000 0.854 225 K CB 2.230 34.735 32.500 0.009 0.000 1.497 225 K HN 0.461 nan 8.250 nan 0.000 0.417 226 K N -0.652 119.775 120.400 0.045 0.000 2.216 226 K HA 0.029 4.349 4.320 -0.000 0.000 0.207 226 K C 1.779 178.412 176.600 0.054 0.000 1.041 226 K CA 0.828 57.156 56.287 0.068 0.000 0.966 226 K CB -0.690 31.852 32.500 0.069 0.000 0.955 226 K HN 0.498 nan 8.250 nan 0.000 0.468 227 T N 1.647 116.222 114.554 0.035 0.000 2.795 227 T HA -0.128 4.222 4.350 -0.000 0.000 0.266 227 T C 0.316 175.034 174.700 0.030 0.000 1.056 227 T CA 1.611 63.728 62.100 0.028 0.000 1.141 227 T CB -0.675 68.204 68.868 0.018 0.000 0.840 227 T HN 0.359 nan 8.240 nan 0.000 0.493 228 T N 3.757 118.331 114.554 0.033 0.000 2.744 228 T HA 0.450 4.800 4.350 -0.000 0.000 0.291 228 T C -2.534 172.192 174.700 0.043 0.000 0.957 228 T CA -1.269 60.851 62.100 0.033 0.000 1.002 228 T CB 1.503 70.388 68.868 0.028 0.000 0.919 228 T HN 0.157 nan 8.240 nan 0.000 0.468 229 P HA -0.005 nan 4.420 nan 0.000 0.267 229 P C -0.008 177.320 177.300 0.047 0.000 1.195 229 P CA 0.104 63.227 63.100 0.039 0.000 0.773 229 P CB 0.341 32.056 31.700 0.026 0.000 0.837 230 M N 0.308 119.940 119.600 0.052 0.000 2.537 230 M HA 0.755 5.235 4.480 -0.000 0.000 0.324 230 M C -0.492 175.827 176.300 0.031 0.000 1.187 230 M CA -0.413 54.925 55.300 0.063 0.000 0.993 230 M CB 2.426 35.091 32.600 0.109 0.000 1.666 230 M HN 0.143 nan 8.290 nan 0.000 0.461 231 K N 0.131 120.552 120.400 0.034 0.000 2.999 231 K HA 0.451 4.771 4.320 -0.000 0.000 0.295 231 K C -2.780 173.836 176.600 0.027 0.000 1.082 231 K CA -0.814 55.483 56.287 0.017 0.000 0.816 231 K CB 1.417 33.925 32.500 0.013 0.000 1.492 231 K HN 0.384 nan 8.250 nan 0.000 0.362 232 P HA 0.235 nan 4.420 nan 0.000 0.313 232 P C -0.241 177.087 177.300 0.047 0.000 1.419 232 P CA -0.017 63.103 63.100 0.034 0.000 0.842 232 P CB 0.156 31.872 31.700 0.026 0.000 2.041 233 C N -5.996 113.347 119.300 0.071 0.000 3.174 233 C HA 0.598 5.058 4.460 -0.000 0.000 0.367 233 C C -0.346 174.767 174.990 0.205 0.000 3.462 233 C CA -0.367 58.708 59.018 0.095 0.000 1.281 233 C CB -0.163 27.634 27.740 0.095 0.000 3.899 233 C HN 0.565 nan 8.230 nan 0.000 0.452 234 Y N 0.933 121.252 120.300 0.031 0.000 4.782 234 Y HA 0.168 4.718 4.550 -0.000 0.000 0.249 234 Y C 0.227 176.171 175.900 0.073 0.000 1.043 234 Y CA 1.763 59.906 58.100 0.072 0.000 2.093 234 Y CB -1.290 37.202 38.460 0.052 0.000 1.576 234 Y HN 2.523 nan 8.280 nan 0.000 0.686 235 G N 1.243 109.983 108.800 -0.100 0.000 3.175 235 G HA2 0.432 4.392 3.960 -0.000 0.000 0.235 235 G HA3 0.432 4.392 3.960 -0.000 0.000 0.235 235 G C -0.979 173.561 174.900 -0.600 0.000 3.842 235 G CA -0.161 44.619 45.100 -0.532 0.000 0.513 235 G HN 0.688 nan 8.290 nan 0.000 0.341 236 S N 0.623 115.952 115.700 -0.618 0.000 2.647 236 S HA 0.618 5.088 4.470 -0.000 0.000 0.300 236 S C -0.268 174.198 174.600 -0.224 0.000 1.129 236 S CA -0.694 57.319 58.200 -0.312 0.000 1.029 236 S CB 1.857 64.976 63.200 -0.134 0.000 1.007 236 S HN 0.550 nan 8.310 nan 0.000 0.484 237 Y N 2.881 123.054 120.300 -0.211 0.000 2.697 237 Y HA 0.601 5.151 4.550 -0.000 0.000 0.471 237 Y C 0.176 176.068 175.900 -0.014 0.000 1.418 237 Y CA 0.202 58.261 58.100 -0.068 0.000 2.076 237 Y CB 0.031 38.472 38.460 -0.032 0.000 1.805 237 Y HN 0.875 nan 8.280 nan 0.000 0.660 238 A N 1.759 123.480 122.820 -1.832 0.000 0.909 238 A HA 0.195 4.515 4.320 -0.000 0.000 0.189 238 A C -1.102 175.745 177.584 -1.227 0.000 0.906 238 A CA -0.535 50.838 52.037 -1.107 0.000 0.541 238 A CB -1.131 17.566 19.000 -0.505 0.000 0.393 238 A HN 0.628 nan 8.150 nan 0.000 0.323 239 K N 3.548 123.702 120.400 -0.409 0.000 2.307 239 K HA 0.394 4.714 4.320 -0.000 0.000 0.285 239 K C -2.299 174.299 176.600 -0.005 0.000 1.073 239 K CA -1.069 55.270 56.287 0.087 0.000 0.996 239 K CB -0.049 32.575 32.500 0.206 0.000 0.994 239 K HN 0.413 nan 8.250 nan 0.000 0.452 240 P HA -0.097 nan 4.420 nan 0.000 0.264 240 P C -0.298 177.011 177.300 0.015 0.000 1.179 240 P CA 0.276 63.377 63.100 0.002 0.000 0.763 240 P CB 0.633 32.349 31.700 0.025 0.000 0.806 241 T N -1.364 113.194 114.554 0.008 0.000 3.176 241 T HA 0.303 4.653 4.350 -0.000 0.000 0.263 241 T C 0.230 174.937 174.700 0.012 0.000 1.021 241 T CA -0.330 61.779 62.100 0.014 0.000 0.905 241 T CB -0.826 68.052 68.868 0.017 0.000 1.057 241 T HN 0.631 nan 8.240 nan 0.000 0.558 242 N N 0.487 119.190 118.700 0.006 0.000 3.505 242 N HA 0.246 4.986 4.740 -0.000 0.000 0.349 242 N C -0.235 175.266 175.510 -0.016 0.000 1.491 242 N CA -0.857 52.189 53.050 -0.007 0.000 0.859 242 N CB 0.409 38.890 38.487 -0.010 0.000 2.068 242 N HN 0.081 nan 8.380 nan 0.000 0.500 243 E N -1.574 118.601 120.200 -0.041 0.000 2.474 243 E HA 0.275 4.625 4.350 -0.000 0.000 0.215 243 E C 0.213 176.765 176.600 -0.080 0.000 0.867 243 E CA -0.357 56.013 56.400 -0.050 0.000 1.135 243 E CB 0.174 29.842 29.700 -0.054 0.000 1.147 243 E HN 0.334 nan 8.360 nan 0.000 0.534 244 N N 1.023 119.646 118.700 -0.129 0.000 2.550 244 N HA -0.018 4.722 4.740 -0.000 0.000 0.186 244 N C 0.939 176.387 175.510 -0.103 0.000 1.110 244 N CA 1.347 54.267 53.050 -0.216 0.000 0.912 244 N CB 0.993 39.184 38.487 -0.494 0.000 0.968 244 N HN 0.434 nan 8.380 nan 0.000 0.448 245 G N -0.985 107.795 108.800 -0.033 0.000 2.234 245 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.153 245 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.153 245 G C 0.337 175.253 174.900 0.027 0.000 1.013 245 G CA -0.260 44.847 45.100 0.011 0.000 0.712 245 G HN 0.487 nan 8.290 nan 0.000 0.491 246 G N -0.385 108.429 108.800 0.023 0.000 2.503 246 G HA2 0.535 4.495 3.960 -0.000 0.000 0.257 246 G HA3 0.535 4.495 3.960 -0.000 0.000 0.257 246 G C 0.469 175.364 174.900 -0.009 0.000 1.214 246 G CA 0.443 45.555 45.100 0.020 0.000 0.839 246 G HN 0.504 nan 8.290 nan 0.000 0.559 247 Q N 0.266 120.050 119.800 -0.028 0.000 2.040 247 Q HA 0.225 4.565 4.340 -0.000 0.000 0.212 247 Q C 0.798 176.752 176.000 -0.078 0.000 0.766 247 Q CA -0.142 55.613 55.803 -0.081 0.000 0.967 247 Q CB 1.406 30.074 28.738 -0.116 0.000 1.202 247 Q HN 0.599 nan 8.270 nan 0.000 0.446 248 G N 1.987 110.769 108.800 -0.029 0.000 2.335 248 G HA2 0.577 4.537 3.960 -0.000 0.000 0.316 248 G HA3 0.577 4.537 3.960 -0.000 0.000 0.316 248 G C 0.065 174.968 174.900 0.005 0.000 1.129 248 G CA -0.649 44.445 45.100 -0.010 0.000 0.899 248 G HN 0.232 nan 8.290 nan 0.000 0.448 249 I N 0.794 121.367 120.570 0.005 0.000 3.276 249 I HA 0.602 4.772 4.170 -0.000 0.000 0.306 249 I C 0.139 176.271 176.117 0.025 0.000 1.060 249 I CA -0.814 60.495 61.300 0.015 0.000 1.133 249 I CB 0.881 38.891 38.000 0.015 0.000 1.473 249 I HN 0.431 nan 8.210 nan 0.000 0.649 250 L N 1.132 122.369 121.223 0.024 0.000 3.359 250 L HA 0.370 4.710 4.340 -0.000 0.000 0.220 250 L C -0.637 176.245 176.870 0.021 0.000 1.542 250 L CA 0.157 55.012 54.840 0.026 0.000 1.822 250 L CB 0.668 42.745 42.059 0.030 0.000 1.898 250 L HN 0.596 nan 8.230 nan 0.000 0.629 251 V N 2.148 122.073 119.914 0.019 0.000 3.765 251 V HA -0.173 3.947 4.120 -0.000 0.000 0.447 251 V C 0.635 176.737 176.094 0.014 0.000 0.680 251 V CA 0.972 63.282 62.300 0.016 0.000 1.894 251 V CB -1.302 30.530 31.823 0.016 0.000 2.321 251 V HN 0.813 nan 8.190 nan 0.000 0.492 252 K N 1.902 122.309 120.400 0.012 0.000 2.334 252 K HA 0.213 4.533 4.320 -0.000 0.000 0.195 252 K C 1.273 177.878 176.600 0.008 0.000 1.045 252 K CA 1.061 57.354 56.287 0.010 0.000 1.004 252 K CB 0.205 32.710 32.500 0.009 0.000 0.837 252 K HN 0.815 nan 8.250 nan 0.000 0.510 253 Q N 0.064 119.869 119.800 0.008 0.000 1.448 253 Q HA -0.362 3.978 4.340 -0.000 0.000 0.282 253 Q C -0.960 175.044 176.000 0.005 0.000 1.109 253 Q CA 1.539 57.346 55.803 0.007 0.000 0.949 253 Q CB -1.308 27.434 28.738 0.006 0.000 2.495 253 Q HN 0.356 nan 8.270 nan 0.000 0.506 254 Q N 2.651 122.454 119.800 0.004 0.000 2.290 254 Q HA -0.271 4.069 4.340 -0.000 0.000 0.356 254 Q C 0.410 176.411 176.000 0.002 0.000 1.183 254 Q CA 1.249 57.054 55.803 0.003 0.000 1.184 254 Q CB -1.573 27.166 28.738 0.002 0.000 1.368 254 Q HN 0.492 nan 8.270 nan 0.000 0.295 255 N N -1.266 117.435 118.700 0.003 0.000 1.275 255 N HA -0.213 4.527 4.740 -0.000 0.000 0.130 255 N C 0.406 175.918 175.510 0.002 0.000 0.862 255 N CA 0.376 53.427 53.050 0.002 0.000 0.908 255 N CB -1.132 37.356 38.487 0.001 0.000 1.078 255 N HN 0.591 nan 8.380 nan 0.000 0.600 256 G N 0.905 109.706 108.800 0.001 0.000 3.180 256 G HA2 0.217 4.177 3.960 -0.000 0.000 0.246 256 G HA3 0.217 4.177 3.960 -0.000 0.000 0.246 256 G C 0.148 175.049 174.900 0.001 0.000 0.939 256 G CA 0.643 45.744 45.100 0.001 0.000 1.920 256 G HN 0.329 nan 8.290 nan 0.000 0.612 257 K N -0.757 119.645 120.400 0.003 0.000 2.502 257 K HA 0.866 5.186 4.320 -0.000 0.000 0.256 257 K C 0.389 176.993 176.600 0.006 0.000 1.053 257 K CA -0.679 55.609 56.287 0.003 0.000 1.002 257 K CB 1.307 33.809 32.500 0.004 0.000 1.384 257 K HN 0.079 nan 8.250 nan 0.000 0.537 258 L N -1.134 120.095 121.223 0.009 0.000 1.284 258 L HA 0.060 4.400 4.340 -0.000 0.000 0.040 258 L C -1.296 175.585 176.870 0.018 0.000 1.600 258 L CA 0.077 54.925 54.840 0.014 0.000 1.071 258 L CB -0.416 41.651 42.059 0.014 0.000 2.096 258 L HN 0.674 nan 8.230 nan 0.000 0.421 259 E N 1.459 121.669 120.200 0.017 0.000 3.492 259 E HA -0.098 4.252 4.350 -0.000 0.000 0.314 259 E C -0.359 176.260 176.600 0.032 0.000 0.866 259 E CA 1.256 57.670 56.400 0.022 0.000 1.014 259 E CB 0.023 29.731 29.700 0.013 0.000 1.033 259 E HN 0.365 nan 8.360 nan 0.000 0.505 260 S N 2.817 118.547 115.700 0.050 0.000 2.912 260 S HA 0.117 4.587 4.470 -0.000 0.000 0.184 260 S C -0.431 174.228 174.600 0.098 0.000 1.390 260 S CA -0.848 57.394 58.200 0.069 0.000 1.088 260 S CB 0.525 63.775 63.200 0.084 0.000 1.284 260 S HN 0.344 nan 8.310 nan 0.000 0.502 261 Q N 2.002 121.837 119.800 0.059 0.000 2.320 261 Q HA 0.221 4.561 4.340 -0.000 0.000 0.311 261 Q C 0.299 176.307 176.000 0.013 0.000 1.083 261 Q CA 0.404 56.234 55.803 0.044 0.000 1.001 261 Q CB 0.001 28.746 28.738 0.012 0.000 1.074 261 Q HN 0.551 nan 8.270 nan 0.000 0.379 262 V N 1.477 121.380 119.914 -0.018 0.000 4.247 262 V HA 0.643 4.763 4.120 -0.000 0.000 0.311 262 V C -1.127 174.791 176.094 -0.293 0.000 1.570 262 V CA -0.780 61.388 62.300 -0.219 0.000 0.886 262 V CB 1.579 33.135 31.823 -0.445 0.000 1.146 262 V HN 0.740 nan 8.190 nan 0.000 0.470 263 E N 0.012 119.856 120.200 -0.593 0.000 2.439 263 E HA 0.710 5.060 4.350 -0.000 0.000 0.279 263 E C -1.359 175.021 176.600 -0.367 0.000 1.077 263 E CA -0.815 55.368 56.400 -0.361 0.000 0.849 263 E CB 1.030 30.595 29.700 -0.225 0.000 1.408 263 E HN 0.626 nan 8.360 nan 0.000 0.457 264 M N 0.017 119.511 119.600 -0.177 0.000 2.619 264 M HA 0.701 5.181 4.480 -0.000 0.000 0.297 264 M C -0.927 175.217 176.300 -0.260 0.000 1.229 264 M CA -0.967 54.245 55.300 -0.147 0.000 0.860 264 M CB 1.954 34.516 32.600 -0.063 0.000 1.741 264 M HN 0.594 nan 8.290 nan 0.000 0.462 265 Q N 0.399 120.016 119.800 -0.306 0.000 3.348 265 Q HA 0.821 5.161 4.340 -0.000 0.000 0.330 265 Q C -1.257 174.346 176.000 -0.662 0.000 0.928 265 Q CA -0.534 55.013 55.803 -0.428 0.000 0.823 265 Q CB 1.407 30.008 28.738 -0.228 0.000 1.774 265 Q HN 0.660 nan 8.270 nan 0.000 0.433 266 F N -1.502 118.381 119.950 -0.111 0.000 2.950 266 F HA 0.762 5.289 4.527 -0.000 0.000 0.327 266 F C -1.367 174.395 175.800 -0.064 0.000 1.197 266 F CA -0.946 57.012 58.000 -0.070 0.000 0.954 266 F CB 1.948 40.886 39.000 -0.102 0.000 1.442 266 F HN 0.364 nan 8.300 nan 0.000 0.509 267 F N 0.786 120.871 119.950 0.225 0.000 2.740 267 F HA 0.191 4.718 4.527 -0.000 0.000 0.288 267 F C -0.234 175.592 175.800 0.044 0.000 0.894 267 F CA -0.580 57.474 58.000 0.089 0.000 1.135 267 F CB 0.539 39.568 39.000 0.048 0.000 1.414 267 F HN 0.553 nan 8.300 nan 0.000 0.739 268 S N 1.594 117.460 115.700 0.276 0.000 4.199 268 S HA 0.781 5.251 4.470 -0.000 0.000 0.257 268 S C -0.065 174.588 174.600 0.090 0.000 1.079 268 S CA 0.429 58.703 58.200 0.124 0.000 1.498 268 S CB 2.404 65.633 63.200 0.049 0.000 1.260 268 S HN 0.378 nan 8.310 nan 0.000 0.749 269 T N 0.527 115.107 114.554 0.043 0.000 2.614 269 T HA 0.529 4.879 4.350 -0.000 0.000 0.163 269 T C 0.074 174.785 174.700 0.019 0.000 0.806 269 T CA 0.472 62.589 62.100 0.028 0.000 1.020 269 T CB -0.156 68.718 68.868 0.010 0.000 2.539 269 T HN 0.782 nan 8.240 nan 0.000 0.380 280 L N 1.078 122.279 121.223 -0.037 0.000 2.619 280 L HA 0.324 4.664 4.340 -0.000 0.000 0.311 280 L C -1.867 174.962 176.870 -0.068 0.000 1.299 280 L CA 0.151 54.963 54.840 -0.048 0.000 0.664 280 L CB 0.473 42.507 42.059 -0.042 0.000 1.017 280 L HN 0.504 nan 8.230 nan 0.000 0.525 281 T N -2.091 112.416 114.554 -0.079 0.000 3.610 281 T HA 0.416 4.766 4.350 -0.000 0.000 0.419 281 T C -3.039 171.589 174.700 -0.119 0.000 1.582 281 T CA -0.881 61.150 62.100 -0.115 0.000 1.146 281 T CB 1.603 70.404 68.868 -0.111 0.000 1.460 281 T HN -0.069 nan 8.240 nan 0.000 0.465 282 P HA 0.883 nan 4.420 nan 0.000 0.304 282 P C -1.381 175.817 177.300 -0.170 0.000 1.310 282 P CA -0.849 62.149 63.100 -0.170 0.000 0.796 282 P CB 0.927 32.460 31.700 -0.278 0.000 1.297 283 K N -1.018 119.358 120.400 -0.040 0.000 2.132 283 K HA 0.425 4.745 4.320 -0.000 0.000 0.377 283 K C -2.093 174.631 176.600 0.206 0.000 1.694 283 K CA -0.133 56.187 56.287 0.055 0.000 1.105 283 K CB -0.055 32.431 32.500 -0.024 0.000 1.396 283 K HN 0.202 nan 8.250 nan 0.000 0.463 284 V N 2.434 122.562 119.914 0.357 0.000 5.488 284 V HA -0.038 4.082 4.120 -0.000 0.000 0.240 284 V C -1.209 175.026 176.094 0.234 0.000 0.998 284 V CA -0.774 61.696 62.300 0.283 0.000 1.470 284 V CB 1.171 33.135 31.823 0.234 0.000 0.278 284 V HN 0.364 nan 8.190 nan 0.000 0.438 285 V N 6.427 126.423 119.914 0.136 0.000 2.432 285 V HA 0.842 4.962 4.120 -0.000 0.000 0.275 285 V C -0.366 175.716 176.094 -0.020 0.000 1.043 285 V CA -0.030 62.220 62.300 -0.083 0.000 0.925 285 V CB 1.603 33.326 31.823 -0.168 0.000 0.985 285 V HN 0.706 nan 8.190 nan 0.000 0.466 286 L N 6.782 127.983 121.223 -0.036 0.000 2.359 286 L HA 0.627 4.967 4.340 -0.000 0.000 0.256 286 L C -1.258 175.646 176.870 0.056 0.000 1.026 286 L CA -0.332 54.527 54.840 0.032 0.000 0.828 286 L CB 2.101 44.192 42.059 0.052 0.000 1.406 286 L HN 0.629 nan 8.230 nan 0.000 0.413 287 Y N 0.880 121.149 120.300 -0.052 0.000 2.862 287 Y HA 0.802 5.352 4.550 -0.000 0.000 0.347 287 Y C -0.252 175.629 175.900 -0.032 0.000 1.234 287 Y CA 0.604 58.673 58.100 -0.050 0.000 1.204 287 Y CB 1.439 39.867 38.460 -0.053 0.000 1.464 287 Y HN 0.823 nan 8.280 nan 0.000 0.710 288 S N 0.382 116.133 115.700 0.085 0.000 2.677 288 S HA 0.304 4.774 4.470 -0.000 0.000 0.328 288 S C -1.711 172.908 174.600 0.031 0.000 0.762 288 S CA -0.702 57.521 58.200 0.038 0.000 0.740 288 S CB -0.465 62.703 63.200 -0.054 0.000 1.010 288 S HN 0.710 nan 8.310 nan 0.000 0.528 289 E N 3.336 123.597 120.200 0.102 0.000 2.469 289 E HA 0.915 5.265 4.350 -0.000 0.000 0.237 289 E C -1.251 175.375 176.600 0.043 0.000 0.840 289 E CA -1.027 55.423 56.400 0.084 0.000 0.894 289 E CB 0.570 30.360 29.700 0.151 0.000 1.681 289 E HN 0.522 nan 8.360 nan 0.000 0.401 290 D N -1.229 119.192 120.400 0.035 0.000 2.812 290 D HA 0.717 5.357 4.640 -0.000 0.000 0.318 290 D C -1.528 174.775 176.300 0.006 0.000 1.234 290 D CA -0.621 53.389 54.000 0.017 0.000 0.989 290 D CB 2.060 42.869 40.800 0.015 0.000 1.442 290 D HN 0.352 nan 8.370 nan 0.000 0.537 291 V N -0.480 119.431 119.914 -0.004 0.000 3.216 291 V HA 0.211 4.331 4.120 -0.000 0.000 0.273 291 V C -1.724 174.369 176.094 -0.001 0.000 1.664 291 V CA -0.846 61.446 62.300 -0.013 0.000 1.021 291 V CB 2.212 34.002 31.823 -0.056 0.000 1.250 291 V HN 0.610 nan 8.190 nan 0.000 0.463 292 D N 3.690 124.099 120.400 0.016 0.000 2.385 292 D HA 0.238 4.878 4.640 -0.000 0.000 0.260 292 D C 0.134 176.475 176.300 0.069 0.000 1.326 292 D CA 0.711 54.737 54.000 0.044 0.000 1.023 292 D CB 0.103 40.938 40.800 0.059 0.000 1.083 292 D HN 0.550 nan 8.370 nan 0.000 0.517 293 I N 1.914 122.516 120.570 0.054 0.000 3.514 293 I HA 0.321 4.491 4.170 -0.000 0.000 0.300 293 I C -0.171 176.019 176.117 0.121 0.000 1.194 293 I CA -0.434 60.915 61.300 0.082 0.000 0.968 293 I CB 0.939 38.950 38.000 0.019 0.000 1.418 293 I HN 0.260 nan 8.210 nan 0.000 0.614 294 E N 1.142 121.424 120.200 0.137 0.000 2.401 294 E HA 0.194 4.544 4.350 -0.000 0.000 0.283 294 E C -1.494 175.136 176.600 0.050 0.000 1.053 294 E CA -0.783 55.668 56.400 0.084 0.000 0.842 294 E CB 1.429 31.175 29.700 0.077 0.000 1.222 294 E HN 0.527 nan 8.360 nan 0.000 0.429 295 T N -0.532 114.028 114.554 0.009 0.000 2.779 295 T HA 0.569 4.919 4.350 -0.000 0.000 0.280 295 T C -1.968 172.719 174.700 -0.022 0.000 0.987 295 T CA -1.213 60.872 62.100 -0.024 0.000 0.966 295 T CB 1.441 70.299 68.868 -0.017 0.000 0.933 295 T HN 0.321 nan 8.240 nan 0.000 0.442 296 P HA 0.281 nan 4.420 nan 0.000 0.208 296 P C -0.182 177.118 177.300 0.001 0.000 1.131 296 P CA 0.520 63.613 63.100 -0.011 0.000 0.906 296 P CB 0.181 31.894 31.700 0.021 0.000 0.764 297 D N 0.999 121.403 120.400 0.007 0.000 3.057 297 D HA 0.222 4.862 4.640 -0.000 0.000 0.246 297 D C -0.302 176.011 176.300 0.021 0.000 1.238 297 D CA 0.015 54.021 54.000 0.011 0.000 0.949 297 D CB -0.608 40.196 40.800 0.006 0.000 1.086 297 D HN 0.173 nan 8.370 nan 0.000 0.487 298 T N -2.081 112.501 114.554 0.047 0.000 2.890 298 T HA 0.251 4.601 4.350 -0.000 0.000 0.295 298 T C -1.042 173.743 174.700 0.140 0.000 0.993 298 T CA -0.895 61.254 62.100 0.082 0.000 0.979 298 T CB 1.005 69.898 68.868 0.042 0.000 0.967 298 T HN 0.319 nan 8.240 nan 0.000 0.441 299 H N 6.143 125.239 119.070 0.043 0.000 2.887 299 H HA 0.394 4.950 4.556 -0.000 0.000 0.300 299 H C -0.285 175.065 175.328 0.037 0.000 1.038 299 H CA -1.112 54.957 56.048 0.036 0.000 1.352 299 H CB 0.612 30.391 29.762 0.028 0.000 1.473 299 H HN 0.481 nan 8.280 nan 0.000 0.503 300 I N 2.446 122.968 120.570 -0.079 0.000 3.473 300 I HA -0.073 4.097 4.170 -0.000 0.000 0.251 300 I C 1.229 177.161 176.117 -0.308 0.000 1.240 300 I CA 0.056 61.277 61.300 -0.132 0.000 1.030 300 I CB 0.535 38.511 38.000 -0.039 0.000 1.541 300 I HN 0.565 nan 8.210 nan 0.000 0.805 301 S N -0.753 114.853 115.700 -0.155 0.000 2.684 301 S HA 0.184 4.654 4.470 -0.000 0.000 0.268 301 S C -0.806 173.803 174.600 0.015 0.000 1.075 301 S CA 0.135 58.245 58.200 -0.150 0.000 1.184 301 S CB 0.374 63.486 63.200 -0.148 0.000 1.129 301 S HN 0.524 nan 8.310 nan 0.000 0.630 302 Y N 1.847 122.093 120.300 -0.089 0.000 2.462 302 Y HA 0.399 4.949 4.550 -0.000 0.000 0.316 302 Y C -1.025 174.840 175.900 -0.058 0.000 1.163 302 Y CA -1.131 56.930 58.100 -0.065 0.000 1.421 302 Y CB 0.134 38.560 38.460 -0.057 0.000 1.149 302 Y HN 0.086 nan 8.280 nan 0.000 0.513 303 M N 6.618 126.262 119.600 0.074 0.000 2.220 303 M HA 0.245 4.724 4.480 -0.000 0.000 0.343 303 M C -1.677 174.535 176.300 -0.146 0.000 1.470 303 M CA -1.766 53.507 55.300 -0.044 0.000 1.161 303 M CB 0.805 33.397 32.600 -0.014 0.000 1.737 303 M HN 0.268 nan 8.290 nan 0.000 0.464 304 P HA 0.093 nan 4.420 nan 0.000 0.221 304 P C 0.208 177.377 177.300 -0.217 0.000 1.152 304 P CA 0.631 63.494 63.100 -0.394 0.000 0.851 304 P CB 0.384 31.774 31.700 -0.516 0.000 0.833 305 T N -0.020 114.436 114.554 -0.163 0.000 2.876 305 T HA 0.495 4.845 4.350 -0.000 0.000 0.277 305 T C 0.023 174.675 174.700 -0.080 0.000 0.997 305 T CA -0.446 61.586 62.100 -0.114 0.000 0.966 305 T CB 0.768 69.568 68.868 -0.114 0.000 1.312 305 T HN -0.186 nan 8.240 nan 0.000 0.598 306 I N 1.132 121.665 120.570 -0.063 0.000 2.437 306 I HA 0.506 4.676 4.170 -0.000 0.000 0.298 306 I C -0.417 175.676 176.117 -0.040 0.000 0.984 306 I CA -0.410 60.864 61.300 -0.043 0.000 1.214 306 I CB 0.733 38.714 38.000 -0.033 0.000 1.365 306 I HN 0.671 nan 8.210 nan 0.000 0.469 307 K N 4.019 124.401 120.400 -0.029 0.000 2.399 307 K HA 0.714 5.034 4.320 -0.000 0.000 0.260 307 K C -0.910 175.684 176.600 -0.011 0.000 1.049 307 K CA -0.750 55.524 56.287 -0.023 0.000 0.890 307 K CB 1.348 33.833 32.500 -0.026 0.000 1.430 307 K HN 0.161 nan 8.250 nan 0.000 0.459 308 E N -1.074 119.122 120.200 -0.005 0.000 3.313 308 E HA 0.297 4.647 4.350 -0.000 0.000 0.164 308 E C -0.333 176.270 176.600 0.005 0.000 0.947 308 E CA 0.652 57.052 56.400 0.000 0.000 1.390 308 E CB 1.025 30.726 29.700 0.001 0.000 1.058 308 E HN 0.953 nan 8.360 nan 0.000 0.436 309 G N 0.788 109.590 108.800 0.004 0.000 2.253 309 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.190 309 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.190 309 G C -0.483 174.422 174.900 0.009 0.000 1.274 309 G CA -0.512 44.593 45.100 0.009 0.000 1.275 309 G HN 0.207 nan 8.290 nan 0.000 0.518 310 N N 0.687 119.398 118.700 0.018 0.000 2.353 310 N HA 0.509 5.249 4.740 -0.000 0.000 0.248 310 N C 0.360 175.880 175.510 0.018 0.000 1.240 310 N CA 1.473 54.539 53.050 0.027 0.000 0.862 310 N CB 0.872 39.386 38.487 0.045 0.000 1.086 310 N HN 0.722 nan 8.380 nan 0.000 0.453 311 S N 0.757 116.460 115.700 0.006 0.000 3.359 311 S HA 0.569 5.039 4.470 -0.000 0.000 0.323 311 S C -0.488 174.068 174.600 -0.074 0.000 1.143 311 S CA -0.723 57.458 58.200 -0.031 0.000 0.989 311 S CB 0.925 64.088 63.200 -0.063 0.000 1.375 311 S HN 0.700 nan 8.310 nan 0.000 0.728 312 R N 0.536 120.913 120.500 -0.206 0.000 2.471 312 R HA 0.184 4.524 4.340 -0.000 0.000 0.367 312 R C -0.510 175.452 176.300 -0.564 0.000 0.799 312 R CA 0.136 55.937 56.100 -0.499 0.000 1.055 312 R CB -0.383 29.512 30.300 -0.676 0.000 1.704 312 R HN 0.560 nan 8.270 nan 0.000 0.531 313 E N 1.136 121.137 120.200 -0.331 0.000 2.431 313 E HA 0.125 4.475 4.350 -0.000 0.000 0.200 313 E C 1.326 177.786 176.600 -0.233 0.000 0.995 313 E CA -0.102 56.129 56.400 -0.282 0.000 0.915 313 E CB -0.187 29.390 29.700 -0.204 0.000 0.930 313 E HN 0.184 nan 8.360 nan 0.000 0.496 314 L N 0.860 121.965 121.223 -0.198 0.000 2.784 314 L HA -0.007 4.333 4.340 -0.000 0.000 0.247 314 L C 1.291 178.088 176.870 -0.122 0.000 1.162 314 L CA -0.000 54.763 54.840 -0.128 0.000 0.881 314 L CB -1.434 40.576 42.059 -0.081 0.000 1.032 314 L HN 0.152 nan 8.230 nan 0.000 0.446 315 M N 1.126 120.615 119.600 -0.186 0.000 3.208 315 M HA -0.031 4.449 4.480 -0.000 0.000 0.180 315 M C 1.261 177.509 176.300 -0.087 0.000 0.956 315 M CA 1.215 56.426 55.300 -0.149 0.000 0.700 315 M CB -1.408 31.066 32.600 -0.212 0.000 0.624 315 M HN 0.184 nan 8.290 nan 0.000 0.505 316 G N 1.245 109.990 108.800 -0.093 0.000 2.865 316 G HA2 0.321 4.281 3.960 -0.000 0.000 0.292 316 G HA3 0.321 4.281 3.960 -0.000 0.000 0.292 316 G C -0.022 174.842 174.900 -0.060 0.000 0.800 316 G CA -0.194 44.865 45.100 -0.068 0.000 1.838 316 G HN 0.519 nan 8.290 nan 0.000 0.535 317 Q N 0.558 120.331 119.800 -0.046 0.000 2.665 317 Q HA 0.422 4.762 4.340 -0.000 0.000 0.176 317 Q C -0.189 175.805 176.000 -0.010 0.000 1.025 317 Q CA -0.621 55.166 55.803 -0.027 0.000 0.953 317 Q CB 0.895 29.615 28.738 -0.030 0.000 2.143 317 Q HN 0.469 nan 8.270 nan 0.000 0.464 318 Q N 0.084 119.888 119.800 0.008 0.000 2.340 318 Q HA 0.314 4.654 4.340 -0.000 0.000 0.259 318 Q C -0.741 175.243 176.000 -0.026 0.000 0.964 318 Q CA -0.316 55.483 55.803 -0.008 0.000 0.900 318 Q CB 1.979 30.718 28.738 0.003 0.000 1.228 318 Q HN 0.474 nan 8.270 nan 0.000 0.449 319 S N 2.208 117.890 115.700 -0.030 0.000 2.207 319 S HA 0.462 4.932 4.470 -0.000 0.000 0.226 319 S C 0.094 174.680 174.600 -0.023 0.000 1.286 319 S CA -0.520 57.675 58.200 -0.009 0.000 1.004 319 S CB 0.203 63.405 63.200 0.003 0.000 0.907 319 S HN 0.716 nan 8.310 nan 0.000 0.443 320 M N 0.550 120.175 119.600 0.040 0.000 3.096 320 M HA -0.054 4.426 4.480 -0.000 0.000 0.104 320 M C -3.082 173.309 176.300 0.151 0.000 0.815 320 M CA -0.566 54.771 55.300 0.061 0.000 1.115 320 M CB 0.010 32.587 32.600 -0.037 0.000 0.987 320 M HN 0.391 nan 8.290 nan 0.000 0.553 321 P HA 0.466 nan 4.420 nan 0.000 0.287 321 P C -0.937 176.470 177.300 0.178 0.000 1.296 321 P CA -0.310 62.901 63.100 0.185 0.000 0.811 321 P CB 0.624 32.420 31.700 0.161 0.000 1.211 322 N N -1.071 117.678 118.700 0.082 0.000 2.381 322 N HA 0.268 5.008 4.740 -0.000 0.000 0.289 322 N C 0.307 175.768 175.510 -0.082 0.000 1.288 322 N CA -0.482 52.543 53.050 -0.041 0.000 0.960 322 N CB 0.329 38.782 38.487 -0.058 0.000 1.116 322 N HN 0.239 nan 8.380 nan 0.000 0.557 323 R N 0.040 120.450 120.500 -0.150 0.000 2.549 323 R HA 0.340 4.680 4.340 -0.000 0.000 0.267 323 R C -2.207 174.017 176.300 -0.126 0.000 1.045 323 R CA -1.451 54.568 56.100 -0.135 0.000 1.115 323 R CB 0.392 30.609 30.300 -0.138 0.000 1.121 323 R HN 0.437 nan 8.270 nan 0.000 0.543 324 P HA 0.124 nan 4.420 nan 0.000 0.219 324 P C -1.368 176.055 177.300 0.206 0.000 1.847 324 P CA -0.472 62.591 63.100 -0.062 0.000 1.059 324 P CB -0.363 31.093 31.700 -0.407 0.000 1.900 325 N N 0.885 119.666 118.700 0.136 0.000 2.443 325 N HA 0.281 5.021 4.740 -0.000 0.000 0.295 325 N C -0.784 174.893 175.510 0.278 0.000 1.076 325 N CA -0.544 52.628 53.050 0.203 0.000 0.919 325 N CB 0.846 39.330 38.487 -0.004 0.000 1.176 325 N HN -0.096 nan 8.380 nan 0.000 0.487 326 Y N 1.546 121.835 120.300 -0.019 0.000 2.593 326 Y HA 0.561 5.111 4.550 -0.000 0.000 0.330 326 Y C 0.242 176.130 175.900 -0.020 0.000 1.223 326 Y CA -1.255 56.826 58.100 -0.031 0.000 1.350 326 Y CB 1.072 39.551 38.460 0.032 0.000 1.499 326 Y HN 0.439 nan 8.280 nan 0.000 0.554 327 I N 1.326 121.981 120.570 0.142 0.000 2.796 327 I HA 0.363 4.533 4.170 -0.000 0.000 0.277 327 I C -0.304 175.935 176.117 0.204 0.000 1.331 327 I CA -0.085 61.313 61.300 0.164 0.000 0.983 327 I CB 0.283 38.457 38.000 0.290 0.000 1.410 327 I HN 0.612 nan 8.210 nan 0.000 0.561 328 A N 4.430 127.349 122.820 0.166 0.000 3.847 328 A HA 0.837 5.157 4.320 -0.000 0.000 0.152 328 A C -1.137 176.544 177.584 0.162 0.000 1.527 328 A CA -0.167 51.970 52.037 0.166 0.000 1.022 328 A CB 1.137 20.231 19.000 0.158 0.000 1.715 328 A HN 0.302 nan 8.150 nan 0.000 0.650 329 F N -0.463 119.488 119.950 0.001 0.000 2.619 329 F HA 0.417 4.944 4.527 -0.000 0.000 0.308 329 F C 0.307 176.080 175.800 -0.045 0.000 1.097 329 F CA -1.385 56.614 58.000 -0.003 0.000 0.953 329 F CB 1.681 40.712 39.000 0.053 0.000 1.287 329 F HN 0.525 nan 8.300 nan 0.000 0.446 330 R N 2.670 123.384 120.500 0.356 0.000 4.160 330 R HA -0.032 4.308 4.340 -0.000 0.000 0.201 330 R C -0.022 176.133 176.300 -0.242 0.000 2.224 330 R CA 0.730 56.810 56.100 -0.032 0.000 1.808 330 R CB -1.158 29.134 30.300 -0.012 0.000 1.109 330 R HN 0.729 nan 8.270 nan 0.000 0.625 331 D N 0.959 121.224 120.400 -0.224 0.000 3.497 331 D HA -0.278 4.362 4.640 -0.000 0.000 0.178 331 D C -0.420 175.708 176.300 -0.286 0.000 1.185 331 D CA 1.405 55.265 54.000 -0.234 0.000 1.091 331 D CB -0.877 39.806 40.800 -0.194 0.000 0.574 331 D HN 0.315 nan 8.370 nan 0.000 0.650 332 N N 0.449 119.021 118.700 -0.212 0.000 2.982 332 N HA -0.055 4.685 4.740 -0.000 0.000 0.284 332 N C -0.273 175.110 175.510 -0.211 0.000 1.542 332 N CA 0.735 53.688 53.050 -0.162 0.000 1.063 332 N CB -0.863 37.445 38.487 -0.299 0.000 1.445 332 N HN 0.350 nan 8.380 nan 0.000 0.584 333 F N -1.398 118.263 119.950 -0.482 0.000 2.783 333 F HA -0.279 4.248 4.527 -0.000 0.000 0.222 333 F C 0.661 176.098 175.800 -0.605 0.000 1.028 333 F CA -0.193 57.375 58.000 -0.719 0.000 0.862 333 F CB -1.744 37.017 39.000 -0.398 0.000 0.744 333 F HN 0.148 nan 8.300 nan 0.000 0.850 334 I N -0.308 120.009 120.570 -0.420 0.000 3.653 334 I HA 0.471 4.641 4.170 -0.000 0.000 0.268 334 I C 1.656 177.652 176.117 -0.201 0.000 1.287 334 I CA -0.491 60.626 61.300 -0.305 0.000 0.839 334 I CB -0.129 37.698 38.000 -0.289 0.000 1.644 334 I HN 0.310 nan 8.210 nan 0.000 0.767 335 G N 0.916 109.637 108.800 -0.132 0.000 2.369 335 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.286 335 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.286 335 G C -0.044 174.847 174.900 -0.015 0.000 0.938 335 G CA 0.457 45.531 45.100 -0.042 0.000 1.271 335 G HN 0.464 nan 8.290 nan 0.000 0.488 336 L N -0.071 121.119 121.223 -0.055 0.000 3.087 336 L HA 0.528 4.868 4.340 -0.000 0.000 0.169 336 L C 2.037 178.949 176.870 0.069 0.000 1.276 336 L CA 0.093 54.923 54.840 -0.017 0.000 0.865 336 L CB -0.227 41.767 42.059 -0.109 0.000 1.368 336 L HN 0.412 nan 8.230 nan 0.000 0.548 337 M N -0.535 119.064 119.600 -0.002 0.000 2.240 337 M HA 0.044 4.524 4.480 -0.000 0.000 0.333 337 M C -0.604 175.441 176.300 -0.425 0.000 1.110 337 M CA -0.096 54.979 55.300 -0.375 0.000 1.173 337 M CB 0.068 31.988 32.600 -1.134 0.000 1.458 337 M HN 0.027 nan 8.290 nan 0.000 0.458 338 Y N 1.874 121.937 120.300 -0.395 0.000 3.238 338 Y HA -0.021 4.529 4.550 -0.000 0.000 0.368 338 Y C 0.433 176.493 175.900 0.267 0.000 1.038 338 Y CA 0.167 58.289 58.100 0.038 0.000 2.088 338 Y CB -1.858 36.693 38.460 0.151 0.000 2.293 338 Y HN 0.455 nan 8.280 nan 0.000 0.402 339 Y N 0.219 120.569 120.300 0.084 0.000 3.014 339 Y HA -0.285 4.265 4.550 -0.000 0.000 0.414 339 Y C 2.146 178.244 175.900 0.330 0.000 0.805 339 Y CA 1.447 59.696 58.100 0.249 0.000 1.716 339 Y CB -0.506 37.943 38.460 -0.018 0.000 1.440 339 Y HN 0.318 nan 8.280 nan 0.000 0.677 340 N N -0.440 118.541 118.700 0.468 0.000 2.165 340 N HA -0.335 4.405 4.740 -0.000 0.000 0.175 340 N C 0.601 176.243 175.510 0.219 0.000 0.833 340 N CA 1.379 54.600 53.050 0.285 0.000 0.886 340 N CB -0.860 37.740 38.487 0.187 0.000 1.015 340 N HN 0.172 nan 8.380 nan 0.000 0.938 341 S N 1.405 117.239 115.700 0.223 0.000 3.364 341 S HA -0.080 4.390 4.470 -0.000 0.000 0.398 341 S C 0.935 175.601 174.600 0.110 0.000 1.011 341 S CA 0.175 58.481 58.200 0.177 0.000 1.756 341 S CB -0.442 62.941 63.200 0.304 0.000 1.100 341 S HN 0.289 nan 8.310 nan 0.000 0.613 342 T N 4.255 118.842 114.554 0.055 0.000 6.249 342 T HA -0.071 4.279 4.350 -0.000 0.000 0.440 342 T C 1.986 176.651 174.700 -0.057 0.000 0.840 342 T CA 0.463 62.566 62.100 0.006 0.000 0.818 342 T CB -1.257 67.608 68.868 -0.005 0.000 0.859 342 T HN 0.693 nan 8.240 nan 0.000 0.288 343 G N 2.071 110.827 108.800 -0.073 0.000 2.917 343 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.249 343 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.249 343 G C 0.918 175.720 174.900 -0.163 0.000 1.101 343 G CA 1.475 46.513 45.100 -0.103 0.000 0.732 343 G HN 0.745 nan 8.290 nan 0.000 0.650 344 N N 1.382 119.946 118.700 -0.228 0.000 2.605 344 N HA 0.427 5.167 4.740 -0.000 0.000 0.258 344 N C 0.313 175.517 175.510 -0.508 0.000 1.156 344 N CA 0.324 53.096 53.050 -0.464 0.000 1.008 344 N CB -0.072 38.024 38.487 -0.652 0.000 1.354 344 N HN 0.640 nan 8.380 nan 0.000 0.509 345 M N -0.873 118.571 119.600 -0.260 0.000 3.693 345 M HA 0.605 5.085 4.480 -0.000 0.000 0.313 345 M C 0.692 176.878 176.300 -0.190 0.000 1.498 345 M CA -1.065 54.231 55.300 -0.007 0.000 0.845 345 M CB 0.158 32.775 32.600 0.028 0.000 1.920 345 M HN -0.004 nan 8.290 nan 0.000 0.471 346 G N 0.222 108.621 108.800 -0.669 0.000 2.441 346 G HA2 0.560 4.520 3.960 -0.000 0.000 0.258 346 G HA3 0.560 4.520 3.960 -0.000 0.000 0.258 346 G C -0.781 173.692 174.900 -0.712 0.000 1.487 346 G CA -0.150 44.280 45.100 -1.116 0.000 1.058 346 G HN 0.676 nan 8.290 nan 0.000 0.552 347 V N -1.772 117.703 119.914 -0.731 0.000 3.258 347 V HA 0.649 4.769 4.120 -0.000 0.000 0.298 347 V C -1.612 174.217 176.094 -0.441 0.000 1.489 347 V CA -0.369 61.653 62.300 -0.464 0.000 1.062 347 V CB 2.217 33.853 31.823 -0.312 0.000 1.116 347 V HN 1.034 nan 8.190 nan 0.000 0.464 348 L N 1.335 122.390 121.223 -0.281 0.000 4.000 348 L HA 0.704 5.044 4.340 -0.000 0.000 0.243 348 L C -0.628 176.127 176.870 -0.190 0.000 1.026 348 L CA 0.996 55.720 54.840 -0.193 0.000 1.377 348 L CB 0.447 42.370 42.059 -0.226 0.000 1.954 348 L HN 1.146 nan 8.230 nan 0.000 0.710 349 A N 2.717 125.444 122.820 -0.154 0.000 3.785 349 A HA 1.076 5.396 4.320 -0.000 0.000 0.171 349 A C -0.037 177.497 177.584 -0.083 0.000 0.708 349 A CA -0.136 51.825 52.037 -0.128 0.000 0.959 349 A CB 0.639 19.589 19.000 -0.083 0.000 1.828 349 A HN 1.257 nan 8.150 nan 0.000 0.804 350 G N -1.321 107.498 108.800 0.032 0.000 2.733 350 G HA2 0.470 4.430 3.960 -0.000 0.000 0.297 350 G HA3 0.470 4.430 3.960 -0.000 0.000 0.297 350 G C -0.335 174.635 174.900 0.116 0.000 1.422 350 G CA 0.273 45.480 45.100 0.178 0.000 0.942 350 G HN 0.543 nan 8.290 nan 0.000 0.510 351 Q N 0.009 119.886 119.800 0.127 0.000 2.424 351 Q HA 0.346 4.686 4.340 -0.000 0.000 0.204 351 Q C 0.824 176.842 176.000 0.030 0.000 0.933 351 Q CA 1.112 56.951 55.803 0.059 0.000 0.929 351 Q CB 0.303 29.069 28.738 0.047 0.000 1.037 351 Q HN 0.921 nan 8.270 nan 0.000 0.511 352 A N -0.190 122.652 122.820 0.035 0.000 3.346 352 A HA 0.359 4.679 4.320 -0.000 0.000 0.222 352 A C -0.004 177.596 177.584 0.026 0.000 1.138 352 A CA 0.311 52.354 52.037 0.010 0.000 1.074 352 A CB -0.038 18.947 19.000 -0.026 0.000 1.347 352 A HN 0.164 nan 8.150 nan 0.000 0.751 353 S N 0.084 115.825 115.700 0.069 0.000 1.687 353 S HA -0.114 4.356 4.470 -0.000 0.000 0.152 353 S C 1.114 175.746 174.600 0.053 0.000 0.619 353 S CA 1.489 59.738 58.200 0.083 0.000 1.520 353 S CB -0.724 62.611 63.200 0.224 0.000 0.855 353 S HN 1.826 nan 8.310 nan 0.000 0.296 354 Q N 2.677 122.512 119.800 0.058 0.000 2.156 354 Q HA -0.212 4.128 4.340 -0.000 0.000 0.292 354 Q C 0.132 176.117 176.000 -0.025 0.000 1.057 354 Q CA 1.108 56.916 55.803 0.008 0.000 0.965 354 Q CB -2.447 26.293 28.738 0.003 0.000 1.351 354 Q HN 0.830 nan 8.270 nan 0.000 0.559 355 L N 1.924 123.131 121.223 -0.027 0.000 2.415 355 L HA 0.175 4.515 4.340 -0.000 0.000 0.269 355 L C -0.030 176.798 176.870 -0.070 0.000 1.244 355 L CA 0.510 55.328 54.840 -0.036 0.000 1.113 355 L CB -0.815 41.229 42.059 -0.025 0.000 1.352 355 L HN 0.435 nan 8.230 nan 0.000 0.433 356 N N 3.549 122.202 118.700 -0.078 0.000 2.399 356 N HA 0.254 4.994 4.740 -0.000 0.000 0.259 356 N C -0.121 175.323 175.510 -0.110 0.000 1.160 356 N CA 0.225 53.206 53.050 -0.115 0.000 0.946 356 N CB 0.996 39.408 38.487 -0.125 0.000 1.156 356 N HN 0.701 nan 8.380 nan 0.000 0.489 357 A N 3.309 126.062 122.820 -0.112 0.000 3.658 357 A HA 0.484 4.804 4.320 -0.000 0.000 0.188 357 A C 0.297 177.792 177.584 -0.148 0.000 1.601 357 A CA -0.185 51.813 52.037 -0.064 0.000 1.765 357 A CB -0.115 18.923 19.000 0.063 0.000 1.546 357 A HN 0.551 nan 8.150 nan 0.000 0.555 358 V N -0.428 119.447 119.914 -0.064 0.000 4.273 358 V HA -0.148 3.972 4.120 -0.000 0.000 0.450 358 V C -0.498 175.444 176.094 -0.254 0.000 0.683 358 V CA 0.398 62.580 62.300 -0.198 0.000 1.815 358 V CB -2.145 29.349 31.823 -0.549 0.000 2.190 358 V HN 0.807 nan 8.190 nan 0.000 0.492 359 V N 4.750 124.550 119.914 -0.191 0.000 2.630 359 V HA 0.569 4.689 4.120 -0.000 0.000 0.305 359 V C 0.189 176.281 176.094 -0.003 0.000 1.046 359 V CA -0.683 61.502 62.300 -0.190 0.000 0.934 359 V CB 2.160 33.792 31.823 -0.319 0.000 1.003 359 V HN 0.755 nan 8.190 nan 0.000 0.451 360 D N 3.423 123.840 120.400 0.028 0.000 2.514 360 D HA 0.342 4.982 4.640 -0.000 0.000 0.267 360 D C -0.590 175.780 176.300 0.115 0.000 1.165 360 D CA -0.115 53.985 54.000 0.167 0.000 0.958 360 D CB 1.552 42.482 40.800 0.217 0.000 0.992 360 D HN 0.303 nan 8.370 nan 0.000 0.506 361 L N 1.799 123.088 121.223 0.109 0.000 2.290 361 L HA 0.104 4.444 4.340 -0.000 0.000 0.284 361 L C 1.793 178.726 176.870 0.104 0.000 1.078 361 L CA -0.083 54.803 54.840 0.077 0.000 0.815 361 L CB 1.131 43.225 42.059 0.060 0.000 1.162 361 L HN 0.136 nan 8.230 nan 0.000 0.435 362 Q N 1.301 121.146 119.800 0.074 0.000 2.197 362 Q HA -0.181 4.159 4.340 -0.000 0.000 0.207 362 Q C 0.006 176.048 176.000 0.071 0.000 0.984 362 Q CA 1.388 57.231 55.803 0.066 0.000 0.869 362 Q CB -0.084 28.672 28.738 0.031 0.000 0.906 362 Q HN 0.609 nan 8.270 nan 0.000 0.426 363 D N 1.171 121.611 120.400 0.067 0.000 3.008 363 D HA 0.077 4.717 4.640 -0.000 0.000 0.242 363 D C 0.108 176.470 176.300 0.104 0.000 1.222 363 D CA 0.210 54.252 54.000 0.069 0.000 0.883 363 D CB -0.161 40.663 40.800 0.040 0.000 1.110 363 D HN 0.298 nan 8.370 nan 0.000 0.455 364 R N -1.122 119.456 120.500 0.130 0.000 2.829 364 R HA 0.592 4.932 4.340 -0.000 0.000 0.267 364 R C -1.601 174.809 176.300 0.183 0.000 1.051 364 R CA -0.845 55.367 56.100 0.186 0.000 0.927 364 R CB 1.307 31.762 30.300 0.259 0.000 1.292 364 R HN -0.172 nan 8.270 nan 0.000 0.445 365 N N -1.466 117.379 118.700 0.242 0.000 4.091 365 N HA 0.145 4.885 4.740 -0.000 0.000 0.196 365 N C -1.173 174.499 175.510 0.269 0.000 1.048 365 N CA 0.233 53.403 53.050 0.199 0.000 1.120 365 N CB 2.163 40.716 38.487 0.110 0.000 1.637 365 N HN 0.785 nan 8.380 nan 0.000 0.727 366 T N -1.793 112.888 114.554 0.213 0.000 2.964 366 T HA 0.165 4.515 4.350 -0.000 0.000 0.249 366 T C 0.045 174.786 174.700 0.068 0.000 1.000 366 T CA 0.141 62.372 62.100 0.217 0.000 0.992 366 T CB 0.333 69.390 68.868 0.316 0.000 1.087 366 T HN 0.399 nan 8.240 nan 0.000 0.489 367 E N 1.426 121.601 120.200 -0.041 0.000 2.127 367 E HA 0.645 4.995 4.350 -0.000 0.000 0.262 367 E C -0.161 176.523 176.600 0.140 0.000 1.144 367 E CA -0.231 56.214 56.400 0.075 0.000 1.144 367 E CB 0.917 30.508 29.700 -0.181 0.000 1.297 367 E HN 0.177 nan 8.360 nan 0.000 0.469 368 L N -0.467 120.904 121.223 0.248 0.000 3.202 368 L HA 0.137 4.477 4.340 -0.000 0.000 0.166 368 L C 1.621 178.636 176.870 0.242 0.000 1.204 368 L CA 0.687 55.637 54.840 0.183 0.000 0.894 368 L CB -0.629 41.495 42.059 0.108 0.000 1.719 368 L HN 0.283 nan 8.230 nan 0.000 0.562 369 S N -0.289 115.495 115.700 0.141 0.000 2.470 369 S HA -0.308 4.162 4.470 -0.000 0.000 0.255 369 S C 1.099 175.802 174.600 0.172 0.000 1.058 369 S CA 2.201 60.461 58.200 0.099 0.000 1.310 369 S CB -0.861 62.336 63.200 -0.007 0.000 1.222 369 S HN 0.292 nan 8.310 nan 0.000 0.431 370 Y N 1.439 121.758 120.300 0.032 0.000 1.337 370 Y HA -0.448 4.102 4.550 -0.000 0.000 0.087 370 Y C 2.290 178.184 175.900 -0.010 0.000 0.592 370 Y CA 1.597 59.702 58.100 0.008 0.000 0.287 370 Y CB -1.636 36.818 38.460 -0.009 0.000 0.530 370 Y HN 0.308 nan 8.280 nan 0.000 0.824 371 Q N -1.449 118.463 119.800 0.186 0.000 2.726 371 Q HA -0.298 4.042 4.340 -0.000 0.000 0.255 371 Q C 1.485 177.437 176.000 -0.080 0.000 1.486 371 Q CA 2.686 58.493 55.803 0.006 0.000 1.024 371 Q CB -1.718 27.025 28.738 0.008 0.000 0.876 371 Q HN 0.690 nan 8.270 nan 0.000 0.624 372 L N 1.391 122.591 121.223 -0.038 0.000 2.798 372 L HA 0.003 4.343 4.340 -0.000 0.000 0.254 372 L C 1.918 178.788 176.870 -0.000 0.000 1.176 372 L CA 0.761 55.576 54.840 -0.042 0.000 0.991 372 L CB -0.719 41.382 42.059 0.070 0.000 1.225 372 L HN 0.391 nan 8.230 nan 0.000 0.420 373 L N -2.708 118.512 121.223 -0.006 0.000 2.500 373 L HA 0.240 4.580 4.340 -0.000 0.000 0.219 373 L C 1.419 178.273 176.870 -0.025 0.000 1.057 373 L CA 1.194 56.030 54.840 -0.006 0.000 0.854 373 L CB 0.083 42.153 42.059 0.017 0.000 1.078 373 L HN 0.094 nan 8.230 nan 0.000 0.480 374 L N -0.465 120.731 121.223 -0.045 0.000 2.664 374 L HA 0.268 4.608 4.340 -0.000 0.000 0.233 374 L C 1.553 178.362 176.870 -0.101 0.000 1.113 374 L CA 0.235 55.034 54.840 -0.067 0.000 0.896 374 L CB -0.035 41.978 42.059 -0.078 0.000 1.163 374 L HN 0.179 nan 8.230 nan 0.000 0.497 375 D N 0.614 120.930 120.400 -0.140 0.000 2.088 375 D HA -0.100 4.540 4.640 -0.000 0.000 0.196 375 D C 0.764 177.032 176.300 -0.052 0.000 0.983 375 D CA 1.324 55.213 54.000 -0.186 0.000 0.846 375 D CB 0.180 40.844 40.800 -0.226 0.000 0.992 375 D HN 0.179 nan 8.370 nan 0.000 0.448 376 S N -0.080 115.613 115.700 -0.011 0.000 2.473 376 S HA 0.520 4.990 4.470 -0.000 0.000 0.312 376 S C 0.609 175.214 174.600 0.009 0.000 1.087 376 S CA 0.033 58.258 58.200 0.042 0.000 1.077 376 S CB 0.277 63.521 63.200 0.073 0.000 1.065 376 S HN 0.467 nan 8.310 nan 0.000 0.510 377 I N -0.368 120.211 120.570 0.017 0.000 1.554 377 I HA 0.049 4.219 4.170 -0.000 0.000 0.310 377 I C 0.258 176.371 176.117 -0.007 0.000 3.202 377 I CA 0.003 61.298 61.300 -0.008 0.000 1.080 377 I CB -1.136 36.844 38.000 -0.033 0.000 2.589 377 I HN 0.601 nan 8.210 nan 0.000 0.696 378 G N 2.133 110.918 108.800 -0.025 0.000 2.340 378 G HA2 0.371 4.331 3.960 -0.000 0.000 0.245 378 G HA3 0.371 4.331 3.960 -0.000 0.000 0.245 378 G C -0.522 174.352 174.900 -0.043 0.000 1.294 378 G CA 0.783 45.863 45.100 -0.033 0.000 0.896 378 G HN 0.617 nan 8.290 nan 0.000 0.522 379 D N 0.234 120.613 120.400 -0.035 0.000 2.662 379 D HA -0.032 4.608 4.640 -0.000 0.000 0.233 379 D C 1.332 177.568 176.300 -0.107 0.000 1.129 379 D CA 0.439 54.410 54.000 -0.049 0.000 0.851 379 D CB 0.600 41.377 40.800 -0.038 0.000 1.152 379 D HN 0.320 nan 8.370 nan 0.000 0.507 380 R N 1.702 122.130 120.500 -0.120 0.000 2.397 380 R HA 0.002 4.342 4.340 -0.000 0.000 0.241 380 R C 1.392 177.540 176.300 -0.254 0.000 0.914 380 R CA 0.326 56.313 56.100 -0.189 0.000 1.071 380 R CB 0.165 30.377 30.300 -0.147 0.000 1.116 380 R HN 0.566 nan 8.270 nan 0.000 0.524 381 T N -1.578 112.869 114.554 -0.179 0.000 3.072 381 T HA 0.100 4.450 4.350 -0.000 0.000 0.266 381 T C 0.769 175.306 174.700 -0.272 0.000 1.127 381 T CA 0.398 62.405 62.100 -0.156 0.000 1.107 381 T CB 0.199 69.034 68.868 -0.056 0.000 0.910 381 T HN 0.033 nan 8.240 nan 0.000 0.513 382 R N -0.516 119.754 120.500 -0.384 0.000 2.836 382 R HA 0.613 4.953 4.340 -0.000 0.000 0.269 382 R C -1.357 174.632 176.300 -0.519 0.000 1.010 382 R CA -0.903 54.964 56.100 -0.389 0.000 0.930 382 R CB 1.329 31.573 30.300 -0.093 0.000 1.218 382 R HN 0.337 nan 8.270 nan 0.000 0.473 383 Y N -0.039 120.328 120.300 0.112 0.000 2.833 383 Y HA 0.630 5.180 4.550 -0.000 0.000 0.319 383 Y C 0.363 176.396 175.900 0.222 0.000 1.254 383 Y CA -1.098 57.099 58.100 0.163 0.000 1.138 383 Y CB 1.203 39.856 38.460 0.322 0.000 1.352 383 Y HN 0.645 nan 8.280 nan 0.000 0.546 384 F N -0.965 119.131 119.950 0.242 0.000 3.043 384 F HA 0.878 5.405 4.527 -0.000 0.000 0.357 384 F C -0.654 175.117 175.800 -0.050 0.000 1.302 384 F CA -0.943 57.083 58.000 0.043 0.000 1.069 384 F CB 1.365 40.360 39.000 -0.008 0.000 1.539 384 F HN 0.504 nan 8.300 nan 0.000 0.505 385 S N -0.233 115.078 115.700 -0.647 0.000 2.921 385 S HA 0.423 4.893 4.470 -0.000 0.000 0.315 385 S C 0.403 174.198 174.600 -1.341 0.000 1.087 385 S CA -0.339 57.390 58.200 -0.784 0.000 0.877 385 S CB 1.328 64.231 63.200 -0.494 0.000 1.340 385 S HN 1.186 nan 8.310 nan 0.000 0.622 386 M N -2.048 117.079 119.600 -0.788 0.000 2.764 386 M HA -0.320 4.160 4.480 -0.000 0.000 0.132 386 M C 0.737 176.797 176.300 -0.399 0.000 0.716 386 M CA 2.501 57.399 55.300 -0.671 0.000 0.503 386 M CB -1.871 30.168 32.600 -0.935 0.000 1.877 386 M HN 0.677 nan 8.290 nan 0.000 0.253 387 W N 0.355 121.201 121.300 -0.757 0.000 3.127 387 W HA 0.278 4.938 4.660 -0.000 0.000 0.248 387 W C 0.126 176.359 176.519 -0.477 0.000 1.058 387 W CA -0.088 57.001 57.345 -0.425 0.000 1.783 387 W CB 0.502 30.114 29.460 0.254 0.000 1.030 387 W HN 0.391 nan 8.180 nan 0.000 0.653 388 N N 0.700 119.617 118.700 0.362 0.000 4.679 388 N HA -0.153 4.587 4.740 -0.000 0.000 0.287 388 N C -0.293 175.485 175.510 0.447 0.000 0.850 388 N CA 0.273 53.524 53.050 0.333 0.000 0.684 388 N CB -1.696 36.731 38.487 -0.101 0.000 1.601 388 N HN 0.258 nan 8.380 nan 0.000 0.652 389 Q N -0.023 120.161 119.800 0.639 0.000 2.291 389 Q HA 0.319 4.659 4.340 -0.000 0.000 0.211 389 Q C -0.058 176.115 176.000 0.290 0.000 0.925 389 Q CA 0.120 55.939 55.803 0.027 0.000 0.949 389 Q CB 0.155 28.524 28.738 -0.614 0.000 1.015 389 Q HN 0.530 nan 8.270 nan 0.000 0.477 390 A N 1.129 124.094 122.820 0.241 0.000 2.457 390 A HA 0.398 4.718 4.320 -0.000 0.000 0.298 390 A C -0.186 177.328 177.584 -0.117 0.000 1.288 390 A CA -0.390 51.586 52.037 -0.102 0.000 0.956 390 A CB 0.141 18.629 19.000 -0.853 0.000 1.135 390 A HN 0.252 nan 8.150 nan 0.000 0.535 391 V N 2.540 122.538 119.914 0.141 0.000 2.617 391 V HA 0.256 4.376 4.120 -0.000 0.000 0.298 391 V C -0.066 176.036 176.094 0.013 0.000 1.048 391 V CA -0.938 61.420 62.300 0.098 0.000 0.964 391 V CB 1.678 33.623 31.823 0.203 0.000 1.004 391 V HN 0.798 nan 8.190 nan 0.000 0.466 392 D N 2.554 122.939 120.400 -0.025 0.000 2.522 392 D HA 0.178 4.818 4.640 -0.000 0.000 0.218 392 D C 0.620 176.939 176.300 0.031 0.000 1.149 392 D CA 0.121 54.117 54.000 -0.006 0.000 0.981 392 D CB 1.339 42.146 40.800 0.011 0.000 1.041 392 D HN 0.498 nan 8.370 nan 0.000 0.518 393 S N 1.772 117.468 115.700 -0.006 0.000 2.280 393 S HA 0.021 4.491 4.470 -0.000 0.000 0.204 393 S C 0.259 174.694 174.600 -0.275 0.000 1.402 393 S CA 0.223 58.345 58.200 -0.129 0.000 1.162 393 S CB 0.050 63.320 63.200 0.117 0.000 0.673 393 S HN 0.663 nan 8.310 nan 0.000 0.428 394 Y N -1.159 119.078 120.300 -0.106 0.000 2.944 394 Y HA 0.234 4.784 4.550 -0.000 0.000 0.255 394 Y C -0.672 175.078 175.900 -0.250 0.000 0.835 394 Y CA -0.371 57.566 58.100 -0.272 0.000 1.393 394 Y CB -1.419 36.711 38.460 -0.550 0.000 1.118 394 Y HN 0.642 nan 8.280 nan 0.000 0.487 395 D N 2.655 123.090 120.400 0.058 0.000 5.864 395 D HA -0.134 4.506 4.640 -0.000 0.000 0.244 395 D C -1.604 174.653 176.300 -0.072 0.000 1.511 395 D CA 0.871 54.847 54.000 -0.041 0.000 1.451 395 D CB 0.751 41.447 40.800 -0.172 0.000 0.732 395 D HN 0.334 nan 8.370 nan 0.000 0.394 396 P HA -0.107 nan 4.420 nan 0.000 0.222 396 P C 0.407 177.650 177.300 -0.096 0.000 1.147 396 P CA 0.854 63.942 63.100 -0.021 0.000 0.790 396 P CB 0.219 31.929 31.700 0.016 0.000 0.780 397 D N -0.321 119.996 120.400 -0.138 0.000 2.352 397 D HA 0.183 4.823 4.640 -0.000 0.000 0.236 397 D C 0.694 176.904 176.300 -0.150 0.000 1.148 397 D CA 0.068 53.959 54.000 -0.182 0.000 0.844 397 D CB 0.471 41.056 40.800 -0.358 0.000 0.933 397 D HN 0.058 nan 8.370 nan 0.000 0.507 398 V N -0.648 119.126 119.914 -0.232 0.000 3.164 398 V HA 0.422 4.542 4.120 -0.000 0.000 0.312 398 V C 0.110 175.858 176.094 -0.575 0.000 1.612 398 V CA -0.574 61.537 62.300 -0.315 0.000 0.978 398 V CB 2.250 33.892 31.823 -0.301 0.000 1.015 398 V HN 0.051 nan 8.190 nan 0.000 0.484 399 R N -0.705 119.426 120.500 -0.615 0.000 1.186 399 R HA -0.149 4.191 4.340 -0.000 0.000 0.020 399 R C 1.004 177.055 176.300 -0.415 0.000 0.960 399 R CA 2.161 57.812 56.100 -0.748 0.000 1.987 399 R CB -1.950 27.602 30.300 -1.247 0.000 0.142 399 R HN 0.554 nan 8.270 nan 0.000 0.731 400 I N 2.833 123.182 120.570 -0.369 0.000 2.332 400 I HA 0.026 4.196 4.170 -0.000 0.000 0.211 400 I C 1.513 177.547 176.117 -0.138 0.000 1.055 400 I CA 1.862 63.031 61.300 -0.218 0.000 1.366 400 I CB -0.428 37.453 38.000 -0.198 0.000 1.173 400 I HN 0.559 nan 8.210 nan 0.000 0.400 401 I N -0.348 120.174 120.570 -0.080 0.000 2.492 401 I HA 0.206 4.376 4.170 -0.000 0.000 0.246 401 I C -0.645 175.528 176.117 0.093 0.000 1.394 401 I CA -0.383 60.931 61.300 0.024 0.000 1.115 401 I CB -0.060 37.993 38.000 0.088 0.000 1.520 401 I HN 0.259 nan 8.210 nan 0.000 0.466 402 E N 3.906 124.152 120.200 0.077 0.000 2.292 402 E HA 0.050 4.400 4.350 -0.000 0.000 0.265 402 E C 0.313 177.062 176.600 0.248 0.000 1.093 402 E CA 0.036 56.514 56.400 0.131 0.000 0.922 402 E CB 1.167 30.902 29.700 0.059 0.000 1.001 402 E HN 0.416 nan 8.360 nan 0.000 0.444 403 N N 2.913 121.657 118.700 0.074 0.000 2.575 403 N HA -0.047 4.693 4.740 -0.000 0.000 0.275 403 N C 0.337 175.684 175.510 -0.272 0.000 1.202 403 N CA -0.105 52.800 53.050 -0.241 0.000 0.945 403 N CB -0.101 38.324 38.487 -0.104 0.000 1.247 403 N HN 0.490 nan 8.380 nan 0.000 0.510 404 H N -1.322 117.625 119.070 -0.206 0.000 2.540 404 H HA 0.095 4.651 4.556 -0.000 0.000 0.299 404 H C 0.909 176.132 175.328 -0.176 0.000 1.107 404 H CA 0.289 56.249 56.048 -0.147 0.000 1.223 404 H CB -0.617 29.094 29.762 -0.085 0.000 1.340 404 H HN 0.310 nan 8.280 nan 0.000 0.618 405 G N -0.884 107.704 108.800 -0.353 0.000 2.592 405 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.685 405 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.685 405 G C -0.353 174.248 174.900 -0.499 0.000 1.278 405 G CA -0.426 44.482 45.100 -0.320 0.000 0.822 405 G HN 0.216 nan 8.290 nan 0.000 0.652 406 T N 1.379 115.703 114.554 -0.384 0.000 3.377 406 T HA 0.347 4.697 4.350 -0.000 0.000 0.270 406 T C 0.708 175.298 174.700 -0.183 0.000 1.586 406 T CA -0.303 61.570 62.100 -0.377 0.000 1.487 406 T CB 0.389 69.082 68.868 -0.293 0.000 0.994 406 T HN 0.568 nan 8.240 nan 0.000 0.689 407 E N 1.919 122.023 120.200 -0.159 0.000 3.603 407 E HA -0.073 4.277 4.350 -0.000 0.000 0.281 407 E C 0.872 177.438 176.600 -0.057 0.000 1.407 407 E CA -0.032 56.315 56.400 -0.088 0.000 1.463 407 E CB -0.199 29.458 29.700 -0.071 0.000 1.211 407 E HN 0.495 nan 8.360 nan 0.000 0.440 408 D N 0.193 120.564 120.400 -0.049 0.000 2.336 408 D HA -0.065 4.575 4.640 -0.000 0.000 0.228 408 D C -0.018 176.267 176.300 -0.025 0.000 1.120 408 D CA -0.103 53.880 54.000 -0.030 0.000 0.839 408 D CB 0.204 40.995 40.800 -0.015 0.000 0.932 408 D HN -0.042 nan 8.370 nan 0.000 0.509 409 E N 0.729 120.914 120.200 -0.026 0.000 1.999 409 E HA 0.398 4.748 4.350 -0.000 0.000 0.296 409 E C -0.777 175.819 176.600 -0.006 0.000 1.187 409 E CA 0.049 56.440 56.400 -0.016 0.000 1.229 409 E CB -0.263 29.426 29.700 -0.019 0.000 1.131 409 E HN 0.433 nan 8.360 nan 0.000 0.478 410 L N 1.769 122.991 121.223 -0.003 0.000 3.285 410 L HA 0.243 4.583 4.340 -0.000 0.000 0.232 410 L C -2.763 174.113 176.870 0.009 0.000 0.996 410 L CA -1.392 53.455 54.840 0.011 0.000 1.046 410 L CB 1.618 43.684 42.059 0.011 0.000 1.549 410 L HN 0.094 nan 8.230 nan 0.000 0.427 411 P HA 0.300 nan 4.420 nan 0.000 0.284 411 P C -1.551 175.787 177.300 0.063 0.000 1.343 411 P CA -0.146 62.992 63.100 0.063 0.000 0.826 411 P CB 0.091 31.922 31.700 0.218 0.000 0.956 412 N N 3.176 121.819 118.700 -0.094 0.000 2.558 412 N HA 0.248 4.988 4.740 -0.000 0.000 0.233 412 N C -0.612 174.725 175.510 -0.287 0.000 1.038 412 N CA -0.345 52.633 53.050 -0.121 0.000 0.934 412 N CB 0.187 38.596 38.487 -0.130 0.000 1.175 412 N HN 0.358 nan 8.380 nan 0.000 0.512 413 Y N 0.166 120.319 120.300 -0.244 0.000 2.432 413 Y HA 0.429 4.979 4.550 -0.000 0.000 0.322 413 Y C 0.316 175.719 175.900 -0.829 0.000 1.246 413 Y CA -0.955 56.884 58.100 -0.435 0.000 1.268 413 Y CB 1.138 39.430 38.460 -0.280 0.000 1.276 413 Y HN 0.352 nan 8.280 nan 0.000 0.499 414 C N 3.465 122.395 119.300 -0.618 0.000 2.258 414 C HA 0.442 4.902 4.460 -0.000 0.000 0.321 414 C C -0.832 173.805 174.990 -0.590 0.000 1.168 414 C CA -1.354 57.291 59.018 -0.621 0.000 1.531 414 C CB -2.062 25.453 27.740 -0.375 0.000 2.095 414 C HN 0.505 nan 8.230 nan 0.000 0.449 415 F N 3.035 122.932 119.950 -0.088 0.000 2.411 415 F HA 0.431 4.958 4.527 -0.000 0.000 0.355 415 F C -1.114 174.641 175.800 -0.075 0.000 1.117 415 F CA -1.857 56.090 58.000 -0.088 0.000 1.139 415 F CB 0.012 38.981 39.000 -0.052 0.000 1.120 415 F HN 0.416 nan 8.300 nan 0.000 0.493 416 P HA 0.062 nan 4.420 nan 0.000 0.282 416 P C 0.304 177.613 177.300 0.015 0.000 1.273 416 P CA -0.231 62.920 63.100 0.086 0.000 0.809 416 P CB 0.668 32.487 31.700 0.198 0.000 1.246 417 L N -1.992 119.207 121.223 -0.040 0.000 3.229 417 L HA 0.418 4.758 4.340 -0.000 0.000 0.286 417 L C 0.894 177.620 176.870 -0.240 0.000 1.239 417 L CA 0.205 54.908 54.840 -0.228 0.000 1.035 417 L CB 0.314 42.170 42.059 -0.338 0.000 1.408 417 L HN 0.691 nan 8.230 nan 0.000 0.593 418 G N -0.510 108.285 108.800 -0.008 0.000 2.570 418 G HA2 0.393 4.353 3.960 -0.000 0.000 0.072 418 G HA3 0.393 4.353 3.960 -0.000 0.000 0.072 418 G C 0.023 175.008 174.900 0.142 0.000 1.030 418 G CA 0.443 45.611 45.100 0.113 0.000 1.277 418 G HN 0.057 nan 8.290 nan 0.000 0.559 419 G N -1.283 107.604 108.800 0.145 0.000 3.410 419 G HA2 0.580 4.540 3.960 -0.000 0.000 0.127 419 G HA3 0.580 4.540 3.960 -0.000 0.000 0.127 419 G C -0.960 173.971 174.900 0.051 0.000 1.332 419 G CA 1.225 46.386 45.100 0.102 0.000 1.156 419 G HN 1.740 nan 8.290 nan 0.000 0.591 420 V N 0.791 120.737 119.914 0.053 0.000 3.188 420 V HA 0.562 4.682 4.120 -0.000 0.000 0.305 420 V C -0.195 175.932 176.094 0.055 0.000 1.232 420 V CA -0.725 61.593 62.300 0.030 0.000 1.043 420 V CB 2.087 33.905 31.823 -0.009 0.000 1.068 420 V HN 0.435 nan 8.190 nan 0.000 0.439 421 I N 2.680 123.279 120.570 0.048 0.000 3.793 421 I HA 0.215 4.385 4.170 -0.000 0.000 0.315 421 I C 0.809 176.946 176.117 0.034 0.000 1.275 421 I CA 0.325 61.657 61.300 0.054 0.000 1.214 421 I CB -0.438 37.596 38.000 0.057 0.000 1.018 421 I HN 0.698 nan 8.210 nan 0.000 0.439 422 N N 2.845 121.558 118.700 0.022 0.000 2.892 422 N HA -0.007 4.733 4.740 -0.000 0.000 0.300 422 N C 0.489 176.006 175.510 0.012 0.000 1.211 422 N CA -0.150 52.908 53.050 0.013 0.000 1.158 422 N CB 0.154 38.644 38.487 0.004 0.000 1.455 422 N HN 0.308 nan 8.380 nan 0.000 0.524 423 T N -0.730 113.832 114.554 0.014 0.000 2.785 423 T HA -0.057 4.293 4.350 -0.000 0.000 0.341 423 T C 0.257 174.959 174.700 0.004 0.000 1.093 423 T CA -0.112 61.994 62.100 0.010 0.000 1.103 423 T CB 1.216 70.089 68.868 0.009 0.000 1.011 423 T HN 0.594 nan 8.240 nan 0.000 0.549 424 E N -1.000 119.201 120.200 0.001 0.000 2.458 424 E HA 0.572 4.922 4.350 -0.000 0.000 0.278 424 E C -1.524 175.074 176.600 -0.004 0.000 1.004 424 E CA -1.190 55.209 56.400 -0.001 0.000 0.823 424 E CB 1.794 31.494 29.700 -0.001 0.000 1.396 424 E HN 0.577 nan 8.360 nan 0.000 0.463 425 T N 1.668 116.220 114.554 -0.004 0.000 3.974 425 T HA 0.210 4.560 4.350 -0.000 0.000 0.208 425 T C -0.411 174.288 174.700 -0.002 0.000 0.777 425 T CA -0.392 61.706 62.100 -0.004 0.000 1.503 425 T CB -0.371 68.494 68.868 -0.005 0.000 0.853 425 T HN 0.389 nan 8.240 nan 0.000 0.600 426 L N 0.020 121.242 121.223 -0.001 0.000 2.859 426 L HA 0.660 5.000 4.340 -0.000 0.000 0.181 426 L C 1.423 178.296 176.870 0.004 0.000 1.196 426 L CA -0.418 54.421 54.840 -0.001 0.000 1.062 426 L CB 0.277 42.333 42.059 -0.005 0.000 1.961 426 L HN 0.324 nan 8.230 nan 0.000 0.507 427 T N -2.560 111.998 114.554 0.007 0.000 2.709 427 T HA 0.271 4.621 4.350 -0.000 0.000 0.147 427 T C -0.136 174.578 174.700 0.023 0.000 0.821 427 T CA -0.329 61.782 62.100 0.017 0.000 0.830 427 T CB 1.276 70.156 68.868 0.019 0.000 2.347 427 T HN 0.392 nan 8.240 nan 0.000 0.351 428 K N -0.915 119.501 120.400 0.027 0.000 1.761 428 K HA 0.768 5.088 4.320 -0.000 0.000 0.267 428 K C -2.081 174.538 176.600 0.031 0.000 0.747 428 K CA -0.535 55.771 56.287 0.031 0.000 0.496 428 K CB 1.670 34.202 32.500 0.054 0.000 2.314 428 K HN 0.163 nan 8.250 nan 0.000 0.786 429 V N 1.735 121.679 119.914 0.050 0.000 2.825 429 V HA 0.190 4.310 4.120 -0.000 0.000 0.250 429 V C -2.328 173.825 176.094 0.099 0.000 1.755 429 V CA -0.719 61.630 62.300 0.081 0.000 0.875 429 V CB 1.810 33.669 31.823 0.059 0.000 1.280 429 V HN 0.720 nan 8.190 nan 0.000 0.477 430 K N 6.614 127.086 120.400 0.121 0.000 2.572 430 K HA 0.604 4.924 4.320 -0.000 0.000 0.244 430 K C -2.194 174.475 176.600 0.114 0.000 0.965 430 K CA -1.582 54.764 56.287 0.098 0.000 0.943 430 K CB 1.974 34.514 32.500 0.067 0.000 1.154 430 K HN 0.310 nan 8.250 nan 0.000 0.447 431 P HA -0.323 nan 4.420 nan 0.000 0.221 431 P C 0.336 177.607 177.300 -0.049 0.000 1.153 431 P CA 1.619 64.758 63.100 0.065 0.000 0.858 431 P CB 0.079 31.816 31.700 0.062 0.000 0.783 432 K N -3.030 117.361 120.400 -0.016 0.000 4.770 432 K HA -0.233 4.087 4.320 -0.000 0.000 0.417 432 K C 0.104 176.667 176.600 -0.061 0.000 0.474 432 K CA 2.414 58.680 56.287 -0.035 0.000 1.797 432 K CB -2.685 29.785 32.500 -0.049 0.000 1.001 432 K HN 0.145 nan 8.250 nan 0.000 0.567 433 T N -0.990 113.500 114.554 -0.106 0.000 3.429 433 T HA -0.124 4.226 4.350 -0.000 0.000 0.417 433 T C 0.820 175.457 174.700 -0.104 0.000 0.767 433 T CA 1.144 63.172 62.100 -0.120 0.000 2.141 433 T CB -1.920 66.906 68.868 -0.071 0.000 1.699 433 T HN 0.807 nan 8.240 nan 0.000 0.685 434 G N 1.676 110.400 108.800 -0.127 0.000 2.679 434 G HA2 0.032 3.992 3.960 -0.000 0.000 0.185 434 G HA3 0.032 3.992 3.960 -0.000 0.000 0.185 434 G C 1.409 176.255 174.900 -0.090 0.000 1.656 434 G CA 0.597 45.639 45.100 -0.096 0.000 0.892 434 G HN 0.688 nan 8.290 nan 0.000 0.389 435 Q N 0.320 120.064 119.800 -0.092 0.000 2.096 435 Q HA -0.179 4.161 4.340 -0.000 0.000 0.208 435 Q C 1.091 177.042 176.000 -0.081 0.000 0.993 435 Q CA 2.414 58.172 55.803 -0.076 0.000 0.862 435 Q CB -0.402 28.292 28.738 -0.073 0.000 0.915 435 Q HN 0.852 nan 8.270 nan 0.000 0.416 436 E N -0.471 119.658 120.200 -0.118 0.000 2.108 436 E HA 0.091 4.441 4.350 -0.000 0.000 0.135 436 E C -0.457 176.017 176.600 -0.211 0.000 0.799 436 E CA 0.115 56.443 56.400 -0.119 0.000 1.327 436 E CB -0.605 29.052 29.700 -0.072 0.000 1.948 436 E HN 0.484 nan 8.360 nan 0.000 0.575 437 N N 0.753 119.253 118.700 -0.333 0.000 2.425 437 N HA 0.424 5.164 4.740 -0.000 0.000 0.289 437 N C -0.308 174.704 175.510 -0.832 0.000 1.074 437 N CA -0.227 52.407 53.050 -0.692 0.000 0.905 437 N CB 2.365 40.471 38.487 -0.635 0.000 1.586 437 N HN 0.056 nan 8.380 nan 0.000 0.490 438 G N 0.975 109.083 108.800 -1.153 0.000 3.392 438 G HA2 0.492 4.452 3.960 -0.000 0.000 0.188 438 G HA3 0.492 4.452 3.960 -0.000 0.000 0.188 438 G C -0.972 173.558 174.900 -0.616 0.000 1.485 438 G CA -0.715 44.002 45.100 -0.639 0.000 0.943 438 G HN 0.746 nan 8.290 nan 0.000 0.627 439 W N -0.345 120.954 121.300 -0.001 0.000 1.661 439 W HA 0.084 4.743 4.660 -0.000 0.000 0.362 439 W C -0.376 176.144 176.519 0.002 0.000 1.433 439 W CA -0.438 56.907 57.345 -0.000 0.000 0.526 439 W CB -1.047 28.413 29.460 -0.000 0.000 2.577 439 W HN 0.635 nan 8.180 nan 0.000 0.897 440 E N 1.091 121.435 120.200 0.239 0.000 2.537 440 E HA 0.306 4.656 4.350 -0.000 0.000 0.301 440 E C -0.153 176.504 176.600 0.095 0.000 0.990 440 E CA -0.975 55.507 56.400 0.136 0.000 0.828 440 E CB 1.244 31.007 29.700 0.105 0.000 1.243 440 E HN 0.088 nan 8.360 nan 0.000 0.414 441 K N 1.514 121.959 120.400 0.074 0.000 2.344 441 K HA -0.238 4.082 4.320 -0.000 0.000 0.239 441 K C -0.942 175.696 176.600 0.064 0.000 1.163 441 K CA 2.019 58.342 56.287 0.060 0.000 1.148 441 K CB 0.028 32.556 32.500 0.046 0.000 0.644 441 K HN 0.582 nan 8.250 nan 0.000 0.383 442 D N -0.474 119.967 120.400 0.068 0.000 2.837 442 D HA 0.560 5.200 4.640 -0.000 0.000 0.220 442 D C -1.328 175.029 176.300 0.095 0.000 1.236 442 D CA -0.072 53.980 54.000 0.087 0.000 0.838 442 D CB 1.485 42.347 40.800 0.102 0.000 1.647 442 D HN 0.533 nan 8.370 nan 0.000 0.486 447 S N 0.700 116.507 115.700 0.178 0.000 2.746 447 S HA 0.330 4.800 4.470 -0.000 0.000 0.273 447 S C -0.173 174.458 174.600 0.051 0.000 1.172 447 S CA -0.511 57.757 58.200 0.114 0.000 1.116 447 S CB 0.761 64.020 63.200 0.099 0.000 1.057 447 S HN 0.226 nan 8.310 nan 0.000 0.483 448 D N 3.195 123.609 120.400 0.024 0.000 2.188 448 D HA 0.252 4.892 4.640 -0.000 0.000 0.239 448 D C 0.519 176.821 176.300 0.003 0.000 1.059 448 D CA 1.075 55.077 54.000 0.002 0.000 0.931 448 D CB 0.248 41.037 40.800 -0.019 0.000 1.011 448 D HN 0.419 nan 8.370 nan 0.000 0.424 449 K N -0.557 119.841 120.400 -0.004 0.000 1.995 449 K HA 0.532 4.852 4.320 -0.000 0.000 0.244 449 K C -1.019 175.577 176.600 -0.008 0.000 1.045 449 K CA -0.954 55.329 56.287 -0.007 0.000 0.905 449 K CB 0.895 33.387 32.500 -0.014 0.000 1.543 449 K HN 0.250 nan 8.250 nan 0.000 0.609 450 N N 0.339 119.031 118.700 -0.013 0.000 5.160 450 N HA -0.059 4.681 4.740 -0.000 0.000 0.154 450 N C -1.574 173.927 175.510 -0.015 0.000 1.159 450 N CA -0.248 52.792 53.050 -0.015 0.000 1.002 450 N CB 0.427 38.910 38.487 -0.006 0.000 1.603 450 N HN 0.562 nan 8.380 nan 0.000 0.997 451 E N 3.913 124.099 120.200 -0.024 0.000 1.972 451 E HA 0.241 4.591 4.350 -0.000 0.000 0.292 451 E C 0.501 177.098 176.600 -0.004 0.000 1.193 451 E CA -0.007 56.384 56.400 -0.015 0.000 1.228 451 E CB 0.182 29.869 29.700 -0.023 0.000 1.167 451 E HN 0.601 nan 8.360 nan 0.000 0.479 452 I N -1.630 118.942 120.570 0.003 0.000 3.869 452 I HA 0.550 4.720 4.170 -0.000 0.000 0.260 452 I C 0.206 176.334 176.117 0.018 0.000 1.160 452 I CA -1.577 59.732 61.300 0.015 0.000 1.248 452 I CB 0.805 38.813 38.000 0.014 0.000 1.393 452 I HN -0.005 nan 8.210 nan 0.000 0.473 453 R N -0.095 120.418 120.500 0.022 0.000 2.939 453 R HA 0.880 5.220 4.340 -0.000 0.000 0.254 453 R C -2.003 174.303 176.300 0.010 0.000 1.123 453 R CA -0.667 55.443 56.100 0.017 0.000 1.020 453 R CB 2.136 32.452 30.300 0.027 0.000 1.206 453 R HN 0.467 nan 8.270 nan 0.000 0.491 454 V N 1.736 121.653 119.914 0.005 0.000 2.610 454 V HA 0.725 4.845 4.120 -0.000 0.000 0.298 454 V C -0.192 175.902 176.094 0.001 0.000 1.067 454 V CA 0.634 62.935 62.300 0.001 0.000 0.894 454 V CB 1.193 33.014 31.823 -0.004 0.000 1.015 454 V HN 1.175 nan 8.190 nan 0.000 0.432 455 G N 5.292 114.095 108.800 0.004 0.000 2.250 455 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.252 455 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.252 455 G C -0.962 173.947 174.900 0.015 0.000 1.325 455 G CA -0.602 44.502 45.100 0.007 0.000 1.091 455 G HN 0.668 nan 8.290 nan 0.000 0.476 456 N N 0.731 119.445 118.700 0.024 0.000 2.467 456 N HA 0.452 5.192 4.740 -0.000 0.000 0.262 456 N C 0.424 175.971 175.510 0.061 0.000 1.234 456 N CA 0.242 53.314 53.050 0.036 0.000 0.952 456 N CB 0.420 38.935 38.487 0.046 0.000 1.158 456 N HN 0.864 nan 8.380 nan 0.000 0.463 457 N N -0.227 118.514 118.700 0.069 0.000 2.508 457 N HA 0.291 5.031 4.740 -0.000 0.000 0.285 457 N C -0.755 174.888 175.510 0.222 0.000 1.144 457 N CA -0.659 52.458 53.050 0.111 0.000 0.978 457 N CB 0.712 39.232 38.487 0.054 0.000 1.180 457 N HN 0.210 nan 8.380 nan 0.000 0.484 458 F N 0.818 120.806 119.950 0.065 0.000 2.406 458 F HA 0.677 5.204 4.527 -0.000 0.000 0.327 458 F C 0.462 176.369 175.800 0.179 0.000 1.153 458 F CA -0.347 57.713 58.000 0.101 0.000 1.218 458 F CB 0.760 39.810 39.000 0.084 0.000 1.215 458 F HN 0.919 nan 8.300 nan 0.000 0.570 459 A N 3.722 126.147 122.820 -0.659 0.000 2.462 459 A HA 0.699 5.019 4.320 -0.000 0.000 0.299 459 A C -1.753 175.425 177.584 -0.677 0.000 1.047 459 A CA -0.838 50.900 52.037 -0.499 0.000 0.581 459 A CB 0.913 19.983 19.000 0.116 0.000 1.466 459 A HN 0.570 nan 8.150 nan 0.000 0.616 460 M N 0.336 119.759 119.600 -0.295 0.000 2.471 460 M HA 0.417 4.897 4.480 -0.000 0.000 0.284 460 M C -1.283 174.822 176.300 -0.325 0.000 1.203 460 M CA -0.524 54.624 55.300 -0.252 0.000 0.915 460 M CB 1.994 34.424 32.600 -0.283 0.000 1.734 460 M HN 0.787 nan 8.290 nan 0.000 0.485 461 E N 2.123 122.104 120.200 -0.365 0.000 2.248 461 E HA 0.822 5.172 4.350 -0.000 0.000 0.272 461 E C -1.561 174.815 176.600 -0.373 0.000 1.008 461 E CA -0.484 55.582 56.400 -0.557 0.000 0.856 461 E CB 2.558 31.964 29.700 -0.490 0.000 1.120 461 E HN 0.720 nan 8.360 nan 0.000 0.397 462 I N 1.689 122.040 120.570 -0.364 0.000 2.718 462 I HA 0.146 4.316 4.170 -0.000 0.000 0.287 462 I C -1.693 174.296 176.117 -0.213 0.000 1.645 462 I CA -0.471 60.669 61.300 -0.265 0.000 1.030 462 I CB 1.582 39.450 38.000 -0.220 0.000 1.470 462 I HN 0.283 nan 8.210 nan 0.000 0.455 463 N N 6.997 125.594 118.700 -0.172 0.000 3.322 463 N HA 0.231 4.971 4.740 -0.000 0.000 0.290 463 N C 1.098 176.565 175.510 -0.071 0.000 1.297 463 N CA -0.355 52.630 53.050 -0.110 0.000 1.167 463 N CB 0.167 38.602 38.487 -0.086 0.000 1.434 463 N HN 0.747 nan 8.380 nan 0.000 0.526 464 L N -0.734 120.442 121.223 -0.078 0.000 2.351 464 L HA -0.088 4.252 4.340 -0.000 0.000 0.220 464 L C 0.269 177.132 176.870 -0.010 0.000 1.127 464 L CA 1.435 56.244 54.840 -0.051 0.000 0.786 464 L CB -0.449 41.572 42.059 -0.064 0.000 0.914 464 L HN 0.173 nan 8.230 nan 0.000 0.443 465 N N 0.861 119.562 118.700 0.002 0.000 2.521 465 N HA 0.103 4.843 4.740 -0.000 0.000 0.188 465 N C 1.175 176.763 175.510 0.130 0.000 1.146 465 N CA 0.862 53.934 53.050 0.037 0.000 0.893 465 N CB 0.225 38.714 38.487 0.004 0.000 0.975 465 N HN 0.568 nan 8.380 nan 0.000 0.451 466 A N -0.460 122.446 122.820 0.143 0.000 2.600 466 A HA 0.220 4.540 4.320 -0.000 0.000 0.252 466 A C 0.975 178.611 177.584 0.088 0.000 1.200 466 A CA -0.440 51.752 52.037 0.258 0.000 0.981 466 A CB 0.043 19.221 19.000 0.297 0.000 1.207 466 A HN 0.163 nan 8.150 nan 0.000 0.577 467 N N 0.271 118.998 118.700 0.045 0.000 2.467 467 N HA 0.078 4.818 4.740 -0.000 0.000 0.184 467 N C 0.213 175.737 175.510 0.024 0.000 1.106 467 N CA 0.824 53.879 53.050 0.008 0.000 0.892 467 N CB 0.145 38.628 38.487 -0.007 0.000 0.969 467 N HN 0.513 nan 8.380 nan 0.000 0.454 468 L N -3.286 117.976 121.223 0.065 0.000 3.347 468 L HA 0.406 4.746 4.340 -0.000 0.000 0.306 468 L C 0.148 177.139 176.870 0.201 0.000 1.301 468 L CA -0.566 54.322 54.840 0.079 0.000 0.985 468 L CB -0.478 41.597 42.059 0.027 0.000 1.400 468 L HN 0.213 nan 8.230 nan 0.000 0.601 469 W N 0.357 121.684 121.300 0.046 0.000 1.479 469 W HA 0.334 4.994 4.660 -0.000 0.000 0.224 469 W C 0.260 176.806 176.519 0.046 0.000 0.799 469 W CA -0.350 57.031 57.345 0.060 0.000 1.149 469 W CB 0.668 30.125 29.460 -0.004 0.000 0.935 469 W HN 0.215 nan 8.180 nan 0.000 0.454 470 R N 1.008 121.388 120.500 -0.200 0.000 2.513 470 R HA 0.163 4.503 4.340 -0.000 0.000 0.245 470 R C 0.471 176.730 176.300 -0.067 0.000 0.908 470 R CA 0.527 56.445 56.100 -0.304 0.000 1.023 470 R CB -0.453 29.717 30.300 -0.217 0.000 1.338 470 R HN 0.234 nan 8.270 nan 0.000 0.575 471 N N -0.517 118.208 118.700 0.041 0.000 2.258 471 N HA -0.025 4.715 4.740 -0.000 0.000 0.183 471 N C 0.406 176.046 175.510 0.218 0.000 1.029 471 N CA 0.397 53.513 53.050 0.110 0.000 0.857 471 N CB 0.095 38.625 38.487 0.072 0.000 1.008 471 N HN -0.080 nan 8.380 nan 0.000 0.433 472 F N 1.967 121.950 119.950 0.055 0.000 2.726 472 F HA 0.182 4.709 4.527 -0.000 0.000 0.296 472 F C 1.000 176.822 175.800 0.036 0.000 1.250 472 F CA 0.140 58.200 58.000 0.101 0.000 1.434 472 F CB -0.728 38.382 39.000 0.184 0.000 1.043 472 F HN 0.070 nan 8.300 nan 0.000 0.508 473 L N -1.979 119.297 121.223 0.087 0.000 3.099 473 L HA 0.135 4.475 4.340 -0.000 0.000 0.165 473 L C 1.788 178.649 176.870 -0.015 0.000 1.151 473 L CA 0.089 54.861 54.840 -0.113 0.000 0.878 473 L CB -0.733 41.093 42.059 -0.387 0.000 1.615 473 L HN -0.100 nan 8.230 nan 0.000 0.545 474 Y N 1.304 121.516 120.300 -0.148 0.000 2.128 474 Y HA -0.277 4.273 4.550 -0.000 0.000 0.284 474 Y C 2.725 178.574 175.900 -0.085 0.000 1.154 474 Y CA 1.913 59.936 58.100 -0.129 0.000 1.149 474 Y CB 0.131 38.520 38.460 -0.117 0.000 0.976 474 Y HN 0.574 nan 8.280 nan 0.000 0.505 475 S N -0.409 115.366 115.700 0.124 0.000 2.387 475 S HA -0.166 4.304 4.470 -0.000 0.000 0.226 475 S C 1.408 176.079 174.600 0.118 0.000 1.026 475 S CA 1.022 59.242 58.200 0.033 0.000 0.972 475 S CB -0.798 62.421 63.200 0.032 0.000 0.814 475 S HN 0.519 nan 8.310 nan 0.000 0.477 476 N N 1.577 120.352 118.700 0.126 0.000 2.020 476 N HA -0.040 4.700 4.740 -0.000 0.000 0.191 476 N C 1.813 177.195 175.510 -0.213 0.000 1.089 476 N CA 1.952 54.996 53.050 -0.009 0.000 0.879 476 N CB -0.229 38.250 38.487 -0.015 0.000 1.057 476 N HN 0.375 nan 8.380 nan 0.000 0.428 477 I N -0.058 120.387 120.570 -0.209 0.000 2.703 477 I HA 0.111 4.281 4.170 -0.000 0.000 0.259 477 I C 1.095 176.922 176.117 -0.483 0.000 1.151 477 I CA 0.092 61.127 61.300 -0.442 0.000 1.470 477 I CB -0.804 37.102 38.000 -0.158 0.000 1.112 477 I HN 0.007 nan 8.210 nan 0.000 0.437 478 A N 2.228 124.935 122.820 -0.189 0.000 3.377 478 A HA 0.177 4.497 4.320 -0.000 0.000 0.273 478 A C 1.106 178.667 177.584 -0.039 0.000 2.138 478 A CA 0.979 52.979 52.037 -0.062 0.000 1.508 478 A CB -1.345 17.718 19.000 0.105 0.000 0.806 478 A HN 0.660 nan 8.150 nan 0.000 0.576 479 L N -2.155 118.947 121.223 -0.201 0.000 3.160 479 L HA 0.113 4.453 4.340 -0.000 0.000 0.335 479 L C -0.065 176.853 176.870 0.080 0.000 1.008 479 L CA -0.547 54.243 54.840 -0.084 0.000 1.459 479 L CB -0.110 41.881 42.059 -0.114 0.000 2.451 479 L HN 0.435 nan 8.230 nan 0.000 0.588 480 Y N 4.336 124.672 120.300 0.059 0.000 2.620 480 Y HA 0.545 5.095 4.550 -0.000 0.000 0.352 480 Y C -0.049 175.889 175.900 0.063 0.000 1.140 480 Y CA -0.523 57.613 58.100 0.061 0.000 1.529 480 Y CB -0.149 38.351 38.460 0.066 0.000 1.321 480 Y HN 0.011 nan 8.280 nan 0.000 0.501 481 L N 2.991 124.333 121.223 0.199 0.000 2.409 481 L HA 0.653 4.993 4.340 -0.000 0.000 0.255 481 L C -2.743 174.177 176.870 0.082 0.000 1.027 481 L CA -2.924 51.989 54.840 0.122 0.000 0.834 481 L CB 1.303 43.401 42.059 0.064 0.000 1.426 481 L HN 0.177 nan 8.230 nan 0.000 0.411 482 P HA 0.134 nan 4.420 nan 0.000 0.271 482 P C -0.859 176.453 177.300 0.020 0.000 1.216 482 P CA -0.139 62.972 63.100 0.017 0.000 0.776 482 P CB 0.479 32.160 31.700 -0.031 0.000 0.881 483 D N 1.493 121.931 120.400 0.063 0.000 2.881 483 D HA 0.025 4.665 4.640 -0.000 0.000 0.240 483 D C 0.999 177.374 176.300 0.126 0.000 1.249 483 D CA 0.234 54.312 54.000 0.130 0.000 0.839 483 D CB 0.174 41.119 40.800 0.241 0.000 1.042 483 D HN 0.382 nan 8.370 nan 0.000 0.475 484 K N -0.623 119.799 120.400 0.036 0.000 2.344 484 K HA 0.083 4.403 4.320 -0.000 0.000 0.200 484 K C 1.504 178.093 176.600 -0.017 0.000 1.132 484 K CA 0.034 56.337 56.287 0.025 0.000 0.935 484 K CB 0.321 32.816 32.500 -0.009 0.000 1.089 484 K HN 0.001 nan 8.250 nan 0.000 0.496 485 L N 0.995 122.150 121.223 -0.113 0.000 2.286 485 L HA 0.286 4.626 4.340 -0.000 0.000 0.203 485 L C 0.924 177.520 176.870 -0.455 0.000 1.068 485 L CA 0.543 55.228 54.840 -0.258 0.000 0.811 485 L CB -1.705 40.182 42.059 -0.287 0.000 0.989 485 L HN 0.003 nan 8.230 nan 0.000 0.467 486 K N 1.971 122.204 120.400 -0.278 0.000 2.405 486 K HA 0.003 4.323 4.320 -0.000 0.000 0.276 486 K C -0.998 175.532 176.600 -0.117 0.000 1.099 486 K CA 0.277 56.426 56.287 -0.230 0.000 1.120 486 K CB -0.438 32.018 32.500 -0.073 0.000 0.877 486 K HN 0.434 nan 8.250 nan 0.000 0.472 487 Y N 0.191 120.444 120.300 -0.077 0.000 2.477 487 Y HA 0.491 5.041 4.550 -0.000 0.000 0.347 487 Y C -0.531 175.297 175.900 -0.120 0.000 0.981 487 Y CA -1.601 56.437 58.100 -0.105 0.000 1.033 487 Y CB 1.307 39.721 38.460 -0.076 0.000 1.245 487 Y HN 0.245 nan 8.280 nan 0.000 0.455 488 S N 3.513 119.232 115.700 0.032 0.000 2.632 488 S HA 0.355 4.825 4.470 -0.000 0.000 0.267 488 S C -1.736 172.802 174.600 -0.104 0.000 1.276 488 S CA -0.834 57.333 58.200 -0.055 0.000 0.998 488 S CB 1.092 64.212 63.200 -0.134 0.000 0.953 488 S HN 0.749 nan 8.310 nan 0.000 0.547 489 P HA 0.337 nan 4.420 nan 0.000 0.207 489 P C -0.538 176.735 177.300 -0.045 0.000 1.109 489 P CA -0.039 63.002 63.100 -0.097 0.000 0.736 489 P CB 0.164 31.826 31.700 -0.063 0.000 0.912 490 S N -1.295 114.411 115.700 0.011 0.000 2.618 490 S HA 0.378 4.848 4.470 -0.000 0.000 0.277 490 S C -0.225 174.395 174.600 0.034 0.000 1.138 490 S CA -0.650 57.563 58.200 0.021 0.000 0.844 490 S CB 1.358 64.577 63.200 0.032 0.000 1.127 490 S HN 0.381 nan 8.310 nan 0.000 0.474 491 N N -1.088 117.623 118.700 0.019 0.000 2.815 491 N HA -0.161 4.579 4.740 -0.000 0.000 0.247 491 N C 0.247 175.773 175.510 0.026 0.000 1.030 491 N CA 1.018 54.078 53.050 0.018 0.000 0.881 491 N CB -1.768 36.727 38.487 0.013 0.000 1.134 491 N HN 0.747 nan 8.380 nan 0.000 0.582 492 V N -0.988 118.942 119.914 0.025 0.000 2.673 492 V HA 0.245 4.365 4.120 -0.000 0.000 0.303 492 V C 1.010 177.126 176.094 0.036 0.000 1.046 492 V CA 0.307 62.625 62.300 0.030 0.000 1.126 492 V CB 1.336 33.165 31.823 0.010 0.000 0.934 492 V HN 0.065 nan 8.190 nan 0.000 0.487 493 K N 3.963 124.391 120.400 0.047 0.000 3.167 493 K HA 0.524 4.844 4.320 -0.000 0.000 0.208 493 K C -0.598 176.041 176.600 0.064 0.000 1.159 493 K CA -0.183 56.134 56.287 0.050 0.000 1.018 493 K CB 0.020 32.547 32.500 0.045 0.000 0.927 493 K HN 0.852 nan 8.250 nan 0.000 0.476 494 I N 0.623 121.234 120.570 0.068 0.000 2.365 494 I HA 0.151 4.321 4.170 -0.000 0.000 0.291 494 I C -0.156 176.041 176.117 0.134 0.000 1.004 494 I CA -0.431 60.923 61.300 0.090 0.000 1.311 494 I CB 1.408 39.434 38.000 0.043 0.000 1.401 494 I HN 0.129 nan 8.210 nan 0.000 0.491 495 S N 5.834 121.622 115.700 0.147 0.000 2.465 495 S HA 0.024 4.494 4.470 -0.000 0.000 0.280 495 S C 0.470 175.203 174.600 0.222 0.000 1.232 495 S CA -0.790 57.495 58.200 0.140 0.000 1.066 495 S CB -0.056 63.203 63.200 0.097 0.000 0.929 495 S HN 0.569 nan 8.310 nan 0.000 0.494 496 D N 4.072 124.602 120.400 0.216 0.000 2.901 496 D HA -0.097 4.543 4.640 -0.000 0.000 0.225 496 D C -0.274 175.936 176.300 -0.149 0.000 1.191 496 D CA 0.495 54.631 54.000 0.227 0.000 1.262 496 D CB -0.782 40.096 40.800 0.129 0.000 1.198 496 D HN 0.223 nan 8.370 nan 0.000 0.445 497 N N 0.467 119.080 118.700 -0.145 0.000 2.397 497 N HA 0.205 4.945 4.740 -0.000 0.000 0.291 497 N C -2.455 172.939 175.510 -0.193 0.000 1.065 497 N CA -1.798 51.100 53.050 -0.253 0.000 0.884 497 N CB 2.362 40.811 38.487 -0.064 0.000 1.551 497 N HN -0.203 nan 8.380 nan 0.000 0.487 498 P HA 0.212 nan 4.420 nan 0.000 0.259 498 P C -0.097 177.217 177.300 0.023 0.000 1.480 498 P CA 0.447 63.511 63.100 -0.060 0.000 0.842 498 P CB 0.306 31.951 31.700 -0.092 0.000 1.513 499 N N -1.609 117.106 118.700 0.025 0.000 3.419 499 N HA 0.012 4.752 4.740 -0.000 0.000 0.224 499 N C 0.411 175.954 175.510 0.057 0.000 1.114 499 N CA 0.211 53.289 53.050 0.046 0.000 1.144 499 N CB -0.605 37.903 38.487 0.035 0.000 1.459 499 N HN -0.046 nan 8.380 nan 0.000 0.632 500 T N 1.011 115.601 114.554 0.061 0.000 2.939 500 T HA -0.127 4.223 4.350 -0.000 0.000 0.312 500 T C 1.222 176.014 174.700 0.154 0.000 1.064 500 T CA 0.241 62.397 62.100 0.094 0.000 1.136 500 T CB -0.138 68.777 68.868 0.078 0.000 1.035 500 T HN 0.191 nan 8.240 nan 0.000 0.538 501 Y N 3.207 123.505 120.300 -0.003 0.000 2.412 501 Y HA -0.304 4.246 4.550 -0.000 0.000 0.240 501 Y C 1.390 177.299 175.900 0.016 0.000 1.373 501 Y CA 2.667 60.762 58.100 -0.007 0.000 0.990 501 Y CB -0.772 37.674 38.460 -0.023 0.000 0.781 501 Y HN 0.763 nan 8.280 nan 0.000 0.537 502 D N -2.285 118.234 120.400 0.198 0.000 2.361 502 D HA 0.003 4.643 4.640 -0.000 0.000 0.239 502 D C 0.599 177.019 176.300 0.201 0.000 1.200 502 D CA 0.829 54.917 54.000 0.147 0.000 0.915 502 D CB -0.089 40.803 40.800 0.152 0.000 1.170 502 D HN 0.376 nan 8.370 nan 0.000 0.444 503 Y N -1.132 119.180 120.300 0.021 0.000 4.899 503 Y HA -0.371 4.179 4.550 -0.000 0.000 0.241 503 Y C 1.099 177.005 175.900 0.011 0.000 0.976 503 Y CA 1.010 59.125 58.100 0.024 0.000 1.952 503 Y CB -0.731 37.749 38.460 0.033 0.000 1.496 503 Y HN 0.472 nan 8.280 nan 0.000 0.545 504 M N -1.196 118.496 119.600 0.153 0.000 2.231 504 M HA 0.180 4.660 4.480 -0.000 0.000 0.347 504 M C 1.149 177.426 176.300 -0.038 0.000 0.901 504 M CA 0.881 56.228 55.300 0.078 0.000 1.064 504 M CB 0.447 33.081 32.600 0.056 0.000 1.861 504 M HN 0.385 nan 8.290 nan 0.000 0.638 505 N N -0.324 118.319 118.700 -0.095 0.000 2.317 505 N HA 0.083 4.823 4.740 -0.000 0.000 0.199 505 N C 1.145 176.523 175.510 -0.219 0.000 1.145 505 N CA 0.046 52.961 53.050 -0.224 0.000 0.882 505 N CB 0.609 38.863 38.487 -0.389 0.000 1.113 505 N HN 0.039 nan 8.380 nan 0.000 0.486 506 K N -0.287 120.034 120.400 -0.131 0.000 2.399 506 K HA 0.228 4.548 4.320 -0.000 0.000 0.196 506 K C 0.039 176.622 176.600 -0.029 0.000 1.117 506 K CA -0.431 55.796 56.287 -0.101 0.000 0.965 506 K CB 0.410 32.896 32.500 -0.023 0.000 0.983 506 K HN -0.030 nan 8.250 nan 0.000 0.531 507 R N 2.881 123.337 120.500 -0.072 0.000 2.936 507 R HA -0.024 4.316 4.340 -0.000 0.000 0.361 507 R C -0.472 175.823 176.300 -0.007 0.000 0.873 507 R CA 0.259 56.307 56.100 -0.086 0.000 1.041 507 R CB -0.311 29.914 30.300 -0.126 0.000 0.924 507 R HN -0.013 nan 8.270 nan 0.000 0.401 508 V N 6.152 126.088 119.914 0.036 0.000 2.339 508 V HA 0.051 4.171 4.120 -0.000 0.000 0.261 508 V C 1.008 177.158 176.094 0.095 0.000 1.058 508 V CA -0.161 62.176 62.300 0.062 0.000 0.897 508 V CB 1.085 32.950 31.823 0.070 0.000 1.052 508 V HN 0.547 nan 8.190 nan 0.000 0.480 509 V N 6.848 126.761 119.914 -0.001 0.000 2.326 509 V HA 0.613 4.733 4.120 -0.000 0.000 0.164 509 V C 0.856 176.900 176.094 -0.084 0.000 0.987 509 V CA 1.019 63.218 62.300 -0.169 0.000 1.308 509 V CB 0.817 32.491 31.823 -0.249 0.000 0.794 509 V HN 1.187 nan 8.190 nan 0.000 0.448 510 A N -0.378 122.363 122.820 -0.132 0.000 2.457 510 A HA 0.729 5.049 4.320 -0.000 0.000 0.283 510 A C -2.083 175.430 177.584 -0.118 0.000 1.166 510 A CA -0.967 51.006 52.037 -0.107 0.000 0.740 510 A CB 1.267 20.171 19.000 -0.159 0.000 1.181 510 A HN 0.510 nan 8.150 nan 0.000 0.446 511 P HA -0.068 nan 4.420 nan 0.000 0.222 511 P C 1.418 178.552 177.300 -0.276 0.000 1.147 511 P CA 1.566 64.536 63.100 -0.216 0.000 0.790 511 P CB 0.316 31.991 31.700 -0.041 0.000 0.780 512 G N -0.540 108.160 108.800 -0.167 0.000 3.229 512 G HA2 0.032 3.992 3.960 -0.000 0.000 0.214 512 G HA3 0.032 3.992 3.960 -0.000 0.000 0.214 512 G C 0.768 175.633 174.900 -0.058 0.000 1.256 512 G CA 0.210 45.245 45.100 -0.107 0.000 1.042 512 G HN 0.333 nan 8.290 nan 0.000 0.497 513 L N -2.629 118.505 121.223 -0.148 0.000 3.227 513 L HA 0.309 4.649 4.340 -0.000 0.000 0.287 513 L C -0.042 176.687 176.870 -0.234 0.000 1.161 513 L CA -0.234 54.556 54.840 -0.083 0.000 1.048 513 L CB 0.231 42.241 42.059 -0.082 0.000 1.541 513 L HN -0.104 nan 8.230 nan 0.000 0.590 514 V N 0.480 120.150 119.914 -0.408 0.000 2.304 514 V HA 0.609 4.729 4.120 -0.000 0.000 0.262 514 V C -1.206 174.463 176.094 -0.710 0.000 1.061 514 V CA -0.077 61.882 62.300 -0.569 0.000 0.872 514 V CB 0.141 31.478 31.823 -0.809 0.000 1.077 514 V HN 0.133 nan 8.190 nan 0.000 0.480 515 D N 1.933 121.863 120.400 -0.784 0.000 2.622 515 D HA 0.404 5.044 4.640 -0.000 0.000 0.255 515 D C -0.094 175.802 176.300 -0.673 0.000 1.246 515 D CA -0.495 52.971 54.000 -0.891 0.000 0.795 515 D CB 1.687 41.549 40.800 -1.563 0.000 1.369 515 D HN 0.554 nan 8.370 nan 0.000 0.425 516 C N 1.989 120.984 119.300 -0.509 0.000 2.389 516 C HA 0.237 4.697 4.460 -0.000 0.000 0.416 516 C C 0.631 175.680 174.990 0.097 0.000 1.304 516 C CA -0.679 58.144 59.018 -0.326 0.000 1.675 516 C CB -2.326 25.207 27.740 -0.345 0.000 1.989 516 C HN 0.493 nan 8.230 nan 0.000 0.591 517 Y N -1.451 118.846 120.300 -0.006 0.000 2.672 517 Y HA 0.620 5.170 4.550 -0.000 0.000 0.252 517 Y C -0.375 175.540 175.900 0.026 0.000 1.132 517 Y CA -2.626 55.495 58.100 0.036 0.000 1.228 517 Y CB -1.074 37.397 38.460 0.018 0.000 1.310 517 Y HN 0.283 nan 8.280 nan 0.000 0.549 518 I N 1.398 122.229 120.570 0.435 0.000 2.603 518 I HA 0.419 4.589 4.170 -0.000 0.000 0.300 518 I C 0.507 176.706 176.117 0.138 0.000 1.017 518 I CA -0.180 61.268 61.300 0.247 0.000 1.098 518 I CB 1.619 39.747 38.000 0.213 0.000 1.279 518 I HN 0.249 nan 8.210 nan 0.000 0.437 519 N N 3.522 122.264 118.700 0.071 0.000 2.707 519 N HA -0.264 4.476 4.740 -0.000 0.000 0.245 519 N C -0.280 175.287 175.510 0.096 0.000 1.103 519 N CA 1.132 54.217 53.050 0.058 0.000 0.882 519 N CB -1.276 37.233 38.487 0.036 0.000 1.160 519 N HN 0.514 nan 8.380 nan 0.000 0.587 520 L N -0.344 120.959 121.223 0.134 0.000 2.884 520 L HA -0.205 4.135 4.340 -0.000 0.000 0.294 520 L C 1.627 178.545 176.870 0.079 0.000 1.164 520 L CA 1.363 56.288 54.840 0.141 0.000 0.918 520 L CB -0.332 41.817 42.059 0.151 0.000 1.281 520 L HN 0.623 nan 8.230 nan 0.000 0.478 521 G N 1.363 110.198 108.800 0.058 0.000 2.797 521 G HA2 0.018 3.978 3.960 -0.000 0.000 0.195 521 G HA3 0.018 3.978 3.960 -0.000 0.000 0.195 521 G C -0.007 174.912 174.900 0.032 0.000 1.026 521 G CA 0.101 45.218 45.100 0.028 0.000 0.759 521 G HN 0.995 nan 8.290 nan 0.000 0.475 522 A N -0.387 122.470 122.820 0.061 0.000 3.421 522 A HA 0.959 5.279 4.320 -0.000 0.000 0.174 522 A C 0.038 177.679 177.584 0.095 0.000 0.804 522 A CA 0.324 52.401 52.037 0.067 0.000 1.121 522 A CB 0.537 19.579 19.000 0.071 0.000 1.911 522 A HN 0.528 nan 8.150 nan 0.000 0.759 523 R N -3.007 117.556 120.500 0.105 0.000 2.846 523 R HA 0.613 4.953 4.340 -0.000 0.000 0.263 523 R C -1.875 174.555 176.300 0.217 0.000 1.080 523 R CA -0.276 55.894 56.100 0.118 0.000 0.961 523 R CB 2.115 32.443 30.300 0.047 0.000 1.231 523 R HN 0.963 nan 8.270 nan 0.000 0.465 524 W N 0.497 121.756 121.300 -0.067 0.000 3.723 524 W HA -0.074 4.586 4.660 -0.000 0.000 0.303 524 W C -1.733 174.710 176.519 -0.125 0.000 0.843 524 W CA -0.710 56.573 57.345 -0.103 0.000 0.944 524 W CB -0.498 28.913 29.460 -0.082 0.000 1.019 524 W HN 0.518 nan 8.180 nan 0.000 0.542 525 S N 6.689 122.641 115.700 0.420 0.000 2.891 525 S HA 0.491 4.961 4.470 -0.000 0.000 0.186 525 S C 0.657 175.390 174.600 0.222 0.000 1.401 525 S CA -0.416 57.897 58.200 0.189 0.000 1.035 525 S CB 0.414 63.609 63.200 -0.008 0.000 1.293 525 S HN 0.777 nan 8.310 nan 0.000 0.493 526 L N 1.343 122.672 121.223 0.176 0.000 3.822 526 L HA -0.277 4.063 4.340 -0.000 0.000 0.327 526 L C 0.817 177.781 176.870 0.157 0.000 1.211 526 L CA 1.600 56.380 54.840 -0.100 0.000 1.336 526 L CB -0.776 40.919 42.059 -0.607 0.000 1.407 526 L HN 0.593 nan 8.230 nan 0.000 0.584 527 D N -1.420 118.841 120.400 -0.232 0.000 2.216 527 D HA -0.038 4.602 4.640 -0.000 0.000 0.208 527 D C 1.316 177.586 176.300 -0.051 0.000 0.960 527 D CA 2.072 56.054 54.000 -0.031 0.000 0.861 527 D CB -0.036 40.819 40.800 0.092 0.000 0.985 527 D HN 0.671 nan 8.370 nan 0.000 0.493 528 Y N -1.875 118.475 120.300 0.083 0.000 2.531 528 Y HA 0.425 4.975 4.550 -0.000 0.000 0.249 528 Y C 1.498 177.426 175.900 0.046 0.000 1.168 528 Y CA -0.403 57.729 58.100 0.054 0.000 1.226 528 Y CB -0.052 38.426 38.460 0.029 0.000 1.177 528 Y HN -0.242 nan 8.280 nan 0.000 0.527 529 M N 1.573 121.103 119.600 -0.116 0.000 2.155 529 M HA -0.104 4.376 4.480 -0.000 0.000 0.258 529 M C 1.793 178.108 176.300 0.027 0.000 1.092 529 M CA 1.267 56.558 55.300 -0.016 0.000 1.153 529 M CB -1.078 31.469 32.600 -0.088 0.000 1.316 529 M HN 0.414 nan 8.290 nan 0.000 0.431 530 D N 0.139 120.517 120.400 -0.038 0.000 2.170 530 D HA -0.262 4.378 4.640 -0.000 0.000 0.193 530 D C 1.310 177.642 176.300 0.054 0.000 1.004 530 D CA 1.482 55.462 54.000 -0.034 0.000 0.860 530 D CB -1.057 39.618 40.800 -0.208 0.000 0.931 530 D HN 0.298 nan 8.370 nan 0.000 0.448 531 N N 0.361 119.096 118.700 0.057 0.000 2.310 531 N HA -0.131 4.609 4.740 -0.000 0.000 0.193 531 N C 0.630 176.131 175.510 -0.015 0.000 1.001 531 N CA 0.554 53.609 53.050 0.010 0.000 0.890 531 N CB -0.195 38.316 38.487 0.040 0.000 0.972 531 N HN 0.222 nan 8.380 nan 0.000 0.445 532 V N -0.313 119.658 119.914 0.095 0.000 3.556 532 V HA 0.084 4.204 4.120 -0.000 0.000 0.292 532 V C 0.901 177.191 176.094 0.326 0.000 1.030 532 V CA -0.928 61.463 62.300 0.151 0.000 1.009 532 V CB 0.800 32.716 31.823 0.155 0.000 1.242 532 V HN 0.139 nan 8.190 nan 0.000 0.431 533 N N 2.351 121.241 118.700 0.317 0.000 2.719 533 N HA 0.196 4.936 4.740 -0.000 0.000 0.243 533 N C -1.726 173.938 175.510 0.257 0.000 1.104 533 N CA -1.546 51.688 53.050 0.307 0.000 0.981 533 N CB 1.178 39.719 38.487 0.089 0.000 1.290 533 N HN 0.433 nan 8.380 nan 0.000 0.513 534 P HA -0.182 nan 4.420 nan 0.000 0.219 534 P C 0.698 178.068 177.300 0.118 0.000 1.144 534 P CA 1.204 64.409 63.100 0.174 0.000 0.806 534 P CB -0.101 31.633 31.700 0.055 0.000 0.771 535 F N -0.132 119.834 119.950 0.028 0.000 2.699 535 F HA -0.011 4.516 4.527 -0.000 0.000 0.298 535 F C 1.173 176.962 175.800 -0.018 0.000 1.154 535 F CA 0.091 58.080 58.000 -0.018 0.000 1.457 535 F CB -0.968 37.956 39.000 -0.127 0.000 1.106 535 F HN -0.112 nan 8.300 nan 0.000 0.585 536 N N 0.918 119.682 118.700 0.107 0.000 3.127 536 N HA -0.066 4.674 4.740 -0.000 0.000 0.317 536 N C -0.051 175.480 175.510 0.035 0.000 1.242 536 N CA 0.400 53.414 53.050 -0.060 0.000 1.203 536 N CB -0.711 37.541 38.487 -0.391 0.000 1.462 536 N HN 0.409 nan 8.380 nan 0.000 0.546 537 H N 0.046 119.042 119.070 -0.122 0.000 2.810 537 H HA 0.278 4.834 4.556 -0.000 0.000 0.316 537 H C 0.500 175.566 175.328 -0.438 0.000 1.426 537 H CA -0.467 55.386 56.048 -0.326 0.000 1.413 537 H CB 1.450 31.082 29.762 -0.216 0.000 1.874 537 H HN 0.339 nan 8.280 nan 0.000 0.737 538 H N -0.084 118.695 119.070 -0.485 0.000 3.058 538 H HA 0.195 4.751 4.556 -0.000 0.000 0.258 538 H C 0.670 175.984 175.328 -0.024 0.000 1.015 538 H CA -0.016 55.794 56.048 -0.397 0.000 1.210 538 H CB 1.355 30.947 29.762 -0.283 0.000 1.481 538 H HN 0.185 nan 8.280 nan 0.000 0.492 539 R N 2.659 123.371 120.500 0.352 0.000 2.997 539 R HA 0.088 4.428 4.340 -0.000 0.000 0.358 539 R C -0.472 175.955 176.300 0.211 0.000 1.191 539 R CA -0.147 56.128 56.100 0.293 0.000 1.113 539 R CB -0.244 30.187 30.300 0.217 0.000 1.433 539 R HN 0.320 nan 8.270 nan 0.000 0.584 540 N N -0.591 118.199 118.700 0.149 0.000 3.194 540 N HA 0.107 4.847 4.740 -0.000 0.000 0.271 540 N C 0.834 176.358 175.510 0.022 0.000 1.308 540 N CA 0.131 53.221 53.050 0.067 0.000 1.042 540 N CB 1.113 39.626 38.487 0.043 0.000 1.310 540 N HN 0.045 nan 8.380 nan 0.000 0.502 541 A N 1.493 124.352 122.820 0.064 0.000 1.813 541 A HA -0.331 3.989 4.320 -0.000 0.000 0.282 541 A C 1.747 179.196 177.584 -0.226 0.000 2.939 541 A CA 2.649 54.706 52.037 0.033 0.000 0.824 541 A CB -1.610 17.512 19.000 0.203 0.000 0.815 541 A HN 0.674 nan 8.150 nan 0.000 0.565 542 G N -1.767 106.808 108.800 -0.375 0.000 2.583 542 G HA2 0.177 4.137 3.960 -0.000 0.000 0.215 542 G HA3 0.177 4.137 3.960 -0.000 0.000 0.215 542 G C 1.400 175.932 174.900 -0.613 0.000 1.481 542 G CA 0.607 45.281 45.100 -0.709 0.000 0.948 542 G HN 1.234 nan 8.290 nan 0.000 0.511 543 L N 0.357 121.354 121.223 -0.377 0.000 2.149 543 L HA -0.289 4.051 4.340 -0.000 0.000 0.223 543 L C 2.769 179.570 176.870 -0.116 0.000 1.089 543 L CA 2.577 57.284 54.840 -0.221 0.000 0.800 543 L CB -0.278 41.729 42.059 -0.088 0.000 0.897 543 L HN 0.291 nan 8.230 nan 0.000 0.443 544 R N -0.752 119.707 120.500 -0.069 0.000 2.127 544 R HA -0.281 4.059 4.340 -0.000 0.000 0.228 544 R C 2.408 178.812 176.300 0.174 0.000 1.125 544 R CA 2.614 58.772 56.100 0.097 0.000 0.904 544 R CB -1.156 29.198 30.300 0.091 0.000 0.831 544 R HN 0.767 nan 8.270 nan 0.000 0.431 545 Y N 0.494 120.821 120.300 0.044 0.000 2.181 545 Y HA -0.295 4.255 4.550 -0.000 0.000 0.279 545 Y C 1.142 177.075 175.900 0.055 0.000 1.228 545 Y CA 1.017 59.136 58.100 0.032 0.000 1.164 545 Y CB -0.481 37.950 38.460 -0.048 0.000 0.959 545 Y HN -0.013 nan 8.280 nan 0.000 0.521 546 R N 1.640 122.312 120.500 0.287 0.000 4.750 546 R HA -0.027 4.313 4.340 -0.000 0.000 0.163 546 R C 0.668 177.121 176.300 0.255 0.000 2.099 546 R CA 0.734 56.993 56.100 0.266 0.000 1.621 546 R CB -0.462 29.879 30.300 0.067 0.000 1.341 546 R HN 0.507 nan 8.270 nan 0.000 0.819 547 S N -1.473 114.391 115.700 0.273 0.000 2.208 547 S HA 0.040 4.510 4.470 -0.000 0.000 0.234 547 S C 0.512 175.246 174.600 0.223 0.000 0.907 547 S CA -0.351 58.005 58.200 0.260 0.000 1.616 547 S CB 0.068 63.426 63.200 0.263 0.000 1.218 547 S HN 0.250 nan 8.310 nan 0.000 0.588 548 M N 1.679 121.392 119.600 0.188 0.000 2.382 548 M HA 0.457 4.937 4.480 -0.000 0.000 0.247 548 M C 1.022 177.366 176.300 0.073 0.000 1.104 548 M CA 0.486 55.859 55.300 0.122 0.000 1.030 548 M CB 0.396 33.061 32.600 0.108 0.000 1.424 548 M HN 0.460 nan 8.290 nan 0.000 0.486 549 L N -1.848 119.422 121.223 0.077 0.000 2.463 549 L HA 0.252 4.592 4.340 -0.000 0.000 0.219 549 L C 1.440 178.334 176.870 0.039 0.000 1.088 549 L CA 0.989 55.840 54.840 0.019 0.000 0.849 549 L CB -1.705 40.344 42.059 -0.018 0.000 1.012 549 L HN 0.248 nan 8.230 nan 0.000 0.468 550 L N -2.228 119.037 121.223 0.071 0.000 2.554 550 L HA 0.827 5.167 4.340 -0.000 0.000 0.225 550 L C 1.283 178.186 176.870 0.054 0.000 1.104 550 L CA 0.276 55.142 54.840 0.043 0.000 0.866 550 L CB -0.622 41.441 42.059 0.007 0.000 1.047 550 L HN 0.331 nan 8.230 nan 0.000 0.468 551 G N 2.134 110.990 108.800 0.093 0.000 2.603 551 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.245 551 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.245 551 G C 0.437 175.455 174.900 0.197 0.000 1.195 551 G CA 0.280 45.444 45.100 0.107 0.000 0.953 551 G HN 0.462 nan 8.290 nan 0.000 0.566 552 N N 0.274 119.097 118.700 0.204 0.000 2.149 552 N HA 0.224 4.964 4.740 -0.000 0.000 0.229 552 N C 1.133 176.855 175.510 0.354 0.000 1.284 552 N CA 0.943 54.215 53.050 0.369 0.000 0.864 552 N CB 0.614 39.237 38.487 0.227 0.000 1.169 552 N HN 1.227 nan 8.380 nan 0.000 0.478 553 G N 0.967 109.848 108.800 0.135 0.000 2.634 553 G HA2 0.312 4.272 3.960 -0.000 0.000 0.255 553 G HA3 0.312 4.272 3.960 -0.000 0.000 0.255 553 G C 0.480 175.350 174.900 -0.049 0.000 1.205 553 G CA -0.314 44.832 45.100 0.077 0.000 0.884 553 G HN 0.154 nan 8.290 nan 0.000 0.549 554 R N -1.204 119.313 120.500 0.028 0.000 2.287 554 R HA 0.105 4.445 4.340 -0.000 0.000 0.197 554 R C 0.157 176.491 176.300 0.056 0.000 0.900 554 R CA -0.035 56.048 56.100 -0.029 0.000 1.052 554 R CB 0.389 30.722 30.300 0.054 0.000 1.117 554 R HN 0.584 nan 8.270 nan 0.000 0.568 555 Y N 1.314 121.582 120.300 -0.053 0.000 2.724 555 Y HA 0.116 4.666 4.550 -0.000 0.000 0.354 555 Y C -0.183 175.705 175.900 -0.020 0.000 1.270 555 Y CA -0.409 57.669 58.100 -0.036 0.000 1.902 555 Y CB 0.629 39.072 38.460 -0.028 0.000 1.981 555 Y HN -0.209 nan 8.280 nan 0.000 0.428 556 V N 3.228 123.188 119.914 0.078 0.000 2.154 556 V HA 0.156 4.276 4.120 -0.000 0.000 0.265 556 V C -2.247 173.933 176.094 0.145 0.000 1.293 556 V CA -1.982 60.381 62.300 0.105 0.000 1.205 556 V CB -0.070 31.801 31.823 0.081 0.000 1.306 556 V HN 0.355 nan 8.190 nan 0.000 0.479 557 P HA 0.022 nan 4.420 nan 0.000 0.257 557 P C 0.089 177.373 177.300 -0.026 0.000 1.359 557 P CA 0.202 63.240 63.100 -0.103 0.000 1.239 557 P CB -0.468 31.189 31.700 -0.072 0.000 1.549 558 F N 0.698 120.660 119.950 0.020 0.000 2.408 558 F HA 0.551 5.078 4.527 -0.000 0.000 0.303 558 F C 0.670 176.567 175.800 0.161 0.000 1.268 558 F CA -0.652 57.390 58.000 0.070 0.000 1.218 558 F CB 0.261 39.283 39.000 0.036 0.000 1.283 558 F HN 0.228 nan 8.300 nan 0.000 0.545 559 H N 1.162 120.454 119.070 0.370 0.000 3.240 559 H HA 0.553 5.109 4.556 -0.000 0.000 0.329 559 H C -1.505 173.999 175.328 0.293 0.000 1.024 559 H CA -1.516 54.694 56.048 0.271 0.000 1.487 559 H CB 0.696 30.570 29.762 0.187 0.000 1.909 559 H HN 0.839 nan 8.280 nan 0.000 0.465 560 I N 0.995 121.664 120.570 0.165 0.000 2.969 560 I HA 0.605 4.775 4.170 -0.000 0.000 0.307 560 I C -1.090 175.128 176.117 0.168 0.000 1.149 560 I CA -1.310 60.044 61.300 0.090 0.000 1.008 560 I CB 2.506 40.626 38.000 0.200 0.000 1.232 560 I HN 0.265 nan 8.210 nan 0.000 0.435 561 Q N 2.986 122.968 119.800 0.304 0.000 2.398 561 Q HA 0.580 4.920 4.340 -0.000 0.000 0.251 561 Q C -1.044 175.461 176.000 0.842 0.000 0.999 561 Q CA -0.409 55.749 55.803 0.592 0.000 0.874 561 Q CB 1.736 30.745 28.738 0.452 0.000 1.215 561 Q HN 0.572 nan 8.270 nan 0.000 0.470 562 V N 2.873 123.070 119.914 0.471 0.000 2.495 562 V HA 0.637 4.757 4.120 -0.000 0.000 0.298 562 V C -2.172 173.760 176.094 -0.270 0.000 1.031 562 V CA -2.516 59.773 62.300 -0.018 0.000 0.871 562 V CB 1.420 33.048 31.823 -0.326 0.000 0.988 562 V HN 0.619 nan 8.190 nan 0.000 0.432 563 P HA 0.044 nan 4.420 nan 0.000 0.270 563 P C -0.932 176.282 177.300 -0.143 0.000 1.221 563 P CA 0.056 62.640 63.100 -0.860 0.000 0.788 563 P CB 0.742 31.792 31.700 -1.083 0.000 0.904 564 Q N 0.860 120.675 119.800 0.026 0.000 2.266 564 Q HA 0.339 4.679 4.340 -0.000 0.000 0.261 564 Q C 0.244 176.368 176.000 0.208 0.000 0.985 564 Q CA -0.338 55.610 55.803 0.242 0.000 0.873 564 Q CB 1.466 30.375 28.738 0.284 0.000 1.306 564 Q HN 0.372 nan 8.270 nan 0.000 0.447 565 K N 1.083 121.679 120.400 0.327 0.000 1.828 565 K HA 0.578 4.898 4.320 -0.000 0.000 0.268 565 K C -0.761 176.148 176.600 0.516 0.000 0.973 565 K CA -0.840 55.629 56.287 0.302 0.000 1.093 565 K CB 0.504 32.978 32.500 -0.043 0.000 2.798 565 K HN 0.400 nan 8.250 nan 0.000 1.015 566 F N 0.778 120.908 119.950 0.302 0.000 2.183 566 F HA -0.221 4.306 4.527 -0.000 0.000 0.318 566 F C -0.279 175.593 175.800 0.119 0.000 1.287 566 F CA -0.364 57.804 58.000 0.279 0.000 0.912 566 F CB -0.465 38.691 39.000 0.259 0.000 4.135 566 F HN 0.545 nan 8.300 nan 0.000 0.138 567 F N 1.447 121.146 119.950 -0.419 0.000 2.639 567 F HA 0.734 5.261 4.527 -0.000 0.000 0.300 567 F C 0.844 176.425 175.800 -0.365 0.000 1.109 567 F CA 0.493 58.296 58.000 -0.328 0.000 1.335 567 F CB -0.114 38.743 39.000 -0.239 0.000 1.014 567 F HN 0.614 nan 8.300 nan 0.000 0.537 568 A N 1.413 123.851 122.820 -0.637 0.000 1.977 568 A HA 0.336 4.655 4.320 -0.000 0.000 0.197 568 A C 1.023 178.596 177.584 -0.018 0.000 1.554 568 A CA 0.124 51.982 52.037 -0.299 0.000 1.037 568 A CB -0.305 18.395 19.000 -0.501 0.000 1.083 568 A HN 0.428 nan 8.150 nan 0.000 0.471 569 I N -2.065 118.696 120.570 0.318 0.000 2.213 569 I HA 0.525 4.695 4.170 -0.000 0.000 0.295 569 I C 0.164 176.380 176.117 0.164 0.000 1.172 569 I CA -0.032 61.393 61.300 0.209 0.000 1.443 569 I CB 0.408 38.539 38.000 0.218 0.000 1.491 569 I HN -0.037 nan 8.210 nan 0.000 0.652 570 K N 2.746 123.219 120.400 0.121 0.000 2.722 570 K HA 0.243 4.563 4.320 -0.000 0.000 0.239 570 K C 1.188 177.874 176.600 0.144 0.000 1.658 570 K CA 0.223 56.596 56.287 0.142 0.000 0.908 570 K CB -0.177 32.404 32.500 0.136 0.000 2.016 570 K HN 0.388 nan 8.250 nan 0.000 0.370 571 N N 0.831 119.643 118.700 0.185 0.000 2.398 571 N HA 0.056 4.796 4.740 -0.000 0.000 0.188 571 N C 0.197 175.807 175.510 0.167 0.000 1.122 571 N CA -0.013 53.143 53.050 0.176 0.000 0.866 571 N CB 0.432 39.032 38.487 0.188 0.000 0.970 571 N HN 0.041 nan 8.380 nan 0.000 0.462 572 L N 0.443 121.733 121.223 0.112 0.000 2.475 572 L HA 0.160 4.500 4.340 -0.000 0.000 0.250 572 L C 0.358 177.236 176.870 0.012 0.000 1.224 572 L CA -0.006 54.838 54.840 0.007 0.000 0.821 572 L CB 0.562 42.499 42.059 -0.203 0.000 1.141 572 L HN -0.096 nan 8.230 nan 0.000 0.494 573 L N 0.134 121.349 121.223 -0.014 0.000 3.080 573 L HA 0.701 5.041 4.340 -0.000 0.000 0.223 573 L C -1.175 175.662 176.870 -0.054 0.000 1.949 573 L CA -0.357 54.472 54.840 -0.017 0.000 2.355 573 L CB 1.104 43.176 42.059 0.022 0.000 2.276 573 L HN 0.642 nan 8.230 nan 0.000 0.601 574 L N -1.227 119.969 121.223 -0.044 0.000 3.118 574 L HA 0.500 4.840 4.340 -0.000 0.000 0.269 574 L C -2.343 174.511 176.870 -0.027 0.000 0.984 574 L CA -0.331 54.480 54.840 -0.048 0.000 1.013 574 L CB 1.263 43.278 42.059 -0.073 0.000 1.521 574 L HN 0.283 nan 8.230 nan 0.000 0.400 575 L N 2.487 123.704 121.223 -0.010 0.000 2.333 575 L HA 0.735 5.075 4.340 -0.000 0.000 0.269 575 L C -2.095 174.769 176.870 -0.009 0.000 1.010 575 L CA -1.859 52.976 54.840 -0.007 0.000 0.818 575 L CB 2.269 44.324 42.059 -0.007 0.000 1.306 575 L HN 0.570 nan 8.230 nan 0.000 0.430 576 P HA 0.024 nan 4.420 nan 0.000 0.278 576 P C -0.414 176.780 177.300 -0.177 0.000 1.369 576 P CA 0.444 63.493 63.100 -0.085 0.000 0.994 576 P CB 0.247 31.906 31.700 -0.069 0.000 0.984 577 G N -2.820 105.799 108.800 -0.301 0.000 2.369 577 G HA2 0.359 4.319 3.960 -0.000 0.000 0.293 577 G HA3 0.359 4.319 3.960 -0.000 0.000 0.293 577 G C -1.718 172.785 174.900 -0.661 0.000 1.301 577 G CA -0.375 44.355 45.100 -0.617 0.000 0.913 577 G HN 0.440 nan 8.290 nan 0.000 0.540 578 S N 0.724 115.926 115.700 -0.830 0.000 2.383 578 S HA 0.735 5.205 4.470 -0.000 0.000 0.196 578 S C -0.623 173.789 174.600 -0.313 0.000 1.364 578 S CA -0.414 57.526 58.200 -0.433 0.000 1.212 578 S CB 0.487 63.566 63.200 -0.202 0.000 1.171 578 S HN 1.424 nan 8.310 nan 0.000 0.456 579 Y N -0.424 119.860 120.300 -0.027 0.000 2.942 579 Y HA 0.809 5.359 4.550 -0.000 0.000 0.254 579 Y C 0.074 175.968 175.900 -0.009 0.000 2.044 579 Y CA -1.019 57.067 58.100 -0.024 0.000 1.022 579 Y CB -0.383 38.051 38.460 -0.043 0.000 2.648 579 Y HN 0.336 nan 8.280 nan 0.000 0.369 580 T N -1.738 112.954 114.554 0.229 0.000 2.590 580 T HA 0.653 5.003 4.350 -0.000 0.000 0.282 580 T C -1.751 172.990 174.700 0.068 0.000 0.989 580 T CA -0.326 61.845 62.100 0.118 0.000 1.091 580 T CB 2.096 71.013 68.868 0.082 0.000 1.460 580 T HN 1.046 nan 8.240 nan 0.000 0.499 581 Y N -0.337 119.935 120.300 -0.047 0.000 2.965 581 Y HA 0.623 5.173 4.550 -0.000 0.000 0.341 581 Y C -1.949 173.973 175.900 0.036 0.000 1.443 581 Y CA -0.546 57.510 58.100 -0.073 0.000 1.101 581 Y CB 0.532 38.938 38.460 -0.090 0.000 1.969 581 Y HN 1.000 nan 8.280 nan 0.000 0.419 582 E N 0.459 119.943 120.200 -1.193 0.000 3.912 582 E HA 0.168 4.518 4.350 -0.000 0.000 0.410 582 E C -2.563 173.650 176.600 -0.646 0.000 1.265 582 E CA -0.219 55.769 56.400 -0.688 0.000 1.918 582 E CB 0.245 29.768 29.700 -0.295 0.000 1.129 582 E HN 0.670 nan 8.360 nan 0.000 0.347 583 W N 1.914 122.967 121.300 -0.411 0.000 3.979 583 W HA 0.199 4.859 4.660 -0.000 0.000 0.265 583 W C -1.572 174.432 176.519 -0.860 0.000 1.273 583 W CA -0.480 56.576 57.345 -0.481 0.000 1.231 583 W CB 0.403 29.628 29.460 -0.392 0.000 1.236 583 W HN 0.567 nan 8.180 nan 0.000 0.564 584 N N 2.147 120.641 118.700 -0.344 0.000 2.405 584 N HA 0.759 5.499 4.740 -0.000 0.000 0.299 584 N C -1.254 173.714 175.510 -0.902 0.000 1.075 584 N CA -0.464 52.200 53.050 -0.643 0.000 0.884 584 N CB 0.973 39.529 38.487 0.116 0.000 1.194 584 N HN 0.044 nan 8.380 nan 0.000 0.491 585 F N -0.512 119.406 119.950 -0.053 0.000 2.460 585 F HA 0.533 5.060 4.527 -0.000 0.000 0.341 585 F C 0.447 176.117 175.800 -0.217 0.000 1.130 585 F CA -1.272 56.563 58.000 -0.274 0.000 0.962 585 F CB 1.042 39.972 39.000 -0.115 0.000 1.171 585 F HN 0.148 nan 8.300 nan 0.000 0.436 586 R N 0.833 121.058 120.500 -0.458 0.000 2.758 586 R HA 0.124 4.464 4.340 -0.000 0.000 0.263 586 R C 0.507 176.887 176.300 0.132 0.000 1.010 586 R CA -0.341 55.703 56.100 -0.094 0.000 1.114 586 R CB 0.414 30.605 30.300 -0.182 0.000 0.985 586 R HN 0.677 nan 8.270 nan 0.000 0.439 587 K N 0.307 120.866 120.400 0.265 0.000 2.358 587 K HA 0.015 4.335 4.320 -0.000 0.000 0.197 587 K C -0.419 176.245 176.600 0.107 0.000 1.025 587 K CA -0.057 56.369 56.287 0.231 0.000 1.104 587 K CB 0.354 33.059 32.500 0.342 0.000 0.855 587 K HN 0.574 nan 8.250 nan 0.000 0.531 588 D N 1.182 121.543 120.400 -0.064 0.000 2.346 588 D HA -0.030 4.610 4.640 -0.000 0.000 0.267 588 D C -0.308 175.833 176.300 -0.265 0.000 1.320 588 D CA -0.080 53.652 54.000 -0.446 0.000 0.951 588 D CB 0.760 41.099 40.800 -0.768 0.000 1.079 588 D HN -0.076 nan 8.370 nan 0.000 0.509 589 V N 2.807 122.609 119.914 -0.186 0.000 2.008 589 V HA 0.333 4.453 4.120 -0.000 0.000 0.262 589 V C 0.435 176.412 176.094 -0.195 0.000 1.580 589 V CA -0.361 61.845 62.300 -0.158 0.000 1.515 589 V CB -0.360 31.395 31.823 -0.113 0.000 1.474 589 V HN 0.400 nan 8.190 nan 0.000 0.504 590 N N 2.353 120.897 118.700 -0.261 0.000 2.065 590 N HA 0.106 4.846 4.740 -0.000 0.000 0.266 590 N C 1.210 176.423 175.510 -0.494 0.000 1.109 590 N CA 0.828 53.665 53.050 -0.356 0.000 0.763 590 N CB 0.051 38.334 38.487 -0.341 0.000 1.660 590 N HN 0.653 nan 8.380 nan 0.000 0.603 591 M N -0.167 119.249 119.600 -0.308 0.000 2.441 591 M HA 0.353 4.833 4.480 -0.000 0.000 0.244 591 M C 0.956 177.271 176.300 0.025 0.000 1.122 591 M CA 0.591 55.875 55.300 -0.027 0.000 1.041 591 M CB 0.270 33.011 32.600 0.235 0.000 1.438 591 M HN -0.068 nan 8.290 nan 0.000 0.484 592 V N -2.593 117.279 119.914 -0.070 0.000 3.578 592 V HA 0.489 4.609 4.120 -0.000 0.000 0.290 592 V C 0.164 176.239 176.094 -0.032 0.000 1.376 592 V CA -0.251 62.031 62.300 -0.031 0.000 1.083 592 V CB -0.337 31.451 31.823 -0.058 0.000 0.911 592 V HN 0.454 nan 8.190 nan 0.000 0.433 593 L N 0.588 121.765 121.223 -0.077 0.000 2.359 593 L HA 0.661 5.000 4.340 -0.000 0.000 0.256 593 L C -0.848 175.993 176.870 -0.048 0.000 1.026 593 L CA -0.530 54.258 54.840 -0.088 0.000 0.828 593 L CB 2.621 44.562 42.059 -0.196 0.000 1.406 593 L HN 0.334 nan 8.230 nan 0.000 0.413 594 Q N 1.401 121.207 119.800 0.009 0.000 2.377 594 Q HA 0.776 5.116 4.340 -0.000 0.000 0.271 594 Q C -1.330 174.665 176.000 -0.009 0.000 1.077 594 Q CA -0.308 55.496 55.803 0.002 0.000 0.820 594 Q CB 2.148 30.925 28.738 0.064 0.000 1.347 594 Q HN 0.662 nan 8.270 nan 0.000 0.444 595 S N 0.968 116.644 115.700 -0.039 0.000 2.643 595 S HA 0.199 4.669 4.470 -0.000 0.000 0.266 595 S C -0.063 174.525 174.600 -0.020 0.000 1.130 595 S CA -0.072 58.130 58.200 0.003 0.000 0.817 595 S CB 0.801 64.004 63.200 0.004 0.000 1.107 595 S HN 0.579 nan 8.310 nan 0.000 0.471 596 S N -0.019 115.705 115.700 0.040 0.000 2.461 596 S HA 0.045 4.515 4.470 -0.000 0.000 0.249 596 S C 0.380 174.919 174.600 -0.101 0.000 1.012 596 S CA 1.956 60.157 58.200 0.003 0.000 0.982 596 S CB -1.014 62.267 63.200 0.134 0.000 0.764 596 S HN 0.513 nan 8.310 nan 0.000 0.506 597 L N -3.506 117.647 121.223 -0.116 0.000 2.852 597 L HA 0.609 4.949 4.340 -0.000 0.000 0.268 597 L C -0.300 176.361 176.870 -0.348 0.000 1.033 597 L CA -0.613 54.130 54.840 -0.162 0.000 1.029 597 L CB 0.745 42.734 42.059 -0.115 0.000 1.598 597 L HN -0.086 nan 8.230 nan 0.000 0.358 598 G N 0.441 108.959 108.800 -0.469 0.000 2.738 598 G HA2 0.618 4.578 3.960 -0.000 0.000 0.281 598 G HA3 0.618 4.578 3.960 -0.000 0.000 0.281 598 G C -1.851 172.790 174.900 -0.432 0.000 1.527 598 G CA -0.339 44.157 45.100 -1.006 0.000 1.132 598 G HN 0.604 nan 8.290 nan 0.000 0.569 599 N N 0.798 119.339 118.700 -0.265 0.000 2.265 599 N HA 0.397 5.137 4.740 -0.000 0.000 0.300 599 N C -0.993 174.457 175.510 -0.100 0.000 1.148 599 N CA -1.076 51.916 53.050 -0.097 0.000 0.772 599 N CB 1.806 40.285 38.487 -0.013 0.000 1.434 599 N HN 0.069 nan 8.380 nan 0.000 0.481 600 D N 0.809 121.180 120.400 -0.048 0.000 2.570 600 D HA -0.058 4.582 4.640 -0.000 0.000 0.243 600 D C 0.043 176.316 176.300 -0.045 0.000 1.171 600 D CA 0.671 54.643 54.000 -0.046 0.000 0.879 600 D CB 0.573 41.370 40.800 -0.006 0.000 1.143 600 D HN 0.542 nan 8.370 nan 0.000 0.511 601 L N 3.973 125.153 121.223 -0.071 0.000 2.858 601 L HA 0.064 4.404 4.340 -0.000 0.000 0.251 601 L C 2.184 179.029 176.870 -0.042 0.000 1.149 601 L CA -0.126 54.678 54.840 -0.060 0.000 0.955 601 L CB 0.294 42.298 42.059 -0.090 0.000 1.289 601 L HN 0.376 nan 8.230 nan 0.000 0.542 602 R N 0.145 120.635 120.500 -0.016 0.000 2.024 602 R HA 0.009 4.349 4.340 -0.000 0.000 0.216 602 R C 1.821 178.146 176.300 0.042 0.000 1.259 602 R CA 1.224 57.344 56.100 0.034 0.000 1.001 602 R CB -1.195 29.181 30.300 0.127 0.000 0.881 602 R HN 0.032 nan 8.270 nan 0.000 0.459 603 V N 1.830 121.782 119.914 0.063 0.000 2.428 603 V HA -0.247 3.873 4.120 -0.000 0.000 0.255 603 V C 0.905 177.006 176.094 0.012 0.000 1.080 603 V CA 2.189 64.513 62.300 0.040 0.000 1.083 603 V CB -1.160 30.686 31.823 0.039 0.000 0.665 603 V HN 0.235 nan 8.190 nan 0.000 0.461 604 D N 1.497 121.898 120.400 0.003 0.000 2.430 604 D HA 0.163 4.803 4.640 -0.000 0.000 0.260 604 D C 1.657 177.942 176.300 -0.025 0.000 1.244 604 D CA 1.233 55.224 54.000 -0.015 0.000 0.986 604 D CB -1.013 39.772 40.800 -0.025 0.000 0.925 604 D HN 0.790 nan 8.370 nan 0.000 0.506 605 G N -0.366 108.424 108.800 -0.017 0.000 2.249 605 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.273 605 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.273 605 G C 0.386 175.266 174.900 -0.034 0.000 1.036 605 G CA 0.204 45.290 45.100 -0.024 0.000 0.824 605 G HN 0.635 nan 8.290 nan 0.000 0.504 606 A N -0.205 122.597 122.820 -0.030 0.000 2.276 606 A HA 0.778 5.098 4.320 -0.000 0.000 0.300 606 A C 0.479 178.034 177.584 -0.050 0.000 1.235 606 A CA 0.393 52.403 52.037 -0.045 0.000 0.867 606 A CB 1.011 19.986 19.000 -0.040 0.000 1.137 606 A HN 0.900 nan 8.150 nan 0.000 0.527 607 S N 1.276 116.928 115.700 -0.080 0.000 2.552 607 S HA 0.610 5.080 4.470 -0.000 0.000 0.314 607 S C -0.887 173.633 174.600 -0.132 0.000 1.099 607 S CA -0.313 57.830 58.200 -0.095 0.000 1.070 607 S CB 0.775 63.911 63.200 -0.107 0.000 0.998 607 S HN 0.990 nan 8.310 nan 0.000 0.474 608 I N 4.501 124.987 120.570 -0.140 0.000 2.534 608 I HA 0.548 4.718 4.170 -0.000 0.000 0.286 608 I C -0.740 175.214 176.117 -0.271 0.000 1.094 608 I CA -0.367 60.809 61.300 -0.207 0.000 1.055 608 I CB 1.019 38.891 38.000 -0.212 0.000 1.225 608 I HN 0.538 nan 8.210 nan 0.000 0.435 609 K N 5.503 125.713 120.400 -0.317 0.000 2.512 609 K HA 0.717 5.037 4.320 -0.000 0.000 0.272 609 K C -1.216 175.032 176.600 -0.586 0.000 1.033 609 K CA -0.689 55.410 56.287 -0.313 0.000 1.096 609 K CB 0.916 33.325 32.500 -0.152 0.000 1.498 609 K HN 0.390 nan 8.250 nan 0.000 0.629 610 F N 0.778 120.583 119.950 -0.243 0.000 2.574 610 F HA 0.322 4.849 4.527 -0.000 0.000 0.313 610 F C -0.802 174.884 175.800 -0.189 0.000 1.130 610 F CA -0.586 57.186 58.000 -0.380 0.000 0.936 610 F CB 2.158 40.518 39.000 -1.067 0.000 1.219 610 F HN 0.617 nan 8.300 nan 0.000 0.445 611 D N 0.151 120.619 120.400 0.114 0.000 3.225 611 D HA 0.206 4.846 4.640 -0.000 0.000 0.294 611 D C -0.820 175.539 176.300 0.098 0.000 1.306 611 D CA -0.584 53.462 54.000 0.077 0.000 1.019 611 D CB 0.004 40.789 40.800 -0.025 0.000 1.344 611 D HN 0.328 nan 8.370 nan 0.000 0.615 612 S N 0.158 115.890 115.700 0.052 0.000 2.554 612 S HA 0.342 4.812 4.470 -0.000 0.000 0.290 612 S C 0.603 175.271 174.600 0.114 0.000 1.309 612 S CA -0.309 57.933 58.200 0.070 0.000 1.047 612 S CB 0.115 63.336 63.200 0.035 0.000 0.828 612 S HN 0.610 nan 8.310 nan 0.000 0.509 613 I N -0.983 119.677 120.570 0.150 0.000 2.959 613 I HA 0.604 4.774 4.170 -0.000 0.000 0.309 613 I C -1.675 174.595 176.117 0.255 0.000 1.604 613 I CA -1.008 60.420 61.300 0.213 0.000 0.932 613 I CB 0.754 38.895 38.000 0.236 0.000 1.334 613 I HN 0.865 nan 8.210 nan 0.000 0.590 614 C N 1.052 120.541 119.300 0.316 0.000 3.266 614 C HA 0.683 5.143 4.460 -0.000 0.000 0.369 614 C C -1.356 173.856 174.990 0.371 0.000 1.580 614 C CA -0.736 58.556 59.018 0.458 0.000 1.165 614 C CB 1.413 29.462 27.740 0.516 0.000 1.835 614 C HN 0.867 nan 8.230 nan 0.000 0.433 615 L N 0.802 122.171 121.223 0.244 0.000 2.406 615 L HA 0.778 5.118 4.340 -0.000 0.000 0.270 615 L C -1.725 175.138 176.870 -0.011 0.000 0.982 615 L CA -0.013 54.620 54.840 -0.345 0.000 0.843 615 L CB 0.710 41.967 42.059 -1.336 0.000 1.225 615 L HN 0.600 nan 8.230 nan 0.000 0.412 616 Y N 3.250 123.407 120.300 -0.238 0.000 2.320 616 Y HA 0.879 5.429 4.550 -0.000 0.000 0.324 616 Y C 0.587 176.291 175.900 -0.327 0.000 1.190 616 Y CA -0.880 57.064 58.100 -0.259 0.000 1.215 616 Y CB 1.615 39.900 38.460 -0.292 0.000 1.221 616 Y HN 0.877 nan 8.280 nan 0.000 0.486 617 A N 0.789 123.636 122.820 0.045 0.000 2.530 617 A HA 0.883 5.203 4.320 -0.000 0.000 0.288 617 A C -0.895 176.808 177.584 0.199 0.000 1.172 617 A CA -0.692 51.385 52.037 0.066 0.000 0.733 617 A CB 1.929 20.946 19.000 0.029 0.000 1.320 617 A HN 0.593 nan 8.150 nan 0.000 0.419 618 T N -0.025 114.697 114.554 0.280 0.000 2.923 618 T HA 0.770 5.120 4.350 -0.000 0.000 0.311 618 T C -1.195 173.826 174.700 0.535 0.000 1.183 618 T CA 0.043 62.336 62.100 0.322 0.000 1.020 618 T CB 0.646 69.597 68.868 0.137 0.000 1.165 618 T HN 1.256 nan 8.240 nan 0.000 0.482 619 F N 0.825 120.790 119.950 0.024 0.000 3.652 619 F HA 0.825 5.352 4.527 -0.000 0.000 0.329 619 F C -2.223 173.697 175.800 0.200 0.000 1.092 619 F CA -1.226 56.813 58.000 0.066 0.000 0.841 619 F CB 0.753 39.806 39.000 0.089 0.000 1.621 619 F HN 0.512 nan 8.300 nan 0.000 0.495 620 F N 0.473 120.502 119.950 0.132 0.000 2.950 620 F HA 0.766 5.293 4.527 -0.000 0.000 0.327 620 F C -2.452 173.379 175.800 0.052 0.000 1.197 620 F CA -2.061 55.938 58.000 -0.002 0.000 0.954 620 F CB 1.452 40.467 39.000 0.024 0.000 1.442 620 F HN 0.352 nan 8.300 nan 0.000 0.509 621 P HA 0.700 nan 4.420 nan 0.000 0.339 621 P C -1.676 175.608 177.300 -0.026 0.000 1.267 621 P CA -0.306 62.755 63.100 -0.066 0.000 0.801 621 P CB 2.145 33.708 31.700 -0.228 0.000 1.860 622 M N -4.917 114.641 119.600 -0.070 0.000 3.138 622 M HA 0.417 4.897 4.480 -0.000 0.000 0.195 622 M C -1.569 174.716 176.300 -0.025 0.000 0.650 622 M CA -0.728 54.558 55.300 -0.025 0.000 0.910 622 M CB -0.807 31.823 32.600 0.050 0.000 1.400 622 M HN 0.181 nan 8.290 nan 0.000 0.597 623 A N 1.178 123.997 122.820 -0.002 0.000 3.051 623 A HA 0.259 4.579 4.320 -0.000 0.000 0.275 623 A C 0.361 178.004 177.584 0.099 0.000 1.900 623 A CA 0.397 52.444 52.037 0.016 0.000 1.496 623 A CB -1.886 17.132 19.000 0.030 0.000 1.013 623 A HN 1.009 nan 8.150 nan 0.000 0.611 624 H N 1.167 120.245 119.070 0.013 0.000 1.730 624 H HA -0.238 4.318 4.556 -0.000 0.000 0.337 624 H C 1.257 176.599 175.328 0.023 0.000 0.840 624 H CA 0.831 56.892 56.048 0.021 0.000 1.105 624 H CB -0.210 29.563 29.762 0.018 0.000 1.547 624 H HN 0.960 nan 8.280 nan 0.000 0.298 625 N N -2.407 116.375 118.700 0.138 0.000 1.895 625 N HA -0.067 4.673 4.740 -0.000 0.000 0.243 625 N C 0.929 176.481 175.510 0.071 0.000 1.350 625 N CA 0.495 53.594 53.050 0.081 0.000 0.789 625 N CB 0.077 38.608 38.487 0.072 0.000 1.195 625 N HN 0.069 nan 8.380 nan 0.000 0.489 626 T N 1.712 116.316 114.554 0.084 0.000 2.623 626 T HA 0.189 4.539 4.350 -0.000 0.000 0.254 626 T C 2.001 176.746 174.700 0.074 0.000 1.075 626 T CA 2.246 64.391 62.100 0.076 0.000 1.177 626 T CB -0.701 68.212 68.868 0.076 0.000 0.869 626 T HN 0.435 nan 8.240 nan 0.000 0.403 627 A N 0.815 123.688 122.820 0.089 0.000 2.148 627 A HA -0.130 4.190 4.320 -0.000 0.000 0.222 627 A C 2.438 180.056 177.584 0.057 0.000 1.161 627 A CA 2.104 54.191 52.037 0.082 0.000 0.662 627 A CB -0.813 18.252 19.000 0.107 0.000 0.799 627 A HN 0.436 nan 8.150 nan 0.000 0.466 628 S N -2.259 113.472 115.700 0.051 0.000 2.421 628 S HA -0.053 4.417 4.470 -0.000 0.000 0.224 628 S C 2.093 176.709 174.600 0.027 0.000 1.035 628 S CA 1.558 59.773 58.200 0.026 0.000 0.953 628 S CB -0.343 62.865 63.200 0.013 0.000 0.810 628 S HN 0.592 nan 8.310 nan 0.000 0.497 629 T N 2.897 117.473 114.554 0.038 0.000 2.668 629 T HA 0.018 4.368 4.350 -0.000 0.000 0.262 629 T C 1.707 176.427 174.700 0.035 0.000 1.045 629 T CA 1.210 63.331 62.100 0.036 0.000 1.152 629 T CB -0.284 68.610 68.868 0.043 0.000 0.864 629 T HN 0.164 nan 8.240 nan 0.000 0.419 630 L N 1.321 122.569 121.223 0.042 0.000 1.994 630 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 630 L C 2.453 179.342 176.870 0.032 0.000 1.071 630 L CA 2.057 56.922 54.840 0.041 0.000 0.745 630 L CB -1.742 40.347 42.059 0.050 0.000 0.892 630 L HN 0.531 nan 8.230 nan 0.000 0.431 631 E N 0.274 120.492 120.200 0.030 0.000 2.360 631 E HA -0.402 3.948 4.350 -0.000 0.000 0.251 631 E C 2.028 178.636 176.600 0.012 0.000 1.042 631 E CA 2.637 59.049 56.400 0.019 0.000 1.063 631 E CB -0.319 29.390 29.700 0.014 0.000 0.970 631 E HN 0.368 nan 8.360 nan 0.000 0.513 632 A N 1.301 124.128 122.820 0.012 0.000 1.892 632 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 632 A C 2.466 180.057 177.584 0.011 0.000 1.188 632 A CA 3.020 55.062 52.037 0.009 0.000 0.631 632 A CB -1.040 17.966 19.000 0.010 0.000 0.822 632 A HN 0.730 nan 8.150 nan 0.000 0.447 633 M N -0.477 119.135 119.600 0.019 0.000 2.632 633 M HA 0.055 4.535 4.480 -0.000 0.000 0.256 633 M C 0.979 177.295 176.300 0.027 0.000 1.080 633 M CA 1.427 56.743 55.300 0.026 0.000 1.084 633 M CB -0.456 32.163 32.600 0.032 0.000 1.439 633 M HN 0.340 nan 8.290 nan 0.000 0.509 634 L N 0.537 121.769 121.223 0.016 0.000 2.418 634 L HA 0.056 4.396 4.340 -0.000 0.000 0.218 634 L C 1.522 178.377 176.870 -0.025 0.000 1.125 634 L CA 0.088 54.935 54.840 0.012 0.000 0.835 634 L CB -0.611 41.454 42.059 0.010 0.000 0.953 634 L HN 0.381 nan 8.230 nan 0.000 0.454 635 R N 0.583 121.048 120.500 -0.060 0.000 2.978 635 R HA 0.251 4.591 4.340 -0.000 0.000 0.298 635 R C -0.647 175.585 176.300 -0.114 0.000 1.296 635 R CA -0.080 55.906 56.100 -0.191 0.000 1.181 635 R CB -0.938 29.280 30.300 -0.137 0.000 1.348 635 R HN 0.195 nan 8.270 nan 0.000 0.585 636 N N 0.915 119.650 118.700 0.059 0.000 2.370 636 N HA 0.098 4.838 4.740 -0.000 0.000 0.303 636 N C -0.065 175.647 175.510 0.336 0.000 1.103 636 N CA -0.588 52.579 53.050 0.195 0.000 0.848 636 N CB 1.414 39.964 38.487 0.104 0.000 1.235 636 N HN -0.034 nan 8.380 nan 0.000 0.496 637 D N -0.268 120.290 120.400 0.264 0.000 2.429 637 D HA -0.118 4.522 4.640 -0.000 0.000 0.230 637 D C 0.693 177.029 176.300 0.060 0.000 1.005 637 D CA 0.946 54.986 54.000 0.067 0.000 0.963 637 D CB -0.468 40.330 40.800 -0.004 0.000 0.872 637 D HN 0.587 nan 8.370 nan 0.000 0.524 638 T N -3.310 111.305 114.554 0.103 0.000 3.541 638 T HA 0.193 4.543 4.350 -0.000 0.000 0.309 638 T C -0.110 174.643 174.700 0.088 0.000 0.973 638 T CA -0.753 61.392 62.100 0.075 0.000 0.993 638 T CB -0.467 68.433 68.868 0.054 0.000 1.206 638 T HN -0.228 nan 8.240 nan 0.000 0.489 639 N N 2.120 120.895 118.700 0.125 0.000 2.750 639 N HA 0.434 5.174 4.740 -0.000 0.000 0.253 639 N C -1.227 174.357 175.510 0.124 0.000 1.408 639 N CA -0.436 52.677 53.050 0.106 0.000 0.780 639 N CB 1.213 39.747 38.487 0.079 0.000 1.191 639 N HN 0.347 nan 8.380 nan 0.000 0.511 640 D N 0.094 120.567 120.400 0.121 0.000 3.719 640 D HA 0.472 5.112 4.640 -0.000 0.000 0.236 640 D C -0.140 176.240 176.300 0.134 0.000 1.496 640 D CA -0.067 54.007 54.000 0.122 0.000 1.057 640 D CB 0.570 41.448 40.800 0.129 0.000 1.296 640 D HN 0.112 nan 8.370 nan 0.000 0.627 641 Q N -1.185 118.707 119.800 0.154 0.000 2.854 641 Q HA 0.588 4.928 4.340 -0.000 0.000 0.328 641 Q C -1.573 174.560 176.000 0.221 0.000 0.808 641 Q CA -0.604 55.347 55.803 0.246 0.000 0.817 641 Q CB 1.953 30.969 28.738 0.463 0.000 1.377 641 Q HN 0.178 nan 8.270 nan 0.000 0.497 642 S N 0.195 116.063 115.700 0.280 0.000 2.777 642 S HA 0.394 4.864 4.470 -0.000 0.000 0.140 642 S C -1.774 172.925 174.600 0.164 0.000 1.233 642 S CA -0.413 57.894 58.200 0.179 0.000 1.157 642 S CB -0.089 63.157 63.200 0.077 0.000 1.600 642 S HN 0.436 nan 8.310 nan 0.000 0.432 643 F N 4.826 124.783 119.950 0.011 0.000 2.494 643 F HA 0.173 4.700 4.527 -0.000 0.000 0.351 643 F C 1.884 177.672 175.800 -0.020 0.000 1.205 643 F CA -0.488 57.520 58.000 0.013 0.000 1.125 643 F CB 0.344 39.370 39.000 0.043 0.000 1.268 643 F HN 0.559 nan 8.300 nan 0.000 0.593 644 N N 2.354 121.038 118.700 -0.027 0.000 2.009 644 N HA -0.186 4.553 4.740 -0.000 0.000 0.186 644 N C 0.025 175.403 175.510 -0.219 0.000 1.105 644 N CA 1.450 54.437 53.050 -0.106 0.000 0.907 644 N CB -0.233 38.175 38.487 -0.131 0.000 1.046 644 N HN 0.531 nan 8.380 nan 0.000 0.433 645 D N -2.770 117.514 120.400 -0.194 0.000 3.239 645 D HA -0.110 4.530 4.640 -0.000 0.000 0.102 645 D C 0.291 176.504 176.300 -0.146 0.000 0.771 645 D CA -0.027 53.829 54.000 -0.240 0.000 1.726 645 D CB -1.563 38.901 40.800 -0.561 0.000 0.490 645 D HN 0.454 nan 8.370 nan 0.000 0.771 646 Y N 1.513 121.696 120.300 -0.194 0.000 2.110 646 Y HA -0.447 4.103 4.550 -0.000 0.000 0.258 646 Y C 2.185 177.997 175.900 -0.147 0.000 1.271 646 Y CA 2.876 60.875 58.100 -0.169 0.000 1.080 646 Y CB -0.273 38.124 38.460 -0.105 0.000 0.892 646 Y HN 0.504 nan 8.280 nan 0.000 0.510 647 L N 1.301 122.442 121.223 -0.136 0.000 2.283 647 L HA -0.256 4.084 4.340 -0.000 0.000 0.217 647 L C 1.325 178.088 176.870 -0.178 0.000 1.104 647 L CA 1.831 56.572 54.840 -0.165 0.000 0.772 647 L CB -0.819 41.209 42.059 -0.051 0.000 0.899 647 L HN 0.296 nan 8.230 nan 0.000 0.439 648 S N 0.541 116.111 115.700 -0.217 0.000 3.234 648 S HA -0.184 4.286 4.470 -0.000 0.000 0.292 648 S C 0.587 175.150 174.600 -0.060 0.000 0.714 648 S CA 0.481 58.567 58.200 -0.190 0.000 1.311 648 S CB -1.954 61.068 63.200 -0.297 0.000 0.790 648 S HN 0.828 nan 8.310 nan 0.000 0.398 649 A N 0.550 123.355 122.820 -0.024 0.000 2.312 649 A HA 0.797 5.117 4.320 -0.000 0.000 0.326 649 A C 0.294 177.933 177.584 0.091 0.000 1.172 649 A CA -0.158 51.910 52.037 0.053 0.000 0.821 649 A CB 1.223 20.240 19.000 0.029 0.000 1.166 649 A HN 1.084 nan 8.150 nan 0.000 0.493 650 A N 3.124 126.033 122.820 0.149 0.000 2.508 650 A HA 0.456 4.776 4.320 -0.000 0.000 0.336 650 A C -0.309 177.314 177.584 0.065 0.000 1.360 650 A CA -0.811 51.313 52.037 0.145 0.000 0.841 650 A CB -0.216 18.926 19.000 0.236 0.000 1.136 650 A HN 0.744 nan 8.150 nan 0.000 0.489 651 N N 2.328 121.044 118.700 0.027 0.000 2.412 651 N HA 0.180 4.920 4.740 -0.000 0.000 0.279 651 N C -0.428 175.119 175.510 0.061 0.000 1.287 651 N CA 0.667 53.712 53.050 -0.008 0.000 0.948 651 N CB 0.450 39.029 38.487 0.153 0.000 1.255 651 N HN 0.687 nan 8.380 nan 0.000 0.485 652 M N 2.673 122.243 119.600 -0.051 0.000 2.593 652 M HA 0.551 5.031 4.480 -0.000 0.000 0.290 652 M C -1.737 174.665 176.300 0.169 0.000 1.244 652 M CA -0.747 54.597 55.300 0.074 0.000 0.857 652 M CB 1.626 34.246 32.600 0.035 0.000 1.738 652 M HN 0.294 nan 8.290 nan 0.000 0.461 653 L N 0.519 121.814 121.223 0.119 0.000 2.459 653 L HA 0.809 5.149 4.340 -0.000 0.000 0.238 653 L C -1.309 175.411 176.870 -0.250 0.000 1.152 653 L CA -0.781 54.163 54.840 0.173 0.000 1.091 653 L CB 0.371 42.581 42.059 0.252 0.000 1.596 653 L HN 0.788 nan 8.230 nan 0.000 0.422 654 Y N -1.646 118.735 120.300 0.136 0.000 3.008 654 Y HA 0.649 5.199 4.550 -0.000 0.000 0.306 654 Y C -2.341 173.591 175.900 0.053 0.000 1.643 654 Y CA -0.913 57.238 58.100 0.085 0.000 1.087 654 Y CB 0.872 39.387 38.460 0.091 0.000 1.760 654 Y HN 0.555 nan 8.280 nan 0.000 0.438 655 P HA 0.412 nan 4.420 nan 0.000 0.343 655 P C -1.175 176.183 177.300 0.096 0.000 1.358 655 P CA 0.106 63.288 63.100 0.135 0.000 0.802 655 P CB 1.676 33.452 31.700 0.127 0.000 1.886 656 I N -1.847 118.760 120.570 0.061 0.000 5.468 656 I HA -0.057 4.113 4.170 -0.000 0.000 0.297 656 I C -2.308 173.819 176.117 0.017 0.000 1.804 656 I CA -0.512 60.811 61.300 0.039 0.000 1.699 656 I CB -0.118 37.902 38.000 0.034 0.000 3.304 656 I HN 0.249 nan 8.210 nan 0.000 0.320 657 P HA -0.095 nan 4.420 nan 0.000 0.217 657 P C 0.281 177.582 177.300 0.001 0.000 1.215 657 P CA 0.742 63.847 63.100 0.009 0.000 0.793 657 P CB 0.500 32.207 31.700 0.011 0.000 0.606 658 A N -0.625 122.196 122.820 0.001 0.000 3.159 658 A HA 0.538 4.858 4.320 -0.000 0.000 0.330 658 A C -0.456 177.127 177.584 -0.002 0.000 1.032 658 A CA -0.110 51.925 52.037 -0.003 0.000 0.841 658 A CB -1.104 17.896 19.000 -0.000 0.000 1.093 658 A HN 0.538 nan 8.150 nan 0.000 0.478 659 N N -0.771 117.927 118.700 -0.004 0.000 3.473 659 N HA -0.017 4.723 4.740 -0.000 0.000 0.267 659 N C -0.288 175.225 175.510 0.005 0.000 1.047 659 N CA 0.749 53.798 53.050 -0.001 0.000 0.677 659 N CB -1.003 37.485 38.487 0.001 0.000 1.198 659 N HN 1.154 nan 8.380 nan 0.000 0.588 660 A N 0.758 123.582 122.820 0.008 0.000 2.378 660 A HA 0.897 5.217 4.320 -0.000 0.000 0.293 660 A C 0.959 178.556 177.584 0.023 0.000 1.250 660 A CA 0.690 52.737 52.037 0.017 0.000 0.915 660 A CB 1.271 20.285 19.000 0.023 0.000 1.402 660 A HN 0.538 nan 8.150 nan 0.000 0.502 661 T N -1.816 112.755 114.554 0.030 0.000 2.605 661 T HA 0.276 4.626 4.350 -0.000 0.000 0.216 661 T C 0.446 175.176 174.700 0.049 0.000 0.812 661 T CA 0.083 62.205 62.100 0.036 0.000 1.352 661 T CB -0.663 68.220 68.868 0.024 0.000 1.694 661 T HN 0.698 nan 8.240 nan 0.000 0.440 662 N N 0.121 118.841 118.700 0.033 0.000 2.081 662 N HA 0.099 4.839 4.740 -0.000 0.000 0.206 662 N C -0.498 175.008 175.510 -0.007 0.000 1.364 662 N CA 1.186 54.246 53.050 0.017 0.000 0.867 662 N CB 0.130 38.612 38.487 -0.009 0.000 1.019 662 N HN 0.502 nan 8.380 nan 0.000 0.430 663 V N -1.036 118.833 119.914 -0.076 0.000 2.357 663 V HA 0.474 4.594 4.120 -0.000 0.000 0.284 663 V C -2.174 173.840 176.094 -0.133 0.000 1.018 663 V CA -1.393 60.820 62.300 -0.145 0.000 0.841 663 V CB 1.415 33.043 31.823 -0.325 0.000 0.991 663 V HN 0.614 nan 8.190 nan 0.000 0.437 664 P HA 0.408 nan 4.420 nan 0.000 0.243 664 P C -0.204 177.041 177.300 -0.092 0.000 1.672 664 P CA 0.031 63.090 63.100 -0.069 0.000 1.000 664 P CB -0.119 31.565 31.700 -0.027 0.000 1.562 665 I N -3.991 116.471 120.570 -0.180 0.000 3.516 665 I HA 0.887 5.057 4.170 -0.000 0.000 0.307 665 I C -0.964 175.004 176.117 -0.249 0.000 1.157 665 I CA -0.998 60.156 61.300 -0.244 0.000 0.983 665 I CB 2.316 39.991 38.000 -0.542 0.000 1.351 665 I HN -0.107 nan 8.210 nan 0.000 0.484 666 S N 0.723 116.284 115.700 -0.233 0.000 2.735 666 S HA 0.475 4.945 4.470 -0.000 0.000 0.276 666 S C -1.753 172.833 174.600 -0.023 0.000 0.957 666 S CA -0.819 57.294 58.200 -0.144 0.000 0.933 666 S CB 0.135 63.279 63.200 -0.094 0.000 1.182 666 S HN 0.969 nan 8.310 nan 0.000 0.459 667 I N 2.191 122.779 120.570 0.030 0.000 2.863 667 I HA 0.822 4.992 4.170 -0.000 0.000 0.311 667 I C -1.865 174.345 176.117 0.155 0.000 1.026 667 I CA -1.934 59.434 61.300 0.114 0.000 1.077 667 I CB 2.013 40.098 38.000 0.141 0.000 1.262 667 I HN 0.739 nan 8.210 nan 0.000 0.461 668 P HA 0.405 nan 4.420 nan 0.000 0.299 668 P C -0.746 176.810 177.300 0.427 0.000 1.363 668 P CA 0.513 63.761 63.100 0.247 0.000 0.837 668 P CB 0.751 32.567 31.700 0.192 0.000 2.115 669 S N -2.030 113.934 115.700 0.441 0.000 3.211 669 S HA 0.709 5.179 4.470 -0.000 0.000 0.320 669 S C 0.023 174.701 174.600 0.132 0.000 1.225 669 S CA 0.485 59.032 58.200 0.579 0.000 1.044 669 S CB 1.901 65.322 63.200 0.369 0.000 1.410 669 S HN 0.707 nan 8.310 nan 0.000 0.640 670 R N 0.482 120.814 120.500 -0.280 0.000 2.259 670 R HA 0.169 4.509 4.340 -0.000 0.000 0.026 670 R C -0.853 175.050 176.300 -0.661 0.000 0.846 670 R CA 0.561 56.449 56.100 -0.354 0.000 3.237 670 R CB -1.549 28.637 30.300 -0.190 0.000 0.689 670 R HN 1.203 nan 8.270 nan 0.000 0.595 671 N N -1.004 116.960 118.700 -1.226 0.000 4.046 671 N HA 0.248 4.988 4.740 -0.000 0.000 0.217 671 N C -2.063 172.693 175.510 -1.257 0.000 1.317 671 N CA -0.278 52.010 53.050 -1.269 0.000 0.871 671 N CB 0.300 38.447 38.487 -0.566 0.000 1.461 671 N HN 0.392 nan 8.380 nan 0.000 0.489 672 W N 1.295 122.570 121.300 -0.041 0.000 1.645 672 W HA 0.746 5.406 4.660 -0.000 0.000 0.315 672 W C 0.606 177.012 176.519 -0.188 0.000 0.870 672 W CA -0.822 56.480 57.345 -0.071 0.000 2.483 672 W CB -0.053 29.566 29.460 0.264 0.000 1.339 672 W HN 0.717 nan 8.180 nan 0.000 0.549 673 A N 1.809 124.495 122.820 -0.224 0.000 2.639 673 A HA 0.348 4.668 4.320 -0.000 0.000 0.229 673 A C 1.277 178.559 177.584 -0.504 0.000 1.062 673 A CA 0.669 52.533 52.037 -0.289 0.000 0.761 673 A CB -0.390 18.414 19.000 -0.327 0.000 0.988 673 A HN 1.439 nan 8.150 nan 0.000 0.510 674 A N -0.529 121.951 122.820 -0.567 0.000 2.772 674 A HA 0.134 4.454 4.320 -0.000 0.000 0.429 674 A C -0.284 176.843 177.584 -0.762 0.000 2.005 674 A CA 1.405 52.866 52.037 -0.960 0.000 2.277 674 A CB -1.029 16.905 19.000 -1.776 0.000 1.431 674 A HN 2.076 nan 8.150 nan 0.000 0.587 675 F N -0.515 119.259 119.950 -0.293 0.000 2.689 675 F HA 0.465 4.992 4.527 -0.000 0.000 0.314 675 F C 0.550 176.263 175.800 -0.145 0.000 1.068 675 F CA 0.178 57.979 58.000 -0.331 0.000 1.023 675 F CB 1.343 39.524 39.000 -1.366 0.000 1.264 675 F HN 0.834 nan 8.300 nan 0.000 0.474 676 R N 1.423 121.979 120.500 0.093 0.000 2.419 676 R HA 0.657 4.997 4.340 -0.000 0.000 0.235 676 R C 0.433 176.717 176.300 -0.027 0.000 0.899 676 R CA 0.904 56.991 56.100 -0.022 0.000 1.048 676 R CB 0.948 31.112 30.300 -0.227 0.000 1.182 676 R HN 1.001 nan 8.270 nan 0.000 0.544 677 G N -0.495 108.248 108.800 -0.096 0.000 2.512 677 G HA2 0.158 4.118 3.960 -0.000 0.000 0.181 677 G HA3 0.158 4.118 3.960 -0.000 0.000 0.181 677 G C -1.812 172.894 174.900 -0.323 0.000 1.173 677 G CA -0.550 44.458 45.100 -0.153 0.000 0.988 677 G HN 0.084 nan 8.290 nan 0.000 0.485 678 W N -1.071 120.326 121.300 0.161 0.000 2.803 678 W HA 0.755 5.415 4.660 -0.000 0.000 0.424 678 W C 0.027 176.557 176.519 0.018 0.000 1.092 678 W CA 0.036 57.413 57.345 0.052 0.000 1.184 678 W CB 1.176 30.608 29.460 -0.048 0.000 1.470 678 W HN 1.686 nan 8.180 nan 0.000 0.598 679 A N 0.350 123.303 122.820 0.221 0.000 2.410 679 A HA 0.818 5.138 4.320 -0.000 0.000 0.300 679 A C -2.022 175.738 177.584 0.293 0.000 1.077 679 A CA -0.473 51.721 52.037 0.260 0.000 0.610 679 A CB 1.295 20.460 19.000 0.275 0.000 1.371 679 A HN 0.990 nan 8.150 nan 0.000 0.510 680 F N -3.156 116.875 119.950 0.135 0.000 2.799 680 F HA 0.809 5.336 4.527 -0.000 0.000 0.316 680 F C -0.830 175.093 175.800 0.204 0.000 1.155 680 F CA -1.018 57.054 58.000 0.121 0.000 0.916 680 F CB 0.637 39.682 39.000 0.076 0.000 1.294 680 F HN 1.211 nan 8.300 nan 0.000 0.447 681 T N 0.392 115.069 114.554 0.206 0.000 4.227 681 T HA 0.199 4.549 4.350 -0.000 0.000 0.299 681 T C -0.793 173.951 174.700 0.074 0.000 0.686 681 T CA -0.726 61.381 62.100 0.012 0.000 0.900 681 T CB 0.463 69.293 68.868 -0.063 0.000 1.229 681 T HN 1.107 nan 8.240 nan 0.000 0.466 682 R N 3.942 124.457 120.500 0.025 0.000 4.113 682 R HA 0.293 4.633 4.340 -0.000 0.000 0.179 682 R C 1.123 177.379 176.300 -0.074 0.000 1.781 682 R CA -0.402 55.707 56.100 0.015 0.000 1.402 682 R CB -0.962 29.348 30.300 0.016 0.000 1.375 682 R HN 0.661 nan 8.270 nan 0.000 0.786 683 L N -0.956 120.228 121.223 -0.066 0.000 2.080 683 L HA -0.060 4.280 4.340 -0.000 0.000 0.190 683 L C 0.416 177.191 176.870 -0.158 0.000 1.067 683 L CA 0.548 55.316 54.840 -0.119 0.000 0.871 683 L CB -0.123 41.816 42.059 -0.201 0.000 1.052 683 L HN 0.236 nan 8.230 nan 0.000 0.625 684 K N -1.951 118.356 120.400 -0.155 0.000 2.469 684 K HA 0.307 4.627 4.320 -0.000 0.000 0.254 684 K C 0.260 176.765 176.600 -0.157 0.000 0.939 684 K CA -0.315 55.875 56.287 -0.162 0.000 0.812 684 K CB 2.171 34.569 32.500 -0.170 0.000 1.301 684 K HN 0.654 nan 8.250 nan 0.000 0.433 685 T N 1.651 116.124 114.554 -0.135 0.000 2.896 685 T HA -0.053 4.297 4.350 -0.000 0.000 0.263 685 T C 1.379 175.996 174.700 -0.138 0.000 1.050 685 T CA 0.943 62.969 62.100 -0.124 0.000 1.140 685 T CB 0.064 68.878 68.868 -0.089 0.000 0.877 685 T HN 0.338 nan 8.240 nan 0.000 0.457 686 K N 1.983 122.284 120.400 -0.165 0.000 2.025 686 K HA 0.010 4.330 4.320 -0.000 0.000 0.207 686 K C 1.503 177.904 176.600 -0.331 0.000 1.049 686 K CA 0.983 57.148 56.287 -0.202 0.000 0.933 686 K CB -0.307 32.046 32.500 -0.245 0.000 0.714 686 K HN 0.532 nan 8.250 nan 0.000 0.438 687 E N 1.057 120.973 120.200 -0.474 0.000 2.424 687 E HA 0.044 4.394 4.350 -0.000 0.000 0.237 687 E C -0.648 175.862 176.600 -0.149 0.000 1.381 687 E CA 0.113 56.276 56.400 -0.396 0.000 1.587 687 E CB -0.217 29.290 29.700 -0.322 0.000 1.398 687 E HN -0.002 nan 8.360 nan 0.000 0.439 688 T N 1.027 115.473 114.554 -0.180 0.000 2.993 688 T HA 0.318 4.668 4.350 -0.000 0.000 0.312 688 T C -2.562 171.897 174.700 -0.401 0.000 1.115 688 T CA -1.195 60.721 62.100 -0.307 0.000 1.027 688 T CB 2.551 71.300 68.868 -0.198 0.000 1.116 688 T HN 0.009 nan 8.240 nan 0.000 0.464 689 P HA 0.755 nan 4.420 nan 0.000 0.328 689 P C -1.127 176.039 177.300 -0.223 0.000 1.257 689 P CA -0.722 62.130 63.100 -0.413 0.000 0.795 689 P CB 1.110 32.410 31.700 -0.666 0.000 1.903 690 S N -1.117 114.491 115.700 -0.153 0.000 2.705 690 S HA 0.217 4.687 4.470 -0.000 0.000 0.163 690 S C -0.610 173.961 174.600 -0.048 0.000 0.785 690 S CA -0.436 57.704 58.200 -0.099 0.000 0.990 690 S CB -0.863 62.277 63.200 -0.100 0.000 1.526 690 S HN 0.204 nan 8.310 nan 0.000 0.434 691 L N 2.746 123.945 121.223 -0.040 0.000 2.536 691 L HA 0.354 4.694 4.340 -0.000 0.000 0.282 691 L C 1.270 178.148 176.870 0.014 0.000 1.147 691 L CA 0.385 55.228 54.840 0.004 0.000 0.936 691 L CB 0.218 42.293 42.059 0.027 0.000 1.279 691 L HN 0.839 nan 8.230 nan 0.000 0.461 692 G N 0.872 109.681 108.800 0.015 0.000 2.799 692 G HA2 0.078 4.038 3.960 -0.000 0.000 0.201 692 G HA3 0.078 4.038 3.960 -0.000 0.000 0.201 692 G C 0.245 175.154 174.900 0.015 0.000 1.142 692 G CA 0.014 45.121 45.100 0.011 0.000 0.910 692 G HN 0.508 nan 8.290 nan 0.000 0.710 693 S N -0.471 115.242 115.700 0.022 0.000 2.690 693 S HA 0.574 5.044 4.470 -0.000 0.000 0.291 693 S C 1.110 175.698 174.600 -0.020 0.000 1.138 693 S CA 0.086 58.290 58.200 0.007 0.000 1.013 693 S CB 1.829 65.042 63.200 0.021 0.000 1.053 693 S HN 0.258 nan 8.310 nan 0.000 0.539 694 G N -0.855 107.825 108.800 -0.200 0.000 2.939 694 G HA2 0.138 4.098 3.960 -0.000 0.000 0.216 694 G HA3 0.138 4.098 3.960 -0.000 0.000 0.216 694 G C -0.450 174.136 174.900 -0.523 0.000 1.125 694 G CA 0.122 45.042 45.100 -0.299 0.000 0.766 694 G HN 0.608 nan 8.290 nan 0.000 0.541 695 Y N 1.328 121.289 120.300 -0.565 0.000 2.594 695 Y HA 0.419 4.969 4.550 -0.000 0.000 0.338 695 Y C -1.211 174.649 175.900 -0.067 0.000 1.019 695 Y CA -1.437 56.497 58.100 -0.277 0.000 1.306 695 Y CB 1.095 39.423 38.460 -0.220 0.000 1.094 695 Y HN -0.015 nan 8.280 nan 0.000 0.534 696 D N 6.838 127.162 120.400 -0.127 0.000 2.365 696 D HA 0.213 4.853 4.640 -0.000 0.000 0.237 696 D C -1.823 174.527 176.300 0.084 0.000 1.190 696 D CA -1.818 52.223 54.000 0.068 0.000 0.867 696 D CB 1.348 42.249 40.800 0.169 0.000 1.050 696 D HN 0.264 nan 8.370 nan 0.000 0.491 697 P HA -0.041 nan 4.420 nan 0.000 0.232 697 P C 0.655 178.046 177.300 0.152 0.000 1.170 697 P CA 0.251 63.458 63.100 0.179 0.000 0.824 697 P CB 0.250 32.070 31.700 0.199 0.000 0.896 698 Y N -1.193 119.182 120.300 0.125 0.000 2.490 698 Y HA 0.116 4.666 4.550 -0.000 0.000 0.281 698 Y C 0.327 176.340 175.900 0.189 0.000 1.174 698 Y CA -0.037 58.132 58.100 0.115 0.000 1.295 698 Y CB -0.217 38.290 38.460 0.078 0.000 1.062 698 Y HN -0.122 nan 8.280 nan 0.000 0.522 699 Y N 0.743 121.146 120.300 0.172 0.000 2.658 699 Y HA 0.222 4.772 4.550 -0.000 0.000 0.362 699 Y C 1.231 177.178 175.900 0.079 0.000 1.017 699 Y CA -1.416 56.752 58.100 0.114 0.000 1.134 699 Y CB -0.284 38.215 38.460 0.064 0.000 1.144 699 Y HN 0.092 nan 8.280 nan 0.000 0.655 700 T N -1.387 113.208 114.554 0.069 0.000 3.113 700 T HA -0.036 4.314 4.350 -0.000 0.000 0.256 700 T C 0.513 175.122 174.700 -0.152 0.000 1.131 700 T CA 0.353 62.426 62.100 -0.045 0.000 1.074 700 T CB -0.487 68.400 68.868 0.033 0.000 0.944 700 T HN 0.364 nan 8.240 nan 0.000 0.516 701 Y N 3.759 123.833 120.300 -0.378 0.000 2.644 701 Y HA 0.321 4.871 4.550 -0.000 0.000 0.354 701 Y C 1.703 177.247 175.900 -0.595 0.000 1.166 701 Y CA -0.901 56.973 58.100 -0.377 0.000 1.591 701 Y CB -0.000 38.415 38.460 -0.075 0.000 1.346 701 Y HN 0.318 nan 8.280 nan 0.000 0.497 702 S N 2.816 118.181 115.700 -0.558 0.000 2.325 702 S HA -0.028 4.441 4.470 -0.000 0.000 0.213 702 S C 1.949 176.287 174.600 -0.437 0.000 1.031 702 S CA 0.699 58.634 58.200 -0.442 0.000 0.984 702 S CB -1.180 61.842 63.200 -0.297 0.000 0.939 702 S HN 0.790 nan 8.310 nan 0.000 0.438 703 G N 1.735 110.213 108.800 -0.537 0.000 2.420 703 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.248 703 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.248 703 G C 0.510 175.247 174.900 -0.271 0.000 1.098 703 G CA 0.672 45.514 45.100 -0.430 0.000 1.001 703 G HN 0.666 nan 8.290 nan 0.000 0.710 704 S N -0.895 114.691 115.700 -0.189 0.000 2.569 704 S HA 0.373 4.843 4.470 -0.000 0.000 0.274 704 S C -0.028 174.716 174.600 0.239 0.000 1.353 704 S CA 0.354 58.593 58.200 0.065 0.000 1.023 704 S CB 0.074 63.342 63.200 0.115 0.000 0.876 704 S HN 0.380 nan 8.310 nan 0.000 0.540 705 I N 3.371 123.974 120.570 0.056 0.000 2.710 705 I HA 0.194 4.364 4.170 -0.000 0.000 0.283 705 I C -2.114 173.872 176.117 -0.219 0.000 1.355 705 I CA -1.298 59.997 61.300 -0.009 0.000 1.094 705 I CB 2.210 40.267 38.000 0.095 0.000 1.365 705 I HN 0.465 nan 8.210 nan 0.000 0.435 706 P HA -0.125 nan 4.420 nan 0.000 0.203 706 P C 0.925 177.964 177.300 -0.435 0.000 0.968 706 P CA 1.208 63.936 63.100 -0.620 0.000 0.904 706 P CB 0.055 31.246 31.700 -0.849 0.000 0.646 707 Y N -1.278 118.833 120.300 -0.315 0.000 1.384 707 Y HA -0.296 4.254 4.550 -0.000 0.000 0.095 707 Y C 1.639 177.411 175.900 -0.215 0.000 0.643 707 Y CA 0.671 58.632 58.100 -0.231 0.000 0.404 707 Y CB -2.216 36.147 38.460 -0.162 0.000 0.530 707 Y HN -0.065 nan 8.280 nan 0.000 0.792 708 L N 1.849 123.105 121.223 0.055 0.000 3.461 708 L HA -0.027 4.313 4.340 -0.000 0.000 0.246 708 L C -0.139 176.649 176.870 -0.136 0.000 1.454 708 L CA 1.146 55.957 54.840 -0.047 0.000 1.091 708 L CB -0.941 41.089 42.059 -0.048 0.000 1.512 708 L HN 0.468 nan 8.230 nan 0.000 0.444 709 D N -0.160 120.116 120.400 -0.207 0.000 3.244 709 D HA 0.087 4.727 4.640 -0.000 0.000 0.292 709 D C 1.014 177.059 176.300 -0.425 0.000 1.652 709 D CA -0.035 53.762 54.000 -0.338 0.000 0.803 709 D CB 0.331 40.872 40.800 -0.431 0.000 1.390 709 D HN 0.229 nan 8.370 nan 0.000 0.528 710 G N 2.053 110.691 108.800 -0.270 0.000 2.064 710 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.243 710 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.243 710 G C 0.315 174.921 174.900 -0.491 0.000 0.594 710 G CA 1.275 46.206 45.100 -0.281 0.000 1.003 710 G HN 0.501 nan 8.290 nan 0.000 0.403 711 T N -1.463 112.657 114.554 -0.723 0.000 2.912 711 T HA 0.641 4.991 4.350 -0.000 0.000 0.299 711 T C -0.362 173.770 174.700 -0.946 0.000 1.052 711 T CA -0.934 60.724 62.100 -0.737 0.000 0.996 711 T CB 1.761 70.113 68.868 -0.859 0.000 1.070 711 T HN 0.214 nan 8.240 nan 0.000 0.465 712 F N 2.271 121.977 119.950 -0.407 0.000 2.688 712 F HA 0.221 4.748 4.527 -0.000 0.000 0.376 712 F C 1.274 177.083 175.800 0.015 0.000 1.428 712 F CA -1.277 56.447 58.000 -0.460 0.000 1.156 712 F CB 0.095 38.205 39.000 -1.484 0.000 1.141 712 F HN 0.654 nan 8.300 nan 0.000 0.521 713 Y N 0.156 120.426 120.300 -0.050 0.000 2.069 713 Y HA -0.188 4.362 4.550 -0.000 0.000 0.278 713 Y C 0.905 176.841 175.900 0.059 0.000 1.175 713 Y CA 0.569 58.694 58.100 0.042 0.000 1.134 713 Y CB -1.180 37.295 38.460 0.025 0.000 0.965 713 Y HN 0.250 nan 8.280 nan 0.000 0.498 714 L N 1.780 122.947 121.223 -0.092 0.000 2.371 714 L HA 0.489 4.829 4.340 -0.000 0.000 0.262 714 L C -0.984 175.699 176.870 -0.312 0.000 1.054 714 L CA 0.196 54.846 54.840 -0.317 0.000 0.924 714 L CB 0.092 41.728 42.059 -0.704 0.000 1.295 714 L HN 0.125 nan 8.230 nan 0.000 0.441 715 N N 0.886 119.453 118.700 -0.221 0.000 2.381 715 N HA 0.130 4.870 4.740 -0.000 0.000 0.257 715 N C 0.354 175.565 175.510 -0.499 0.000 1.409 715 N CA 0.014 52.816 53.050 -0.413 0.000 0.836 715 N CB 0.226 38.503 38.487 -0.349 0.000 1.384 715 N HN 0.733 nan 8.380 nan 0.000 0.490 716 H N -2.380 116.441 119.070 -0.415 0.000 2.874 716 H HA 0.196 4.752 4.556 -0.000 0.000 0.264 716 H C -0.044 175.113 175.328 -0.286 0.000 1.007 716 H CA 0.217 56.026 56.048 -0.400 0.000 1.207 716 H CB -0.225 29.295 29.762 -0.403 0.000 1.487 716 H HN 0.032 nan 8.280 nan 0.000 0.505 717 T N -0.492 113.574 114.554 -0.813 0.000 3.455 717 T HA 0.369 4.719 4.350 -0.000 0.000 0.286 717 T C -0.225 174.473 174.700 -0.003 0.000 1.157 717 T CA -0.351 61.514 62.100 -0.391 0.000 1.090 717 T CB -0.988 67.642 68.868 -0.396 0.000 1.112 717 T HN 0.230 nan 8.240 nan 0.000 0.779 718 F N 1.165 121.063 119.950 -0.086 0.000 3.043 718 F HA 0.758 5.285 4.527 -0.000 0.000 0.357 718 F C 0.623 176.402 175.800 -0.034 0.000 1.302 718 F CA -1.721 56.240 58.000 -0.066 0.000 1.069 718 F CB 1.835 40.831 39.000 -0.006 0.000 1.539 718 F HN 0.451 nan 8.300 nan 0.000 0.505 719 K N 0.074 120.565 120.400 0.153 0.000 7.011 719 K HA -0.069 4.251 4.320 -0.000 0.000 0.725 719 K C -1.602 174.975 176.600 -0.038 0.000 1.153 719 K CA -0.699 55.626 56.287 0.063 0.000 1.042 719 K CB -0.285 32.253 32.500 0.063 0.000 1.777 719 K HN 0.363 nan 8.250 nan 0.000 0.922 720 K N 1.483 121.874 120.400 -0.015 0.000 2.441 720 K HA 0.085 4.405 4.320 -0.000 0.000 0.273 720 K C -0.383 176.189 176.600 -0.047 0.000 1.090 720 K CA 0.346 56.621 56.287 -0.021 0.000 1.158 720 K CB 0.293 32.795 32.500 0.004 0.000 0.847 720 K HN 0.327 nan 8.250 nan 0.000 0.483 721 V N 1.366 121.234 119.914 -0.076 0.000 4.306 721 V HA 0.865 4.985 4.120 -0.000 0.000 0.303 721 V C -0.513 175.630 176.094 0.083 0.000 1.454 721 V CA -0.133 62.110 62.300 -0.095 0.000 0.910 721 V CB 1.403 32.910 31.823 -0.527 0.000 1.241 721 V HN 0.958 nan 8.190 nan 0.000 0.466 722 A N -0.683 122.190 122.820 0.089 0.000 4.563 722 A HA 0.261 4.581 4.320 -0.000 0.000 0.521 722 A C -1.242 176.505 177.584 0.272 0.000 1.469 722 A CA 0.224 52.455 52.037 0.323 0.000 0.459 722 A CB -1.348 17.891 19.000 0.397 0.000 2.957 722 A HN 1.134 nan 8.150 nan 0.000 0.464 723 I N -2.773 118.063 120.570 0.444 0.000 3.421 723 I HA 0.699 4.869 4.170 -0.000 0.000 0.319 723 I C 0.636 176.896 176.117 0.240 0.000 1.258 723 I CA -0.260 61.178 61.300 0.229 0.000 0.913 723 I CB 1.788 39.870 38.000 0.136 0.000 1.328 723 I HN 1.077 nan 8.210 nan 0.000 0.480 724 T N -0.938 113.727 114.554 0.186 0.000 3.368 724 T HA 0.448 4.798 4.350 -0.000 0.000 0.118 724 T C -0.352 174.485 174.700 0.229 0.000 0.788 724 T CA 0.192 62.405 62.100 0.189 0.000 0.733 724 T CB 1.036 69.966 68.868 0.103 0.000 1.236 724 T HN 0.740 nan 8.240 nan 0.000 0.259 725 F N -0.020 119.910 119.950 -0.033 0.000 2.229 725 F HA -0.031 4.496 4.527 -0.000 0.000 0.316 725 F C -1.101 174.698 175.800 -0.000 0.000 0.614 725 F CA -0.174 57.784 58.000 -0.071 0.000 0.909 725 F CB -0.553 38.362 39.000 -0.141 0.000 4.105 725 F HN 0.330 nan 8.300 nan 0.000 0.140 726 D N 1.706 121.900 120.400 -0.343 0.000 2.490 726 D HA 0.156 4.796 4.640 -0.000 0.000 0.255 726 D C 0.850 177.087 176.300 -0.104 0.000 1.248 726 D CA 1.443 55.265 54.000 -0.297 0.000 0.887 726 D CB -0.273 40.277 40.800 -0.417 0.000 0.978 726 D HN 0.580 nan 8.370 nan 0.000 0.491 727 S N -1.621 114.070 115.700 -0.015 0.000 2.314 727 S HA -0.298 4.172 4.470 -0.000 0.000 0.232 727 S C 1.483 176.084 174.600 0.001 0.000 1.223 727 S CA 1.566 59.767 58.200 0.001 0.000 1.673 727 S CB -1.401 61.790 63.200 -0.015 0.000 2.201 727 S HN 0.306 nan 8.310 nan 0.000 0.619 728 S N 0.318 116.005 115.700 -0.023 0.000 2.671 728 S HA 0.422 4.892 4.470 -0.000 0.000 0.220 728 S C 0.218 174.838 174.600 0.033 0.000 0.951 728 S CA 0.468 58.660 58.200 -0.014 0.000 0.932 728 S CB 0.438 63.604 63.200 -0.057 0.000 0.777 728 S HN 0.514 nan 8.310 nan 0.000 0.508 729 V N 2.287 122.246 119.914 0.074 0.000 2.383 729 V HA 0.238 4.358 4.120 -0.000 0.000 0.261 729 V C 0.531 176.729 176.094 0.174 0.000 0.987 729 V CA -0.461 61.928 62.300 0.149 0.000 0.853 729 V CB 0.948 32.887 31.823 0.192 0.000 1.095 729 V HN 0.341 nan 8.190 nan 0.000 0.461 730 S N 3.886 119.655 115.700 0.114 0.000 3.613 730 S HA -0.019 4.451 4.470 -0.000 0.000 0.220 730 S C 0.299 174.950 174.600 0.084 0.000 1.261 730 S CA -0.446 57.793 58.200 0.065 0.000 1.143 730 S CB -0.693 62.508 63.200 0.002 0.000 1.315 730 S HN 0.586 nan 8.310 nan 0.000 0.450 731 W N 3.239 124.517 121.300 -0.037 0.000 2.484 731 W HA 0.073 4.733 4.660 -0.000 0.000 0.337 731 W C -1.672 174.628 176.519 -0.364 0.000 1.214 731 W CA -1.477 55.844 57.345 -0.040 0.000 1.296 731 W CB 0.506 30.024 29.460 0.098 0.000 1.174 731 W HN 0.343 nan 8.180 nan 0.000 0.564 732 P HA 0.102 nan 4.420 nan 0.000 0.220 732 P C 0.845 178.070 177.300 -0.125 0.000 1.154 732 P CA 1.932 64.788 63.100 -0.405 0.000 0.837 732 P CB 0.463 31.864 31.700 -0.498 0.000 0.815 733 G N 0.953 109.645 108.800 -0.181 0.000 2.498 733 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.245 733 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.245 733 G C 0.288 175.149 174.900 -0.065 0.000 1.204 733 G CA 0.221 45.270 45.100 -0.084 0.000 0.933 733 G HN 0.253 nan 8.290 nan 0.000 0.574 734 N N 0.831 119.521 118.700 -0.016 0.000 2.536 734 N HA -0.235 4.505 4.740 -0.000 0.000 0.241 734 N C 0.351 175.848 175.510 -0.023 0.000 1.254 734 N CA 2.302 55.349 53.050 -0.005 0.000 0.786 734 N CB -0.961 37.537 38.487 0.018 0.000 1.197 734 N HN 1.392 nan 8.380 nan 0.000 0.579 735 D N -0.887 119.484 120.400 -0.048 0.000 4.597 735 D HA -0.187 4.453 4.640 -0.000 0.000 0.234 735 D C 0.944 177.217 176.300 -0.045 0.000 1.052 735 D CA 1.120 55.088 54.000 -0.052 0.000 1.265 735 D CB 0.149 40.929 40.800 -0.033 0.000 0.738 735 D HN 0.565 nan 8.370 nan 0.000 0.372 736 R N 1.571 122.033 120.500 -0.062 0.000 2.977 736 R HA 0.220 4.560 4.340 -0.000 0.000 0.161 736 R C 1.276 177.546 176.300 -0.051 0.000 0.805 736 R CA -0.352 55.719 56.100 -0.049 0.000 1.044 736 R CB -0.230 30.037 30.300 -0.055 0.000 1.433 736 R HN 0.231 nan 8.270 nan 0.000 0.570 737 L N 1.315 122.498 121.223 -0.067 0.000 2.615 737 L HA 0.147 4.487 4.340 -0.000 0.000 0.155 737 L C 1.359 178.210 176.870 -0.031 0.000 1.194 737 L CA 0.276 55.083 54.840 -0.055 0.000 1.826 737 L CB -0.149 41.880 42.059 -0.049 0.000 2.324 737 L HN 0.080 nan 8.230 nan 0.000 0.520 738 L N -1.924 119.294 121.223 -0.007 0.000 3.184 738 L HA 0.288 4.628 4.340 -0.000 0.000 0.283 738 L C 0.409 177.284 176.870 0.008 0.000 1.218 738 L CA 0.143 55.007 54.840 0.040 0.000 1.028 738 L CB 0.187 42.326 42.059 0.132 0.000 1.400 738 L HN 0.699 nan 8.230 nan 0.000 0.591 739 T N -4.689 109.840 114.554 -0.041 0.000 4.130 739 T HA 0.301 4.651 4.350 -0.000 0.000 0.262 739 T C -2.307 172.284 174.700 -0.181 0.000 0.951 739 T CA -0.786 61.265 62.100 -0.081 0.000 1.180 739 T CB 0.349 69.187 68.868 -0.050 0.000 1.009 739 T HN -0.202 nan 8.240 nan 0.000 0.536 740 P HA -0.105 nan 4.420 nan 0.000 0.221 740 P C 1.127 178.206 177.300 -0.369 0.000 1.145 740 P CA 1.232 64.141 63.100 -0.319 0.000 0.795 740 P CB -0.100 31.478 31.700 -0.203 0.000 0.775 741 N N 0.633 119.194 118.700 -0.233 0.000 2.002 741 N HA -0.222 4.518 4.740 -0.000 0.000 0.199 741 N C 1.508 176.888 175.510 -0.217 0.000 1.067 741 N CA 1.756 54.698 53.050 -0.180 0.000 0.870 741 N CB -1.222 37.197 38.487 -0.112 0.000 1.073 741 N HN 0.290 nan 8.380 nan 0.000 0.432 742 E N -1.272 118.820 120.200 -0.179 0.000 2.066 742 E HA 0.162 4.512 4.350 -0.000 0.000 0.207 742 E C 0.485 176.968 176.600 -0.194 0.000 0.937 742 E CA 0.594 56.924 56.400 -0.117 0.000 0.906 742 E CB 0.004 29.681 29.700 -0.038 0.000 0.986 742 E HN 0.438 nan 8.360 nan 0.000 0.490 743 F N 0.289 120.166 119.950 -0.121 0.000 3.372 743 F HA 0.023 4.550 4.527 -0.000 0.000 0.400 743 F C -0.812 174.887 175.800 -0.168 0.000 1.081 743 F CA -0.275 57.623 58.000 -0.170 0.000 0.664 743 F CB 0.550 39.410 39.000 -0.233 0.000 1.865 743 F HN -0.075 nan 8.300 nan 0.000 0.450 744 E N 1.528 121.744 120.200 0.028 0.000 7.252 744 E HA -0.223 4.127 4.350 -0.000 0.000 0.437 744 E C 0.245 176.815 176.600 -0.049 0.000 0.908 744 E CA 1.673 58.065 56.400 -0.013 0.000 1.541 744 E CB -0.040 29.662 29.700 0.003 0.000 0.881 744 E HN 0.474 nan 8.360 nan 0.000 0.372 745 I N -0.309 120.243 120.570 -0.030 0.000 4.661 745 I HA 0.116 4.286 4.170 -0.000 0.000 0.372 745 I C 0.160 176.429 176.117 0.253 0.000 1.209 745 I CA -0.152 61.150 61.300 0.004 0.000 1.313 745 I CB 0.501 38.294 38.000 -0.346 0.000 1.949 745 I HN 0.490 nan 8.210 nan 0.000 0.651 746 K N 1.851 122.364 120.400 0.189 0.000 2.663 746 K HA 0.383 4.702 4.320 -0.000 0.000 0.267 746 K C -1.670 175.013 176.600 0.138 0.000 1.004 746 K CA -0.561 55.860 56.287 0.224 0.000 0.947 746 K CB 2.131 34.815 32.500 0.306 0.000 1.372 746 K HN 0.028 nan 8.250 nan 0.000 0.411 747 R N 2.453 123.024 120.500 0.119 0.000 2.576 747 R HA 0.189 4.529 4.340 -0.000 0.000 0.283 747 R C -0.472 175.875 176.300 0.078 0.000 1.493 747 R CA -0.373 55.769 56.100 0.070 0.000 1.170 747 R CB 1.495 31.807 30.300 0.020 0.000 1.189 747 R HN 0.681 nan 8.270 nan 0.000 0.542 748 S N 1.640 117.395 115.700 0.091 0.000 3.266 748 S HA -0.062 4.408 4.470 -0.000 0.000 0.245 748 S C 0.026 174.672 174.600 0.076 0.000 0.992 748 S CA 0.851 59.107 58.200 0.094 0.000 1.191 748 S CB -0.641 62.614 63.200 0.091 0.000 1.073 748 S HN 0.499 nan 8.310 nan 0.000 0.504 749 V N 0.149 120.103 119.914 0.067 0.000 6.240 749 V HA -0.143 3.977 4.120 -0.000 0.000 0.374 749 V C 0.264 176.379 176.094 0.034 0.000 0.442 749 V CA 0.524 62.856 62.300 0.054 0.000 1.194 749 V CB -1.878 29.980 31.823 0.058 0.000 1.310 749 V HN 0.509 nan 8.190 nan 0.000 0.639 750 D N 1.092 121.504 120.400 0.019 0.000 3.066 750 D HA 0.564 5.204 4.640 -0.000 0.000 0.225 750 D C 1.188 177.470 176.300 -0.030 0.000 1.397 750 D CA 1.075 55.062 54.000 -0.022 0.000 1.344 750 D CB 0.374 41.137 40.800 -0.062 0.000 0.934 750 D HN 0.735 nan 8.370 nan 0.000 0.202 751 G N 0.234 108.965 108.800 -0.115 0.000 2.335 751 G HA2 0.348 4.308 3.960 -0.000 0.000 0.314 751 G HA3 0.348 4.308 3.960 -0.000 0.000 0.314 751 G C 0.081 175.147 174.900 0.276 0.000 1.129 751 G CA -0.270 44.776 45.100 -0.090 0.000 0.912 751 G HN 0.213 nan 8.290 nan 0.000 0.443 752 E N 2.252 122.667 120.200 0.358 0.000 2.276 752 E HA 0.005 4.355 4.350 -0.000 0.000 0.193 752 E C 2.278 178.992 176.600 0.191 0.000 0.983 752 E CA 0.487 57.027 56.400 0.232 0.000 0.861 752 E CB 0.426 30.197 29.700 0.118 0.000 0.817 752 E HN 0.575 nan 8.360 nan 0.000 0.485 753 G N 0.992 109.846 108.800 0.090 0.000 2.586 753 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.215 753 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.215 753 G C 0.778 175.578 174.900 -0.167 0.000 1.128 753 G CA 0.437 45.419 45.100 -0.197 0.000 0.774 753 G HN 0.426 nan 8.290 nan 0.000 0.543 754 Y N -1.849 118.454 120.300 0.005 0.000 2.768 754 Y HA 0.476 5.026 4.550 -0.000 0.000 0.249 754 Y C -0.093 175.819 175.900 0.020 0.000 1.146 754 Y CA -1.368 56.736 58.100 0.007 0.000 1.171 754 Y CB 0.229 38.689 38.460 0.001 0.000 1.249 754 Y HN -0.065 nan 8.280 nan 0.000 0.567 755 N N 0.774 119.604 118.700 0.217 0.000 2.310 755 N HA 0.512 5.252 4.740 -0.000 0.000 0.292 755 N C -1.133 174.423 175.510 0.076 0.000 1.049 755 N CA -0.455 52.667 53.050 0.120 0.000 0.849 755 N CB 2.973 41.522 38.487 0.103 0.000 1.532 755 N HN 0.118 nan 8.380 nan 0.000 0.479 756 V N 1.080 121.012 119.914 0.030 0.000 3.815 756 V HA 0.700 4.820 4.120 -0.000 0.000 0.284 756 V C 0.061 176.095 176.094 -0.100 0.000 1.266 756 V CA -0.712 61.577 62.300 -0.019 0.000 0.923 756 V CB 1.308 33.149 31.823 0.029 0.000 1.267 756 V HN 0.794 nan 8.190 nan 0.000 0.461 757 A N 1.410 124.132 122.820 -0.163 0.000 3.698 757 A HA -0.016 4.304 4.320 -0.000 0.000 0.287 757 A C 0.741 178.235 177.584 -0.149 0.000 2.235 757 A CA 1.405 53.337 52.037 -0.175 0.000 1.372 757 A CB -1.584 17.261 19.000 -0.258 0.000 0.722 757 A HN 1.178 nan 8.150 nan 0.000 0.528 758 Q N -3.211 116.536 119.800 -0.088 0.000 2.473 758 Q HA -0.165 4.175 4.340 -0.000 0.000 0.269 758 Q C 0.152 176.132 176.000 -0.032 0.000 0.865 758 Q CA 1.184 56.959 55.803 -0.047 0.000 1.115 758 Q CB -2.506 26.210 28.738 -0.036 0.000 1.248 758 Q HN 1.487 nan 8.270 nan 0.000 0.647 759 C N -3.087 116.185 119.300 -0.048 0.000 3.697 759 C HA 0.814 5.274 4.460 -0.000 0.000 0.325 759 C C 0.693 175.715 174.990 0.054 0.000 5.112 759 C CA 0.071 59.101 59.018 0.020 0.000 1.510 759 C CB 0.460 28.212 27.740 0.021 0.000 5.885 759 C HN 0.525 nan 8.230 nan 0.000 0.485 760 N N -0.457 118.314 118.700 0.119 0.000 2.307 760 N HA 0.210 4.950 4.740 -0.000 0.000 0.248 760 N C -0.548 175.064 175.510 0.169 0.000 1.322 760 N CA -0.055 53.078 53.050 0.138 0.000 0.861 760 N CB 0.081 38.662 38.487 0.157 0.000 1.303 760 N HN 0.668 nan 8.380 nan 0.000 0.498 761 M N 2.786 122.433 119.600 0.078 0.000 2.077 761 M HA 0.214 4.694 4.480 -0.000 0.000 0.348 761 M C -0.258 176.101 176.300 0.098 0.000 1.252 761 M CA 0.005 55.372 55.300 0.111 0.000 1.096 761 M CB 0.487 33.013 32.600 -0.123 0.000 1.568 761 M HN 0.280 nan 8.290 nan 0.000 0.456 762 T N 2.681 117.316 114.554 0.136 0.000 2.897 762 T HA -0.045 4.305 4.350 -0.000 0.000 0.304 762 T C 0.601 175.383 174.700 0.138 0.000 1.051 762 T CA 0.029 62.199 62.100 0.118 0.000 1.132 762 T CB 0.101 69.027 68.868 0.097 0.000 1.066 762 T HN 0.538 nan 8.240 nan 0.000 0.518 763 K N 3.314 123.797 120.400 0.140 0.000 1.925 763 K HA 0.005 4.325 4.320 -0.000 0.000 0.216 763 K C -0.115 176.502 176.600 0.028 0.000 1.159 763 K CA 0.527 56.896 56.287 0.137 0.000 1.219 763 K CB -0.239 32.330 32.500 0.114 0.000 1.143 763 K HN 0.634 nan 8.250 nan 0.000 0.258 764 D N -0.208 120.178 120.400 -0.025 0.000 3.158 764 D HA 0.035 4.675 4.640 -0.000 0.000 0.314 764 D C 1.098 177.155 176.300 -0.406 0.000 1.308 764 D CA -0.535 53.361 54.000 -0.173 0.000 1.001 764 D CB -0.046 40.794 40.800 0.066 0.000 1.389 764 D HN 0.392 nan 8.370 nan 0.000 0.595 765 W N 2.092 123.190 121.300 -0.337 0.000 1.971 765 W HA -0.447 4.213 4.660 -0.000 0.000 0.331 765 W C 1.371 177.702 176.519 -0.313 0.000 1.470 765 W CA 2.306 59.475 57.345 -0.294 0.000 1.687 765 W CB -2.157 27.209 29.460 -0.156 0.000 1.028 765 W HN 0.444 nan 8.180 nan 0.000 0.505 766 F N 2.121 121.415 119.950 -1.093 0.000 2.257 766 F HA -0.227 4.300 4.527 -0.000 0.000 0.302 766 F C 2.158 177.462 175.800 -0.827 0.000 1.056 766 F CA 2.135 59.420 58.000 -1.191 0.000 1.353 766 F CB -1.769 36.739 39.000 -0.820 0.000 1.064 766 F HN 0.086 nan 8.300 nan 0.000 0.520 767 L N -1.542 119.212 121.223 -0.781 0.000 2.622 767 L HA 0.047 4.387 4.340 -0.000 0.000 0.233 767 L C 1.833 178.498 176.870 -0.341 0.000 1.156 767 L CA 0.172 54.723 54.840 -0.482 0.000 0.866 767 L CB -1.154 40.572 42.059 -0.555 0.000 0.980 767 L HN 0.149 nan 8.230 nan 0.000 0.448 768 V N 0.238 119.924 119.914 -0.380 0.000 2.407 768 V HA -0.159 3.961 4.120 -0.000 0.000 0.245 768 V C 2.648 178.680 176.094 -0.103 0.000 1.041 768 V CA 1.335 63.519 62.300 -0.195 0.000 1.040 768 V CB -0.277 31.497 31.823 -0.082 0.000 0.671 768 V HN 0.505 nan 8.190 nan 0.000 0.455 769 Q N 0.632 120.307 119.800 -0.208 0.000 1.803 769 Q HA -0.252 4.088 4.340 -0.000 0.000 0.284 769 Q C 2.375 178.465 176.000 0.150 0.000 1.004 769 Q CA 2.057 57.871 55.803 0.019 0.000 0.889 769 Q CB -1.431 27.307 28.738 0.000 0.000 0.949 769 Q HN 0.594 nan 8.270 nan 0.000 0.418 770 M N 0.894 120.533 119.600 0.065 0.000 2.151 770 M HA -0.202 4.278 4.480 -0.000 0.000 0.256 770 M C 2.105 178.489 176.300 0.139 0.000 1.072 770 M CA 1.920 57.301 55.300 0.135 0.000 1.090 770 M CB -1.634 30.857 32.600 -0.181 0.000 1.294 770 M HN 0.336 nan 8.290 nan 0.000 0.415 771 L N 0.135 121.370 121.223 0.020 0.000 2.198 771 L HA -0.266 4.074 4.340 -0.000 0.000 0.218 771 L C 2.493 179.452 176.870 0.148 0.000 1.084 771 L CA 2.018 56.877 54.840 0.031 0.000 0.779 771 L CB -0.606 41.435 42.059 -0.030 0.000 0.890 771 L HN 0.697 nan 8.230 nan 0.000 0.439 772 A N -2.149 120.781 122.820 0.183 0.000 2.192 772 A HA -0.005 4.315 4.320 -0.000 0.000 0.208 772 A C 1.693 179.432 177.584 0.259 0.000 1.220 772 A CA 0.316 52.489 52.037 0.226 0.000 0.900 772 A CB -0.147 18.991 19.000 0.231 0.000 0.937 772 A HN 0.365 nan 8.150 nan 0.000 0.487 773 N N -2.218 116.648 118.700 0.277 0.000 2.463 773 N HA 0.020 4.760 4.740 -0.000 0.000 0.181 773 N C 0.296 176.047 175.510 0.401 0.000 1.078 773 N CA 0.863 54.081 53.050 0.279 0.000 0.902 773 N CB 0.130 38.772 38.487 0.258 0.000 0.970 773 N HN 0.436 nan 8.380 nan 0.000 0.451 774 Y N -1.717 118.710 120.300 0.213 0.000 2.937 774 Y HA 0.097 4.647 4.550 -0.000 0.000 0.316 774 Y C 0.263 176.258 175.900 0.158 0.000 0.925 774 Y CA -0.510 57.704 58.100 0.190 0.000 1.110 774 Y CB -0.307 38.286 38.460 0.222 0.000 1.436 774 Y HN -0.109 nan 8.280 nan 0.000 0.573 775 N N 0.114 118.982 118.700 0.281 0.000 2.929 775 N HA -0.221 4.519 4.740 -0.000 0.000 0.234 775 N C -0.160 175.434 175.510 0.140 0.000 0.908 775 N CA 1.158 54.324 53.050 0.194 0.000 0.993 775 N CB -1.334 37.263 38.487 0.183 0.000 1.075 775 N HN 0.342 nan 8.380 nan 0.000 0.603 776 I N -0.034 120.612 120.570 0.127 0.000 2.906 776 I HA 0.246 4.416 4.170 -0.000 0.000 0.302 776 I C 1.175 177.301 176.117 0.016 0.000 1.220 776 I CA 0.782 62.078 61.300 -0.006 0.000 1.441 776 I CB -0.377 37.592 38.000 -0.051 0.000 1.336 776 I HN 0.219 nan 8.210 nan 0.000 0.565 777 G N 3.563 112.327 108.800 -0.060 0.000 2.404 777 G HA2 0.369 4.329 3.960 -0.000 0.000 0.298 777 G HA3 0.369 4.329 3.960 -0.000 0.000 0.298 777 G C -0.502 174.407 174.900 0.016 0.000 1.577 777 G CA -0.424 44.592 45.100 -0.140 0.000 0.847 777 G HN 0.746 nan 8.290 nan 0.000 0.598 778 Y N -1.507 118.791 120.300 -0.004 0.000 3.301 778 Y HA -0.428 4.122 4.550 -0.000 0.000 0.468 778 Y C 2.059 177.864 175.900 -0.159 0.000 1.042 778 Y CA 2.484 60.559 58.100 -0.042 0.000 2.777 778 Y CB -1.304 37.153 38.460 -0.005 0.000 0.812 778 Y HN 0.613 nan 8.280 nan 0.000 0.542 779 Q N 1.049 120.817 119.800 -0.053 0.000 2.194 779 Q HA 0.569 4.909 4.340 -0.000 0.000 0.214 779 Q C 0.854 176.667 176.000 -0.311 0.000 0.838 779 Q CA 0.375 56.104 55.803 -0.124 0.000 0.972 779 Q CB 1.844 30.572 28.738 -0.016 0.000 1.131 779 Q HN 0.633 nan 8.270 nan 0.000 0.498 780 G N 0.507 108.842 108.800 -0.774 0.000 2.369 780 G HA2 0.313 4.273 3.960 -0.000 0.000 0.307 780 G HA3 0.313 4.273 3.960 -0.000 0.000 0.307 780 G C -1.992 171.982 174.900 -1.544 0.000 1.327 780 G CA -1.152 43.333 45.100 -1.027 0.000 0.963 780 G HN 0.078 nan 8.290 nan 0.000 0.590 781 F N 0.404 120.102 119.950 -0.420 0.000 2.630 781 F HA 0.692 5.219 4.527 -0.000 0.000 0.325 781 F C 0.016 175.574 175.800 -0.403 0.000 1.184 781 F CA -0.933 56.753 58.000 -0.524 0.000 1.011 781 F CB 1.210 40.035 39.000 -0.292 0.000 1.268 781 F HN 0.731 nan 8.300 nan 0.000 0.480 782 Y N 0.095 120.490 120.300 0.159 0.000 3.257 782 Y HA 0.866 5.416 4.550 -0.000 0.000 0.292 782 Y C -0.652 175.339 175.900 0.153 0.000 1.790 782 Y CA -1.779 56.386 58.100 0.110 0.000 1.007 782 Y CB 1.332 39.822 38.460 0.051 0.000 1.436 782 Y HN 0.246 nan 8.280 nan 0.000 0.592 783 I N 1.688 122.494 120.570 0.393 0.000 2.649 783 I HA 0.325 4.495 4.170 -0.000 0.000 0.275 783 I C -2.864 173.386 176.117 0.223 0.000 1.180 783 I CA -1.692 59.791 61.300 0.304 0.000 1.049 783 I CB 1.377 39.497 38.000 0.201 0.000 1.234 783 I HN 0.252 nan 8.210 nan 0.000 0.506 784 P HA 0.048 nan 4.420 nan 0.000 0.269 784 P C 0.353 177.673 177.300 0.033 0.000 1.211 784 P CA 0.015 63.161 63.100 0.078 0.000 0.781 784 P CB 0.605 32.315 31.700 0.018 0.000 0.877 785 E N 0.245 120.388 120.200 -0.094 0.000 2.774 785 E HA -0.147 4.203 4.350 -0.000 0.000 0.279 785 E C 0.802 177.306 176.600 -0.160 0.000 1.421 785 E CA 1.140 57.409 56.400 -0.217 0.000 1.366 785 E CB -0.076 29.306 29.700 -0.529 0.000 0.985 785 E HN 0.414 nan 8.360 nan 0.000 0.484 786 S N -0.406 115.150 115.700 -0.240 0.000 2.727 786 S HA -0.089 4.381 4.470 -0.000 0.000 0.226 786 S C 0.635 175.255 174.600 0.034 0.000 0.963 786 S CA 0.944 59.093 58.200 -0.085 0.000 0.950 786 S CB -0.485 62.673 63.200 -0.069 0.000 0.779 786 S HN 0.565 nan 8.310 nan 0.000 0.532 787 Y N -1.869 118.461 120.300 0.051 0.000 2.617 787 Y HA 0.527 5.077 4.550 -0.000 0.000 0.280 787 Y C 0.934 176.876 175.900 0.070 0.000 1.005 787 Y CA -0.812 57.317 58.100 0.048 0.000 1.194 787 Y CB 0.194 38.667 38.460 0.022 0.000 1.405 787 Y HN 0.007 nan 8.280 nan 0.000 0.580 788 K N 1.133 121.677 120.400 0.240 0.000 2.455 788 K HA 0.224 4.544 4.320 -0.000 0.000 0.206 788 K C -1.079 175.669 176.600 0.247 0.000 1.027 788 K CA 0.252 56.641 56.287 0.170 0.000 1.113 788 K CB 0.755 33.289 32.500 0.056 0.000 0.850 788 K HN 0.316 nan 8.250 nan 0.000 0.503 789 D N 0.660 121.289 120.400 0.381 0.000 2.251 789 D HA 0.092 4.732 4.640 -0.000 0.000 0.210 789 D C -0.452 176.011 176.300 0.273 0.000 1.304 789 D CA -0.445 53.871 54.000 0.528 0.000 0.912 789 D CB 0.698 41.821 40.800 0.540 0.000 1.553 789 D HN -0.080 nan 8.370 nan 0.000 0.526 790 R N 2.620 123.245 120.500 0.208 0.000 3.412 790 R HA 0.520 4.860 4.340 -0.000 0.000 0.216 790 R C 1.503 177.863 176.300 0.100 0.000 1.677 790 R CA -0.756 55.418 56.100 0.123 0.000 0.931 790 R CB -0.733 29.616 30.300 0.081 0.000 2.019 790 R HN 0.213 nan 8.270 nan 0.000 0.537 791 M N 1.070 120.705 119.600 0.058 0.000 5.609 791 M HA -0.184 4.296 4.480 -0.000 0.000 0.342 791 M C 1.663 178.120 176.300 0.261 0.000 1.000 791 M CA 1.963 57.340 55.300 0.128 0.000 1.051 791 M CB -1.654 30.901 32.600 -0.074 0.000 1.089 791 M HN 0.378 nan 8.290 nan 0.000 0.874 792 Y N 1.341 121.622 120.300 -0.030 0.000 2.570 792 Y HA 0.109 4.659 4.550 -0.000 0.000 0.358 792 Y C 1.553 177.274 175.900 -0.298 0.000 1.185 792 Y CA -0.341 57.687 58.100 -0.120 0.000 1.299 792 Y CB -2.070 36.351 38.460 -0.064 0.000 1.219 792 Y HN 0.310 nan 8.280 nan 0.000 0.482 793 S N -0.645 114.985 115.700 -0.117 0.000 2.614 793 S HA 0.239 4.709 4.470 -0.000 0.000 0.230 793 S C 0.314 174.830 174.600 -0.140 0.000 0.952 793 S CA -0.198 57.744 58.200 -0.430 0.000 0.949 793 S CB -0.126 62.932 63.200 -0.237 0.000 0.786 793 S HN 0.513 nan 8.310 nan 0.000 0.478 794 F N -0.770 119.145 119.950 -0.057 0.000 2.511 794 F HA -0.272 4.255 4.527 -0.000 0.000 0.763 794 F C 0.762 176.606 175.800 0.074 0.000 0.485 794 F CA 0.779 58.767 58.000 -0.021 0.000 0.803 794 F CB -1.109 37.829 39.000 -0.104 0.000 1.635 794 F HN 0.337 nan 8.300 nan 0.000 0.281 795 F N 1.302 121.434 119.950 0.303 0.000 2.816 795 F HA 0.130 4.657 4.527 -0.000 0.000 0.302 795 F C 1.734 177.644 175.800 0.184 0.000 1.178 795 F CA 0.514 58.656 58.000 0.237 0.000 1.421 795 F CB -0.091 39.006 39.000 0.162 0.000 1.114 795 F HN 0.011 nan 8.300 nan 0.000 0.573 796 R N 0.951 121.658 120.500 0.346 0.000 2.335 796 R HA 0.040 4.380 4.340 -0.000 0.000 0.223 796 R C 0.767 177.208 176.300 0.235 0.000 0.940 796 R CA 0.998 57.260 56.100 0.269 0.000 1.086 796 R CB -0.642 29.785 30.300 0.212 0.000 1.073 796 R HN 0.472 nan 8.270 nan 0.000 0.504 797 N N -2.977 115.844 118.700 0.200 0.000 2.003 797 N HA -0.074 4.666 4.740 -0.000 0.000 0.271 797 N C -0.106 175.378 175.510 -0.044 0.000 1.166 797 N CA -0.342 52.781 53.050 0.121 0.000 0.760 797 N CB -0.060 38.513 38.487 0.142 0.000 1.607 797 N HN -0.021 nan 8.380 nan 0.000 0.588 798 F N 3.540 123.287 119.950 -0.338 0.000 2.450 798 F HA 0.274 4.801 4.527 -0.000 0.000 0.339 798 F C -0.273 174.950 175.800 -0.961 0.000 1.146 798 F CA 0.650 58.276 58.000 -0.623 0.000 1.267 798 F CB 0.638 39.267 39.000 -0.619 0.000 1.178 798 F HN 0.024 nan 8.300 nan 0.000 0.585 799 Q N 4.547 123.440 119.800 -1.511 0.000 2.598 799 Q HA 0.221 4.561 4.340 -0.000 0.000 0.237 799 Q C -3.027 172.488 176.000 -0.808 0.000 0.914 799 Q CA -1.667 53.673 55.803 -0.771 0.000 1.065 799 Q CB 1.489 29.998 28.738 -0.380 0.000 1.586 799 Q HN 0.260 nan 8.270 nan 0.000 0.484 800 P HA 0.260 nan 4.420 nan 0.000 0.231 800 P C -0.117 177.130 177.300 -0.089 0.000 1.257 800 P CA 0.205 63.280 63.100 -0.042 0.000 0.656 800 P CB 0.490 32.223 31.700 0.054 0.000 0.993 801 M N -3.464 116.113 119.600 -0.039 0.000 3.174 801 M HA 0.281 4.761 4.480 -0.000 0.000 0.232 801 M C -2.095 174.176 176.300 -0.049 0.000 0.766 801 M CA -0.217 55.020 55.300 -0.105 0.000 0.834 801 M CB 1.119 33.540 32.600 -0.297 0.000 1.521 801 M HN 0.386 nan 8.290 nan 0.000 0.587 802 S N 1.278 116.983 115.700 0.008 0.000 2.608 802 S HA 0.802 5.272 4.470 -0.000 0.000 0.285 802 S C -1.325 173.432 174.600 0.262 0.000 1.108 802 S CA -1.079 57.193 58.200 0.119 0.000 0.858 802 S CB 2.099 65.346 63.200 0.079 0.000 1.077 802 S HN 1.085 nan 8.310 nan 0.000 0.450 803 R N 0.462 121.162 120.500 0.334 0.000 2.909 803 R HA 0.769 5.109 4.340 -0.000 0.000 0.262 803 R C -1.912 174.473 176.300 0.141 0.000 1.095 803 R CA -0.932 55.319 56.100 0.253 0.000 0.965 803 R CB 0.920 31.381 30.300 0.269 0.000 1.300 803 R HN 0.624 nan 8.270 nan 0.000 0.442 804 Q N 1.115 120.951 119.800 0.060 0.000 2.290 804 Q HA 0.492 4.832 4.340 -0.000 0.000 0.269 804 Q C -1.800 174.202 176.000 0.003 0.000 1.016 804 Q CA -0.676 55.149 55.803 0.037 0.000 0.754 804 Q CB 2.346 31.105 28.738 0.034 0.000 1.247 804 Q HN 0.555 nan 8.270 nan 0.000 0.451 805 V N 2.413 122.333 119.914 0.010 0.000 2.876 805 V HA 0.824 4.944 4.120 -0.000 0.000 0.312 805 V C 0.217 176.323 176.094 0.021 0.000 1.085 805 V CA -0.922 61.382 62.300 0.007 0.000 0.945 805 V CB 1.099 32.912 31.823 -0.016 0.000 1.017 805 V HN 0.634 nan 8.190 nan 0.000 0.428 806 V N -0.487 119.451 119.914 0.039 0.000 3.513 806 V HA 0.707 4.827 4.120 -0.000 0.000 0.297 806 V C -0.529 175.523 176.094 -0.069 0.000 1.058 806 V CA -0.185 62.122 62.300 0.012 0.000 1.003 806 V CB 1.606 33.467 31.823 0.062 0.000 1.236 806 V HN 0.901 nan 8.190 nan 0.000 0.436 807 D N 0.423 120.763 120.400 -0.100 0.000 2.344 807 D HA 0.422 5.062 4.640 -0.000 0.000 0.239 807 D C 0.092 176.223 176.300 -0.281 0.000 1.064 807 D CA -0.252 53.649 54.000 -0.166 0.000 0.829 807 D CB 1.456 42.207 40.800 -0.082 0.000 1.129 807 D HN 0.739 nan 8.370 nan 0.000 0.506 808 D N 1.030 121.133 120.400 -0.496 0.000 2.339 808 D HA -0.068 4.572 4.640 -0.000 0.000 0.217 808 D C 1.375 177.528 176.300 -0.245 0.000 1.050 808 D CA 0.350 53.959 54.000 -0.652 0.000 0.856 808 D CB 0.107 40.374 40.800 -0.889 0.000 0.922 808 D HN 0.440 nan 8.370 nan 0.000 0.518 809 T N -1.672 112.792 114.554 -0.151 0.000 3.021 809 T HA 0.069 4.419 4.350 -0.000 0.000 0.245 809 T C 1.609 176.299 174.700 -0.016 0.000 1.028 809 T CA 0.197 62.256 62.100 -0.068 0.000 1.139 809 T CB 0.234 69.068 68.868 -0.057 0.000 0.884 809 T HN -0.201 nan 8.240 nan 0.000 0.457 810 K N 0.312 120.720 120.400 0.012 0.000 2.399 810 K HA 0.354 4.674 4.320 -0.000 0.000 0.204 810 K C -1.225 175.494 176.600 0.198 0.000 1.023 810 K CA -0.298 56.029 56.287 0.068 0.000 1.127 810 K CB 0.258 32.784 32.500 0.043 0.000 0.856 810 K HN 0.444 nan 8.250 nan 0.000 0.514 811 Y N 0.535 120.809 120.300 -0.043 0.000 2.344 811 Y HA 0.221 4.771 4.550 -0.000 0.000 0.328 811 Y C 0.207 176.104 175.900 -0.004 0.000 1.067 811 Y CA -1.467 56.623 58.100 -0.017 0.000 1.247 811 Y CB 1.174 39.627 38.460 -0.012 0.000 1.113 811 Y HN -0.291 nan 8.280 nan 0.000 0.465 812 K N 2.161 122.426 120.400 -0.224 0.000 2.589 812 K HA 0.102 4.422 4.320 -0.000 0.000 0.204 812 K C -0.456 175.999 176.600 -0.242 0.000 1.029 812 K CA 0.331 56.519 56.287 -0.165 0.000 1.177 812 K CB -0.306 32.125 32.500 -0.115 0.000 0.902 812 K HN 0.567 nan 8.250 nan 0.000 0.501 813 D N 0.026 120.156 120.400 -0.450 0.000 3.088 813 D HA 0.112 4.752 4.640 -0.000 0.000 0.310 813 D C -0.850 175.363 176.300 -0.145 0.000 1.351 813 D CA -0.193 53.628 54.000 -0.297 0.000 0.921 813 D CB 0.083 40.590 40.800 -0.489 0.000 1.045 813 D HN 0.078 nan 8.370 nan 0.000 0.504 814 Y N 0.092 120.204 120.300 -0.314 0.000 3.068 814 Y HA 0.644 5.194 4.550 -0.000 0.000 0.302 814 Y C -1.571 174.214 175.900 -0.193 0.000 1.610 814 Y CA -0.585 57.241 58.100 -0.456 0.000 1.078 814 Y CB 1.469 39.779 38.460 -0.250 0.000 1.418 814 Y HN -0.275 nan 8.280 nan 0.000 0.525 815 Q N 2.013 121.635 119.800 -0.296 0.000 3.041 815 Q HA 0.124 4.464 4.340 -0.000 0.000 0.198 815 Q C -1.845 174.142 176.000 -0.022 0.000 0.905 815 Q CA -0.481 55.301 55.803 -0.035 0.000 1.255 815 Q CB 1.106 29.844 28.738 -0.001 0.000 1.668 815 Q HN 0.660 nan 8.270 nan 0.000 0.609 816 Q N 2.241 122.126 119.800 0.141 0.000 2.239 816 Q HA 0.414 4.754 4.340 -0.000 0.000 0.286 816 Q C -0.672 175.353 176.000 0.042 0.000 1.102 816 Q CA 0.630 56.510 55.803 0.129 0.000 0.936 816 Q CB 0.344 29.155 28.738 0.122 0.000 1.127 816 Q HN 0.459 nan 8.270 nan 0.000 0.380 817 V N 2.463 122.374 119.914 -0.006 0.000 5.434 817 V HA 0.703 4.823 4.120 -0.000 0.000 0.314 817 V C 0.448 176.493 176.094 -0.080 0.000 1.666 817 V CA -0.173 62.101 62.300 -0.044 0.000 0.768 817 V CB 0.564 32.325 31.823 -0.103 0.000 1.288 817 V HN 0.701 nan 8.190 nan 0.000 0.436 818 G N -1.320 107.383 108.800 -0.162 0.000 2.789 818 G HA2 0.462 4.422 3.960 -0.000 0.000 0.164 818 G HA3 0.462 4.422 3.960 -0.000 0.000 0.164 818 G C 0.118 174.855 174.900 -0.273 0.000 1.279 818 G CA 1.200 46.200 45.100 -0.166 0.000 0.741 818 G HN 0.537 nan 8.290 nan 0.000 0.685 819 I N -1.555 118.834 120.570 -0.302 0.000 4.342 819 I HA 0.212 4.382 4.170 -0.000 0.000 0.284 819 I C 1.567 177.496 176.117 -0.314 0.000 1.092 819 I CA 0.044 61.133 61.300 -0.352 0.000 1.372 819 I CB -0.265 37.593 38.000 -0.236 0.000 1.929 819 I HN 0.070 nan 8.210 nan 0.000 0.448 820 L N 1.484 122.527 121.223 -0.299 0.000 2.386 820 L HA -0.308 4.032 4.340 -0.000 0.000 0.221 820 L C 0.417 177.042 176.870 -0.409 0.000 1.094 820 L CA 2.104 56.719 54.840 -0.376 0.000 0.825 820 L CB -1.411 40.376 42.059 -0.454 0.000 0.895 820 L HN 0.365 nan 8.230 nan 0.000 0.449 821 H N -0.557 118.445 119.070 -0.113 0.000 2.702 821 H HA 0.417 4.973 4.556 -0.000 0.000 0.252 821 H C 0.146 175.406 175.328 -0.114 0.000 1.493 821 H CA -0.432 55.577 56.048 -0.065 0.000 1.273 821 H CB 0.037 29.770 29.762 -0.050 0.000 1.537 821 H HN 0.391 nan 8.280 nan 0.000 0.547 822 Q N 1.423 121.200 119.800 -0.040 0.000 2.943 822 Q HA 0.522 4.862 4.340 -0.000 0.000 0.341 822 Q C -0.774 175.136 176.000 -0.150 0.000 0.858 822 Q CA -1.215 54.484 55.803 -0.173 0.000 0.804 822 Q CB 2.818 31.485 28.738 -0.118 0.000 1.399 822 Q HN 0.648 nan 8.270 nan 0.000 0.511 823 H N -2.331 116.728 119.070 -0.018 0.000 2.838 823 H HA 0.407 4.963 4.556 -0.000 0.000 0.269 823 H C -0.953 174.389 175.328 0.025 0.000 1.463 823 H CA -0.099 55.939 56.048 -0.017 0.000 1.141 823 H CB 1.160 30.853 29.762 -0.114 0.000 1.821 823 H HN 0.990 nan 8.280 nan 0.000 0.544 824 N N -1.001 117.900 118.700 0.334 0.000 2.539 824 N HA -0.127 4.613 4.740 -0.000 0.000 0.299 824 N C -0.287 175.368 175.510 0.242 0.000 0.738 824 N CA 0.087 53.303 53.050 0.276 0.000 1.184 824 N CB -0.286 38.347 38.487 0.243 0.000 2.133 824 N HN 0.403 nan 8.380 nan 0.000 1.458 825 N N 0.849 119.684 118.700 0.224 0.000 2.387 825 N HA 0.070 4.810 4.740 -0.000 0.000 0.176 825 N C -0.524 174.746 175.510 -0.400 0.000 1.022 825 N CA 1.049 54.259 53.050 0.267 0.000 0.883 825 N CB 0.152 38.938 38.487 0.498 0.000 1.019 825 N HN 0.266 nan 8.380 nan 0.000 0.435 826 S N 0.334 115.922 115.700 -0.186 0.000 3.349 826 S HA -0.131 4.339 4.470 -0.000 0.000 0.214 826 S C 1.055 175.414 174.600 -0.402 0.000 0.578 826 S CA 0.601 58.679 58.200 -0.204 0.000 1.380 826 S CB -1.264 61.927 63.200 -0.016 0.000 0.888 826 S HN 0.705 nan 8.310 nan 0.000 0.349 827 G N -0.029 108.428 108.800 -0.571 0.000 3.990 827 G HA2 0.189 4.149 3.960 -0.000 0.000 0.213 827 G HA3 0.189 4.149 3.960 -0.000 0.000 0.213 827 G C 0.096 174.792 174.900 -0.340 0.000 0.849 827 G CA -0.070 44.739 45.100 -0.485 0.000 0.857 827 G HN 0.682 nan 8.290 nan 0.000 0.484 828 F N 0.772 120.742 119.950 0.033 0.000 2.775 828 F HA 0.775 5.302 4.527 -0.000 0.000 0.313 828 F C -0.200 175.615 175.800 0.024 0.000 1.121 828 F CA -0.956 57.056 58.000 0.020 0.000 1.206 828 F CB 0.984 39.991 39.000 0.011 0.000 1.052 828 F HN -0.025 nan 8.300 nan 0.000 0.524 829 V N 0.680 120.621 119.914 0.044 0.000 2.655 829 V HA 0.634 4.754 4.120 -0.000 0.000 0.301 829 V C 0.755 176.866 176.094 0.028 0.000 1.082 829 V CA -0.975 61.361 62.300 0.061 0.000 0.899 829 V CB 1.288 33.158 31.823 0.079 0.000 1.014 829 V HN 0.398 nan 8.190 nan 0.000 0.429 830 G N 2.707 111.530 108.800 0.039 0.000 2.224 830 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.357 830 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.357 830 G C -0.656 174.306 174.900 0.104 0.000 1.436 830 G CA 0.533 45.663 45.100 0.050 0.000 1.070 830 G HN 0.781 nan 8.290 nan 0.000 0.556 831 Y N -0.700 119.578 120.300 -0.037 0.000 2.555 831 Y HA 0.481 5.031 4.550 -0.000 0.000 0.326 831 Y C 0.332 176.210 175.900 -0.036 0.000 0.984 831 Y CA -1.351 56.729 58.100 -0.033 0.000 1.298 831 Y CB 0.405 38.843 38.460 -0.037 0.000 1.094 831 Y HN 0.415 nan 8.280 nan 0.000 0.500 832 L N 3.699 124.685 121.223 -0.396 0.000 3.833 832 L HA -0.187 4.153 4.340 -0.000 0.000 0.447 832 L C -0.545 176.194 176.870 -0.219 0.000 1.213 832 L CA 1.711 56.322 54.840 -0.382 0.000 0.801 832 L CB -1.161 40.516 42.059 -0.637 0.000 1.676 832 L HN 0.807 nan 8.230 nan 0.000 0.883 833 A N -0.558 122.194 122.820 -0.112 0.000 2.590 833 A HA 0.752 5.072 4.320 -0.000 0.000 0.294 833 A C -2.661 174.912 177.584 -0.018 0.000 1.046 833 A CA -0.793 51.206 52.037 -0.063 0.000 0.684 833 A CB 1.006 19.945 19.000 -0.101 0.000 1.279 833 A HN -0.077 nan 8.150 nan 0.000 0.415 834 P HA 0.159 nan 4.420 nan 0.000 0.243 834 P C 0.905 178.189 177.300 -0.027 0.000 1.668 834 P CA 0.434 63.542 63.100 0.013 0.000 0.898 834 P CB -0.333 31.372 31.700 0.007 0.000 1.637 835 T N -1.376 113.157 114.554 -0.035 0.000 3.407 835 T HA 0.076 4.426 4.350 -0.000 0.000 0.204 835 T C 1.303 175.996 174.700 -0.011 0.000 0.879 835 T CA 0.777 62.853 62.100 -0.041 0.000 2.438 835 T CB -0.277 68.564 68.868 -0.044 0.000 1.594 835 T HN 0.051 nan 8.240 nan 0.000 0.353 836 M N 0.193 119.798 119.600 0.007 0.000 2.233 836 M HA 0.439 4.919 4.480 -0.000 0.000 0.297 836 M C 1.463 177.781 176.300 0.029 0.000 2.148 836 M CA -0.619 54.690 55.300 0.015 0.000 1.729 836 M CB 0.466 33.074 32.600 0.013 0.000 1.997 836 M HN 0.155 nan 8.290 nan 0.000 0.904 837 R N 0.558 121.072 120.500 0.025 0.000 2.373 837 R HA 0.398 4.738 4.340 -0.000 0.000 0.221 837 R C -0.494 175.796 176.300 -0.018 0.000 0.893 837 R CA -0.328 55.784 56.100 0.020 0.000 1.049 837 R CB -0.405 29.918 30.300 0.038 0.000 1.119 837 R HN 0.426 nan 8.270 nan 0.000 0.535 838 E N 1.873 122.072 120.200 -0.002 0.000 3.112 838 E HA -0.137 4.213 4.350 -0.000 0.000 0.342 838 E C 0.629 177.208 176.600 -0.034 0.000 0.709 838 E CA 1.434 57.830 56.400 -0.007 0.000 1.194 838 E CB -0.174 29.538 29.700 0.019 0.000 0.768 838 E HN 0.593 nan 8.360 nan 0.000 0.475 839 G N 2.727 111.506 108.800 -0.036 0.000 2.513 839 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.227 839 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.227 839 G C 0.078 174.946 174.900 -0.054 0.000 1.176 839 G CA 0.300 45.373 45.100 -0.045 0.000 0.967 839 G HN 0.609 nan 8.290 nan 0.000 0.587 840 Q N -0.972 118.788 119.800 -0.067 0.000 2.623 840 Q HA 0.758 5.098 4.340 -0.000 0.000 0.204 840 Q C 0.554 176.477 176.000 -0.129 0.000 0.942 840 Q CA 0.191 55.951 55.803 -0.072 0.000 0.459 840 Q CB 0.692 29.403 28.738 -0.045 0.000 4.000 840 Q HN 2.118 nan 8.270 nan 0.000 0.282 841 A N -0.671 122.083 122.820 -0.110 0.000 2.588 841 A HA 0.783 5.103 4.320 -0.000 0.000 0.290 841 A C -2.102 175.427 177.584 -0.092 0.000 1.136 841 A CA -0.490 51.466 52.037 -0.134 0.000 0.681 841 A CB 1.751 20.703 19.000 -0.081 0.000 1.282 841 A HN 0.539 nan 8.150 nan 0.000 0.421 842 Y N -0.419 119.774 120.300 -0.178 0.000 2.267 842 Y HA 0.242 4.792 4.550 -0.000 0.000 0.323 842 Y C -2.326 173.488 175.900 -0.144 0.000 1.398 842 Y CA -0.648 57.286 58.100 -0.277 0.000 1.410 842 Y CB 1.536 39.586 38.460 -0.685 0.000 1.276 842 Y HN 0.591 nan 8.280 nan 0.000 0.437 843 P HA -0.013 nan 4.420 nan 0.000 0.202 843 P C -0.365 177.104 177.300 0.281 0.000 1.149 843 P CA 1.962 65.172 63.100 0.183 0.000 0.931 843 P CB 0.423 32.200 31.700 0.128 0.000 0.762 844 A N -2.585 120.453 122.820 0.364 0.000 2.597 844 A HA 0.382 4.702 4.320 -0.000 0.000 0.292 844 A C 0.174 177.896 177.584 0.230 0.000 1.057 844 A CA -0.533 51.707 52.037 0.338 0.000 0.674 844 A CB 0.179 19.248 19.000 0.115 0.000 1.278 844 A HN 0.116 nan 8.150 nan 0.000 0.416 845 N N -0.356 118.278 118.700 -0.110 0.000 2.400 845 N HA 0.363 5.103 4.740 -0.000 0.000 0.228 845 N C -0.327 175.070 175.510 -0.188 0.000 1.023 845 N CA 0.287 53.150 53.050 -0.312 0.000 1.150 845 N CB 0.145 38.336 38.487 -0.493 0.000 1.452 845 N HN 0.544 nan 8.380 nan 0.000 0.605 846 F N 1.258 121.083 119.950 -0.207 0.000 2.403 846 F HA 0.436 4.963 4.527 -0.000 0.000 0.326 846 F C -1.671 174.020 175.800 -0.181 0.000 1.081 846 F CA -1.664 56.258 58.000 -0.129 0.000 1.041 846 F CB 1.062 40.002 39.000 -0.100 0.000 1.234 846 F HN 0.234 nan 8.300 nan 0.000 0.503 847 P HA 0.249 nan 4.420 nan 0.000 0.284 847 P C -1.733 175.553 177.300 -0.022 0.000 1.292 847 P CA -0.583 62.563 63.100 0.077 0.000 0.800 847 P CB 0.616 32.349 31.700 0.055 0.000 1.188 848 Y N 0.045 120.284 120.300 -0.103 0.000 2.323 848 Y HA 0.377 4.927 4.550 -0.000 0.000 0.331 848 Y C -1.562 174.320 175.900 -0.030 0.000 1.092 848 Y CA -1.583 56.466 58.100 -0.085 0.000 1.150 848 Y CB 0.811 39.244 38.460 -0.045 0.000 1.200 848 Y HN 0.263 nan 8.280 nan 0.000 0.472 849 P HA 0.236 nan 4.420 nan 0.000 0.288 849 P C -0.661 176.668 177.300 0.048 0.000 1.267 849 P CA -0.412 62.711 63.100 0.039 0.000 0.815 849 P CB 1.936 33.633 31.700 -0.005 0.000 0.989 850 L N 1.521 122.761 121.223 0.028 0.000 2.467 850 L HA 0.232 4.572 4.340 -0.000 0.000 0.213 850 L C 1.200 178.070 176.870 -0.001 0.000 1.053 850 L CA 0.464 55.307 54.840 0.006 0.000 0.847 850 L CB -0.969 41.093 42.059 0.006 0.000 1.075 850 L HN 0.298 nan 8.230 nan 0.000 0.479 851 I N -0.422 120.151 120.570 0.005 0.000 3.060 851 I HA 0.412 4.582 4.170 -0.000 0.000 0.285 851 I C 1.552 177.669 176.117 -0.000 0.000 1.190 851 I CA 0.364 61.666 61.300 0.003 0.000 1.363 851 I CB -0.459 37.545 38.000 0.006 0.000 1.396 851 I HN 0.298 nan 8.210 nan 0.000 0.607 852 G N 2.962 111.762 108.800 0.000 0.000 2.972 852 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.265 852 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.265 852 G C 0.365 175.264 174.900 -0.002 0.000 1.506 852 G CA 0.119 45.219 45.100 -0.001 0.000 1.016 852 G HN 0.626 nan 8.290 nan 0.000 0.563 853 K N 0.585 120.984 120.400 -0.003 0.000 2.788 853 K HA 0.294 4.614 4.320 -0.000 0.000 0.190 853 K C 1.279 177.875 176.600 -0.007 0.000 1.143 853 K CA 0.647 56.931 56.287 -0.005 0.000 1.099 853 K CB 0.918 33.417 32.500 -0.002 0.000 0.767 853 K HN 0.430 nan 8.250 nan 0.000 0.466 854 T N 1.098 115.647 114.554 -0.008 0.000 2.612 854 T HA -0.010 4.340 4.350 -0.000 0.000 0.251 854 T C 0.684 175.363 174.700 -0.035 0.000 1.090 854 T CA 1.468 63.563 62.100 -0.009 0.000 1.198 854 T CB -0.158 68.709 68.868 -0.001 0.000 0.878 854 T HN 0.442 nan 8.240 nan 0.000 0.401 855 A N 0.514 123.302 122.820 -0.053 0.000 2.919 855 A HA -0.040 4.280 4.320 -0.000 0.000 0.280 855 A C 0.442 177.890 177.584 -0.227 0.000 1.379 855 A CA 0.206 52.178 52.037 -0.109 0.000 0.729 855 A CB -2.211 16.728 19.000 -0.102 0.000 1.084 855 A HN 1.074 nan 8.150 nan 0.000 0.420 856 V N -0.683 119.127 119.914 -0.173 0.000 1.984 856 V HA 0.389 4.509 4.120 -0.000 0.000 0.272 856 V C 0.392 176.298 176.094 -0.314 0.000 1.706 856 V CA 0.148 62.288 62.300 -0.267 0.000 1.644 856 V CB -0.892 30.960 31.823 0.048 0.000 1.509 856 V HN 0.651 nan 8.190 nan 0.000 0.511 857 D N 2.581 122.707 120.400 -0.456 0.000 5.309 857 D HA -0.145 4.495 4.640 -0.000 0.000 0.182 857 D C 0.865 177.082 176.300 -0.139 0.000 1.247 857 D CA 1.478 55.313 54.000 -0.274 0.000 0.736 857 D CB -0.379 40.242 40.800 -0.299 0.000 1.212 857 D HN 0.981 nan 8.370 nan 0.000 0.637 858 S N 0.991 116.637 115.700 -0.089 0.000 2.690 858 S HA 0.721 5.191 4.470 -0.000 0.000 0.291 858 S C -0.089 174.495 174.600 -0.028 0.000 1.138 858 S CA -0.960 57.214 58.200 -0.044 0.000 1.013 858 S CB 1.895 65.084 63.200 -0.019 0.000 1.053 858 S HN 0.325 nan 8.310 nan 0.000 0.539 859 I N 0.733 121.294 120.570 -0.015 0.000 3.174 859 I HA 0.477 4.647 4.170 -0.000 0.000 0.313 859 I C -0.571 175.556 176.117 0.016 0.000 1.155 859 I CA -0.696 60.603 61.300 -0.002 0.000 0.977 859 I CB 2.585 40.581 38.000 -0.006 0.000 1.248 859 I HN 0.945 nan 8.210 nan 0.000 0.453 860 T N 1.914 116.486 114.554 0.030 0.000 2.949 860 T HA 0.602 4.952 4.350 -0.000 0.000 0.287 860 T C -0.828 173.914 174.700 0.070 0.000 1.034 860 T CA -0.716 61.416 62.100 0.054 0.000 1.018 860 T CB 2.256 71.159 68.868 0.059 0.000 1.135 860 T HN 0.586 nan 8.240 nan 0.000 0.532 861 Q N 0.039 119.903 119.800 0.107 0.000 2.545 861 Q HA 0.386 4.726 4.340 -0.000 0.000 0.273 861 Q C -1.828 174.292 176.000 0.200 0.000 0.975 861 Q CA -0.781 55.100 55.803 0.130 0.000 0.876 861 Q CB 1.573 30.386 28.738 0.124 0.000 1.472 861 Q HN 0.840 nan 8.270 nan 0.000 0.389 862 K N 1.345 121.843 120.400 0.163 0.000 2.128 862 K HA 0.656 4.976 4.320 -0.000 0.000 0.254 862 K C -0.826 175.750 176.600 -0.039 0.000 0.872 862 K CA -0.803 55.553 56.287 0.116 0.000 0.733 862 K CB 1.436 33.997 32.500 0.101 0.000 1.521 862 K HN 0.564 nan 8.250 nan 0.000 0.406 863 K N -0.958 119.339 120.400 -0.171 0.000 1.791 863 K HA 0.543 4.863 4.320 -0.000 0.000 0.260 863 K C -1.334 175.353 176.600 0.145 0.000 0.699 863 K CA -0.398 55.815 56.287 -0.123 0.000 0.474 863 K CB 1.341 33.487 32.500 -0.591 0.000 2.095 863 K HN 0.627 nan 8.250 nan 0.000 0.693 864 F N -1.552 118.182 119.950 -0.359 0.000 4.027 864 F HA 0.631 5.158 4.527 -0.000 0.000 0.316 864 F C -1.918 173.654 175.800 -0.379 0.000 0.943 864 F CA -1.356 56.448 58.000 -0.328 0.000 0.790 864 F CB 0.333 39.221 39.000 -0.186 0.000 1.770 864 F HN 0.273 nan 8.300 nan 0.000 0.458 865 L N 0.538 121.517 121.223 -0.407 0.000 5.087 865 L HA 0.334 4.674 4.340 -0.000 0.000 0.218 865 L C -1.321 175.118 176.870 -0.719 0.000 1.056 865 L CA -0.203 54.320 54.840 -0.528 0.000 0.830 865 L CB 0.136 41.937 42.059 -0.430 0.000 1.316 865 L HN 1.701 nan 8.230 nan 0.000 0.240 866 C N 1.579 120.639 119.300 -0.401 0.000 3.089 866 C HA 0.388 4.848 4.460 -0.000 0.000 0.383 866 C C 0.907 176.016 174.990 0.198 0.000 1.087 866 C CA -0.137 58.761 59.018 -0.200 0.000 1.319 866 C CB -0.316 27.188 27.740 -0.393 0.000 1.684 866 C HN 0.874 nan 8.230 nan 0.000 0.490 867 D N 2.752 123.377 120.400 0.376 0.000 2.103 867 D HA -0.091 4.549 4.640 -0.000 0.000 0.199 867 D C 2.029 178.605 176.300 0.460 0.000 0.978 867 D CA 1.052 55.432 54.000 0.634 0.000 0.829 867 D CB 0.006 41.067 40.800 0.435 0.000 0.981 867 D HN 0.733 nan 8.370 nan 0.000 0.464 868 R N 0.437 121.044 120.500 0.179 0.000 2.248 868 R HA -0.187 4.153 4.340 -0.000 0.000 0.236 868 R C 1.843 177.781 176.300 -0.603 0.000 1.111 868 R CA 1.805 57.763 56.100 -0.238 0.000 0.894 868 R CB -1.216 29.023 30.300 -0.102 0.000 0.905 868 R HN 0.183 nan 8.270 nan 0.000 0.426 869 T N 0.011 114.389 114.554 -0.294 0.000 2.914 869 T HA 0.075 4.425 4.350 -0.000 0.000 0.412 869 T C 0.696 175.366 174.700 -0.051 0.000 1.085 869 T CA 0.059 62.019 62.100 -0.233 0.000 1.115 869 T CB 0.098 68.756 68.868 -0.350 0.000 1.248 869 T HN 0.085 nan 8.240 nan 0.000 0.513 870 L N -0.924 120.199 121.223 -0.166 0.000 2.299 870 L HA 0.460 4.800 4.340 -0.000 0.000 0.268 870 L C 0.080 177.045 176.870 0.159 0.000 1.012 870 L CA -0.793 54.089 54.840 0.070 0.000 0.816 870 L CB 1.456 43.589 42.059 0.123 0.000 1.355 870 L HN 0.734 nan 8.230 nan 0.000 0.457 871 W N 0.880 122.077 121.300 -0.172 0.000 2.075 871 W HA 0.239 4.899 4.660 -0.000 0.000 0.332 871 W C 0.502 177.311 176.519 0.484 0.000 0.905 871 W CA -0.663 56.789 57.345 0.180 0.000 2.126 871 W CB 0.971 30.470 29.460 0.066 0.000 1.143 871 W HN 0.547 nan 8.180 nan 0.000 0.542 872 R N 1.803 122.577 120.500 0.455 0.000 2.709 872 R HA -0.047 4.293 4.340 -0.000 0.000 0.272 872 R C -0.341 176.160 176.300 0.334 0.000 0.977 872 R CA 1.396 57.711 56.100 0.358 0.000 1.105 872 R CB 0.135 30.587 30.300 0.253 0.000 0.956 872 R HN 0.207 nan 8.270 nan 0.000 0.437 873 I N 3.296 124.046 120.570 0.299 0.000 2.686 873 I HA 0.215 4.385 4.170 -0.000 0.000 0.280 873 I C -2.449 173.906 176.117 0.396 0.000 1.322 873 I CA -1.825 59.674 61.300 0.333 0.000 1.107 873 I CB 2.040 40.236 38.000 0.327 0.000 1.366 873 I HN 0.624 nan 8.210 nan 0.000 0.443 874 P HA 0.369 nan 4.420 nan 0.000 0.317 874 P C -0.014 177.531 177.300 0.408 0.000 1.307 874 P CA -0.041 63.258 63.100 0.332 0.000 0.749 874 P CB 1.311 33.202 31.700 0.318 0.000 1.377 875 F N -1.468 118.503 119.950 0.035 0.000 2.834 875 F HA 0.222 4.749 4.527 -0.000 0.000 0.332 875 F C 0.612 176.302 175.800 -0.184 0.000 1.056 875 F CA 0.105 58.017 58.000 -0.146 0.000 1.178 875 F CB 0.296 38.986 39.000 -0.517 0.000 1.037 875 F HN 0.053 nan 8.300 nan 0.000 0.580 876 S N 0.291 116.017 115.700 0.044 0.000 2.639 876 S HA -0.156 4.314 4.470 -0.000 0.000 0.252 876 S C 1.306 175.449 174.600 -0.762 0.000 1.413 876 S CA 0.541 58.642 58.200 -0.165 0.000 0.974 876 S CB 0.536 63.721 63.200 -0.025 0.000 0.899 876 S HN 0.336 nan 8.310 nan 0.000 0.562 877 S N 1.035 116.468 115.700 -0.445 0.000 2.439 877 S HA -0.045 4.425 4.470 -0.000 0.000 0.224 877 S C 1.616 176.023 174.600 -0.321 0.000 1.029 877 S CA 0.606 58.537 58.200 -0.449 0.000 0.946 877 S CB -0.454 62.668 63.200 -0.130 0.000 0.797 877 S HN 0.746 nan 8.310 nan 0.000 0.504 878 N N 0.373 118.987 118.700 -0.143 0.000 2.422 878 N HA 0.052 4.792 4.740 -0.000 0.000 0.181 878 N C 0.005 175.635 175.510 0.200 0.000 1.080 878 N CA 0.191 53.279 53.050 0.062 0.000 0.893 878 N CB -0.744 37.791 38.487 0.080 0.000 0.973 878 N HN 0.286 nan 8.380 nan 0.000 0.456 879 F N -1.021 119.014 119.950 0.142 0.000 3.034 879 F HA -0.238 4.289 4.527 -0.000 0.000 0.286 879 F C 0.767 176.666 175.800 0.166 0.000 0.804 879 F CA 0.402 58.495 58.000 0.155 0.000 1.161 879 F CB -2.061 37.016 39.000 0.128 0.000 1.317 879 F HN 0.104 nan 8.300 nan 0.000 0.453 880 M N -1.403 118.350 119.600 0.255 0.000 2.474 880 M HA 0.420 4.900 4.480 -0.000 0.000 0.238 880 M C 0.633 177.056 176.300 0.206 0.000 1.111 880 M CA -0.315 55.130 55.300 0.243 0.000 1.025 880 M CB 1.246 33.988 32.600 0.237 0.000 1.348 880 M HN -0.097 nan 8.290 nan 0.000 0.579 881 S N 1.047 116.861 115.700 0.190 0.000 2.423 881 S HA 0.386 4.856 4.470 -0.000 0.000 0.317 881 S C 0.091 174.776 174.600 0.143 0.000 1.065 881 S CA -0.371 57.935 58.200 0.175 0.000 1.111 881 S CB 0.352 63.667 63.200 0.192 0.000 0.968 881 S HN 0.555 nan 8.310 nan 0.000 0.474 882 M N 3.518 123.196 119.600 0.129 0.000 2.551 882 M HA 0.210 4.690 4.480 -0.000 0.000 0.252 882 M C 1.080 177.441 176.300 0.102 0.000 1.219 882 M CA 0.069 55.432 55.300 0.105 0.000 0.978 882 M CB -0.577 32.079 32.600 0.094 0.000 1.533 882 M HN 0.971 nan 8.290 nan 0.000 0.474 883 G N 0.404 109.270 108.800 0.110 0.000 2.846 883 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.225 883 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.225 883 G C 0.264 175.230 174.900 0.111 0.000 1.285 883 G CA -0.008 45.150 45.100 0.098 0.000 1.055 883 G HN 0.414 nan 8.290 nan 0.000 0.579 884 A N -0.281 122.611 122.820 0.120 0.000 1.935 884 A HA 0.601 4.921 4.320 -0.000 0.000 0.211 884 A C 1.304 179.060 177.584 0.287 0.000 1.388 884 A CA 1.976 54.116 52.037 0.172 0.000 0.600 884 A CB -0.719 18.393 19.000 0.186 0.000 1.011 884 A HN 1.841 nan 8.150 nan 0.000 0.481 885 L N 2.556 123.949 121.223 0.282 0.000 2.342 885 L HA 0.288 4.628 4.340 -0.000 0.000 0.285 885 L C 0.253 177.238 176.870 0.190 0.000 1.095 885 L CA 0.243 55.233 54.840 0.249 0.000 0.843 885 L CB -0.451 41.641 42.059 0.055 0.000 1.201 885 L HN 0.465 nan 8.230 nan 0.000 0.445 886 T N 2.031 116.711 114.554 0.209 0.000 2.751 886 T HA 0.070 4.420 4.350 -0.000 0.000 0.279 886 T C 0.741 175.594 174.700 0.255 0.000 0.941 886 T CA -0.343 61.883 62.100 0.210 0.000 1.192 886 T CB -0.260 68.756 68.868 0.246 0.000 0.883 886 T HN 0.724 nan 8.240 nan 0.000 0.534 887 D N 1.977 122.481 120.400 0.173 0.000 3.491 887 D HA -0.317 4.323 4.640 -0.000 0.000 0.183 887 D C 1.755 178.225 176.300 0.284 0.000 1.374 887 D CA 1.457 55.556 54.000 0.165 0.000 0.879 887 D CB -0.256 40.595 40.800 0.085 0.000 0.542 887 D HN 0.738 nan 8.370 nan 0.000 0.557 888 L N -1.306 120.080 121.223 0.272 0.000 3.356 888 L HA -0.424 3.916 4.340 -0.000 0.000 0.188 888 L C 2.361 179.672 176.870 0.735 0.000 4.317 888 L CA 2.335 57.450 54.840 0.458 0.000 0.554 888 L CB -1.913 40.151 42.059 0.008 0.000 3.420 888 L HN 0.730 nan 8.230 nan 0.000 0.457 889 G N -0.167 109.127 108.800 0.823 0.000 3.215 889 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.224 889 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.224 889 G C 1.061 176.131 174.900 0.282 0.000 1.063 889 G CA 1.502 46.880 45.100 0.463 0.000 0.687 889 G HN 0.792 nan 8.290 nan 0.000 0.663 890 Q N -0.601 119.352 119.800 0.255 0.000 2.135 890 Q HA 0.193 4.533 4.340 -0.000 0.000 0.222 890 Q C 0.201 176.212 176.000 0.018 0.000 0.808 890 Q CA -0.545 55.312 55.803 0.090 0.000 1.049 890 Q CB 0.100 28.863 28.738 0.042 0.000 1.168 890 Q HN 0.331 nan 8.270 nan 0.000 0.483 891 N N 0.969 119.641 118.700 -0.046 0.000 2.434 891 N HA 0.180 4.920 4.740 -0.000 0.000 0.266 891 N C 0.184 175.418 175.510 -0.459 0.000 1.223 891 N CA -0.322 52.528 53.050 -0.334 0.000 0.972 891 N CB 1.116 39.249 38.487 -0.590 0.000 1.207 891 N HN 0.144 nan 8.380 nan 0.000 0.525 892 L N 1.918 122.935 121.223 -0.345 0.000 2.713 892 L HA 0.110 4.450 4.340 -0.000 0.000 0.245 892 L C 1.130 177.882 176.870 -0.197 0.000 1.169 892 L CA 0.482 55.190 54.840 -0.220 0.000 0.962 892 L CB -0.286 41.702 42.059 -0.118 0.000 1.161 892 L HN 0.466 nan 8.230 nan 0.000 0.427 893 L N -3.018 117.983 121.223 -0.371 0.000 2.878 893 L HA 0.152 4.492 4.340 -0.000 0.000 0.253 893 L C 0.703 177.701 176.870 0.214 0.000 1.135 893 L CA 0.046 54.881 54.840 -0.008 0.000 0.943 893 L CB -0.040 42.134 42.059 0.191 0.000 1.307 893 L HN 0.215 nan 8.230 nan 0.000 0.545 894 Y N -0.040 120.344 120.300 0.141 0.000 2.660 894 Y HA 0.709 5.259 4.550 -0.000 0.000 0.254 894 Y C 0.724 176.675 175.900 0.085 0.000 1.176 894 Y CA -0.532 57.682 58.100 0.190 0.000 1.195 894 Y CB 0.581 39.212 38.460 0.284 0.000 1.190 894 Y HN 0.039 nan 8.280 nan 0.000 0.535 895 A N 1.260 124.101 122.820 0.036 0.000 3.399 895 A HA 0.416 4.736 4.320 -0.000 0.000 0.262 895 A C -0.166 177.383 177.584 -0.058 0.000 1.145 895 A CA -0.127 51.890 52.037 -0.033 0.000 0.916 895 A CB -0.172 18.800 19.000 -0.045 0.000 1.360 895 A HN 0.427 nan 8.150 nan 0.000 0.628 896 N N -0.834 117.831 118.700 -0.058 0.000 2.503 896 N HA -0.141 4.599 4.740 -0.000 0.000 0.357 896 N C 0.269 175.760 175.510 -0.031 0.000 1.503 896 N CA 0.447 53.466 53.050 -0.052 0.000 3.039 896 N CB -0.699 37.763 38.487 -0.042 0.000 1.478 896 N HN 0.634 nan 8.380 nan 0.000 1.312 897 S N 0.689 116.397 115.700 0.013 0.000 2.599 897 S HA 0.391 4.861 4.470 -0.000 0.000 0.303 897 S C -0.327 174.329 174.600 0.092 0.000 1.267 897 S CA 0.804 59.050 58.200 0.077 0.000 1.055 897 S CB -0.160 63.120 63.200 0.134 0.000 0.790 897 S HN 0.628 nan 8.310 nan 0.000 0.500 898 A N 5.283 128.171 122.820 0.114 0.000 2.437 898 A HA 0.673 4.993 4.320 -0.000 0.000 0.293 898 A C -0.832 176.883 177.584 0.219 0.000 1.038 898 A CA -0.880 51.183 52.037 0.044 0.000 0.708 898 A CB 0.977 19.870 19.000 -0.179 0.000 1.251 898 A HN 0.939 nan 8.150 nan 0.000 0.409 899 H N 0.922 120.109 119.070 0.196 0.000 2.693 899 H HA 0.850 5.406 4.556 -0.000 0.000 0.348 899 H C 0.430 175.865 175.328 0.179 0.000 1.222 899 H CA -0.476 55.594 56.048 0.038 0.000 1.270 899 H CB 1.026 30.653 29.762 -0.225 0.000 1.798 899 H HN 0.796 nan 8.280 nan 0.000 0.592 900 A N 0.528 123.446 122.820 0.163 0.000 2.259 900 A HA 0.473 4.793 4.320 -0.000 0.000 0.278 900 A C -0.609 177.123 177.584 0.246 0.000 1.107 900 A CA -0.416 51.773 52.037 0.254 0.000 0.828 900 A CB 0.316 19.407 19.000 0.152 0.000 1.111 900 A HN 0.458 nan 8.150 nan 0.000 0.498 901 L N 0.777 122.225 121.223 0.374 0.000 2.409 901 L HA 0.575 4.915 4.340 -0.000 0.000 0.272 901 L C -1.642 175.338 176.870 0.183 0.000 0.980 901 L CA -0.567 54.531 54.840 0.430 0.000 0.826 901 L CB 1.862 44.084 42.059 0.271 0.000 1.268 901 L HN 0.705 nan 8.230 nan 0.000 0.407 902 D N 5.247 125.731 120.400 0.140 0.000 2.299 902 D HA 0.735 5.375 4.640 -0.000 0.000 0.243 902 D C -0.632 175.656 176.300 -0.020 0.000 0.982 902 D CA -0.284 53.734 54.000 0.031 0.000 0.924 902 D CB 2.320 43.132 40.800 0.019 0.000 1.238 902 D HN 0.589 nan 8.370 nan 0.000 0.484 903 M N -0.987 118.546 119.600 -0.112 0.000 2.294 903 M HA 0.391 4.871 4.480 -0.000 0.000 0.280 903 M C -2.034 174.074 176.300 -0.320 0.000 1.085 903 M CA -0.253 54.932 55.300 -0.193 0.000 0.969 903 M CB 2.034 34.487 32.600 -0.246 0.000 1.770 903 M HN 0.151 nan 8.290 nan 0.000 0.485 904 T N 3.252 117.652 114.554 -0.256 0.000 2.890 904 T HA 0.859 5.208 4.350 -0.000 0.000 0.295 904 T C -1.039 173.575 174.700 -0.144 0.000 0.993 904 T CA -0.479 61.465 62.100 -0.260 0.000 0.979 904 T CB 0.576 69.366 68.868 -0.130 0.000 0.967 904 T HN 0.988 nan 8.240 nan 0.000 0.441 905 F N -0.438 119.461 119.950 -0.085 0.000 2.662 905 F HA 0.863 5.390 4.527 -0.000 0.000 0.312 905 F C -0.794 174.955 175.800 -0.086 0.000 1.113 905 F CA -1.678 56.262 58.000 -0.100 0.000 0.951 905 F CB 1.070 39.979 39.000 -0.153 0.000 1.344 905 F HN 0.513 nan 8.300 nan 0.000 0.462 906 E N 0.645 120.991 120.200 0.244 0.000 2.334 906 E HA 0.864 5.214 4.350 -0.000 0.000 0.256 906 E C -1.092 175.521 176.600 0.022 0.000 0.958 906 E CA -1.274 55.200 56.400 0.123 0.000 0.821 906 E CB 2.764 32.502 29.700 0.063 0.000 1.269 906 E HN 0.677 nan 8.360 nan 0.000 0.413 907 V N -2.543 117.394 119.914 0.037 0.000 3.168 907 V HA 0.339 4.459 4.120 -0.000 0.000 0.305 907 V C -1.407 174.705 176.094 0.030 0.000 1.631 907 V CA -1.208 61.112 62.300 0.034 0.000 1.005 907 V CB 1.183 33.023 31.823 0.029 0.000 1.059 907 V HN 0.530 nan 8.190 nan 0.000 0.481 908 D N 2.296 122.702 120.400 0.011 0.000 2.264 908 D HA 0.616 5.256 4.640 -0.000 0.000 0.249 908 D C -2.557 173.735 176.300 -0.013 0.000 1.070 908 D CA -1.278 52.718 54.000 -0.007 0.000 0.912 908 D CB 1.416 42.187 40.800 -0.048 0.000 1.193 908 D HN 0.612 nan 8.370 nan 0.000 0.427 909 P HA 0.101 nan 4.420 nan 0.000 0.271 909 P C -0.777 176.518 177.300 -0.010 0.000 1.233 909 P CA -0.083 63.017 63.100 0.001 0.000 0.764 909 P CB 0.444 32.152 31.700 0.012 0.000 0.825 910 M N 3.939 123.528 119.600 -0.020 0.000 2.046 910 M HA 0.068 4.548 4.480 -0.000 0.000 0.309 910 M C 0.951 177.237 176.300 -0.024 0.000 0.935 910 M CA -0.462 54.819 55.300 -0.031 0.000 0.915 910 M CB 1.494 34.059 32.600 -0.060 0.000 1.474 910 M HN 0.365 nan 8.290 nan 0.000 0.415 911 D N 2.055 122.444 120.400 -0.017 0.000 3.342 911 D HA -0.267 4.373 4.640 -0.000 0.000 0.193 911 D C -0.157 176.133 176.300 -0.017 0.000 1.177 911 D CA 1.791 55.782 54.000 -0.016 0.000 0.941 911 D CB -0.201 40.589 40.800 -0.017 0.000 0.864 911 D HN 0.645 nan 8.370 nan 0.000 0.497 912 E N -0.752 119.433 120.200 -0.024 0.000 2.433 912 E HA 0.483 4.833 4.350 -0.000 0.000 0.264 912 E C -2.921 173.662 176.600 -0.028 0.000 0.960 912 E CA -2.113 54.274 56.400 -0.023 0.000 0.866 912 E CB 0.474 30.157 29.700 -0.028 0.000 1.615 912 E HN -0.181 nan 8.360 nan 0.000 0.442 913 P HA 0.014 nan 4.420 nan 0.000 0.263 913 P C -0.286 176.986 177.300 -0.046 0.000 1.276 913 P CA 0.279 63.361 63.100 -0.030 0.000 0.986 913 P CB 0.003 31.685 31.700 -0.030 0.000 1.105 914 T N 3.093 117.622 114.554 -0.043 0.000 5.474 914 T HA 0.184 4.534 4.350 -0.000 0.000 0.228 914 T C 0.670 175.338 174.700 -0.053 0.000 0.839 914 T CA 0.094 62.156 62.100 -0.063 0.000 1.834 914 T CB -0.273 68.560 68.868 -0.057 0.000 1.181 914 T HN 0.253 nan 8.240 nan 0.000 0.263 915 L N -0.566 120.642 121.223 -0.025 0.000 3.366 915 L HA 0.244 4.584 4.340 -0.000 0.000 0.208 915 L C -2.094 174.803 176.870 0.044 0.000 1.006 915 L CA -1.050 53.794 54.840 0.006 0.000 1.077 915 L CB 0.712 42.748 42.059 -0.038 0.000 1.419 915 L HN 0.627 nan 8.230 nan 0.000 0.404 916 L N -0.801 120.493 121.223 0.118 0.000 2.403 916 L HA 0.850 5.190 4.340 -0.000 0.000 0.253 916 L C -1.454 175.598 176.870 0.302 0.000 1.045 916 L CA -0.695 54.259 54.840 0.190 0.000 0.845 916 L CB 1.621 43.827 42.059 0.244 0.000 1.447 916 L HN 0.415 nan 8.230 nan 0.000 0.411 917 Y N -0.105 120.280 120.300 0.142 0.000 2.609 917 Y HA 0.888 5.438 4.550 -0.000 0.000 0.342 917 Y C -1.252 174.739 175.900 0.152 0.000 1.058 917 Y CA -1.838 56.345 58.100 0.140 0.000 1.055 917 Y CB 2.674 41.216 38.460 0.137 0.000 1.292 917 Y HN 0.478 nan 8.280 nan 0.000 0.476 918 V N 5.219 124.957 119.914 -0.292 0.000 2.610 918 V HA 0.431 4.551 4.120 -0.000 0.000 0.298 918 V C -1.315 174.476 176.094 -0.504 0.000 1.067 918 V CA -0.911 61.202 62.300 -0.312 0.000 0.894 918 V CB 1.827 33.573 31.823 -0.127 0.000 1.015 918 V HN 0.489 nan 8.190 nan 0.000 0.432 919 L N 4.893 125.900 121.223 -0.360 0.000 2.376 919 L HA 0.627 4.967 4.340 -0.000 0.000 0.275 919 L C -0.689 176.147 176.870 -0.058 0.000 0.987 919 L CA -0.013 54.712 54.840 -0.191 0.000 0.828 919 L CB 1.732 43.731 42.059 -0.101 0.000 1.249 919 L HN 0.522 nan 8.230 nan 0.000 0.409 920 F N 1.853 121.922 119.950 0.197 0.000 2.452 920 F HA 0.392 4.919 4.527 -0.000 0.000 0.353 920 F C 0.960 176.890 175.800 0.217 0.000 1.089 920 F CA -0.501 57.698 58.000 0.333 0.000 1.080 920 F CB 1.217 40.546 39.000 0.549 0.000 1.399 920 F HN 0.336 nan 8.300 nan 0.000 0.492 921 E N 1.392 121.899 120.200 0.512 0.000 3.786 921 E HA 0.208 4.558 4.350 -0.000 0.000 0.215 921 E C -0.100 176.549 176.600 0.081 0.000 1.188 921 E CA -0.203 56.312 56.400 0.192 0.000 1.248 921 E CB 0.294 30.028 29.700 0.057 0.000 1.260 921 E HN 0.428 nan 8.360 nan 0.000 0.426 922 V N -1.952 117.963 119.914 0.002 0.000 4.045 922 V HA 0.309 4.429 4.120 -0.000 0.000 0.265 922 V C 0.140 176.312 176.094 0.131 0.000 0.889 922 V CA 0.143 62.348 62.300 -0.158 0.000 0.887 922 V CB 0.159 31.947 31.823 -0.058 0.000 1.193 922 V HN 0.124 nan 8.190 nan 0.000 0.406 923 F N 0.541 120.339 119.950 -0.252 0.000 2.716 923 F HA 0.505 5.032 4.527 -0.000 0.000 0.354 923 F C -0.680 175.042 175.800 -0.130 0.000 1.168 923 F CA -1.232 56.659 58.000 -0.180 0.000 1.045 923 F CB 1.074 39.963 39.000 -0.185 0.000 1.311 923 F HN 0.460 nan 8.300 nan 0.000 0.477 924 D N 4.353 124.722 120.400 -0.052 0.000 2.392 924 D HA 0.676 5.316 4.640 -0.000 0.000 0.228 924 D C -0.018 176.210 176.300 -0.121 0.000 1.074 924 D CA 0.109 54.064 54.000 -0.074 0.000 0.838 924 D CB 2.303 43.002 40.800 -0.168 0.000 1.067 924 D HN 0.220 nan 8.370 nan 0.000 0.511 925 V N 0.481 120.403 119.914 0.013 0.000 3.129 925 V HA 0.646 4.766 4.120 -0.000 0.000 0.310 925 V C -0.786 175.337 176.094 0.049 0.000 1.593 925 V CA -0.913 61.419 62.300 0.053 0.000 0.995 925 V CB 2.069 33.927 31.823 0.058 0.000 1.033 925 V HN 0.363 nan 8.190 nan 0.000 0.482 926 V N -1.600 118.340 119.914 0.043 0.000 3.062 926 V HA 0.413 4.533 4.120 -0.000 0.000 0.261 926 V C -0.192 175.926 176.094 0.040 0.000 1.772 926 V CA -0.921 61.381 62.300 0.004 0.000 0.967 926 V CB 1.520 33.279 31.823 -0.106 0.000 1.331 926 V HN 0.847 nan 8.190 nan 0.000 0.459 927 R N 0.884 121.407 120.500 0.039 0.000 0.943 927 R HA 0.705 5.045 4.340 -0.000 0.000 0.056 927 R C -0.231 176.097 176.300 0.046 0.000 0.484 927 R CA 1.003 57.140 56.100 0.062 0.000 2.133 927 R CB 0.261 30.591 30.300 0.050 0.000 0.539 927 R HN 1.483 nan 8.270 nan 0.000 0.790 928 V N -2.229 117.722 119.914 0.062 0.000 5.608 928 V HA 0.107 4.227 4.120 -0.000 0.000 0.408 928 V C -0.271 175.886 176.094 0.106 0.000 1.310 928 V CA -0.597 61.732 62.300 0.049 0.000 2.246 928 V CB -0.711 31.106 31.823 -0.010 0.000 0.162 928 V HN 0.669 nan 8.190 nan 0.000 0.471 929 H N 2.126 121.200 119.070 0.006 0.000 2.767 929 H HA 0.622 5.178 4.556 -0.000 0.000 0.380 929 H C 0.585 175.918 175.328 0.008 0.000 1.409 929 H CA 0.717 56.773 56.048 0.014 0.000 1.463 929 H CB 1.010 30.783 29.762 0.020 0.000 1.514 929 H HN 0.652 nan 8.280 nan 0.000 0.619 930 R N 2.237 122.540 120.500 -0.328 0.000 3.179 930 R HA 0.189 4.529 4.340 -0.000 0.000 0.231 930 R C -2.681 173.460 176.300 -0.265 0.000 1.796 930 R CA -1.029 54.942 56.100 -0.214 0.000 1.233 930 R CB 0.397 30.627 30.300 -0.117 0.000 1.545 930 R HN 0.330 nan 8.270 nan 0.000 0.552 931 P HA -0.194 nan 4.420 nan 0.000 0.209 931 P C -0.070 177.350 177.300 0.199 0.000 1.167 931 P CA 1.825 64.943 63.100 0.029 0.000 0.941 931 P CB 0.054 31.851 31.700 0.160 0.000 0.787 932 H N -3.252 115.785 119.070 -0.054 0.000 3.971 932 H HA 0.397 4.953 4.556 -0.000 0.000 0.370 932 H C 0.031 175.331 175.328 -0.047 0.000 1.647 932 H CA -1.191 54.828 56.048 -0.047 0.000 1.211 932 H CB -0.502 29.238 29.762 -0.036 0.000 1.343 932 H HN -0.183 nan 8.280 nan 0.000 0.748 933 R N 0.689 121.214 120.500 0.043 0.000 2.480 933 R HA 0.193 4.533 4.340 -0.000 0.000 0.303 933 R C 0.405 176.604 176.300 -0.168 0.000 0.985 933 R CA 1.100 57.160 56.100 -0.066 0.000 1.051 933 R CB -0.591 29.675 30.300 -0.057 0.000 0.935 933 R HN 1.019 nan 8.270 nan 0.000 0.410 934 G N 2.819 111.501 108.800 -0.196 0.000 2.395 934 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.292 934 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.292 934 G C -0.567 174.319 174.900 -0.024 0.000 0.953 934 G CA 0.368 45.306 45.100 -0.270 0.000 1.207 934 G HN 0.497 nan 8.290 nan 0.000 0.503 935 V N 1.566 121.460 119.914 -0.034 0.000 2.655 935 V HA 0.722 4.842 4.120 -0.000 0.000 0.301 935 V C 0.047 176.096 176.094 -0.074 0.000 1.082 935 V CA -0.461 61.756 62.300 -0.140 0.000 0.899 935 V CB 1.736 33.232 31.823 -0.545 0.000 1.014 935 V HN 0.608 nan 8.190 nan 0.000 0.429 936 I N 3.228 123.783 120.570 -0.026 0.000 3.354 936 I HA 0.859 5.029 4.170 -0.000 0.000 0.316 936 I C -0.642 175.481 176.117 0.010 0.000 1.182 936 I CA -0.844 60.448 61.300 -0.014 0.000 0.942 936 I CB 2.361 40.344 38.000 -0.029 0.000 1.299 936 I HN 0.702 nan 8.210 nan 0.000 0.473 937 E N -0.199 120.021 120.200 0.033 0.000 2.388 937 E HA 0.801 5.151 4.350 -0.000 0.000 0.280 937 E C -1.517 175.111 176.600 0.047 0.000 1.019 937 E CA -0.870 55.559 56.400 0.048 0.000 0.806 937 E CB 2.479 32.225 29.700 0.077 0.000 1.246 937 E HN 0.679 nan 8.360 nan 0.000 0.443 938 T N 0.352 114.935 114.554 0.047 0.000 3.310 938 T HA 0.194 4.544 4.350 -0.000 0.000 0.420 938 T C -1.984 172.772 174.700 0.093 0.000 1.653 938 T CA -0.712 61.415 62.100 0.045 0.000 1.062 938 T CB 1.127 69.999 68.868 0.007 0.000 1.637 938 T HN 0.451 nan 8.240 nan 0.000 0.466 939 V N 4.469 124.450 119.914 0.111 0.000 2.532 939 V HA 0.424 4.544 4.120 -0.000 0.000 0.294 939 V C -0.418 175.831 176.094 0.258 0.000 1.036 939 V CA -1.071 61.369 62.300 0.234 0.000 0.876 939 V CB 0.958 32.879 31.823 0.163 0.000 1.012 939 V HN 0.891 nan 8.190 nan 0.000 0.432 940 Y N 5.147 125.506 120.300 0.098 0.000 2.686 940 Y HA 0.220 4.770 4.550 -0.000 0.000 0.353 940 Y C 0.344 176.301 175.900 0.094 0.000 1.262 940 Y CA 0.343 58.520 58.100 0.127 0.000 1.441 940 Y CB 0.004 38.564 38.460 0.166 0.000 1.314 940 Y HN 0.422 nan 8.280 nan 0.000 0.696 941 L N -0.411 120.973 121.223 0.269 0.000 3.150 941 L HA 0.281 4.621 4.340 -0.000 0.000 0.231 941 L C -1.330 175.613 176.870 0.120 0.000 0.994 941 L CA -1.201 53.733 54.840 0.157 0.000 1.050 941 L CB 1.519 43.634 42.059 0.093 0.000 1.506 941 L HN 0.889 nan 8.230 nan 0.000 0.420 942 R N -0.175 120.373 120.500 0.080 0.000 2.566 942 R HA 0.828 5.168 4.340 -0.000 0.000 0.271 942 R C -1.570 174.668 176.300 -0.103 0.000 1.071 942 R CA -0.648 55.472 56.100 0.033 0.000 0.915 942 R CB 1.716 32.078 30.300 0.104 0.000 1.228 942 R HN 0.526 nan 8.270 nan 0.000 0.449 943 T N 2.164 116.569 114.554 -0.248 0.000 2.770 943 T HA 0.434 4.784 4.350 -0.000 0.000 0.283 943 T C -2.250 171.984 174.700 -0.777 0.000 0.988 943 T CA -1.745 60.084 62.100 -0.452 0.000 0.957 943 T CB 1.794 70.425 68.868 -0.395 0.000 0.930 943 T HN 0.369 nan 8.240 nan 0.000 0.443 944 P HA 0.288 nan 4.420 nan 0.000 0.312 944 P C -0.103 176.655 177.300 -0.902 0.000 1.307 944 P CA -0.638 61.892 63.100 -0.950 0.000 0.738 944 P CB 0.104 31.187 31.700 -1.030 0.000 1.422 945 F N -3.696 116.206 119.950 -0.080 0.000 2.950 945 F HA -0.191 4.336 4.527 -0.000 0.000 0.334 945 F C 0.724 176.512 175.800 -0.020 0.000 0.979 945 F CA -0.422 57.559 58.000 -0.032 0.000 1.140 945 F CB -2.692 36.301 39.000 -0.010 0.000 1.281 945 F HN 0.109 nan 8.300 nan 0.000 0.734 946 S N -0.044 115.707 115.700 0.085 0.000 4.213 946 S HA 0.898 5.368 4.470 -0.000 0.000 0.198 946 S C 0.545 175.184 174.600 0.065 0.000 0.970 946 S CA -0.292 57.943 58.200 0.058 0.000 1.707 946 S CB 0.942 64.140 63.200 -0.003 0.000 0.685 946 S HN 1.898 nan 8.310 nan 0.000 0.736 947 A N -0.462 122.379 122.820 0.035 0.000 2.430 947 A HA 0.430 4.750 4.320 -0.000 0.000 0.685 947 A C -0.222 177.379 177.584 0.028 0.000 0.138 947 A CA -0.378 51.677 52.037 0.030 0.000 0.035 947 A CB -1.343 17.682 19.000 0.041 0.000 3.965 947 A HN 1.611 nan 8.150 nan 0.000 0.547 948 G N 2.806 111.615 108.800 0.016 0.000 2.744 948 G HA2 0.623 4.583 3.960 -0.000 0.000 0.309 948 G HA3 0.623 4.583 3.960 -0.000 0.000 0.309 948 G C -0.331 174.575 174.900 0.010 0.000 1.328 948 G CA 0.221 45.330 45.100 0.016 0.000 1.034 948 G HN 1.403 nan 8.290 nan 0.000 0.518 949 N N 0.000 118.707 118.700 0.011 0.000 1.763 949 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 949 N CA 0.000 53.054 53.050 0.007 0.000 0.885 949 N CB 0.000 38.492 38.487 0.008 0.000 1.341 949 N HN 0.000 nan 8.380 nan 0.000 0.667