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 3iyl_1_Y DATA FIRST_RESID 15 DATA SEQUENCE SPADTNVVPA KDAPTTNSPP STTSPNQAAA DANQQQAGIV SSQSGPNAVG DATA SEQUENCE DSAPSSSVNN DGDIITRPTS DSIAAVANAT KPAAVVSDPQ SMKVTPIVNP DATA SEQUENCE SSYVCNVCNA RFSTMSALSE HLRSDHRXXX XXXXXXXXXX NAIRSFLTAW DATA SEQUENCE DDIRILSPXX XXXXXXXXXD SAVANGPELI IEDTGLCTSF MLLDNIPSAH DATA SEQUENCE LTKELIGFTW FMQMYQMTPP LPEGAVNRIV CMTNWASLGD EGRGLEVRLP DATA SEQUENCE PPTDSSVHAY KTVLSRGYID NAQFNPLALR SNVLLMLLQF TLSNLKINKS DATA SEQUENCE STFTSDVTTI TSGRMIRAFE GRPELLALAY PGRAVLPTQT KNAQFLSTAI DATA SEQUENCE ADRIGRLDRA NLIGGEVSAM VECMELCDAL TLHIRETYIM LLRSMHQDPT DATA SEQUENCE QIVQIVNECA NNLLNSTIPI SLRPTILCPW FASSEDLRLQ QVMHLVNISS DATA SEQUENCE NTAAALPLVE ALSTLLRSVT PLVLDPTVLT NAITTISXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXD YAAFWKCIAS WAYNGLVTTV LSEDAFPDSS QSITHLPSMW DATA SEQUENCE KCLFLTLAGP MTSDPHSPVK VFMALANLLA QPEPIAIGVP GMHQTTPASQ DATA SEQUENCE FSHPGVWPPG FLNPQLINPQ QAPLLRAFAE HIRANWPQPS EFGYGSTLQG DATA SEQUENCE SANLFIPSNR MVYPWPNQPL PRLTVAPTYD SAMSNWISTT IAFFIRVVNS DATA SEQUENCE VNMTATVNDL TRRTMTGVMT AMRQVKTMTP FYIQHMCPTE LSVLASVTVT DATA SEQUENCE PPFQVPFTRL VQNDVITNVL VARVDPAQRG DAAVDIRATH ATFAAALPVD DATA SEQUENCE PAAIVVAMLC GQTETNLIPS HHYGKAFAPL FASNAMFTRN QRAVITREAF DATA SEQUENCE VCARSAVAQC QDAGFLVPRP LDALRQFDVT SAAAAEIMHA VNDAFKTAFD DATA SEQUENCE LDGALLDGLA LYGDPRIADL SAAYLQYGGN VVREHVPPGP SHIHRALQQV DATA SEQUENCE ESTFMAEMNL FNVARGNLYL VQTATNGNWS PMAPVAAPPF VRGGPNVRVV DATA SEQUENCE GRFGTIVPRP NGLEPQLIDD GNVPRDIAGD WVYPSDVLQV SVAVFRDYVW DATA SEQUENCE PMVKAGRTRV LVELGHYVYT LHYYDPQISL DEAPILEEWL SKINPAGIPP DATA SEQUENCE VPFCIPIPQV YPCITARRVH YAFTSENNND SLFSTNAASI DTAFGENAAV DATA SEQUENCE SPLRWPGLVD PNYRVGTNDL PNRITLYNSL YRYNFTYPTL DGIMYVRSAT 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 15 S HA 0.000 nan 4.470 nan 0.000 0.327 15 S C 0.000 174.600 174.600 0.000 0.000 1.055 15 S CA 0.000 58.200 58.200 0.000 0.000 1.107 15 S CB 0.000 63.200 63.200 0.000 0.000 0.593 16 P HA 0.414 nan 4.420 nan 0.000 0.274 16 P C 0.534 177.834 177.300 0.000 0.000 1.264 16 P CA 0.843 63.944 63.100 0.000 0.000 0.795 16 P CB 0.256 31.956 31.700 0.000 0.000 1.064 17 A N -0.672 122.149 122.820 0.000 0.000 2.860 17 A HA -0.202 4.118 4.320 0.000 0.000 0.267 17 A C 0.829 178.413 177.584 0.000 0.000 1.421 17 A CA 1.681 53.718 52.037 0.000 0.000 0.831 17 A CB -2.458 16.543 19.000 0.000 0.000 1.041 17 A HN 0.721 nan 8.150 nan 0.000 0.623 18 D N -4.148 116.253 120.400 0.000 0.000 1.791 18 D HA -0.018 4.622 4.640 0.000 0.000 0.548 18 D C 1.408 177.708 176.300 0.000 0.000 0.912 18 D CA 1.148 55.148 54.000 0.000 0.000 1.042 18 D CB -0.548 40.252 40.800 0.000 0.000 1.657 18 D HN 0.263 nan 8.370 nan 0.000 0.524 19 T N 1.308 115.862 114.554 0.000 0.000 2.833 19 T HA -0.042 4.308 4.350 0.000 0.000 0.269 19 T C 0.758 175.458 174.700 0.000 0.000 1.054 19 T CA 1.068 63.169 62.100 0.000 0.000 1.135 19 T CB -0.203 68.665 68.868 0.000 0.000 0.869 19 T HN 0.276 nan 8.240 nan 0.000 0.466 20 N N 0.894 119.594 118.700 0.000 0.000 2.576 20 N HA 0.381 5.121 4.740 0.000 0.000 0.269 20 N C -1.725 173.785 175.510 0.000 0.000 1.058 20 N CA -0.406 52.645 53.050 0.000 0.000 0.860 20 N CB 1.542 40.029 38.487 0.000 0.000 1.249 20 N HN -0.028 nan 8.380 nan 0.000 0.525 21 V N 1.566 121.480 119.914 0.000 0.000 2.483 21 V HA 0.525 4.645 4.120 0.000 0.000 0.297 21 V C 0.071 176.165 176.094 0.000 0.000 1.027 21 V CA -0.830 61.470 62.300 0.000 0.000 0.855 21 V CB 1.621 33.444 31.823 0.000 0.000 0.995 21 V HN 0.575 nan 8.190 nan 0.000 0.424 22 V N 3.140 123.055 119.914 0.000 0.000 2.960 22 V HA 0.778 4.898 4.120 0.000 0.000 0.315 22 V C -2.531 173.563 176.094 0.000 0.000 1.087 22 V CA -2.692 59.609 62.300 0.000 0.000 0.982 22 V CB 1.242 33.065 31.823 0.000 0.000 1.039 22 V HN 0.718 nan 8.190 nan 0.000 0.437 23 P HA 0.292 nan 4.420 nan 0.000 0.260 23 P C 0.264 177.564 177.300 0.001 0.000 1.172 23 P CA 0.709 63.809 63.100 0.001 0.000 0.760 23 P CB 0.103 31.803 31.700 0.001 0.000 0.773 24 A N 3.503 126.323 122.820 0.001 0.000 2.455 24 A HA 0.075 4.395 4.320 0.000 0.000 0.244 24 A C 0.551 178.135 177.584 0.001 0.000 1.099 24 A CA -0.115 51.922 52.037 0.001 0.000 0.786 24 A CB -0.060 18.941 19.000 0.001 0.000 1.051 24 A HN 0.547 nan 8.150 nan 0.000 0.508 25 K N 0.918 121.318 120.400 0.001 0.000 2.419 25 K HA 0.105 4.425 4.320 0.000 0.000 0.282 25 K C -0.579 176.021 176.600 0.001 0.000 1.056 25 K CA 0.901 57.189 56.287 0.001 0.000 1.035 25 K CB -0.328 32.173 32.500 0.001 0.000 0.921 25 K HN 0.608 nan 8.250 nan 0.000 0.472 26 D N 2.296 122.696 120.400 0.001 0.000 2.981 26 D HA -0.249 4.391 4.640 0.000 0.000 0.223 26 D C 0.765 177.065 176.300 0.001 0.000 1.151 26 D CA 0.942 54.943 54.000 0.001 0.000 0.827 26 D CB -1.481 39.320 40.800 0.001 0.000 1.101 26 D HN 0.630 nan 8.370 nan 0.000 0.426 27 A N 0.189 123.010 122.820 0.001 0.000 1.915 27 A HA -0.174 4.146 4.320 0.000 0.000 0.220 27 A C -0.004 177.580 177.584 0.001 0.000 1.198 27 A CA 2.256 54.294 52.037 0.001 0.000 0.647 27 A CB -1.401 17.599 19.000 0.001 0.000 0.825 27 A HN 0.346 nan 8.150 nan 0.000 0.456 28 P HA -0.144 nan 4.420 nan 0.000 0.219 28 P C 0.718 178.019 177.300 0.001 0.000 1.158 28 P CA 2.242 65.342 63.100 0.001 0.000 0.895 28 P CB -0.188 31.513 31.700 0.001 0.000 0.792 29 T N -5.953 108.602 114.554 0.001 0.000 3.305 29 T HA 0.432 4.782 4.350 0.000 0.000 0.348 29 T C 0.317 175.017 174.700 0.001 0.000 1.394 29 T CA -0.545 61.555 62.100 0.001 0.000 1.549 29 T CB 0.379 69.247 68.868 0.001 0.000 0.962 29 T HN -0.171 nan 8.240 nan 0.000 0.609 30 T N 1.469 116.023 114.554 0.001 0.000 3.111 30 T HA 0.091 4.441 4.350 0.000 0.000 0.236 30 T C 2.104 176.804 174.700 0.001 0.000 0.984 30 T CA 0.187 62.287 62.100 0.001 0.000 1.195 30 T CB -0.049 68.819 68.868 0.001 0.000 0.929 30 T HN 0.538 nan 8.240 nan 0.000 0.431 31 N N 2.782 121.483 118.700 0.001 0.000 2.223 31 N HA -0.056 4.684 4.740 0.000 0.000 0.185 31 N C 0.895 176.406 175.510 0.001 0.000 1.016 31 N CA 0.587 53.637 53.050 0.001 0.000 0.863 31 N CB -0.551 37.936 38.487 0.001 0.000 0.983 31 N HN 0.426 nan 8.380 nan 0.000 0.429 32 S N 2.933 118.634 115.700 0.001 0.000 3.074 32 S HA 0.004 4.474 4.470 0.000 0.000 0.359 32 S C -2.194 172.406 174.600 0.001 0.000 1.207 32 S CA -0.915 57.285 58.200 0.001 0.000 1.061 32 S CB -0.105 63.095 63.200 0.001 0.000 0.769 32 S HN 0.216 nan 8.310 nan 0.000 0.512 33 P HA 0.358 nan 4.420 nan 0.000 0.282 33 P C -2.846 174.455 177.300 0.001 0.000 1.249 33 P CA -2.252 60.849 63.100 0.001 0.000 0.806 33 P CB -0.039 31.662 31.700 0.001 0.000 0.984 34 P HA 0.179 nan 4.420 nan 0.000 0.266 34 P C -0.523 176.777 177.300 0.001 0.000 1.419 34 P CA 0.744 63.844 63.100 0.001 0.000 1.112 34 P CB -0.184 31.517 31.700 0.001 0.000 1.438 35 S N 1.062 116.762 115.700 0.001 0.000 2.607 35 S HA 0.510 4.980 4.470 0.000 0.000 0.303 35 S C 0.977 175.578 174.600 0.001 0.000 1.086 35 S CA -0.474 57.726 58.200 0.001 0.000 0.995 35 S CB 1.558 64.759 63.200 0.001 0.000 1.084 35 S HN 0.434 nan 8.310 nan 0.000 0.507 36 T N -2.709 111.845 114.554 0.001 0.000 3.043 36 T HA 0.163 4.513 4.350 0.000 0.000 0.272 36 T C 1.163 175.863 174.700 0.001 0.000 0.990 36 T CA -0.018 62.082 62.100 0.001 0.000 0.897 36 T CB 0.085 68.953 68.868 0.001 0.000 1.111 36 T HN 0.427 nan 8.240 nan 0.000 0.529 37 T N 2.759 117.313 114.554 0.001 0.000 2.818 37 T HA 0.099 4.449 4.350 0.000 0.000 0.246 37 T C 1.468 176.168 174.700 0.001 0.000 1.036 37 T CA 1.318 63.418 62.100 0.001 0.000 1.160 37 T CB -0.131 68.737 68.868 0.001 0.000 0.869 37 T HN 0.574 nan 8.240 nan 0.000 0.419 38 S N -0.229 115.471 115.700 0.001 0.000 2.902 38 S HA 0.389 4.859 4.470 0.000 0.000 0.250 38 S C -2.082 172.519 174.600 0.001 0.000 1.046 38 S CA -0.830 57.370 58.200 0.001 0.000 1.069 38 S CB 0.715 63.915 63.200 0.001 0.000 0.967 38 S HN 0.072 nan 8.310 nan 0.000 0.530 39 P HA -0.355 nan 4.420 nan 0.000 0.236 39 P C 1.124 178.425 177.300 0.001 0.000 0.749 39 P CA 2.299 65.400 63.100 0.001 0.000 1.077 39 P CB -0.354 31.347 31.700 0.001 0.000 0.720 40 N N -1.742 116.958 118.700 0.001 0.000 2.058 40 N HA -0.160 4.580 4.740 0.000 0.000 0.191 40 N C 1.676 177.187 175.510 0.001 0.000 1.037 40 N CA 1.382 54.432 53.050 0.001 0.000 0.848 40 N CB -0.860 37.627 38.487 0.001 0.000 1.021 40 N HN 0.358 nan 8.380 nan 0.000 0.422 41 Q N 1.176 120.977 119.800 0.001 0.000 2.045 41 Q HA -0.050 4.290 4.340 0.000 0.000 0.206 41 Q C 2.188 178.189 176.000 0.001 0.000 0.991 41 Q CA 1.545 57.348 55.803 0.001 0.000 0.851 41 Q CB -1.021 27.717 28.738 0.001 0.000 0.911 41 Q HN 0.410 nan 8.270 nan 0.000 0.418 42 A N 1.190 124.010 122.820 0.001 0.000 1.948 42 A HA -0.157 4.163 4.320 0.000 0.000 0.220 42 A C 2.333 179.917 177.584 0.001 0.000 1.177 42 A CA 2.429 54.466 52.037 0.001 0.000 0.636 42 A CB -0.723 18.278 19.000 0.001 0.000 0.815 42 A HN 0.412 nan 8.150 nan 0.000 0.449 43 A N -0.582 122.238 122.820 0.001 0.000 1.898 43 A HA 0.360 4.680 4.320 0.000 0.000 0.214 43 A C 2.332 179.917 177.584 0.001 0.000 1.183 43 A CA 1.433 53.471 52.037 0.001 0.000 0.622 43 A CB -0.853 18.147 19.000 0.001 0.000 0.824 43 A HN 1.131 nan 8.150 nan 0.000 0.444 44 A N -0.613 122.208 122.820 0.001 0.000 2.248 44 A HA -0.025 4.295 4.320 0.000 0.000 0.210 44 A C 1.343 178.927 177.584 0.001 0.000 1.174 44 A CA 1.598 53.635 52.037 0.001 0.000 0.750 44 A CB -0.326 18.674 19.000 0.001 0.000 0.780 44 A HN 0.451 nan 8.150 nan 0.000 0.478 45 D N -0.918 119.482 120.400 0.001 0.000 2.615 45 D HA 0.209 4.849 4.640 0.000 0.000 0.259 45 D C 2.286 178.586 176.300 0.001 0.000 0.999 45 D CA 1.071 55.072 54.000 0.001 0.000 0.938 45 D CB -0.550 40.250 40.800 0.001 0.000 1.121 45 D HN 0.266 nan 8.370 nan 0.000 0.487 46 A N 1.416 124.237 122.820 0.001 0.000 1.892 46 A HA -0.253 4.067 4.320 0.000 0.000 0.218 46 A C 1.929 179.513 177.584 0.001 0.000 1.188 46 A CA 1.852 53.889 52.037 0.001 0.000 0.631 46 A CB -0.713 18.287 19.000 0.001 0.000 0.822 46 A HN 0.125 nan 8.150 nan 0.000 0.447 47 N N -0.786 117.914 118.700 0.001 0.000 2.166 47 N HA -0.139 4.601 4.740 0.000 0.000 0.186 47 N C 1.855 177.365 175.510 0.001 0.000 1.019 47 N CA 1.527 54.577 53.050 0.001 0.000 0.856 47 N CB -0.398 38.089 38.487 0.001 0.000 0.993 47 N HN 0.548 nan 8.380 nan 0.000 0.426 48 Q N 1.265 121.065 119.800 0.001 0.000 2.002 48 Q HA -0.176 4.164 4.340 0.000 0.000 0.204 48 Q C 2.031 178.031 176.000 0.000 0.000 0.988 48 Q CA 1.789 57.592 55.803 0.000 0.000 0.843 48 Q CB -0.426 28.312 28.738 0.000 0.000 0.908 48 Q HN 0.664 nan 8.270 nan 0.000 0.420 49 Q N -0.830 118.970 119.800 0.000 0.000 2.119 49 Q HA -0.241 4.099 4.340 0.000 0.000 0.201 49 Q C 1.981 177.982 176.000 0.000 0.000 0.972 49 Q CA 1.496 57.300 55.803 0.000 0.000 0.847 49 Q CB -0.412 28.326 28.738 0.001 0.000 0.903 49 Q HN 0.252 nan 8.270 nan 0.000 0.433 50 Q N 1.683 121.483 119.800 0.001 0.000 2.062 50 Q HA -0.176 4.164 4.340 0.000 0.000 0.209 50 Q C 2.111 178.111 176.000 0.000 0.000 0.996 50 Q CA 2.787 58.591 55.803 0.001 0.000 0.859 50 Q CB -0.929 27.809 28.738 0.001 0.000 0.920 50 Q HN 0.534 nan 8.270 nan 0.000 0.415 51 A N -1.303 121.517 122.820 0.000 0.000 2.131 51 A HA 0.135 4.455 4.320 0.000 0.000 0.220 51 A C 1.805 179.389 177.584 0.000 0.000 1.158 51 A CA 1.855 53.893 52.037 0.000 0.000 0.665 51 A CB -0.863 18.138 19.000 0.000 0.000 0.795 51 A HN 0.936 nan 8.150 nan 0.000 0.460 52 G N -1.493 107.307 108.800 0.000 0.000 2.213 52 G HA2 -0.225 3.735 3.960 0.000 0.000 0.236 52 G HA3 -0.225 3.735 3.960 0.000 0.000 0.236 52 G C 0.265 175.165 174.900 0.000 0.000 0.991 52 G CA 0.001 45.101 45.100 0.000 0.000 0.629 52 G HN 0.560 nan 8.290 nan 0.000 0.517 53 I N 2.501 123.071 120.570 0.000 0.000 2.792 53 I HA 0.126 4.296 4.170 0.000 0.000 0.284 53 I C 1.360 177.477 176.117 0.000 0.000 1.166 53 I CA -0.091 61.209 61.300 0.000 0.000 1.375 53 I CB 0.347 38.347 38.000 0.000 0.000 1.421 53 I HN -0.029 nan 8.210 nan 0.000 0.544 54 V N 6.157 126.071 119.914 0.000 0.000 2.901 54 V HA -0.119 4.001 4.120 0.000 0.000 0.307 54 V C 1.459 177.553 176.094 0.000 0.000 1.084 54 V CA 0.718 63.018 62.300 0.000 0.000 1.184 54 V CB 1.437 33.260 31.823 0.000 0.000 0.941 54 V HN 0.957 nan 8.190 nan 0.000 0.493 55 S N 3.079 118.779 115.700 0.000 0.000 2.343 55 S HA -0.166 4.304 4.470 0.000 0.000 0.219 55 S C 2.159 176.759 174.600 0.000 0.000 1.033 55 S CA 2.086 60.286 58.200 0.000 0.000 1.014 55 S CB -0.384 62.816 63.200 0.000 0.000 0.915 55 S HN 1.127 nan 8.310 nan 0.000 0.435 56 S N 0.810 116.511 115.700 0.000 0.000 2.440 56 S HA -0.151 4.319 4.470 0.000 0.000 0.238 56 S C 1.856 176.456 174.600 0.000 0.000 1.010 56 S CA 1.149 59.349 58.200 0.000 0.000 0.972 56 S CB -0.646 62.555 63.200 0.000 0.000 0.774 56 S HN 0.699 nan 8.310 nan 0.000 0.501 57 Q N 0.940 120.740 119.800 0.000 0.000 1.994 57 Q HA 0.091 4.431 4.340 0.000 0.000 0.198 57 Q C 1.033 177.033 176.000 0.000 0.000 0.976 57 Q CA 1.076 56.880 55.803 0.000 0.000 0.828 57 Q CB -0.196 28.542 28.738 0.000 0.000 0.894 57 Q HN 0.537 nan 8.270 nan 0.000 0.432 58 S N 0.094 115.794 115.700 0.000 0.000 2.411 58 S HA 0.361 4.831 4.470 0.000 0.000 0.294 58 S C 0.388 174.989 174.600 0.000 0.000 1.115 58 S CA -0.479 57.721 58.200 0.000 0.000 1.071 58 S CB 0.922 64.123 63.200 0.000 0.000 0.967 58 S HN 0.362 nan 8.310 nan 0.000 0.488 59 G N 5.725 114.525 108.800 0.000 0.000 2.832 59 G HA2 0.140 4.100 3.960 0.000 0.000 0.187 59 G HA3 0.140 4.100 3.960 0.000 0.000 0.187 59 G C -1.308 173.592 174.900 0.000 0.000 1.817 59 G CA -0.126 44.974 45.100 0.000 0.000 0.896 59 G HN 0.570 nan 8.290 nan 0.000 0.453 60 P HA -0.175 nan 4.420 nan 0.000 0.218 60 P C 1.176 178.477 177.300 0.000 0.000 1.152 60 P CA 1.647 64.747 63.100 0.000 0.000 0.857 60 P CB -0.184 31.517 31.700 0.000 0.000 0.787 61 N N 0.475 119.175 118.700 0.000 0.000 2.006 61 N HA -0.156 4.584 4.740 0.000 0.000 0.196 61 N C 1.532 177.042 175.510 0.000 0.000 1.057 61 N CA 1.640 54.690 53.050 0.000 0.000 0.853 61 N CB -1.529 36.958 38.487 0.000 0.000 1.051 61 N HN 0.024 nan 8.380 nan 0.000 0.423 62 A N 0.324 123.145 122.820 0.000 0.000 2.215 62 A HA 0.114 4.434 4.320 0.000 0.000 0.208 62 A C 1.505 179.089 177.584 0.000 0.000 1.296 62 A CA 0.298 52.335 52.037 0.000 0.000 0.918 62 A CB -0.756 18.244 19.000 0.000 0.000 0.806 62 A HN 0.130 nan 8.150 nan 0.000 0.490 63 V N -0.426 119.488 119.914 0.000 0.000 2.403 63 V HA 0.124 4.244 4.120 0.000 0.000 0.228 63 V C 1.704 177.798 176.094 0.000 0.000 1.082 63 V CA 1.395 63.695 62.300 0.000 0.000 1.073 63 V CB -0.776 31.047 31.823 0.000 0.000 0.696 63 V HN 0.504 nan 8.190 nan 0.000 0.485 64 G N 2.979 111.779 108.800 0.000 0.000 2.696 64 G HA2 0.526 4.486 3.960 0.000 0.000 0.329 64 G HA3 0.526 4.486 3.960 0.000 0.000 0.329 64 G C -1.077 173.823 174.900 0.000 0.000 0.973 64 G CA -0.104 44.996 45.100 0.000 0.000 1.257 64 G HN 0.582 nan 8.290 nan 0.000 0.456 65 D N 0.483 120.884 120.400 0.000 0.000 2.736 65 D HA 0.507 5.147 4.640 0.000 0.000 0.223 65 D C -0.731 175.569 176.300 0.000 0.000 1.231 65 D CA -0.548 53.453 54.000 0.000 0.000 0.818 65 D CB 1.598 42.398 40.800 0.000 0.000 1.587 65 D HN 0.143 nan 8.370 nan 0.000 0.463 66 S N -0.440 115.260 115.700 0.000 0.000 2.638 66 S HA 0.950 5.420 4.470 0.000 0.000 0.302 66 S C -0.765 173.835 174.600 0.001 0.000 1.096 66 S CA -0.739 57.461 58.200 0.001 0.000 0.953 66 S CB 1.844 65.044 63.200 0.001 0.000 1.107 66 S HN 0.863 nan 8.310 nan 0.000 0.503 67 A N 1.293 124.114 122.820 0.001 0.000 2.515 67 A HA 0.873 5.193 4.320 0.000 0.000 0.296 67 A C -3.188 174.396 177.584 0.001 0.000 1.094 67 A CA -2.062 49.975 52.037 0.001 0.000 0.718 67 A CB 0.681 19.682 19.000 0.001 0.000 1.307 67 A HN 0.509 nan 8.150 nan 0.000 0.408 68 P HA 0.221 nan 4.420 nan 0.000 0.268 68 P C -0.313 176.988 177.300 0.001 0.000 1.204 68 P CA 0.314 63.414 63.100 0.001 0.000 0.768 68 P CB 0.998 32.699 31.700 0.001 0.000 0.842 69 S N 1.528 117.228 115.700 0.001 0.000 2.549 69 S HA 0.222 4.692 4.470 0.000 0.000 0.297 69 S C 1.402 176.002 174.600 0.001 0.000 1.115 69 S CA -0.390 57.810 58.200 0.001 0.000 1.059 69 S CB 0.732 63.932 63.200 0.001 0.000 1.046 69 S HN 0.337 nan 8.310 nan 0.000 0.506 70 S N 2.454 118.154 115.700 0.001 0.000 2.507 70 S HA -0.064 4.406 4.470 0.000 0.000 0.235 70 S C 1.670 176.270 174.600 0.001 0.000 0.988 70 S CA 1.691 59.892 58.200 0.001 0.000 0.944 70 S CB -0.431 62.770 63.200 0.001 0.000 0.762 70 S HN 0.797 nan 8.310 nan 0.000 0.526 71 S N -0.487 115.214 115.700 0.001 0.000 2.591 71 S HA 0.098 4.568 4.470 0.000 0.000 0.235 71 S C 1.650 176.251 174.600 0.001 0.000 1.074 71 S CA 0.656 58.856 58.200 0.001 0.000 0.925 71 S CB -0.703 62.498 63.200 0.001 0.000 0.818 71 S HN 0.246 nan 8.310 nan 0.000 0.535 72 V N 3.412 123.327 119.914 0.001 0.000 2.495 72 V HA -0.262 3.858 4.120 0.000 0.000 0.260 72 V C 1.027 177.121 176.094 0.001 0.000 1.097 72 V CA 1.771 64.072 62.300 0.001 0.000 1.105 72 V CB -2.383 29.441 31.823 0.001 0.000 0.678 72 V HN 1.035 nan 8.190 nan 0.000 0.469 73 N N -0.615 118.085 118.700 0.001 0.000 5.823 73 N HA -0.285 4.455 4.740 0.000 0.000 0.383 73 N C -0.061 175.450 175.510 0.001 0.000 1.085 73 N CA 1.256 54.306 53.050 0.001 0.000 2.375 73 N CB -1.294 37.193 38.487 0.001 0.000 0.626 73 N HN 0.202 nan 8.380 nan 0.000 0.661 74 N N -0.433 118.268 118.700 0.001 0.000 2.348 74 N HA -0.032 4.708 4.740 0.000 0.000 0.185 74 N C -0.684 174.826 175.510 0.001 0.000 1.019 74 N CA 1.632 54.682 53.050 0.001 0.000 0.880 74 N CB -0.163 38.325 38.487 0.001 0.000 0.965 74 N HN 0.536 nan 8.380 nan 0.000 0.437 75 D N -2.036 118.364 120.400 0.001 0.000 2.299 75 D HA 0.259 4.899 4.640 0.000 0.000 0.243 75 D C 1.363 177.664 176.300 0.001 0.000 0.982 75 D CA -0.505 53.495 54.000 0.001 0.000 0.924 75 D CB 1.063 41.864 40.800 0.001 0.000 1.238 75 D HN 0.030 nan 8.370 nan 0.000 0.484 76 G N 0.765 109.565 108.800 0.001 0.000 2.703 76 G HA2 -0.276 3.684 3.960 0.000 0.000 0.222 76 G HA3 -0.276 3.684 3.960 0.000 0.000 0.222 76 G C 0.304 175.205 174.900 0.001 0.000 1.183 76 G CA 0.834 45.934 45.100 0.001 0.000 0.775 76 G HN 0.522 nan 8.290 nan 0.000 0.615 77 D N 0.496 120.896 120.400 0.001 0.000 3.046 77 D HA -0.038 4.602 4.640 0.000 0.000 0.213 77 D C 0.347 176.647 176.300 0.001 0.000 1.074 77 D CA 0.478 54.479 54.000 0.001 0.000 0.785 77 D CB 0.327 41.127 40.800 0.001 0.000 1.160 77 D HN 0.040 nan 8.370 nan 0.000 0.524 78 I N 4.604 125.175 120.570 0.001 0.000 2.352 78 I HA 0.079 4.249 4.170 0.000 0.000 0.303 78 I C 1.130 177.248 176.117 0.001 0.000 1.194 78 I CA -0.110 61.191 61.300 0.001 0.000 1.518 78 I CB -0.484 37.516 38.000 0.001 0.000 1.489 78 I HN 0.314 nan 8.210 nan 0.000 0.702 79 I N 4.144 124.715 120.570 0.001 0.000 3.094 79 I HA -0.132 4.038 4.170 0.000 0.000 0.291 79 I C 0.821 176.938 176.117 0.001 0.000 1.250 79 I CA 1.035 62.336 61.300 0.001 0.000 1.401 79 I CB 0.672 38.672 38.000 0.001 0.000 1.343 79 I HN 0.566 nan 8.210 nan 0.000 0.599 80 T N 5.236 119.790 114.554 0.001 0.000 3.337 80 T HA 0.275 4.625 4.350 0.000 0.000 0.299 80 T C -0.958 173.743 174.700 0.001 0.000 0.998 80 T CA -0.475 61.626 62.100 0.001 0.000 0.948 80 T CB -0.202 68.666 68.868 0.001 0.000 1.170 80 T HN 0.736 nan 8.240 nan 0.000 0.508 81 R N -0.677 119.824 120.500 0.001 0.000 4.106 81 R HA 0.235 4.575 4.340 0.000 0.000 0.252 81 R C -3.652 172.649 176.300 0.001 0.000 0.977 81 R CA -1.513 54.588 56.100 0.001 0.000 1.118 81 R CB -0.979 29.321 30.300 0.001 0.000 1.237 81 R HN -0.203 nan 8.270 nan 0.000 0.587 82 P HA -0.152 nan 4.420 nan 0.000 0.261 82 P C 0.557 177.858 177.300 0.001 0.000 1.133 82 P CA 0.873 63.974 63.100 0.001 0.000 0.756 82 P CB 0.498 32.199 31.700 0.001 0.000 0.726 83 T N 1.511 116.065 114.554 0.001 0.000 2.721 83 T HA -0.222 4.128 4.350 0.000 0.000 0.268 83 T C 1.782 176.483 174.700 0.001 0.000 1.038 83 T CA 2.225 64.326 62.100 0.001 0.000 1.145 83 T CB -0.479 68.390 68.868 0.001 0.000 0.858 83 T HN 0.640 nan 8.240 nan 0.000 0.459 84 S N 2.250 117.951 115.700 0.001 0.000 2.371 84 S HA -0.143 4.327 4.470 0.000 0.000 0.224 84 S C 1.749 176.350 174.600 0.001 0.000 1.029 84 S CA 1.501 59.702 58.200 0.001 0.000 0.978 84 S CB -0.574 62.627 63.200 0.001 0.000 0.833 84 S HN 0.755 nan 8.310 nan 0.000 0.466 85 D N 1.027 121.428 120.400 0.001 0.000 2.363 85 D HA 0.061 4.701 4.640 0.000 0.000 0.220 85 D C 1.720 178.021 176.300 0.001 0.000 0.994 85 D CA 0.884 54.885 54.000 0.001 0.000 0.890 85 D CB -0.163 40.638 40.800 0.001 0.000 0.906 85 D HN 0.409 nan 8.370 nan 0.000 0.530 86 S N -0.732 114.969 115.700 0.001 0.000 2.421 86 S HA 0.098 4.568 4.470 0.000 0.000 0.224 86 S C 1.812 176.413 174.600 0.001 0.000 1.035 86 S CA 0.131 58.332 58.200 0.001 0.000 0.953 86 S CB -0.265 62.936 63.200 0.001 0.000 0.810 86 S HN 0.338 nan 8.310 nan 0.000 0.497 87 I N 1.873 122.444 120.570 0.001 0.000 2.394 87 I HA -0.079 4.091 4.170 0.000 0.000 0.251 87 I C 2.718 178.836 176.117 0.001 0.000 1.136 87 I CA 1.014 62.315 61.300 0.001 0.000 1.425 87 I CB -0.461 37.540 38.000 0.001 0.000 1.079 87 I HN 0.335 nan 8.210 nan 0.000 0.425 88 A N 0.922 123.743 122.820 0.001 0.000 1.972 88 A HA -0.100 4.220 4.320 0.000 0.000 0.219 88 A C 2.538 180.123 177.584 0.002 0.000 1.169 88 A CA 1.730 53.768 52.037 0.002 0.000 0.635 88 A CB -0.584 18.417 19.000 0.002 0.000 0.810 88 A HN 0.427 nan 8.150 nan 0.000 0.446 89 A N -0.466 122.355 122.820 0.002 0.000 1.841 89 A HA 0.036 4.356 4.320 0.000 0.000 0.214 89 A C 2.200 179.785 177.584 0.002 0.000 1.195 89 A CA 1.650 53.688 52.037 0.002 0.000 0.611 89 A CB -1.072 17.928 19.000 0.001 0.000 0.835 89 A HN 0.379 nan 8.150 nan 0.000 0.443 90 V N 0.213 120.128 119.914 0.001 0.000 2.282 90 V HA -0.309 3.811 4.120 0.000 0.000 0.249 90 V C 3.073 179.168 176.094 0.002 0.000 1.057 90 V CA 2.181 64.482 62.300 0.001 0.000 1.032 90 V CB -1.416 30.408 31.823 0.001 0.000 0.645 90 V HN 0.633 nan 8.190 nan 0.000 0.447 91 A N 0.223 123.044 122.820 0.002 0.000 1.865 91 A HA -0.268 4.052 4.320 0.000 0.000 0.217 91 A C 2.136 179.721 177.584 0.002 0.000 1.191 91 A CA 2.190 54.228 52.037 0.002 0.000 0.623 91 A CB -0.780 18.221 19.000 0.002 0.000 0.826 91 A HN 0.587 nan 8.150 nan 0.000 0.444 92 N N 0.342 119.043 118.700 0.002 0.000 2.069 92 N HA -0.135 4.605 4.740 0.000 0.000 0.191 92 N C 1.707 177.218 175.510 0.002 0.000 1.031 92 N CA 1.540 54.592 53.050 0.002 0.000 0.852 92 N CB -0.555 37.934 38.487 0.002 0.000 1.018 92 N HN 0.447 nan 8.380 nan 0.000 0.423 93 A N -0.094 122.727 122.820 0.002 0.000 2.277 93 A HA -0.008 4.312 4.320 0.000 0.000 0.208 93 A C 0.199 177.784 177.584 0.002 0.000 1.202 93 A CA 0.816 52.854 52.037 0.002 0.000 0.762 93 A CB -0.232 18.769 19.000 0.002 0.000 0.770 93 A HN 0.196 nan 8.150 nan 0.000 0.487 94 T N 0.274 114.829 114.554 0.002 0.000 3.135 94 T HA 0.432 4.782 4.350 0.000 0.000 0.357 94 T C -0.691 174.010 174.700 0.002 0.000 1.112 94 T CA -0.437 61.664 62.100 0.002 0.000 1.290 94 T CB 0.469 69.338 68.868 0.002 0.000 1.018 94 T HN 0.285 nan 8.240 nan 0.000 0.527 95 K N 2.562 122.963 120.400 0.002 0.000 2.984 95 K HA 0.303 4.623 4.320 0.000 0.000 0.211 95 K C -2.733 173.868 176.600 0.002 0.000 1.174 95 K CA -1.189 55.100 56.287 0.002 0.000 0.978 95 K CB 1.237 33.739 32.500 0.002 0.000 1.212 95 K HN 0.311 nan 8.250 nan 0.000 0.589 96 P HA -0.069 nan 4.420 nan 0.000 0.267 96 P C -0.506 176.795 177.300 0.003 0.000 1.195 96 P CA -0.145 62.957 63.100 0.003 0.000 0.773 96 P CB 0.508 32.210 31.700 0.003 0.000 0.837 97 A N 2.547 125.369 122.820 0.003 0.000 2.505 97 A HA 0.330 4.650 4.320 0.000 0.000 0.271 97 A C 1.696 179.282 177.584 0.003 0.000 1.112 97 A CA 0.341 52.380 52.037 0.003 0.000 0.781 97 A CB -0.526 18.476 19.000 0.003 0.000 1.059 97 A HN 0.669 nan 8.150 nan 0.000 0.508 98 A N 3.152 125.975 122.820 0.004 0.000 1.971 98 A HA 0.048 4.368 4.320 0.000 0.000 0.222 98 A C 0.978 178.565 177.584 0.004 0.000 1.182 98 A CA 2.075 54.114 52.037 0.004 0.000 0.649 98 A CB -0.352 18.651 19.000 0.004 0.000 0.818 98 A HN 1.009 nan 8.150 nan 0.000 0.458 99 V N -0.541 119.375 119.914 0.004 0.000 2.588 99 V HA 0.466 4.586 4.120 0.000 0.000 0.304 99 V C -1.004 175.092 176.094 0.004 0.000 1.042 99 V CA -0.536 61.767 62.300 0.004 0.000 0.877 99 V CB 2.056 33.882 31.823 0.005 0.000 0.996 99 V HN 0.029 nan 8.190 nan 0.000 0.425 100 V N 3.877 123.793 119.914 0.004 0.000 2.327 100 V HA 0.273 4.393 4.120 0.000 0.000 0.272 100 V C 0.369 176.465 176.094 0.003 0.000 1.019 100 V CA -0.623 61.679 62.300 0.003 0.000 0.814 100 V CB 1.703 33.528 31.823 0.003 0.000 1.040 100 V HN 1.025 nan 8.190 nan 0.000 0.440 101 S N 3.301 119.003 115.700 0.004 0.000 2.563 101 S HA 0.330 4.800 4.470 0.000 0.000 0.294 101 S C -0.306 174.296 174.600 0.003 0.000 1.279 101 S CA -0.084 58.118 58.200 0.003 0.000 1.069 101 S CB 0.566 63.768 63.200 0.004 0.000 0.828 101 S HN 0.926 nan 8.310 nan 0.000 0.497 102 D N 2.000 122.402 120.400 0.003 0.000 2.692 102 D HA 0.500 5.140 4.640 0.000 0.000 0.303 102 D C -2.489 173.813 176.300 0.003 0.000 1.278 102 D CA -1.388 52.613 54.000 0.003 0.000 0.852 102 D CB -0.053 40.748 40.800 0.003 0.000 1.375 102 D HN 0.351 nan 8.370 nan 0.000 0.453 103 P HA 0.071 nan 4.420 nan 0.000 0.196 103 P C -0.495 176.807 177.300 0.002 0.000 1.105 103 P CA 0.875 63.976 63.100 0.002 0.000 0.866 103 P CB -0.131 31.570 31.700 0.002 0.000 0.706 104 Q N 0.470 120.271 119.800 0.002 0.000 2.364 104 Q HA 0.412 4.752 4.340 0.000 0.000 0.267 104 Q C -0.271 175.730 176.000 0.002 0.000 0.999 104 Q CA 0.579 56.384 55.803 0.002 0.000 0.886 104 Q CB -0.023 28.716 28.738 0.002 0.000 1.243 104 Q HN 0.292 nan 8.270 nan 0.000 0.415 105 S N 0.604 116.306 115.700 0.002 0.000 3.255 105 S HA 0.034 4.504 4.470 0.000 0.000 0.125 105 S C -0.183 174.418 174.600 0.003 0.000 0.855 105 S CA -0.808 57.394 58.200 0.003 0.000 0.833 105 S CB -0.703 62.499 63.200 0.003 0.000 1.449 105 S HN 0.780 nan 8.310 nan 0.000 0.640 106 M N 2.335 121.936 119.600 0.002 0.000 3.030 106 M HA -0.186 4.294 4.480 0.000 0.000 0.203 106 M C 0.257 176.558 176.300 0.003 0.000 1.343 106 M CA 0.949 56.251 55.300 0.002 0.000 0.818 106 M CB -0.184 32.418 32.600 0.002 0.000 1.304 106 M HN 0.644 nan 8.290 nan 0.000 0.672 107 K N 3.498 123.900 120.400 0.002 0.000 2.447 107 K HA 0.272 4.592 4.320 0.000 0.000 0.281 107 K C -1.305 175.296 176.600 0.002 0.000 1.031 107 K CA -0.183 56.105 56.287 0.003 0.000 1.019 107 K CB 0.576 33.077 32.500 0.002 0.000 0.918 107 K HN 0.492 nan 8.250 nan 0.000 0.476 108 V N 4.819 124.734 119.914 0.003 0.000 2.443 108 V HA 0.116 4.236 4.120 0.000 0.000 0.293 108 V C -0.224 175.871 176.094 0.002 0.000 1.021 108 V CA -0.988 61.313 62.300 0.002 0.000 0.848 108 V CB 1.572 33.397 31.823 0.003 0.000 0.998 108 V HN 0.957 nan 8.190 nan 0.000 0.424 109 T N 5.235 119.790 114.554 0.000 0.000 2.906 109 T HA 0.199 4.549 4.350 0.000 0.000 0.320 109 T C -2.261 172.439 174.700 -0.001 0.000 1.088 109 T CA -0.656 61.444 62.100 -0.001 0.000 1.120 109 T CB -0.071 68.795 68.868 -0.004 0.000 1.000 109 T HN 0.452 nan 8.240 nan 0.000 0.550 110 P HA 0.151 nan 4.420 nan 0.000 0.267 110 P C 0.848 178.146 177.300 -0.004 0.000 1.205 110 P CA -0.432 62.668 63.100 -0.001 0.000 0.765 110 P CB 0.257 31.956 31.700 -0.003 0.000 0.828 111 I N 2.463 123.033 120.570 -0.000 0.000 2.850 111 I HA -0.086 4.084 4.170 0.000 0.000 0.266 111 I C 0.896 177.010 176.117 -0.005 0.000 1.257 111 I CA 1.382 62.681 61.300 -0.001 0.000 1.465 111 I CB -0.955 37.047 38.000 0.003 0.000 1.091 111 I HN 0.121 nan 8.210 nan 0.000 0.467 112 V N -1.790 118.119 119.914 -0.009 0.000 2.498 112 V HA 0.377 4.497 4.120 0.000 0.000 0.283 112 V C -0.031 176.035 176.094 -0.047 0.000 1.015 112 V CA -1.152 61.136 62.300 -0.020 0.000 0.867 112 V CB 0.379 32.199 31.823 -0.005 0.000 1.025 112 V HN 0.163 nan 8.190 nan 0.000 0.441 113 N N 7.215 125.878 118.700 -0.061 0.000 2.202 113 N HA -0.024 4.716 4.740 0.000 0.000 0.283 113 N C -1.167 174.245 175.510 -0.164 0.000 1.391 113 N CA 0.094 53.090 53.050 -0.089 0.000 0.910 113 N CB 0.878 39.313 38.487 -0.086 0.000 1.267 113 N HN 0.662 nan 8.380 nan 0.000 0.493 114 P HA -0.147 nan 4.420 nan 0.000 0.225 114 P C 1.267 178.415 177.300 -0.253 0.000 1.148 114 P CA 0.770 63.770 63.100 -0.167 0.000 0.779 114 P CB 0.377 32.063 31.700 -0.024 0.000 0.780 115 S N 0.551 116.141 115.700 -0.183 0.000 2.354 115 S HA -0.076 4.394 4.470 0.000 0.000 0.219 115 S C 1.204 175.684 174.600 -0.201 0.000 1.035 115 S CA 1.560 59.683 58.200 -0.129 0.000 1.037 115 S CB -0.626 62.526 63.200 -0.080 0.000 0.956 115 S HN 0.475 nan 8.310 nan 0.000 0.428 116 S N -0.978 114.549 115.700 -0.287 0.000 2.718 116 S HA 0.677 5.147 4.470 0.000 0.000 0.300 116 S C -1.411 172.879 174.600 -0.516 0.000 1.117 116 S CA -0.762 57.293 58.200 -0.242 0.000 1.002 116 S CB 1.021 64.161 63.200 -0.099 0.000 1.092 116 S HN 0.391 nan 8.310 nan 0.000 0.542 117 Y N 0.483 120.837 120.300 0.089 0.000 2.349 117 Y HA 0.440 4.990 4.550 0.000 0.000 0.324 117 Y C 0.112 176.082 175.900 0.117 0.000 1.005 117 Y CA -1.130 57.039 58.100 0.116 0.000 1.240 117 Y CB 1.649 40.211 38.460 0.171 0.000 1.117 117 Y HN 0.747 nan 8.280 nan 0.000 0.463 118 V N 0.311 120.316 119.914 0.151 0.000 2.649 118 V HA 0.333 4.453 4.120 0.000 0.000 0.292 118 V C 0.399 176.547 176.094 0.089 0.000 1.055 118 V CA -1.078 61.266 62.300 0.072 0.000 1.023 118 V CB 1.075 32.908 31.823 0.017 0.000 0.992 118 V HN 0.958 nan 8.190 nan 0.000 0.480 119 C N 5.289 124.594 119.300 0.009 0.000 2.576 119 C HA 0.383 4.843 4.460 0.000 0.000 0.401 119 C C 1.561 176.489 174.990 -0.102 0.000 1.314 119 C CA 0.080 59.049 59.018 -0.082 0.000 1.855 119 C CB -0.996 26.564 27.740 -0.301 0.000 2.537 119 C HN 1.076 nan 8.230 nan 0.000 0.578 120 N N 2.452 121.093 118.700 -0.099 0.000 2.376 120 N HA -0.032 4.708 4.740 0.000 0.000 0.177 120 N C 1.598 177.021 175.510 -0.144 0.000 1.024 120 N CA 1.092 54.093 53.050 -0.082 0.000 0.893 120 N CB 0.169 38.632 38.487 -0.040 0.000 0.980 120 N HN 0.687 nan 8.380 nan 0.000 0.439 121 V N 0.223 119.956 119.914 -0.301 0.000 2.255 121 V HA -0.178 3.942 4.120 0.000 0.000 0.243 121 V C 2.151 178.055 176.094 -0.316 0.000 1.038 121 V CA 1.565 63.616 62.300 -0.415 0.000 1.008 121 V CB -1.054 30.176 31.823 -0.988 0.000 0.645 121 V HN 0.518 nan 8.190 nan 0.000 0.449 122 C N -0.615 118.462 119.300 -0.372 0.000 5.030 122 C HA 0.478 4.938 4.460 0.000 0.000 0.176 122 C C 1.495 176.439 174.990 -0.077 0.000 2.118 122 C CA 0.691 59.651 59.018 -0.096 0.000 1.390 122 C CB -0.042 27.756 27.740 0.097 0.000 1.902 122 C HN 0.565 nan 8.230 nan 0.000 0.488 123 N N -0.678 117.971 118.700 -0.085 0.000 2.032 123 N HA 0.077 4.817 4.740 0.000 0.000 0.240 123 N C -0.297 175.158 175.510 -0.092 0.000 1.470 123 N CA 0.596 53.602 53.050 -0.074 0.000 1.093 123 N CB -0.759 37.696 38.487 -0.055 0.000 1.157 123 N HN 0.847 nan 8.380 nan 0.000 0.691 124 A N 2.401 125.176 122.820 -0.076 0.000 2.507 124 A HA 0.208 4.528 4.320 0.000 0.000 0.281 124 A C 0.961 178.309 177.584 -0.393 0.000 1.154 124 A CA -0.046 51.911 52.037 -0.133 0.000 0.828 124 A CB -0.540 18.531 19.000 0.118 0.000 1.069 124 A HN 0.309 nan 8.150 nan 0.000 0.522 125 R N 1.223 121.515 120.500 -0.347 0.000 2.801 125 R HA 0.622 4.962 4.340 0.000 0.000 0.273 125 R C -1.230 174.711 176.300 -0.599 0.000 1.080 125 R CA -0.065 55.857 56.100 -0.296 0.000 1.197 125 R CB 0.353 30.580 30.300 -0.122 0.000 1.109 125 R HN 0.336 nan 8.270 nan 0.000 0.535 126 F N -1.492 118.554 119.950 0.160 0.000 2.613 126 F HA 0.292 4.819 4.527 0.000 0.000 0.310 126 F C 0.847 176.781 175.800 0.223 0.000 1.085 126 F CA -0.854 57.248 58.000 0.171 0.000 0.945 126 F CB 2.417 41.516 39.000 0.166 0.000 1.298 126 F HN 0.594 nan 8.300 nan 0.000 0.455 127 S N -0.328 115.601 115.700 0.382 0.000 2.335 127 S HA -0.051 4.419 4.470 0.000 0.000 0.216 127 S C 0.601 175.432 174.600 0.385 0.000 1.032 127 S CA 1.162 59.532 58.200 0.284 0.000 1.000 127 S CB -0.175 63.137 63.200 0.186 0.000 0.928 127 S HN 0.621 nan 8.310 nan 0.000 0.434 128 T N 2.183 116.888 114.554 0.251 0.000 2.829 128 T HA 0.302 4.652 4.350 0.000 0.000 0.282 128 T C 1.000 175.536 174.700 -0.273 0.000 0.990 128 T CA -0.414 61.739 62.100 0.087 0.000 1.028 128 T CB 1.420 70.298 68.868 0.018 0.000 0.951 128 T HN 0.312 nan 8.240 nan 0.000 0.460 129 M N 2.960 122.008 119.600 -0.921 0.000 2.128 129 M HA -0.205 4.275 4.480 0.000 0.000 0.253 129 M C 2.293 178.312 176.300 -0.469 0.000 1.079 129 M CA 2.392 57.014 55.300 -1.129 0.000 1.082 129 M CB -0.443 31.642 32.600 -0.858 0.000 1.335 129 M HN 0.624 nan 8.290 nan 0.000 0.401 130 S N 0.147 115.664 115.700 -0.304 0.000 2.359 130 S HA -0.187 4.283 4.470 0.000 0.000 0.223 130 S C 2.007 176.455 174.600 -0.253 0.000 1.039 130 S CA 1.973 60.047 58.200 -0.210 0.000 1.042 130 S CB -0.566 62.551 63.200 -0.138 0.000 0.915 130 S HN 0.744 nan 8.310 nan 0.000 0.439 131 A N 0.734 123.389 122.820 -0.275 0.000 2.024 131 A HA -0.004 4.316 4.320 0.000 0.000 0.220 131 A C 2.079 179.063 177.584 -0.999 0.000 1.164 131 A CA 1.570 53.323 52.037 -0.473 0.000 0.643 131 A CB -0.675 18.163 19.000 -0.269 0.000 0.806 131 A HN 0.594 nan 8.150 nan 0.000 0.451 132 L N -0.562 120.273 121.223 -0.647 0.000 2.395 132 L HA 0.054 4.394 4.340 0.000 0.000 0.218 132 L C 2.178 178.915 176.870 -0.222 0.000 1.130 132 L CA 1.907 56.495 54.840 -0.421 0.000 0.826 132 L CB -0.417 41.691 42.059 0.082 0.000 0.941 132 L HN 0.231 nan 8.230 nan 0.000 0.451 133 S N -0.471 115.092 115.700 -0.228 0.000 2.428 133 S HA -0.079 4.391 4.470 0.000 0.000 0.230 133 S C 1.681 176.222 174.600 -0.098 0.000 1.014 133 S CA 0.864 58.992 58.200 -0.120 0.000 0.957 133 S CB -0.116 63.014 63.200 -0.116 0.000 0.784 133 S HN 0.436 nan 8.310 nan 0.000 0.499 134 E N 0.664 120.753 120.200 -0.187 0.000 2.107 134 E HA -0.061 4.289 4.350 0.000 0.000 0.191 134 E C 1.815 178.393 176.600 -0.036 0.000 0.982 134 E CA 0.776 57.095 56.400 -0.135 0.000 0.809 134 E CB -0.440 29.139 29.700 -0.202 0.000 0.756 134 E HN 0.454 nan 8.360 nan 0.000 0.459 135 H N 0.435 119.425 119.070 -0.132 0.000 2.357 135 H HA 0.049 4.605 4.556 0.000 0.000 0.301 135 H C 1.822 177.253 175.328 0.172 0.000 1.082 135 H CA 1.157 57.282 56.048 0.129 0.000 1.342 135 H CB -0.104 29.932 29.762 0.458 0.000 1.389 135 H HN 0.118 nan 8.280 nan 0.000 0.511 136 L N -0.200 121.203 121.223 0.300 0.000 2.291 136 L HA -0.007 4.333 4.340 0.000 0.000 0.214 136 L C 2.750 179.710 176.870 0.150 0.000 1.120 136 L CA 0.790 55.763 54.840 0.221 0.000 0.799 136 L CB -0.182 41.944 42.059 0.111 0.000 0.925 136 L HN 0.110 nan 8.230 nan 0.000 0.446 137 R N -0.578 119.978 120.500 0.093 0.000 2.128 137 R HA 0.022 4.362 4.340 0.000 0.000 0.211 137 R C 2.001 178.332 176.300 0.051 0.000 1.067 137 R CA 0.795 56.927 56.100 0.052 0.000 1.010 137 R CB 0.291 30.598 30.300 0.012 0.000 0.922 137 R HN 0.197 nan 8.270 nan 0.000 0.457 138 S N 0.463 116.193 115.700 0.049 0.000 2.356 138 S HA -0.061 4.409 4.470 0.000 0.000 0.179 138 S C 1.190 175.799 174.600 0.016 0.000 0.940 138 S CA 0.692 58.904 58.200 0.019 0.000 0.955 138 S CB -0.597 62.592 63.200 -0.018 0.000 0.861 138 S HN 0.297 nan 8.310 nan 0.000 0.527 139 D N 0.817 121.208 120.400 -0.014 0.000 2.157 139 D HA -0.168 4.472 4.640 0.000 0.000 0.191 139 D C 0.146 176.308 176.300 -0.230 0.000 1.004 139 D CA 1.351 55.274 54.000 -0.129 0.000 0.854 139 D CB -0.067 40.636 40.800 -0.162 0.000 0.936 139 D HN 0.454 nan 8.370 nan 0.000 0.446 140 H N -0.887 118.294 119.070 0.184 0.000 2.628 140 H HA 0.555 5.111 4.556 0.000 0.000 0.250 140 H C -0.302 175.075 175.328 0.081 0.000 1.442 140 H CA -0.606 55.513 56.048 0.118 0.000 1.282 140 H CB 0.757 30.578 29.762 0.098 0.000 1.487 140 H HN -0.096 nan 8.280 nan 0.000 0.544 156 A N 1.864 124.500 122.820 -0.307 0.000 1.873 156 A HA -0.051 4.269 4.320 0.000 0.000 0.218 156 A C 0.821 178.128 177.584 -0.461 0.000 1.193 156 A CA 1.282 52.810 52.037 -0.849 0.000 0.629 156 A CB -0.071 17.777 19.000 -1.921 0.000 0.826 156 A HN 0.506 nan 8.150 nan 0.000 0.447 157 I N -0.564 119.862 120.570 -0.240 0.000 2.412 157 I HA 0.310 4.480 4.170 0.000 0.000 0.296 157 I C 1.157 177.197 176.117 -0.129 0.000 0.987 157 I CA -0.352 60.837 61.300 -0.185 0.000 1.180 157 I CB 1.520 39.438 38.000 -0.136 0.000 1.340 157 I HN 0.510 nan 8.210 nan 0.000 0.455 158 R N 3.312 123.727 120.500 -0.140 0.000 2.191 158 R HA 0.284 4.624 4.340 0.000 0.000 0.196 158 R C 0.475 176.733 176.300 -0.070 0.000 0.991 158 R CA 0.027 56.079 56.100 -0.080 0.000 1.075 158 R CB 0.130 30.397 30.300 -0.055 0.000 1.040 158 R HN 0.641 nan 8.270 nan 0.000 0.526 159 S N -0.911 114.713 115.700 -0.127 0.000 2.705 159 S HA 0.656 5.126 4.470 0.000 0.000 0.280 159 S C -1.190 173.336 174.600 -0.122 0.000 1.174 159 S CA -0.868 57.299 58.200 -0.056 0.000 0.823 159 S CB 1.741 64.940 63.200 -0.002 0.000 1.162 159 S HN 0.089 nan 8.310 nan 0.000 0.487 160 F N 0.718 120.672 119.950 0.006 0.000 3.256 160 F HA 0.348 4.875 4.527 0.000 0.000 0.406 160 F C -0.733 175.011 175.800 -0.094 0.000 1.157 160 F CA -0.897 57.091 58.000 -0.020 0.000 1.278 160 F CB 0.821 39.828 39.000 0.011 0.000 2.424 160 F HN 0.719 nan 8.300 nan 0.000 0.675 161 L N 3.877 125.163 121.223 0.106 0.000 2.678 161 L HA 0.150 4.490 4.340 0.000 0.000 0.276 161 L C 0.745 177.493 176.870 -0.203 0.000 1.142 161 L CA 0.253 55.057 54.840 -0.060 0.000 0.961 161 L CB 0.092 42.114 42.059 -0.061 0.000 1.291 161 L HN 0.614 nan 8.230 nan 0.000 0.476 162 T N 1.918 116.241 114.554 -0.386 0.000 2.870 162 T HA 0.296 4.646 4.350 0.000 0.000 0.300 162 T C 1.297 175.534 174.700 -0.771 0.000 0.989 162 T CA -0.217 61.421 62.100 -0.770 0.000 1.139 162 T CB 1.608 69.631 68.868 -1.408 0.000 0.920 162 T HN 0.698 nan 8.240 nan 0.000 0.537 163 A N 3.548 125.990 122.820 -0.630 0.000 1.877 163 A HA -0.023 4.297 4.320 0.000 0.000 0.216 163 A C 1.908 179.374 177.584 -0.197 0.000 1.186 163 A CA 1.632 53.464 52.037 -0.343 0.000 0.620 163 A CB -1.219 17.631 19.000 -0.250 0.000 0.822 163 A HN 1.152 nan 8.150 nan 0.000 0.443 164 W N -0.193 121.077 121.300 -0.050 0.000 2.409 164 W HA 0.025 4.685 4.660 0.000 0.000 0.299 164 W C 1.190 177.677 176.519 -0.053 0.000 1.203 164 W CA 1.301 58.623 57.345 -0.039 0.000 1.298 164 W CB -0.645 28.784 29.460 -0.051 0.000 1.127 164 W HN 0.292 nan 8.180 nan 0.000 0.528 165 D N 0.321 119.950 120.400 -1.285 0.000 2.327 165 D HA -0.097 4.543 4.640 0.000 0.000 0.205 165 D C 0.263 176.309 176.300 -0.422 0.000 0.989 165 D CA 1.476 55.064 54.000 -0.687 0.000 0.873 165 D CB -0.145 40.209 40.800 -0.744 0.000 0.955 165 D HN 0.153 nan 8.370 nan 0.000 0.515 166 D N 0.454 120.567 120.400 -0.478 0.000 2.737 166 D HA -0.228 4.412 4.640 0.000 0.000 0.238 166 D C -0.133 176.035 176.300 -0.219 0.000 1.157 166 D CA 0.587 54.414 54.000 -0.288 0.000 0.694 166 D CB -2.292 38.399 40.800 -0.183 0.000 1.021 166 D HN 0.556 nan 8.370 nan 0.000 0.420 167 I N -3.944 116.480 120.570 -0.244 0.000 2.503 167 I HA 0.341 4.511 4.170 0.000 0.000 0.282 167 I C 0.073 176.125 176.117 -0.108 0.000 1.059 167 I CA -1.148 60.064 61.300 -0.147 0.000 1.081 167 I CB 1.520 39.445 38.000 -0.125 0.000 1.210 167 I HN -0.214 nan 8.210 nan 0.000 0.450 168 R N 6.504 126.967 120.500 -0.062 0.000 2.637 168 R HA 0.267 4.607 4.340 0.000 0.000 0.331 168 R C -0.419 175.891 176.300 0.017 0.000 1.166 168 R CA 0.121 56.213 56.100 -0.013 0.000 0.993 168 R CB -0.154 30.145 30.300 -0.002 0.000 1.012 168 R HN 0.662 nan 8.270 nan 0.000 0.461 169 I N 5.041 125.642 120.570 0.052 0.000 2.406 169 I HA -0.020 4.150 4.170 0.000 0.000 0.293 169 I C 0.141 176.315 176.117 0.095 0.000 1.101 169 I CA -0.263 61.087 61.300 0.082 0.000 1.334 169 I CB 0.080 38.157 38.000 0.128 0.000 1.421 169 I HN 0.179 nan 8.210 nan 0.000 0.513 170 L N 5.804 127.060 121.223 0.055 0.000 2.418 170 L HA 0.248 4.588 4.340 0.000 0.000 0.265 170 L C 0.825 177.721 176.870 0.043 0.000 1.143 170 L CA 0.258 55.121 54.840 0.038 0.000 0.809 170 L CB 1.320 43.390 42.059 0.018 0.000 1.124 170 L HN 0.687 nan 8.230 nan 0.000 0.456 171 S N 2.547 118.263 115.700 0.026 0.000 2.585 171 S HA 0.472 4.942 4.470 0.000 0.000 0.273 171 S C -1.962 172.648 174.600 0.018 0.000 1.339 171 S CA -1.033 57.182 58.200 0.025 0.000 1.028 171 S CB 0.101 63.303 63.200 0.004 0.000 0.906 171 S HN 0.562 nan 8.310 nan 0.000 0.528 185 S N -0.143 115.543 115.700 -0.024 0.000 2.551 185 S HA 0.655 5.125 4.470 0.000 0.000 0.325 185 S C -0.129 174.456 174.600 -0.026 0.000 0.963 185 S CA -0.544 57.636 58.200 -0.034 0.000 0.876 185 S CB 0.358 63.523 63.200 -0.058 0.000 1.132 185 S HN 0.575 nan 8.310 nan 0.000 0.458 186 A N 2.396 125.206 122.820 -0.016 0.000 2.327 186 A HA 0.711 5.031 4.320 0.000 0.000 0.255 186 A C 0.308 177.884 177.584 -0.013 0.000 1.099 186 A CA -0.585 51.447 52.037 -0.008 0.000 0.801 186 A CB 0.247 19.249 19.000 0.003 0.000 1.062 186 A HN 1.456 nan 8.150 nan 0.000 0.496 187 V N 1.642 121.552 119.914 -0.006 0.000 2.387 187 V HA 0.332 4.452 4.120 0.000 0.000 0.260 187 V C 1.022 177.117 176.094 0.001 0.000 1.054 187 V CA 0.146 62.442 62.300 -0.006 0.000 0.967 187 V CB 0.036 31.858 31.823 -0.001 0.000 1.036 187 V HN 1.013 nan 8.190 nan 0.000 0.481 188 A N 6.537 129.354 122.820 -0.004 0.000 2.526 188 A HA 0.193 4.513 4.320 0.000 0.000 0.267 188 A C 0.762 178.358 177.584 0.021 0.000 1.095 188 A CA -0.088 51.956 52.037 0.012 0.000 0.775 188 A CB -0.450 18.554 19.000 0.007 0.000 1.036 188 A HN 0.934 nan 8.150 nan 0.000 0.510 189 N N 2.538 121.257 118.700 0.033 0.000 2.491 189 N HA 0.589 5.329 4.740 0.000 0.000 0.279 189 N C 0.247 175.788 175.510 0.053 0.000 1.236 189 N CA 0.088 53.161 53.050 0.039 0.000 0.982 189 N CB 0.843 39.354 38.487 0.040 0.000 1.194 189 N HN 0.420 nan 8.380 nan 0.000 0.582 190 G N -0.816 108.021 108.800 0.061 0.000 2.451 190 G HA2 0.463 4.423 3.960 0.000 0.000 0.303 190 G HA3 0.463 4.423 3.960 0.000 0.000 0.303 190 G C -2.528 172.429 174.900 0.095 0.000 1.166 190 G CA -1.252 43.894 45.100 0.077 0.000 0.884 190 G HN 0.589 nan 8.290 nan 0.000 0.514 191 P HA 0.155 nan 4.420 nan 0.000 0.280 191 P C -0.239 177.183 177.300 0.203 0.000 1.244 191 P CA -0.329 62.862 63.100 0.151 0.000 0.784 191 P CB 1.659 33.387 31.700 0.047 0.000 0.913 192 E N 2.976 123.335 120.200 0.265 0.000 2.443 192 E HA 0.025 4.375 4.350 0.000 0.000 0.310 192 E C 0.836 177.624 176.600 0.313 0.000 1.202 192 E CA -0.104 56.426 56.400 0.217 0.000 1.301 192 E CB -0.573 29.216 29.700 0.148 0.000 1.104 192 E HN 0.453 nan 8.360 nan 0.000 0.487 193 L N 2.150 123.539 121.223 0.276 0.000 2.549 193 L HA 0.007 4.347 4.340 0.000 0.000 0.229 193 L C 0.731 177.774 176.870 0.289 0.000 1.158 193 L CA 0.750 55.785 54.840 0.325 0.000 0.842 193 L CB -0.061 42.105 42.059 0.178 0.000 0.952 193 L HN 0.415 nan 8.230 nan 0.000 0.452 194 I N 0.405 121.072 120.570 0.162 0.000 2.517 194 I HA 0.325 4.495 4.170 0.000 0.000 0.280 194 I C -0.603 175.557 176.117 0.071 0.000 1.061 194 I CA -0.105 61.250 61.300 0.091 0.000 1.091 194 I CB 1.618 39.536 38.000 -0.137 0.000 1.205 194 I HN -0.089 nan 8.210 nan 0.000 0.459 195 I N 5.900 126.564 120.570 0.157 0.000 2.646 195 I HA 0.523 4.693 4.170 0.000 0.000 0.299 195 I C -0.642 175.551 176.117 0.126 0.000 1.036 195 I CA -0.499 60.854 61.300 0.089 0.000 1.074 195 I CB 2.408 40.430 38.000 0.037 0.000 1.258 195 I HN 0.566 nan 8.210 nan 0.000 0.430 196 E N 4.074 124.322 120.200 0.081 0.000 2.381 196 E HA 0.373 4.723 4.350 0.000 0.000 0.286 196 E C -2.231 174.399 176.600 0.050 0.000 0.960 196 E CA -0.964 55.492 56.400 0.094 0.000 0.793 196 E CB 2.237 32.015 29.700 0.129 0.000 1.225 196 E HN 0.586 nan 8.360 nan 0.000 0.420 197 D N 2.208 122.629 120.400 0.036 0.000 2.780 197 D HA 0.124 4.764 4.640 0.000 0.000 0.242 197 D C 0.361 176.667 176.300 0.010 0.000 1.135 197 D CA -0.728 53.277 54.000 0.008 0.000 0.859 197 D CB 2.070 42.855 40.800 -0.025 0.000 1.530 197 D HN 0.528 nan 8.370 nan 0.000 0.493 198 T N -0.872 113.689 114.554 0.011 0.000 3.129 198 T HA 0.222 4.572 4.350 0.000 0.000 0.251 198 T C 1.034 175.780 174.700 0.076 0.000 1.117 198 T CA 0.075 62.180 62.100 0.008 0.000 1.034 198 T CB -0.110 68.746 68.868 -0.019 0.000 0.968 198 T HN 0.489 nan 8.240 nan 0.000 0.526 199 G N 1.224 110.056 108.800 0.053 0.000 2.580 199 G HA2 0.547 4.507 3.960 0.000 0.000 0.278 199 G HA3 0.547 4.507 3.960 0.000 0.000 0.278 199 G C -0.168 174.705 174.900 -0.045 0.000 1.212 199 G CA -1.121 44.005 45.100 0.043 0.000 0.939 199 G HN 0.530 nan 8.290 nan 0.000 0.513 200 L N -0.319 120.781 121.223 -0.205 0.000 2.653 200 L HA -0.062 4.278 4.340 0.000 0.000 0.288 200 L C 1.228 177.953 176.870 -0.242 0.000 1.243 200 L CA -0.253 54.436 54.840 -0.252 0.000 0.906 200 L CB 0.171 41.957 42.059 -0.454 0.000 1.154 200 L HN 0.495 nan 8.230 nan 0.000 0.498 201 C N 5.256 124.479 119.300 -0.128 0.000 2.896 201 C HA 0.346 4.806 4.460 0.000 0.000 0.499 201 C C 0.844 175.803 174.990 -0.052 0.000 1.022 201 C CA -0.039 58.931 59.018 -0.079 0.000 1.127 201 C CB -2.141 25.586 27.740 -0.021 0.000 1.452 201 C HN 0.865 nan 8.230 nan 0.000 0.580 202 T N -0.079 114.407 114.554 -0.114 0.000 2.843 202 T HA 0.671 5.021 4.350 0.000 0.000 0.302 202 T C -0.058 174.701 174.700 0.097 0.000 1.232 202 T CA 0.086 62.222 62.100 0.060 0.000 1.009 202 T CB 1.535 70.529 68.868 0.209 0.000 1.254 202 T HN 0.844 nan 8.240 nan 0.000 0.504 203 S N -0.463 115.441 115.700 0.340 0.000 3.078 203 S HA 0.397 4.867 4.470 0.000 0.000 0.248 203 S C -1.001 173.555 174.600 -0.074 0.000 0.857 203 S CA -0.676 57.661 58.200 0.227 0.000 1.139 203 S CB -0.531 62.670 63.200 0.001 0.000 1.186 203 S HN 0.566 nan 8.310 nan 0.000 0.567 204 F N 3.099 123.207 119.950 0.264 0.000 2.959 204 F HA 0.491 5.018 4.527 0.000 0.000 0.379 204 F C -0.060 175.633 175.800 -0.178 0.000 1.215 204 F CA -0.936 57.055 58.000 -0.015 0.000 1.190 204 F CB 1.391 40.376 39.000 -0.025 0.000 1.574 204 F HN 0.298 nan 8.300 nan 0.000 0.575 205 M N 1.235 120.520 119.600 -0.526 0.000 2.227 205 M HA 0.544 5.024 4.480 0.000 0.000 0.316 205 M C -0.595 175.366 176.300 -0.565 0.000 1.144 205 M CA -0.195 54.507 55.300 -0.996 0.000 1.121 205 M CB 1.088 32.582 32.600 -1.843 0.000 1.440 205 M HN 0.388 nan 8.290 nan 0.000 0.473 206 L N 3.532 124.420 121.223 -0.558 0.000 2.865 206 L HA 0.373 4.713 4.340 0.000 0.000 0.233 206 L C -0.161 176.488 176.870 -0.368 0.000 1.320 206 L CA -0.598 53.950 54.840 -0.486 0.000 1.225 206 L CB -0.525 41.157 42.059 -0.628 0.000 1.542 206 L HN 0.726 nan 8.230 nan 0.000 0.432 207 L N 0.846 121.864 121.223 -0.341 0.000 2.499 207 L HA 0.147 4.487 4.340 0.000 0.000 0.273 207 L C 0.376 177.154 176.870 -0.154 0.000 1.195 207 L CA -0.189 54.505 54.840 -0.243 0.000 0.882 207 L CB 0.539 42.467 42.059 -0.220 0.000 1.133 207 L HN 0.389 nan 8.230 nan 0.000 0.483 208 D N 3.260 123.590 120.400 -0.117 0.000 2.264 208 D HA 0.074 4.714 4.640 0.000 0.000 0.249 208 D C -0.435 175.819 176.300 -0.077 0.000 1.070 208 D CA -0.572 53.380 54.000 -0.080 0.000 0.912 208 D CB 1.471 42.231 40.800 -0.066 0.000 1.193 208 D HN 0.667 nan 8.370 nan 0.000 0.427 209 N N 0.939 119.586 118.700 -0.089 0.000 2.433 209 N HA 0.052 4.792 4.740 0.000 0.000 0.213 209 N C 0.374 175.826 175.510 -0.096 0.000 1.032 209 N CA 0.266 53.264 53.050 -0.086 0.000 1.047 209 N CB 0.073 38.493 38.487 -0.111 0.000 1.293 209 N HN 0.483 nan 8.380 nan 0.000 0.524 210 I N 3.552 124.013 120.570 -0.181 0.000 2.379 210 I HA 0.267 4.437 4.170 0.000 0.000 0.290 210 I C -2.125 173.940 176.117 -0.086 0.000 1.063 210 I CA -2.451 58.768 61.300 -0.136 0.000 1.351 210 I CB -0.163 37.698 38.000 -0.233 0.000 1.410 210 I HN -0.063 nan 8.210 nan 0.000 0.505 211 P HA 0.002 nan 4.420 nan 0.000 0.268 211 P C 0.130 177.407 177.300 -0.038 0.000 1.208 211 P CA 0.048 63.126 63.100 -0.038 0.000 0.777 211 P CB 0.577 32.270 31.700 -0.011 0.000 0.875 212 S N 1.728 117.389 115.700 -0.066 0.000 2.565 212 S HA 0.340 4.810 4.470 0.000 0.000 0.276 212 S C 0.691 175.273 174.600 -0.030 0.000 1.326 212 S CA -0.434 57.731 58.200 -0.057 0.000 1.045 212 S CB -0.282 62.867 63.200 -0.085 0.000 0.918 212 S HN 0.443 nan 8.310 nan 0.000 0.505 213 A N 4.403 127.253 122.820 0.050 0.000 2.711 213 A HA 0.253 4.573 4.320 0.000 0.000 0.242 213 A C 0.169 177.878 177.584 0.209 0.000 1.607 213 A CA -0.120 52.005 52.037 0.146 0.000 1.370 213 A CB -1.472 17.609 19.000 0.135 0.000 0.934 213 A HN 1.115 nan 8.150 nan 0.000 0.628 214 H N -1.101 117.993 119.070 0.039 0.000 2.425 214 H HA -0.156 4.400 4.556 0.000 0.000 0.304 214 H C 0.253 175.611 175.328 0.051 0.000 0.891 214 H CA 0.634 56.704 56.048 0.037 0.000 0.999 214 H CB -1.219 28.561 29.762 0.029 0.000 1.601 214 H HN 0.461 nan 8.280 nan 0.000 0.319 215 L N 1.154 122.444 121.223 0.111 0.000 2.479 215 L HA 0.268 4.608 4.340 0.000 0.000 0.249 215 L C 1.176 178.102 176.870 0.094 0.000 1.178 215 L CA 0.023 54.933 54.840 0.116 0.000 0.811 215 L CB 0.684 42.791 42.059 0.081 0.000 1.187 215 L HN 0.618 nan 8.230 nan 0.000 0.480 216 T N -1.700 112.906 114.554 0.087 0.000 3.151 216 T HA 0.162 4.512 4.350 0.000 0.000 0.332 216 T C 1.009 175.733 174.700 0.040 0.000 1.245 216 T CA -0.843 61.294 62.100 0.062 0.000 1.019 216 T CB 0.559 69.462 68.868 0.058 0.000 1.109 216 T HN 0.393 nan 8.240 nan 0.000 0.621 217 K N 1.853 122.269 120.400 0.028 0.000 2.528 217 K HA -0.392 3.928 4.320 0.000 0.000 0.204 217 K C 1.347 177.945 176.600 -0.002 0.000 0.852 217 K CA 2.471 58.762 56.287 0.008 0.000 0.955 217 K CB -0.811 31.691 32.500 0.003 0.000 1.245 217 K HN 0.937 nan 8.250 nan 0.000 0.546 218 E N -1.208 118.993 120.200 0.002 0.000 3.387 218 E HA -0.258 4.092 4.350 0.000 0.000 0.321 218 E C -0.284 176.303 176.600 -0.022 0.000 1.312 218 E CA 1.684 58.081 56.400 -0.005 0.000 1.632 218 E CB -1.443 28.254 29.700 -0.005 0.000 1.680 218 E HN 0.157 nan 8.360 nan 0.000 0.435 219 L N 2.406 123.606 121.223 -0.040 0.000 2.369 219 L HA 0.463 4.803 4.340 0.000 0.000 0.279 219 L C 0.341 177.160 176.870 -0.084 0.000 1.108 219 L CA 0.251 55.049 54.840 -0.070 0.000 0.852 219 L CB -0.143 41.859 42.059 -0.095 0.000 1.169 219 L HN 0.411 nan 8.230 nan 0.000 0.452 220 I N 3.132 123.655 120.570 -0.079 0.000 4.088 220 I HA 0.464 4.634 4.170 0.000 0.000 0.239 220 I C 1.303 177.345 176.117 -0.125 0.000 1.479 220 I CA -0.638 60.621 61.300 -0.068 0.000 0.897 220 I CB -0.075 37.909 38.000 -0.027 0.000 1.709 220 I HN 0.656 nan 8.210 nan 0.000 0.750 221 G N 0.053 108.817 108.800 -0.060 0.000 2.699 221 G HA2 0.255 4.215 3.960 0.000 0.000 0.246 221 G HA3 0.255 4.215 3.960 0.000 0.000 0.246 221 G C -0.573 174.299 174.900 -0.046 0.000 1.219 221 G CA -0.384 44.693 45.100 -0.039 0.000 0.866 221 G HN 0.212 nan 8.290 nan 0.000 0.572 222 F N -1.015 119.010 119.950 0.125 0.000 2.535 222 F HA 0.282 4.809 4.527 0.000 0.000 0.332 222 F C 1.423 177.346 175.800 0.204 0.000 1.208 222 F CA 0.294 58.375 58.000 0.135 0.000 1.330 222 F CB 0.684 39.752 39.000 0.114 0.000 1.167 222 F HN 0.142 nan 8.300 nan 0.000 0.597 223 T N 2.437 117.215 114.554 0.373 0.000 3.154 223 T HA 0.048 4.398 4.350 0.000 0.000 0.381 223 T C -0.805 174.084 174.700 0.314 0.000 1.368 223 T CA -0.410 61.875 62.100 0.309 0.000 1.155 223 T CB -0.136 68.835 68.868 0.172 0.000 1.120 223 T HN 0.520 nan 8.240 nan 0.000 0.570 224 W N 5.543 126.973 121.300 0.218 0.000 2.446 224 W HA 0.220 4.880 4.660 0.000 0.000 0.316 224 W C 0.127 176.733 176.519 0.144 0.000 1.376 224 W CA -0.613 56.743 57.345 0.018 0.000 1.300 224 W CB -0.299 29.119 29.460 -0.070 0.000 1.351 224 W HN 0.839 nan 8.180 nan 0.000 0.530 225 F N 2.235 121.835 119.950 -0.583 0.000 2.340 225 F HA -0.557 3.970 4.527 0.000 0.000 0.593 225 F C 1.644 177.348 175.800 -0.160 0.000 0.873 225 F CA 1.980 59.703 58.000 -0.462 0.000 1.389 225 F CB -1.289 37.356 39.000 -0.591 0.000 1.302 225 F HN 0.385 nan 8.300 nan 0.000 0.245 226 M N -0.325 119.378 119.600 0.173 0.000 2.940 226 M HA 0.168 4.648 4.480 0.000 0.000 0.248 226 M C 0.429 176.814 176.300 0.141 0.000 1.379 226 M CA 1.199 56.568 55.300 0.114 0.000 1.262 226 M CB -0.560 32.084 32.600 0.074 0.000 1.201 226 M HN 0.162 nan 8.290 nan 0.000 0.553 227 Q N 0.411 120.326 119.800 0.192 0.000 2.523 227 Q HA -0.033 4.307 4.340 0.000 0.000 0.283 227 Q C -0.079 176.039 176.000 0.196 0.000 1.140 227 Q CA 0.680 56.571 55.803 0.148 0.000 0.981 227 Q CB 0.340 29.169 28.738 0.152 0.000 1.310 227 Q HN 0.275 nan 8.270 nan 0.000 0.483 228 M N 2.733 122.370 119.600 0.062 0.000 2.007 228 M HA 0.222 4.702 4.480 0.000 0.000 0.285 228 M C -2.015 174.340 176.300 0.091 0.000 0.893 228 M CA -0.584 54.807 55.300 0.150 0.000 0.925 228 M CB 0.633 33.285 32.600 0.087 0.000 1.568 228 M HN 0.565 nan 8.290 nan 0.000 0.414 229 Y N 3.417 123.833 120.300 0.193 0.000 2.584 229 Y HA 0.230 4.780 4.550 0.000 0.000 0.351 229 Y C 0.494 176.525 175.900 0.218 0.000 1.030 229 Y CA 0.213 58.422 58.100 0.183 0.000 1.332 229 Y CB 0.243 38.802 38.460 0.165 0.000 1.148 229 Y HN 0.480 nan 8.280 nan 0.000 0.528 230 Q N 3.540 123.468 119.800 0.214 0.000 2.243 230 Q HA 0.540 4.880 4.340 0.000 0.000 0.252 230 Q C -0.617 175.497 176.000 0.190 0.000 0.909 230 Q CA -0.519 55.384 55.803 0.168 0.000 0.922 230 Q CB 2.053 30.837 28.738 0.077 0.000 1.215 230 Q HN 0.663 nan 8.270 nan 0.000 0.427 231 M N 0.918 120.637 119.600 0.200 0.000 2.456 231 M HA 0.299 4.779 4.480 0.000 0.000 0.324 231 M C -0.772 175.597 176.300 0.114 0.000 1.124 231 M CA -0.482 54.922 55.300 0.173 0.000 0.959 231 M CB 2.203 34.940 32.600 0.227 0.000 1.692 231 M HN 0.525 nan 8.290 nan 0.000 0.444 232 T N 5.479 120.087 114.554 0.090 0.000 2.817 232 T HA 0.176 4.526 4.350 0.000 0.000 0.295 232 T C -2.352 172.385 174.700 0.062 0.000 0.958 232 T CA -0.595 61.544 62.100 0.065 0.000 1.157 232 T CB -0.282 68.619 68.868 0.055 0.000 0.898 232 T HN 0.396 nan 8.240 nan 0.000 0.536 233 P HA 0.066 nan 4.420 nan 0.000 0.256 233 P C -2.149 175.177 177.300 0.043 0.000 1.189 233 P CA -1.065 62.060 63.100 0.041 0.000 0.808 233 P CB 0.394 32.108 31.700 0.024 0.000 0.793 234 P HA -0.125 nan 4.420 nan 0.000 0.217 234 P C 0.513 177.846 177.300 0.055 0.000 1.151 234 P CA 1.435 64.568 63.100 0.054 0.000 0.849 234 P CB 0.106 31.830 31.700 0.039 0.000 0.787 235 L N -0.897 120.357 121.223 0.051 0.000 2.334 235 L HA 0.435 4.775 4.340 0.000 0.000 0.270 235 L C -2.248 174.646 176.870 0.040 0.000 1.018 235 L CA -2.830 52.048 54.840 0.063 0.000 0.811 235 L CB 1.253 43.400 42.059 0.147 0.000 1.271 235 L HN -0.243 nan 8.230 nan 0.000 0.443 236 P HA 0.105 nan 4.420 nan 0.000 0.268 236 P C -1.162 176.157 177.300 0.032 0.000 1.204 236 P CA 0.029 63.122 63.100 -0.012 0.000 0.768 236 P CB 0.942 32.601 31.700 -0.068 0.000 0.842 237 E N 1.028 121.228 120.200 0.001 0.000 2.281 237 E HA 0.684 5.034 4.350 0.000 0.000 0.262 237 E C -0.125 176.456 176.600 -0.030 0.000 0.933 237 E CA -0.983 55.414 56.400 -0.005 0.000 0.809 237 E CB 1.914 31.607 29.700 -0.013 0.000 1.242 237 E HN 0.728 nan 8.360 nan 0.000 0.418 238 G N -0.126 108.651 108.800 -0.038 0.000 2.640 238 G HA2 0.130 4.090 3.960 0.000 0.000 0.686 238 G HA3 0.130 4.090 3.960 0.000 0.000 0.686 238 G C 0.440 175.300 174.900 -0.066 0.000 1.229 238 G CA -0.083 44.984 45.100 -0.054 0.000 0.796 238 G HN 0.745 nan 8.290 nan 0.000 0.654 239 A N -0.027 122.751 122.820 -0.070 0.000 2.262 239 A HA -0.073 4.247 4.320 0.000 0.000 0.280 239 A C 1.417 178.918 177.584 -0.139 0.000 3.215 239 A CA 3.431 55.410 52.037 -0.097 0.000 1.023 239 A CB -1.315 17.617 19.000 -0.114 0.000 0.585 239 A HN 2.310 nan 8.150 nan 0.000 0.462 240 V N 0.670 120.457 119.914 -0.211 0.000 2.443 240 V HA 0.431 4.551 4.120 0.000 0.000 0.293 240 V C -1.158 174.847 176.094 -0.149 0.000 1.021 240 V CA -0.811 61.352 62.300 -0.228 0.000 0.848 240 V CB 1.596 33.134 31.823 -0.474 0.000 0.998 240 V HN 0.574 nan 8.190 nan 0.000 0.424 241 N N 5.186 123.864 118.700 -0.036 0.000 2.469 241 N HA 0.465 5.205 4.740 0.000 0.000 0.253 241 N C -0.266 175.303 175.510 0.097 0.000 0.970 241 N CA -0.646 52.420 53.050 0.026 0.000 0.940 241 N CB 1.979 40.530 38.487 0.106 0.000 1.128 241 N HN 0.544 nan 8.380 nan 0.000 0.503 242 R N 1.165 121.686 120.500 0.034 0.000 2.517 242 R HA 0.514 4.854 4.340 0.000 0.000 0.250 242 R C 0.386 176.693 176.300 0.012 0.000 1.213 242 R CA -0.638 55.503 56.100 0.068 0.000 1.146 242 R CB 0.996 31.333 30.300 0.061 0.000 1.279 242 R HN 0.451 nan 8.270 nan 0.000 0.597 243 I N 1.675 122.259 120.570 0.024 0.000 2.620 243 I HA 0.140 4.310 4.170 0.000 0.000 0.280 243 I C -0.370 175.723 176.117 -0.040 0.000 1.143 243 I CA -0.473 60.806 61.300 -0.035 0.000 1.163 243 I CB 1.257 39.278 38.000 0.035 0.000 1.461 243 I HN 0.070 nan 8.210 nan 0.000 0.530 244 V N 4.007 123.848 119.914 -0.121 0.000 2.415 244 V HA -0.043 4.077 4.120 0.000 0.000 0.267 244 V C 0.748 176.682 176.094 -0.267 0.000 1.042 244 V CA -0.375 61.828 62.300 -0.162 0.000 1.000 244 V CB 0.957 32.692 31.823 -0.146 0.000 1.015 244 V HN 0.841 nan 8.190 nan 0.000 0.478 245 C N 8.323 127.397 119.300 -0.377 0.000 2.633 245 C HA 0.410 4.870 4.460 0.000 0.000 0.415 245 C C 0.127 174.870 174.990 -0.412 0.000 1.393 245 C CA -0.303 58.313 59.018 -0.671 0.000 1.700 245 C CB -1.413 25.664 27.740 -1.105 0.000 2.541 245 C HN 0.889 nan 8.230 nan 0.000 0.603 246 M N 7.428 126.836 119.600 -0.320 0.000 2.295 246 M HA 0.182 4.662 4.480 0.000 0.000 0.219 246 M C 0.276 176.593 176.300 0.029 0.000 0.981 246 M CA -0.142 55.092 55.300 -0.111 0.000 1.019 246 M CB 1.679 34.227 32.600 -0.087 0.000 2.528 246 M HN 0.812 nan 8.290 nan 0.000 0.445 247 T N -0.569 113.975 114.554 -0.016 0.000 2.939 247 T HA 0.060 4.410 4.350 0.000 0.000 0.319 247 T C 0.909 175.591 174.700 -0.030 0.000 1.082 247 T CA -0.191 61.868 62.100 -0.068 0.000 1.133 247 T CB 0.149 68.921 68.868 -0.160 0.000 1.019 247 T HN 0.737 nan 8.240 nan 0.000 0.548 248 N N 1.482 120.128 118.700 -0.091 0.000 2.707 248 N HA -0.162 4.578 4.740 0.000 0.000 0.253 248 N C 0.746 176.210 175.510 -0.077 0.000 0.998 248 N CA 1.097 54.069 53.050 -0.130 0.000 0.751 248 N CB -0.749 37.666 38.487 -0.121 0.000 0.920 248 N HN 0.985 nan 8.380 nan 0.000 0.539 249 W N -1.305 119.937 121.300 -0.098 0.000 2.576 249 W HA 0.254 4.914 4.660 0.000 0.000 0.270 249 W C 0.893 177.362 176.519 -0.084 0.000 1.255 249 W CA 0.846 58.138 57.345 -0.089 0.000 1.314 249 W CB -0.291 29.112 29.460 -0.095 0.000 1.101 249 W HN 0.245 nan 8.180 nan 0.000 0.595 250 A N 1.200 123.396 122.820 -1.039 0.000 2.545 250 A HA 0.244 4.564 4.320 0.000 0.000 0.277 250 A C 0.635 177.892 177.584 -0.544 0.000 1.301 250 A CA -0.129 51.277 52.037 -1.052 0.000 0.935 250 A CB -0.600 17.319 19.000 -1.801 0.000 1.093 250 A HN 0.075 nan 8.150 nan 0.000 0.519 251 S N 0.009 115.498 115.700 -0.351 0.000 2.525 251 S HA 0.291 4.761 4.470 0.000 0.000 0.285 251 S C 0.013 174.529 174.600 -0.141 0.000 1.283 251 S CA 0.110 58.185 58.200 -0.208 0.000 1.072 251 S CB 0.266 63.378 63.200 -0.147 0.000 0.867 251 S HN 0.493 nan 8.310 nan 0.000 0.492 252 L N 6.013 127.179 121.223 -0.095 0.000 3.193 252 L HA 0.547 4.887 4.340 0.000 0.000 0.305 252 L C 0.421 177.283 176.870 -0.013 0.000 1.299 252 L CA 0.140 54.955 54.840 -0.041 0.000 0.904 252 L CB 0.301 42.360 42.059 -0.000 0.000 1.331 252 L HN 0.777 nan 8.230 nan 0.000 0.588 253 G N -1.300 107.486 108.800 -0.024 0.000 2.667 253 G HA2 0.298 4.258 3.960 0.000 0.000 0.310 253 G HA3 0.298 4.258 3.960 0.000 0.000 0.310 253 G C 0.472 175.366 174.900 -0.009 0.000 1.259 253 G CA 0.233 45.328 45.100 -0.009 0.000 1.019 253 G HN 0.259 nan 8.290 nan 0.000 0.496 254 D N -0.728 119.672 120.400 -0.000 0.000 2.127 254 D HA -0.104 4.536 4.640 0.000 0.000 0.190 254 D C 0.241 176.534 176.300 -0.012 0.000 1.000 254 D CA 1.501 55.500 54.000 -0.002 0.000 0.839 254 D CB 0.225 41.028 40.800 0.004 0.000 0.955 254 D HN 0.289 nan 8.370 nan 0.000 0.446 255 E N -1.484 118.705 120.200 -0.018 0.000 2.435 255 E HA 0.670 5.020 4.350 0.000 0.000 0.272 255 E C -0.691 175.882 176.600 -0.045 0.000 1.031 255 E CA -0.694 55.688 56.400 -0.030 0.000 0.872 255 E CB 1.835 31.519 29.700 -0.027 0.000 1.588 255 E HN 0.281 nan 8.360 nan 0.000 0.460 256 G N 0.571 109.335 108.800 -0.061 0.000 2.753 256 G HA2 0.401 4.361 3.960 0.000 0.000 0.297 256 G HA3 0.401 4.361 3.960 0.000 0.000 0.297 256 G C -0.996 173.839 174.900 -0.108 0.000 1.430 256 G CA -0.923 44.124 45.100 -0.089 0.000 1.040 256 G HN 0.345 nan 8.290 nan 0.000 0.530 257 R N 1.781 122.189 120.500 -0.154 0.000 2.637 257 R HA 0.155 4.495 4.340 0.000 0.000 0.331 257 R C 0.821 177.026 176.300 -0.159 0.000 1.166 257 R CA 0.100 56.088 56.100 -0.185 0.000 0.993 257 R CB -0.424 29.691 30.300 -0.309 0.000 1.012 257 R HN 0.643 nan 8.270 nan 0.000 0.461 258 G N 3.936 112.668 108.800 -0.113 0.000 2.515 258 G HA2 0.087 4.047 3.960 0.000 0.000 0.293 258 G HA3 0.087 4.047 3.960 0.000 0.000 0.293 258 G C -0.266 174.571 174.900 -0.105 0.000 0.686 258 G CA 0.194 45.238 45.100 -0.093 0.000 1.463 258 G HN 0.694 nan 8.290 nan 0.000 0.310 259 L N 0.073 121.227 121.223 -0.115 0.000 4.497 259 L HA 0.320 4.660 4.340 0.000 0.000 0.256 259 L C -0.786 176.010 176.870 -0.123 0.000 1.069 259 L CA -0.449 54.320 54.840 -0.118 0.000 1.292 259 L CB 0.060 42.029 42.059 -0.150 0.000 1.996 259 L HN 0.564 nan 8.230 nan 0.000 0.646 260 E N 2.652 122.797 120.200 -0.092 0.000 2.431 260 E HA 0.838 5.188 4.350 0.000 0.000 0.240 260 E C -1.499 175.076 176.600 -0.042 0.000 0.867 260 E CA -1.102 55.248 56.400 -0.083 0.000 0.888 260 E CB 2.556 32.208 29.700 -0.080 0.000 1.739 260 E HN 0.222 nan 8.360 nan 0.000 0.413 261 V N 1.907 121.812 119.914 -0.015 0.000 2.498 261 V HA 0.339 4.459 4.120 0.000 0.000 0.283 261 V C -1.114 174.977 176.094 -0.006 0.000 1.015 261 V CA -0.758 61.554 62.300 0.020 0.000 0.867 261 V CB 1.213 33.118 31.823 0.137 0.000 1.025 261 V HN 0.439 nan 8.190 nan 0.000 0.441 262 R N 5.141 125.635 120.500 -0.010 0.000 2.312 262 R HA 0.571 4.911 4.340 0.000 0.000 0.310 262 R C -0.978 175.335 176.300 0.021 0.000 1.064 262 R CA -0.381 55.708 56.100 -0.018 0.000 0.983 262 R CB 1.719 32.008 30.300 -0.018 0.000 1.139 262 R HN 0.573 nan 8.270 nan 0.000 0.536 263 L N 5.066 126.269 121.223 -0.034 0.000 2.292 263 L HA 0.446 4.786 4.340 0.000 0.000 0.284 263 L C -1.713 175.151 176.870 -0.010 0.000 1.065 263 L CA -1.895 52.937 54.840 -0.014 0.000 0.806 263 L CB 1.465 43.468 42.059 -0.094 0.000 1.175 263 L HN 0.169 nan 8.230 nan 0.000 0.431 264 P HA 0.202 nan 4.420 nan 0.000 0.274 264 P C -2.638 174.666 177.300 0.008 0.000 1.231 264 P CA -1.649 61.475 63.100 0.041 0.000 0.790 264 P CB 0.176 31.941 31.700 0.109 0.000 0.951 265 P HA -0.001 nan 4.420 nan 0.000 0.267 265 P C -1.925 175.408 177.300 0.054 0.000 1.195 265 P CA -0.829 62.282 63.100 0.018 0.000 0.773 265 P CB -0.906 30.808 31.700 0.024 0.000 0.837 266 P HA -0.181 nan 4.420 nan 0.000 0.220 266 P C 1.307 178.689 177.300 0.137 0.000 1.142 266 P CA 1.950 65.128 63.100 0.130 0.000 0.801 266 P CB -0.666 31.228 31.700 0.323 0.000 0.764 267 T N -5.780 108.864 114.554 0.151 0.000 3.160 267 T HA 0.028 4.378 4.350 0.000 0.000 0.257 267 T C 0.444 175.218 174.700 0.124 0.000 1.147 267 T CA 0.215 62.408 62.100 0.155 0.000 1.064 267 T CB -0.336 68.655 68.868 0.205 0.000 0.949 267 T HN 0.024 nan 8.240 nan 0.000 0.526 268 D N 1.432 121.888 120.400 0.093 0.000 2.477 268 D HA 0.308 4.948 4.640 0.000 0.000 0.234 268 D C -0.440 175.904 176.300 0.074 0.000 1.048 268 D CA -0.566 53.493 54.000 0.098 0.000 0.959 268 D CB 1.862 42.724 40.800 0.104 0.000 1.408 268 D HN 0.275 nan 8.370 nan 0.000 0.496 269 S N -0.498 115.261 115.700 0.100 0.000 2.519 269 S HA 0.004 4.474 4.470 0.000 0.000 0.320 269 S C 0.986 175.588 174.600 0.003 0.000 1.179 269 S CA -0.380 57.868 58.200 0.080 0.000 1.173 269 S CB 0.467 63.744 63.200 0.130 0.000 1.224 269 S HN 0.358 nan 8.310 nan 0.000 0.542 270 S N 3.236 118.883 115.700 -0.089 0.000 2.555 270 S HA -0.056 4.414 4.470 0.000 0.000 0.230 270 S C 1.624 176.022 174.600 -0.336 0.000 0.978 270 S CA 0.587 58.639 58.200 -0.248 0.000 0.934 270 S CB -0.574 62.560 63.200 -0.110 0.000 0.766 270 S HN 0.744 nan 8.310 nan 0.000 0.533 271 V N 3.041 122.880 119.914 -0.124 0.000 2.277 271 V HA -0.352 3.768 4.120 0.000 0.000 0.253 271 V C 2.098 178.207 176.094 0.025 0.000 1.067 271 V CA 3.054 65.383 62.300 0.049 0.000 1.047 271 V CB -0.987 30.943 31.823 0.178 0.000 0.649 271 V HN 0.931 nan 8.190 nan 0.000 0.447 272 H N 0.913 120.056 119.070 0.121 0.000 2.289 272 H HA -0.085 4.471 4.556 0.000 0.000 0.294 272 H C 2.035 177.370 175.328 0.012 0.000 1.095 272 H CA 2.130 58.215 56.048 0.062 0.000 1.256 272 H CB -1.540 28.238 29.762 0.027 0.000 1.359 272 H HN 0.451 nan 8.280 nan 0.000 0.487 273 A N 0.021 122.785 122.820 -0.094 0.000 2.234 273 A HA -0.122 4.198 4.320 0.000 0.000 0.216 273 A C 0.734 178.083 177.584 -0.391 0.000 1.167 273 A CA 1.003 52.943 52.037 -0.162 0.000 0.698 273 A CB -0.933 17.879 19.000 -0.313 0.000 0.779 273 A HN 0.648 nan 8.150 nan 0.000 0.475 274 Y N -0.626 119.642 120.300 -0.053 0.000 2.756 274 Y HA 0.286 4.836 4.550 0.000 0.000 0.300 274 Y C 0.320 176.235 175.900 0.024 0.000 1.113 274 Y CA -0.087 57.986 58.100 -0.045 0.000 1.291 274 Y CB 0.359 38.754 38.460 -0.108 0.000 1.175 274 Y HN 0.108 nan 8.280 nan 0.000 0.534 275 K N -0.207 120.254 120.400 0.103 0.000 3.084 275 K HA 0.279 4.599 4.320 0.000 0.000 0.172 275 K C 0.072 176.697 176.600 0.041 0.000 1.078 275 K CA 0.043 56.383 56.287 0.087 0.000 0.875 275 K CB 0.979 33.529 32.500 0.083 0.000 1.064 275 K HN 0.149 nan 8.250 nan 0.000 0.597 276 T N -0.614 113.960 114.554 0.034 0.000 3.608 276 T HA -0.003 4.347 4.350 0.000 0.000 0.213 276 T C 1.775 176.498 174.700 0.039 0.000 0.897 276 T CA 0.288 62.401 62.100 0.023 0.000 1.533 276 T CB 0.052 68.922 68.868 0.003 0.000 1.504 276 T HN 0.020 nan 8.240 nan 0.000 0.446 277 V N 2.358 122.297 119.914 0.041 0.000 2.315 277 V HA -0.264 3.856 4.120 0.000 0.000 0.237 277 V C 2.192 178.341 176.094 0.091 0.000 0.979 277 V CA 2.188 64.522 62.300 0.057 0.000 1.057 277 V CB -1.126 30.721 31.823 0.040 0.000 0.710 277 V HN 0.449 nan 8.190 nan 0.000 0.515 278 L N -0.839 120.461 121.223 0.129 0.000 2.616 278 L HA 0.124 4.464 4.340 0.000 0.000 0.229 278 L C 2.338 179.321 176.870 0.188 0.000 1.110 278 L CA 0.478 55.441 54.840 0.205 0.000 0.884 278 L CB -0.145 42.098 42.059 0.307 0.000 1.115 278 L HN 0.318 nan 8.230 nan 0.000 0.481 279 S N 0.107 115.852 115.700 0.075 0.000 2.359 279 S HA -0.094 4.376 4.470 0.000 0.000 0.224 279 S C 0.996 175.408 174.600 -0.313 0.000 1.035 279 S CA 0.916 59.053 58.200 -0.105 0.000 1.018 279 S CB -0.238 62.956 63.200 -0.010 0.000 0.876 279 S HN 0.375 nan 8.310 nan 0.000 0.448 280 R N 0.908 121.331 120.500 -0.127 0.000 2.523 280 R HA 0.238 4.578 4.340 0.000 0.000 0.281 280 R C 1.308 177.521 176.300 -0.144 0.000 0.969 280 R CA 0.736 56.768 56.100 -0.113 0.000 1.093 280 R CB -0.158 30.130 30.300 -0.020 0.000 0.917 280 R HN 0.509 nan 8.270 nan 0.000 0.408 281 G N 2.534 111.248 108.800 -0.143 0.000 3.178 281 G HA2 -0.340 3.620 3.960 0.000 0.000 0.200 281 G HA3 -0.340 3.620 3.960 0.000 0.000 0.200 281 G C 0.465 175.339 174.900 -0.043 0.000 1.831 281 G CA 0.230 45.303 45.100 -0.046 0.000 1.470 281 G HN 0.695 nan 8.290 nan 0.000 0.591 282 Y N 0.658 120.973 120.300 0.024 0.000 2.441 282 Y HA 0.680 5.230 4.550 0.000 0.000 0.288 282 Y C 1.530 177.436 175.900 0.009 0.000 1.118 282 Y CA -0.192 57.916 58.100 0.013 0.000 1.215 282 Y CB -0.172 38.292 38.460 0.008 0.000 1.118 282 Y HN 0.351 nan 8.280 nan 0.000 0.547 283 I N 3.291 123.493 120.570 -0.613 0.000 2.668 283 I HA -0.110 4.060 4.170 0.000 0.000 0.285 283 I C -0.114 175.936 176.117 -0.112 0.000 1.168 283 I CA 0.382 61.533 61.300 -0.249 0.000 1.424 283 I CB 0.157 37.958 38.000 -0.331 0.000 1.377 283 I HN 0.254 nan 8.210 nan 0.000 0.560 284 D N 7.006 127.384 120.400 -0.035 0.000 2.455 284 D HA -0.078 4.562 4.640 0.000 0.000 0.241 284 D C 1.283 177.585 176.300 0.003 0.000 1.138 284 D CA 0.121 54.113 54.000 -0.012 0.000 0.877 284 D CB 0.579 41.377 40.800 -0.003 0.000 1.187 284 D HN 0.587 nan 8.370 nan 0.000 0.451 285 N N 2.056 120.765 118.700 0.014 0.000 2.493 285 N HA -0.226 4.514 4.740 0.000 0.000 0.191 285 N C 0.820 176.374 175.510 0.074 0.000 1.041 285 N CA 0.990 54.065 53.050 0.041 0.000 0.904 285 N CB -0.028 38.483 38.487 0.040 0.000 0.948 285 N HN 0.319 nan 8.380 nan 0.000 0.446 286 A N -0.760 122.099 122.820 0.064 0.000 2.379 286 A HA 0.183 4.503 4.320 0.000 0.000 0.236 286 A C 0.084 177.730 177.584 0.103 0.000 1.272 286 A CA -0.312 51.778 52.037 0.088 0.000 0.886 286 A CB -0.078 18.966 19.000 0.072 0.000 0.962 286 A HN 0.556 nan 8.150 nan 0.000 0.504 287 Q N -0.804 119.049 119.800 0.088 0.000 2.353 287 Q HA 0.603 4.943 4.340 0.000 0.000 0.275 287 Q C -0.579 175.479 176.000 0.097 0.000 1.029 287 Q CA -0.851 55.002 55.803 0.084 0.000 0.848 287 Q CB 0.868 29.578 28.738 -0.046 0.000 1.390 287 Q HN 0.362 nan 8.270 nan 0.000 0.401 288 F N -0.681 119.298 119.950 0.048 0.000 2.380 288 F HA 0.623 5.150 4.527 0.000 0.000 0.321 288 F C 0.084 175.922 175.800 0.064 0.000 1.103 288 F CA -1.040 56.992 58.000 0.054 0.000 1.067 288 F CB 0.943 39.976 39.000 0.055 0.000 1.265 288 F HN 0.527 nan 8.300 nan 0.000 0.517 289 N N 2.309 121.071 118.700 0.103 0.000 2.437 289 N HA 0.285 5.025 4.740 0.000 0.000 0.243 289 N C -2.065 173.502 175.510 0.096 0.000 1.041 289 N CA -2.203 50.876 53.050 0.048 0.000 0.940 289 N CB 1.167 39.778 38.487 0.207 0.000 1.133 289 N HN 0.356 nan 8.380 nan 0.000 0.506 290 P HA -0.067 nan 4.420 nan 0.000 0.218 290 P C 1.597 178.986 177.300 0.149 0.000 1.148 290 P CA 0.776 63.945 63.100 0.115 0.000 0.822 290 P CB 0.499 32.191 31.700 -0.012 0.000 0.784 291 L N -1.256 120.045 121.223 0.129 0.000 2.093 291 L HA -0.086 4.254 4.340 0.000 0.000 0.208 291 L C 1.522 178.426 176.870 0.058 0.000 1.085 291 L CA 1.174 56.118 54.840 0.173 0.000 0.755 291 L CB -0.688 41.559 42.059 0.313 0.000 0.904 291 L HN -0.063 nan 8.230 nan 0.000 0.435 292 A N -0.890 121.967 122.820 0.061 0.000 3.282 292 A HA 0.231 4.551 4.320 0.000 0.000 0.287 292 A C 1.083 178.660 177.584 -0.011 0.000 1.366 292 A CA -0.200 51.778 52.037 -0.098 0.000 1.069 292 A CB 0.058 19.069 19.000 0.017 0.000 1.109 292 A HN 0.224 nan 8.150 nan 0.000 0.638 293 L N -0.141 121.085 121.223 0.005 0.000 2.102 293 L HA 0.141 4.481 4.340 0.000 0.000 0.202 293 L C 2.319 179.145 176.870 -0.073 0.000 1.076 293 L CA 1.801 56.653 54.840 0.019 0.000 0.761 293 L CB -0.371 41.723 42.059 0.058 0.000 0.921 293 L HN 0.598 nan 8.230 nan 0.000 0.444 294 R N -1.317 119.116 120.500 -0.112 0.000 2.092 294 R HA -0.141 4.199 4.340 0.000 0.000 0.231 294 R C 2.352 178.568 176.300 -0.140 0.000 1.119 294 R CA 1.515 57.530 56.100 -0.143 0.000 0.970 294 R CB -0.352 29.871 30.300 -0.130 0.000 0.864 294 R HN 0.414 nan 8.270 nan 0.000 0.440 295 S N 0.255 115.869 115.700 -0.144 0.000 2.402 295 S HA -0.036 4.434 4.470 0.000 0.000 0.229 295 S C 1.584 176.138 174.600 -0.078 0.000 1.021 295 S CA 1.011 59.137 58.200 -0.123 0.000 0.974 295 S CB -0.167 62.934 63.200 -0.166 0.000 0.800 295 S HN 0.438 nan 8.310 nan 0.000 0.484 296 N N 0.474 119.145 118.700 -0.048 0.000 2.424 296 N HA 0.088 4.828 4.740 0.000 0.000 0.178 296 N C 1.311 176.808 175.510 -0.022 0.000 1.060 296 N CA 0.536 53.587 53.050 0.003 0.000 0.901 296 N CB 0.309 38.853 38.487 0.094 0.000 0.979 296 N HN 0.265 nan 8.380 nan 0.000 0.451 297 V N 0.615 120.467 119.914 -0.104 0.000 2.992 297 V HA -0.015 4.105 4.120 0.000 0.000 0.250 297 V C 2.110 177.998 176.094 -0.344 0.000 1.090 297 V CA 0.420 62.560 62.300 -0.267 0.000 1.101 297 V CB 0.100 31.626 31.823 -0.494 0.000 0.743 297 V HN 0.109 nan 8.190 nan 0.000 0.468 298 L N -0.641 120.446 121.223 -0.227 0.000 2.056 298 L HA -0.066 4.274 4.340 0.000 0.000 0.207 298 L C 2.105 178.902 176.870 -0.122 0.000 1.078 298 L CA 1.813 56.550 54.840 -0.171 0.000 0.749 298 L CB -0.389 41.608 42.059 -0.104 0.000 0.901 298 L HN 0.188 nan 8.230 nan 0.000 0.433 299 L N -1.317 119.847 121.223 -0.098 0.000 2.217 299 L HA -0.135 4.205 4.340 0.000 0.000 0.211 299 L C 2.260 179.074 176.870 -0.094 0.000 1.107 299 L CA 1.407 56.205 54.840 -0.070 0.000 0.783 299 L CB -0.808 41.225 42.059 -0.044 0.000 0.919 299 L HN 0.333 nan 8.230 nan 0.000 0.442 300 M N -1.309 118.204 119.600 -0.146 0.000 2.200 300 M HA -0.135 4.345 4.480 0.000 0.000 0.265 300 M C 2.044 178.275 176.300 -0.116 0.000 1.066 300 M CA 1.735 56.927 55.300 -0.180 0.000 1.127 300 M CB -0.312 32.092 32.600 -0.327 0.000 1.379 300 M HN 0.225 nan 8.290 nan 0.000 0.420 301 L N -0.295 120.833 121.223 -0.158 0.000 2.179 301 L HA -0.145 4.195 4.340 0.000 0.000 0.208 301 L C 2.295 179.199 176.870 0.056 0.000 1.096 301 L CA 0.288 55.092 54.840 -0.060 0.000 0.779 301 L CB -0.795 41.149 42.059 -0.192 0.000 0.922 301 L HN 0.265 nan 8.230 nan 0.000 0.443 302 L N -0.092 121.121 121.223 -0.016 0.000 2.349 302 L HA -0.208 4.132 4.340 0.000 0.000 0.220 302 L C 2.206 179.033 176.870 -0.072 0.000 1.130 302 L CA 1.726 56.550 54.840 -0.027 0.000 0.791 302 L CB -0.401 41.634 42.059 -0.040 0.000 0.918 302 L HN 0.264 nan 8.230 nan 0.000 0.444 303 Q N -2.433 117.342 119.800 -0.040 0.000 2.402 303 Q HA -0.021 4.319 4.340 0.000 0.000 0.206 303 Q C 1.697 177.686 176.000 -0.018 0.000 0.919 303 Q CA 0.608 56.369 55.803 -0.070 0.000 0.923 303 Q CB 0.085 28.784 28.738 -0.064 0.000 1.048 303 Q HN 0.581 nan 8.270 nan 0.000 0.515 304 F N 0.304 120.212 119.950 -0.071 0.000 2.512 304 F HA -0.021 4.506 4.527 0.000 0.000 0.296 304 F C 1.583 177.374 175.800 -0.015 0.000 1.110 304 F CA 0.992 58.979 58.000 -0.020 0.000 1.446 304 F CB 0.286 39.329 39.000 0.071 0.000 1.092 304 F HN -0.121 nan 8.300 nan 0.000 0.554 305 T N 1.309 115.877 114.554 0.023 0.000 2.739 305 T HA -0.047 4.303 4.350 0.000 0.000 0.246 305 T C 1.947 176.541 174.700 -0.177 0.000 1.058 305 T CA 0.848 62.923 62.100 -0.042 0.000 1.184 305 T CB -0.592 68.308 68.868 0.054 0.000 0.887 305 T HN 0.012 nan 8.240 nan 0.000 0.408 306 L N 1.817 122.916 121.223 -0.206 0.000 2.054 306 L HA -0.210 4.130 4.340 0.000 0.000 0.220 306 L C 2.798 179.466 176.870 -0.337 0.000 1.081 306 L CA 1.976 56.623 54.840 -0.322 0.000 0.780 306 L CB -1.688 40.126 42.059 -0.408 0.000 0.893 306 L HN 0.379 nan 8.230 nan 0.000 0.438 307 S N 0.058 115.587 115.700 -0.285 0.000 2.359 307 S HA -0.206 4.264 4.470 0.000 0.000 0.223 307 S C 1.533 175.958 174.600 -0.291 0.000 1.039 307 S CA 1.632 59.669 58.200 -0.272 0.000 1.042 307 S CB -0.216 62.839 63.200 -0.242 0.000 0.915 307 S HN 0.519 nan 8.310 nan 0.000 0.439 308 N N 1.321 119.821 118.700 -0.333 0.000 2.421 308 N HA 0.132 4.872 4.740 0.000 0.000 0.201 308 N C -0.480 174.902 175.510 -0.212 0.000 1.198 308 N CA 0.166 53.046 53.050 -0.283 0.000 0.838 308 N CB -0.165 38.106 38.487 -0.359 0.000 1.011 308 N HN 0.492 nan 8.380 nan 0.000 0.463 309 L N 1.878 122.917 121.223 -0.307 0.000 2.399 309 L HA 0.177 4.517 4.340 0.000 0.000 0.257 309 L C 0.066 176.633 176.870 -0.506 0.000 1.236 309 L CA 0.117 54.668 54.840 -0.481 0.000 1.144 309 L CB -0.234 41.395 42.059 -0.717 0.000 1.379 309 L HN -0.090 nan 8.230 nan 0.000 0.414 310 K N 2.103 122.470 120.400 -0.054 0.000 2.466 310 K HA 0.684 5.004 4.320 0.000 0.000 0.260 310 K C -0.890 175.920 176.600 0.351 0.000 1.011 310 K CA -1.021 55.365 56.287 0.165 0.000 0.871 310 K CB 2.394 34.914 32.500 0.035 0.000 1.404 310 K HN 0.052 nan 8.250 nan 0.000 0.450 311 I N 1.015 121.770 120.570 0.308 0.000 2.566 311 I HA 0.188 4.358 4.170 0.000 0.000 0.303 311 I C -0.589 175.641 176.117 0.189 0.000 0.983 311 I CA -1.034 60.426 61.300 0.266 0.000 1.235 311 I CB 1.254 39.412 38.000 0.263 0.000 1.386 311 I HN 0.497 nan 8.210 nan 0.000 0.494 312 N N 3.828 122.645 118.700 0.195 0.000 2.949 312 N HA 0.173 4.913 4.740 0.000 0.000 0.243 312 N C -0.581 174.966 175.510 0.061 0.000 1.113 312 N CA -0.640 52.475 53.050 0.107 0.000 0.980 312 N CB 0.405 38.942 38.487 0.084 0.000 1.256 312 N HN 0.313 nan 8.380 nan 0.000 0.508 313 K N 0.509 120.941 120.400 0.052 0.000 2.559 313 K HA -0.038 4.282 4.320 0.000 0.000 0.279 313 K C 1.029 177.619 176.600 -0.017 0.000 0.967 313 K CA 0.358 56.660 56.287 0.024 0.000 1.000 313 K CB 0.366 32.888 32.500 0.037 0.000 0.890 313 K HN 0.462 nan 8.250 nan 0.000 0.501 314 S N 1.797 117.486 115.700 -0.019 0.000 2.603 314 S HA 0.030 4.500 4.470 0.000 0.000 0.220 314 S C 0.800 175.359 174.600 -0.068 0.000 0.967 314 S CA 0.516 58.708 58.200 -0.013 0.000 0.920 314 S CB -0.590 62.654 63.200 0.074 0.000 0.773 314 S HN 0.885 nan 8.310 nan 0.000 0.529 315 S N 0.697 116.349 115.700 -0.081 0.000 3.245 315 S HA -0.193 4.277 4.470 0.000 0.000 0.631 315 S C -0.066 174.486 174.600 -0.081 0.000 2.821 315 S CA 1.161 59.274 58.200 -0.145 0.000 3.266 315 S CB -1.969 61.027 63.200 -0.341 0.000 0.314 315 S HN 1.852 nan 8.310 nan 0.000 1.621 316 T N 0.382 114.845 114.554 -0.153 0.000 2.890 316 T HA 0.685 5.035 4.350 0.000 0.000 0.295 316 T C -0.333 174.326 174.700 -0.069 0.000 0.993 316 T CA -0.668 61.429 62.100 -0.004 0.000 0.979 316 T CB 0.499 69.360 68.868 -0.011 0.000 0.967 316 T HN 0.518 nan 8.240 nan 0.000 0.441 317 F N 2.228 122.106 119.950 -0.121 0.000 2.399 317 F HA 0.654 5.181 4.527 0.000 0.000 0.313 317 F C 1.485 177.224 175.800 -0.102 0.000 1.202 317 F CA -0.523 57.403 58.000 -0.123 0.000 1.192 317 F CB 0.794 39.728 39.000 -0.110 0.000 1.256 317 F HN 0.813 nan 8.300 nan 0.000 0.558 318 T N -2.333 112.274 114.554 0.087 0.000 3.109 318 T HA 0.418 4.768 4.350 0.000 0.000 0.311 318 T C -0.696 173.997 174.700 -0.012 0.000 1.011 318 T CA -1.014 61.095 62.100 0.015 0.000 1.026 318 T CB 0.761 69.615 68.868 -0.023 0.000 1.047 318 T HN 0.786 nan 8.240 nan 0.000 0.448 319 S N 3.179 118.864 115.700 -0.025 0.000 2.555 319 S HA 0.094 4.564 4.470 0.000 0.000 0.293 319 S C 0.175 174.725 174.600 -0.082 0.000 1.248 319 S CA -0.550 57.618 58.200 -0.053 0.000 1.096 319 S CB 0.053 63.219 63.200 -0.057 0.000 0.881 319 S HN 0.855 nan 8.310 nan 0.000 0.498 320 D N 2.753 123.089 120.400 -0.106 0.000 2.351 320 D HA 0.089 4.729 4.640 0.000 0.000 0.251 320 D C 0.008 176.222 176.300 -0.144 0.000 1.137 320 D CA -0.468 53.450 54.000 -0.136 0.000 0.879 320 D CB 1.142 41.842 40.800 -0.167 0.000 1.181 320 D HN 0.411 nan 8.370 nan 0.000 0.448 321 V N 3.375 123.185 119.914 -0.173 0.000 2.915 321 V HA 0.079 4.199 4.120 0.000 0.000 0.364 321 V C 0.604 176.545 176.094 -0.256 0.000 1.354 321 V CA -0.312 61.870 62.300 -0.196 0.000 1.213 321 V CB 0.352 32.053 31.823 -0.203 0.000 1.268 321 V HN 0.563 nan 8.190 nan 0.000 0.557 322 T N 2.032 116.439 114.554 -0.245 0.000 3.629 322 T HA 0.281 4.631 4.350 0.000 0.000 0.317 322 T C 1.315 175.859 174.700 -0.260 0.000 1.690 322 T CA 0.780 62.704 62.100 -0.294 0.000 1.276 322 T CB -0.231 68.467 68.868 -0.282 0.000 1.205 322 T HN 0.856 nan 8.240 nan 0.000 0.824 323 T N 1.185 115.598 114.554 -0.236 0.000 13.631 323 T HA -0.444 3.906 4.350 0.000 0.000 0.419 323 T C 1.416 176.036 174.700 -0.134 0.000 1.441 323 T CA 1.193 63.189 62.100 -0.174 0.000 2.348 323 T CB -1.611 67.149 68.868 -0.179 0.000 2.787 323 T HN 0.461 nan 8.240 nan 0.000 0.502 324 I N 2.725 123.220 120.570 -0.125 0.000 2.181 324 I HA -0.238 3.932 4.170 0.000 0.000 0.247 324 I C 2.426 178.488 176.117 -0.092 0.000 1.081 324 I CA 3.068 64.312 61.300 -0.093 0.000 1.340 324 I CB -0.462 37.487 38.000 -0.085 0.000 1.036 324 I HN 0.981 nan 8.210 nan 0.000 0.417 325 T N -2.402 112.084 114.554 -0.113 0.000 3.105 325 T HA 0.172 4.522 4.350 0.000 0.000 0.253 325 T C 0.828 175.459 174.700 -0.115 0.000 1.047 325 T CA -0.052 61.984 62.100 -0.107 0.000 0.944 325 T CB -0.277 68.519 68.868 -0.120 0.000 1.016 325 T HN 0.251 nan 8.240 nan 0.000 0.544 326 S N 0.711 116.339 115.700 -0.120 0.000 2.537 326 S HA 0.445 4.915 4.470 0.000 0.000 0.286 326 S C 1.596 176.140 174.600 -0.092 0.000 1.299 326 S CA 0.953 59.082 58.200 -0.119 0.000 1.067 326 S CB -0.322 62.804 63.200 -0.123 0.000 0.864 326 S HN 1.057 nan 8.310 nan 0.000 0.494 327 G N 4.953 113.698 108.800 -0.090 0.000 2.307 327 G HA2 -0.167 3.793 3.960 0.000 0.000 0.210 327 G HA3 -0.167 3.793 3.960 0.000 0.000 0.210 327 G C 0.010 174.868 174.900 -0.070 0.000 1.005 327 G CA -0.504 44.553 45.100 -0.073 0.000 0.634 327 G HN 0.678 nan 8.290 nan 0.000 0.496 328 R N 0.557 121.010 120.500 -0.078 0.000 2.438 328 R HA 0.464 4.804 4.340 0.000 0.000 0.287 328 R C 0.245 176.497 176.300 -0.081 0.000 1.077 328 R CA -0.196 55.860 56.100 -0.073 0.000 1.034 328 R CB 0.555 30.805 30.300 -0.084 0.000 0.993 328 R HN 0.318 nan 8.270 nan 0.000 0.459 329 M N 5.223 124.797 119.600 -0.043 0.000 2.261 329 M HA 0.226 4.706 4.480 0.000 0.000 0.349 329 M C 0.608 176.963 176.300 0.092 0.000 1.305 329 M CA -0.213 55.096 55.300 0.015 0.000 1.240 329 M CB 0.207 32.807 32.600 0.000 0.000 1.394 329 M HN 0.493 nan 8.290 nan 0.000 0.438 330 I N 0.332 120.850 120.570 -0.087 0.000 3.432 330 I HA 0.476 4.646 4.170 0.000 0.000 0.291 330 I C -0.172 175.844 176.117 -0.168 0.000 1.127 330 I CA -0.952 60.170 61.300 -0.296 0.000 0.962 330 I CB 0.675 38.297 38.000 -0.631 0.000 1.550 330 I HN 0.527 nan 8.210 nan 0.000 0.736 331 R N 1.101 121.461 120.500 -0.233 0.000 2.460 331 R HA 0.529 4.869 4.340 0.000 0.000 0.303 331 R C 0.695 176.669 176.300 -0.543 0.000 0.968 331 R CA -0.192 55.528 56.100 -0.634 0.000 0.889 331 R CB 1.839 31.555 30.300 -0.973 0.000 1.123 331 R HN 0.858 nan 8.270 nan 0.000 0.455 332 A N 3.220 125.756 122.820 -0.473 0.000 1.849 332 A HA -0.145 4.175 4.320 0.000 0.000 0.216 332 A C 0.221 177.728 177.584 -0.128 0.000 1.225 332 A CA 1.374 53.265 52.037 -0.244 0.000 0.653 332 A CB -0.633 18.266 19.000 -0.170 0.000 0.844 332 A HN 0.857 nan 8.150 nan 0.000 0.453 333 F N -1.596 118.320 119.950 -0.057 0.000 2.627 333 F HA -0.143 4.384 4.527 0.000 0.000 0.426 333 F C 0.765 176.547 175.800 -0.031 0.000 1.120 333 F CA 0.295 58.265 58.000 -0.049 0.000 1.370 333 F CB -1.736 37.242 39.000 -0.038 0.000 1.931 333 F HN 0.462 nan 8.300 nan 0.000 0.745 334 E N 0.841 121.100 120.200 0.099 0.000 2.028 334 E HA -0.099 4.251 4.350 0.000 0.000 0.191 334 E C 2.425 179.065 176.600 0.067 0.000 0.988 334 E CA 1.302 57.741 56.400 0.065 0.000 0.799 334 E CB -0.348 29.369 29.700 0.028 0.000 0.755 334 E HN 0.665 nan 8.360 nan 0.000 0.447 335 G N 1.908 110.747 108.800 0.064 0.000 2.759 335 G HA2 -0.361 3.599 3.960 0.000 0.000 0.224 335 G HA3 -0.361 3.599 3.960 0.000 0.000 0.224 335 G C 0.577 175.497 174.900 0.034 0.000 1.173 335 G CA 1.686 46.811 45.100 0.042 0.000 0.770 335 G HN 0.364 nan 8.290 nan 0.000 0.626 336 R N -0.765 119.759 120.500 0.040 0.000 2.631 336 R HA 0.348 4.688 4.340 0.000 0.000 0.289 336 R C -2.362 173.953 176.300 0.025 0.000 1.303 336 R CA -1.529 54.583 56.100 0.019 0.000 0.989 336 R CB 1.726 32.020 30.300 -0.011 0.000 1.208 336 R HN 0.047 nan 8.270 nan 0.000 0.461 337 P HA -0.222 nan 4.420 nan 0.000 0.224 337 P C 0.102 177.422 177.300 0.033 0.000 1.142 337 P CA 1.161 64.303 63.100 0.070 0.000 0.778 337 P CB 0.408 32.148 31.700 0.067 0.000 0.764 338 E N 0.326 120.528 120.200 0.003 0.000 2.130 338 E HA -0.169 4.181 4.350 0.000 0.000 0.196 338 E C 2.221 178.791 176.600 -0.050 0.000 0.998 338 E CA 0.872 57.270 56.400 -0.005 0.000 0.806 338 E CB -0.797 28.903 29.700 -0.000 0.000 0.738 338 E HN 0.296 nan 8.360 nan 0.000 0.459 339 L N 0.593 121.716 121.223 -0.166 0.000 2.042 339 L HA -0.211 4.129 4.340 0.000 0.000 0.210 339 L C 2.532 179.212 176.870 -0.316 0.000 1.076 339 L CA 0.614 55.223 54.840 -0.384 0.000 0.749 339 L CB -0.434 41.093 42.059 -0.887 0.000 0.893 339 L HN 0.200 nan 8.230 nan 0.000 0.432 340 L N 0.134 121.294 121.223 -0.104 0.000 2.211 340 L HA -0.275 4.065 4.340 0.000 0.000 0.216 340 L C 2.442 179.414 176.870 0.170 0.000 1.092 340 L CA 2.059 57.021 54.840 0.204 0.000 0.767 340 L CB -0.732 41.491 42.059 0.274 0.000 0.894 340 L HN 0.217 nan 8.230 nan 0.000 0.437 341 A N -0.639 122.229 122.820 0.080 0.000 1.832 341 A HA -0.097 4.223 4.320 0.000 0.000 0.214 341 A C 2.178 179.814 177.584 0.087 0.000 1.204 341 A CA 1.673 53.764 52.037 0.091 0.000 0.606 341 A CB -0.874 18.167 19.000 0.067 0.000 0.849 341 A HN 0.445 nan 8.150 nan 0.000 0.445 342 L N -0.490 120.764 121.223 0.051 0.000 1.956 342 L HA -0.274 4.066 4.340 0.000 0.000 0.216 342 L C 3.105 180.009 176.870 0.057 0.000 1.073 342 L CA 1.415 56.303 54.840 0.080 0.000 0.762 342 L CB -0.996 41.137 42.059 0.123 0.000 0.889 342 L HN 0.466 nan 8.230 nan 0.000 0.433 343 A N -0.402 122.368 122.820 -0.084 0.000 1.935 343 A HA -0.260 4.060 4.320 0.000 0.000 0.224 343 A C 0.717 178.140 177.584 -0.268 0.000 1.324 343 A CA 1.996 53.886 52.037 -0.244 0.000 0.686 343 A CB -1.197 17.599 19.000 -0.341 0.000 0.837 343 A HN 0.504 nan 8.150 nan 0.000 0.481 344 Y N -0.504 119.908 120.300 0.187 0.000 2.842 344 Y HA 0.442 4.992 4.550 0.000 0.000 0.334 344 Y C -2.688 173.211 175.900 -0.001 0.000 1.019 344 Y CA -2.908 55.275 58.100 0.138 0.000 1.258 344 Y CB 0.633 39.165 38.460 0.119 0.000 1.106 344 Y HN 0.105 nan 8.280 nan 0.000 0.545 345 P HA 0.268 nan 4.420 nan 0.000 0.276 345 P C 0.934 178.138 177.300 -0.161 0.000 1.235 345 P CA 0.701 63.754 63.100 -0.079 0.000 0.772 345 P CB 1.264 32.863 31.700 -0.169 0.000 0.871 346 G N 2.828 111.564 108.800 -0.107 0.000 2.278 346 G HA2 -0.216 3.744 3.960 0.000 0.000 0.210 346 G HA3 -0.216 3.744 3.960 0.000 0.000 0.210 346 G C 0.375 175.232 174.900 -0.072 0.000 1.000 346 G CA -0.514 44.508 45.100 -0.130 0.000 0.635 346 G HN 0.655 nan 8.290 nan 0.000 0.495 347 R N 1.108 121.590 120.500 -0.029 0.000 2.345 347 R HA 0.493 4.833 4.340 0.000 0.000 0.331 347 R C 0.864 177.135 176.300 -0.048 0.000 1.067 347 R CA 0.819 56.895 56.100 -0.040 0.000 0.962 347 R CB -0.370 29.927 30.300 -0.005 0.000 0.987 347 R HN 1.831 nan 8.270 nan 0.000 0.451 348 A N 3.083 125.845 122.820 -0.097 0.000 2.301 348 A HA -0.127 4.193 4.320 0.000 0.000 0.283 348 A C -0.479 177.146 177.584 0.068 0.000 1.419 348 A CA 0.402 52.346 52.037 -0.155 0.000 0.730 348 A CB -1.614 17.228 19.000 -0.265 0.000 1.161 348 A HN 0.466 nan 8.150 nan 0.000 0.356 349 V N 2.996 122.988 119.914 0.129 0.000 2.385 349 V HA 0.406 4.526 4.120 0.000 0.000 0.269 349 V C 0.744 177.054 176.094 0.360 0.000 1.043 349 V CA 0.010 62.426 62.300 0.194 0.000 0.906 349 V CB 1.366 33.220 31.823 0.052 0.000 0.995 349 V HN 0.849 nan 8.190 nan 0.000 0.467 350 L N 9.217 130.606 121.223 0.277 0.000 2.433 350 L HA 0.307 4.647 4.340 0.000 0.000 0.275 350 L C -1.426 175.400 176.870 -0.074 0.000 1.128 350 L CA -0.900 53.860 54.840 -0.134 0.000 0.875 350 L CB 0.878 42.696 42.059 -0.401 0.000 1.171 350 L HN 0.437 nan 8.230 nan 0.000 0.463 351 P HA -0.146 nan 4.420 nan 0.000 0.235 351 P C 0.322 177.592 177.300 -0.051 0.000 1.166 351 P CA 0.785 63.866 63.100 -0.032 0.000 0.760 351 P CB -0.301 31.390 31.700 -0.016 0.000 0.815 352 T N 1.414 115.923 114.554 -0.074 0.000 3.333 352 T HA -0.053 4.297 4.350 0.000 0.000 0.240 352 T C 0.435 175.112 174.700 -0.039 0.000 0.961 352 T CA -0.383 61.681 62.100 -0.060 0.000 1.215 352 T CB -1.026 67.800 68.868 -0.070 0.000 1.031 352 T HN -0.088 nan 8.240 nan 0.000 0.709 353 Q N 3.803 123.584 119.800 -0.032 0.000 2.604 353 Q HA 0.026 4.366 4.340 0.000 0.000 0.307 353 Q C 0.393 176.376 176.000 -0.028 0.000 1.208 353 Q CA 0.722 56.509 55.803 -0.027 0.000 1.059 353 Q CB -0.744 27.979 28.738 -0.025 0.000 1.127 353 Q HN 0.874 nan 8.270 nan 0.000 0.425 354 T N -1.029 113.510 114.554 -0.025 0.000 3.172 354 T HA 0.347 4.697 4.350 0.000 0.000 0.320 354 T C 0.787 175.475 174.700 -0.022 0.000 1.085 354 T CA -1.018 61.064 62.100 -0.029 0.000 1.052 354 T CB 1.447 70.299 68.868 -0.028 0.000 1.107 354 T HN 0.394 nan 8.240 nan 0.000 0.458 355 K N 2.123 122.503 120.400 -0.033 0.000 2.324 355 K HA -0.408 3.912 4.320 0.000 0.000 0.215 355 K C 1.750 178.345 176.600 -0.008 0.000 0.924 355 K CA 2.614 58.879 56.287 -0.037 0.000 0.953 355 K CB -0.765 31.695 32.500 -0.067 0.000 1.058 355 K HN 0.632 nan 8.250 nan 0.000 0.504 356 N N -0.202 118.495 118.700 -0.005 0.000 2.007 356 N HA -0.163 4.577 4.740 0.000 0.000 0.197 356 N C 1.735 177.282 175.510 0.061 0.000 1.050 356 N CA 2.070 55.140 53.050 0.034 0.000 0.856 356 N CB -0.441 38.065 38.487 0.031 0.000 1.050 356 N HN 0.383 nan 8.380 nan 0.000 0.423 357 A N 0.312 123.145 122.820 0.023 0.000 1.940 357 A HA -0.244 4.076 4.320 0.000 0.000 0.219 357 A C 2.088 179.671 177.584 -0.002 0.000 1.176 357 A CA 1.746 53.787 52.037 0.006 0.000 0.631 357 A CB -0.738 18.257 19.000 -0.009 0.000 0.814 357 A HN 0.491 nan 8.150 nan 0.000 0.446 358 Q N -1.765 118.041 119.800 0.010 0.000 2.050 358 Q HA -0.161 4.179 4.340 0.000 0.000 0.202 358 Q C 1.919 177.923 176.000 0.008 0.000 0.980 358 Q CA 1.740 57.545 55.803 0.003 0.000 0.840 358 Q CB -0.374 28.370 28.738 0.010 0.000 0.898 358 Q HN 0.762 nan 8.270 nan 0.000 0.424 359 F N 1.294 121.179 119.950 -0.108 0.000 2.014 359 F HA -0.179 4.348 4.527 0.000 0.000 0.295 359 F C 1.754 177.456 175.800 -0.164 0.000 1.145 359 F CA 1.339 59.254 58.000 -0.142 0.000 1.178 359 F CB -0.430 38.458 39.000 -0.187 0.000 0.972 359 F HN -0.050 nan 8.300 nan 0.000 0.476 360 L N 0.102 121.167 121.223 -0.263 0.000 2.357 360 L HA -0.283 4.058 4.340 0.000 0.000 0.220 360 L C 2.657 179.334 176.870 -0.323 0.000 1.123 360 L CA 1.403 56.014 54.840 -0.380 0.000 0.782 360 L CB -0.946 41.031 42.059 -0.138 0.000 0.910 360 L HN 0.391 nan 8.230 nan 0.000 0.442 361 S N -0.393 115.166 115.700 -0.235 0.000 2.387 361 S HA -0.144 4.326 4.470 0.000 0.000 0.226 361 S C 1.938 176.419 174.600 -0.199 0.000 1.026 361 S CA 1.558 59.661 58.200 -0.163 0.000 0.972 361 S CB -0.218 62.924 63.200 -0.097 0.000 0.814 361 S HN 0.613 nan 8.310 nan 0.000 0.477 362 T N 0.159 114.545 114.554 -0.281 0.000 3.215 362 T HA 0.507 4.857 4.350 0.000 0.000 0.254 362 T C 0.469 174.997 174.700 -0.286 0.000 1.149 362 T CA 0.328 62.279 62.100 -0.249 0.000 1.042 362 T CB -0.458 68.270 68.868 -0.234 0.000 0.966 362 T HN 0.463 nan 8.240 nan 0.000 0.534 363 A N 1.608 124.222 122.820 -0.343 0.000 2.440 363 A HA 0.541 4.861 4.320 0.000 0.000 0.251 363 A C 0.417 177.902 177.584 -0.166 0.000 1.089 363 A CA -0.630 51.226 52.037 -0.301 0.000 0.779 363 A CB -0.248 18.549 19.000 -0.338 0.000 1.022 363 A HN 0.648 nan 8.150 nan 0.000 0.492 364 I N 3.060 123.566 120.570 -0.107 0.000 2.436 364 I HA 0.083 4.253 4.170 0.000 0.000 0.289 364 I C 1.656 177.753 176.117 -0.035 0.000 1.083 364 I CA -0.035 61.237 61.300 -0.046 0.000 1.372 364 I CB 0.867 38.872 38.000 0.008 0.000 1.408 364 I HN 0.854 nan 8.210 nan 0.000 0.516 365 A N 5.456 128.252 122.820 -0.041 0.000 1.940 365 A HA -0.282 4.038 4.320 0.000 0.000 0.221 365 A C 2.122 179.701 177.584 -0.008 0.000 1.190 365 A CA 2.265 54.280 52.037 -0.037 0.000 0.647 365 A CB -0.448 18.527 19.000 -0.041 0.000 0.821 365 A HN 0.864 nan 8.150 nan 0.000 0.457 366 D N -0.756 119.651 120.400 0.011 0.000 2.117 366 D HA -0.191 4.449 4.640 0.000 0.000 0.197 366 D C 1.970 178.320 176.300 0.083 0.000 0.987 366 D CA 1.121 55.143 54.000 0.037 0.000 0.829 366 D CB -0.207 40.618 40.800 0.041 0.000 0.961 366 D HN 0.264 nan 8.370 nan 0.000 0.460 367 R N 0.428 120.997 120.500 0.114 0.000 2.127 367 R HA -0.018 4.322 4.340 0.000 0.000 0.238 367 R C 1.170 177.641 176.300 0.286 0.000 1.134 367 R CA 0.173 56.402 56.100 0.214 0.000 0.975 367 R CB -0.664 29.775 30.300 0.231 0.000 0.865 367 R HN 0.381 nan 8.270 nan 0.000 0.447 368 I N 0.059 120.743 120.570 0.190 0.000 2.754 368 I HA -0.012 4.158 4.170 0.000 0.000 0.285 368 I C 1.626 177.850 176.117 0.180 0.000 1.166 368 I CA 1.155 62.600 61.300 0.242 0.000 1.417 368 I CB 0.465 38.510 38.000 0.076 0.000 1.382 368 I HN 0.400 nan 8.210 nan 0.000 0.588 369 G N 5.298 114.231 108.800 0.221 0.000 2.669 369 G HA2 -0.225 3.735 3.960 0.000 0.000 0.250 369 G HA3 -0.225 3.735 3.960 0.000 0.000 0.250 369 G C -0.219 174.828 174.900 0.245 0.000 1.247 369 G CA 0.175 45.309 45.100 0.057 0.000 0.958 369 G HN 0.918 nan 8.290 nan 0.000 0.559 370 R N 0.191 120.785 120.500 0.156 0.000 2.795 370 R HA 0.794 5.134 4.340 0.000 0.000 0.275 370 R C 0.663 176.987 176.300 0.040 0.000 0.981 370 R CA -0.772 55.408 56.100 0.135 0.000 0.917 370 R CB 1.288 31.681 30.300 0.155 0.000 1.202 370 R HN 0.526 nan 8.270 nan 0.000 0.469 371 L N 0.502 121.723 121.223 -0.004 0.000 2.140 371 L HA 0.057 4.397 4.340 0.000 0.000 0.201 371 L C 0.624 177.463 176.870 -0.051 0.000 1.191 371 L CA 0.128 54.960 54.840 -0.014 0.000 0.825 371 L CB -0.685 41.366 42.059 -0.013 0.000 0.970 371 L HN 0.828 nan 8.230 nan 0.000 0.477 372 D N 1.100 121.452 120.400 -0.081 0.000 2.371 372 D HA -0.122 4.518 4.640 0.000 0.000 0.231 372 D C 0.500 176.741 176.300 -0.098 0.000 1.283 372 D CA 0.381 54.333 54.000 -0.079 0.000 0.884 372 D CB 0.904 41.650 40.800 -0.089 0.000 1.235 372 D HN 0.154 nan 8.370 nan 0.000 0.503 373 R N 0.046 120.496 120.500 -0.084 0.000 1.128 373 R HA 0.375 4.715 4.340 0.000 0.000 0.078 373 R C 1.896 178.118 176.300 -0.130 0.000 0.715 373 R CA 0.161 56.204 56.100 -0.096 0.000 2.061 373 R CB -0.691 29.569 30.300 -0.066 0.000 0.798 373 R HN 0.592 nan 8.270 nan 0.000 0.757 374 A N 0.775 123.530 122.820 -0.109 0.000 1.832 374 A HA -0.072 4.248 4.320 0.000 0.000 0.214 374 A C 0.599 178.119 177.584 -0.107 0.000 1.200 374 A CA 1.301 53.265 52.037 -0.121 0.000 0.610 374 A CB -0.584 18.362 19.000 -0.089 0.000 0.842 374 A HN 0.684 nan 8.150 nan 0.000 0.444 375 N N -2.793 115.868 118.700 -0.066 0.000 6.632 375 N HA -0.139 4.601 4.740 0.000 0.000 0.405 375 N C -0.508 174.985 175.510 -0.028 0.000 0.933 375 N CA 0.864 53.892 53.050 -0.037 0.000 1.142 375 N CB -1.310 37.157 38.487 -0.034 0.000 0.879 375 N HN 0.263 nan 8.380 nan 0.000 0.283 376 L N 1.915 123.133 121.223 -0.008 0.000 2.597 376 L HA 0.115 4.455 4.340 0.000 0.000 0.261 376 L C 0.413 177.276 176.870 -0.012 0.000 1.389 376 L CA 0.298 55.137 54.840 -0.002 0.000 1.203 376 L CB -0.998 41.072 42.059 0.018 0.000 1.401 376 L HN 0.262 nan 8.230 nan 0.000 0.443 377 I N 1.978 122.533 120.570 -0.024 0.000 2.453 377 I HA 0.031 4.201 4.170 0.000 0.000 0.300 377 I C 1.328 177.435 176.117 -0.017 0.000 1.159 377 I CA 0.070 61.352 61.300 -0.029 0.000 1.379 377 I CB -0.093 37.883 38.000 -0.040 0.000 1.460 377 I HN 0.390 nan 8.210 nan 0.000 0.601 378 G N 4.054 112.848 108.800 -0.010 0.000 2.355 378 G HA2 0.453 4.413 3.960 0.000 0.000 0.276 378 G HA3 0.453 4.413 3.960 0.000 0.000 0.276 378 G C 0.776 175.673 174.900 -0.004 0.000 1.198 378 G CA 0.382 45.480 45.100 -0.003 0.000 0.876 378 G HN 0.900 nan 8.290 nan 0.000 0.478 379 G N 2.202 111.000 108.800 -0.003 0.000 2.601 379 G HA2 -0.336 3.624 3.960 0.000 0.000 0.306 379 G HA3 -0.336 3.624 3.960 0.000 0.000 0.306 379 G C 0.951 175.846 174.900 -0.009 0.000 1.172 379 G CA 0.848 45.947 45.100 -0.002 0.000 0.966 379 G HN 0.749 nan 8.290 nan 0.000 0.542 380 E N -0.875 119.319 120.200 -0.010 0.000 2.508 380 E HA 0.354 4.704 4.350 0.000 0.000 0.217 380 E C 0.574 177.159 176.600 -0.026 0.000 0.896 380 E CA 0.222 56.611 56.400 -0.018 0.000 1.118 380 E CB 0.832 30.524 29.700 -0.014 0.000 1.133 380 E HN 0.339 nan 8.360 nan 0.000 0.526 381 V N 1.387 121.291 119.914 -0.018 0.000 2.686 381 V HA 0.133 4.253 4.120 0.000 0.000 0.295 381 V C 0.448 176.522 176.094 -0.034 0.000 1.057 381 V CA -0.333 61.954 62.300 -0.021 0.000 1.012 381 V CB 1.509 33.331 31.823 -0.001 0.000 1.006 381 V HN 0.036 nan 8.190 nan 0.000 0.477 382 S N 2.513 118.178 115.700 -0.058 0.000 2.592 382 S HA 0.437 4.907 4.470 0.000 0.000 0.271 382 S C 1.281 175.861 174.600 -0.032 0.000 1.326 382 S CA 0.054 58.215 58.200 -0.065 0.000 1.024 382 S CB 1.383 64.508 63.200 -0.125 0.000 0.921 382 S HN 0.972 nan 8.310 nan 0.000 0.527 383 A N 3.862 126.674 122.820 -0.013 0.000 1.929 383 A HA 0.214 4.534 4.320 0.000 0.000 0.216 383 A C 0.877 178.469 177.584 0.013 0.000 1.176 383 A CA 1.310 53.355 52.037 0.014 0.000 0.628 383 A CB -0.548 18.478 19.000 0.043 0.000 0.816 383 A HN 1.072 nan 8.150 nan 0.000 0.444 384 M N -2.147 117.462 119.600 0.016 0.000 2.387 384 M HA 0.539 5.019 4.480 0.000 0.000 0.215 384 M C -0.936 175.353 176.300 -0.019 0.000 0.973 384 M CA -0.538 54.770 55.300 0.014 0.000 0.924 384 M CB 0.824 33.506 32.600 0.137 0.000 2.471 384 M HN -0.057 nan 8.290 nan 0.000 0.445 385 V N 2.367 122.210 119.914 -0.118 0.000 3.556 385 V HA 0.507 4.628 4.120 0.000 0.000 0.292 385 V C -0.008 175.810 176.094 -0.460 0.000 1.030 385 V CA 0.202 62.374 62.300 -0.213 0.000 1.009 385 V CB 1.855 33.601 31.823 -0.128 0.000 1.242 385 V HN 1.003 nan 8.190 nan 0.000 0.431 386 E N 1.886 121.826 120.200 -0.433 0.000 3.786 386 E HA 0.238 4.588 4.350 0.000 0.000 0.215 386 E C -0.336 176.145 176.600 -0.197 0.000 1.188 386 E CA -0.366 55.688 56.400 -0.576 0.000 1.248 386 E CB 0.977 30.323 29.700 -0.589 0.000 1.260 386 E HN 0.810 nan 8.360 nan 0.000 0.426 387 C N 0.983 120.248 119.300 -0.060 0.000 2.812 387 C HA -0.041 4.419 4.460 0.000 0.000 0.395 387 C C 1.612 176.614 174.990 0.020 0.000 1.256 387 C CA 0.488 59.553 59.018 0.079 0.000 1.962 387 C CB 0.190 27.937 27.740 0.012 0.000 2.701 387 C HN 0.784 nan 8.230 nan 0.000 0.702 388 M N 1.322 120.986 119.600 0.107 0.000 2.296 388 M HA 0.233 4.713 4.480 0.000 0.000 0.291 388 M C 0.747 176.873 176.300 -0.289 0.000 1.013 388 M CA 0.332 55.632 55.300 -0.001 0.000 1.089 388 M CB -0.379 32.340 32.600 0.197 0.000 1.677 388 M HN 0.876 nan 8.290 nan 0.000 0.584 389 E N 1.641 121.779 120.200 -0.103 0.000 2.831 389 E HA -0.063 4.287 4.350 0.000 0.000 0.292 389 E C -0.279 176.090 176.600 -0.384 0.000 1.039 389 E CA 0.299 56.544 56.400 -0.259 0.000 1.018 389 E CB -0.305 29.230 29.700 -0.277 0.000 1.074 389 E HN 0.431 nan 8.360 nan 0.000 0.467 390 L N 0.970 122.194 121.223 0.001 0.000 2.453 390 L HA 0.333 4.673 4.340 0.000 0.000 0.272 390 L C -0.217 176.645 176.870 -0.013 0.000 1.182 390 L CA -0.661 54.254 54.840 0.125 0.000 0.858 390 L CB 0.579 42.923 42.059 0.475 0.000 1.120 390 L HN 0.743 nan 8.230 nan 0.000 0.474 391 C N 1.919 121.196 119.300 -0.039 0.000 3.140 391 C HA 0.331 4.791 4.460 0.000 0.000 0.374 391 C C -0.752 174.252 174.990 0.022 0.000 1.055 391 C CA -1.093 57.923 59.018 -0.003 0.000 1.315 391 C CB -0.268 27.453 27.740 -0.031 0.000 1.732 391 C HN 0.971 nan 8.230 nan 0.000 0.532 392 D N 2.404 122.846 120.400 0.070 0.000 3.061 392 D HA 0.017 4.657 4.640 0.000 0.000 0.226 392 D C 1.477 177.821 176.300 0.072 0.000 1.168 392 D CA 0.919 54.947 54.000 0.047 0.000 0.822 392 D CB 0.659 41.569 40.800 0.184 0.000 1.152 392 D HN 0.965 nan 8.370 nan 0.000 0.555 393 A N 3.127 125.956 122.820 0.014 0.000 1.985 393 A HA -0.289 4.031 4.320 0.000 0.000 0.223 393 A C 1.987 179.657 177.584 0.142 0.000 1.189 393 A CA 1.635 53.714 52.037 0.069 0.000 0.658 393 A CB -0.487 18.530 19.000 0.029 0.000 0.820 393 A HN 0.583 nan 8.150 nan 0.000 0.464 394 L N -0.754 120.553 121.223 0.140 0.000 2.027 394 L HA -0.088 4.252 4.340 0.000 0.000 0.206 394 L C 2.516 179.598 176.870 0.354 0.000 1.074 394 L CA 2.848 57.840 54.840 0.252 0.000 0.745 394 L CB -1.100 41.161 42.059 0.337 0.000 0.898 394 L HN 0.368 nan 8.230 nan 0.000 0.433 395 T N -0.311 114.451 114.554 0.346 0.000 2.812 395 T HA -0.127 4.223 4.350 0.000 0.000 0.264 395 T C 1.763 176.569 174.700 0.176 0.000 1.042 395 T CA 1.401 63.639 62.100 0.230 0.000 1.140 395 T CB -0.319 68.662 68.868 0.187 0.000 0.870 395 T HN 0.273 nan 8.240 nan 0.000 0.445 396 L N 1.044 122.371 121.223 0.174 0.000 2.131 396 L HA -0.070 4.270 4.340 0.000 0.000 0.210 396 L C 2.228 179.210 176.870 0.185 0.000 1.092 396 L CA 1.799 56.728 54.840 0.148 0.000 0.759 396 L CB -0.754 41.377 42.059 0.119 0.000 0.903 396 L HN 0.364 nan 8.230 nan 0.000 0.435 397 H N -0.577 118.571 119.070 0.130 0.000 2.436 397 H HA -0.026 4.530 4.556 0.000 0.000 0.294 397 H C 2.196 177.611 175.328 0.144 0.000 1.048 397 H CA 1.773 57.901 56.048 0.133 0.000 1.353 397 H CB 0.197 30.034 29.762 0.126 0.000 1.414 397 H HN 0.431 nan 8.280 nan 0.000 0.536 398 I N 0.450 121.217 120.570 0.329 0.000 2.202 398 I HA -0.244 3.926 4.170 0.000 0.000 0.242 398 I C 2.762 178.978 176.117 0.164 0.000 1.091 398 I CA 1.038 62.490 61.300 0.253 0.000 1.368 398 I CB -0.171 37.939 38.000 0.183 0.000 1.058 398 I HN 0.166 nan 8.210 nan 0.000 0.410 399 R N 0.489 121.080 120.500 0.152 0.000 2.075 399 R HA -0.181 4.159 4.340 0.000 0.000 0.232 399 R C 2.180 178.590 176.300 0.182 0.000 1.126 399 R CA 1.175 57.389 56.100 0.189 0.000 0.963 399 R CB -0.339 30.063 30.300 0.170 0.000 0.858 399 R HN 0.321 nan 8.270 nan 0.000 0.435 400 E N 0.174 120.446 120.200 0.121 0.000 2.396 400 E HA -0.153 4.197 4.350 0.000 0.000 0.200 400 E C 0.571 177.176 176.600 0.009 0.000 1.023 400 E CA 1.130 57.580 56.400 0.083 0.000 0.857 400 E CB 0.232 29.952 29.700 0.035 0.000 0.775 400 E HN 0.306 nan 8.360 nan 0.000 0.525 401 T N -0.506 114.062 114.554 0.024 0.000 2.983 401 T HA -0.075 4.275 4.350 0.000 0.000 0.250 401 T C 1.282 176.057 174.700 0.125 0.000 1.037 401 T CA 0.545 62.675 62.100 0.051 0.000 1.142 401 T CB -0.347 68.582 68.868 0.102 0.000 0.876 401 T HN 0.269 nan 8.240 nan 0.000 0.455 402 Y N 1.757 122.083 120.300 0.044 0.000 2.293 402 Y HA 0.091 4.641 4.550 0.000 0.000 0.291 402 Y C 2.031 177.934 175.900 0.004 0.000 1.137 402 Y CA -0.047 58.088 58.100 0.059 0.000 1.202 402 Y CB -0.429 38.088 38.460 0.095 0.000 0.990 402 Y HN 0.080 nan 8.280 nan 0.000 0.537 403 I N 0.358 120.882 120.570 -0.077 0.000 2.286 403 I HA -0.299 3.871 4.170 0.000 0.000 0.248 403 I C 2.210 178.153 176.117 -0.291 0.000 1.115 403 I CA 1.748 62.914 61.300 -0.224 0.000 1.392 403 I CB -0.534 37.385 38.000 -0.135 0.000 1.065 403 I HN 0.459 nan 8.210 nan 0.000 0.418 404 M N -0.099 119.360 119.600 -0.235 0.000 2.156 404 M HA -0.206 4.274 4.480 0.000 0.000 0.264 404 M C 2.155 178.123 176.300 -0.553 0.000 1.067 404 M CA 1.447 56.538 55.300 -0.347 0.000 1.131 404 M CB -0.160 32.258 32.600 -0.304 0.000 1.368 404 M HN 0.248 nan 8.290 nan 0.000 0.416 405 L N 1.022 121.974 121.223 -0.451 0.000 2.043 405 L HA -0.205 4.135 4.340 0.000 0.000 0.212 405 L C 1.907 178.644 176.870 -0.221 0.000 1.075 405 L CA 1.933 56.606 54.840 -0.278 0.000 0.752 405 L CB -0.692 41.446 42.059 0.132 0.000 0.891 405 L HN 0.390 nan 8.230 nan 0.000 0.432 406 L N -1.193 119.827 121.223 -0.338 0.000 1.988 406 L HA -0.146 4.194 4.340 0.000 0.000 0.207 406 L C 2.831 179.541 176.870 -0.267 0.000 1.071 406 L CA 0.877 55.521 54.840 -0.326 0.000 0.744 406 L CB -0.698 41.079 42.059 -0.470 0.000 0.893 406 L HN 0.186 nan 8.230 nan 0.000 0.433 407 R N -0.064 120.251 120.500 -0.309 0.000 2.113 407 R HA -0.191 4.149 4.340 0.000 0.000 0.244 407 R C 2.454 178.687 176.300 -0.112 0.000 1.142 407 R CA 1.656 57.621 56.100 -0.225 0.000 0.953 407 R CB -1.391 28.767 30.300 -0.236 0.000 0.860 407 R HN 0.337 nan 8.270 nan 0.000 0.438 408 S N 1.516 117.138 115.700 -0.131 0.000 2.380 408 S HA -0.203 4.267 4.470 0.000 0.000 0.229 408 S C 1.734 176.411 174.600 0.128 0.000 1.050 408 S CA 2.160 60.366 58.200 0.010 0.000 1.100 408 S CB -0.190 63.045 63.200 0.059 0.000 0.984 408 S HN 0.535 nan 8.310 nan 0.000 0.434 409 M N 0.978 120.639 119.600 0.101 0.000 2.654 409 M HA 0.248 4.728 4.480 0.000 0.000 0.217 409 M C 0.431 176.843 176.300 0.187 0.000 1.183 409 M CA 0.147 55.565 55.300 0.197 0.000 0.991 409 M CB -0.813 31.827 32.600 0.068 0.000 1.749 409 M HN 0.436 nan 8.290 nan 0.000 0.475 410 H N 1.507 120.541 119.070 -0.060 0.000 2.707 410 H HA 0.237 4.793 4.556 0.000 0.000 0.359 410 H C -0.793 174.432 175.328 -0.172 0.000 1.113 410 H CA -0.412 55.502 56.048 -0.223 0.000 1.422 410 H CB 0.836 30.415 29.762 -0.306 0.000 1.443 410 H HN 0.412 nan 8.280 nan 0.000 0.591 411 Q N 3.731 123.727 119.800 0.327 0.000 2.325 411 Q HA 0.143 4.483 4.340 0.000 0.000 0.270 411 Q C -1.511 174.537 176.000 0.080 0.000 1.020 411 Q CA -0.960 54.908 55.803 0.110 0.000 0.785 411 Q CB 1.413 30.233 28.738 0.136 0.000 1.259 411 Q HN 0.711 nan 8.270 nan 0.000 0.452 412 D N 5.889 126.222 120.400 -0.111 0.000 2.426 412 D HA 0.032 4.672 4.640 0.000 0.000 0.261 412 D C -1.691 174.630 176.300 0.035 0.000 1.245 412 D CA -1.413 52.531 54.000 -0.094 0.000 0.917 412 D CB 1.182 41.900 40.800 -0.137 0.000 1.123 412 D HN 0.445 nan 8.370 nan 0.000 0.508 413 P HA -0.187 nan 4.420 nan 0.000 0.216 413 P C 1.417 178.808 177.300 0.151 0.000 1.154 413 P CA 1.370 64.549 63.100 0.132 0.000 0.865 413 P CB 0.074 31.824 31.700 0.084 0.000 0.789 414 T N -1.151 113.458 114.554 0.091 0.000 2.720 414 T HA -0.231 4.119 4.350 0.000 0.000 0.268 414 T C 1.886 176.648 174.700 0.104 0.000 1.037 414 T CA 1.477 63.630 62.100 0.088 0.000 1.144 414 T CB -0.720 68.178 68.868 0.049 0.000 0.864 414 T HN 0.157 nan 8.240 nan 0.000 0.444 415 Q N -0.149 119.705 119.800 0.090 0.000 2.291 415 Q HA -0.037 4.303 4.340 0.000 0.000 0.206 415 Q C 2.188 178.288 176.000 0.167 0.000 0.976 415 Q CA 0.776 56.640 55.803 0.102 0.000 0.875 415 Q CB -0.161 28.617 28.738 0.068 0.000 0.927 415 Q HN 0.488 nan 8.270 nan 0.000 0.450 416 I N 0.051 120.752 120.570 0.219 0.000 2.399 416 I HA -0.260 3.910 4.170 0.000 0.000 0.254 416 I C 2.071 178.356 176.117 0.279 0.000 1.146 416 I CA 1.188 62.669 61.300 0.300 0.000 1.412 416 I CB -0.856 37.348 38.000 0.341 0.000 1.076 416 I HN 0.111 nan 8.210 nan 0.000 0.432 417 V N 0.374 120.420 119.914 0.221 0.000 2.307 417 V HA -0.274 3.846 4.120 0.000 0.000 0.245 417 V C 2.494 178.692 176.094 0.173 0.000 1.045 417 V CA 1.565 63.988 62.300 0.205 0.000 1.024 417 V CB -0.613 31.311 31.823 0.168 0.000 0.651 417 V HN 0.454 nan 8.190 nan 0.000 0.449 418 Q N -0.700 119.187 119.800 0.146 0.000 2.084 418 Q HA -0.164 4.177 4.340 0.000 0.000 0.202 418 Q C 2.315 178.396 176.000 0.136 0.000 0.978 418 Q CA 1.419 57.293 55.803 0.117 0.000 0.844 418 Q CB -0.180 28.614 28.738 0.094 0.000 0.898 418 Q HN 0.476 nan 8.270 nan 0.000 0.426 419 I N 0.133 120.812 120.570 0.181 0.000 2.163 419 I HA -0.229 3.941 4.170 0.000 0.000 0.243 419 I C 2.304 178.557 176.117 0.225 0.000 1.085 419 I CA 1.237 62.661 61.300 0.206 0.000 1.347 419 I CB -1.219 36.950 38.000 0.281 0.000 1.044 419 I HN 0.067 nan 8.210 nan 0.000 0.408 420 V N 1.211 121.281 119.914 0.259 0.000 2.358 420 V HA -0.215 3.905 4.120 0.000 0.000 0.246 420 V C 2.355 178.498 176.094 0.082 0.000 1.047 420 V CA 1.481 63.944 62.300 0.271 0.000 1.035 420 V CB -0.714 31.279 31.823 0.283 0.000 0.658 420 V HN 0.408 nan 8.190 nan 0.000 0.452 421 N N 0.216 118.960 118.700 0.072 0.000 2.061 421 N HA -0.202 4.538 4.740 0.000 0.000 0.193 421 N C 1.858 177.379 175.510 0.018 0.000 1.030 421 N CA 1.862 54.926 53.050 0.023 0.000 0.856 421 N CB -0.113 38.405 38.487 0.052 0.000 1.023 421 N HN 0.632 nan 8.380 nan 0.000 0.424 422 E N -0.093 120.140 120.200 0.055 0.000 2.051 422 E HA -0.003 4.347 4.350 0.000 0.000 0.189 422 E C 2.132 178.767 176.600 0.059 0.000 0.979 422 E CA 0.604 57.031 56.400 0.045 0.000 0.803 422 E CB -0.096 29.634 29.700 0.049 0.000 0.761 422 E HN 0.279 nan 8.360 nan 0.000 0.451 423 C N 0.768 120.141 119.300 0.121 0.000 2.401 423 C HA -0.083 4.377 4.460 0.000 0.000 0.286 423 C C 2.455 177.556 174.990 0.184 0.000 1.332 423 C CA 0.997 60.124 59.018 0.181 0.000 1.795 423 C CB -0.918 26.989 27.740 0.279 0.000 1.922 423 C HN 0.450 nan 8.230 nan 0.000 0.520 424 A N -0.405 122.446 122.820 0.052 0.000 2.390 424 A HA 0.257 4.577 4.320 0.000 0.000 0.232 424 A C 0.620 178.139 177.584 -0.108 0.000 1.233 424 A CA 0.198 52.158 52.037 -0.129 0.000 0.907 424 A CB -0.203 18.505 19.000 -0.487 0.000 0.967 424 A HN 0.531 nan 8.150 nan 0.000 0.512 425 N N 0.702 119.371 118.700 -0.052 0.000 2.815 425 N HA -0.189 4.551 4.740 0.000 0.000 0.248 425 N C 0.143 175.637 175.510 -0.026 0.000 1.110 425 N CA 0.978 54.005 53.050 -0.039 0.000 0.699 425 N CB -1.816 36.633 38.487 -0.064 0.000 1.040 425 N HN 0.594 nan 8.380 nan 0.000 0.555 426 N N -2.320 116.364 118.700 -0.026 0.000 2.946 426 N HA -0.269 4.471 4.740 0.000 0.000 0.223 426 N C 0.949 176.452 175.510 -0.011 0.000 0.850 426 N CA 1.632 54.673 53.050 -0.014 0.000 1.057 426 N CB -1.267 37.219 38.487 -0.002 0.000 1.020 426 N HN 0.464 nan 8.380 nan 0.000 0.616 427 L N -0.231 120.990 121.223 -0.003 0.000 2.081 427 L HA -0.084 4.256 4.340 0.000 0.000 0.212 427 L C 0.881 177.742 176.870 -0.016 0.000 1.080 427 L CA 1.212 56.066 54.840 0.023 0.000 0.754 427 L CB -0.124 42.006 42.059 0.118 0.000 0.893 427 L HN 0.137 nan 8.230 nan 0.000 0.433 428 L N 0.059 121.248 121.223 -0.055 0.000 2.349 428 L HA 0.367 4.707 4.340 0.000 0.000 0.278 428 L C -0.504 176.322 176.870 -0.073 0.000 0.996 428 L CA -0.144 54.640 54.840 -0.092 0.000 0.825 428 L CB 1.443 43.363 42.059 -0.232 0.000 1.243 428 L HN -0.050 nan 8.230 nan 0.000 0.412 429 N N 2.282 121.002 118.700 0.034 0.000 2.314 429 N HA 0.749 5.489 4.740 0.000 0.000 0.294 429 N C -1.063 174.569 175.510 0.204 0.000 1.029 429 N CA -0.250 52.855 53.050 0.091 0.000 0.845 429 N CB 1.711 40.263 38.487 0.108 0.000 1.321 429 N HN 0.594 nan 8.380 nan 0.000 0.481 430 S N 0.978 116.781 115.700 0.172 0.000 2.841 430 S HA 0.848 5.318 4.470 0.000 0.000 0.318 430 S C -0.954 173.830 174.600 0.306 0.000 1.127 430 S CA -0.618 57.729 58.200 0.246 0.000 0.883 430 S CB 1.171 64.454 63.200 0.137 0.000 1.271 430 S HN 0.750 nan 8.310 nan 0.000 0.567 431 T N -1.460 113.294 114.554 0.333 0.000 3.105 431 T HA 0.645 4.995 4.350 0.000 0.000 0.321 431 T C -1.054 173.793 174.700 0.244 0.000 1.135 431 T CA -0.659 61.603 62.100 0.270 0.000 1.053 431 T CB 0.402 69.439 68.868 0.280 0.000 1.133 431 T HN 0.669 nan 8.240 nan 0.000 0.463 432 I N 3.705 124.393 120.570 0.197 0.000 2.563 432 I HA 0.320 4.490 4.170 0.000 0.000 0.276 432 I C -2.256 173.934 176.117 0.122 0.000 1.074 432 I CA -2.156 59.240 61.300 0.159 0.000 1.124 432 I CB 1.752 39.852 38.000 0.166 0.000 1.225 432 I HN 0.473 nan 8.210 nan 0.000 0.482 433 P HA 0.143 nan 4.420 nan 0.000 0.264 433 P C -0.710 176.640 177.300 0.083 0.000 1.183 433 P CA 0.353 63.497 63.100 0.073 0.000 0.763 433 P CB 0.853 32.578 31.700 0.040 0.000 0.807 434 I N -0.974 119.643 120.570 0.077 0.000 2.529 434 I HA 0.275 4.445 4.170 0.000 0.000 0.284 434 I C -0.117 176.035 176.117 0.059 0.000 1.088 434 I CA -0.974 60.375 61.300 0.082 0.000 1.062 434 I CB 1.689 39.747 38.000 0.097 0.000 1.218 434 I HN 0.147 nan 8.210 nan 0.000 0.442 435 S N 6.681 122.414 115.700 0.055 0.000 2.457 435 S HA 0.408 4.878 4.470 0.000 0.000 0.294 435 S C 0.121 174.738 174.600 0.028 0.000 1.201 435 S CA -0.593 57.630 58.200 0.039 0.000 1.112 435 S CB -0.173 63.051 63.200 0.041 0.000 1.018 435 S HN 0.591 nan 8.310 nan 0.000 0.511 436 L N 4.352 125.588 121.223 0.022 0.000 2.416 436 L HA 0.401 4.741 4.340 0.000 0.000 0.272 436 L C 0.884 177.759 176.870 0.009 0.000 1.161 436 L CA -0.246 54.601 54.840 0.012 0.000 0.845 436 L CB -0.009 42.054 42.059 0.008 0.000 1.119 436 L HN 0.629 nan 8.230 nan 0.000 0.464 437 R N 2.654 123.157 120.500 0.005 0.000 2.855 437 R HA 0.416 4.756 4.340 0.000 0.000 0.266 437 R C -2.073 174.237 176.300 0.016 0.000 1.034 437 R CA -1.977 54.128 56.100 0.008 0.000 0.944 437 R CB -0.083 30.220 30.300 0.005 0.000 1.219 437 R HN 0.198 nan 8.270 nan 0.000 0.474 438 P HA -0.120 nan 4.420 nan 0.000 0.216 438 P C 0.362 177.704 177.300 0.070 0.000 1.150 438 P CA 1.592 64.714 63.100 0.038 0.000 0.837 438 P CB 0.170 31.891 31.700 0.035 0.000 0.786 439 T N -2.740 111.860 114.554 0.077 0.000 2.932 439 T HA 0.715 5.065 4.350 0.000 0.000 0.289 439 T C -0.513 174.209 174.700 0.036 0.000 1.039 439 T CA -0.958 61.230 62.100 0.146 0.000 1.024 439 T CB 1.853 70.843 68.868 0.203 0.000 1.090 439 T HN -0.009 nan 8.240 nan 0.000 0.496 440 I N 0.726 121.272 120.570 -0.039 0.000 2.462 440 I HA 0.439 4.609 4.170 0.000 0.000 0.307 440 I C -2.639 173.203 176.117 -0.457 0.000 2.026 440 I CA -0.982 60.191 61.300 -0.211 0.000 0.950 440 I CB 1.508 39.441 38.000 -0.112 0.000 1.615 440 I HN 0.910 nan 8.210 nan 0.000 0.603 441 L N 8.022 128.854 121.223 -0.651 0.000 2.661 441 L HA 0.553 4.893 4.340 0.000 0.000 0.263 441 L C -1.647 174.696 176.870 -0.878 0.000 0.956 441 L CA 0.035 54.316 54.840 -0.931 0.000 0.918 441 L CB 1.283 42.824 42.059 -0.865 0.000 1.280 441 L HN 0.670 nan 8.230 nan 0.000 0.416 442 C N 6.019 124.485 119.300 -1.390 0.000 2.439 442 C HA 0.443 4.903 4.460 0.000 0.000 0.298 442 C C -2.155 172.010 174.990 -1.376 0.000 1.094 442 C CA -1.196 56.807 59.018 -1.691 0.000 1.609 442 C CB 0.232 26.518 27.740 -2.423 0.000 1.723 442 C HN 0.591 nan 8.230 nan 0.000 0.423 443 P HA 0.048 nan 4.420 nan 0.000 0.241 443 P C -0.072 177.203 177.300 -0.042 0.000 1.760 443 P CA 0.430 63.343 63.100 -0.313 0.000 1.081 443 P CB 0.028 31.636 31.700 -0.153 0.000 1.975 444 W N 0.876 122.149 121.300 -0.046 0.000 2.714 444 W HA 0.276 4.936 4.660 0.000 0.000 0.353 444 W C 0.084 176.674 176.519 0.119 0.000 0.999 444 W CA -0.460 56.852 57.345 -0.054 0.000 1.629 444 W CB -0.571 28.597 29.460 -0.487 0.000 1.106 444 W HN 0.085 nan 8.180 nan 0.000 0.545 445 F N 2.384 122.428 119.950 0.157 0.000 2.427 445 F HA 0.745 5.272 4.527 0.000 0.000 0.346 445 F C -0.374 175.485 175.800 0.097 0.000 1.120 445 F CA -1.120 56.967 58.000 0.145 0.000 1.033 445 F CB 0.938 39.995 39.000 0.095 0.000 1.126 445 F HN -0.148 nan 8.300 nan 0.000 0.462 446 A N 4.493 126.733 122.820 -0.967 0.000 2.356 446 A HA 0.601 4.921 4.320 0.000 0.000 0.310 446 A C -0.509 176.427 177.584 -1.080 0.000 1.075 446 A CA -0.371 51.148 52.037 -0.864 0.000 0.746 446 A CB 0.754 19.554 19.000 -0.333 0.000 1.221 446 A HN 0.986 nan 8.150 nan 0.000 0.443 447 S N 1.533 116.738 115.700 -0.824 0.000 2.593 447 S HA 0.215 4.685 4.470 0.000 0.000 0.269 447 S C 1.255 175.764 174.600 -0.151 0.000 1.334 447 S CA 0.378 58.398 58.200 -0.301 0.000 1.015 447 S CB 1.273 64.477 63.200 0.006 0.000 0.912 447 S HN 1.242 nan 8.310 nan 0.000 0.541 448 S N 0.439 116.116 115.700 -0.038 0.000 2.419 448 S HA -0.154 4.316 4.470 0.000 0.000 0.233 448 S C 1.747 176.321 174.600 -0.043 0.000 1.016 448 S CA 1.509 59.692 58.200 -0.029 0.000 0.974 448 S CB -0.753 62.451 63.200 0.007 0.000 0.786 448 S HN 0.819 nan 8.310 nan 0.000 0.492 449 E N 1.908 122.088 120.200 -0.034 0.000 2.085 449 E HA -0.154 4.196 4.350 0.000 0.000 0.194 449 E C 1.718 178.268 176.600 -0.083 0.000 0.994 449 E CA 1.729 58.103 56.400 -0.042 0.000 0.801 449 E CB -0.521 29.166 29.700 -0.020 0.000 0.743 449 E HN 0.629 nan 8.360 nan 0.000 0.453 450 D N -0.386 119.950 120.400 -0.107 0.000 2.144 450 D HA -0.087 4.553 4.640 0.000 0.000 0.207 450 D C 2.198 178.408 176.300 -0.150 0.000 0.970 450 D CA 0.659 54.575 54.000 -0.141 0.000 0.853 450 D CB -0.278 40.431 40.800 -0.152 0.000 1.007 450 D HN 0.260 nan 8.370 nan 0.000 0.469 451 L N 0.364 121.508 121.223 -0.130 0.000 2.211 451 L HA -0.190 4.150 4.340 0.000 0.000 0.216 451 L C 2.744 179.553 176.870 -0.101 0.000 1.092 451 L CA 1.086 55.863 54.840 -0.105 0.000 0.767 451 L CB -0.204 41.816 42.059 -0.066 0.000 0.894 451 L HN 0.027 nan 8.230 nan 0.000 0.437 452 R N -0.700 119.738 120.500 -0.103 0.000 2.153 452 R HA -0.072 4.268 4.340 0.000 0.000 0.218 452 R C 2.110 178.313 176.300 -0.163 0.000 1.072 452 R CA 0.648 56.686 56.100 -0.103 0.000 0.990 452 R CB -0.083 30.172 30.300 -0.077 0.000 0.889 452 R HN 0.255 nan 8.270 nan 0.000 0.452 453 L N 0.719 121.814 121.223 -0.213 0.000 2.478 453 L HA -0.069 4.271 4.340 0.000 0.000 0.223 453 L C 2.083 178.767 176.870 -0.310 0.000 1.140 453 L CA 1.018 55.670 54.840 -0.313 0.000 0.842 453 L CB 0.125 41.928 42.059 -0.427 0.000 0.953 453 L HN 0.043 nan 8.230 nan 0.000 0.452 454 Q N -0.795 118.846 119.800 -0.266 0.000 2.250 454 Q HA -0.164 4.176 4.340 0.000 0.000 0.200 454 Q C 2.049 177.810 176.000 -0.399 0.000 0.941 454 Q CA 1.281 56.889 55.803 -0.326 0.000 0.872 454 Q CB -0.015 28.575 28.738 -0.247 0.000 0.965 454 Q HN 0.501 nan 8.270 nan 0.000 0.480 455 Q N -0.206 119.457 119.800 -0.229 0.000 1.969 455 Q HA -0.019 4.321 4.340 0.000 0.000 0.198 455 Q C 1.857 177.724 176.000 -0.223 0.000 0.978 455 Q CA 2.094 57.807 55.803 -0.149 0.000 0.830 455 Q CB -0.538 28.165 28.738 -0.059 0.000 0.896 455 Q HN 0.292 nan 8.270 nan 0.000 0.431 456 V N 1.074 120.856 119.914 -0.219 0.000 2.982 456 V HA -0.231 3.889 4.120 0.000 0.000 0.265 456 V C 2.120 178.107 176.094 -0.178 0.000 1.122 456 V CA 1.558 63.731 62.300 -0.212 0.000 1.143 456 V CB -0.653 31.080 31.823 -0.149 0.000 0.726 456 V HN 0.401 nan 8.190 nan 0.000 0.507 457 M N -0.357 119.111 119.600 -0.220 0.000 2.160 457 M HA -0.051 4.429 4.480 0.000 0.000 0.264 457 M C 2.100 178.322 176.300 -0.129 0.000 1.073 457 M CA 1.772 56.959 55.300 -0.189 0.000 1.142 457 M CB -0.812 31.619 32.600 -0.281 0.000 1.358 457 M HN 0.353 nan 8.290 nan 0.000 0.422 458 H N -0.623 118.384 119.070 -0.104 0.000 2.489 458 H HA -0.046 4.510 4.556 0.000 0.000 0.293 458 H C 1.948 177.197 175.328 -0.131 0.000 1.066 458 H CA 1.265 57.252 56.048 -0.102 0.000 1.305 458 H CB -0.502 29.191 29.762 -0.115 0.000 1.386 458 H HN 0.272 nan 8.280 nan 0.000 0.551 459 L N 0.192 121.362 121.223 -0.088 0.000 2.201 459 L HA -0.074 4.266 4.340 0.000 0.000 0.212 459 L C 2.246 179.098 176.870 -0.029 0.000 1.105 459 L CA 0.813 55.550 54.840 -0.172 0.000 0.775 459 L CB -0.257 41.595 42.059 -0.344 0.000 0.913 459 L HN -0.023 nan 8.230 nan 0.000 0.440 460 V N -0.532 119.391 119.914 0.016 0.000 2.446 460 V HA -0.132 3.988 4.120 0.000 0.000 0.244 460 V C 2.158 178.358 176.094 0.176 0.000 1.039 460 V CA 1.286 63.650 62.300 0.106 0.000 1.045 460 V CB -0.523 31.334 31.823 0.057 0.000 0.681 460 V HN 0.477 nan 8.190 nan 0.000 0.459 461 N N 0.382 119.154 118.700 0.120 0.000 2.188 461 N HA -0.035 4.705 4.740 0.000 0.000 0.184 461 N C 1.819 177.381 175.510 0.087 0.000 1.018 461 N CA 1.442 54.569 53.050 0.128 0.000 0.858 461 N CB -0.096 38.455 38.487 0.106 0.000 0.989 461 N HN 0.409 nan 8.380 nan 0.000 0.426 462 I N 0.538 121.136 120.570 0.046 0.000 2.252 462 I HA -0.179 3.991 4.170 0.000 0.000 0.245 462 I C 1.441 177.559 176.117 0.002 0.000 1.102 462 I CA 0.262 61.564 61.300 0.003 0.000 1.385 462 I CB -0.310 37.672 38.000 -0.031 0.000 1.064 462 I HN 0.081 nan 8.210 nan 0.000 0.414 463 S N 0.011 115.733 115.700 0.037 0.000 3.160 463 S HA -0.334 4.136 4.470 0.000 0.000 0.634 463 S C 1.373 175.975 174.600 0.004 0.000 2.861 463 S CA 0.877 59.093 58.200 0.026 0.000 3.097 463 S CB -1.018 62.106 63.200 -0.126 0.000 0.331 463 S HN 0.363 nan 8.310 nan 0.000 1.767 464 S N 1.581 117.289 115.700 0.014 0.000 2.419 464 S HA -0.086 4.384 4.470 0.000 0.000 0.235 464 S C 1.004 175.598 174.600 -0.009 0.000 1.019 464 S CA 0.987 59.246 58.200 0.098 0.000 0.982 464 S CB -0.712 62.698 63.200 0.349 0.000 0.789 464 S HN 0.742 nan 8.310 nan 0.000 0.490 465 N N 2.471 121.156 118.700 -0.024 0.000 2.347 465 N HA -0.092 4.648 4.740 0.000 0.000 0.278 465 N C 1.144 176.619 175.510 -0.058 0.000 1.367 465 N CA 0.859 53.889 53.050 -0.034 0.000 0.898 465 N CB 0.784 39.246 38.487 -0.041 0.000 1.203 465 N HN 0.397 nan 8.380 nan 0.000 0.491 466 T N 1.630 116.142 114.554 -0.070 0.000 2.985 466 T HA 0.006 4.356 4.350 0.000 0.000 0.266 466 T C 1.761 176.432 174.700 -0.049 0.000 1.076 466 T CA 0.982 63.034 62.100 -0.080 0.000 1.135 466 T CB -0.123 68.692 68.868 -0.087 0.000 0.890 466 T HN 0.440 nan 8.240 nan 0.000 0.480 467 A N 1.148 123.948 122.820 -0.032 0.000 2.019 467 A HA 0.412 4.732 4.320 0.000 0.000 0.219 467 A C 2.603 180.168 177.584 -0.033 0.000 1.164 467 A CA 1.611 53.633 52.037 -0.025 0.000 0.644 467 A CB -1.048 17.944 19.000 -0.014 0.000 0.805 467 A HN 0.811 nan 8.150 nan 0.000 0.449 468 A N -1.181 121.615 122.820 -0.040 0.000 2.147 468 A HA 0.534 4.854 4.320 0.000 0.000 0.211 468 A C 2.159 179.698 177.584 -0.074 0.000 1.160 468 A CA 1.156 53.164 52.037 -0.048 0.000 0.781 468 A CB -0.381 18.598 19.000 -0.036 0.000 0.842 468 A HN 0.801 nan 8.150 nan 0.000 0.475 469 A N -0.525 122.250 122.820 -0.075 0.000 1.943 469 A HA 0.204 4.524 4.320 0.000 0.000 0.213 469 A C 1.906 179.426 177.584 -0.106 0.000 1.181 469 A CA 1.114 53.092 52.037 -0.099 0.000 0.653 469 A CB -0.449 18.509 19.000 -0.070 0.000 0.833 469 A HN 0.517 nan 8.150 nan 0.000 0.451 470 L N 0.519 121.701 121.223 -0.067 0.000 2.127 470 L HA -0.023 4.317 4.340 0.000 0.000 0.211 470 L C -0.974 175.862 176.870 -0.056 0.000 1.089 470 L CA 1.980 56.791 54.840 -0.047 0.000 0.757 470 L CB -0.953 41.092 42.059 -0.024 0.000 0.899 470 L HN 0.148 nan 8.230 nan 0.000 0.434 471 P HA -0.148 nan 4.420 nan 0.000 0.218 471 P C 1.841 179.083 177.300 -0.097 0.000 1.148 471 P CA 1.187 64.247 63.100 -0.067 0.000 0.822 471 P CB 0.061 31.719 31.700 -0.069 0.000 0.784 472 L N -0.863 120.255 121.223 -0.175 0.000 2.093 472 L HA -0.108 4.232 4.340 0.000 0.000 0.208 472 L C 2.240 178.978 176.870 -0.220 0.000 1.085 472 L CA 1.476 56.138 54.840 -0.297 0.000 0.755 472 L CB -1.276 40.435 42.059 -0.580 0.000 0.904 472 L HN -0.071 nan 8.230 nan 0.000 0.435 473 V N -4.724 115.122 119.914 -0.113 0.000 3.306 473 V HA -0.018 4.102 4.120 0.000 0.000 0.264 473 V C 1.760 177.911 176.094 0.095 0.000 1.149 473 V CA 0.951 63.303 62.300 0.085 0.000 1.143 473 V CB -0.523 31.365 31.823 0.107 0.000 0.767 473 V HN 0.460 nan 8.190 nan 0.000 0.476 474 E N 0.997 121.223 120.200 0.043 0.000 2.307 474 E HA 0.243 4.593 4.350 0.000 0.000 0.195 474 E C 2.317 178.945 176.600 0.047 0.000 0.975 474 E CA 0.815 57.245 56.400 0.051 0.000 0.878 474 E CB 0.101 29.819 29.700 0.030 0.000 0.845 474 E HN 0.651 nan 8.360 nan 0.000 0.488 475 A N 1.449 124.287 122.820 0.030 0.000 1.933 475 A HA -0.167 4.153 4.320 0.000 0.000 0.218 475 A C 2.132 179.754 177.584 0.065 0.000 1.175 475 A CA 1.072 53.125 52.037 0.027 0.000 0.628 475 A CB -0.308 18.692 19.000 -0.000 0.000 0.814 475 A HN 0.213 nan 8.150 nan 0.000 0.444 476 L N -0.690 120.605 121.223 0.120 0.000 2.162 476 L HA 0.069 4.409 4.340 0.000 0.000 0.205 476 L C 2.443 179.390 176.870 0.127 0.000 1.086 476 L CA 2.262 57.193 54.840 0.152 0.000 0.778 476 L CB -0.686 41.527 42.059 0.257 0.000 0.928 476 L HN 0.302 nan 8.230 nan 0.000 0.446 477 S N -1.618 114.160 115.700 0.129 0.000 2.440 477 S HA -0.170 4.300 4.470 0.000 0.000 0.238 477 S C 1.709 176.340 174.600 0.052 0.000 1.010 477 S CA 1.778 60.063 58.200 0.142 0.000 0.972 477 S CB -0.340 62.948 63.200 0.147 0.000 0.774 477 S HN 0.664 nan 8.310 nan 0.000 0.501 478 T N 2.323 116.892 114.554 0.025 0.000 2.739 478 T HA 0.106 4.456 4.350 0.000 0.000 0.246 478 T C 1.609 176.282 174.700 -0.045 0.000 1.058 478 T CA 0.969 63.053 62.100 -0.026 0.000 1.184 478 T CB -0.509 68.356 68.868 -0.004 0.000 0.887 478 T HN 0.193 nan 8.240 nan 0.000 0.408 479 L N 1.186 122.413 121.223 0.008 0.000 2.085 479 L HA -0.151 4.189 4.340 0.000 0.000 0.218 479 L C 2.332 179.220 176.870 0.031 0.000 1.080 479 L CA 1.453 56.313 54.840 0.033 0.000 0.776 479 L CB -1.362 40.736 42.059 0.064 0.000 0.891 479 L HN 0.256 nan 8.230 nan 0.000 0.437 480 L N -0.889 120.355 121.223 0.034 0.000 1.943 480 L HA -0.287 4.053 4.340 0.000 0.000 0.215 480 L C 2.877 179.597 176.870 -0.249 0.000 1.074 480 L CA 1.942 56.814 54.840 0.054 0.000 0.759 480 L CB -0.378 41.817 42.059 0.227 0.000 0.888 480 L HN 0.322 nan 8.230 nan 0.000 0.433 481 R N 0.011 120.119 120.500 -0.653 0.000 2.091 481 R HA -0.188 4.152 4.340 0.000 0.000 0.238 481 R C 2.077 178.085 176.300 -0.486 0.000 1.136 481 R CA 1.969 57.407 56.100 -1.104 0.000 0.959 481 R CB -0.542 29.042 30.300 -1.193 0.000 0.856 481 R HN 0.490 nan 8.270 nan 0.000 0.437 482 S N -0.741 114.803 115.700 -0.260 0.000 2.660 482 S HA 0.039 4.509 4.470 0.000 0.000 0.228 482 S C 1.207 175.769 174.600 -0.063 0.000 0.966 482 S CA 0.563 58.688 58.200 -0.126 0.000 0.940 482 S CB 0.725 63.884 63.200 -0.068 0.000 0.773 482 S HN 0.231 nan 8.310 nan 0.000 0.535 483 V N -0.352 119.528 119.914 -0.058 0.000 3.426 483 V HA 0.223 4.343 4.120 0.000 0.000 0.271 483 V C 1.024 177.167 176.094 0.082 0.000 1.530 483 V CA 0.378 62.671 62.300 -0.011 0.000 1.021 483 V CB 0.365 32.230 31.823 0.070 0.000 0.824 483 V HN 0.527 nan 8.190 nan 0.000 0.432 484 T N 3.249 117.864 114.554 0.102 0.000 2.930 484 T HA 0.148 4.498 4.350 0.000 0.000 0.306 484 T C -0.920 173.923 174.700 0.237 0.000 1.045 484 T CA -0.831 61.415 62.100 0.243 0.000 1.134 484 T CB 1.399 70.339 68.868 0.120 0.000 0.961 484 T HN 0.206 nan 8.240 nan 0.000 0.545 485 P HA 0.089 nan 4.420 nan 0.000 0.231 485 P C 0.713 177.907 177.300 -0.178 0.000 1.168 485 P CA 0.116 63.110 63.100 -0.176 0.000 0.779 485 P CB 0.169 31.755 31.700 -0.191 0.000 0.844 486 L N 1.566 122.684 121.223 -0.174 0.000 2.410 486 L HA 0.195 4.535 4.340 0.000 0.000 0.273 486 L C -0.194 176.604 176.870 -0.120 0.000 1.144 486 L CA -0.127 54.576 54.840 -0.229 0.000 0.863 486 L CB 0.994 42.721 42.059 -0.553 0.000 1.140 486 L HN -0.213 nan 8.230 nan 0.000 0.463 487 V N 7.029 126.867 119.914 -0.126 0.000 2.349 487 V HA 0.307 4.427 4.120 0.000 0.000 0.284 487 V C -0.485 175.523 176.094 -0.143 0.000 1.014 487 V CA -0.749 61.494 62.300 -0.095 0.000 0.826 487 V CB 1.550 33.319 31.823 -0.089 0.000 1.009 487 V HN 0.561 nan 8.190 nan 0.000 0.431 488 L N 6.178 127.280 121.223 -0.201 0.000 2.367 488 L HA 0.616 4.956 4.340 0.000 0.000 0.275 488 L C 0.216 176.936 176.870 -0.250 0.000 1.129 488 L CA 0.834 55.424 54.840 -0.417 0.000 0.839 488 L CB 0.489 41.967 42.059 -0.969 0.000 1.133 488 L HN 0.706 nan 8.230 nan 0.000 0.453 489 D N 4.370 124.663 120.400 -0.178 0.000 2.548 489 D HA 0.165 4.805 4.640 0.000 0.000 0.214 489 D C -2.272 174.016 176.300 -0.020 0.000 1.345 489 D CA -0.829 53.158 54.000 -0.021 0.000 0.945 489 D CB 2.843 43.637 40.800 -0.010 0.000 1.499 489 D HN 0.216 nan 8.370 nan 0.000 0.579 490 P HA -0.090 nan 4.420 nan 0.000 0.239 490 P C 1.311 178.620 177.300 0.015 0.000 1.184 490 P CA 0.543 63.659 63.100 0.027 0.000 0.760 490 P CB 0.031 31.773 31.700 0.070 0.000 0.884 491 T N -1.704 112.856 114.554 0.011 0.000 2.597 491 T HA -0.194 4.156 4.350 0.000 0.000 0.267 491 T C 1.905 176.605 174.700 -0.001 0.000 1.053 491 T CA 1.672 63.775 62.100 0.004 0.000 1.165 491 T CB -1.612 67.255 68.868 -0.001 0.000 0.863 491 T HN -0.084 nan 8.240 nan 0.000 0.427 492 V N 1.836 121.744 119.914 -0.011 0.000 2.287 492 V HA -0.111 4.009 4.120 0.000 0.000 0.248 492 V C 2.718 178.810 176.094 -0.003 0.000 1.053 492 V CA 2.003 64.297 62.300 -0.011 0.000 1.027 492 V CB -0.867 30.943 31.823 -0.021 0.000 0.646 492 V HN 0.496 nan 8.190 nan 0.000 0.447 493 L N -0.612 120.608 121.223 -0.005 0.000 1.989 493 L HA -0.230 4.110 4.340 0.000 0.000 0.211 493 L C 2.610 179.491 176.870 0.019 0.000 1.071 493 L CA 2.407 57.251 54.840 0.007 0.000 0.749 493 L CB -0.556 41.505 42.059 0.002 0.000 0.890 493 L HN 0.388 nan 8.230 nan 0.000 0.431 494 T N 0.232 114.796 114.554 0.017 0.000 2.635 494 T HA -0.202 4.148 4.350 0.000 0.000 0.267 494 T C 1.607 176.315 174.700 0.013 0.000 1.040 494 T CA 1.737 63.848 62.100 0.018 0.000 1.156 494 T CB -0.356 68.521 68.868 0.015 0.000 0.863 494 T HN 0.412 nan 8.240 nan 0.000 0.430 495 N N 1.592 120.297 118.700 0.009 0.000 2.005 495 N HA -0.161 4.579 4.740 0.000 0.000 0.199 495 N C 2.220 177.736 175.510 0.011 0.000 1.054 495 N CA 1.705 54.759 53.050 0.006 0.000 0.864 495 N CB -1.096 37.393 38.487 0.003 0.000 1.063 495 N HN 0.424 nan 8.380 nan 0.000 0.428 496 A N 1.986 124.814 122.820 0.014 0.000 1.909 496 A HA -0.225 4.095 4.320 0.000 0.000 0.221 496 A C 2.245 179.845 177.584 0.026 0.000 1.223 496 A CA 1.843 53.892 52.037 0.020 0.000 0.658 496 A CB -0.897 18.117 19.000 0.024 0.000 0.831 496 A HN 0.398 nan 8.150 nan 0.000 0.462 497 I N -0.822 119.767 120.570 0.032 0.000 2.162 497 I HA -0.144 4.026 4.170 0.000 0.000 0.238 497 I C 2.205 178.332 176.117 0.018 0.000 1.076 497 I CA 2.494 63.817 61.300 0.038 0.000 1.353 497 I CB -1.409 36.624 38.000 0.055 0.000 1.063 497 I HN 0.357 nan 8.210 nan 0.000 0.408 498 T N 1.130 115.690 114.554 0.010 0.000 2.792 498 T HA -0.245 4.105 4.350 0.000 0.000 0.268 498 T C 1.802 176.501 174.700 -0.003 0.000 1.059 498 T CA 2.260 64.359 62.100 -0.001 0.000 1.136 498 T CB -0.685 68.182 68.868 -0.001 0.000 0.846 498 T HN 0.729 nan 8.240 nan 0.000 0.489 499 T N 2.047 116.603 114.554 0.003 0.000 2.612 499 T HA -0.112 4.238 4.350 0.000 0.000 0.259 499 T C 1.252 175.952 174.700 -0.001 0.000 1.065 499 T CA 1.075 63.176 62.100 0.001 0.000 1.167 499 T CB -0.659 68.212 68.868 0.005 0.000 0.863 499 T HN 0.377 nan 8.240 nan 0.000 0.407 500 I N 2.511 123.084 120.570 0.005 0.000 2.330 500 I HA 0.494 4.664 4.170 0.000 0.000 0.280 500 I C 0.129 176.243 176.117 -0.005 0.000 1.069 500 I CA -0.959 60.343 61.300 0.004 0.000 1.873 500 I CB -1.448 36.560 38.000 0.014 0.000 1.476 500 I HN 0.524 nan 8.210 nan 0.000 0.813 525 Y N 2.825 123.255 120.300 0.216 0.000 2.685 525 Y HA 0.529 5.079 4.550 0.000 0.000 0.284 525 Y C 1.440 177.520 175.900 0.300 0.000 0.944 525 Y CA -0.223 58.005 58.100 0.213 0.000 1.107 525 Y CB 0.630 39.190 38.460 0.167 0.000 1.188 525 Y HN 0.560 nan 8.280 nan 0.000 0.635 526 A N 0.800 123.810 122.820 0.318 0.000 1.940 526 A HA -0.265 4.055 4.320 0.000 0.000 0.221 526 A C 2.458 180.173 177.584 0.218 0.000 1.190 526 A CA 2.539 54.740 52.037 0.274 0.000 0.647 526 A CB -0.827 18.265 19.000 0.153 0.000 0.821 526 A HN 0.613 nan 8.150 nan 0.000 0.457 527 A N -1.121 121.800 122.820 0.168 0.000 1.884 527 A HA -0.174 4.147 4.320 0.000 0.000 0.219 527 A C 2.090 179.721 177.584 0.079 0.000 1.197 527 A CA 2.027 54.132 52.037 0.113 0.000 0.637 527 A CB -0.874 18.193 19.000 0.111 0.000 0.827 527 A HN 0.833 nan 8.150 nan 0.000 0.450 528 F N -1.091 118.826 119.950 -0.055 0.000 2.051 528 F HA -0.157 4.370 4.527 0.000 0.000 0.296 528 F C 2.061 177.636 175.800 -0.375 0.000 1.122 528 F CA 1.866 59.704 58.000 -0.271 0.000 1.201 528 F CB -0.666 38.083 39.000 -0.418 0.000 0.978 528 F HN 0.381 nan 8.300 nan 0.000 0.472 529 W N 0.714 122.039 121.300 0.042 0.000 2.421 529 W HA -0.075 4.585 4.660 0.000 0.000 0.270 529 W C 1.822 178.258 176.519 -0.137 0.000 1.233 529 W CA 0.827 58.129 57.345 -0.073 0.000 1.226 529 W CB -0.328 29.194 29.460 0.103 0.000 1.121 529 W HN -0.102 nan 8.180 nan 0.000 0.579 530 K N -0.282 120.154 120.400 0.060 0.000 2.684 530 K HA 0.123 4.443 4.320 0.000 0.000 0.215 530 K C 0.427 176.949 176.600 -0.129 0.000 1.073 530 K CA -0.064 56.232 56.287 0.015 0.000 1.197 530 K CB -0.251 32.285 32.500 0.060 0.000 0.955 530 K HN 0.136 nan 8.250 nan 0.000 0.473 531 C N -0.683 118.405 119.300 -0.354 0.000 3.836 531 C HA 0.344 4.804 4.460 0.000 0.000 0.470 531 C C 1.750 176.045 174.990 -1.158 0.000 1.496 531 C CA -0.355 58.319 59.018 -0.573 0.000 2.135 531 C CB 0.288 27.701 27.740 -0.545 0.000 3.162 531 C HN 0.527 nan 8.230 nan 0.000 0.666 532 I N 0.931 120.882 120.570 -1.032 0.000 2.628 532 I HA 0.079 4.249 4.170 0.000 0.000 0.255 532 I C 2.572 178.511 176.117 -0.297 0.000 1.119 532 I CA 1.272 61.944 61.300 -1.047 0.000 1.448 532 I CB -0.351 37.273 38.000 -0.627 0.000 1.133 532 I HN 0.225 nan 8.210 nan 0.000 0.438 533 A N -0.261 122.492 122.820 -0.113 0.000 2.168 533 A HA -0.136 4.184 4.320 0.000 0.000 0.215 533 A C 2.357 180.003 177.584 0.104 0.000 1.152 533 A CA 1.607 53.689 52.037 0.076 0.000 0.716 533 A CB -0.437 18.650 19.000 0.146 0.000 0.794 533 A HN 0.356 nan 8.150 nan 0.000 0.465 534 S N -1.452 114.224 115.700 -0.039 0.000 2.436 534 S HA -0.079 4.391 4.470 0.000 0.000 0.228 534 S C 1.603 176.334 174.600 0.218 0.000 1.014 534 S CA 0.758 58.992 58.200 0.056 0.000 0.950 534 S CB -0.371 62.791 63.200 -0.062 0.000 0.784 534 S HN 0.735 nan 8.310 nan 0.000 0.504 535 W N 1.583 122.978 121.300 0.159 0.000 2.418 535 W HA 0.314 4.974 4.660 0.000 0.000 0.292 535 W C 2.687 179.260 176.519 0.089 0.000 1.213 535 W CA 0.300 57.781 57.345 0.226 0.000 1.283 535 W CB -1.465 28.172 29.460 0.294 0.000 1.119 535 W HN 0.395 nan 8.180 nan 0.000 0.542 536 A N -0.967 121.976 122.820 0.206 0.000 2.125 536 A HA -0.155 4.165 4.320 0.000 0.000 0.219 536 A C 0.884 178.154 177.584 -0.523 0.000 1.156 536 A CA 1.264 53.189 52.037 -0.188 0.000 0.671 536 A CB -0.836 17.957 19.000 -0.345 0.000 0.794 536 A HN 0.320 nan 8.150 nan 0.000 0.459 537 Y N -1.158 119.229 120.300 0.146 0.000 2.719 537 Y HA 0.197 4.747 4.550 0.000 0.000 0.251 537 Y C 0.462 176.439 175.900 0.129 0.000 1.159 537 Y CA -1.384 56.794 58.100 0.129 0.000 1.166 537 Y CB -0.581 37.953 38.460 0.124 0.000 1.219 537 Y HN 0.421 nan 8.280 nan 0.000 0.551 538 N N 1.454 120.258 118.700 0.172 0.000 2.396 538 N HA 0.284 5.024 4.740 0.000 0.000 0.287 538 N C 1.028 176.575 175.510 0.062 0.000 1.316 538 N CA 1.578 54.692 53.050 0.106 0.000 0.972 538 N CB -0.127 38.287 38.487 -0.122 0.000 1.341 538 N HN 0.555 nan 8.380 nan 0.000 0.487 539 G N 2.014 110.985 108.800 0.284 0.000 2.935 539 G HA2 -0.171 3.789 3.960 0.000 0.000 0.213 539 G HA3 -0.171 3.789 3.960 0.000 0.000 0.213 539 G C 0.260 175.497 174.900 0.561 0.000 0.984 539 G CA 0.203 45.493 45.100 0.316 0.000 0.790 539 G HN 0.552 nan 8.290 nan 0.000 0.538 540 L N 0.354 121.878 121.223 0.502 0.000 2.803 540 L HA 0.796 5.136 4.340 0.000 0.000 0.246 540 L C 0.145 177.140 176.870 0.209 0.000 1.100 540 L CA 0.705 55.798 54.840 0.422 0.000 0.919 540 L CB 1.722 44.017 42.059 0.394 0.000 1.285 540 L HN 0.705 nan 8.230 nan 0.000 0.522 541 V N 0.937 120.964 119.914 0.188 0.000 2.795 541 V HA 0.393 4.513 4.120 0.000 0.000 0.272 541 V C -0.392 175.745 176.094 0.072 0.000 1.130 541 V CA 0.312 62.660 62.300 0.079 0.000 0.931 541 V CB 0.844 32.701 31.823 0.057 0.000 1.062 541 V HN 0.441 nan 8.190 nan 0.000 0.476 542 T N 2.372 116.904 114.554 -0.036 0.000 2.849 542 T HA 0.546 4.896 4.350 0.000 0.000 0.284 542 T C 0.158 174.871 174.700 0.021 0.000 1.004 542 T CA -0.000 62.079 62.100 -0.035 0.000 1.021 542 T CB 1.551 70.271 68.868 -0.248 0.000 1.013 542 T HN 0.941 nan 8.240 nan 0.000 0.527 543 T N 1.770 116.371 114.554 0.078 0.000 2.842 543 T HA 0.533 4.883 4.350 0.000 0.000 0.308 543 T C 0.050 174.813 174.700 0.105 0.000 1.041 543 T CA -0.609 61.538 62.100 0.079 0.000 0.964 543 T CB -0.233 68.677 68.868 0.070 0.000 0.972 543 T HN 0.828 nan 8.240 nan 0.000 0.460 544 V N 3.846 123.818 119.914 0.096 0.000 3.336 544 V HA 0.700 4.820 4.120 0.000 0.000 0.314 544 V C -0.191 175.999 176.094 0.160 0.000 1.088 544 V CA -0.998 61.383 62.300 0.136 0.000 1.033 544 V CB 0.993 32.890 31.823 0.123 0.000 1.181 544 V HN 0.724 nan 8.190 nan 0.000 0.449 545 L N 2.745 124.103 121.223 0.225 0.000 2.264 545 L HA 0.415 4.755 4.340 0.000 0.000 0.289 545 L C 0.759 177.796 176.870 0.278 0.000 1.044 545 L CA -0.328 54.642 54.840 0.216 0.000 0.807 545 L CB 1.619 43.780 42.059 0.170 0.000 1.192 545 L HN 1.013 nan 8.230 nan 0.000 0.425 546 S N 1.011 116.824 115.700 0.189 0.000 2.626 546 S HA -0.072 4.398 4.470 0.000 0.000 0.303 546 S C 0.949 175.724 174.600 0.291 0.000 1.256 546 S CA -0.505 57.808 58.200 0.189 0.000 1.069 546 S CB 0.831 64.110 63.200 0.131 0.000 0.807 546 S HN 0.611 nan 8.310 nan 0.000 0.500 547 E N 2.207 122.574 120.200 0.279 0.000 2.171 547 E HA -0.145 4.205 4.350 0.000 0.000 0.197 547 E C 1.331 178.138 176.600 0.344 0.000 0.997 547 E CA 1.632 58.232 56.400 0.333 0.000 0.810 547 E CB -0.321 29.462 29.700 0.140 0.000 0.738 547 E HN 0.790 nan 8.360 nan 0.000 0.467 548 D N -0.070 120.460 120.400 0.217 0.000 2.149 548 D HA -0.175 4.465 4.640 0.000 0.000 0.198 548 D C 1.769 178.171 176.300 0.171 0.000 0.990 548 D CA 1.376 55.476 54.000 0.166 0.000 0.839 548 D CB -0.442 40.428 40.800 0.118 0.000 0.948 548 D HN 0.245 nan 8.370 nan 0.000 0.460 549 A N 1.015 123.927 122.820 0.153 0.000 1.892 549 A HA -0.174 4.146 4.320 0.000 0.000 0.218 549 A C 0.846 178.425 177.584 -0.009 0.000 1.188 549 A CA 0.792 52.847 52.037 0.029 0.000 0.631 549 A CB -1.040 17.895 19.000 -0.109 0.000 0.822 549 A HN 0.124 nan 8.150 nan 0.000 0.447 550 F N 0.678 120.682 119.950 0.091 0.000 2.602 550 F HA 0.249 4.776 4.527 0.000 0.000 0.367 550 F C -1.777 174.062 175.800 0.066 0.000 1.126 550 F CA -1.415 56.632 58.000 0.077 0.000 1.321 550 F CB 0.165 39.206 39.000 0.067 0.000 1.094 550 F HN 0.134 nan 8.300 nan 0.000 0.594 551 P HA 0.081 nan 4.420 nan 0.000 0.270 551 P C -1.069 176.302 177.300 0.119 0.000 1.551 551 P CA -0.531 62.653 63.100 0.140 0.000 1.049 551 P CB 0.507 32.275 31.700 0.113 0.000 1.397 552 D N 2.111 122.570 120.400 0.098 0.000 6.161 552 D HA -0.153 4.487 4.640 0.000 0.000 0.164 552 D C 0.054 176.381 176.300 0.046 0.000 1.183 552 D CA 0.582 54.620 54.000 0.062 0.000 0.754 552 D CB -0.362 40.454 40.800 0.027 0.000 1.406 552 D HN 0.336 nan 8.370 nan 0.000 0.807 553 S N 1.462 117.194 115.700 0.054 0.000 2.962 553 S HA 0.261 4.731 4.470 0.000 0.000 0.320 553 S C 0.775 175.391 174.600 0.028 0.000 1.186 553 S CA -0.058 58.170 58.200 0.045 0.000 1.180 553 S CB -0.187 63.049 63.200 0.061 0.000 1.491 553 S HN 0.808 nan 8.310 nan 0.000 0.556 554 S N -0.243 115.465 115.700 0.013 0.000 4.054 554 S HA 0.021 4.491 4.470 0.000 0.000 0.092 554 S C -0.390 174.200 174.600 -0.016 0.000 0.837 554 S CA -0.414 57.786 58.200 0.000 0.000 1.266 554 S CB -0.762 62.436 63.200 -0.004 0.000 0.808 554 S HN 0.633 nan 8.310 nan 0.000 0.746 555 Q N 1.969 121.758 119.800 -0.017 0.000 2.214 555 Q HA 0.829 5.169 4.340 0.000 0.000 0.251 555 Q C -0.258 175.740 176.000 -0.003 0.000 0.936 555 Q CA -0.119 55.659 55.803 -0.043 0.000 0.894 555 Q CB 1.805 30.508 28.738 -0.058 0.000 1.252 555 Q HN 0.306 nan 8.270 nan 0.000 0.448 556 S N 1.923 117.631 115.700 0.014 0.000 2.738 556 S HA 0.409 4.879 4.470 0.000 0.000 0.284 556 S C 0.801 175.443 174.600 0.070 0.000 1.146 556 S CA -0.636 57.587 58.200 0.039 0.000 0.997 556 S CB 0.461 63.687 63.200 0.042 0.000 1.081 556 S HN 0.771 nan 8.310 nan 0.000 0.553 557 I N 1.088 121.683 120.570 0.042 0.000 3.228 557 I HA -0.083 4.087 4.170 0.000 0.000 0.279 557 I C 2.144 178.289 176.117 0.048 0.000 1.221 557 I CA 0.807 62.128 61.300 0.035 0.000 1.458 557 I CB -0.224 37.767 38.000 -0.016 0.000 1.105 557 I HN 0.834 nan 8.210 nan 0.000 0.445 558 T N -2.268 112.317 114.554 0.051 0.000 2.881 558 T HA -0.253 4.097 4.350 0.000 0.000 0.270 558 T C 1.101 175.841 174.700 0.067 0.000 1.068 558 T CA 0.633 62.759 62.100 0.044 0.000 1.131 558 T CB -0.844 68.047 68.868 0.038 0.000 0.871 558 T HN 0.390 nan 8.240 nan 0.000 0.479 559 H N 1.653 120.731 119.070 0.014 0.000 3.215 559 H HA 0.312 4.868 4.556 0.000 0.000 0.253 559 H C 1.135 176.487 175.328 0.039 0.000 1.102 559 H CA -0.575 55.484 56.048 0.020 0.000 1.482 559 H CB -0.246 29.526 29.762 0.017 0.000 1.542 559 H HN 0.163 nan 8.280 nan 0.000 0.498 560 L N 6.313 127.386 121.223 -0.251 0.000 2.012 560 L HA -0.127 4.213 4.340 0.000 0.000 0.210 560 L C -0.463 176.349 176.870 -0.096 0.000 1.073 560 L CA 1.038 55.812 54.840 -0.109 0.000 0.748 560 L CB -1.431 40.569 42.059 -0.099 0.000 0.891 560 L HN 0.579 nan 8.230 nan 0.000 0.431 561 P HA -0.185 nan 4.420 nan 0.000 0.217 561 P C 1.893 179.238 177.300 0.075 0.000 1.148 561 P CA 1.642 64.656 63.100 -0.143 0.000 0.828 561 P CB 0.067 31.680 31.700 -0.145 0.000 0.783 562 S N -0.231 115.599 115.700 0.217 0.000 2.362 562 S HA -0.138 4.332 4.470 0.000 0.000 0.221 562 S C 1.805 176.491 174.600 0.144 0.000 1.032 562 S CA 1.585 59.945 58.200 0.266 0.000 0.973 562 S CB -0.870 62.559 63.200 0.381 0.000 0.849 562 S HN 0.037 nan 8.310 nan 0.000 0.465 563 M N -0.828 118.847 119.600 0.126 0.000 2.374 563 M HA 0.196 4.676 4.480 0.000 0.000 0.264 563 M C 1.483 177.776 176.300 -0.012 0.000 1.067 563 M CA 1.145 56.496 55.300 0.086 0.000 1.103 563 M CB -1.031 31.614 32.600 0.076 0.000 1.402 563 M HN 0.393 nan 8.290 nan 0.000 0.444 564 W N 1.198 122.405 121.300 -0.156 0.000 2.481 564 W HA 0.190 4.850 4.660 0.000 0.000 0.293 564 W C 2.317 178.600 176.519 -0.393 0.000 1.201 564 W CA 0.870 58.014 57.345 -0.335 0.000 1.328 564 W CB -0.060 29.161 29.460 -0.399 0.000 1.112 564 W HN 0.169 nan 8.180 nan 0.000 0.546 565 K N -0.561 119.834 120.400 -0.009 0.000 2.442 565 K HA -0.183 4.137 4.320 0.000 0.000 0.198 565 K C 1.916 178.509 176.600 -0.011 0.000 1.044 565 K CA 1.015 57.294 56.287 -0.013 0.000 0.948 565 K CB -0.360 32.169 32.500 0.048 0.000 0.762 565 K HN 0.209 nan 8.250 nan 0.000 0.472 566 C N 0.140 119.416 119.300 -0.040 0.000 2.524 566 C HA 0.097 4.557 4.460 0.000 0.000 0.284 566 C C 2.290 177.192 174.990 -0.146 0.000 1.346 566 C CA -0.246 58.767 59.018 -0.009 0.000 1.739 566 C CB -0.767 27.031 27.740 0.096 0.000 2.119 566 C HN 0.494 nan 8.230 nan 0.000 0.501 567 L N 0.168 121.042 121.223 -0.581 0.000 2.131 567 L HA -0.045 4.295 4.340 0.000 0.000 0.210 567 L C 1.979 178.661 176.870 -0.314 0.000 1.092 567 L CA 2.228 56.335 54.840 -1.222 0.000 0.759 567 L CB -1.097 40.003 42.059 -1.598 0.000 0.903 567 L HN 0.256 nan 8.230 nan 0.000 0.435 568 F N -0.388 119.391 119.950 -0.284 0.000 2.456 568 F HA -0.064 4.463 4.527 0.000 0.000 0.298 568 F C 2.143 177.915 175.800 -0.047 0.000 1.104 568 F CA 0.333 58.272 58.000 -0.101 0.000 1.435 568 F CB -0.698 38.301 39.000 -0.002 0.000 1.078 568 F HN 0.091 nan 8.300 nan 0.000 0.546 569 L N -0.621 120.676 121.223 0.124 0.000 2.610 569 L HA 0.006 4.346 4.340 0.000 0.000 0.232 569 L C 1.689 178.659 176.870 0.167 0.000 1.149 569 L CA 1.337 56.206 54.840 0.049 0.000 0.872 569 L CB -0.984 41.011 42.059 -0.107 0.000 0.992 569 L HN 0.014 nan 8.230 nan 0.000 0.447 570 T N -2.171 112.523 114.554 0.234 0.000 3.111 570 T HA 0.077 4.427 4.350 0.000 0.000 0.236 570 T C 1.767 176.769 174.700 0.503 0.000 0.984 570 T CA 0.392 62.760 62.100 0.447 0.000 1.195 570 T CB -0.293 68.886 68.868 0.517 0.000 0.929 570 T HN 0.119 nan 8.240 nan 0.000 0.431 571 L N 1.257 122.654 121.223 0.289 0.000 2.137 571 L HA -0.168 4.172 4.340 0.000 0.000 0.213 571 L C 2.629 179.708 176.870 0.347 0.000 1.085 571 L CA 1.452 56.465 54.840 0.290 0.000 0.760 571 L CB -0.460 41.640 42.059 0.068 0.000 0.893 571 L HN 0.339 nan 8.230 nan 0.000 0.434 572 A N -0.896 122.064 122.820 0.233 0.000 2.267 572 A HA 0.230 4.550 4.320 0.000 0.000 0.213 572 A C 2.183 179.866 177.584 0.165 0.000 1.192 572 A CA 0.607 52.746 52.037 0.169 0.000 0.851 572 A CB -0.428 18.628 19.000 0.093 0.000 0.881 572 A HN 0.377 nan 8.150 nan 0.000 0.494 573 G N 1.626 110.550 108.800 0.207 0.000 2.679 573 G HA2 -0.224 3.736 3.960 0.000 0.000 0.217 573 G HA3 -0.224 3.736 3.960 0.000 0.000 0.217 573 G C -0.274 174.600 174.900 -0.043 0.000 1.267 573 G CA 1.522 46.746 45.100 0.208 0.000 0.799 573 G HN 0.441 nan 8.290 nan 0.000 0.606 574 P HA -0.150 nan 4.420 nan 0.000 0.217 574 P C 1.860 179.004 177.300 -0.260 0.000 1.148 574 P CA 1.361 63.735 63.100 -1.209 0.000 0.834 574 P CB -0.108 30.276 31.700 -2.193 0.000 0.783 575 M N -0.443 119.239 119.600 0.137 0.000 2.435 575 M HA -0.069 4.411 4.480 0.000 0.000 0.262 575 M C 0.741 177.256 176.300 0.359 0.000 1.065 575 M CA 1.209 56.746 55.300 0.395 0.000 1.076 575 M CB -1.406 31.342 32.600 0.246 0.000 1.403 575 M HN -0.036 nan 8.290 nan 0.000 0.454 576 T N -2.903 111.819 114.554 0.279 0.000 2.849 576 T HA 0.468 4.818 4.350 0.000 0.000 0.276 576 T C 0.736 175.702 174.700 0.444 0.000 0.971 576 T CA -0.276 62.003 62.100 0.299 0.000 0.949 576 T CB 1.052 70.056 68.868 0.227 0.000 1.093 576 T HN 0.302 nan 8.240 nan 0.000 0.545 577 S N -1.224 114.728 115.700 0.421 0.000 2.651 577 S HA 0.204 4.674 4.470 0.000 0.000 0.246 577 S C -0.244 174.555 174.600 0.332 0.000 1.039 577 S CA -0.726 57.787 58.200 0.521 0.000 1.013 577 S CB -0.288 63.313 63.200 0.668 0.000 0.861 577 S HN 0.771 nan 8.310 nan 0.000 0.485 578 D N 3.407 123.952 120.400 0.241 0.000 2.295 578 D HA 0.229 4.869 4.640 0.000 0.000 0.248 578 D C -1.401 174.987 176.300 0.147 0.000 1.154 578 D CA -1.839 52.256 54.000 0.158 0.000 0.857 578 D CB 1.933 42.832 40.800 0.165 0.000 1.117 578 D HN 0.096 nan 8.370 nan 0.000 0.468 579 P HA -0.128 nan 4.420 nan 0.000 0.226 579 P C 0.448 177.643 177.300 -0.174 0.000 1.146 579 P CA 0.914 64.011 63.100 -0.005 0.000 0.773 579 P CB 0.248 31.953 31.700 0.009 0.000 0.772 580 H N -1.527 117.623 119.070 0.134 0.000 2.542 580 H HA 0.247 4.803 4.556 0.000 0.000 0.283 580 H C 1.813 177.065 175.328 -0.127 0.000 1.059 580 H CA -0.068 56.007 56.048 0.044 0.000 1.162 580 H CB 0.374 30.212 29.762 0.128 0.000 1.539 580 H HN 0.122 nan 8.280 nan 0.000 0.543 581 S N 1.499 117.176 115.700 -0.039 0.000 2.355 581 S HA -0.036 4.434 4.470 0.000 0.000 0.222 581 S C -0.607 173.783 174.600 -0.350 0.000 1.031 581 S CA 0.513 58.701 58.200 -0.020 0.000 0.993 581 S CB -0.497 62.834 63.200 0.219 0.000 0.859 581 S HN 0.253 nan 8.310 nan 0.000 0.453 582 P HA -0.068 nan 4.420 nan 0.000 0.218 582 P C 1.291 178.086 177.300 -0.841 0.000 1.146 582 P CA 0.818 63.167 63.100 -1.252 0.000 0.820 582 P CB 0.024 30.894 31.700 -1.383 0.000 0.778 583 V N -0.562 118.775 119.914 -0.961 0.000 2.341 583 V HA -0.114 4.006 4.120 0.000 0.000 0.240 583 V C 2.170 177.959 176.094 -0.509 0.000 1.035 583 V CA 1.433 63.042 62.300 -1.151 0.000 1.033 583 V CB -0.773 30.239 31.823 -1.352 0.000 0.678 583 V HN 0.025 nan 8.190 nan 0.000 0.464 584 K N -0.122 120.127 120.400 -0.252 0.000 2.127 584 K HA -0.212 4.108 4.320 0.000 0.000 0.208 584 K C 1.955 178.660 176.600 0.176 0.000 1.047 584 K CA 1.694 58.001 56.287 0.034 0.000 0.927 584 K CB -0.506 32.162 32.500 0.280 0.000 0.716 584 K HN 0.304 nan 8.250 nan 0.000 0.450 585 V N 1.153 121.149 119.914 0.137 0.000 2.216 585 V HA -0.258 3.862 4.120 0.000 0.000 0.243 585 V C 1.951 178.229 176.094 0.306 0.000 1.044 585 V CA 2.013 64.472 62.300 0.266 0.000 0.995 585 V CB -0.578 31.488 31.823 0.405 0.000 0.633 585 V HN 0.279 nan 8.190 nan 0.000 0.446 586 F N -0.047 119.960 119.950 0.096 0.000 2.141 586 F HA -0.336 4.191 4.527 0.000 0.000 0.300 586 F C 2.222 178.084 175.800 0.102 0.000 1.079 586 F CA 2.524 60.643 58.000 0.199 0.000 1.264 586 F CB -0.298 38.601 39.000 -0.168 0.000 1.011 586 F HN 0.150 nan 8.300 nan 0.000 0.487 587 M N 0.956 120.432 119.600 -0.208 0.000 2.175 587 M HA 0.010 4.490 4.480 0.000 0.000 0.264 587 M C 2.387 178.528 176.300 -0.265 0.000 1.063 587 M CA 1.702 56.747 55.300 -0.426 0.000 1.119 587 M CB -1.297 30.908 32.600 -0.658 0.000 1.377 587 M HN 0.258 nan 8.290 nan 0.000 0.415 588 A N -0.472 122.326 122.820 -0.037 0.000 1.917 588 A HA -0.203 4.117 4.320 0.000 0.000 0.219 588 A C 2.148 179.699 177.584 -0.056 0.000 1.182 588 A CA 1.926 54.004 52.037 0.069 0.000 0.633 588 A CB -1.093 18.004 19.000 0.162 0.000 0.819 588 A HN 0.501 nan 8.150 nan 0.000 0.448 589 L N -0.985 120.136 121.223 -0.169 0.000 2.240 589 L HA 0.168 4.508 4.340 0.000 0.000 0.211 589 L C 2.575 179.263 176.870 -0.304 0.000 1.106 589 L CA 1.533 56.196 54.840 -0.295 0.000 0.793 589 L CB -0.457 41.215 42.059 -0.645 0.000 0.927 589 L HN 0.326 nan 8.230 nan 0.000 0.446 590 A N -0.852 121.721 122.820 -0.413 0.000 2.067 590 A HA -0.120 4.200 4.320 0.000 0.000 0.219 590 A C 2.020 179.509 177.584 -0.158 0.000 1.158 590 A CA 1.332 53.156 52.037 -0.354 0.000 0.661 590 A CB -0.505 18.189 19.000 -0.509 0.000 0.801 590 A HN 0.526 nan 8.150 nan 0.000 0.452 591 N N 0.173 118.798 118.700 -0.125 0.000 2.176 591 N HA 0.006 4.746 4.740 0.000 0.000 0.187 591 N C 1.794 177.289 175.510 -0.026 0.000 1.043 591 N CA 1.104 54.132 53.050 -0.038 0.000 0.851 591 N CB -0.503 37.984 38.487 -0.000 0.000 1.018 591 N HN 0.410 nan 8.380 nan 0.000 0.436 592 L N 1.471 122.676 121.223 -0.030 0.000 1.997 592 L HA -0.178 4.162 4.340 0.000 0.000 0.227 592 L C 1.135 177.990 176.870 -0.024 0.000 1.087 592 L CA 1.175 56.006 54.840 -0.015 0.000 0.797 592 L CB -0.823 41.225 42.059 -0.019 0.000 0.902 592 L HN 0.243 nan 8.230 nan 0.000 0.441 593 L N -2.441 118.750 121.223 -0.053 0.000 2.422 593 L HA 0.426 4.766 4.340 0.000 0.000 0.256 593 L C 0.990 177.843 176.870 -0.028 0.000 1.202 593 L CA -0.301 54.514 54.840 -0.041 0.000 1.119 593 L CB 0.117 42.139 42.059 -0.062 0.000 1.383 593 L HN 0.000 nan 8.230 nan 0.000 0.411 594 A N 1.455 124.270 122.820 -0.009 0.000 2.095 594 A HA -0.019 4.301 4.320 0.000 0.000 0.212 594 A C 2.123 179.717 177.584 0.016 0.000 1.162 594 A CA 0.516 52.559 52.037 0.009 0.000 0.753 594 A CB 0.112 19.124 19.000 0.020 0.000 0.840 594 A HN 0.770 nan 8.150 nan 0.000 0.468 595 Q N -0.261 119.545 119.800 0.010 0.000 2.324 595 Q HA 0.019 4.359 4.340 0.000 0.000 0.207 595 Q C -0.819 175.187 176.000 0.009 0.000 0.928 595 Q CA 0.616 56.426 55.803 0.012 0.000 0.890 595 Q CB 0.019 28.763 28.738 0.010 0.000 1.001 595 Q HN 0.507 nan 8.270 nan 0.000 0.517 596 P HA -0.054 nan 4.420 nan 0.000 0.220 596 P C -0.364 176.938 177.300 0.005 0.000 1.152 596 P CA 1.068 64.167 63.100 -0.001 0.000 0.812 596 P CB 0.167 31.859 31.700 -0.012 0.000 0.792 597 E N 0.958 121.162 120.200 0.006 0.000 3.406 597 E HA 0.230 4.580 4.350 0.000 0.000 0.210 597 E C -2.359 174.260 176.600 0.031 0.000 1.167 597 E CA -2.020 54.392 56.400 0.019 0.000 1.132 597 E CB 0.584 30.293 29.700 0.016 0.000 1.309 597 E HN 0.403 nan 8.360 nan 0.000 0.424 598 P HA 0.130 nan 4.420 nan 0.000 0.256 598 P C 0.147 177.484 177.300 0.062 0.000 1.688 598 P CA 0.023 63.151 63.100 0.047 0.000 1.162 598 P CB 0.066 31.790 31.700 0.041 0.000 1.870 599 I N 1.940 122.555 120.570 0.075 0.000 2.385 599 I HA 0.494 4.664 4.170 0.000 0.000 0.294 599 I C -0.090 176.090 176.117 0.105 0.000 0.988 599 I CA -1.104 60.252 61.300 0.093 0.000 1.265 599 I CB 1.873 39.944 38.000 0.118 0.000 1.388 599 I HN 0.162 nan 8.210 nan 0.000 0.480 600 A N 8.177 131.056 122.820 0.097 0.000 2.440 600 A HA 0.403 4.723 4.320 0.000 0.000 0.251 600 A C -0.230 177.418 177.584 0.106 0.000 1.089 600 A CA -0.193 51.901 52.037 0.095 0.000 0.779 600 A CB 0.070 19.116 19.000 0.077 0.000 1.022 600 A HN 0.725 nan 8.150 nan 0.000 0.492 601 I N 3.288 123.916 120.570 0.097 0.000 2.315 601 I HA 0.196 4.366 4.170 0.000 0.000 0.291 601 I C 1.627 177.785 176.117 0.068 0.000 1.006 601 I CA -0.152 61.219 61.300 0.117 0.000 1.265 601 I CB 1.608 39.698 38.000 0.150 0.000 1.387 601 I HN 0.877 nan 8.210 nan 0.000 0.475 602 G N 5.739 114.595 108.800 0.095 0.000 2.459 602 G HA2 -0.195 3.765 3.960 0.000 0.000 0.217 602 G HA3 -0.195 3.765 3.960 0.000 0.000 0.217 602 G C 0.947 175.873 174.900 0.044 0.000 1.183 602 G CA 0.127 45.268 45.100 0.069 0.000 0.776 602 G HN 0.447 nan 8.290 nan 0.000 0.552 603 V N 4.447 124.402 119.914 0.069 0.000 2.539 603 V HA 0.115 4.235 4.120 0.000 0.000 0.294 603 V C -1.332 174.734 176.094 -0.046 0.000 0.994 603 V CA -1.361 60.957 62.300 0.029 0.000 1.169 603 V CB 0.418 32.267 31.823 0.042 0.000 0.898 603 V HN 0.247 nan 8.190 nan 0.000 0.471 604 P HA 0.134 nan 4.420 nan 0.000 0.266 604 P C 0.859 178.109 177.300 -0.084 0.000 1.193 604 P CA 1.141 64.206 63.100 -0.058 0.000 0.770 604 P CB 0.712 32.401 31.700 -0.019 0.000 0.836 605 G N 1.362 110.115 108.800 -0.079 0.000 2.168 605 G HA2 -0.259 3.701 3.960 0.000 0.000 0.263 605 G HA3 -0.259 3.701 3.960 0.000 0.000 0.263 605 G C 0.060 174.933 174.900 -0.044 0.000 0.977 605 G CA 0.353 45.446 45.100 -0.012 0.000 0.659 605 G HN 0.539 nan 8.290 nan 0.000 0.533 606 M N -0.438 118.999 119.600 -0.271 0.000 2.457 606 M HA 0.595 5.075 4.480 0.000 0.000 0.300 606 M C -0.676 175.331 176.300 -0.487 0.000 1.141 606 M CA -0.749 54.420 55.300 -0.219 0.000 0.901 606 M CB 2.202 34.675 32.600 -0.211 0.000 1.687 606 M HN 0.234 nan 8.290 nan 0.000 0.449 607 H N -0.118 118.998 119.070 0.078 0.000 2.747 607 H HA 0.240 4.796 4.556 0.000 0.000 0.371 607 H C 0.062 175.478 175.328 0.147 0.000 1.161 607 H CA -0.718 55.392 56.048 0.104 0.000 1.167 607 H CB 1.343 31.144 29.762 0.065 0.000 1.732 607 H HN 0.674 nan 8.280 nan 0.000 0.544 608 Q N 0.636 120.572 119.800 0.228 0.000 2.366 608 Q HA -0.209 4.131 4.340 0.000 0.000 0.214 608 Q C 0.699 176.784 176.000 0.141 0.000 0.994 608 Q CA 2.163 58.065 55.803 0.164 0.000 0.909 608 Q CB -0.055 28.753 28.738 0.116 0.000 0.918 608 Q HN 0.861 nan 8.270 nan 0.000 0.436 609 T N -3.254 111.396 114.554 0.160 0.000 3.163 609 T HA 0.138 4.488 4.350 0.000 0.000 0.252 609 T C 0.286 175.067 174.700 0.134 0.000 1.056 609 T CA -0.205 61.963 62.100 0.115 0.000 0.947 609 T CB 0.334 69.249 68.868 0.078 0.000 1.016 609 T HN -0.067 nan 8.240 nan 0.000 0.554 610 T N 4.813 119.493 114.554 0.209 0.000 2.832 610 T HA 0.311 4.661 4.350 0.000 0.000 0.296 610 T C -2.585 172.260 174.700 0.243 0.000 0.968 610 T CA -1.023 61.205 62.100 0.213 0.000 1.107 610 T CB 0.855 69.859 68.868 0.228 0.000 0.916 610 T HN 0.098 nan 8.240 nan 0.000 0.517 611 P HA 0.023 nan 4.420 nan 0.000 0.258 611 P C 0.530 177.903 177.300 0.120 0.000 1.172 611 P CA 0.059 63.207 63.100 0.081 0.000 0.762 611 P CB 0.272 31.981 31.700 0.015 0.000 0.764 612 A N 3.932 126.765 122.820 0.022 0.000 1.884 612 A HA -0.262 4.058 4.320 0.000 0.000 0.219 612 A C 2.312 179.763 177.584 -0.221 0.000 1.197 612 A CA 2.499 54.485 52.037 -0.085 0.000 0.637 612 A CB -1.605 17.418 19.000 0.039 0.000 0.827 612 A HN 0.511 nan 8.150 nan 0.000 0.450 613 S N -0.418 114.849 115.700 -0.723 0.000 2.393 613 S HA -0.383 4.087 4.470 0.000 0.000 0.235 613 S C 2.079 176.570 174.600 -0.181 0.000 1.061 613 S CA 2.194 59.985 58.200 -0.681 0.000 1.129 613 S CB -0.577 62.291 63.200 -0.552 0.000 1.011 613 S HN 0.833 nan 8.310 nan 0.000 0.436 614 Q N 1.162 120.920 119.800 -0.071 0.000 2.207 614 Q HA -0.210 4.130 4.340 0.000 0.000 0.215 614 Q C 0.052 176.032 176.000 -0.033 0.000 1.006 614 Q CA 1.597 57.376 55.803 -0.040 0.000 0.903 614 Q CB -0.943 27.759 28.738 -0.060 0.000 0.947 614 Q HN 0.471 nan 8.270 nan 0.000 0.414 615 F N 1.201 121.078 119.950 -0.121 0.000 2.512 615 F HA 0.252 4.779 4.527 0.000 0.000 0.350 615 F C 0.273 175.983 175.800 -0.151 0.000 1.212 615 F CA 0.099 58.039 58.000 -0.099 0.000 1.099 615 F CB 0.416 39.355 39.000 -0.102 0.000 1.238 615 F HN -0.061 nan 8.300 nan 0.000 0.600 616 S N 1.443 117.090 115.700 -0.089 0.000 2.828 616 S HA 0.138 4.608 4.470 0.000 0.000 0.240 616 S C -0.953 173.247 174.600 -0.666 0.000 0.912 616 S CA -0.446 57.512 58.200 -0.404 0.000 1.100 616 S CB -0.214 62.892 63.200 -0.156 0.000 1.271 616 S HN 0.678 nan 8.310 nan 0.000 0.476 617 H N 0.352 119.097 119.070 -0.540 0.000 2.947 617 H HA 0.380 4.936 4.556 0.000 0.000 0.354 617 H C -2.813 172.514 175.328 -0.000 0.000 1.085 617 H CA -1.309 54.611 56.048 -0.213 0.000 1.253 617 H CB 1.897 31.596 29.762 -0.104 0.000 1.757 617 H HN -0.186 nan 8.280 nan 0.000 0.523 618 P HA -0.058 nan 4.420 nan 0.000 0.226 618 P C 1.142 177.590 177.300 -1.421 0.000 1.146 618 P CA 1.558 63.933 63.100 -1.208 0.000 0.773 618 P CB 0.270 31.234 31.700 -1.226 0.000 0.772 619 G N -0.461 107.848 108.800 -0.818 0.000 2.404 619 G HA2 -0.156 3.804 3.960 0.000 0.000 0.213 619 G HA3 -0.156 3.804 3.960 0.000 0.000 0.213 619 G C 1.517 176.423 174.900 0.011 0.000 1.189 619 G CA 0.214 45.135 45.100 -0.298 0.000 0.796 619 G HN 0.120 nan 8.290 nan 0.000 0.532 620 V N 0.345 120.337 119.914 0.130 0.000 2.828 620 V HA -0.058 4.062 4.120 0.000 0.000 0.260 620 V C 1.058 177.361 176.094 0.348 0.000 1.101 620 V CA 0.082 62.465 62.300 0.139 0.000 1.123 620 V CB -0.832 30.987 31.823 -0.007 0.000 0.704 620 V HN 0.341 nan 8.190 nan 0.000 0.493 621 W N 0.928 122.272 121.300 0.073 0.000 2.435 621 W HA 0.151 4.811 4.660 0.000 0.000 0.337 621 W C -2.067 174.545 176.519 0.155 0.000 1.300 621 W CA -2.249 55.170 57.345 0.123 0.000 1.298 621 W CB -1.187 28.318 29.460 0.075 0.000 1.217 621 W HN 0.102 nan 8.180 nan 0.000 0.565 622 P HA 0.005 nan 4.420 nan 0.000 0.271 622 P C -1.496 175.950 177.300 0.243 0.000 1.216 622 P CA -0.839 62.431 63.100 0.284 0.000 0.776 622 P CB 0.615 32.477 31.700 0.271 0.000 0.881 623 P HA -0.150 nan 4.420 nan 0.000 0.219 623 P C 1.484 178.828 177.300 0.073 0.000 1.150 623 P CA 1.570 64.742 63.100 0.120 0.000 0.814 623 P CB -0.348 31.407 31.700 0.092 0.000 0.787 624 G N -0.120 108.733 108.800 0.088 0.000 2.442 624 G HA2 -0.292 3.668 3.960 0.000 0.000 0.219 624 G HA3 -0.292 3.668 3.960 0.000 0.000 0.219 624 G C 1.379 176.249 174.900 -0.051 0.000 1.141 624 G CA 0.451 45.585 45.100 0.056 0.000 0.763 624 G HN 0.246 nan 8.290 nan 0.000 0.554 625 F N 1.018 120.789 119.950 -0.298 0.000 2.206 625 F HA 0.189 4.716 4.527 0.000 0.000 0.298 625 F C 2.250 177.859 175.800 -0.317 0.000 1.090 625 F CA 0.732 58.359 58.000 -0.622 0.000 1.323 625 F CB -0.095 38.348 39.000 -0.928 0.000 1.028 625 F HN 0.031 nan 8.300 nan 0.000 0.492 626 L N -0.065 121.040 121.223 -0.198 0.000 2.362 626 L HA -0.111 4.229 4.340 0.000 0.000 0.219 626 L C -0.040 176.696 176.870 -0.224 0.000 1.134 626 L CA 1.050 55.778 54.840 -0.187 0.000 0.807 626 L CB -0.594 41.501 42.059 0.061 0.000 0.927 626 L HN 0.234 nan 8.230 nan 0.000 0.447 627 N N -1.331 117.254 118.700 -0.192 0.000 2.701 627 N HA 0.189 4.929 4.740 0.000 0.000 0.258 627 N C -2.155 173.284 175.510 -0.119 0.000 1.262 627 N CA -1.162 51.804 53.050 -0.139 0.000 0.780 627 N CB 1.325 39.772 38.487 -0.067 0.000 1.380 627 N HN -0.318 nan 8.380 nan 0.000 0.548 628 P HA -0.256 nan 4.420 nan 0.000 0.218 628 P C 1.000 178.287 177.300 -0.022 0.000 1.152 628 P CA 1.448 64.498 63.100 -0.084 0.000 0.857 628 P CB 0.272 31.920 31.700 -0.088 0.000 0.787 629 Q N -0.915 118.869 119.800 -0.027 0.000 2.133 629 Q HA -0.209 4.131 4.340 0.000 0.000 0.208 629 Q C 2.094 178.102 176.000 0.012 0.000 0.991 629 Q CA 1.351 57.151 55.803 -0.004 0.000 0.867 629 Q CB -0.779 27.952 28.738 -0.011 0.000 0.911 629 Q HN 0.304 nan 8.270 nan 0.000 0.417 630 L N 0.323 121.553 121.223 0.011 0.000 2.081 630 L HA -0.159 4.181 4.340 0.000 0.000 0.212 630 L C 1.060 177.960 176.870 0.050 0.000 1.080 630 L CA 0.570 55.428 54.840 0.030 0.000 0.754 630 L CB -0.474 41.604 42.059 0.032 0.000 0.893 630 L HN 0.199 nan 8.230 nan 0.000 0.433 631 I N -0.031 120.576 120.570 0.063 0.000 2.823 631 I HA 0.038 4.208 4.170 0.000 0.000 0.290 631 I C 0.053 176.212 176.117 0.069 0.000 1.091 631 I CA -0.247 61.105 61.300 0.087 0.000 1.365 631 I CB 0.350 38.427 38.000 0.128 0.000 1.427 631 I HN 0.079 nan 8.210 nan 0.000 0.583 632 N N 5.243 123.985 118.700 0.069 0.000 2.405 632 N HA 0.286 5.026 4.740 0.000 0.000 0.299 632 N C -1.875 173.671 175.510 0.060 0.000 1.075 632 N CA -1.820 51.264 53.050 0.056 0.000 0.884 632 N CB 1.384 39.899 38.487 0.047 0.000 1.194 632 N HN 0.308 nan 8.380 nan 0.000 0.491 633 P HA -0.177 nan 4.420 nan 0.000 0.216 633 P C 0.855 178.183 177.300 0.046 0.000 1.153 633 P CA 1.697 64.829 63.100 0.053 0.000 0.848 633 P CB 0.458 32.185 31.700 0.044 0.000 0.787 634 Q N -0.201 119.621 119.800 0.037 0.000 2.402 634 Q HA -0.048 4.292 4.340 0.000 0.000 0.206 634 Q C 2.066 178.084 176.000 0.030 0.000 0.919 634 Q CA 0.893 56.713 55.803 0.029 0.000 0.923 634 Q CB -0.778 27.974 28.738 0.023 0.000 1.048 634 Q HN 0.178 nan 8.270 nan 0.000 0.515 635 Q N 2.357 122.179 119.800 0.037 0.000 1.969 635 Q HA 0.099 4.439 4.340 0.000 0.000 0.198 635 Q C 0.068 176.093 176.000 0.042 0.000 0.978 635 Q CA 2.110 57.936 55.803 0.039 0.000 0.830 635 Q CB -0.280 28.484 28.738 0.044 0.000 0.896 635 Q HN 0.339 nan 8.270 nan 0.000 0.431 636 A N 1.207 124.060 122.820 0.055 0.000 3.105 636 A HA 0.404 4.724 4.320 0.000 0.000 0.336 636 A C -2.039 175.589 177.584 0.073 0.000 1.042 636 A CA -1.213 50.860 52.037 0.061 0.000 0.851 636 A CB 0.543 19.591 19.000 0.080 0.000 1.068 636 A HN 0.347 nan 8.150 nan 0.000 0.477 637 P HA -0.288 nan 4.420 nan 0.000 0.212 637 P C 1.623 178.984 177.300 0.100 0.000 1.174 637 P CA 1.320 64.457 63.100 0.063 0.000 0.934 637 P CB 0.032 31.750 31.700 0.029 0.000 0.791 638 L N -1.502 119.767 121.223 0.076 0.000 2.051 638 L HA -0.200 4.140 4.340 0.000 0.000 0.214 638 L C 2.888 179.919 176.870 0.267 0.000 1.076 638 L CA 1.331 56.253 54.840 0.137 0.000 0.758 638 L CB -1.033 41.030 42.059 0.007 0.000 0.890 638 L HN -0.023 nan 8.230 nan 0.000 0.433 639 L N -0.267 121.073 121.223 0.195 0.000 2.005 639 L HA -0.191 4.149 4.340 0.000 0.000 0.207 639 L C 2.658 179.724 176.870 0.326 0.000 1.072 639 L CA 1.710 56.716 54.840 0.277 0.000 0.744 639 L CB -1.197 40.994 42.059 0.219 0.000 0.895 639 L HN 0.329 nan 8.230 nan 0.000 0.433 640 R N 0.098 120.733 120.500 0.225 0.000 2.249 640 R HA -0.131 4.209 4.340 0.000 0.000 0.230 640 R C 1.953 178.356 176.300 0.172 0.000 1.121 640 R CA 1.313 57.517 56.100 0.174 0.000 0.997 640 R CB 0.048 30.420 30.300 0.120 0.000 0.867 640 R HN 0.349 nan 8.270 nan 0.000 0.465 641 A N -0.755 122.205 122.820 0.234 0.000 2.063 641 A HA 0.050 4.370 4.320 0.000 0.000 0.211 641 A C 1.632 179.351 177.584 0.225 0.000 1.177 641 A CA 0.045 52.243 52.037 0.269 0.000 0.759 641 A CB -0.303 18.920 19.000 0.372 0.000 0.857 641 A HN 0.420 nan 8.150 nan 0.000 0.468 642 F N 0.971 120.920 119.950 -0.002 0.000 2.219 642 F HA 0.188 4.715 4.527 0.000 0.000 0.294 642 F C 2.406 178.240 175.800 0.057 0.000 1.086 642 F CA 0.747 58.538 58.000 -0.348 0.000 1.330 642 F CB -0.391 38.443 39.000 -0.278 0.000 1.047 642 F HN 0.216 nan 8.300 nan 0.000 0.495 643 A N -0.226 122.731 122.820 0.228 0.000 1.930 643 A HA -0.164 4.156 4.320 0.000 0.000 0.217 643 A C 2.062 179.602 177.584 -0.074 0.000 1.175 643 A CA 1.638 53.725 52.037 0.083 0.000 0.627 643 A CB -0.840 18.189 19.000 0.048 0.000 0.815 643 A HN 0.383 nan 8.150 nan 0.000 0.443 644 E N 0.093 120.291 120.200 -0.003 0.000 2.085 644 E HA -0.265 4.085 4.350 0.000 0.000 0.194 644 E C 1.704 178.289 176.600 -0.026 0.000 0.994 644 E CA 2.110 58.500 56.400 -0.016 0.000 0.801 644 E CB -0.571 29.156 29.700 0.044 0.000 0.743 644 E HN 0.812 nan 8.360 nan 0.000 0.453 645 H N -0.251 118.738 119.070 -0.135 0.000 2.293 645 H HA -0.045 4.511 4.556 0.000 0.000 0.300 645 H C 2.064 177.351 175.328 -0.068 0.000 1.082 645 H CA 2.503 58.460 56.048 -0.152 0.000 1.308 645 H CB -0.326 29.219 29.762 -0.361 0.000 1.375 645 H HN 0.244 nan 8.280 nan 0.000 0.495 646 I N -0.018 120.476 120.570 -0.127 0.000 2.252 646 I HA -0.224 3.946 4.170 0.000 0.000 0.245 646 I C 2.550 178.641 176.117 -0.043 0.000 1.102 646 I CA 0.843 62.164 61.300 0.036 0.000 1.385 646 I CB -0.318 37.752 38.000 0.117 0.000 1.064 646 I HN 0.247 nan 8.210 nan 0.000 0.414 647 R N 1.105 121.504 120.500 -0.167 0.000 2.127 647 R HA -0.059 4.281 4.340 0.000 0.000 0.238 647 R C 1.035 177.262 176.300 -0.122 0.000 1.134 647 R CA 1.315 57.285 56.100 -0.217 0.000 0.975 647 R CB -0.394 29.751 30.300 -0.259 0.000 0.865 647 R HN 0.359 nan 8.270 nan 0.000 0.447 648 A N -0.463 122.299 122.820 -0.097 0.000 3.105 648 A HA 0.376 4.696 4.320 0.000 0.000 0.297 648 A C 0.238 177.788 177.584 -0.056 0.000 0.977 648 A CA -0.456 51.542 52.037 -0.064 0.000 1.020 648 A CB 0.094 19.063 19.000 -0.051 0.000 1.098 648 A HN 0.350 nan 8.150 nan 0.000 0.497 649 N N -1.917 116.778 118.700 -0.009 0.000 2.152 649 N HA -0.007 4.733 4.740 0.000 0.000 0.309 649 N C -0.181 175.444 175.510 0.192 0.000 1.006 649 N CA -0.414 52.685 53.050 0.081 0.000 0.678 649 N CB 0.066 38.471 38.487 -0.136 0.000 2.012 649 N HN 0.625 nan 8.380 nan 0.000 0.795 650 W N 6.857 128.089 121.300 -0.113 0.000 2.347 650 W HA 0.082 4.742 4.660 0.000 0.000 0.333 650 W C -2.298 173.937 176.519 -0.472 0.000 1.383 650 W CA -0.227 56.799 57.345 -0.531 0.000 1.283 650 W CB 0.131 29.320 29.460 -0.451 0.000 1.253 650 W HN 0.061 nan 8.180 nan 0.000 0.563 651 P HA -0.198 nan 4.420 nan 0.000 0.263 651 P C -0.692 176.375 177.300 -0.388 0.000 1.168 651 P CA 0.622 63.348 63.100 -0.624 0.000 0.759 651 P CB 0.562 31.479 31.700 -1.306 0.000 0.782 652 Q N 5.399 125.059 119.800 -0.233 0.000 2.307 652 Q HA 0.248 4.588 4.340 0.000 0.000 0.259 652 Q C -1.960 173.906 176.000 -0.222 0.000 0.998 652 Q CA -2.181 53.523 55.803 -0.165 0.000 0.923 652 Q CB 0.110 28.795 28.738 -0.089 0.000 1.196 652 Q HN 0.352 nan 8.270 nan 0.000 0.416 653 P HA 0.029 nan 4.420 nan 0.000 0.273 653 P C -0.773 176.445 177.300 -0.136 0.000 1.258 653 P CA 0.090 63.022 63.100 -0.280 0.000 0.802 653 P CB 0.831 32.409 31.700 -0.203 0.000 1.040 654 S N -2.068 113.581 115.700 -0.084 0.000 2.806 654 S HA 0.545 5.015 4.470 0.000 0.000 0.294 654 S C -1.056 173.557 174.600 0.022 0.000 1.239 654 S CA -0.621 57.579 58.200 -0.001 0.000 1.052 654 S CB 1.338 64.564 63.200 0.045 0.000 1.332 654 S HN 0.702 nan 8.310 nan 0.000 0.516 655 E N -0.316 119.905 120.200 0.036 0.000 2.315 655 E HA 0.788 5.138 4.350 0.000 0.000 0.256 655 E C -1.501 175.109 176.600 0.017 0.000 1.148 655 E CA -1.251 55.085 56.400 -0.106 0.000 0.898 655 E CB 0.941 30.567 29.700 -0.123 0.000 1.708 655 E HN 1.396 nan 8.360 nan 0.000 0.473 656 F N -2.310 117.657 119.950 0.027 0.000 2.804 656 F HA 0.633 5.160 4.527 0.000 0.000 0.320 656 F C -0.201 175.630 175.800 0.051 0.000 1.135 656 F CA -0.773 57.231 58.000 0.007 0.000 0.947 656 F CB 0.482 39.453 39.000 -0.048 0.000 1.260 656 F HN 0.683 nan 8.300 nan 0.000 0.447 657 G N 0.394 109.375 108.800 0.300 0.000 2.621 657 G HA2 0.500 4.460 3.960 0.000 0.000 0.271 657 G HA3 0.500 4.460 3.960 0.000 0.000 0.271 657 G C -1.755 173.372 174.900 0.379 0.000 1.236 657 G CA 0.001 45.216 45.100 0.191 0.000 0.958 657 G HN 1.709 nan 8.290 nan 0.000 0.512 658 Y N -3.620 116.759 120.300 0.132 0.000 2.687 658 Y HA 0.528 5.078 4.550 0.000 0.000 0.338 658 Y C 0.287 176.222 175.900 0.058 0.000 1.189 658 Y CA -0.604 57.565 58.100 0.115 0.000 1.097 658 Y CB 0.372 38.935 38.460 0.172 0.000 1.342 658 Y HN 2.062 nan 8.280 nan 0.000 0.461 659 G N 1.166 110.050 108.800 0.141 0.000 2.806 659 G HA2 0.063 4.023 3.960 0.000 0.000 0.236 659 G HA3 0.063 4.023 3.960 0.000 0.000 0.236 659 G C -0.377 174.495 174.900 -0.048 0.000 1.387 659 G CA -0.136 44.989 45.100 0.041 0.000 0.884 659 G HN 1.539 nan 8.290 nan 0.000 0.560 660 S N -1.679 114.019 115.700 -0.003 0.000 2.672 660 S HA 0.648 5.118 4.470 0.000 0.000 0.276 660 S C 1.933 176.522 174.600 -0.018 0.000 1.207 660 S CA 0.970 59.180 58.200 0.016 0.000 1.002 660 S CB 1.163 64.413 63.200 0.084 0.000 0.998 660 S HN 1.952 nan 8.310 nan 0.000 0.542 661 T N 1.122 115.677 114.554 0.002 0.000 3.035 661 T HA 0.093 4.443 4.350 0.000 0.000 0.259 661 T C 1.041 175.765 174.700 0.040 0.000 1.078 661 T CA 0.438 62.536 62.100 -0.002 0.000 1.132 661 T CB -0.305 68.561 68.868 -0.003 0.000 0.900 661 T HN 0.386 nan 8.240 nan 0.000 0.480 662 L N 1.302 122.567 121.223 0.070 0.000 2.645 662 L HA 0.368 4.708 4.340 0.000 0.000 0.234 662 L C 2.277 179.260 176.870 0.188 0.000 1.165 662 L CA 0.380 55.284 54.840 0.107 0.000 0.944 662 L CB -0.794 41.321 42.059 0.093 0.000 1.149 662 L HN 0.197 nan 8.230 nan 0.000 0.446 663 Q N 0.583 120.474 119.800 0.151 0.000 2.240 663 Q HA 0.404 4.744 4.340 0.000 0.000 0.194 663 Q C 0.780 176.869 176.000 0.148 0.000 0.982 663 Q CA 1.058 56.963 55.803 0.169 0.000 0.842 663 Q CB 0.326 29.122 28.738 0.096 0.000 0.941 663 Q HN 0.340 nan 8.270 nan 0.000 0.516 664 G N 1.055 109.902 108.800 0.078 0.000 2.491 664 G HA2 -0.099 3.861 3.960 0.000 0.000 0.508 664 G HA3 -0.099 3.861 3.960 0.000 0.000 0.508 664 G C 0.289 175.201 174.900 0.019 0.000 1.143 664 G CA 0.575 45.704 45.100 0.048 0.000 1.277 664 G HN 0.185 nan 8.290 nan 0.000 0.599 665 S N 1.275 116.976 115.700 0.003 0.000 2.456 665 S HA -0.199 4.271 4.470 0.000 0.000 0.359 665 S C 2.750 177.387 174.600 0.063 0.000 1.227 665 S CA 4.538 62.744 58.200 0.010 0.000 1.598 665 S CB -0.544 62.662 63.200 0.009 0.000 1.444 665 S HN 2.852 nan 8.310 nan 0.000 0.483 666 A N -0.889 121.953 122.820 0.037 0.000 3.396 666 A HA -0.253 4.067 4.320 0.000 0.000 0.267 666 A C 0.205 177.827 177.584 0.062 0.000 1.139 666 A CA 1.855 53.915 52.037 0.040 0.000 1.115 666 A CB -2.834 16.204 19.000 0.064 0.000 1.133 666 A HN 1.629 nan 8.150 nan 0.000 0.920 667 N N -0.559 118.184 118.700 0.072 0.000 2.417 667 N HA 0.717 5.457 4.740 0.000 0.000 0.300 667 N C 0.475 175.982 175.510 -0.005 0.000 1.102 667 N CA -0.353 52.734 53.050 0.061 0.000 0.886 667 N CB 0.949 39.491 38.487 0.091 0.000 1.203 667 N HN 0.209 nan 8.380 nan 0.000 0.496 668 L N -0.219 120.952 121.223 -0.086 0.000 2.051 668 L HA 0.142 4.482 4.340 0.000 0.000 0.202 668 L C 1.341 178.143 176.870 -0.113 0.000 1.097 668 L CA 0.874 55.591 54.840 -0.204 0.000 0.762 668 L CB -0.445 41.334 42.059 -0.466 0.000 0.913 668 L HN 0.398 nan 8.230 nan 0.000 0.447 669 F N 0.783 120.741 119.950 0.015 0.000 2.128 669 F HA 0.046 4.573 4.527 0.000 0.000 0.295 669 F C 1.448 177.243 175.800 -0.009 0.000 1.100 669 F CA -0.460 57.544 58.000 0.006 0.000 1.260 669 F CB -0.894 38.145 39.000 0.065 0.000 1.009 669 F HN -0.062 nan 8.300 nan 0.000 0.476 670 I N -0.322 120.319 120.570 0.118 0.000 2.575 670 I HA 0.301 4.471 4.170 0.000 0.000 0.285 670 I C -2.386 173.755 176.117 0.040 0.000 1.085 670 I CA -2.137 59.192 61.300 0.048 0.000 1.403 670 I CB 0.040 38.030 38.000 -0.016 0.000 1.409 670 I HN -0.195 nan 8.210 nan 0.000 0.557 671 P HA -0.064 nan 4.420 nan 0.000 0.268 671 P C -0.250 177.059 177.300 0.014 0.000 1.189 671 P CA 0.393 63.504 63.100 0.017 0.000 0.771 671 P CB 0.335 32.037 31.700 0.004 0.000 0.822 672 S N 2.256 117.956 115.700 0.001 0.000 2.550 672 S HA -0.074 4.396 4.470 0.000 0.000 0.285 672 S C 0.618 175.171 174.600 -0.079 0.000 1.326 672 S CA 0.119 58.307 58.200 -0.019 0.000 1.037 672 S CB -0.535 62.651 63.200 -0.024 0.000 0.838 672 S HN 0.836 nan 8.310 nan 0.000 0.519 673 N N 1.901 120.502 118.700 -0.164 0.000 2.903 673 N HA -0.300 4.440 4.740 0.000 0.000 0.296 673 N C -0.310 174.885 175.510 -0.525 0.000 1.037 673 N CA 1.031 53.722 53.050 -0.597 0.000 0.841 673 N CB -1.010 37.155 38.487 -0.537 0.000 0.958 673 N HN 0.771 nan 8.380 nan 0.000 0.605 674 R N 0.894 121.344 120.500 -0.084 0.000 3.008 674 R HA 0.219 4.559 4.340 0.000 0.000 0.284 674 R C -0.787 175.601 176.300 0.147 0.000 1.187 674 R CA -0.609 55.556 56.100 0.108 0.000 1.139 674 R CB 0.513 30.809 30.300 -0.008 0.000 1.273 674 R HN 0.252 nan 8.270 nan 0.000 0.410 675 M N 2.290 121.894 119.600 0.007 0.000 2.114 675 M HA 0.438 4.918 4.480 0.000 0.000 0.280 675 M C -0.368 175.675 176.300 -0.428 0.000 1.209 675 M CA -0.859 54.249 55.300 -0.319 0.000 1.044 675 M CB 1.422 33.681 32.600 -0.569 0.000 1.404 675 M HN 0.297 nan 8.290 nan 0.000 0.499 676 V N 0.705 120.443 119.914 -0.293 0.000 2.447 676 V HA 0.310 4.430 4.120 0.000 0.000 0.292 676 V C -1.416 174.753 176.094 0.125 0.000 1.021 676 V CA -0.655 61.582 62.300 -0.104 0.000 0.850 676 V CB 1.191 32.993 31.823 -0.035 0.000 1.005 676 V HN 0.617 nan 8.190 nan 0.000 0.426 677 Y N 6.844 127.072 120.300 -0.120 0.000 2.361 677 Y HA 0.384 4.934 4.550 0.000 0.000 0.332 677 Y C -1.673 173.935 175.900 -0.487 0.000 1.101 677 Y CA -2.013 56.001 58.100 -0.144 0.000 1.137 677 Y CB 2.875 41.353 38.460 0.030 0.000 1.207 677 Y HN 0.461 nan 8.280 nan 0.000 0.463 678 P HA -0.145 nan 4.420 nan 0.000 0.213 678 P C -0.891 175.666 177.300 -1.239 0.000 1.170 678 P CA 1.546 63.520 63.100 -1.878 0.000 0.893 678 P CB 0.090 30.346 31.700 -2.407 0.000 0.784 679 W N 0.246 120.853 121.300 -1.155 0.000 2.283 679 W HA 0.353 5.013 4.660 0.000 0.000 0.341 679 W C -1.972 174.379 176.519 -0.280 0.000 1.206 679 W CA -2.375 54.599 57.345 -0.620 0.000 1.294 679 W CB -1.147 27.996 29.460 -0.528 0.000 1.154 679 W HN -0.126 nan 8.180 nan 0.000 0.613 680 P HA 0.047 nan 4.420 nan 0.000 0.276 680 P C -0.820 176.527 177.300 0.077 0.000 1.235 680 P CA -0.150 62.985 63.100 0.059 0.000 0.772 680 P CB 0.712 32.421 31.700 0.015 0.000 0.871 681 N N 2.350 121.104 118.700 0.090 0.000 2.443 681 N HA 0.523 5.263 4.740 0.000 0.000 0.293 681 N C -0.739 174.709 175.510 -0.103 0.000 1.159 681 N CA -0.765 52.262 53.050 -0.039 0.000 0.904 681 N CB 1.490 39.958 38.487 -0.031 0.000 1.214 681 N HN 0.336 nan 8.380 nan 0.000 0.513 682 Q N -1.162 118.516 119.800 -0.204 0.000 2.391 682 Q HA 0.427 4.767 4.340 0.000 0.000 0.279 682 Q C -2.877 173.136 176.000 0.022 0.000 1.028 682 Q CA -1.881 53.881 55.803 -0.069 0.000 0.836 682 Q CB 2.581 31.312 28.738 -0.011 0.000 1.414 682 Q HN 0.479 nan 8.270 nan 0.000 0.397 683 P HA -0.078 nan 4.420 nan 0.000 0.261 683 P C -0.582 176.784 177.300 0.111 0.000 1.183 683 P CA 0.129 63.256 63.100 0.045 0.000 0.761 683 P CB 0.384 32.105 31.700 0.035 0.000 0.785 684 L N 6.226 127.495 121.223 0.077 0.000 2.894 684 L HA -0.043 4.297 4.340 0.000 0.000 0.286 684 L C -1.743 175.170 176.870 0.071 0.000 1.077 684 L CA -1.027 53.865 54.840 0.086 0.000 1.070 684 L CB -0.347 41.782 42.059 0.118 0.000 1.470 684 L HN 0.306 nan 8.230 nan 0.000 0.452 685 P HA 0.107 nan 4.420 nan 0.000 0.274 685 P C -0.869 176.459 177.300 0.046 0.000 1.231 685 P CA -0.753 62.356 63.100 0.016 0.000 0.790 685 P CB 0.481 32.156 31.700 -0.042 0.000 0.951 686 R N 3.560 124.071 120.500 0.017 0.000 2.483 686 R HA 0.007 4.347 4.340 0.000 0.000 0.329 686 R C -0.189 176.087 176.300 -0.040 0.000 0.961 686 R CA 0.283 56.380 56.100 -0.005 0.000 1.041 686 R CB -1.396 28.897 30.300 -0.012 0.000 0.930 686 R HN 0.322 nan 8.270 nan 0.000 0.413 687 L N 4.580 125.753 121.223 -0.083 0.000 2.667 687 L HA -0.059 4.281 4.340 0.000 0.000 0.296 687 L C 0.653 177.433 176.870 -0.149 0.000 1.252 687 L CA 1.698 56.409 54.840 -0.214 0.000 0.891 687 L CB -0.913 40.993 42.059 -0.255 0.000 1.141 687 L HN 1.110 nan 8.230 nan 0.000 0.501 688 T N -1.167 113.293 114.554 -0.158 0.000 2.658 688 T HA 0.345 4.695 4.350 0.000 0.000 0.306 688 T C 0.778 175.459 174.700 -0.032 0.000 1.544 688 T CA -0.332 61.724 62.100 -0.074 0.000 0.991 688 T CB 0.984 69.831 68.868 -0.035 0.000 1.774 688 T HN 0.019 nan 8.240 nan 0.000 0.479 689 V N 0.601 120.526 119.914 0.019 0.000 2.871 689 V HA 0.172 4.292 4.120 0.000 0.000 0.256 689 V C 2.890 179.079 176.094 0.159 0.000 1.082 689 V CA 1.629 63.985 62.300 0.095 0.000 1.105 689 V CB -1.809 30.008 31.823 -0.010 0.000 0.713 689 V HN 1.039 nan 8.190 nan 0.000 0.473 690 A N 1.733 124.606 122.820 0.089 0.000 1.819 690 A HA 0.020 4.340 4.320 0.000 0.000 0.215 690 A C -1.149 176.538 177.584 0.172 0.000 1.226 690 A CA 1.037 53.141 52.037 0.113 0.000 0.608 690 A CB -1.781 17.261 19.000 0.071 0.000 0.877 690 A HN 0.520 nan 8.150 nan 0.000 0.452 691 P HA 0.251 nan 4.420 nan 0.000 0.268 691 P C -0.205 177.210 177.300 0.192 0.000 1.485 691 P CA 1.263 64.493 63.100 0.217 0.000 1.102 691 P CB 0.749 32.523 31.700 0.123 0.000 1.501 692 T N 1.028 115.709 114.554 0.212 0.000 5.278 692 T HA 0.024 4.374 4.350 0.000 0.000 0.318 692 T C -0.295 174.203 174.700 -0.336 0.000 0.990 692 T CA 0.194 62.267 62.100 -0.044 0.000 0.426 692 T CB -1.344 67.376 68.868 -0.246 0.000 0.596 692 T HN 0.121 nan 8.240 nan 0.000 0.351 693 Y N 0.402 120.768 120.300 0.109 0.000 2.673 693 Y HA 0.257 4.807 4.550 0.000 0.000 0.289 693 Y C 1.095 177.054 175.900 0.099 0.000 0.975 693 Y CA 0.221 58.370 58.100 0.082 0.000 1.163 693 Y CB 0.617 39.106 38.460 0.048 0.000 1.425 693 Y HN 0.358 nan 8.280 nan 0.000 0.588 694 D N -1.170 119.379 120.400 0.248 0.000 2.369 694 D HA 0.159 4.799 4.640 0.000 0.000 0.211 694 D C 0.385 176.791 176.300 0.177 0.000 1.077 694 D CA 0.232 54.351 54.000 0.198 0.000 0.842 694 D CB 0.042 40.954 40.800 0.187 0.000 0.947 694 D HN -0.135 nan 8.370 nan 0.000 0.509 695 S N 0.128 115.935 115.700 0.177 0.000 2.576 695 S HA 0.353 4.823 4.470 0.000 0.000 0.272 695 S C 1.628 176.290 174.600 0.102 0.000 1.352 695 S CA -0.089 58.181 58.200 0.116 0.000 1.021 695 S CB 1.149 64.396 63.200 0.079 0.000 0.887 695 S HN 0.399 nan 8.310 nan 0.000 0.542 696 A N 2.054 124.930 122.820 0.093 0.000 1.865 696 A HA -0.185 4.135 4.320 0.000 0.000 0.217 696 A C 2.078 179.835 177.584 0.289 0.000 1.191 696 A CA 2.017 54.176 52.037 0.204 0.000 0.623 696 A CB -0.722 18.457 19.000 0.298 0.000 0.826 696 A HN 0.845 nan 8.150 nan 0.000 0.444 697 M N -0.270 119.384 119.600 0.090 0.000 2.213 697 M HA -0.126 4.354 4.480 0.000 0.000 0.263 697 M C 2.122 178.494 176.300 0.119 0.000 1.062 697 M CA 1.885 57.165 55.300 -0.033 0.000 1.105 697 M CB -0.116 32.068 32.600 -0.694 0.000 1.385 697 M HN 0.388 nan 8.290 nan 0.000 0.417 698 S N 0.801 116.545 115.700 0.072 0.000 2.368 698 S HA -0.179 4.291 4.470 0.000 0.000 0.225 698 S C 1.539 176.226 174.600 0.144 0.000 1.030 698 S CA 1.786 60.036 58.200 0.085 0.000 0.999 698 S CB -0.699 62.548 63.200 0.077 0.000 0.844 698 S HN 0.663 nan 8.310 nan 0.000 0.459 699 N N 0.845 119.654 118.700 0.181 0.000 2.058 699 N HA -0.163 4.577 4.740 0.000 0.000 0.191 699 N C 1.563 177.207 175.510 0.224 0.000 1.037 699 N CA 1.719 54.881 53.050 0.188 0.000 0.848 699 N CB -0.487 38.112 38.487 0.187 0.000 1.021 699 N HN 0.616 nan 8.380 nan 0.000 0.422 700 W N 1.123 122.495 121.300 0.121 0.000 2.333 700 W HA -0.176 4.484 4.660 0.000 0.000 0.316 700 W C 1.847 178.458 176.519 0.153 0.000 1.215 700 W CA 1.202 58.628 57.345 0.134 0.000 1.278 700 W CB -0.595 28.964 29.460 0.164 0.000 1.154 700 W HN 0.149 nan 8.180 nan 0.000 0.486 701 I N 0.634 121.305 120.570 0.167 0.000 2.208 701 I HA -0.380 3.790 4.170 0.000 0.000 0.245 701 I C 2.851 178.955 176.117 -0.021 0.000 1.097 701 I CA 1.814 63.136 61.300 0.037 0.000 1.363 701 I CB -0.653 37.393 38.000 0.077 0.000 1.051 701 I HN -0.005 nan 8.210 nan 0.000 0.413 702 S N 0.419 116.139 115.700 0.034 0.000 2.343 702 S HA -0.218 4.252 4.470 0.000 0.000 0.212 702 S C 2.209 176.828 174.600 0.031 0.000 1.033 702 S CA 2.485 60.713 58.200 0.047 0.000 1.004 702 S CB -0.667 62.585 63.200 0.087 0.000 0.977 702 S HN 0.601 nan 8.310 nan 0.000 0.427 703 T N -0.911 113.673 114.554 0.050 0.000 2.822 703 T HA -0.107 4.243 4.350 0.000 0.000 0.270 703 T C 1.799 176.540 174.700 0.068 0.000 1.064 703 T CA 2.023 64.182 62.100 0.098 0.000 1.131 703 T CB -1.276 67.688 68.868 0.160 0.000 0.858 703 T HN 0.436 nan 8.240 nan 0.000 0.483 704 T N 2.101 116.596 114.554 -0.098 0.000 2.698 704 T HA 0.124 4.474 4.350 0.000 0.000 0.260 704 T C 1.910 176.667 174.700 0.096 0.000 1.044 704 T CA 0.812 62.818 62.100 -0.156 0.000 1.149 704 T CB -0.275 68.372 68.868 -0.368 0.000 0.864 704 T HN 0.197 nan 8.240 nan 0.000 0.419 705 I N 2.006 122.589 120.570 0.022 0.000 2.248 705 I HA -0.209 3.961 4.170 0.000 0.000 0.248 705 I C 2.835 178.991 176.117 0.066 0.000 1.107 705 I CA 1.262 62.583 61.300 0.034 0.000 1.373 705 I CB -1.585 36.415 38.000 -0.000 0.000 1.055 705 I HN 0.188 nan 8.210 nan 0.000 0.418 706 A N 0.477 123.336 122.820 0.064 0.000 1.865 706 A HA -0.284 4.036 4.320 0.000 0.000 0.217 706 A C 2.333 179.947 177.584 0.050 0.000 1.191 706 A CA 1.745 53.817 52.037 0.057 0.000 0.623 706 A CB -1.194 17.851 19.000 0.075 0.000 0.826 706 A HN 0.391 nan 8.150 nan 0.000 0.444 707 F N -0.692 119.220 119.950 -0.063 0.000 2.134 707 F HA -0.140 4.387 4.527 0.000 0.000 0.299 707 F C 1.851 177.536 175.800 -0.192 0.000 1.097 707 F CA 1.689 59.604 58.000 -0.143 0.000 1.264 707 F CB -0.328 38.507 39.000 -0.275 0.000 1.001 707 F HN 0.198 nan 8.300 nan 0.000 0.479 708 F N 0.161 120.015 119.950 -0.161 0.000 2.325 708 F HA -0.084 4.443 4.527 0.000 0.000 0.299 708 F C 2.238 177.855 175.800 -0.304 0.000 1.090 708 F CA 0.920 58.747 58.000 -0.289 0.000 1.392 708 F CB -0.488 38.373 39.000 -0.233 0.000 1.053 708 F HN -0.045 nan 8.300 nan 0.000 0.521 709 I N 0.463 120.995 120.570 -0.063 0.000 2.454 709 I HA -0.268 3.902 4.170 0.000 0.000 0.254 709 I C 2.481 178.515 176.117 -0.139 0.000 1.156 709 I CA 1.188 62.442 61.300 -0.076 0.000 1.433 709 I CB -0.304 37.672 38.000 -0.039 0.000 1.082 709 I HN 0.174 nan 8.210 nan 0.000 0.432 710 R N 0.118 120.470 120.500 -0.246 0.000 2.246 710 R HA 0.021 4.361 4.340 0.000 0.000 0.199 710 R C 1.720 177.817 176.300 -0.339 0.000 0.984 710 R CA 0.614 56.551 56.100 -0.271 0.000 1.015 710 R CB -0.382 29.733 30.300 -0.309 0.000 0.930 710 R HN 0.124 nan 8.270 nan 0.000 0.475 711 V N 0.766 120.409 119.914 -0.452 0.000 2.446 711 V HA -0.093 4.027 4.120 0.000 0.000 0.244 711 V C 2.126 178.091 176.094 -0.214 0.000 1.039 711 V CA 1.129 63.178 62.300 -0.419 0.000 1.045 711 V CB 0.189 31.663 31.823 -0.582 0.000 0.681 711 V HN 0.226 nan 8.190 nan 0.000 0.459 712 V N 0.708 120.535 119.914 -0.144 0.000 3.510 712 V HA 0.009 4.129 4.120 0.000 0.000 0.270 712 V C 1.327 177.386 176.094 -0.059 0.000 1.201 712 V CA 1.567 63.829 62.300 -0.064 0.000 1.166 712 V CB -0.870 30.943 31.823 -0.016 0.000 0.825 712 V HN 0.642 nan 8.190 nan 0.000 0.484 713 N N -0.246 118.399 118.700 -0.092 0.000 2.204 713 N HA 0.108 4.848 4.740 0.000 0.000 0.219 713 N C 0.476 175.939 175.510 -0.079 0.000 1.151 713 N CA 0.263 53.270 53.050 -0.071 0.000 0.867 713 N CB 0.493 38.938 38.487 -0.071 0.000 1.043 713 N HN 0.507 nan 8.380 nan 0.000 0.516 714 S N -0.437 115.205 115.700 -0.097 0.000 2.589 714 S HA 0.075 4.545 4.470 0.000 0.000 0.265 714 S C 1.654 176.220 174.600 -0.056 0.000 1.342 714 S CA -0.712 57.434 58.200 -0.089 0.000 1.005 714 S CB 1.247 64.385 63.200 -0.104 0.000 0.909 714 S HN -0.106 nan 8.310 nan 0.000 0.555 715 V N 2.065 121.951 119.914 -0.046 0.000 2.427 715 V HA -0.157 3.963 4.120 0.000 0.000 0.248 715 V C 2.236 178.313 176.094 -0.027 0.000 1.051 715 V CA 2.053 64.334 62.300 -0.031 0.000 1.048 715 V CB -1.549 30.259 31.823 -0.025 0.000 0.666 715 V HN 0.806 nan 8.190 nan 0.000 0.456 716 N N 0.204 118.886 118.700 -0.031 0.000 2.104 716 N HA -0.173 4.567 4.740 0.000 0.000 0.190 716 N C 1.692 177.189 175.510 -0.021 0.000 1.024 716 N CA 1.407 54.442 53.050 -0.024 0.000 0.853 716 N CB -0.462 38.008 38.487 -0.029 0.000 1.008 716 N HN 0.262 nan 8.380 nan 0.000 0.424 717 M N 0.350 119.933 119.600 -0.028 0.000 2.144 717 M HA -0.155 4.326 4.480 0.000 0.000 0.260 717 M C 2.132 178.425 176.300 -0.012 0.000 1.067 717 M CA 1.317 56.604 55.300 -0.020 0.000 1.095 717 M CB -1.674 30.910 32.600 -0.027 0.000 1.365 717 M HN 0.227 nan 8.290 nan 0.000 0.406 718 T N 0.985 115.531 114.554 -0.015 0.000 2.653 718 T HA -0.263 4.087 4.350 0.000 0.000 0.267 718 T C 1.778 176.474 174.700 -0.006 0.000 1.037 718 T CA 2.594 64.687 62.100 -0.010 0.000 1.159 718 T CB -0.279 68.582 68.868 -0.011 0.000 0.859 718 T HN 0.516 nan 8.240 nan 0.000 0.449 719 A N 0.292 123.109 122.820 -0.004 0.000 1.944 719 A HA -0.246 4.074 4.320 0.000 0.000 0.222 719 A C 2.541 180.127 177.584 0.003 0.000 1.237 719 A CA 3.629 55.667 52.037 0.001 0.000 0.668 719 A CB -1.288 17.714 19.000 0.004 0.000 0.830 719 A HN 0.806 nan 8.150 nan 0.000 0.471 720 T N -5.866 108.690 114.554 0.003 0.000 2.954 720 T HA 0.385 4.735 4.350 0.000 0.000 0.252 720 T C 0.349 175.046 174.700 -0.006 0.000 0.983 720 T CA 0.442 62.544 62.100 0.003 0.000 0.941 720 T CB -0.225 68.651 68.868 0.013 0.000 1.141 720 T HN 0.198 nan 8.240 nan 0.000 0.500 721 V N 3.316 123.226 119.914 -0.006 0.000 2.461 721 V HA 0.439 4.559 4.120 0.000 0.000 0.275 721 V C 0.181 176.271 176.094 -0.008 0.000 1.047 721 V CA -0.779 61.516 62.300 -0.008 0.000 0.955 721 V CB 0.662 32.483 31.823 -0.002 0.000 0.988 721 V HN 0.587 nan 8.190 nan 0.000 0.471 722 N N 4.051 122.745 118.700 -0.010 0.000 2.415 722 N HA 0.021 4.761 4.740 0.000 0.000 0.248 722 N C 0.951 176.456 175.510 -0.007 0.000 1.271 722 N CA 0.406 53.450 53.050 -0.010 0.000 0.913 722 N CB 0.901 39.380 38.487 -0.013 0.000 1.129 722 N HN 0.766 nan 8.380 nan 0.000 0.444 723 D N 0.870 121.266 120.400 -0.007 0.000 2.117 723 D HA -0.155 4.485 4.640 0.000 0.000 0.198 723 D C 1.738 178.035 176.300 -0.005 0.000 0.982 723 D CA 1.047 55.044 54.000 -0.006 0.000 0.828 723 D CB -0.085 40.711 40.800 -0.006 0.000 0.967 723 D HN 0.518 nan 8.370 nan 0.000 0.464 724 L N 0.359 121.578 121.223 -0.006 0.000 2.005 724 L HA -0.047 4.293 4.340 0.000 0.000 0.207 724 L C 2.402 179.270 176.870 -0.004 0.000 1.072 724 L CA 2.826 57.663 54.840 -0.006 0.000 0.744 724 L CB -1.586 40.468 42.059 -0.009 0.000 0.895 724 L HN 0.223 nan 8.230 nan 0.000 0.433 725 T N -2.607 111.942 114.554 -0.008 0.000 2.962 725 T HA -0.214 4.136 4.350 0.000 0.000 0.270 725 T C 2.086 176.791 174.700 0.010 0.000 1.088 725 T CA 1.308 63.404 62.100 -0.007 0.000 1.127 725 T CB -0.608 68.248 68.868 -0.020 0.000 0.883 725 T HN 0.489 nan 8.240 nan 0.000 0.493 726 R N 0.394 120.899 120.500 0.009 0.000 2.148 726 R HA 0.129 4.469 4.340 0.000 0.000 0.223 726 R C 2.754 179.067 176.300 0.022 0.000 1.088 726 R CA 0.751 56.861 56.100 0.016 0.000 0.985 726 R CB -0.132 30.170 30.300 0.003 0.000 0.880 726 R HN 0.403 nan 8.270 nan 0.000 0.451 727 R N -0.713 119.796 120.500 0.015 0.000 2.093 727 R HA -0.010 4.330 4.340 0.000 0.000 0.224 727 R C 1.619 177.936 176.300 0.028 0.000 1.101 727 R CA 1.599 57.709 56.100 0.016 0.000 0.979 727 R CB 0.008 30.312 30.300 0.008 0.000 0.877 727 R HN 0.112 nan 8.270 nan 0.000 0.441 728 T N 0.967 115.536 114.554 0.025 0.000 2.881 728 T HA -0.102 4.248 4.350 0.000 0.000 0.270 728 T C 1.575 176.316 174.700 0.069 0.000 1.068 728 T CA 0.900 63.017 62.100 0.029 0.000 1.131 728 T CB -0.005 68.866 68.868 0.004 0.000 0.871 728 T HN 0.114 nan 8.240 nan 0.000 0.479 729 M N 0.950 120.607 119.600 0.095 0.000 2.123 729 M HA 0.029 4.509 4.480 0.000 0.000 0.263 729 M C 2.571 178.969 176.300 0.162 0.000 1.069 729 M CA 1.322 56.738 55.300 0.194 0.000 1.133 729 M CB -1.730 30.991 32.600 0.200 0.000 1.356 729 M HN 0.116 nan 8.290 nan 0.000 0.415 730 T N 0.519 115.124 114.554 0.085 0.000 2.833 730 T HA -0.060 4.290 4.350 0.000 0.000 0.269 730 T C 1.787 176.527 174.700 0.066 0.000 1.054 730 T CA 1.469 63.602 62.100 0.054 0.000 1.135 730 T CB -0.556 68.326 68.868 0.025 0.000 0.869 730 T HN 0.599 nan 8.240 nan 0.000 0.466 731 G N 0.813 109.654 108.800 0.069 0.000 2.421 731 G HA2 -0.163 3.797 3.960 0.000 0.000 0.216 731 G HA3 -0.163 3.797 3.960 0.000 0.000 0.216 731 G C 1.655 176.608 174.900 0.088 0.000 1.171 731 G CA 0.904 46.041 45.100 0.062 0.000 0.775 731 G HN 0.444 nan 8.290 nan 0.000 0.543 732 V N 0.952 120.949 119.914 0.137 0.000 2.346 732 V HA -0.081 4.039 4.120 0.000 0.000 0.244 732 V C 2.861 179.090 176.094 0.225 0.000 1.037 732 V CA 1.782 64.199 62.300 0.194 0.000 1.029 732 V CB -0.383 31.596 31.823 0.260 0.000 0.663 732 V HN 0.337 nan 8.190 nan 0.000 0.454 733 M N -0.441 119.285 119.600 0.210 0.000 2.358 733 M HA -0.169 4.311 4.480 0.000 0.000 0.264 733 M C 2.256 178.591 176.300 0.059 0.000 1.064 733 M CA 1.891 57.239 55.300 0.079 0.000 1.093 733 M CB -0.551 32.020 32.600 -0.049 0.000 1.401 733 M HN 0.397 nan 8.290 nan 0.000 0.440 734 T N 0.093 114.687 114.554 0.066 0.000 2.978 734 T HA 0.085 4.435 4.350 0.000 0.000 0.262 734 T C 1.738 176.472 174.700 0.057 0.000 1.063 734 T CA 1.180 63.311 62.100 0.050 0.000 1.140 734 T CB 0.038 68.931 68.868 0.042 0.000 0.886 734 T HN 0.432 nan 8.240 nan 0.000 0.470 735 A N 1.500 124.362 122.820 0.071 0.000 1.865 735 A HA -0.085 4.235 4.320 0.000 0.000 0.217 735 A C 2.336 179.958 177.584 0.065 0.000 1.191 735 A CA 1.961 54.037 52.037 0.065 0.000 0.623 735 A CB -0.779 18.265 19.000 0.073 0.000 0.826 735 A HN 0.574 nan 8.150 nan 0.000 0.444 736 M N -1.425 118.225 119.600 0.082 0.000 2.082 736 M HA -0.210 4.270 4.480 0.000 0.000 0.258 736 M C 2.411 178.737 176.300 0.043 0.000 1.071 736 M CA 2.294 57.634 55.300 0.067 0.000 1.103 736 M CB -0.396 32.257 32.600 0.088 0.000 1.307 736 M HN 0.506 nan 8.290 nan 0.000 0.409 737 R N 0.401 120.927 120.500 0.043 0.000 2.094 737 R HA -0.225 4.115 4.340 0.000 0.000 0.239 737 R C 2.030 178.366 176.300 0.060 0.000 1.137 737 R CA 2.129 58.255 56.100 0.043 0.000 0.943 737 R CB -0.229 30.096 30.300 0.042 0.000 0.850 737 R HN 0.472 nan 8.270 nan 0.000 0.433 738 Q N -0.197 119.640 119.800 0.062 0.000 2.369 738 Q HA 0.046 4.386 4.340 0.000 0.000 0.206 738 Q C 0.210 176.256 176.000 0.078 0.000 0.963 738 Q CA 0.104 55.954 55.803 0.078 0.000 0.894 738 Q CB 0.354 29.129 28.738 0.061 0.000 0.965 738 Q HN 0.126 nan 8.270 nan 0.000 0.475 739 V N 2.342 122.286 119.914 0.051 0.000 2.720 739 V HA -0.126 3.994 4.120 0.000 0.000 0.307 739 V C 0.555 176.663 176.094 0.023 0.000 1.071 739 V CA 0.589 62.908 62.300 0.031 0.000 1.199 739 V CB 0.559 32.389 31.823 0.012 0.000 0.900 739 V HN 0.122 nan 8.190 nan 0.000 0.494 740 K N 4.393 124.802 120.400 0.016 0.000 2.187 740 K HA 0.145 4.465 4.320 0.000 0.000 0.242 740 K C 0.059 176.610 176.600 -0.082 0.000 1.179 740 K CA 0.157 56.434 56.287 -0.016 0.000 1.097 740 K CB -0.159 32.360 32.500 0.031 0.000 1.634 740 K HN 0.764 nan 8.250 nan 0.000 0.335 741 T N 2.328 116.817 114.554 -0.109 0.000 2.869 741 T HA 0.248 4.598 4.350 0.000 0.000 0.295 741 T C 0.538 175.151 174.700 -0.144 0.000 0.987 741 T CA -0.538 61.487 62.100 -0.123 0.000 1.109 741 T CB 0.544 69.340 68.868 -0.120 0.000 0.932 741 T HN 0.571 nan 8.240 nan 0.000 0.518 742 M N 4.376 123.908 119.600 -0.114 0.000 2.404 742 M HA 0.213 4.693 4.480 0.000 0.000 0.271 742 M C 1.863 178.195 176.300 0.053 0.000 1.128 742 M CA 0.390 55.655 55.300 -0.059 0.000 0.982 742 M CB -0.374 32.182 32.600 -0.073 0.000 1.445 742 M HN 0.828 nan 8.290 nan 0.000 0.495 743 T N -1.832 112.709 114.554 -0.022 0.000 2.851 743 T HA 0.140 4.490 4.350 0.000 0.000 0.262 743 T C -0.814 173.932 174.700 0.076 0.000 1.043 743 T CA 0.651 62.769 62.100 0.029 0.000 1.140 743 T CB -1.335 67.422 68.868 -0.185 0.000 0.872 743 T HN 0.179 nan 8.240 nan 0.000 0.446 744 P HA -0.094 nan 4.420 nan 0.000 0.217 744 P C 1.175 178.480 177.300 0.008 0.000 1.148 744 P CA 1.017 64.070 63.100 -0.077 0.000 0.834 744 P CB -0.307 31.353 31.700 -0.068 0.000 0.783 745 F N -1.631 118.314 119.950 -0.008 0.000 2.234 745 F HA -0.121 4.406 4.527 0.000 0.000 0.296 745 F C 2.296 178.192 175.800 0.160 0.000 1.089 745 F CA 0.697 58.760 58.000 0.104 0.000 1.343 745 F CB -0.649 38.385 39.000 0.058 0.000 1.040 745 F HN -0.156 nan 8.300 nan 0.000 0.498 746 Y N 0.742 121.096 120.300 0.090 0.000 2.200 746 Y HA -0.086 4.464 4.550 0.000 0.000 0.290 746 Y C 1.919 177.808 175.900 -0.019 0.000 1.137 746 Y CA 1.666 59.795 58.100 0.048 0.000 1.163 746 Y CB -0.626 37.930 38.460 0.159 0.000 0.988 746 Y HN 0.123 nan 8.280 nan 0.000 0.518 747 I N 0.632 121.085 120.570 -0.195 0.000 3.456 747 I HA -0.136 4.034 4.170 0.000 0.000 0.291 747 I C 1.623 177.599 176.117 -0.237 0.000 1.307 747 I CA 0.957 62.109 61.300 -0.245 0.000 1.333 747 I CB -0.143 37.739 38.000 -0.198 0.000 1.032 747 I HN 0.461 nan 8.210 nan 0.000 0.506 748 Q N -1.227 118.372 119.800 -0.334 0.000 2.089 748 Q HA 0.046 4.386 4.340 0.000 0.000 0.227 748 Q C 0.728 176.321 176.000 -0.679 0.000 0.774 748 Q CA 0.125 55.703 55.803 -0.376 0.000 0.960 748 Q CB 0.801 29.318 28.738 -0.367 0.000 1.179 748 Q HN 0.553 nan 8.270 nan 0.000 0.460 749 H N -1.656 117.112 119.070 -0.504 0.000 2.627 749 H HA 0.244 4.800 4.556 0.000 0.000 0.211 749 H C 1.435 176.521 175.328 -0.403 0.000 0.873 749 H CA 0.324 56.064 56.048 -0.513 0.000 0.969 749 H CB 0.561 29.789 29.762 -0.890 0.000 1.328 749 H HN 0.098 nan 8.280 nan 0.000 0.423 750 M N -0.291 119.134 119.600 -0.291 0.000 2.514 750 M HA 0.081 4.561 4.480 0.000 0.000 0.258 750 M C 2.270 178.375 176.300 -0.324 0.000 1.159 750 M CA 0.272 55.520 55.300 -0.087 0.000 1.116 750 M CB 0.526 33.347 32.600 0.368 0.000 1.333 750 M HN 0.109 nan 8.290 nan 0.000 0.487 751 C N 1.723 120.564 119.300 -0.764 0.000 2.464 751 C HA 0.065 4.525 4.460 0.000 0.000 0.278 751 C C -0.452 174.264 174.990 -0.456 0.000 1.375 751 C CA 0.334 58.952 59.018 -0.668 0.000 1.761 751 C CB -1.051 26.276 27.740 -0.688 0.000 1.944 751 C HN 0.262 nan 8.230 nan 0.000 0.509 752 P HA -0.042 nan 4.420 nan 0.000 0.217 752 P C 1.733 178.504 177.300 -0.881 0.000 1.154 752 P CA 1.624 64.107 63.100 -1.028 0.000 0.841 752 P CB -0.235 30.802 31.700 -1.106 0.000 0.788 753 T N -0.961 113.239 114.554 -0.590 0.000 3.025 753 T HA -0.104 4.246 4.350 0.000 0.000 0.270 753 T C 1.434 175.924 174.700 -0.351 0.000 1.126 753 T CA 1.105 62.933 62.100 -0.453 0.000 1.105 753 T CB -0.431 68.220 68.868 -0.361 0.000 0.884 753 T HN 0.167 nan 8.240 nan 0.000 0.522 754 E N 0.271 120.319 120.200 -0.254 0.000 2.045 754 E HA 0.083 4.433 4.350 0.000 0.000 0.190 754 E C 2.285 178.841 176.600 -0.073 0.000 0.968 754 E CA 0.475 56.866 56.400 -0.014 0.000 0.813 754 E CB -0.199 29.607 29.700 0.178 0.000 0.780 754 E HN 0.395 nan 8.360 nan 0.000 0.455 755 L N 1.817 123.003 121.223 -0.062 0.000 2.043 755 L HA -0.242 4.098 4.340 0.000 0.000 0.212 755 L C 2.838 179.684 176.870 -0.041 0.000 1.075 755 L CA 1.632 56.471 54.840 -0.002 0.000 0.752 755 L CB -0.639 41.497 42.059 0.129 0.000 0.891 755 L HN 0.187 nan 8.230 nan 0.000 0.432 756 S N -1.011 114.622 115.700 -0.112 0.000 2.374 756 S HA -0.182 4.288 4.470 0.000 0.000 0.227 756 S C 1.846 176.447 174.600 0.002 0.000 1.037 756 S CA 1.583 59.812 58.200 0.047 0.000 1.024 756 S CB -0.863 62.239 63.200 -0.164 0.000 0.861 756 S HN 0.189 nan 8.310 nan 0.000 0.456 757 V N 1.597 121.399 119.914 -0.188 0.000 2.256 757 V HA 0.012 4.132 4.120 0.000 0.000 0.240 757 V C 2.558 178.509 176.094 -0.238 0.000 1.036 757 V CA 1.156 63.282 62.300 -0.289 0.000 1.008 757 V CB -0.762 30.556 31.823 -0.842 0.000 0.648 757 V HN 0.380 nan 8.190 nan 0.000 0.453 758 L N 0.626 121.704 121.223 -0.243 0.000 2.197 758 L HA -0.192 4.148 4.340 0.000 0.000 0.215 758 L C 2.290 179.098 176.870 -0.103 0.000 1.095 758 L CA 2.370 57.143 54.840 -0.113 0.000 0.764 758 L CB -1.561 40.501 42.059 0.004 0.000 0.897 758 L HN 0.437 nan 8.230 nan 0.000 0.436 759 A N -2.577 120.164 122.820 -0.132 0.000 2.259 759 A HA 0.019 4.339 4.320 0.000 0.000 0.208 759 A C 2.342 179.851 177.584 -0.125 0.000 1.201 759 A CA 1.076 52.989 52.037 -0.206 0.000 0.824 759 A CB -0.158 18.577 19.000 -0.442 0.000 0.838 759 A HN 0.384 nan 8.150 nan 0.000 0.485 760 S N -1.033 114.632 115.700 -0.059 0.000 2.575 760 S HA 0.023 4.493 4.470 0.000 0.000 0.230 760 S C 1.219 175.717 174.600 -0.169 0.000 1.062 760 S CA 0.818 59.012 58.200 -0.010 0.000 0.913 760 S CB 0.004 63.242 63.200 0.062 0.000 0.837 760 S HN 0.803 nan 8.310 nan 0.000 0.487 761 V N 2.517 122.272 119.914 -0.265 0.000 3.337 761 V HA 0.433 4.553 4.120 0.000 0.000 0.343 761 V C -0.009 175.964 176.094 -0.203 0.000 1.302 761 V CA 0.239 62.316 62.300 -0.371 0.000 1.268 761 V CB -1.124 30.395 31.823 -0.506 0.000 1.185 761 V HN 0.517 nan 8.190 nan 0.000 0.447 762 T N -3.424 111.058 114.554 -0.120 0.000 2.792 762 T HA 0.515 4.865 4.350 0.000 0.000 0.280 762 T C 0.726 175.403 174.700 -0.038 0.000 0.990 762 T CA -0.228 61.839 62.100 -0.054 0.000 0.960 762 T CB 1.750 70.623 68.868 0.008 0.000 0.939 762 T HN -0.080 nan 8.240 nan 0.000 0.439 763 V N 2.228 122.118 119.914 -0.040 0.000 2.794 763 V HA -0.039 4.082 4.120 0.000 0.000 0.260 763 V C 1.470 177.565 176.094 0.001 0.000 1.103 763 V CA 2.146 64.432 62.300 -0.023 0.000 1.125 763 V CB -0.320 31.488 31.823 -0.026 0.000 0.702 763 V HN 1.117 nan 8.190 nan 0.000 0.494 764 T N 1.503 116.053 114.554 -0.006 0.000 2.963 764 T HA 0.375 4.725 4.350 0.000 0.000 0.328 764 T C -2.611 172.156 174.700 0.112 0.000 1.048 764 T CA -1.755 60.343 62.100 -0.002 0.000 1.033 764 T CB 1.408 70.159 68.868 -0.193 0.000 1.010 764 T HN 0.159 nan 8.240 nan 0.000 0.469 765 P HA 0.212 nan 4.420 nan 0.000 0.269 765 P C -2.748 174.688 177.300 0.227 0.000 1.217 765 P CA -1.192 61.989 63.100 0.135 0.000 0.783 765 P CB -0.225 31.555 31.700 0.132 0.000 0.898 766 P HA 0.140 nan 4.420 nan 0.000 0.282 766 P C -0.795 176.581 177.300 0.127 0.000 1.274 766 P CA -0.092 62.977 63.100 -0.051 0.000 0.770 766 P CB 0.068 31.510 31.700 -0.429 0.000 0.867 767 F N 4.108 124.159 119.950 0.168 0.000 2.420 767 F HA 0.345 4.872 4.527 0.000 0.000 0.352 767 F C 0.151 175.977 175.800 0.044 0.000 1.108 767 F CA -0.051 57.997 58.000 0.080 0.000 1.162 767 F CB 0.950 40.029 39.000 0.132 0.000 1.118 767 F HN 0.327 nan 8.300 nan 0.000 0.510 768 Q N 6.563 126.081 119.800 -0.471 0.000 2.374 768 Q HA 0.405 4.745 4.340 0.000 0.000 0.250 768 Q C -1.513 174.243 176.000 -0.405 0.000 0.918 768 Q CA -0.758 54.812 55.803 -0.389 0.000 0.778 768 Q CB 1.772 30.364 28.738 -0.244 0.000 1.328 768 Q HN 0.686 nan 8.270 nan 0.000 0.445 769 V N 2.137 121.798 119.914 -0.423 0.000 2.686 769 V HA 0.594 4.714 4.120 0.000 0.000 0.295 769 V C -2.189 173.610 176.094 -0.492 0.000 1.055 769 V CA -1.506 60.579 62.300 -0.359 0.000 1.050 769 V CB 0.433 31.922 31.823 -0.557 0.000 0.984 769 V HN 0.617 nan 8.190 nan 0.000 0.482 770 P HA 0.016 nan 4.420 nan 0.000 0.264 770 P C -0.694 176.378 177.300 -0.380 0.000 1.179 770 P CA 0.306 63.204 63.100 -0.337 0.000 0.763 770 P CB 0.231 31.792 31.700 -0.232 0.000 0.806 771 F N 1.400 121.235 119.950 -0.192 0.000 2.382 771 F HA 0.359 4.886 4.527 0.000 0.000 0.331 771 F C 1.151 176.848 175.800 -0.171 0.000 1.121 771 F CA 0.726 58.617 58.000 -0.180 0.000 1.183 771 F CB 0.906 39.781 39.000 -0.209 0.000 1.207 771 F HN 0.177 nan 8.300 nan 0.000 0.555 772 T N 2.070 116.679 114.554 0.092 0.000 3.143 772 T HA 0.323 4.673 4.350 0.000 0.000 0.312 772 T C -0.937 173.751 174.700 -0.021 0.000 0.986 772 T CA -0.973 61.121 62.100 -0.010 0.000 1.024 772 T CB 1.122 69.949 68.868 -0.068 0.000 1.030 772 T HN 0.563 nan 8.240 nan 0.000 0.448 773 R N 3.022 123.491 120.500 -0.052 0.000 2.233 773 R HA 0.598 4.938 4.340 0.000 0.000 0.334 773 R C -0.299 175.965 176.300 -0.061 0.000 1.037 773 R CA -0.765 55.273 56.100 -0.102 0.000 0.920 773 R CB -0.003 30.243 30.300 -0.089 0.000 1.137 773 R HN 0.412 nan 8.270 nan 0.000 0.492 774 L N 1.722 122.976 121.223 0.052 0.000 5.081 774 L HA -0.276 4.064 4.340 0.000 0.000 0.423 774 L C 1.036 177.991 176.870 0.141 0.000 1.019 774 L CA 1.168 56.140 54.840 0.219 0.000 1.223 774 L CB -1.669 40.370 42.059 -0.034 0.000 1.940 774 L HN 0.610 nan 8.230 nan 0.000 0.675 775 V N -0.645 119.277 119.914 0.013 0.000 3.488 775 V HA -0.213 3.907 4.120 0.000 0.000 0.273 775 V C 1.875 177.892 176.094 -0.128 0.000 1.209 775 V CA 1.642 63.909 62.300 -0.055 0.000 1.179 775 V CB -0.678 31.106 31.823 -0.066 0.000 0.842 775 V HN 0.751 nan 8.190 nan 0.000 0.515 776 Q N 1.945 121.588 119.800 -0.262 0.000 2.443 776 Q HA -0.397 3.943 4.340 0.000 0.000 0.445 776 Q C 0.651 176.451 176.000 -0.333 0.000 0.566 776 Q CA 2.400 57.831 55.803 -0.620 0.000 0.976 776 Q CB -0.907 27.553 28.738 -0.465 0.000 2.346 776 Q HN 0.863 nan 8.270 nan 0.000 1.001 777 N N 2.407 121.050 118.700 -0.095 0.000 2.377 777 N HA -0.070 4.670 4.740 0.000 0.000 0.299 777 N C -0.273 175.201 175.510 -0.060 0.000 1.251 777 N CA 1.642 54.722 53.050 0.049 0.000 1.130 777 N CB -0.123 38.364 38.487 -0.000 0.000 1.487 777 N HN 0.713 nan 8.380 nan 0.000 0.490 778 D N -1.800 118.553 120.400 -0.078 0.000 4.120 778 D HA -0.163 4.477 4.640 0.000 0.000 0.323 778 D C -0.888 175.328 176.300 -0.141 0.000 0.450 778 D CA -0.338 53.607 54.000 -0.092 0.000 0.745 778 D CB -0.969 39.778 40.800 -0.087 0.000 1.601 778 D HN 0.206 nan 8.370 nan 0.000 0.146 779 V N 3.558 123.364 119.914 -0.180 0.000 2.390 779 V HA 0.260 4.380 4.120 0.000 0.000 0.260 779 V C 0.895 176.862 176.094 -0.213 0.000 1.043 779 V CA -0.315 61.852 62.300 -0.221 0.000 1.047 779 V CB -0.622 31.035 31.823 -0.278 0.000 1.066 779 V HN 0.118 nan 8.190 nan 0.000 0.481 780 I N 7.233 127.600 120.570 -0.338 0.000 3.192 780 I HA -0.138 4.032 4.170 0.000 0.000 0.314 780 I C 1.851 177.859 176.117 -0.182 0.000 1.243 780 I CA 1.154 62.203 61.300 -0.419 0.000 1.404 780 I CB 0.051 37.473 38.000 -0.963 0.000 1.374 780 I HN 0.913 nan 8.210 nan 0.000 0.522 781 T N 2.221 116.760 114.554 -0.025 0.000 2.814 781 T HA 0.023 4.373 4.350 0.000 0.000 0.254 781 T C 0.660 175.503 174.700 0.238 0.000 1.037 781 T CA 0.453 62.635 62.100 0.136 0.000 1.143 781 T CB 0.002 68.933 68.868 0.104 0.000 0.866 781 T HN 0.548 nan 8.240 nan 0.000 0.431 782 N N -0.277 118.511 118.700 0.147 0.000 2.240 782 N HA 0.664 5.404 4.740 0.000 0.000 0.302 782 N C -1.895 173.695 175.510 0.134 0.000 1.106 782 N CA -0.695 52.475 53.050 0.200 0.000 0.778 782 N CB 2.705 41.300 38.487 0.180 0.000 1.431 782 N HN 0.106 nan 8.380 nan 0.000 0.479 783 V N 2.100 122.149 119.914 0.224 0.000 2.540 783 V HA 0.664 4.784 4.120 0.000 0.000 0.302 783 V C -1.005 175.252 176.094 0.272 0.000 1.035 783 V CA -0.589 61.862 62.300 0.251 0.000 0.873 783 V CB 1.149 33.187 31.823 0.358 0.000 0.992 783 V HN 0.442 nan 8.190 nan 0.000 0.428 784 L N 4.678 126.050 121.223 0.249 0.000 2.506 784 L HA 0.642 4.982 4.340 0.000 0.000 0.257 784 L C -0.568 176.412 176.870 0.183 0.000 0.964 784 L CA -0.471 54.490 54.840 0.201 0.000 0.836 784 L CB 2.163 44.311 42.059 0.148 0.000 1.384 784 L HN 0.352 nan 8.230 nan 0.000 0.410 785 V N 1.011 121.014 119.914 0.149 0.000 2.481 785 V HA 0.879 4.999 4.120 0.000 0.000 0.286 785 V C 0.120 176.266 176.094 0.086 0.000 1.042 785 V CA -0.520 61.843 62.300 0.106 0.000 0.928 785 V CB 1.452 33.322 31.823 0.078 0.000 0.986 785 V HN 0.858 nan 8.190 nan 0.000 0.462 786 A N 3.969 126.828 122.820 0.064 0.000 2.330 786 A HA 0.646 4.966 4.320 0.000 0.000 0.313 786 A C 0.400 178.011 177.584 0.044 0.000 1.124 786 A CA -0.771 51.298 52.037 0.054 0.000 0.774 786 A CB 0.893 19.923 19.000 0.051 0.000 1.198 786 A HN 0.846 nan 8.150 nan 0.000 0.465 787 R N 0.734 121.249 120.500 0.025 0.000 2.346 787 R HA 0.319 4.659 4.340 0.000 0.000 0.225 787 R C -0.239 176.069 176.300 0.013 0.000 0.987 787 R CA 0.577 56.679 56.100 0.005 0.000 1.106 787 R CB 0.129 30.403 30.300 -0.043 0.000 1.090 787 R HN 0.617 nan 8.270 nan 0.000 0.502 788 V N 0.584 120.524 119.914 0.043 0.000 2.769 788 V HA -0.050 4.070 4.120 0.000 0.000 0.247 788 V C -1.804 174.338 176.094 0.081 0.000 1.794 788 V CA -1.231 61.106 62.300 0.061 0.000 0.860 788 V CB 1.512 33.362 31.823 0.044 0.000 1.327 788 V HN 0.280 nan 8.190 nan 0.000 0.476 789 D N 7.505 127.976 120.400 0.118 0.000 2.533 789 D HA 0.061 4.701 4.640 0.000 0.000 0.236 789 D C -1.874 174.474 176.300 0.080 0.000 1.137 789 D CA -0.567 53.511 54.000 0.131 0.000 0.867 789 D CB 1.091 41.991 40.800 0.167 0.000 1.170 789 D HN 0.385 nan 8.370 nan 0.000 0.474 790 P HA -0.299 nan 4.420 nan 0.000 0.217 790 P C 1.386 178.710 177.300 0.040 0.000 1.158 790 P CA 2.578 65.705 63.100 0.044 0.000 0.887 790 P CB 0.115 31.836 31.700 0.034 0.000 0.792 791 A N -0.057 122.788 122.820 0.042 0.000 1.862 791 A HA -0.344 3.976 4.320 0.000 0.000 0.217 791 A C 2.072 179.676 177.584 0.033 0.000 1.251 791 A CA 2.388 54.445 52.037 0.033 0.000 0.673 791 A CB -1.764 17.255 19.000 0.033 0.000 0.843 791 A HN 0.261 nan 8.150 nan 0.000 0.458 792 Q N -0.632 119.192 119.800 0.040 0.000 2.557 792 Q HA -0.032 4.308 4.340 0.000 0.000 0.217 792 Q C 0.839 176.864 176.000 0.043 0.000 0.978 792 Q CA 0.096 55.923 55.803 0.041 0.000 0.950 792 Q CB -0.210 28.559 28.738 0.052 0.000 0.991 792 Q HN 0.497 nan 8.270 nan 0.000 0.533 793 R N 1.297 121.821 120.500 0.040 0.000 2.429 793 R HA 0.174 4.514 4.340 0.000 0.000 0.302 793 R C -0.243 176.074 176.300 0.028 0.000 1.268 793 R CA -0.230 55.891 56.100 0.036 0.000 1.090 793 R CB 0.019 30.341 30.300 0.036 0.000 1.102 793 R HN 0.058 nan 8.270 nan 0.000 0.522 794 G N 2.714 111.529 108.800 0.026 0.000 2.483 794 G HA2 0.050 4.010 3.960 0.000 0.000 0.248 794 G HA3 0.050 4.010 3.960 0.000 0.000 0.248 794 G C -0.513 174.399 174.900 0.019 0.000 1.248 794 G CA -0.178 44.935 45.100 0.021 0.000 0.838 794 G HN 0.813 nan 8.290 nan 0.000 0.566 795 D N -0.772 119.638 120.400 0.017 0.000 2.990 795 D HA -0.132 4.508 4.640 0.000 0.000 0.245 795 D C 0.955 177.267 176.300 0.019 0.000 1.120 795 D CA 1.064 55.074 54.000 0.016 0.000 0.838 795 D CB -1.154 39.654 40.800 0.014 0.000 1.000 795 D HN 0.977 nan 8.370 nan 0.000 0.420 796 A N 0.719 123.551 122.820 0.020 0.000 2.583 796 A HA 0.372 4.692 4.320 0.000 0.000 0.249 796 A C 0.834 178.434 177.584 0.027 0.000 1.035 796 A CA 1.104 53.155 52.037 0.024 0.000 0.777 796 A CB 0.320 19.333 19.000 0.022 0.000 0.942 796 A HN 0.890 nan 8.150 nan 0.000 0.516 797 A N 3.998 126.837 122.820 0.032 0.000 2.569 797 A HA 0.564 4.884 4.320 0.000 0.000 0.282 797 A C -0.107 177.507 177.584 0.051 0.000 1.165 797 A CA -0.498 51.563 52.037 0.040 0.000 0.747 797 A CB 0.530 19.552 19.000 0.037 0.000 1.215 797 A HN 1.062 nan 8.150 nan 0.000 0.431 798 V N 1.463 121.411 119.914 0.056 0.000 3.376 798 V HA 0.074 4.194 4.120 0.000 0.000 0.303 798 V C 0.835 176.984 176.094 0.092 0.000 1.100 798 V CA -0.323 62.018 62.300 0.068 0.000 1.126 798 V CB 0.782 32.643 31.823 0.064 0.000 1.085 798 V HN 0.883 nan 8.190 nan 0.000 0.480 799 D N 0.765 121.229 120.400 0.107 0.000 2.317 799 D HA 0.035 4.675 4.640 0.000 0.000 0.252 799 D C 1.006 177.392 176.300 0.144 0.000 1.174 799 D CA -0.413 53.673 54.000 0.144 0.000 0.866 799 D CB 1.160 42.049 40.800 0.148 0.000 1.127 799 D HN 0.450 nan 8.370 nan 0.000 0.467 800 I N 5.427 126.091 120.570 0.156 0.000 2.227 800 I HA -0.349 3.821 4.170 0.000 0.000 0.250 800 I C 2.208 178.395 176.117 0.116 0.000 1.087 800 I CA 1.629 62.990 61.300 0.102 0.000 1.352 800 I CB -0.120 37.910 38.000 0.051 0.000 1.043 800 I HN 0.491 nan 8.210 nan 0.000 0.425 801 R N 0.256 120.863 120.500 0.178 0.000 2.153 801 R HA -0.260 4.080 4.340 0.000 0.000 0.252 801 R C 2.324 178.768 176.300 0.240 0.000 1.158 801 R CA 1.683 57.941 56.100 0.264 0.000 0.975 801 R CB -0.792 29.651 30.300 0.238 0.000 0.871 801 R HN 0.587 nan 8.270 nan 0.000 0.450 802 A N 0.073 122.991 122.820 0.163 0.000 1.958 802 A HA -0.257 4.063 4.320 0.000 0.000 0.221 802 A C 2.108 179.743 177.584 0.086 0.000 1.178 802 A CA 2.293 54.409 52.037 0.133 0.000 0.642 802 A CB -1.000 18.060 19.000 0.101 0.000 0.816 802 A HN 0.388 nan 8.150 nan 0.000 0.453 803 T N -0.055 114.501 114.554 0.004 0.000 2.759 803 T HA -0.105 4.245 4.350 0.000 0.000 0.269 803 T C 0.818 175.431 174.700 -0.145 0.000 1.042 803 T CA 1.083 63.117 62.100 -0.111 0.000 1.140 803 T CB -0.503 68.227 68.868 -0.230 0.000 0.864 803 T HN 0.636 nan 8.240 nan 0.000 0.455 804 H N 0.347 119.452 119.070 0.058 0.000 2.815 804 H HA 0.342 4.898 4.556 0.000 0.000 0.350 804 H C 1.501 176.869 175.328 0.068 0.000 1.080 804 H CA 0.147 56.227 56.048 0.053 0.000 1.433 804 H CB 0.689 30.483 29.762 0.053 0.000 1.432 804 H HN 0.215 nan 8.280 nan 0.000 0.592 805 A N 3.648 126.562 122.820 0.157 0.000 1.829 805 A HA -0.139 4.181 4.320 0.000 0.000 0.216 805 A C 1.213 178.887 177.584 0.150 0.000 1.207 805 A CA 1.810 53.919 52.037 0.119 0.000 0.622 805 A CB -1.062 17.982 19.000 0.073 0.000 0.846 805 A HN 0.805 nan 8.150 nan 0.000 0.447 806 T N -1.905 112.714 114.554 0.107 0.000 2.918 806 T HA 0.325 4.675 4.350 0.000 0.000 0.302 806 T C 0.758 175.485 174.700 0.045 0.000 1.045 806 T CA 0.195 62.322 62.100 0.044 0.000 1.114 806 T CB 0.444 69.259 68.868 -0.087 0.000 0.965 806 T HN 0.702 nan 8.240 nan 0.000 0.540 807 F N 0.493 120.537 119.950 0.156 0.000 2.250 807 F HA 0.326 4.853 4.527 0.000 0.000 0.301 807 F C 0.830 176.710 175.800 0.133 0.000 1.077 807 F CA -0.229 57.857 58.000 0.143 0.000 1.348 807 F CB -0.876 38.191 39.000 0.111 0.000 1.040 807 F HN 0.773 nan 8.300 nan 0.000 0.509 808 A N 0.361 123.046 122.820 -0.226 0.000 2.380 808 A HA 0.779 5.099 4.320 0.000 0.000 0.315 808 A C 0.091 177.603 177.584 -0.121 0.000 1.101 808 A CA -0.694 51.323 52.037 -0.033 0.000 0.771 808 A CB 0.522 19.526 19.000 0.007 0.000 1.287 808 A HN 0.668 nan 8.150 nan 0.000 0.436 809 A N 1.136 123.897 122.820 -0.098 0.000 2.504 809 A HA 0.386 4.706 4.320 0.000 0.000 0.280 809 A C 0.947 178.472 177.584 -0.097 0.000 1.125 809 A CA 0.617 52.560 52.037 -0.157 0.000 0.873 809 A CB -1.175 17.753 19.000 -0.121 0.000 0.997 809 A HN 2.160 nan 8.150 nan 0.000 0.542 810 A N 3.498 126.265 122.820 -0.089 0.000 2.618 810 A HA 0.362 4.682 4.320 0.000 0.000 0.293 810 A C 0.265 177.848 177.584 -0.003 0.000 1.413 810 A CA -0.075 51.941 52.037 -0.036 0.000 1.074 810 A CB -0.640 18.359 19.000 -0.001 0.000 1.087 810 A HN 1.672 nan 8.150 nan 0.000 0.553 811 L N 5.651 126.877 121.223 0.006 0.000 2.283 811 L HA 0.530 4.870 4.340 0.000 0.000 0.287 811 L C -2.591 174.306 176.870 0.045 0.000 1.073 811 L CA -2.194 52.660 54.840 0.023 0.000 0.822 811 L CB 0.700 42.773 42.059 0.024 0.000 1.186 811 L HN 0.206 nan 8.230 nan 0.000 0.436 812 P HA 0.130 nan 4.420 nan 0.000 0.271 812 P C -1.079 176.264 177.300 0.071 0.000 1.233 812 P CA 0.006 63.151 63.100 0.075 0.000 0.764 812 P CB 1.188 32.934 31.700 0.077 0.000 0.825 813 V N 3.531 123.493 119.914 0.080 0.000 2.555 813 V HA 0.336 4.456 4.120 0.000 0.000 0.302 813 V C -0.603 175.540 176.094 0.080 0.000 1.038 813 V CA -0.809 61.533 62.300 0.070 0.000 0.887 813 V CB 1.758 33.616 31.823 0.057 0.000 0.991 813 V HN 0.408 nan 8.190 nan 0.000 0.434 814 D N 8.101 128.546 120.400 0.074 0.000 2.317 814 D HA 0.392 5.032 4.640 0.000 0.000 0.252 814 D C -1.227 175.115 176.300 0.071 0.000 1.174 814 D CA -1.623 52.423 54.000 0.077 0.000 0.866 814 D CB 1.911 42.755 40.800 0.074 0.000 1.127 814 D HN 0.361 nan 8.370 nan 0.000 0.467 815 P HA -0.222 nan 4.420 nan 0.000 0.214 815 P C 1.199 178.518 177.300 0.032 0.000 1.162 815 P CA 1.325 64.460 63.100 0.059 0.000 0.879 815 P CB -0.011 31.725 31.700 0.060 0.000 0.786 816 A N 0.600 123.482 122.820 0.104 0.000 1.971 816 A HA -0.232 4.088 4.320 0.000 0.000 0.222 816 A C 2.497 180.066 177.584 -0.025 0.000 1.182 816 A CA 2.882 54.990 52.037 0.120 0.000 0.649 816 A CB -1.572 17.582 19.000 0.257 0.000 0.818 816 A HN 0.330 nan 8.150 nan 0.000 0.458 817 A N -0.468 122.366 122.820 0.023 0.000 1.843 817 A HA 0.078 4.398 4.320 0.000 0.000 0.213 817 A C 2.100 179.708 177.584 0.041 0.000 1.202 817 A CA 1.153 53.211 52.037 0.035 0.000 0.607 817 A CB -0.623 18.413 19.000 0.060 0.000 0.847 817 A HN 0.438 nan 8.150 nan 0.000 0.445 818 I N -0.241 120.364 120.570 0.057 0.000 2.185 818 I HA -0.286 3.884 4.170 0.000 0.000 0.246 818 I C 2.466 178.582 176.117 -0.002 0.000 1.088 818 I CA 1.713 63.066 61.300 0.089 0.000 1.347 818 I CB -0.243 37.817 38.000 0.101 0.000 1.041 818 I HN 0.281 nan 8.210 nan 0.000 0.415 819 V N 0.367 120.215 119.914 -0.110 0.000 2.332 819 V HA -0.242 3.878 4.120 0.000 0.000 0.248 819 V C 2.371 178.335 176.094 -0.218 0.000 1.055 819 V CA 1.956 64.123 62.300 -0.220 0.000 1.038 819 V CB -0.024 31.481 31.823 -0.530 0.000 0.651 819 V HN 0.226 nan 8.190 nan 0.000 0.450 820 V N 0.680 120.482 119.914 -0.187 0.000 2.220 820 V HA -0.256 3.864 4.120 0.000 0.000 0.246 820 V C 2.896 178.913 176.094 -0.128 0.000 1.049 820 V CA 2.422 64.664 62.300 -0.096 0.000 1.003 820 V CB -1.507 30.336 31.823 0.033 0.000 0.634 820 V HN 0.676 nan 8.190 nan 0.000 0.444 821 A N -0.819 121.922 122.820 -0.133 0.000 1.927 821 A HA -0.339 3.981 4.320 0.000 0.000 0.220 821 A C 2.239 179.448 177.584 -0.624 0.000 1.185 821 A CA 2.742 54.466 52.037 -0.522 0.000 0.639 821 A CB -0.619 18.045 19.000 -0.559 0.000 0.820 821 A HN 0.533 nan 8.150 nan 0.000 0.451 822 M N -1.130 118.228 119.600 -0.403 0.000 2.296 822 M HA 0.019 4.499 4.480 0.000 0.000 0.265 822 M C 0.824 176.992 176.300 -0.220 0.000 1.064 822 M CA 1.012 56.136 55.300 -0.292 0.000 1.109 822 M CB -0.122 32.418 32.600 -0.100 0.000 1.396 822 M HN 0.303 nan 8.290 nan 0.000 0.430 823 L N 0.066 121.175 121.223 -0.190 0.000 2.783 823 L HA 0.141 4.481 4.340 0.000 0.000 0.236 823 L C -0.270 176.520 176.870 -0.134 0.000 1.225 823 L CA -0.539 54.222 54.840 -0.131 0.000 1.026 823 L CB -0.222 41.784 42.059 -0.089 0.000 1.314 823 L HN 0.456 nan 8.230 nan 0.000 0.489 824 C N -2.882 116.300 119.300 -0.197 0.000 2.796 824 C HA 0.488 4.948 4.460 0.000 0.000 0.365 824 C C 0.292 175.133 174.990 -0.248 0.000 0.820 824 C CA -0.881 58.030 59.018 -0.178 0.000 1.096 824 C CB -0.781 26.880 27.740 -0.131 0.000 1.478 824 C HN 0.388 nan 8.230 nan 0.000 0.635 825 G N 3.644 112.311 108.800 -0.223 0.000 4.519 825 G HA2 0.526 4.486 3.960 0.000 0.000 0.336 825 G HA3 0.526 4.486 3.960 0.000 0.000 0.336 825 G C -0.117 174.692 174.900 -0.151 0.000 1.491 825 G CA -0.093 44.867 45.100 -0.234 0.000 1.008 825 G HN 0.891 nan 8.290 nan 0.000 0.515 826 Q N 0.382 120.103 119.800 -0.132 0.000 2.299 826 Q HA 0.408 4.748 4.340 0.000 0.000 0.246 826 Q C -0.139 175.797 176.000 -0.107 0.000 0.935 826 Q CA -0.306 55.434 55.803 -0.105 0.000 0.887 826 Q CB 1.047 29.732 28.738 -0.089 0.000 1.223 826 Q HN 0.315 nan 8.270 nan 0.000 0.439 827 T N -1.614 112.880 114.554 -0.101 0.000 2.934 827 T HA 0.271 4.621 4.350 0.000 0.000 0.283 827 T C 0.092 174.720 174.700 -0.121 0.000 1.005 827 T CA -0.951 61.080 62.100 -0.115 0.000 1.041 827 T CB 1.405 70.212 68.868 -0.102 0.000 1.042 827 T HN 0.685 nan 8.240 nan 0.000 0.505 828 E N 1.106 121.218 120.200 -0.147 0.000 2.558 828 E HA -0.071 4.279 4.350 0.000 0.000 0.255 828 E C 1.366 177.897 176.600 -0.116 0.000 0.968 828 E CA 0.299 56.618 56.400 -0.134 0.000 0.939 828 E CB 0.539 30.136 29.700 -0.172 0.000 0.921 828 E HN 0.838 nan 8.360 nan 0.000 0.477 829 T N 4.230 118.730 114.554 -0.089 0.000 2.427 829 T HA -0.304 4.046 4.350 0.000 0.000 0.244 829 T C 0.305 174.958 174.700 -0.079 0.000 1.325 829 T CA 2.222 64.277 62.100 -0.076 0.000 1.173 829 T CB -0.432 68.401 68.868 -0.059 0.000 0.859 829 T HN 0.654 nan 8.240 nan 0.000 0.415 830 N N 1.896 120.553 118.700 -0.072 0.000 2.452 830 N HA 0.475 5.215 4.740 0.000 0.000 0.266 830 N C -0.919 174.539 175.510 -0.088 0.000 1.175 830 N CA -0.145 52.866 53.050 -0.064 0.000 0.945 830 N CB 1.069 39.528 38.487 -0.046 0.000 1.063 830 N HN 0.423 nan 8.380 nan 0.000 0.472 831 L N 3.251 124.420 121.223 -0.089 0.000 2.617 831 L HA 0.448 4.788 4.340 0.000 0.000 0.259 831 L C -1.627 175.179 176.870 -0.106 0.000 0.995 831 L CA -0.167 54.600 54.840 -0.121 0.000 0.899 831 L CB 0.776 42.741 42.059 -0.157 0.000 1.181 831 L HN 0.550 nan 8.230 nan 0.000 0.437 832 I N 7.569 128.081 120.570 -0.096 0.000 2.282 832 I HA 0.256 4.426 4.170 0.000 0.000 0.290 832 I C -1.270 174.734 176.117 -0.188 0.000 1.090 832 I CA -1.702 59.504 61.300 -0.156 0.000 1.231 832 I CB 1.037 38.900 38.000 -0.227 0.000 1.434 832 I HN 0.458 nan 8.210 nan 0.000 0.487 833 P HA -0.286 nan 4.420 nan 0.000 0.220 833 P C 1.838 179.051 177.300 -0.145 0.000 1.155 833 P CA 1.392 64.396 63.100 -0.161 0.000 0.880 833 P CB 0.274 31.971 31.700 -0.005 0.000 0.790 834 S N -1.520 114.071 115.700 -0.181 0.000 2.365 834 S HA -0.265 4.205 4.470 0.000 0.000 0.221 834 S C 1.944 176.404 174.600 -0.232 0.000 1.037 834 S CA 1.566 59.641 58.200 -0.209 0.000 1.060 834 S CB -1.112 61.885 63.200 -0.338 0.000 0.974 834 S HN 0.204 nan 8.310 nan 0.000 0.427 835 H N -0.355 118.598 119.070 -0.196 0.000 2.387 835 H HA -0.042 4.514 4.556 0.000 0.000 0.299 835 H C 2.158 177.300 175.328 -0.308 0.000 1.090 835 H CA 1.799 57.656 56.048 -0.317 0.000 1.332 835 H CB -1.253 28.360 29.762 -0.248 0.000 1.386 835 H HN 0.665 nan 8.280 nan 0.000 0.516 836 H N 0.420 119.358 119.070 -0.219 0.000 2.253 836 H HA -0.151 4.405 4.556 0.000 0.000 0.299 836 H C 2.075 177.208 175.328 -0.325 0.000 1.064 836 H CA 1.936 57.805 56.048 -0.298 0.000 1.264 836 H CB -0.938 28.576 29.762 -0.413 0.000 1.371 836 H HN 0.310 nan 8.280 nan 0.000 0.493 837 Y N -0.053 119.912 120.300 -0.558 0.000 2.241 837 Y HA -0.237 4.313 4.550 0.000 0.000 0.286 837 Y C 2.795 178.298 175.900 -0.662 0.000 1.166 837 Y CA 0.345 57.974 58.100 -0.786 0.000 1.203 837 Y CB -0.435 37.803 38.460 -0.370 0.000 0.977 837 Y HN 0.435 nan 8.280 nan 0.000 0.529 838 G N 0.397 109.033 108.800 -0.274 0.000 2.511 838 G HA2 -0.270 3.690 3.960 0.000 0.000 0.216 838 G HA3 -0.270 3.690 3.960 0.000 0.000 0.216 838 G C 1.511 176.222 174.900 -0.315 0.000 1.218 838 G CA 1.090 46.001 45.100 -0.315 0.000 0.788 838 G HN 0.304 nan 8.290 nan 0.000 0.560 839 K N 0.751 120.927 120.400 -0.374 0.000 2.113 839 K HA -0.061 4.259 4.320 0.000 0.000 0.208 839 K C 2.886 179.481 176.600 -0.007 0.000 1.047 839 K CA 1.108 57.380 56.287 -0.026 0.000 0.928 839 K CB -0.241 32.262 32.500 0.006 0.000 0.716 839 K HN 0.298 nan 8.250 nan 0.000 0.446 840 A N 1.133 123.809 122.820 -0.239 0.000 1.855 840 A HA -0.103 4.217 4.320 0.000 0.000 0.215 840 A C 1.654 179.211 177.584 -0.045 0.000 1.191 840 A CA 1.152 53.045 52.037 -0.239 0.000 0.613 840 A CB -0.625 18.051 19.000 -0.540 0.000 0.829 840 A HN 0.211 nan 8.150 nan 0.000 0.442 841 F N 0.489 120.466 119.950 0.045 0.000 2.771 841 F HA 0.194 4.721 4.527 0.000 0.000 0.299 841 F C 2.294 178.179 175.800 0.141 0.000 1.177 841 F CA -0.257 57.819 58.000 0.126 0.000 1.450 841 F CB -1.134 37.910 39.000 0.073 0.000 1.114 841 F HN 0.273 nan 8.300 nan 0.000 0.587 842 A N 1.010 123.976 122.820 0.244 0.000 1.832 842 A HA -0.021 4.299 4.320 0.000 0.000 0.214 842 A C 0.066 177.781 177.584 0.219 0.000 1.204 842 A CA 0.955 53.107 52.037 0.192 0.000 0.606 842 A CB -1.808 17.358 19.000 0.276 0.000 0.849 842 A HN 0.188 nan 8.150 nan 0.000 0.445 843 P HA -0.157 nan 4.420 nan 0.000 0.217 843 P C 1.395 178.814 177.300 0.198 0.000 1.148 843 P CA 0.900 64.104 63.100 0.173 0.000 0.828 843 P CB -0.142 31.634 31.700 0.127 0.000 0.783 844 L N -2.713 118.667 121.223 0.261 0.000 2.017 844 L HA -0.148 4.192 4.340 0.000 0.000 0.208 844 L C 1.996 178.940 176.870 0.122 0.000 1.073 844 L CA 1.543 56.500 54.840 0.195 0.000 0.745 844 L CB -0.975 41.232 42.059 0.246 0.000 0.894 844 L HN -0.044 nan 8.230 nan 0.000 0.432 845 F N -0.064 119.930 119.950 0.074 0.000 2.802 845 F HA 0.055 4.582 4.527 0.000 0.000 0.300 845 F C 2.276 178.229 175.800 0.255 0.000 1.168 845 F CA 0.494 58.551 58.000 0.096 0.000 1.433 845 F CB -0.802 38.226 39.000 0.047 0.000 1.115 845 F HN -0.019 nan 8.300 nan 0.000 0.582 846 A N -0.525 122.531 122.820 0.393 0.000 1.970 846 A HA -0.025 4.295 4.320 0.000 0.000 0.216 846 A C 1.476 179.156 177.584 0.161 0.000 1.170 846 A CA 0.776 53.034 52.037 0.368 0.000 0.645 846 A CB -0.736 18.434 19.000 0.284 0.000 0.816 846 A HN 0.224 nan 8.150 nan 0.000 0.447 847 S N 1.337 117.091 115.700 0.091 0.000 2.400 847 S HA 0.154 4.624 4.470 0.000 0.000 0.295 847 S C 0.091 174.664 174.600 -0.044 0.000 1.113 847 S CA -0.312 57.899 58.200 0.018 0.000 1.064 847 S CB -0.552 62.650 63.200 0.003 0.000 0.990 847 S HN 0.557 nan 8.310 nan 0.000 0.502 848 N N 2.694 121.371 118.700 -0.038 0.000 2.944 848 N HA 0.062 4.802 4.740 0.000 0.000 0.288 848 N C 1.033 176.471 175.510 -0.120 0.000 1.334 848 N CA 0.019 53.019 53.050 -0.084 0.000 1.063 848 N CB 0.066 38.569 38.487 0.026 0.000 1.386 848 N HN 0.725 nan 8.380 nan 0.000 0.552 849 A N 0.585 123.308 122.820 -0.161 0.000 2.169 849 A HA -0.043 4.277 4.320 0.000 0.000 0.212 849 A C 2.102 179.570 177.584 -0.193 0.000 1.153 849 A CA 0.088 52.046 52.037 -0.132 0.000 0.756 849 A CB -0.206 18.727 19.000 -0.110 0.000 0.813 849 A HN 0.564 nan 8.150 nan 0.000 0.471 850 M N -1.479 117.893 119.600 -0.380 0.000 2.254 850 M HA -0.012 4.468 4.480 0.000 0.000 0.265 850 M C 0.966 177.069 176.300 -0.329 0.000 1.066 850 M CA 1.669 56.703 55.300 -0.443 0.000 1.123 850 M CB -0.080 32.099 32.600 -0.703 0.000 1.388 850 M HN 0.376 nan 8.290 nan 0.000 0.425 851 F N -0.314 119.610 119.950 -0.042 0.000 2.569 851 F HA 0.064 4.591 4.527 0.000 0.000 0.295 851 F C 2.326 178.136 175.800 0.018 0.000 1.115 851 F CA 0.895 58.895 58.000 -0.000 0.000 1.450 851 F CB -1.415 37.528 39.000 -0.095 0.000 1.107 851 F HN 0.115 nan 8.300 nan 0.000 0.563 852 T N 0.016 114.645 114.554 0.125 0.000 2.788 852 T HA -0.206 4.144 4.350 0.000 0.000 0.268 852 T C 2.161 176.907 174.700 0.078 0.000 1.044 852 T CA 1.294 63.449 62.100 0.092 0.000 1.139 852 T CB -0.247 68.646 68.868 0.042 0.000 0.867 852 T HN 0.187 nan 8.240 nan 0.000 0.454 853 R N 1.289 121.821 120.500 0.054 0.000 2.091 853 R HA -0.123 4.217 4.340 0.000 0.000 0.238 853 R C 1.983 178.314 176.300 0.052 0.000 1.136 853 R CA 1.869 57.999 56.100 0.051 0.000 0.959 853 R CB -0.259 30.059 30.300 0.031 0.000 0.856 853 R HN 0.399 nan 8.270 nan 0.000 0.437 854 N N 0.069 118.819 118.700 0.084 0.000 2.244 854 N HA -0.131 4.609 4.740 0.000 0.000 0.183 854 N C 1.654 177.182 175.510 0.031 0.000 1.016 854 N CA 1.202 54.282 53.050 0.050 0.000 0.866 854 N CB 0.018 38.583 38.487 0.130 0.000 0.980 854 N HN 0.350 nan 8.380 nan 0.000 0.430 855 Q N 0.272 120.121 119.800 0.082 0.000 2.062 855 Q HA 0.096 4.436 4.340 0.000 0.000 0.196 855 Q C 1.793 177.792 176.000 -0.002 0.000 0.967 855 Q CA 0.804 56.640 55.803 0.054 0.000 0.832 855 Q CB 0.020 28.823 28.738 0.107 0.000 0.899 855 Q HN 0.320 nan 8.270 nan 0.000 0.442 856 R N 0.332 120.840 120.500 0.014 0.000 2.193 856 R HA -0.087 4.253 4.340 0.000 0.000 0.229 856 R C 2.099 178.366 176.300 -0.055 0.000 1.110 856 R CA 0.903 56.998 56.100 -0.008 0.000 0.988 856 R CB -0.229 30.093 30.300 0.036 0.000 0.871 856 R HN 0.186 nan 8.270 nan 0.000 0.458 857 A N 1.087 123.873 122.820 -0.057 0.000 1.840 857 A HA -0.106 4.214 4.320 0.000 0.000 0.214 857 A C 2.259 179.766 177.584 -0.129 0.000 1.198 857 A CA 1.474 53.449 52.037 -0.103 0.000 0.608 857 A CB -0.664 18.279 19.000 -0.095 0.000 0.839 857 A HN 0.214 nan 8.150 nan 0.000 0.443 858 V N -2.388 117.458 119.914 -0.113 0.000 3.186 858 V HA -0.086 4.034 4.120 0.000 0.000 0.270 858 V C 1.706 177.716 176.094 -0.140 0.000 1.149 858 V CA 1.320 63.554 62.300 -0.110 0.000 1.160 858 V CB -0.825 30.954 31.823 -0.072 0.000 0.758 858 V HN 0.416 nan 8.190 nan 0.000 0.516 859 I N 0.458 120.916 120.570 -0.186 0.000 3.265 859 I HA 0.008 4.178 4.170 0.000 0.000 0.282 859 I C 2.366 178.317 176.117 -0.276 0.000 1.207 859 I CA 1.155 62.281 61.300 -0.290 0.000 1.449 859 I CB -0.881 36.893 38.000 -0.378 0.000 1.121 859 I HN 0.291 nan 8.210 nan 0.000 0.442 860 T N 0.943 115.375 114.554 -0.203 0.000 2.904 860 T HA -0.110 4.240 4.350 0.000 0.000 0.267 860 T C 2.025 176.621 174.700 -0.172 0.000 1.059 860 T CA 0.874 62.863 62.100 -0.184 0.000 1.137 860 T CB -0.048 68.720 68.868 -0.167 0.000 0.879 860 T HN 0.180 nan 8.240 nan 0.000 0.467 861 R N 0.908 121.301 120.500 -0.177 0.000 2.189 861 R HA -0.036 4.304 4.340 0.000 0.000 0.218 861 R C 1.665 177.903 176.300 -0.103 0.000 1.074 861 R CA 0.963 56.970 56.100 -0.156 0.000 0.991 861 R CB 0.019 30.225 30.300 -0.158 0.000 0.883 861 R HN 0.306 nan 8.270 nan 0.000 0.457 862 E N 0.535 120.635 120.200 -0.165 0.000 2.033 862 E HA -0.021 4.329 4.350 0.000 0.000 0.189 862 E C 1.797 178.153 176.600 -0.407 0.000 0.979 862 E CA 1.213 57.519 56.400 -0.156 0.000 0.802 862 E CB -0.434 29.201 29.700 -0.108 0.000 0.763 862 E HN 0.324 nan 8.360 nan 0.000 0.449 863 A N 0.212 122.534 122.820 -0.831 0.000 2.178 863 A HA -0.135 4.185 4.320 0.000 0.000 0.218 863 A C 1.824 179.190 177.584 -0.363 0.000 1.157 863 A CA 0.875 52.220 52.037 -1.152 0.000 0.689 863 A CB -0.509 17.943 19.000 -0.914 0.000 0.787 863 A HN 0.232 nan 8.150 nan 0.000 0.465 864 F N -0.535 119.216 119.950 -0.332 0.000 2.298 864 F HA 0.063 4.590 4.527 0.000 0.000 0.282 864 F C 1.975 177.655 175.800 -0.199 0.000 1.045 864 F CA 1.144 59.010 58.000 -0.223 0.000 1.280 864 F CB -0.160 38.715 39.000 -0.208 0.000 1.114 864 F HN -0.055 nan 8.300 nan 0.000 0.546 865 V N -0.475 119.572 119.914 0.222 0.000 2.982 865 V HA -0.308 3.812 4.120 0.000 0.000 0.265 865 V C 2.187 178.179 176.094 -0.170 0.000 1.122 865 V CA 1.638 63.958 62.300 0.033 0.000 1.143 865 V CB -1.352 30.481 31.823 0.018 0.000 0.726 865 V HN 0.605 nan 8.190 nan 0.000 0.507 866 C N -0.865 118.420 119.300 -0.026 0.000 2.558 866 C HA 0.335 4.795 4.460 0.000 0.000 0.288 866 C C 2.881 177.909 174.990 0.062 0.000 1.338 866 C CA 0.308 59.406 59.018 0.134 0.000 1.760 866 C CB -0.494 27.494 27.740 0.413 0.000 2.159 866 C HN 0.616 nan 8.230 nan 0.000 0.518 867 A N 1.185 123.967 122.820 -0.063 0.000 1.840 867 A HA -0.162 4.158 4.320 0.000 0.000 0.214 867 A C 2.219 179.669 177.584 -0.223 0.000 1.198 867 A CA 1.595 53.563 52.037 -0.114 0.000 0.608 867 A CB -0.753 18.134 19.000 -0.188 0.000 0.839 867 A HN 0.576 nan 8.150 nan 0.000 0.443 868 R N -0.266 119.963 120.500 -0.452 0.000 2.133 868 R HA -0.186 4.154 4.340 0.000 0.000 0.247 868 R C 2.362 178.531 176.300 -0.219 0.000 1.151 868 R CA 2.146 57.956 56.100 -0.484 0.000 0.971 868 R CB -0.422 29.415 30.300 -0.773 0.000 0.866 868 R HN 0.486 nan 8.270 nan 0.000 0.447 869 S N -0.502 115.109 115.700 -0.148 0.000 2.345 869 S HA -0.067 4.403 4.470 0.000 0.000 0.220 869 S C 1.981 176.604 174.600 0.039 0.000 1.031 869 S CA 1.109 59.306 58.200 -0.004 0.000 0.996 869 S CB -0.248 62.941 63.200 -0.018 0.000 0.882 869 S HN 0.576 nan 8.310 nan 0.000 0.445 870 A N 1.002 123.838 122.820 0.027 0.000 1.972 870 A HA -0.037 4.283 4.320 0.000 0.000 0.219 870 A C 2.310 179.889 177.584 -0.010 0.000 1.169 870 A CA 1.878 53.929 52.037 0.022 0.000 0.635 870 A CB -0.916 18.103 19.000 0.032 0.000 0.810 870 A HN 0.912 nan 8.150 nan 0.000 0.446 871 V N -3.693 116.199 119.914 -0.037 0.000 3.052 871 V HA 0.318 4.438 4.120 0.000 0.000 0.254 871 V C 2.187 178.270 176.094 -0.019 0.000 1.100 871 V CA 1.294 63.569 62.300 -0.042 0.000 1.112 871 V CB -0.694 31.083 31.823 -0.077 0.000 0.738 871 V HN 0.438 nan 8.190 nan 0.000 0.469 872 A N -0.503 122.318 122.820 0.003 0.000 2.208 872 A HA 0.104 4.424 4.320 0.000 0.000 0.209 872 A C 2.084 179.699 177.584 0.051 0.000 1.161 872 A CA 0.994 53.065 52.037 0.057 0.000 0.782 872 A CB -0.293 18.800 19.000 0.155 0.000 0.816 872 A HN 0.631 nan 8.150 nan 0.000 0.477 873 Q N -1.944 117.874 119.800 0.030 0.000 2.396 873 Q HA 0.040 4.380 4.340 0.000 0.000 0.209 873 Q C 1.453 177.446 176.000 -0.012 0.000 0.906 873 Q CA 0.542 56.355 55.803 0.017 0.000 0.927 873 Q CB 0.159 28.909 28.738 0.020 0.000 1.069 873 Q HN 0.715 nan 8.270 nan 0.000 0.523 874 C N 0.994 120.281 119.300 -0.022 0.000 2.590 874 C HA 0.045 4.505 4.460 0.000 0.000 0.272 874 C C 0.931 175.904 174.990 -0.028 0.000 1.338 874 C CA -0.196 58.791 59.018 -0.052 0.000 1.746 874 C CB -0.438 27.258 27.740 -0.072 0.000 2.020 874 C HN 0.477 nan 8.230 nan 0.000 0.531 875 Q N 0.934 120.735 119.800 0.002 0.000 2.260 875 Q HA 0.239 4.579 4.340 0.000 0.000 0.242 875 Q C 0.345 176.357 176.000 0.021 0.000 0.932 875 Q CA -0.310 55.507 55.803 0.023 0.000 0.891 875 Q CB 1.034 29.789 28.738 0.029 0.000 1.222 875 Q HN 0.184 nan 8.270 nan 0.000 0.453 876 D N 1.052 121.469 120.400 0.028 0.000 2.091 876 D HA -0.052 4.588 4.640 0.000 0.000 0.199 876 D C 0.361 176.672 176.300 0.019 0.000 0.980 876 D CA 1.251 55.264 54.000 0.022 0.000 0.831 876 D CB 0.156 40.972 40.800 0.027 0.000 0.987 876 D HN 0.653 nan 8.370 nan 0.000 0.460 877 A N -0.980 121.854 122.820 0.023 0.000 2.336 877 A HA 0.622 4.942 4.320 0.000 0.000 0.291 877 A C 0.469 178.072 177.584 0.031 0.000 1.266 877 A CA 0.429 52.479 52.037 0.021 0.000 0.891 877 A CB 0.697 19.709 19.000 0.021 0.000 1.366 877 A HN 0.442 nan 8.150 nan 0.000 0.507 878 G N -2.404 106.419 108.800 0.039 0.000 2.674 878 G HA2 0.377 4.337 3.960 0.000 0.000 0.686 878 G HA3 0.377 4.337 3.960 0.000 0.000 0.686 878 G C -0.368 174.594 174.900 0.103 0.000 1.195 878 G CA -0.285 44.860 45.100 0.074 0.000 0.776 878 G HN 2.018 nan 8.290 nan 0.000 0.654 879 F N 0.773 120.715 119.950 -0.013 0.000 2.118 879 F HA -0.115 4.412 4.527 0.000 0.000 0.407 879 F C 1.310 177.106 175.800 -0.007 0.000 0.793 879 F CA 0.826 58.819 58.000 -0.012 0.000 1.036 879 F CB 0.339 39.326 39.000 -0.022 0.000 0.824 879 F HN 0.534 nan 8.300 nan 0.000 0.552 880 L N 7.618 128.363 121.223 -0.796 0.000 2.600 880 L HA 0.222 4.562 4.340 0.000 0.000 0.278 880 L C -0.415 176.184 176.870 -0.451 0.000 1.139 880 L CA -0.381 54.136 54.840 -0.539 0.000 0.933 880 L CB -0.494 41.282 42.059 -0.472 0.000 1.266 880 L HN 0.497 nan 8.230 nan 0.000 0.471 881 V N 2.336 122.172 119.914 -0.131 0.000 2.623 881 V HA 0.467 4.587 4.120 0.000 0.000 0.304 881 V C -2.491 173.628 176.094 0.042 0.000 1.054 881 V CA -2.654 59.664 62.300 0.030 0.000 0.882 881 V CB 1.403 33.320 31.823 0.158 0.000 1.002 881 V HN 0.414 nan 8.190 nan 0.000 0.424 882 P HA 0.107 nan 4.420 nan 0.000 0.257 882 P C -0.419 176.905 177.300 0.041 0.000 1.162 882 P CA 0.517 63.641 63.100 0.041 0.000 0.762 882 P CB 0.144 31.874 31.700 0.050 0.000 0.753 883 R N 5.580 126.091 120.500 0.019 0.000 2.666 883 R HA 0.204 4.544 4.340 0.000 0.000 0.275 883 R C -1.751 174.553 176.300 0.005 0.000 1.266 883 R CA -1.323 54.785 56.100 0.013 0.000 1.401 883 R CB 0.442 30.745 30.300 0.005 0.000 1.145 883 R HN 0.389 nan 8.270 nan 0.000 0.581 884 P HA -0.050 nan 4.420 nan 0.000 0.225 884 P C 0.330 177.631 177.300 0.001 0.000 1.156 884 P CA 0.791 63.892 63.100 0.002 0.000 0.787 884 P CB 0.434 32.134 31.700 0.001 0.000 0.802 885 L N -0.621 120.595 121.223 -0.012 0.000 3.034 885 L HA 0.194 4.534 4.340 0.000 0.000 0.245 885 L C 0.906 177.751 176.870 -0.042 0.000 1.295 885 L CA 0.132 54.953 54.840 -0.032 0.000 1.068 885 L CB -0.187 41.830 42.059 -0.071 0.000 1.426 885 L HN -0.127 nan 8.230 nan 0.000 0.531 886 D N 0.636 121.024 120.400 -0.020 0.000 2.317 886 D HA -0.047 4.593 4.640 0.000 0.000 0.211 886 D C 2.112 178.409 176.300 -0.005 0.000 0.966 886 D CA 0.905 54.897 54.000 -0.013 0.000 0.876 886 D CB 0.567 41.366 40.800 -0.001 0.000 0.927 886 D HN 0.374 nan 8.370 nan 0.000 0.519 887 A N 0.138 122.959 122.820 0.001 0.000 1.968 887 A HA 0.029 4.349 4.320 0.000 0.000 0.217 887 A C 0.826 178.431 177.584 0.034 0.000 1.169 887 A CA 0.287 52.358 52.037 0.057 0.000 0.638 887 A CB -0.288 18.787 19.000 0.124 0.000 0.812 887 A HN 0.158 nan 8.150 nan 0.000 0.446 888 L N 0.972 122.101 121.223 -0.155 0.000 2.513 888 L HA 0.080 4.420 4.340 0.000 0.000 0.272 888 L C 0.849 177.690 176.870 -0.047 0.000 1.187 888 L CA 0.204 54.909 54.840 -0.225 0.000 0.895 888 L CB -0.180 41.724 42.059 -0.259 0.000 1.147 888 L HN 0.473 nan 8.230 nan 0.000 0.483 889 R N 3.895 124.421 120.500 0.043 0.000 2.458 889 R HA 0.080 4.420 4.340 0.000 0.000 0.303 889 R C -0.356 175.936 176.300 -0.013 0.000 1.013 889 R CA 0.239 56.368 56.100 0.049 0.000 1.026 889 R CB 0.299 30.661 30.300 0.103 0.000 0.948 889 R HN 0.648 nan 8.270 nan 0.000 0.417 890 Q N 5.374 125.145 119.800 -0.049 0.000 2.296 890 Q HA 0.214 4.554 4.340 0.000 0.000 0.254 890 Q C -1.450 174.464 176.000 -0.143 0.000 0.936 890 Q CA -0.817 54.876 55.803 -0.183 0.000 0.834 890 Q CB 0.505 29.114 28.738 -0.215 0.000 1.340 890 Q HN 0.488 nan 8.270 nan 0.000 0.428 891 F N 0.402 120.365 119.950 0.023 0.000 2.586 891 F HA 0.390 4.917 4.527 0.000 0.000 0.335 891 F C 0.147 175.953 175.800 0.010 0.000 1.210 891 F CA -0.467 57.541 58.000 0.013 0.000 1.359 891 F CB 0.381 39.386 39.000 0.008 0.000 1.142 891 F HN 0.435 nan 8.300 nan 0.000 0.606 892 D N 1.561 122.196 120.400 0.392 0.000 2.401 892 D HA 0.115 4.755 4.640 0.000 0.000 0.254 892 D C -0.226 176.302 176.300 0.381 0.000 1.192 892 D CA 0.132 54.285 54.000 0.256 0.000 0.885 892 D CB 1.283 42.171 40.800 0.146 0.000 1.147 892 D HN 0.356 nan 8.370 nan 0.000 0.478 893 V N 3.707 123.764 119.914 0.237 0.000 2.470 893 V HA 0.032 4.152 4.120 0.000 0.000 0.276 893 V C 1.460 177.640 176.094 0.144 0.000 1.040 893 V CA -0.211 62.234 62.300 0.242 0.000 1.008 893 V CB 0.765 32.649 31.823 0.101 0.000 0.990 893 V HN 0.642 nan 8.190 nan 0.000 0.477 894 T N 2.034 116.666 114.554 0.129 0.000 2.801 894 T HA 0.072 4.422 4.350 0.000 0.000 0.324 894 T C 1.527 176.249 174.700 0.036 0.000 1.088 894 T CA 0.559 62.694 62.100 0.057 0.000 0.975 894 T CB 0.729 69.612 68.868 0.024 0.000 1.316 894 T HN 0.527 nan 8.240 nan 0.000 0.533 895 S N -0.464 115.245 115.700 0.015 0.000 2.371 895 S HA 0.053 4.523 4.470 0.000 0.000 0.224 895 S C 2.377 176.972 174.600 -0.009 0.000 1.029 895 S CA 1.024 59.222 58.200 -0.003 0.000 0.978 895 S CB -1.280 61.917 63.200 -0.005 0.000 0.833 895 S HN 0.864 nan 8.310 nan 0.000 0.466 896 A N 1.193 124.013 122.820 0.001 0.000 1.930 896 A HA 0.249 4.569 4.320 0.000 0.000 0.217 896 A C 2.370 179.960 177.584 0.010 0.000 1.175 896 A CA 1.722 53.759 52.037 -0.000 0.000 0.627 896 A CB -1.156 17.847 19.000 0.005 0.000 0.815 896 A HN 0.688 nan 8.150 nan 0.000 0.443 897 A N -0.041 122.805 122.820 0.042 0.000 1.898 897 A HA 0.214 4.534 4.320 0.000 0.000 0.216 897 A C 2.516 180.129 177.584 0.049 0.000 1.181 897 A CA 1.896 53.986 52.037 0.089 0.000 0.620 897 A CB -1.079 18.040 19.000 0.198 0.000 0.819 897 A HN 1.039 nan 8.150 nan 0.000 0.442 898 A N 0.214 123.046 122.820 0.021 0.000 1.892 898 A HA 0.025 4.345 4.320 0.000 0.000 0.218 898 A C 2.495 180.038 177.584 -0.068 0.000 1.188 898 A CA 2.486 54.511 52.037 -0.021 0.000 0.631 898 A CB -1.239 17.740 19.000 -0.036 0.000 0.822 898 A HN 1.282 nan 8.150 nan 0.000 0.447 899 A N -0.909 121.847 122.820 -0.106 0.000 2.093 899 A HA -0.239 4.081 4.320 0.000 0.000 0.222 899 A C 1.898 179.316 177.584 -0.277 0.000 1.162 899 A CA 2.045 53.946 52.037 -0.227 0.000 0.655 899 A CB -0.464 18.402 19.000 -0.224 0.000 0.805 899 A HN 0.714 nan 8.150 nan 0.000 0.461 900 E N -0.914 119.226 120.200 -0.101 0.000 2.166 900 E HA 0.094 4.444 4.350 0.000 0.000 0.192 900 E C 1.723 178.338 176.600 0.025 0.000 0.967 900 E CA 0.403 56.797 56.400 -0.009 0.000 0.840 900 E CB -0.063 29.668 29.700 0.051 0.000 0.795 900 E HN 0.685 nan 8.360 nan 0.000 0.470 901 I N 0.771 121.344 120.570 0.006 0.000 2.614 901 I HA -0.223 3.947 4.170 0.000 0.000 0.258 901 I C 2.304 178.427 176.117 0.011 0.000 1.189 901 I CA 0.574 61.879 61.300 0.008 0.000 1.462 901 I CB -0.006 37.987 38.000 -0.012 0.000 1.092 901 I HN 0.223 nan 8.210 nan 0.000 0.442 902 M N 0.118 119.705 119.600 -0.021 0.000 2.193 902 M HA -0.129 4.351 4.480 0.000 0.000 0.265 902 M C 2.130 178.482 176.300 0.087 0.000 1.071 902 M CA 1.979 57.267 55.300 -0.020 0.000 1.140 902 M CB -0.652 31.883 32.600 -0.108 0.000 1.369 902 M HN 0.148 nan 8.290 nan 0.000 0.423 903 H N -1.034 118.050 119.070 0.022 0.000 2.462 903 H HA 0.093 4.649 4.556 0.000 0.000 0.292 903 H C 1.831 177.183 175.328 0.041 0.000 1.049 903 H CA 0.682 56.751 56.048 0.034 0.000 1.334 903 H CB 0.201 29.983 29.762 0.034 0.000 1.404 903 H HN 0.536 nan 8.280 nan 0.000 0.544 904 A N 0.345 123.261 122.820 0.160 0.000 1.929 904 A HA -0.076 4.244 4.320 0.000 0.000 0.216 904 A C 2.482 180.117 177.584 0.084 0.000 1.176 904 A CA 0.907 53.000 52.037 0.093 0.000 0.628 904 A CB -0.468 18.568 19.000 0.060 0.000 0.816 904 A HN 0.181 nan 8.150 nan 0.000 0.444 905 V N 0.899 120.878 119.914 0.108 0.000 2.283 905 V HA -0.214 3.906 4.120 0.000 0.000 0.243 905 V C 2.475 178.728 176.094 0.264 0.000 1.039 905 V CA 2.249 64.642 62.300 0.155 0.000 1.016 905 V CB -0.950 30.969 31.823 0.161 0.000 0.650 905 V HN 0.814 nan 8.190 nan 0.000 0.449 906 N N 0.776 119.612 118.700 0.227 0.000 2.104 906 N HA -0.242 4.498 4.740 0.000 0.000 0.190 906 N C 1.549 177.187 175.510 0.212 0.000 1.024 906 N CA 2.099 55.289 53.050 0.234 0.000 0.853 906 N CB -0.384 38.204 38.487 0.169 0.000 1.008 906 N HN 0.466 nan 8.380 nan 0.000 0.424 907 D N -0.863 119.622 120.400 0.141 0.000 2.269 907 D HA 0.059 4.699 4.640 0.000 0.000 0.208 907 D C 1.712 178.056 176.300 0.073 0.000 0.963 907 D CA 1.032 55.082 54.000 0.083 0.000 0.864 907 D CB -0.260 40.562 40.800 0.036 0.000 0.936 907 D HN 0.447 nan 8.370 nan 0.000 0.505 908 A N -0.644 122.216 122.820 0.066 0.000 1.897 908 A HA -0.035 4.285 4.320 0.000 0.000 0.215 908 A C 2.015 179.569 177.584 -0.049 0.000 1.181 908 A CA 0.671 52.688 52.037 -0.034 0.000 0.620 908 A CB -0.984 17.951 19.000 -0.108 0.000 0.821 908 A HN 0.248 nan 8.150 nan 0.000 0.443 909 F N 0.498 120.500 119.950 0.087 0.000 2.069 909 F HA -0.163 4.364 4.527 0.000 0.000 0.298 909 F C 2.349 178.269 175.800 0.199 0.000 1.113 909 F CA 2.094 60.205 58.000 0.185 0.000 1.214 909 F CB -0.291 38.833 39.000 0.206 0.000 0.978 909 F HN 0.111 nan 8.300 nan 0.000 0.474 910 K N -0.558 120.037 120.400 0.325 0.000 2.044 910 K HA -0.197 4.123 4.320 0.000 0.000 0.210 910 K C 1.953 178.633 176.600 0.133 0.000 1.049 910 K CA 2.165 58.583 56.287 0.217 0.000 0.927 910 K CB -0.680 31.903 32.500 0.138 0.000 0.713 910 K HN 0.222 nan 8.250 nan 0.000 0.443 911 T N 0.776 115.366 114.554 0.060 0.000 2.788 911 T HA -0.155 4.195 4.350 0.000 0.000 0.268 911 T C 1.926 176.584 174.700 -0.070 0.000 1.044 911 T CA 1.368 63.463 62.100 -0.009 0.000 1.139 911 T CB -0.230 68.614 68.868 -0.039 0.000 0.867 911 T HN 0.354 nan 8.240 nan 0.000 0.454 912 A N 0.781 123.516 122.820 -0.141 0.000 1.898 912 A HA 0.110 4.430 4.320 0.000 0.000 0.216 912 A C 1.442 178.749 177.584 -0.461 0.000 1.181 912 A CA 1.057 52.861 52.037 -0.388 0.000 0.620 912 A CB -0.564 18.061 19.000 -0.625 0.000 0.819 912 A HN 0.522 nan 8.150 nan 0.000 0.442 913 F N 1.058 121.037 119.950 0.048 0.000 2.647 913 F HA 0.150 4.677 4.527 0.000 0.000 0.300 913 F C 0.162 175.998 175.800 0.059 0.000 1.106 913 F CA -0.600 57.441 58.000 0.069 0.000 1.313 913 F CB 0.096 39.170 39.000 0.123 0.000 1.007 913 F HN 0.378 nan 8.300 nan 0.000 0.536 914 D N 1.065 121.556 120.400 0.152 0.000 3.061 914 D HA -0.242 4.398 4.640 0.000 0.000 0.203 914 D C -0.488 175.886 176.300 0.124 0.000 1.245 914 D CA 0.341 54.405 54.000 0.106 0.000 0.812 914 D CB -0.771 40.067 40.800 0.063 0.000 0.857 914 D HN 0.094 nan 8.370 nan 0.000 0.387 915 L N 1.312 122.615 121.223 0.133 0.000 2.400 915 L HA 0.549 4.889 4.340 0.000 0.000 0.264 915 L C 0.492 177.407 176.870 0.076 0.000 1.061 915 L CA -0.381 54.525 54.840 0.111 0.000 0.799 915 L CB 1.206 43.339 42.059 0.123 0.000 1.240 915 L HN 0.131 nan 8.230 nan 0.000 0.461 916 D N 0.150 120.588 120.400 0.064 0.000 2.391 916 D HA 0.595 5.235 4.640 0.000 0.000 0.245 916 D C -0.109 176.217 176.300 0.045 0.000 1.069 916 D CA 0.539 54.567 54.000 0.046 0.000 0.831 916 D CB 1.517 42.339 40.800 0.036 0.000 1.204 916 D HN 0.786 nan 8.370 nan 0.000 0.503 917 G N 1.702 110.524 108.800 0.037 0.000 2.801 917 G HA2 0.170 4.130 3.960 0.000 0.000 0.686 917 G HA3 0.170 4.130 3.960 0.000 0.000 0.686 917 G C 1.067 175.998 174.900 0.052 0.000 1.507 917 G CA -0.127 44.995 45.100 0.036 0.000 0.980 917 G HN 1.076 nan 8.290 nan 0.000 0.589 918 A N 1.905 124.756 122.820 0.052 0.000 2.042 918 A HA -0.182 4.138 4.320 0.000 0.000 0.322 918 A C 2.329 179.954 177.584 0.068 0.000 4.743 918 A CA 4.307 56.383 52.037 0.066 0.000 1.021 918 A CB -1.291 17.757 19.000 0.080 0.000 0.497 918 A HN 3.023 nan 8.150 nan 0.000 0.441 919 L N -5.243 116.022 121.223 0.070 0.000 4.984 919 L HA -0.322 4.018 4.340 0.000 0.000 0.053 919 L C 1.302 178.191 176.870 0.032 0.000 3.554 919 L CA 2.145 57.012 54.840 0.046 0.000 1.191 919 L CB -1.237 40.856 42.059 0.055 0.000 3.199 919 L HN 1.031 nan 8.230 nan 0.000 1.006 920 L N 0.461 121.708 121.223 0.041 0.000 2.766 920 L HA 0.193 4.533 4.340 0.000 0.000 0.242 920 L C 1.418 178.325 176.870 0.061 0.000 1.136 920 L CA 1.238 56.099 54.840 0.036 0.000 0.933 920 L CB 0.085 42.150 42.059 0.009 0.000 1.241 920 L HN 0.671 nan 8.230 nan 0.000 0.522 921 D N -1.638 118.817 120.400 0.092 0.000 2.350 921 D HA -0.101 4.540 4.640 0.000 0.000 0.216 921 D C 2.073 178.457 176.300 0.140 0.000 0.968 921 D CA 0.913 55.001 54.000 0.146 0.000 0.894 921 D CB -0.523 40.347 40.800 0.117 0.000 0.909 921 D HN 0.231 nan 8.370 nan 0.000 0.520 922 G N 0.519 109.383 108.800 0.107 0.000 2.442 922 G HA2 -0.235 3.725 3.960 0.000 0.000 0.219 922 G HA3 -0.235 3.725 3.960 0.000 0.000 0.219 922 G C 1.434 176.337 174.900 0.005 0.000 1.141 922 G CA 0.737 45.917 45.100 0.134 0.000 0.763 922 G HN 0.263 nan 8.290 nan 0.000 0.554 923 L N 0.787 121.979 121.223 -0.052 0.000 2.141 923 L HA 0.195 4.535 4.340 0.000 0.000 0.209 923 L C 2.572 179.327 176.870 -0.190 0.000 1.094 923 L CA 1.463 56.204 54.840 -0.165 0.000 0.763 923 L CB -0.217 41.761 42.059 -0.135 0.000 0.908 923 L HN 0.238 nan 8.230 nan 0.000 0.437 924 A N -1.434 121.335 122.820 -0.086 0.000 2.833 924 A HA 0.471 4.791 4.320 0.000 0.000 0.293 924 A C 1.084 178.631 177.584 -0.061 0.000 1.338 924 A CA -0.057 51.884 52.037 -0.159 0.000 0.959 924 A CB -0.455 18.371 19.000 -0.289 0.000 1.094 924 A HN 0.325 nan 8.150 nan 0.000 0.569 925 L N -1.012 120.237 121.223 0.044 0.000 3.217 925 L HA 0.343 4.683 4.340 0.000 0.000 0.288 925 L C -0.486 176.588 176.870 0.341 0.000 1.202 925 L CA -0.251 54.724 54.840 0.226 0.000 1.027 925 L CB 0.382 42.639 42.059 0.330 0.000 1.427 925 L HN 0.658 nan 8.230 nan 0.000 0.600 926 Y N -3.666 116.643 120.300 0.016 0.000 2.823 926 Y HA 0.495 5.045 4.550 0.000 0.000 0.377 926 Y C -0.005 175.900 175.900 0.008 0.000 1.158 926 Y CA -0.784 57.325 58.100 0.015 0.000 1.269 926 Y CB -0.280 38.197 38.460 0.029 0.000 1.444 926 Y HN 0.028 nan 8.280 nan 0.000 0.497 927 G N 1.420 110.240 108.800 0.033 0.000 2.645 927 G HA2 -0.088 3.872 3.960 0.000 0.000 0.239 927 G HA3 -0.088 3.872 3.960 0.000 0.000 0.239 927 G C -1.507 173.335 174.900 -0.098 0.000 1.331 927 G CA -0.001 45.063 45.100 -0.059 0.000 0.890 927 G HN 0.969 nan 8.290 nan 0.000 0.572 928 D N 1.451 121.792 120.400 -0.099 0.000 2.280 928 D HA 0.455 5.095 4.640 0.000 0.000 0.243 928 D C -1.428 174.794 176.300 -0.130 0.000 1.129 928 D CA -1.321 52.627 54.000 -0.087 0.000 0.848 928 D CB 1.491 42.259 40.800 -0.052 0.000 1.107 928 D HN 0.058 nan 8.370 nan 0.000 0.471 929 P HA -0.012 nan 4.420 nan 0.000 0.226 929 P C 0.179 177.391 177.300 -0.146 0.000 1.153 929 P CA 0.565 63.572 63.100 -0.155 0.000 0.777 929 P CB 0.375 31.988 31.700 -0.146 0.000 0.794 930 R N 1.179 121.615 120.500 -0.107 0.000 2.878 930 R HA 0.184 4.524 4.340 0.000 0.000 0.239 930 R C 0.469 176.704 176.300 -0.108 0.000 1.515 930 R CA -0.226 55.820 56.100 -0.091 0.000 1.210 930 R CB -0.868 29.406 30.300 -0.043 0.000 1.209 930 R HN 0.310 nan 8.270 nan 0.000 0.610 931 I N -1.806 118.656 120.570 -0.180 0.000 2.499 931 I HA 0.500 4.670 4.170 0.000 0.000 0.296 931 I C 0.538 176.502 176.117 -0.254 0.000 0.992 931 I CA -0.395 60.785 61.300 -0.200 0.000 1.297 931 I CB 1.810 39.642 38.000 -0.279 0.000 1.410 931 I HN 0.258 nan 8.210 nan 0.000 0.507 932 A N 3.889 126.594 122.820 -0.192 0.000 2.265 932 A HA 0.271 4.591 4.320 0.000 0.000 0.226 932 A C -0.126 177.181 177.584 -0.461 0.000 1.937 932 A CA 0.550 52.412 52.037 -0.292 0.000 0.771 932 A CB -0.305 18.737 19.000 0.070 0.000 1.421 932 A HN 0.815 nan 8.150 nan 0.000 0.570 933 D N -0.737 119.600 120.400 -0.104 0.000 2.620 933 D HA 0.506 5.146 4.640 0.000 0.000 0.252 933 D C -1.192 175.160 176.300 0.087 0.000 1.207 933 D CA -0.408 53.592 54.000 0.001 0.000 0.884 933 D CB 0.780 41.619 40.800 0.065 0.000 1.262 933 D HN 0.090 nan 8.370 nan 0.000 0.552 934 L N 2.742 124.031 121.223 0.110 0.000 2.483 934 L HA 0.368 4.708 4.340 0.000 0.000 0.276 934 L C 0.157 177.054 176.870 0.045 0.000 1.213 934 L CA 0.711 55.590 54.840 0.066 0.000 0.843 934 L CB 0.781 42.851 42.059 0.018 0.000 1.107 934 L HN 0.599 nan 8.230 nan 0.000 0.487 935 S N 1.668 117.392 115.700 0.039 0.000 2.543 935 S HA 0.865 5.335 4.470 0.000 0.000 0.273 935 S C -0.987 173.629 174.600 0.026 0.000 1.152 935 S CA -0.609 57.593 58.200 0.004 0.000 0.910 935 S CB 1.353 64.517 63.200 -0.060 0.000 1.105 935 S HN 0.845 nan 8.310 nan 0.000 0.465 936 A N 1.700 124.567 122.820 0.079 0.000 2.330 936 A HA 1.004 5.324 4.320 0.000 0.000 0.327 936 A C -0.012 177.771 177.584 0.332 0.000 1.155 936 A CA -0.470 51.706 52.037 0.233 0.000 0.803 936 A CB 1.070 20.235 19.000 0.276 0.000 1.208 936 A HN 2.085 nan 8.150 nan 0.000 0.477 937 A N 1.440 124.392 122.820 0.220 0.000 2.520 937 A HA 0.731 5.051 4.320 0.000 0.000 0.298 937 A C -1.039 176.466 177.584 -0.132 0.000 1.051 937 A CA -0.539 51.440 52.037 -0.096 0.000 0.690 937 A CB 0.817 19.719 19.000 -0.163 0.000 1.281 937 A HN 1.704 nan 8.150 nan 0.000 0.402 938 Y N 0.238 120.272 120.300 -0.444 0.000 2.429 938 Y HA 0.809 5.359 4.550 0.000 0.000 0.342 938 Y C -1.192 174.531 175.900 -0.295 0.000 1.004 938 Y CA -1.438 56.438 58.100 -0.373 0.000 1.075 938 Y CB 1.061 39.163 38.460 -0.597 0.000 1.214 938 Y HN 0.383 nan 8.280 nan 0.000 0.455 939 L N 4.065 125.324 121.223 0.060 0.000 2.296 939 L HA 0.432 4.772 4.340 0.000 0.000 0.286 939 L C -0.460 176.443 176.870 0.055 0.000 1.023 939 L CA -0.707 54.145 54.840 0.020 0.000 0.812 939 L CB 1.583 43.644 42.059 0.003 0.000 1.223 939 L HN 0.669 nan 8.230 nan 0.000 0.421 940 Q N 1.182 121.005 119.800 0.038 0.000 2.243 940 Q HA 0.138 4.478 4.340 0.000 0.000 0.252 940 Q C 0.257 176.240 176.000 -0.028 0.000 0.909 940 Q CA -0.614 55.184 55.803 -0.008 0.000 0.922 940 Q CB 1.305 30.040 28.738 -0.005 0.000 1.215 940 Q HN 0.572 nan 8.270 nan 0.000 0.427 941 Y N 2.496 122.703 120.300 -0.154 0.000 2.271 941 Y HA -0.223 4.327 4.550 0.000 0.000 0.284 941 Y C 1.664 177.487 175.900 -0.128 0.000 1.189 941 Y CA 2.022 60.021 58.100 -0.168 0.000 1.229 941 Y CB -0.117 38.172 38.460 -0.285 0.000 0.973 941 Y HN 0.828 nan 8.280 nan 0.000 0.537 942 G N -0.333 108.349 108.800 -0.197 0.000 3.186 942 G HA2 0.205 4.165 3.960 0.000 0.000 0.214 942 G HA3 0.205 4.165 3.960 0.000 0.000 0.214 942 G C 1.036 175.797 174.900 -0.232 0.000 1.222 942 G CA 0.217 45.174 45.100 -0.239 0.000 0.921 942 G HN 0.933 nan 8.290 nan 0.000 0.504 943 G N -0.270 108.374 108.800 -0.261 0.000 2.350 943 G HA2 -0.275 3.685 3.960 0.000 0.000 0.298 943 G HA3 -0.275 3.685 3.960 0.000 0.000 0.298 943 G C -0.117 174.709 174.900 -0.124 0.000 1.037 943 G CA 0.430 45.421 45.100 -0.181 0.000 1.074 943 G HN 0.883 nan 8.290 nan 0.000 0.511 944 N N -1.247 117.390 118.700 -0.106 0.000 2.336 944 N HA 0.523 5.263 4.740 0.000 0.000 0.290 944 N C -0.860 174.580 175.510 -0.116 0.000 1.058 944 N CA -0.411 52.578 53.050 -0.101 0.000 0.865 944 N CB 2.387 40.818 38.487 -0.093 0.000 1.581 944 N HN 0.519 nan 8.380 nan 0.000 0.480 945 V N 5.502 125.330 119.914 -0.143 0.000 2.304 945 V HA 0.498 4.618 4.120 0.000 0.000 0.278 945 V C -0.512 175.399 176.094 -0.305 0.000 1.018 945 V CA -0.610 61.568 62.300 -0.204 0.000 0.814 945 V CB 0.812 32.552 31.823 -0.139 0.000 1.021 945 V HN 0.566 nan 8.190 nan 0.000 0.440 946 V N 5.246 124.833 119.914 -0.546 0.000 2.488 946 V HA 0.646 4.766 4.120 0.000 0.000 0.277 946 V C -0.029 175.718 176.094 -0.578 0.000 1.046 946 V CA -0.436 61.503 62.300 -0.601 0.000 0.986 946 V CB 1.123 32.406 31.823 -0.901 0.000 0.989 946 V HN 0.979 nan 8.190 nan 0.000 0.475 947 R N 3.857 124.148 120.500 -0.348 0.000 2.412 947 R HA 0.362 4.702 4.340 0.000 0.000 0.304 947 R C -0.672 175.471 176.300 -0.261 0.000 1.066 947 R CA -0.441 55.478 56.100 -0.302 0.000 0.923 947 R CB 1.147 31.255 30.300 -0.319 0.000 1.156 947 R HN 0.855 nan 8.270 nan 0.000 0.513 948 E N 4.094 124.261 120.200 -0.055 0.000 2.104 948 E HA 0.050 4.400 4.350 0.000 0.000 0.278 948 E C -0.458 176.093 176.600 -0.083 0.000 1.127 948 E CA 0.009 56.421 56.400 0.020 0.000 0.897 948 E CB 0.400 30.220 29.700 0.200 0.000 1.043 948 E HN 0.470 nan 8.360 nan 0.000 0.410 949 H N 1.207 120.297 119.070 0.034 0.000 2.582 949 H HA 0.170 4.726 4.556 0.000 0.000 0.345 949 H C -0.170 175.149 175.328 -0.014 0.000 1.104 949 H CA -0.141 55.914 56.048 0.012 0.000 1.390 949 H CB 1.758 31.526 29.762 0.009 0.000 1.461 949 H HN 0.148 nan 8.280 nan 0.000 0.551 950 V N 6.609 126.568 119.914 0.074 0.000 2.465 950 V HA 0.224 4.345 4.120 0.000 0.000 0.263 950 V C -2.527 173.507 176.094 -0.100 0.000 0.981 950 V CA -1.649 60.631 62.300 -0.034 0.000 0.838 950 V CB 1.394 33.160 31.823 -0.095 0.000 1.068 950 V HN 0.582 nan 8.190 nan 0.000 0.458 951 P HA 0.360 nan 4.420 nan 0.000 0.287 951 P C -2.703 174.523 177.300 -0.124 0.000 1.294 951 P CA -1.688 61.370 63.100 -0.072 0.000 0.776 951 P CB 0.985 32.686 31.700 0.002 0.000 0.889 952 P HA 0.035 nan 4.420 nan 0.000 0.265 952 P C 0.686 177.933 177.300 -0.088 0.000 1.222 952 P CA 0.440 63.416 63.100 -0.206 0.000 0.767 952 P CB 0.161 31.684 31.700 -0.295 0.000 0.801 953 G N 5.204 113.956 108.800 -0.080 0.000 2.340 953 G HA2 0.142 4.102 3.960 0.000 0.000 0.245 953 G HA3 0.142 4.102 3.960 0.000 0.000 0.245 953 G C -2.149 172.718 174.900 -0.055 0.000 1.294 953 G CA -0.822 44.249 45.100 -0.048 0.000 0.896 953 G HN 0.415 nan 8.290 nan 0.000 0.522 954 P HA -0.161 nan 4.420 nan 0.000 0.233 954 P C 0.212 177.426 177.300 -0.144 0.000 1.040 954 P CA 0.804 63.863 63.100 -0.067 0.000 0.831 954 P CB 0.139 31.782 31.700 -0.095 0.000 0.734 955 S N 3.757 119.445 115.700 -0.020 0.000 2.405 955 S HA 0.058 4.528 4.470 0.000 0.000 0.291 955 S C 1.474 176.121 174.600 0.078 0.000 1.137 955 S CA -0.469 57.750 58.200 0.032 0.000 1.061 955 S CB -0.192 63.086 63.200 0.129 0.000 1.001 955 S HN 0.351 nan 8.310 nan 0.000 0.507 956 H N 5.060 124.222 119.070 0.153 0.000 2.321 956 H HA -0.134 4.422 4.556 0.000 0.000 0.295 956 H C 1.823 177.271 175.328 0.201 0.000 1.102 956 H CA 2.327 58.469 56.048 0.157 0.000 1.266 956 H CB -0.144 29.700 29.762 0.135 0.000 1.363 956 H HN 0.654 nan 8.280 nan 0.000 0.492 957 I N 0.110 120.901 120.570 0.367 0.000 2.163 957 I HA -0.327 3.843 4.170 0.000 0.000 0.243 957 I C 2.685 178.991 176.117 0.315 0.000 1.085 957 I CA 1.807 63.322 61.300 0.358 0.000 1.347 957 I CB -0.430 37.840 38.000 0.450 0.000 1.044 957 I HN 0.251 nan 8.210 nan 0.000 0.408 958 H N 1.050 120.257 119.070 0.228 0.000 2.387 958 H HA -0.134 4.422 4.556 0.000 0.000 0.299 958 H C 2.357 177.785 175.328 0.167 0.000 1.090 958 H CA 1.623 57.784 56.048 0.189 0.000 1.332 958 H CB -0.058 29.796 29.762 0.154 0.000 1.386 958 H HN 0.064 nan 8.280 nan 0.000 0.516 959 R N -0.298 120.239 120.500 0.061 0.000 2.096 959 R HA -0.120 4.220 4.340 0.000 0.000 0.235 959 R C 2.347 178.689 176.300 0.071 0.000 1.127 959 R CA 1.134 57.248 56.100 0.024 0.000 0.968 959 R CB -0.310 30.066 30.300 0.125 0.000 0.861 959 R HN 0.454 nan 8.270 nan 0.000 0.440 960 A N 0.875 123.795 122.820 0.166 0.000 1.855 960 A HA -0.161 4.159 4.320 0.000 0.000 0.215 960 A C 2.010 179.682 177.584 0.147 0.000 1.191 960 A CA 1.077 53.272 52.037 0.263 0.000 0.613 960 A CB -0.663 18.502 19.000 0.276 0.000 0.829 960 A HN 0.340 nan 8.150 nan 0.000 0.442 961 L N -0.360 120.916 121.223 0.087 0.000 2.021 961 L HA -0.273 4.067 4.340 0.000 0.000 0.215 961 L C 2.474 179.329 176.870 -0.025 0.000 1.074 961 L CA 2.803 57.674 54.840 0.053 0.000 0.760 961 L CB -0.732 41.371 42.059 0.072 0.000 0.889 961 L HN 0.489 nan 8.230 nan 0.000 0.433 962 Q N -0.826 118.885 119.800 -0.149 0.000 2.061 962 Q HA -0.288 4.052 4.340 0.000 0.000 0.204 962 Q C 2.319 178.287 176.000 -0.053 0.000 0.984 962 Q CA 2.142 57.867 55.803 -0.130 0.000 0.846 962 Q CB -0.390 28.227 28.738 -0.202 0.000 0.902 962 Q HN 0.640 nan 8.270 nan 0.000 0.421 963 Q N -0.764 119.013 119.800 -0.039 0.000 2.181 963 Q HA -0.107 4.233 4.340 0.000 0.000 0.205 963 Q C 1.719 177.680 176.000 -0.064 0.000 0.980 963 Q CA 1.665 57.418 55.803 -0.083 0.000 0.862 963 Q CB -0.216 28.397 28.738 -0.209 0.000 0.905 963 Q HN 0.328 nan 8.270 nan 0.000 0.429 964 V N 0.412 120.330 119.914 0.006 0.000 2.379 964 V HA -0.184 3.936 4.120 0.000 0.000 0.245 964 V C 2.017 178.117 176.094 0.011 0.000 1.044 964 V CA 2.033 64.367 62.300 0.057 0.000 1.036 964 V CB -0.513 31.408 31.823 0.163 0.000 0.664 964 V HN 0.411 nan 8.190 nan 0.000 0.453 965 E N 0.214 120.408 120.200 -0.010 0.000 2.110 965 E HA -0.219 4.131 4.350 0.000 0.000 0.193 965 E C 2.380 178.992 176.600 0.020 0.000 0.988 965 E CA 1.532 57.920 56.400 -0.019 0.000 0.804 965 E CB -0.274 29.406 29.700 -0.034 0.000 0.745 965 E HN 0.538 nan 8.360 nan 0.000 0.458 966 S N 0.035 115.732 115.700 -0.004 0.000 2.382 966 S HA -0.161 4.309 4.470 0.000 0.000 0.228 966 S C 2.026 176.615 174.600 -0.018 0.000 1.027 966 S CA 1.759 59.953 58.200 -0.011 0.000 0.991 966 S CB -0.263 62.922 63.200 -0.026 0.000 0.823 966 S HN 0.197 nan 8.310 nan 0.000 0.469 967 T N 1.140 115.682 114.554 -0.020 0.000 2.812 967 T HA 0.031 4.381 4.350 0.000 0.000 0.264 967 T C 1.279 175.947 174.700 -0.052 0.000 1.042 967 T CA 1.124 63.204 62.100 -0.034 0.000 1.140 967 T CB -0.555 68.305 68.868 -0.014 0.000 0.870 967 T HN 0.532 nan 8.240 nan 0.000 0.445 968 F N 1.669 121.499 119.950 -0.201 0.000 2.287 968 F HA -0.160 4.367 4.527 0.000 0.000 0.301 968 F C 1.896 177.578 175.800 -0.197 0.000 1.069 968 F CA 0.980 58.789 58.000 -0.319 0.000 1.372 968 F CB -0.329 38.408 39.000 -0.438 0.000 1.056 968 F HN 0.024 nan 8.300 nan 0.000 0.523 969 M N 0.264 119.760 119.600 -0.172 0.000 2.081 969 M HA 0.006 4.486 4.480 0.000 0.000 0.261 969 M C 2.540 178.715 176.300 -0.209 0.000 1.075 969 M CA 1.663 56.847 55.300 -0.192 0.000 1.133 969 M CB -1.963 30.604 32.600 -0.055 0.000 1.330 969 M HN 0.204 nan 8.290 nan 0.000 0.414 970 A N -0.505 122.231 122.820 -0.140 0.000 2.216 970 A HA -0.054 4.266 4.320 0.000 0.000 0.214 970 A C 1.196 178.702 177.584 -0.130 0.000 1.160 970 A CA 1.141 53.110 52.037 -0.114 0.000 0.725 970 A CB -0.246 18.706 19.000 -0.079 0.000 0.784 970 A HN 0.484 nan 8.150 nan 0.000 0.472 971 E N -0.937 119.156 120.200 -0.179 0.000 3.191 971 E HA 0.106 4.457 4.350 0.000 0.000 0.192 971 E C 1.080 177.611 176.600 -0.115 0.000 0.972 971 E CA 0.083 56.417 56.400 -0.110 0.000 1.266 971 E CB -0.265 29.408 29.700 -0.044 0.000 1.076 971 E HN 0.862 nan 8.360 nan 0.000 0.462 972 M N -1.238 118.115 119.600 -0.412 0.000 2.346 972 M HA -0.080 4.400 4.480 0.000 0.000 0.263 972 M C 0.975 177.247 176.300 -0.047 0.000 1.064 972 M CA 1.243 56.183 55.300 -0.599 0.000 1.083 972 M CB -0.618 31.422 32.600 -0.933 0.000 1.399 972 M HN -0.140 nan 8.290 nan 0.000 0.435 973 N N 1.710 120.430 118.700 0.033 0.000 2.223 973 N HA -0.060 4.680 4.740 0.000 0.000 0.185 973 N C 1.381 176.998 175.510 0.179 0.000 1.016 973 N CA 1.094 54.248 53.050 0.173 0.000 0.863 973 N CB -0.489 38.095 38.487 0.162 0.000 0.983 973 N HN 0.283 nan 8.380 nan 0.000 0.429 974 L N -0.674 120.662 121.223 0.190 0.000 2.633 974 L HA 0.031 4.371 4.340 0.000 0.000 0.235 974 L C 0.355 177.161 176.870 -0.107 0.000 1.163 974 L CA 1.017 55.920 54.840 0.105 0.000 0.859 974 L CB -0.577 41.593 42.059 0.185 0.000 0.973 974 L HN 0.073 nan 8.230 nan 0.000 0.451 975 F N -1.666 118.322 119.950 0.063 0.000 2.735 975 F HA 0.212 4.739 4.527 0.000 0.000 0.308 975 F C 1.092 176.910 175.800 0.030 0.000 1.112 975 F CA -0.506 57.553 58.000 0.099 0.000 1.235 975 F CB -0.299 38.881 39.000 0.300 0.000 1.027 975 F HN 0.015 nan 8.300 nan 0.000 0.528 976 N N -1.534 117.164 118.700 -0.003 0.000 2.924 976 N HA -0.196 4.544 4.740 0.000 0.000 0.210 976 N C 0.021 175.167 175.510 -0.608 0.000 0.902 976 N CA 1.043 53.825 53.050 -0.447 0.000 1.061 976 N CB -1.059 37.209 38.487 -0.366 0.000 0.985 976 N HN 0.027 nan 8.380 nan 0.000 0.600 977 V N 0.789 120.580 119.914 -0.205 0.000 2.763 977 V HA 0.455 4.575 4.120 0.000 0.000 0.306 977 V C 0.804 176.845 176.094 -0.087 0.000 1.059 977 V CA 0.649 62.811 62.300 -0.230 0.000 1.138 977 V CB 1.100 32.846 31.823 -0.128 0.000 0.940 977 V HN 0.383 nan 8.190 nan 0.000 0.489 978 A N 5.568 128.278 122.820 -0.183 0.000 2.371 978 A HA 0.782 5.102 4.320 0.000 0.000 0.311 978 A C -0.196 177.078 177.584 -0.517 0.000 1.068 978 A CA -0.964 50.974 52.037 -0.165 0.000 0.744 978 A CB 1.175 20.273 19.000 0.164 0.000 1.239 978 A HN 0.950 nan 8.150 nan 0.000 0.435 979 R N 1.508 121.821 120.500 -0.311 0.000 2.500 979 R HA 0.725 5.065 4.340 0.000 0.000 0.275 979 R C 0.359 176.474 176.300 -0.308 0.000 1.051 979 R CA 0.333 56.174 56.100 -0.432 0.000 1.088 979 R CB 0.799 30.927 30.300 -0.288 0.000 1.063 979 R HN 2.302 nan 8.270 nan 0.000 0.511 980 G N 1.232 109.848 108.800 -0.307 0.000 2.712 980 G HA2 -0.221 3.739 3.960 0.000 0.000 0.686 980 G HA3 -0.221 3.739 3.960 0.000 0.000 0.686 980 G C -1.254 173.671 174.900 0.042 0.000 1.321 980 G CA -0.642 44.391 45.100 -0.111 0.000 0.813 980 G HN 0.749 nan 8.290 nan 0.000 0.599 981 N N -1.070 117.634 118.700 0.006 0.000 2.415 981 N HA 0.443 5.183 4.740 0.000 0.000 0.248 981 N C 0.474 175.972 175.510 -0.020 0.000 1.271 981 N CA -0.107 52.930 53.050 -0.021 0.000 0.913 981 N CB 0.946 39.315 38.487 -0.195 0.000 1.129 981 N HN 0.798 nan 8.380 nan 0.000 0.444 982 L N 2.057 123.238 121.223 -0.070 0.000 2.287 982 L HA 0.411 4.751 4.340 0.000 0.000 0.287 982 L C -1.157 175.561 176.870 -0.252 0.000 1.022 982 L CA -0.739 54.054 54.840 -0.079 0.000 0.814 982 L CB 0.293 42.299 42.059 -0.089 0.000 1.217 982 L HN 0.450 nan 8.230 nan 0.000 0.420 983 Y N 4.767 124.856 120.300 -0.351 0.000 2.301 983 Y HA 0.287 4.837 4.550 0.000 0.000 0.325 983 Y C 0.672 176.392 175.900 -0.301 0.000 1.203 983 Y CA -0.106 57.720 58.100 -0.457 0.000 1.255 983 Y CB 1.559 39.388 38.460 -1.053 0.000 1.232 983 Y HN 0.542 nan 8.280 nan 0.000 0.501 984 L N 3.398 124.738 121.223 0.196 0.000 3.122 984 L HA 0.204 4.544 4.340 0.000 0.000 0.274 984 L C -0.475 176.680 176.870 0.474 0.000 1.222 984 L CA -0.355 54.702 54.840 0.362 0.000 1.028 984 L CB 0.434 42.762 42.059 0.449 0.000 1.386 984 L HN 0.468 nan 8.230 nan 0.000 0.578 985 V N -0.793 119.402 119.914 0.468 0.000 2.599 985 V HA 0.029 4.149 4.120 0.000 0.000 0.300 985 V C 0.367 176.748 176.094 0.478 0.000 1.034 985 V CA -0.266 62.325 62.300 0.485 0.000 1.115 985 V CB 0.789 32.928 31.823 0.526 0.000 0.934 985 V HN 0.374 nan 8.190 nan 0.000 0.485 986 Q N 4.097 124.123 119.800 0.376 0.000 2.313 986 Q HA 0.259 4.599 4.340 0.000 0.000 0.266 986 Q C -0.301 175.727 176.000 0.047 0.000 0.989 986 Q CA 0.207 56.149 55.803 0.232 0.000 0.890 986 Q CB 1.192 30.113 28.738 0.305 0.000 1.200 986 Q HN 1.072 nan 8.270 nan 0.000 0.396 987 T N 2.213 116.672 114.554 -0.159 0.000 2.906 987 T HA 0.586 4.936 4.350 0.000 0.000 0.302 987 T C -0.099 174.393 174.700 -0.347 0.000 1.002 987 T CA -0.011 61.978 62.100 -0.186 0.000 0.988 987 T CB 0.797 69.558 68.868 -0.179 0.000 0.972 987 T HN 0.585 nan 8.240 nan 0.000 0.447 988 A N 4.004 126.680 122.820 -0.239 0.000 2.302 988 A HA 0.340 4.660 4.320 0.000 0.000 0.219 988 A C 1.316 178.771 177.584 -0.215 0.000 1.243 988 A CA -0.066 51.819 52.037 -0.252 0.000 0.856 988 A CB -0.560 18.342 19.000 -0.162 0.000 0.893 988 A HN 0.809 nan 8.150 nan 0.000 0.491 989 T N 0.501 114.939 114.554 -0.194 0.000 2.939 989 T HA -0.029 4.321 4.350 0.000 0.000 0.319 989 T C 1.042 175.680 174.700 -0.103 0.000 1.082 989 T CA 0.660 62.694 62.100 -0.108 0.000 1.133 989 T CB 0.038 68.878 68.868 -0.046 0.000 1.019 989 T HN 0.524 nan 8.240 nan 0.000 0.548 990 N N 2.541 121.218 118.700 -0.038 0.000 2.204 990 N HA 0.160 4.900 4.740 0.000 0.000 0.219 990 N C 1.028 176.581 175.510 0.072 0.000 1.151 990 N CA 0.186 53.228 53.050 -0.014 0.000 0.867 990 N CB 0.069 38.534 38.487 -0.038 0.000 1.043 990 N HN 0.669 nan 8.380 nan 0.000 0.516 991 G N 0.649 109.520 108.800 0.119 0.000 3.142 991 G HA2 0.055 4.015 3.960 0.000 0.000 0.178 991 G HA3 0.055 4.015 3.960 0.000 0.000 0.178 991 G C -0.009 175.127 174.900 0.394 0.000 1.941 991 G CA -0.078 45.148 45.100 0.210 0.000 0.902 991 G HN 0.262 nan 8.290 nan 0.000 0.517 992 N N -0.795 118.096 118.700 0.319 0.000 2.361 992 N HA 0.338 5.078 4.740 0.000 0.000 0.302 992 N C -1.777 173.944 175.510 0.352 0.000 1.074 992 N CA -0.499 52.715 53.050 0.273 0.000 0.850 992 N CB 2.222 40.764 38.487 0.093 0.000 1.228 992 N HN 0.505 nan 8.380 nan 0.000 0.491 993 W N 0.934 122.201 121.300 -0.055 0.000 3.033 993 W HA 0.405 5.065 4.660 0.000 0.000 0.336 993 W C -0.811 175.587 176.519 -0.202 0.000 1.173 993 W CA -0.693 56.562 57.345 -0.151 0.000 1.185 993 W CB 1.858 31.168 29.460 -0.251 0.000 1.425 993 W HN 0.397 nan 8.180 nan 0.000 0.536 994 S N 4.583 119.791 115.700 -0.821 0.000 2.891 994 S HA 0.189 4.659 4.470 0.000 0.000 0.141 994 S C -2.075 171.960 174.600 -0.941 0.000 0.993 994 S CA -0.665 57.129 58.200 -0.677 0.000 1.051 994 S CB 0.512 63.453 63.200 -0.431 0.000 1.657 994 S HN 0.238 nan 8.310 nan 0.000 0.482 995 P HA -0.228 nan 4.420 nan 0.000 0.218 995 P C 1.809 178.571 177.300 -0.897 0.000 1.154 995 P CA 1.456 63.949 63.100 -1.012 0.000 0.872 995 P CB 0.058 31.271 31.700 -0.812 0.000 0.790 996 M N -0.762 118.397 119.600 -0.734 0.000 2.661 996 M HA -0.126 4.354 4.480 0.000 0.000 0.273 996 M C 1.188 177.244 176.300 -0.407 0.000 1.068 996 M CA 1.797 56.766 55.300 -0.552 0.000 1.079 996 M CB -1.925 30.437 32.600 -0.397 0.000 1.223 996 M HN -0.134 nan 8.290 nan 0.000 0.495 997 A N 2.875 125.492 122.820 -0.338 0.000 2.880 997 A HA 0.413 4.733 4.320 0.000 0.000 0.328 997 A C -2.158 175.243 177.584 -0.305 0.000 1.440 997 A CA -1.381 50.497 52.037 -0.264 0.000 1.068 997 A CB -0.769 18.110 19.000 -0.201 0.000 1.163 997 A HN 0.241 nan 8.150 nan 0.000 0.510 998 P HA 0.123 nan 4.420 nan 0.000 0.276 998 P C 0.872 178.005 177.300 -0.278 0.000 1.243 998 P CA -0.018 62.838 63.100 -0.407 0.000 0.768 998 P CB 1.523 32.935 31.700 -0.479 0.000 0.856 999 V N 3.275 123.036 119.914 -0.255 0.000 2.379 999 V HA -0.111 4.009 4.120 0.000 0.000 0.245 999 V C 1.617 177.618 176.094 -0.154 0.000 1.044 999 V CA 1.720 63.916 62.300 -0.174 0.000 1.036 999 V CB -1.205 30.532 31.823 -0.144 0.000 0.664 999 V HN 0.681 nan 8.190 nan 0.000 0.453 1000 A N 0.427 123.137 122.820 -0.182 0.000 2.492 1000 A HA 0.503 4.823 4.320 0.000 0.000 0.236 1000 A C 0.653 178.151 177.584 -0.143 0.000 1.078 1000 A CA 0.370 52.318 52.037 -0.149 0.000 0.773 1000 A CB -0.135 18.766 19.000 -0.166 0.000 1.023 1000 A HN 0.653 nan 8.150 nan 0.000 0.504 1001 A N 1.563 124.326 122.820 -0.096 0.000 2.425 1001 A HA 0.562 4.882 4.320 0.000 0.000 0.249 1001 A C -0.426 177.099 177.584 -0.099 0.000 1.084 1001 A CA -0.130 51.863 52.037 -0.074 0.000 0.781 1001 A CB -1.000 17.978 19.000 -0.037 0.000 1.019 1001 A HN 1.626 nan 8.150 nan 0.000 0.490 1002 P HA 0.317 nan 4.420 nan 0.000 0.259 1002 P C -0.807 176.350 177.300 -0.240 0.000 1.155 1002 P CA 0.200 63.166 63.100 -0.223 0.000 0.759 1002 P CB -0.446 31.226 31.700 -0.047 0.000 0.753 1003 P HA -0.005 nan 4.420 nan 0.000 0.219 1003 P C 0.216 177.714 177.300 0.330 0.000 1.153 1003 P CA 2.229 65.330 63.100 0.001 0.000 0.865 1003 P CB -0.880 30.924 31.700 0.172 0.000 0.788 1004 F N -6.241 113.781 119.950 0.120 0.000 2.656 1004 F HA 0.480 5.007 4.527 0.000 0.000 0.317 1004 F C -1.084 174.870 175.800 0.258 0.000 1.016 1004 F CA -1.899 56.208 58.000 0.177 0.000 1.097 1004 F CB -0.250 38.851 39.000 0.169 0.000 1.360 1004 F HN -0.026 nan 8.300 nan 0.000 0.593 1005 V N 5.144 125.138 119.914 0.134 0.000 3.139 1005 V HA 0.236 4.356 4.120 0.000 0.000 0.307 1005 V C 1.712 177.865 176.094 0.098 0.000 1.095 1005 V CA 0.677 63.018 62.300 0.068 0.000 1.160 1005 V CB 1.340 33.209 31.823 0.077 0.000 1.003 1005 V HN 1.062 nan 8.190 nan 0.000 0.489 1006 R N 3.407 123.931 120.500 0.039 0.000 2.082 1006 R HA -0.061 4.279 4.340 0.000 0.000 0.234 1006 R C 1.654 178.021 176.300 0.112 0.000 1.136 1006 R CA 2.184 58.332 56.100 0.080 0.000 0.935 1006 R CB -0.906 29.414 30.300 0.033 0.000 0.842 1006 R HN 0.888 nan 8.270 nan 0.000 0.430 1007 G N -0.208 108.638 108.800 0.077 0.000 3.124 1007 G HA2 0.163 4.123 3.960 0.000 0.000 0.212 1007 G HA3 0.163 4.123 3.960 0.000 0.000 0.212 1007 G C 0.430 175.373 174.900 0.071 0.000 1.181 1007 G CA 0.134 45.273 45.100 0.064 0.000 0.803 1007 G HN 0.516 nan 8.290 nan 0.000 0.529 1008 G N 0.680 109.545 108.800 0.109 0.000 2.631 1008 G HA2 0.419 4.379 3.960 0.000 0.000 0.271 1008 G HA3 0.419 4.379 3.960 0.000 0.000 0.271 1008 G C -2.001 172.947 174.900 0.080 0.000 1.302 1008 G CA -0.781 44.384 45.100 0.109 0.000 1.002 1008 G HN 0.144 nan 8.290 nan 0.000 0.519 1009 P HA 0.117 nan 4.420 nan 0.000 0.276 1009 P C 0.092 177.391 177.300 -0.002 0.000 1.243 1009 P CA 0.103 63.219 63.100 0.026 0.000 0.768 1009 P CB 0.818 32.534 31.700 0.027 0.000 0.856 1010 N N -1.010 117.667 118.700 -0.039 0.000 2.951 1010 N HA -0.178 4.562 4.740 0.000 0.000 0.213 1010 N C 0.314 175.722 175.510 -0.169 0.000 0.877 1010 N CA 0.700 53.692 53.050 -0.096 0.000 1.042 1010 N CB -0.948 37.483 38.487 -0.094 0.000 1.005 1010 N HN 0.433 nan 8.380 nan 0.000 0.604 1011 V N 1.661 121.506 119.914 -0.115 0.000 2.572 1011 V HA 0.440 4.560 4.120 0.000 0.000 0.291 1011 V C 0.082 176.063 176.094 -0.188 0.000 1.039 1011 V CA 0.014 62.223 62.300 -0.152 0.000 1.055 1011 V CB 0.991 32.899 31.823 0.142 0.000 0.969 1011 V HN 0.107 nan 8.190 nan 0.000 0.482 1012 R N 4.649 124.906 120.500 -0.405 0.000 2.494 1012 R HA 0.671 5.011 4.340 0.000 0.000 0.305 1012 R C -0.873 175.330 176.300 -0.162 0.000 0.959 1012 R CA -0.667 55.188 56.100 -0.408 0.000 0.864 1012 R CB 1.756 31.555 30.300 -0.836 0.000 1.159 1012 R HN 0.601 nan 8.270 nan 0.000 0.446 1013 V N 3.392 123.320 119.914 0.022 0.000 2.555 1013 V HA 0.090 4.210 4.120 0.000 0.000 0.286 1013 V C 0.220 176.464 176.094 0.250 0.000 1.044 1013 V CA -0.582 61.803 62.300 0.141 0.000 1.026 1013 V CB 1.560 33.432 31.823 0.082 0.000 0.981 1013 V HN 0.601 nan 8.190 nan 0.000 0.480 1014 V N 6.422 126.497 119.914 0.268 0.000 2.508 1014 V HA 0.553 4.673 4.120 0.000 0.000 0.281 1014 V C 0.973 177.057 176.094 -0.016 0.000 1.041 1014 V CA 0.188 62.563 62.300 0.125 0.000 1.016 1014 V CB 0.728 32.278 31.823 -0.456 0.000 0.984 1014 V HN 1.000 nan 8.190 nan 0.000 0.478 1015 G N 5.493 114.317 108.800 0.040 0.000 2.594 1015 G HA2 0.299 4.259 3.960 0.000 0.000 0.243 1015 G HA3 0.299 4.259 3.960 0.000 0.000 0.243 1015 G C 0.041 174.914 174.900 -0.045 0.000 1.229 1015 G CA -0.524 44.586 45.100 0.016 0.000 0.843 1015 G HN 1.067 nan 8.290 nan 0.000 0.578 1016 R N 0.071 120.503 120.500 -0.113 0.000 2.655 1016 R HA -0.017 4.324 4.340 0.000 0.000 0.266 1016 R C 0.623 176.782 176.300 -0.235 0.000 0.981 1016 R CA 1.154 57.038 56.100 -0.359 0.000 1.098 1016 R CB -0.552 29.353 30.300 -0.659 0.000 0.928 1016 R HN 0.762 nan 8.270 nan 0.000 0.425 1017 F N -0.612 119.321 119.950 -0.028 0.000 2.582 1017 F HA -0.307 4.220 4.527 0.000 0.000 0.606 1017 F C 1.390 177.176 175.800 -0.023 0.000 0.501 1017 F CA 1.181 59.168 58.000 -0.022 0.000 0.880 1017 F CB -1.957 37.031 39.000 -0.021 0.000 1.700 1017 F HN 0.883 nan 8.300 nan 0.000 0.259 1018 G N 1.712 110.572 108.800 0.099 0.000 2.352 1018 G HA2 -0.130 3.830 3.960 0.000 0.000 0.283 1018 G HA3 -0.130 3.830 3.960 0.000 0.000 0.283 1018 G C -0.138 174.797 174.900 0.058 0.000 0.946 1018 G CA 0.632 45.735 45.100 0.005 0.000 1.317 1018 G HN 0.596 nan 8.290 nan 0.000 0.478 1019 T N 2.944 117.527 114.554 0.048 0.000 2.733 1019 T HA 0.447 4.797 4.350 0.000 0.000 0.294 1019 T C 1.075 175.738 174.700 -0.062 0.000 0.956 1019 T CA -0.589 61.516 62.100 0.009 0.000 0.987 1019 T CB 1.092 69.960 68.868 0.001 0.000 0.920 1019 T HN 0.297 nan 8.240 nan 0.000 0.470 1020 I N 4.426 124.934 120.570 -0.104 0.000 2.588 1020 I HA 0.109 4.279 4.170 0.000 0.000 0.283 1020 I C 0.643 176.636 176.117 -0.206 0.000 1.119 1020 I CA -0.212 60.956 61.300 -0.219 0.000 1.419 1020 I CB 0.920 38.666 38.000 -0.425 0.000 1.394 1020 I HN 0.396 nan 8.210 nan 0.000 0.562 1021 V N 6.097 125.899 119.914 -0.187 0.000 2.304 1021 V HA 0.497 4.617 4.120 0.000 0.000 0.278 1021 V C -2.542 173.462 176.094 -0.149 0.000 1.018 1021 V CA -2.212 60.007 62.300 -0.135 0.000 0.814 1021 V CB 0.844 32.621 31.823 -0.076 0.000 1.021 1021 V HN 0.509 nan 8.190 nan 0.000 0.440 1022 P HA 0.256 nan 4.420 nan 0.000 0.266 1022 P C -0.521 176.738 177.300 -0.068 0.000 1.195 1022 P CA 0.151 63.177 63.100 -0.124 0.000 0.768 1022 P CB 0.404 32.053 31.700 -0.085 0.000 0.838 1023 R N 3.413 123.886 120.500 -0.045 0.000 2.409 1023 R HA 0.397 4.737 4.340 0.000 0.000 0.313 1023 R C -2.406 173.887 176.300 -0.012 0.000 0.953 1023 R CA -2.033 54.052 56.100 -0.025 0.000 0.849 1023 R CB 0.982 31.271 30.300 -0.019 0.000 1.171 1023 R HN 0.371 nan 8.270 nan 0.000 0.458 1024 P HA -0.041 nan 4.420 nan 0.000 0.267 1024 P C -0.366 176.934 177.300 -0.001 0.000 1.201 1024 P CA 0.319 63.417 63.100 -0.004 0.000 0.775 1024 P CB 0.475 32.172 31.700 -0.005 0.000 0.854 1025 N N 0.406 119.107 118.700 0.002 0.000 5.833 1025 N HA -0.192 4.548 4.740 0.000 0.000 0.357 1025 N C 1.320 176.833 175.510 0.005 0.000 0.922 1025 N CA 1.773 54.825 53.050 0.003 0.000 1.099 1025 N CB -1.509 36.980 38.487 0.002 0.000 0.862 1025 N HN 0.454 nan 8.380 nan 0.000 0.427 1026 G N -0.910 107.894 108.800 0.006 0.000 2.476 1026 G HA2 -0.119 3.841 3.960 0.000 0.000 0.218 1026 G HA3 -0.119 3.841 3.960 0.000 0.000 0.218 1026 G C 0.381 175.287 174.900 0.009 0.000 1.164 1026 G CA 1.440 46.544 45.100 0.007 0.000 0.768 1026 G HN 0.642 nan 8.290 nan 0.000 0.560 1027 L N 1.723 122.951 121.223 0.008 0.000 2.667 1027 L HA 0.125 4.465 4.340 0.000 0.000 0.296 1027 L C 0.493 177.369 176.870 0.011 0.000 1.252 1027 L CA 0.049 54.895 54.840 0.009 0.000 0.891 1027 L CB -0.018 42.044 42.059 0.006 0.000 1.141 1027 L HN 0.468 nan 8.230 nan 0.000 0.501 1028 E N 4.027 124.237 120.200 0.016 0.000 2.343 1028 E HA 0.449 4.799 4.350 0.000 0.000 0.269 1028 E C -2.516 174.088 176.600 0.006 0.000 1.047 1028 E CA -2.400 54.013 56.400 0.020 0.000 0.874 1028 E CB -0.284 29.433 29.700 0.030 0.000 1.033 1028 E HN 0.289 nan 8.360 nan 0.000 0.409 1029 P HA -0.029 nan 4.420 nan 0.000 0.264 1029 P C -1.054 176.206 177.300 -0.067 0.000 1.193 1029 P CA 0.257 63.310 63.100 -0.079 0.000 0.763 1029 P CB 0.280 31.898 31.700 -0.137 0.000 0.810 1030 Q N 2.489 122.241 119.800 -0.080 0.000 2.365 1030 Q HA 0.576 4.917 4.340 0.000 0.000 0.269 1030 Q C -1.127 174.820 176.000 -0.087 0.000 1.061 1030 Q CA -1.293 54.489 55.803 -0.034 0.000 0.816 1030 Q CB 1.299 30.055 28.738 0.030 0.000 1.325 1030 Q HN 0.145 nan 8.270 nan 0.000 0.446 1031 L N 2.366 123.519 121.223 -0.117 0.000 2.452 1031 L HA 0.322 4.662 4.340 0.000 0.000 0.267 1031 L C -0.683 176.124 176.870 -0.105 0.000 1.188 1031 L CA -0.322 54.368 54.840 -0.250 0.000 0.821 1031 L CB 0.860 42.493 42.059 -0.709 0.000 1.102 1031 L HN 0.819 nan 8.230 nan 0.000 0.470 1032 I N 3.683 124.196 120.570 -0.095 0.000 2.396 1032 I HA 0.152 4.322 4.170 0.000 0.000 0.289 1032 I C 0.011 176.185 176.117 0.094 0.000 1.056 1032 I CA 0.003 61.313 61.300 0.017 0.000 1.365 1032 I CB 0.352 38.363 38.000 0.018 0.000 1.407 1032 I HN 0.722 nan 8.210 nan 0.000 0.509 1033 D N 4.238 124.760 120.400 0.204 0.000 2.368 1033 D HA -0.040 4.600 4.640 0.000 0.000 0.240 1033 D C 0.874 177.277 176.300 0.172 0.000 1.169 1033 D CA 0.320 54.494 54.000 0.291 0.000 0.906 1033 D CB 0.928 41.863 40.800 0.225 0.000 1.187 1033 D HN 0.670 nan 8.370 nan 0.000 0.435 1034 D N 0.824 121.320 120.400 0.161 0.000 2.183 1034 D HA -0.018 4.622 4.640 0.000 0.000 0.203 1034 D C 1.847 178.189 176.300 0.069 0.000 0.969 1034 D CA 1.331 55.385 54.000 0.090 0.000 0.842 1034 D CB -0.324 40.520 40.800 0.073 0.000 0.957 1034 D HN 0.442 nan 8.370 nan 0.000 0.484 1035 G N -0.622 108.219 108.800 0.068 0.000 2.708 1035 G HA2 -0.198 3.762 3.960 0.000 0.000 0.210 1035 G HA3 -0.198 3.762 3.960 0.000 0.000 0.210 1035 G C 0.935 175.867 174.900 0.054 0.000 1.141 1035 G CA 0.713 45.843 45.100 0.049 0.000 0.788 1035 G HN 0.434 nan 8.290 nan 0.000 0.531 1036 N N -2.305 116.437 118.700 0.071 0.000 2.951 1036 N HA -0.238 4.502 4.740 0.000 0.000 0.213 1036 N C 0.404 175.952 175.510 0.063 0.000 0.877 1036 N CA 1.193 54.285 53.050 0.070 0.000 1.042 1036 N CB -1.338 37.184 38.487 0.057 0.000 1.005 1036 N HN 0.499 nan 8.380 nan 0.000 0.604 1037 V N 2.393 122.344 119.914 0.063 0.000 2.385 1037 V HA 0.512 4.632 4.120 0.000 0.000 0.269 1037 V C -2.073 174.071 176.094 0.083 0.000 1.043 1037 V CA -1.630 60.704 62.300 0.057 0.000 0.906 1037 V CB 0.816 32.665 31.823 0.044 0.000 0.995 1037 V HN 0.152 nan 8.190 nan 0.000 0.467 1038 P HA 0.084 nan 4.420 nan 0.000 0.261 1038 P C -0.730 176.648 177.300 0.129 0.000 1.183 1038 P CA 0.346 63.504 63.100 0.097 0.000 0.761 1038 P CB 0.421 32.150 31.700 0.048 0.000 0.785 1039 R N 2.389 123.030 120.500 0.234 0.000 2.893 1039 R HA 0.416 4.756 4.340 0.000 0.000 0.245 1039 R C 0.344 176.825 176.300 0.302 0.000 1.192 1039 R CA -0.719 55.536 56.100 0.257 0.000 1.077 1039 R CB 0.687 31.166 30.300 0.299 0.000 1.253 1039 R HN 0.540 nan 8.270 nan 0.000 0.505 1040 D N -0.139 120.429 120.400 0.279 0.000 2.217 1040 D HA 0.192 4.832 4.640 0.000 0.000 0.248 1040 D C 1.201 177.748 176.300 0.412 0.000 1.008 1040 D CA -0.581 53.566 54.000 0.244 0.000 0.914 1040 D CB 1.487 42.371 40.800 0.140 0.000 1.182 1040 D HN 0.316 nan 8.370 nan 0.000 0.451 1041 I N 0.560 121.291 120.570 0.267 0.000 2.142 1041 I HA -0.191 3.979 4.170 0.000 0.000 0.240 1041 I C 1.569 177.917 176.117 0.385 0.000 1.078 1041 I CA 0.899 62.379 61.300 0.300 0.000 1.343 1041 I CB -0.517 37.530 38.000 0.078 0.000 1.046 1041 I HN 0.460 nan 8.210 nan 0.000 0.405 1042 A N 1.290 124.236 122.820 0.210 0.000 2.573 1042 A HA 0.380 4.700 4.320 0.000 0.000 0.250 1042 A C 0.744 178.420 177.584 0.153 0.000 1.049 1042 A CA 1.069 53.196 52.037 0.150 0.000 0.767 1042 A CB -0.809 18.242 19.000 0.085 0.000 0.965 1042 A HN 0.706 nan 8.150 nan 0.000 0.514 1043 G N 1.819 110.694 108.800 0.125 0.000 2.295 1043 G HA2 0.409 4.369 3.960 0.000 0.000 0.155 1043 G HA3 0.409 4.369 3.960 0.000 0.000 0.155 1043 G C -1.504 173.389 174.900 -0.011 0.000 1.307 1043 G CA 0.108 45.214 45.100 0.009 0.000 1.140 1043 G HN 1.610 nan 8.290 nan 0.000 0.470 1044 D N -0.732 119.542 120.400 -0.210 0.000 2.763 1044 D HA 0.517 5.157 4.640 0.000 0.000 0.235 1044 D C -1.432 174.690 176.300 -0.297 0.000 1.334 1044 D CA -0.436 53.408 54.000 -0.261 0.000 0.950 1044 D CB 0.603 40.930 40.800 -0.790 0.000 1.433 1044 D HN 0.491 nan 8.370 nan 0.000 0.580 1045 W N 1.343 122.720 121.300 0.129 0.000 2.509 1045 W HA 0.621 5.281 4.660 0.000 0.000 0.351 1045 W C -0.178 176.612 176.519 0.452 0.000 1.107 1045 W CA -1.005 56.506 57.345 0.278 0.000 1.264 1045 W CB 1.683 31.353 29.460 0.350 0.000 1.312 1045 W HN 0.120 nan 8.180 nan 0.000 0.608 1046 V N 2.833 123.091 119.914 0.574 0.000 2.326 1046 V HA 0.163 4.283 4.120 0.000 0.000 0.281 1046 V C -1.217 175.084 176.094 0.345 0.000 1.015 1046 V CA -1.034 61.520 62.300 0.422 0.000 0.823 1046 V CB -0.075 31.912 31.823 0.274 0.000 1.009 1046 V HN 0.341 nan 8.190 nan 0.000 0.436 1047 Y N 7.435 127.857 120.300 0.204 0.000 2.595 1047 Y HA 0.317 4.867 4.550 0.000 0.000 0.347 1047 Y C -1.806 174.118 175.900 0.040 0.000 1.025 1047 Y CA -2.669 55.503 58.100 0.119 0.000 1.295 1047 Y CB 1.161 39.663 38.460 0.070 0.000 1.147 1047 Y HN 0.455 nan 8.280 nan 0.000 0.515 1048 P HA -0.080 nan 4.420 nan 0.000 0.266 1048 P C 0.869 178.210 177.300 0.069 0.000 1.215 1048 P CA 0.473 63.611 63.100 0.063 0.000 0.763 1048 P CB 1.789 33.498 31.700 0.015 0.000 0.806 1049 S N 3.344 119.083 115.700 0.065 0.000 2.421 1049 S HA -0.250 4.220 4.470 0.000 0.000 0.239 1049 S C 1.047 175.646 174.600 -0.001 0.000 1.054 1049 S CA 2.298 60.517 58.200 0.033 0.000 1.035 1049 S CB -0.706 62.522 63.200 0.047 0.000 0.840 1049 S HN 0.439 nan 8.310 nan 0.000 0.475 1050 D N 0.322 120.721 120.400 -0.001 0.000 2.097 1050 D HA -0.077 4.563 4.640 0.000 0.000 0.195 1050 D C 2.005 178.277 176.300 -0.046 0.000 0.989 1050 D CA 1.342 55.324 54.000 -0.029 0.000 0.827 1050 D CB -0.439 40.340 40.800 -0.036 0.000 0.966 1050 D HN 0.344 nan 8.370 nan 0.000 0.456 1051 V N 0.618 120.510 119.914 -0.038 0.000 2.307 1051 V HA -0.169 3.951 4.120 0.000 0.000 0.245 1051 V C 2.312 178.437 176.094 0.051 0.000 1.045 1051 V CA 1.053 63.330 62.300 -0.039 0.000 1.024 1051 V CB -0.537 31.227 31.823 -0.098 0.000 0.651 1051 V HN 0.161 nan 8.190 nan 0.000 0.449 1052 L N 0.240 121.543 121.223 0.132 0.000 2.081 1052 L HA -0.254 4.086 4.340 0.000 0.000 0.212 1052 L C 2.321 179.125 176.870 -0.111 0.000 1.080 1052 L CA 1.999 56.865 54.840 0.043 0.000 0.754 1052 L CB -0.646 41.325 42.059 -0.146 0.000 0.893 1052 L HN 0.376 nan 8.230 nan 0.000 0.433 1053 Q N -1.021 118.717 119.800 -0.103 0.000 2.435 1053 Q HA 0.035 4.375 4.340 0.000 0.000 0.207 1053 Q C 1.013 176.968 176.000 -0.076 0.000 0.956 1053 Q CA 0.983 56.708 55.803 -0.130 0.000 0.917 1053 Q CB 0.166 28.830 28.738 -0.123 0.000 0.997 1053 Q HN 0.604 nan 8.270 nan 0.000 0.497 1054 V N -2.305 117.591 119.914 -0.030 0.000 2.894 1054 V HA 0.377 4.497 4.120 0.000 0.000 0.373 1054 V C 0.120 176.245 176.094 0.051 0.000 1.286 1054 V CA 0.201 62.504 62.300 0.005 0.000 1.331 1054 V CB 0.044 31.873 31.823 0.011 0.000 1.415 1054 V HN 0.221 nan 8.190 nan 0.000 0.585 1055 S N -2.837 112.889 115.700 0.043 0.000 4.264 1055 S HA 0.022 4.492 4.470 0.000 0.000 0.079 1055 S C 0.378 175.042 174.600 0.106 0.000 0.855 1055 S CA 0.449 58.705 58.200 0.092 0.000 0.881 1055 S CB -0.885 62.403 63.200 0.146 0.000 0.809 1055 S HN 0.293 nan 8.310 nan 0.000 0.753 1056 V N 1.817 121.741 119.914 0.017 0.000 2.332 1056 V HA -0.178 3.942 4.120 0.000 0.000 0.248 1056 V C 3.183 179.329 176.094 0.086 0.000 1.055 1056 V CA 2.596 64.895 62.300 -0.001 0.000 1.038 1056 V CB -1.408 30.328 31.823 -0.145 0.000 0.651 1056 V HN 0.844 nan 8.190 nan 0.000 0.450 1057 A N -0.263 122.587 122.820 0.049 0.000 1.892 1057 A HA -0.212 4.108 4.320 0.000 0.000 0.218 1057 A C 2.382 180.030 177.584 0.107 0.000 1.188 1057 A CA 2.415 54.484 52.037 0.053 0.000 0.631 1057 A CB -0.790 18.233 19.000 0.038 0.000 0.822 1057 A HN 0.359 nan 8.150 nan 0.000 0.447 1058 V N -1.455 118.556 119.914 0.161 0.000 2.548 1058 V HA -0.173 3.947 4.120 0.000 0.000 0.249 1058 V C 2.192 178.451 176.094 0.275 0.000 1.055 1058 V CA 1.825 64.273 62.300 0.247 0.000 1.065 1058 V CB -0.838 31.106 31.823 0.202 0.000 0.681 1058 V HN 0.630 nan 8.190 nan 0.000 0.462 1059 F N 1.524 121.530 119.950 0.094 0.000 2.084 1059 F HA -0.150 4.377 4.527 0.000 0.000 0.296 1059 F C 2.597 178.441 175.800 0.073 0.000 1.111 1059 F CA 2.154 60.186 58.000 0.054 0.000 1.224 1059 F CB -0.314 38.641 39.000 -0.075 0.000 0.991 1059 F HN -0.056 nan 8.300 nan 0.000 0.471 1060 R N 0.077 120.644 120.500 0.112 0.000 2.193 1060 R HA -0.135 4.205 4.340 0.000 0.000 0.229 1060 R C 0.558 176.855 176.300 -0.005 0.000 1.110 1060 R CA 1.789 57.913 56.100 0.041 0.000 0.988 1060 R CB -0.396 29.917 30.300 0.020 0.000 0.871 1060 R HN 0.300 nan 8.270 nan 0.000 0.458 1061 D N -1.395 118.947 120.400 -0.097 0.000 2.402 1061 D HA 0.047 4.687 4.640 0.000 0.000 0.216 1061 D C -0.103 175.773 176.300 -0.707 0.000 1.128 1061 D CA 0.286 54.079 54.000 -0.346 0.000 0.833 1061 D CB 0.591 41.149 40.800 -0.405 0.000 0.971 1061 D HN 0.255 nan 8.370 nan 0.000 0.503 1062 Y N -1.297 118.945 120.300 -0.096 0.000 2.840 1062 Y HA 0.011 4.561 4.550 0.000 0.000 0.252 1062 Y C 1.617 177.414 175.900 -0.171 0.000 1.150 1062 Y CA -0.128 57.906 58.100 -0.110 0.000 1.193 1062 Y CB 0.296 38.707 38.460 -0.081 0.000 1.386 1062 Y HN -0.092 nan 8.280 nan 0.000 0.483 1063 V N 0.592 120.431 119.914 -0.125 0.000 2.685 1063 V HA -0.087 4.033 4.120 0.000 0.000 0.244 1063 V C 1.786 177.652 176.094 -0.380 0.000 1.054 1063 V CA 1.437 63.582 62.300 -0.259 0.000 1.076 1063 V CB -0.126 31.514 31.823 -0.306 0.000 0.725 1063 V HN 0.661 nan 8.190 nan 0.000 0.467 1064 W N 1.754 122.560 121.300 -0.824 0.000 2.335 1064 W HA -0.107 4.553 4.660 0.000 0.000 0.311 1064 W C -0.688 175.644 176.519 -0.313 0.000 1.213 1064 W CA 1.861 58.830 57.345 -0.627 0.000 1.274 1064 W CB -1.378 27.763 29.460 -0.531 0.000 1.148 1064 W HN 0.360 nan 8.180 nan 0.000 0.498 1065 P HA -0.226 nan 4.420 nan 0.000 0.215 1065 P C 1.701 178.783 177.300 -0.364 0.000 1.157 1065 P CA 1.869 64.691 63.100 -0.463 0.000 0.863 1065 P CB -0.432 31.114 31.700 -0.256 0.000 0.787 1066 M N -0.947 118.516 119.600 -0.228 0.000 2.530 1066 M HA -0.099 4.381 4.480 0.000 0.000 0.261 1066 M C 1.334 177.554 176.300 -0.133 0.000 1.067 1066 M CA 1.505 56.727 55.300 -0.128 0.000 1.071 1066 M CB -0.875 31.697 32.600 -0.047 0.000 1.405 1066 M HN -0.259 nan 8.290 nan 0.000 0.478 1067 V N -1.064 118.699 119.914 -0.252 0.000 2.575 1067 V HA -0.112 4.008 4.120 0.000 0.000 0.242 1067 V C 2.078 178.001 176.094 -0.285 0.000 1.045 1067 V CA 1.149 63.330 62.300 -0.198 0.000 1.065 1067 V CB -0.378 31.354 31.823 -0.152 0.000 0.717 1067 V HN 0.372 nan 8.190 nan 0.000 0.467 1068 K N 0.978 121.001 120.400 -0.629 0.000 2.103 1068 K HA -0.053 4.267 4.320 0.000 0.000 0.207 1068 K C 1.022 177.533 176.600 -0.148 0.000 1.048 1068 K CA 1.271 57.257 56.287 -0.501 0.000 0.930 1068 K CB -0.242 31.839 32.500 -0.698 0.000 0.716 1068 K HN 0.451 nan 8.250 nan 0.000 0.444 1069 A N 1.201 123.923 122.820 -0.164 0.000 2.362 1069 A HA 0.337 4.657 4.320 0.000 0.000 0.276 1069 A C 0.632 178.197 177.584 -0.033 0.000 1.153 1069 A CA -0.160 51.830 52.037 -0.078 0.000 0.813 1069 A CB 0.599 19.550 19.000 -0.082 0.000 1.081 1069 A HN 0.313 nan 8.150 nan 0.000 0.507 1070 G N 1.986 110.786 108.800 -0.000 0.000 2.800 1070 G HA2 0.183 4.143 3.960 0.000 0.000 0.268 1070 G HA3 0.183 4.143 3.960 0.000 0.000 0.268 1070 G C 0.812 175.727 174.900 0.025 0.000 0.707 1070 G CA -0.211 44.905 45.100 0.027 0.000 2.070 1070 G HN 0.692 nan 8.290 nan 0.000 0.579 1071 R N -0.248 120.266 120.500 0.023 0.000 2.243 1071 R HA 0.123 4.463 4.340 0.000 0.000 0.193 1071 R C 0.426 176.761 176.300 0.058 0.000 0.933 1071 R CA 0.449 56.567 56.100 0.030 0.000 1.105 1071 R CB 0.171 30.480 30.300 0.015 0.000 1.169 1071 R HN 0.293 nan 8.270 nan 0.000 0.599 1072 T N 1.590 116.189 114.554 0.076 0.000 2.912 1072 T HA 0.536 4.886 4.350 0.000 0.000 0.288 1072 T C -0.559 174.247 174.700 0.176 0.000 1.030 1072 T CA -0.565 61.617 62.100 0.136 0.000 1.020 1072 T CB 2.266 71.235 68.868 0.169 0.000 1.056 1072 T HN -0.010 nan 8.240 nan 0.000 0.480 1073 R N 1.703 122.332 120.500 0.215 0.000 2.521 1073 R HA 0.507 4.847 4.340 0.000 0.000 0.295 1073 R C -0.917 175.661 176.300 0.463 0.000 1.183 1073 R CA -0.510 55.783 56.100 0.322 0.000 0.957 1073 R CB 1.415 31.885 30.300 0.282 0.000 1.171 1073 R HN 0.324 nan 8.270 nan 0.000 0.494 1074 V N 2.950 123.174 119.914 0.517 0.000 3.133 1074 V HA 0.228 4.348 4.120 0.000 0.000 0.305 1074 V C -0.068 176.355 176.094 0.550 0.000 1.084 1074 V CA -0.339 62.308 62.300 0.578 0.000 1.089 1074 V CB 1.436 33.561 31.823 0.504 0.000 1.073 1074 V HN 0.498 nan 8.190 nan 0.000 0.477 1075 L N 3.886 125.369 121.223 0.434 0.000 2.457 1075 L HA 0.465 4.805 4.340 0.000 0.000 0.259 1075 L C -0.436 176.450 176.870 0.027 0.000 1.377 1075 L CA 0.043 54.899 54.840 0.026 0.000 0.887 1075 L CB 0.957 42.886 42.059 -0.217 0.000 1.085 1075 L HN 0.358 nan 8.230 nan 0.000 0.509 1076 V N 2.144 122.076 119.914 0.031 0.000 2.872 1076 V HA 0.110 4.230 4.120 0.000 0.000 0.307 1076 V C 0.485 176.578 176.094 -0.002 0.000 1.072 1076 V CA 0.085 62.416 62.300 0.053 0.000 1.148 1076 V CB 0.617 32.450 31.823 0.018 0.000 0.954 1076 V HN 0.667 nan 8.190 nan 0.000 0.490 1077 E N 4.654 124.881 120.200 0.045 0.000 2.141 1077 E HA 0.563 4.913 4.350 0.000 0.000 0.259 1077 E C -1.591 175.055 176.600 0.078 0.000 0.883 1077 E CA -0.556 55.862 56.400 0.030 0.000 0.744 1077 E CB 1.290 31.006 29.700 0.026 0.000 1.150 1077 E HN 0.400 nan 8.360 nan 0.000 0.420 1078 L N 1.550 122.850 121.223 0.128 0.000 2.376 1078 L HA 0.389 4.729 4.340 0.000 0.000 0.275 1078 L C 1.363 178.329 176.870 0.160 0.000 0.987 1078 L CA -0.485 54.483 54.840 0.214 0.000 0.828 1078 L CB 1.613 43.905 42.059 0.389 0.000 1.249 1078 L HN 0.640 nan 8.230 nan 0.000 0.409 1079 G N 0.559 109.422 108.800 0.105 0.000 2.491 1079 G HA2 -0.141 3.819 3.960 0.000 0.000 0.218 1079 G HA3 -0.141 3.819 3.960 0.000 0.000 0.218 1079 G C 0.314 174.954 174.900 -0.435 0.000 1.180 1079 G CA 1.052 46.124 45.100 -0.047 0.000 0.774 1079 G HN 0.632 nan 8.290 nan 0.000 0.562 1080 H N -3.046 116.020 119.070 -0.006 0.000 3.038 1080 H HA 0.629 5.185 4.556 0.000 0.000 0.289 1080 H C -0.832 174.424 175.328 -0.119 0.000 1.510 1080 H CA -0.407 55.506 56.048 -0.225 0.000 1.227 1080 H CB 1.655 31.326 29.762 -0.152 0.000 1.880 1080 H HN 0.404 nan 8.280 nan 0.000 0.594 1081 Y N -3.930 116.431 120.300 0.101 0.000 3.032 1081 Y HA 0.355 4.905 4.550 0.000 0.000 0.417 1081 Y C -2.232 173.491 175.900 -0.295 0.000 1.126 1081 Y CA -1.495 56.596 58.100 -0.013 0.000 1.276 1081 Y CB -0.351 38.266 38.460 0.261 0.000 1.654 1081 Y HN 0.366 nan 8.280 nan 0.000 0.488 1082 V N 3.315 123.090 119.914 -0.232 0.000 2.304 1082 V HA 0.324 4.444 4.120 0.000 0.000 0.269 1082 V C -0.434 175.659 176.094 -0.003 0.000 1.036 1082 V CA -0.601 61.503 62.300 -0.327 0.000 0.840 1082 V CB -0.904 30.578 31.823 -0.568 0.000 1.036 1082 V HN 0.732 nan 8.190 nan 0.000 0.466 1083 Y N 2.114 122.484 120.300 0.116 0.000 2.300 1083 Y HA 0.712 5.262 4.550 0.000 0.000 0.328 1083 Y C 0.301 176.148 175.900 -0.088 0.000 1.270 1083 Y CA -0.976 57.101 58.100 -0.038 0.000 1.352 1083 Y CB 1.193 39.702 38.460 0.081 0.000 1.286 1083 Y HN 0.464 nan 8.280 nan 0.000 0.536 1084 T N 5.187 119.762 114.554 0.036 0.000 3.170 1084 T HA 0.553 4.903 4.350 0.000 0.000 0.315 1084 T C -1.628 172.964 174.700 -0.179 0.000 0.967 1084 T CA -0.877 61.217 62.100 -0.010 0.000 1.024 1084 T CB -0.337 68.504 68.868 -0.043 0.000 1.018 1084 T HN 0.755 nan 8.240 nan 0.000 0.449 1085 L N 3.279 124.457 121.223 -0.075 0.000 2.344 1085 L HA 0.829 5.169 4.340 0.000 0.000 0.272 1085 L C -0.457 176.199 176.870 -0.357 0.000 1.035 1085 L CA -0.939 53.722 54.840 -0.297 0.000 0.807 1085 L CB 0.229 42.213 42.059 -0.124 0.000 1.237 1085 L HN 0.640 nan 8.230 nan 0.000 0.442 1086 H N -0.374 118.706 119.070 0.016 0.000 2.589 1086 H HA 0.599 5.155 4.556 0.000 0.000 0.335 1086 H C -1.337 174.003 175.328 0.021 0.000 1.019 1086 H CA -0.628 55.472 56.048 0.086 0.000 1.213 1086 H CB 0.460 30.311 29.762 0.148 0.000 1.472 1086 H HN 0.459 nan 8.280 nan 0.000 0.508 1087 Y N 2.555 123.005 120.300 0.250 0.000 2.309 1087 Y HA 0.231 4.781 4.550 0.000 0.000 0.327 1087 Y C 0.126 176.143 175.900 0.195 0.000 1.172 1087 Y CA -0.201 57.980 58.100 0.134 0.000 1.280 1087 Y CB 0.483 38.966 38.460 0.039 0.000 1.234 1087 Y HN 0.720 nan 8.280 nan 0.000 0.512 1088 Y N -1.901 118.575 120.300 0.294 0.000 2.790 1088 Y HA 0.578 5.128 4.550 0.000 0.000 0.323 1088 Y C -1.153 174.881 175.900 0.223 0.000 1.230 1088 Y CA -1.939 56.298 58.100 0.230 0.000 1.121 1088 Y CB 0.714 39.295 38.460 0.201 0.000 1.328 1088 Y HN 0.314 nan 8.280 nan 0.000 0.514 1089 D N 3.351 124.018 120.400 0.445 0.000 2.339 1089 D HA 0.206 4.846 4.640 0.000 0.000 0.241 1089 D C -1.736 174.840 176.300 0.460 0.000 1.183 1089 D CA -1.906 52.283 54.000 0.315 0.000 0.859 1089 D CB 1.524 42.458 40.800 0.224 0.000 1.067 1089 D HN 0.429 nan 8.370 nan 0.000 0.484 1090 P HA -0.159 nan 4.420 nan 0.000 0.227 1090 P C 0.549 177.975 177.300 0.210 0.000 1.145 1090 P CA 1.053 64.423 63.100 0.450 0.000 0.769 1090 P CB 0.490 32.485 31.700 0.491 0.000 0.769 1091 Q N -0.821 119.071 119.800 0.153 0.000 2.356 1091 Q HA 0.221 4.561 4.340 0.000 0.000 0.205 1091 Q C 0.753 176.792 176.000 0.066 0.000 0.901 1091 Q CA 0.059 55.900 55.803 0.063 0.000 0.938 1091 Q CB 0.363 29.124 28.738 0.039 0.000 1.081 1091 Q HN 0.346 nan 8.270 nan 0.000 0.517 1092 I N 1.594 122.230 120.570 0.109 0.000 2.347 1092 I HA 0.134 4.304 4.170 0.000 0.000 0.283 1092 I C -0.266 175.861 176.117 0.018 0.000 1.058 1092 I CA -0.483 60.856 61.300 0.065 0.000 1.202 1092 I CB 1.404 39.457 38.000 0.088 0.000 1.386 1092 I HN -0.113 nan 8.210 nan 0.000 0.475 1093 S N 6.689 122.379 115.700 -0.017 0.000 2.752 1093 S HA 0.110 4.580 4.470 0.000 0.000 0.329 1093 S C -0.303 174.245 174.600 -0.085 0.000 1.204 1093 S CA 0.061 58.222 58.200 -0.066 0.000 1.252 1093 S CB -0.380 62.784 63.200 -0.060 0.000 1.053 1093 S HN 0.362 nan 8.310 nan 0.000 0.533 1094 L N 4.549 125.687 121.223 -0.142 0.000 2.438 1094 L HA 0.474 4.815 4.340 0.000 0.000 0.270 1094 L C -0.483 176.282 176.870 -0.176 0.000 0.972 1094 L CA -0.550 54.214 54.840 -0.128 0.000 0.831 1094 L CB 1.677 43.676 42.059 -0.100 0.000 1.273 1094 L HN 0.416 nan 8.230 nan 0.000 0.405 1095 D N 2.956 123.291 120.400 -0.108 0.000 2.399 1095 D HA 0.002 4.642 4.640 0.000 0.000 0.241 1095 D C 0.056 176.352 176.300 -0.007 0.000 1.133 1095 D CA 0.121 54.073 54.000 -0.080 0.000 0.890 1095 D CB 1.299 42.100 40.800 0.001 0.000 1.201 1095 D HN 0.619 nan 8.370 nan 0.000 0.432 1096 E N 2.279 122.520 120.200 0.068 0.000 2.452 1096 E HA 0.046 4.396 4.350 0.000 0.000 0.197 1096 E C 1.641 178.498 176.600 0.427 0.000 1.022 1096 E CA 0.241 56.775 56.400 0.223 0.000 0.890 1096 E CB 0.009 29.847 29.700 0.230 0.000 0.918 1096 E HN 0.590 nan 8.360 nan 0.000 0.496 1097 A N 2.356 125.505 122.820 0.548 0.000 1.903 1097 A HA -0.183 4.137 4.320 0.000 0.000 0.219 1097 A C -0.303 177.455 177.584 0.290 0.000 1.191 1097 A CA 1.736 53.981 52.037 0.346 0.000 0.638 1097 A CB -1.557 17.530 19.000 0.145 0.000 0.823 1097 A HN 0.182 nan 8.150 nan 0.000 0.451 1098 P HA -0.121 nan 4.420 nan 0.000 0.214 1098 P C 1.313 178.680 177.300 0.113 0.000 1.162 1098 P CA 0.839 64.018 63.100 0.132 0.000 0.879 1098 P CB -0.113 31.639 31.700 0.086 0.000 0.786 1099 I N -1.378 119.254 120.570 0.103 0.000 2.623 1099 I HA -0.195 3.975 4.170 0.000 0.000 0.261 1099 I C 2.141 178.332 176.117 0.124 0.000 1.204 1099 I CA 1.345 62.683 61.300 0.062 0.000 1.444 1099 I CB -1.321 36.688 38.000 0.015 0.000 1.094 1099 I HN 0.045 nan 8.210 nan 0.000 0.451 1100 L N 0.268 121.592 121.223 0.169 0.000 2.116 1100 L HA -0.094 4.246 4.340 0.000 0.000 0.200 1100 L C 2.337 179.253 176.870 0.076 0.000 1.084 1100 L CA 0.802 55.726 54.840 0.141 0.000 0.766 1100 L CB -0.209 41.958 42.059 0.179 0.000 0.930 1100 L HN 0.097 nan 8.230 nan 0.000 0.453 1101 E N -0.153 120.032 120.200 -0.025 0.000 2.284 1101 E HA -0.339 4.011 4.350 0.000 0.000 0.200 1101 E C 1.701 178.292 176.600 -0.015 0.000 1.008 1101 E CA 1.280 57.608 56.400 -0.120 0.000 0.829 1101 E CB -0.092 29.578 29.700 -0.050 0.000 0.744 1101 E HN 0.409 nan 8.360 nan 0.000 0.491 1102 E N 0.510 120.746 120.200 0.059 0.000 2.130 1102 E HA -0.231 4.119 4.350 0.000 0.000 0.196 1102 E C 1.452 178.111 176.600 0.098 0.000 0.998 1102 E CA 1.405 57.847 56.400 0.070 0.000 0.806 1102 E CB -0.254 29.500 29.700 0.090 0.000 0.738 1102 E HN 0.443 nan 8.360 nan 0.000 0.459 1103 W N 0.428 121.675 121.300 -0.089 0.000 2.424 1103 W HA -0.097 4.563 4.660 0.000 0.000 0.323 1103 W C 1.783 178.207 176.519 -0.160 0.000 1.175 1103 W CA 1.293 58.570 57.345 -0.114 0.000 1.312 1103 W CB -0.761 28.620 29.460 -0.131 0.000 1.186 1103 W HN 0.067 nan 8.180 nan 0.000 0.463 1104 L N 1.003 122.059 121.223 -0.278 0.000 2.082 1104 L HA -0.362 3.978 4.340 0.000 0.000 0.223 1104 L C 2.598 179.238 176.870 -0.382 0.000 1.086 1104 L CA 2.606 57.141 54.840 -0.509 0.000 0.793 1104 L CB -2.383 39.449 42.059 -0.378 0.000 0.896 1104 L HN 0.295 nan 8.230 nan 0.000 0.441 1105 S N -0.302 115.262 115.700 -0.227 0.000 2.372 1105 S HA -0.253 4.217 4.470 0.000 0.000 0.227 1105 S C 1.850 176.350 174.600 -0.167 0.000 1.044 1105 S CA 1.988 60.097 58.200 -0.151 0.000 1.050 1105 S CB -0.042 63.110 63.200 -0.080 0.000 0.901 1105 S HN 0.530 nan 8.310 nan 0.000 0.447 1106 K N 0.097 120.378 120.400 -0.198 0.000 2.400 1106 K HA 0.273 4.593 4.320 0.000 0.000 0.194 1106 K C 0.321 176.763 176.600 -0.262 0.000 1.033 1106 K CA 0.064 56.244 56.287 -0.178 0.000 1.021 1106 K CB 0.054 32.486 32.500 -0.112 0.000 0.808 1106 K HN 0.431 nan 8.250 nan 0.000 0.505 1107 I N 3.349 123.667 120.570 -0.420 0.000 2.588 1107 I HA -0.041 4.129 4.170 0.000 0.000 0.283 1107 I C 0.236 176.183 176.117 -0.284 0.000 1.119 1107 I CA -0.097 60.930 61.300 -0.454 0.000 1.419 1107 I CB 0.297 37.884 38.000 -0.687 0.000 1.394 1107 I HN 0.315 nan 8.210 nan 0.000 0.562 1108 N N 5.631 124.200 118.700 -0.220 0.000 3.277 1108 N HA 0.329 5.069 4.740 0.000 0.000 0.278 1108 N C -2.840 172.600 175.510 -0.118 0.000 1.544 1108 N CA -1.440 51.526 53.050 -0.139 0.000 0.869 1108 N CB 1.207 39.638 38.487 -0.093 0.000 1.584 1108 N HN 0.002 nan 8.380 nan 0.000 0.564 1109 P HA -0.014 nan 4.420 nan 0.000 0.215 1109 P C 1.277 178.543 177.300 -0.057 0.000 1.157 1109 P CA 2.666 65.725 63.100 -0.069 0.000 0.868 1109 P CB -0.199 31.468 31.700 -0.056 0.000 0.788 1110 A N -1.050 121.753 122.820 -0.027 0.000 2.186 1110 A HA 0.254 4.574 4.320 0.000 0.000 0.219 1110 A C 1.140 178.779 177.584 0.092 0.000 1.159 1110 A CA 1.508 53.582 52.037 0.062 0.000 0.680 1110 A CB -1.197 17.910 19.000 0.177 0.000 0.787 1110 A HN 0.370 nan 8.150 nan 0.000 0.467 1111 G N -1.849 106.922 108.800 -0.049 0.000 2.322 1111 G HA2 0.374 4.334 3.960 0.000 0.000 0.289 1111 G HA3 0.374 4.334 3.960 0.000 0.000 0.289 1111 G C -0.904 173.832 174.900 -0.274 0.000 1.687 1111 G CA -0.786 44.218 45.100 -0.159 0.000 0.944 1111 G HN 0.227 nan 8.290 nan 0.000 0.718 1112 I N 2.981 123.277 120.570 -0.456 0.000 2.488 1112 I HA 0.445 4.615 4.170 0.000 0.000 0.299 1112 I C -1.779 174.145 176.117 -0.323 0.000 0.984 1112 I CA -2.178 58.864 61.300 -0.429 0.000 1.250 1112 I CB 2.497 40.275 38.000 -0.370 0.000 1.389 1112 I HN 0.258 nan 8.210 nan 0.000 0.488 1113 P HA 0.337 nan 4.420 nan 0.000 0.285 1113 P C -2.704 174.891 177.300 0.492 0.000 1.269 1113 P CA -2.488 60.736 63.100 0.207 0.000 0.844 1113 P CB 0.583 32.377 31.700 0.156 0.000 1.094 1114 P HA -0.079 nan 4.420 nan 0.000 0.257 1114 P C -0.006 177.294 177.300 0.000 0.000 1.162 1114 P CA 0.603 63.852 63.100 0.249 0.000 0.762 1114 P CB -0.046 31.724 31.700 0.117 0.000 0.753 1115 V N 7.584 127.343 119.914 -0.259 0.000 2.644 1115 V HA -0.004 4.116 4.120 0.000 0.000 0.305 1115 V C -1.452 174.105 176.094 -0.895 0.000 1.053 1115 V CA -0.192 61.535 62.300 -0.955 0.000 1.186 1115 V CB -0.020 31.102 31.823 -1.169 0.000 0.895 1115 V HN 0.588 nan 8.190 nan 0.000 0.490 1116 P HA 0.367 nan 4.420 nan 0.000 0.266 1116 P C -0.771 176.355 177.300 -0.290 0.000 1.567 1116 P CA -0.309 62.508 63.100 -0.471 0.000 1.077 1116 P CB 0.263 31.921 31.700 -0.069 0.000 1.396 1117 F N 1.755 121.620 119.950 -0.143 0.000 2.370 1117 F HA 0.384 4.911 4.527 0.000 0.000 0.324 1117 F C 0.913 176.723 175.800 0.017 0.000 1.116 1117 F CA -0.723 57.254 58.000 -0.038 0.000 1.123 1117 F CB 1.118 40.044 39.000 -0.123 0.000 1.238 1117 F HN 0.194 nan 8.300 nan 0.000 0.536 1118 C N 3.835 123.388 119.300 0.422 0.000 2.437 1118 C HA 0.504 4.964 4.460 0.000 0.000 0.307 1118 C C -0.016 175.237 174.990 0.438 0.000 1.093 1118 C CA -0.977 58.313 59.018 0.454 0.000 1.463 1118 C CB -0.931 27.147 27.740 0.563 0.000 1.926 1118 C HN 0.503 nan 8.230 nan 0.000 0.420 1119 I N 5.640 126.222 120.570 0.021 0.000 2.428 1119 I HA 0.351 4.521 4.170 0.000 0.000 0.296 1119 I C -1.941 173.953 176.117 -0.371 0.000 0.985 1119 I CA -1.831 59.381 61.300 -0.146 0.000 1.260 1119 I CB 1.753 39.502 38.000 -0.418 0.000 1.389 1119 I HN 0.312 nan 8.210 nan 0.000 0.484 1120 P HA 0.230 nan 4.420 nan 0.000 0.287 1120 P C -0.448 176.746 177.300 -0.177 0.000 1.281 1120 P CA -0.176 62.475 63.100 -0.748 0.000 0.781 1120 P CB 0.718 32.322 31.700 -0.160 0.000 0.903 1121 I N 5.809 126.321 120.570 -0.098 0.000 2.664 1121 I HA -0.007 4.163 4.170 0.000 0.000 0.284 1121 I C -1.775 174.359 176.117 0.028 0.000 1.154 1121 I CA -1.652 59.667 61.300 0.031 0.000 1.402 1121 I CB -0.483 37.541 38.000 0.040 0.000 1.395 1121 I HN 0.109 nan 8.210 nan 0.000 0.545 1122 P HA -0.047 nan 4.420 nan 0.000 0.257 1122 P C -0.629 176.700 177.300 0.048 0.000 1.189 1122 P CA 0.113 63.196 63.100 -0.028 0.000 0.780 1122 P CB 0.232 31.887 31.700 -0.075 0.000 0.772 1123 Q N 2.315 122.207 119.800 0.154 0.000 2.314 1123 Q HA 0.109 4.449 4.340 0.000 0.000 0.258 1123 Q C 1.037 177.105 176.000 0.112 0.000 0.954 1123 Q CA 0.063 55.974 55.803 0.181 0.000 0.890 1123 Q CB 0.787 29.694 28.738 0.282 0.000 1.210 1123 Q HN 0.169 nan 8.270 nan 0.000 0.410 1124 V N 3.033 122.993 119.914 0.077 0.000 2.649 1124 V HA -0.017 4.103 4.120 0.000 0.000 0.248 1124 V C -0.159 175.824 176.094 -0.186 0.000 1.054 1124 V CA 0.920 63.174 62.300 -0.078 0.000 1.073 1124 V CB -0.253 31.482 31.823 -0.147 0.000 0.699 1124 V HN 0.631 nan 8.190 nan 0.000 0.463 1125 Y N 0.630 120.963 120.300 0.054 0.000 2.429 1125 Y HA 0.489 5.039 4.550 0.000 0.000 0.342 1125 Y C -2.089 173.840 175.900 0.048 0.000 1.004 1125 Y CA -3.288 54.838 58.100 0.043 0.000 1.075 1125 Y CB 0.904 39.382 38.460 0.030 0.000 1.214 1125 Y HN -0.030 nan 8.280 nan 0.000 0.455 1126 P HA -0.033 nan 4.420 nan 0.000 0.256 1126 P C -0.724 176.623 177.300 0.078 0.000 1.173 1126 P CA 0.342 63.510 63.100 0.114 0.000 0.768 1126 P CB 0.077 31.831 31.700 0.090 0.000 0.758 1127 C N 3.634 122.943 119.300 0.016 0.000 2.482 1127 C HA 0.542 5.002 4.460 0.000 0.000 0.317 1127 C C 0.425 175.341 174.990 -0.123 0.000 1.197 1127 C CA -1.445 57.554 59.018 -0.032 0.000 1.432 1127 C CB 0.007 27.741 27.740 -0.010 0.000 2.062 1127 C HN 0.507 nan 8.230 nan 0.000 0.471 1128 I N 4.814 125.331 120.570 -0.088 0.000 2.691 1128 I HA 0.098 4.268 4.170 0.000 0.000 0.288 1128 I C 1.446 177.476 176.117 -0.145 0.000 1.143 1128 I CA 0.897 62.133 61.300 -0.106 0.000 1.364 1128 I CB 0.035 37.998 38.000 -0.061 0.000 1.435 1128 I HN 0.910 nan 8.210 nan 0.000 0.551 1129 T N 3.412 117.819 114.554 -0.245 0.000 2.898 1129 T HA 0.525 4.875 4.350 0.000 0.000 0.301 1129 T C 0.173 174.808 174.700 -0.108 0.000 1.049 1129 T CA -0.984 60.969 62.100 -0.245 0.000 1.095 1129 T CB 1.504 70.112 68.868 -0.432 0.000 0.976 1129 T HN 0.604 nan 8.240 nan 0.000 0.539 1130 A N 2.185 124.976 122.820 -0.049 0.000 2.306 1130 A HA 0.570 4.890 4.320 0.000 0.000 0.314 1130 A C 0.510 178.069 177.584 -0.041 0.000 1.164 1130 A CA -1.016 51.000 52.037 -0.035 0.000 0.822 1130 A CB 0.511 19.502 19.000 -0.016 0.000 1.130 1130 A HN 0.975 nan 8.150 nan 0.000 0.496 1131 R N 1.833 122.295 120.500 -0.063 0.000 2.421 1131 R HA 0.257 4.597 4.340 0.000 0.000 0.305 1131 R C -0.258 175.949 176.300 -0.154 0.000 1.039 1131 R CA 0.203 56.245 56.100 -0.096 0.000 1.003 1131 R CB 0.206 30.452 30.300 -0.090 0.000 0.959 1131 R HN 0.848 nan 8.270 nan 0.000 0.427 1132 R N 2.157 122.508 120.500 -0.249 0.000 2.651 1132 R HA 0.374 4.714 4.340 0.000 0.000 0.278 1132 R C -1.071 174.840 176.300 -0.649 0.000 1.010 1132 R CA -1.060 54.796 56.100 -0.406 0.000 0.896 1132 R CB 1.461 31.483 30.300 -0.464 0.000 1.211 1132 R HN 0.318 nan 8.270 nan 0.000 0.456 1133 V N -0.458 119.091 119.914 -0.609 0.000 2.407 1133 V HA 0.483 4.603 4.120 0.000 0.000 0.278 1133 V C -0.542 174.981 176.094 -0.952 0.000 1.037 1133 V CA -0.612 61.259 62.300 -0.715 0.000 0.900 1133 V CB 0.637 32.163 31.823 -0.495 0.000 0.983 1133 V HN 0.804 nan 8.190 nan 0.000 0.459 1134 H N 3.302 121.908 119.070 -0.772 0.000 2.567 1134 H HA 0.623 5.179 4.556 0.000 0.000 0.345 1134 H C -0.663 174.313 175.328 -0.587 0.000 1.169 1134 H CA -0.278 55.383 56.048 -0.646 0.000 1.227 1134 H CB 1.897 31.033 29.762 -1.044 0.000 1.607 1134 H HN 0.683 nan 8.280 nan 0.000 0.534 1135 Y N -0.431 120.099 120.300 0.384 0.000 2.652 1135 Y HA 0.410 4.960 4.550 0.000 0.000 0.275 1135 Y C 1.090 177.301 175.900 0.517 0.000 1.133 1135 Y CA 0.337 58.694 58.100 0.427 0.000 1.246 1135 Y CB 0.398 39.125 38.460 0.445 0.000 1.334 1135 Y HN 0.651 nan 8.280 nan 0.000 0.493 1136 A N 0.792 124.024 122.820 0.686 0.000 2.239 1136 A HA 0.787 5.107 4.320 0.000 0.000 0.303 1136 A C -1.044 176.916 177.584 0.627 0.000 1.114 1136 A CA -0.043 52.310 52.037 0.527 0.000 0.871 1136 A CB 0.284 19.595 19.000 0.519 0.000 1.201 1136 A HN 0.478 nan 8.150 nan 0.000 0.506 1137 F N -3.297 116.766 119.950 0.189 0.000 2.680 1137 F HA 0.363 4.890 4.527 0.000 0.000 0.314 1137 F C -0.390 175.352 175.800 -0.097 0.000 1.055 1137 F CA -0.407 57.419 58.000 -0.291 0.000 0.918 1137 F CB -0.633 38.182 39.000 -0.308 0.000 1.363 1137 F HN 0.876 nan 8.300 nan 0.000 0.501 1138 T N -0.381 114.113 114.554 -0.100 0.000 2.816 1138 T HA 0.534 4.884 4.350 0.000 0.000 0.282 1138 T C 0.911 175.736 174.700 0.208 0.000 0.993 1138 T CA -0.006 62.137 62.100 0.072 0.000 0.994 1138 T CB 1.428 70.307 68.868 0.019 0.000 1.025 1138 T HN 1.209 nan 8.240 nan 0.000 0.529 1139 S N -0.352 115.464 115.700 0.193 0.000 2.404 1139 S HA 0.088 4.558 4.470 0.000 0.000 0.223 1139 S C 0.593 175.231 174.600 0.064 0.000 1.040 1139 S CA -0.189 58.138 58.200 0.211 0.000 0.957 1139 S CB -0.284 63.042 63.200 0.210 0.000 0.826 1139 S HN 0.742 nan 8.310 nan 0.000 0.491 1140 E N 3.394 123.601 120.200 0.012 0.000 2.342 1140 E HA 0.226 4.576 4.350 0.000 0.000 0.257 1140 E C -0.173 176.386 176.600 -0.068 0.000 1.150 1140 E CA -0.510 55.867 56.400 -0.037 0.000 0.926 1140 E CB 0.157 29.820 29.700 -0.062 0.000 1.074 1140 E HN 0.589 nan 8.360 nan 0.000 0.449 1141 N N 1.366 120.014 118.700 -0.087 0.000 2.414 1141 N HA 0.073 4.813 4.740 0.000 0.000 0.256 1141 N C -0.529 174.909 175.510 -0.119 0.000 1.029 1141 N CA -0.168 52.809 53.050 -0.121 0.000 0.948 1141 N CB 0.552 38.969 38.487 -0.116 0.000 1.102 1141 N HN 0.229 nan 8.380 nan 0.000 0.496 1142 N N 1.694 120.302 118.700 -0.154 0.000 2.275 1142 N HA -0.034 4.706 4.740 0.000 0.000 0.236 1142 N C 0.173 175.584 175.510 -0.165 0.000 1.154 1142 N CA -0.146 52.821 53.050 -0.139 0.000 0.866 1142 N CB 0.120 38.521 38.487 -0.142 0.000 1.093 1142 N HN 0.684 nan 8.380 nan 0.000 0.515 1143 N N 0.608 119.212 118.700 -0.160 0.000 2.276 1143 N HA -0.075 4.665 4.740 0.000 0.000 0.212 1143 N C 0.691 176.162 175.510 -0.066 0.000 1.127 1143 N CA 0.009 52.981 53.050 -0.131 0.000 0.834 1143 N CB 0.108 38.501 38.487 -0.157 0.000 1.014 1143 N HN 0.070 nan 8.380 nan 0.000 0.491 1144 D N 0.510 120.880 120.400 -0.050 0.000 2.218 1144 D HA -0.180 4.460 4.640 0.000 0.000 0.204 1144 D C 1.720 178.026 176.300 0.010 0.000 0.976 1144 D CA 1.271 55.252 54.000 -0.031 0.000 0.853 1144 D CB -0.049 40.729 40.800 -0.037 0.000 0.939 1144 D HN 0.164 nan 8.370 nan 0.000 0.481 1145 S N -0.553 115.179 115.700 0.053 0.000 2.365 1145 S HA -0.212 4.258 4.470 0.000 0.000 0.225 1145 S C 1.047 175.705 174.600 0.097 0.000 1.039 1145 S CA 0.576 58.836 58.200 0.100 0.000 1.033 1145 S CB -0.860 62.451 63.200 0.186 0.000 0.887 1145 S HN 0.458 nan 8.310 nan 0.000 0.447 1146 L N 2.344 123.613 121.223 0.076 0.000 2.780 1146 L HA 0.069 4.409 4.340 0.000 0.000 0.275 1146 L C 0.715 177.628 176.870 0.073 0.000 1.153 1146 L CA 0.433 55.313 54.840 0.066 0.000 0.993 1146 L CB -0.190 41.878 42.059 0.015 0.000 1.319 1146 L HN 0.372 nan 8.230 nan 0.000 0.479 1147 F N 3.792 123.719 119.950 -0.037 0.000 2.187 1147 F HA 0.153 4.680 4.527 0.000 0.000 0.295 1147 F C 1.185 176.950 175.800 -0.058 0.000 1.091 1147 F CA 0.913 58.889 58.000 -0.040 0.000 1.308 1147 F CB 0.208 39.193 39.000 -0.025 0.000 1.030 1147 F HN 0.702 nan 8.300 nan 0.000 0.487 1148 S N -1.237 114.392 115.700 -0.119 0.000 2.680 1148 S HA 0.386 4.856 4.470 0.000 0.000 0.284 1148 S C -1.077 173.467 174.600 -0.094 0.000 1.055 1148 S CA -0.252 57.809 58.200 -0.232 0.000 0.849 1148 S CB 0.487 63.440 63.200 -0.413 0.000 1.068 1148 S HN 0.480 nan 8.310 nan 0.000 0.453 1149 T N 1.570 116.054 114.554 -0.117 0.000 2.841 1149 T HA 0.662 5.012 4.350 0.000 0.000 0.285 1149 T C -0.659 173.990 174.700 -0.086 0.000 0.991 1149 T CA -0.370 61.673 62.100 -0.095 0.000 0.966 1149 T CB 0.727 69.534 68.868 -0.103 0.000 0.962 1149 T HN 0.909 nan 8.240 nan 0.000 0.438 1150 N N 1.157 119.816 118.700 -0.069 0.000 2.771 1150 N HA -0.156 4.584 4.740 0.000 0.000 0.249 1150 N C 1.030 176.508 175.510 -0.054 0.000 1.069 1150 N CA 0.752 53.767 53.050 -0.060 0.000 0.688 1150 N CB -1.390 37.057 38.487 -0.066 0.000 0.928 1150 N HN 1.003 nan 8.380 nan 0.000 0.551 1151 A N -0.098 122.699 122.820 -0.039 0.000 2.019 1151 A HA 0.113 4.433 4.320 0.000 0.000 0.219 1151 A C 2.052 179.621 177.584 -0.026 0.000 1.164 1151 A CA 1.845 53.866 52.037 -0.026 0.000 0.644 1151 A CB -0.113 18.893 19.000 0.010 0.000 0.805 1151 A HN 0.672 nan 8.150 nan 0.000 0.449 1152 A N -0.804 121.999 122.820 -0.029 0.000 2.276 1152 A HA 0.471 4.791 4.320 0.000 0.000 0.212 1152 A C 0.704 178.266 177.584 -0.036 0.000 1.230 1152 A CA 0.425 52.444 52.037 -0.029 0.000 0.844 1152 A CB -0.231 18.752 19.000 -0.029 0.000 0.860 1152 A HN 0.284 nan 8.150 nan 0.000 0.486 1153 S N -0.839 114.832 115.700 -0.048 0.000 2.568 1153 S HA 0.397 4.867 4.470 0.000 0.000 0.293 1153 S C 0.539 175.098 174.600 -0.067 0.000 1.089 1153 S CA -0.519 57.641 58.200 -0.067 0.000 0.945 1153 S CB 1.351 64.494 63.200 -0.094 0.000 1.077 1153 S HN 0.149 nan 8.310 nan 0.000 0.485 1154 I N 2.451 122.977 120.570 -0.073 0.000 3.010 1154 I HA -0.008 4.162 4.170 0.000 0.000 0.271 1154 I C 0.339 176.415 176.117 -0.069 0.000 1.293 1154 I CA 1.322 62.584 61.300 -0.062 0.000 1.452 1154 I CB -1.839 36.126 38.000 -0.058 0.000 1.082 1154 I HN 0.929 nan 8.210 nan 0.000 0.484 1155 D N -2.872 117.476 120.400 -0.086 0.000 2.959 1155 D HA 0.082 4.722 4.640 0.000 0.000 0.325 1155 D C -0.538 175.702 176.300 -0.100 0.000 1.351 1155 D CA -0.408 53.542 54.000 -0.084 0.000 0.734 1155 D CB 0.303 41.059 40.800 -0.073 0.000 1.303 1155 D HN -0.113 nan 8.370 nan 0.000 0.450 1156 T N -2.030 112.474 114.554 -0.084 0.000 2.916 1156 T HA 0.687 5.037 4.350 0.000 0.000 0.298 1156 T C 0.203 174.877 174.700 -0.043 0.000 1.031 1156 T CA -0.068 61.988 62.100 -0.074 0.000 0.993 1156 T CB 1.464 70.291 68.868 -0.069 0.000 1.045 1156 T HN 0.957 nan 8.240 nan 0.000 0.454 1157 A N 3.378 126.193 122.820 -0.009 0.000 2.030 1157 A HA 0.368 4.688 4.320 0.000 0.000 0.215 1157 A C 1.267 178.952 177.584 0.169 0.000 1.164 1157 A CA 0.316 52.388 52.037 0.059 0.000 0.697 1157 A CB -0.367 18.673 19.000 0.066 0.000 0.827 1157 A HN 0.872 nan 8.150 nan 0.000 0.457 1158 F N -1.246 118.703 119.950 -0.002 0.000 2.334 1158 F HA 0.426 4.953 4.527 0.000 0.000 0.269 1158 F C 1.338 177.146 175.800 0.013 0.000 0.879 1158 F CA 0.385 58.394 58.000 0.015 0.000 1.102 1158 F CB -0.287 38.735 39.000 0.037 0.000 1.032 1158 F HN 0.206 nan 8.300 nan 0.000 0.782 1159 G N 1.370 109.903 108.800 -0.446 0.000 2.699 1159 G HA2 0.058 4.018 3.960 0.000 0.000 0.246 1159 G HA3 0.058 4.018 3.960 0.000 0.000 0.246 1159 G C -0.559 174.121 174.900 -0.368 0.000 1.219 1159 G CA -0.252 44.536 45.100 -0.521 0.000 0.866 1159 G HN 0.475 nan 8.290 nan 0.000 0.572 1160 E N 0.227 120.251 120.200 -0.294 0.000 2.406 1160 E HA -0.076 4.274 4.350 0.000 0.000 0.247 1160 E C 0.179 176.683 176.600 -0.160 0.000 1.160 1160 E CA -0.238 56.035 56.400 -0.213 0.000 0.950 1160 E CB -0.124 29.468 29.700 -0.181 0.000 0.993 1160 E HN 0.423 nan 8.360 nan 0.000 0.472 1161 N N 3.441 122.051 118.700 -0.150 0.000 2.520 1161 N HA 0.274 5.014 4.740 0.000 0.000 0.273 1161 N C -1.528 173.909 175.510 -0.122 0.000 1.155 1161 N CA -0.046 52.930 53.050 -0.123 0.000 0.967 1161 N CB 1.422 39.845 38.487 -0.107 0.000 1.092 1161 N HN 0.515 nan 8.380 nan 0.000 0.457 1162 A N 2.420 125.164 122.820 -0.127 0.000 2.569 1162 A HA 0.704 5.024 4.320 0.000 0.000 0.282 1162 A C -0.195 177.282 177.584 -0.178 0.000 1.165 1162 A CA -0.660 51.289 52.037 -0.146 0.000 0.747 1162 A CB 0.311 19.223 19.000 -0.147 0.000 1.215 1162 A HN 0.929 nan 8.150 nan 0.000 0.431 1163 A N 1.385 124.105 122.820 -0.166 0.000 2.386 1163 A HA 0.514 4.834 4.320 0.000 0.000 0.246 1163 A C 0.454 177.860 177.584 -0.296 0.000 1.089 1163 A CA -0.125 51.801 52.037 -0.184 0.000 0.790 1163 A CB 0.062 18.986 19.000 -0.126 0.000 1.042 1163 A HN 1.400 nan 8.150 nan 0.000 0.497 1164 V N 2.286 121.972 119.914 -0.381 0.000 2.421 1164 V HA 0.133 4.253 4.120 0.000 0.000 0.271 1164 V C 1.116 176.869 176.094 -0.569 0.000 1.031 1164 V CA 0.426 62.320 62.300 -0.678 0.000 1.032 1164 V CB 0.203 31.472 31.823 -0.923 0.000 1.009 1164 V HN 0.883 nan 8.190 nan 0.000 0.477 1165 S N 7.143 122.582 115.700 -0.435 0.000 2.498 1165 S HA 0.177 4.647 4.470 0.000 0.000 0.281 1165 S C -1.077 173.494 174.600 -0.050 0.000 1.265 1165 S CA -0.932 57.153 58.200 -0.192 0.000 1.071 1165 S CB 0.986 64.107 63.200 -0.131 0.000 0.894 1165 S HN 0.602 nan 8.310 nan 0.000 0.491 1166 P HA -0.043 nan 4.420 nan 0.000 0.218 1166 P C 1.504 179.002 177.300 0.330 0.000 1.149 1166 P CA 0.280 63.607 63.100 0.379 0.000 0.817 1166 P CB 0.080 31.948 31.700 0.281 0.000 0.785 1167 L N -0.344 120.979 121.223 0.166 0.000 2.051 1167 L HA -0.212 4.128 4.340 0.000 0.000 0.214 1167 L C 2.357 179.276 176.870 0.081 0.000 1.076 1167 L CA 1.902 56.804 54.840 0.105 0.000 0.758 1167 L CB -0.824 41.258 42.059 0.037 0.000 0.890 1167 L HN -0.130 nan 8.230 nan 0.000 0.433 1168 R N -1.236 119.298 120.500 0.057 0.000 2.127 1168 R HA -0.170 4.170 4.340 0.000 0.000 0.238 1168 R C 0.235 176.334 176.300 -0.336 0.000 1.134 1168 R CA 1.028 57.010 56.100 -0.196 0.000 0.975 1168 R CB -0.690 29.423 30.300 -0.312 0.000 0.865 1168 R HN 0.442 nan 8.270 nan 0.000 0.447 1169 W N 1.487 122.872 121.300 0.142 0.000 1.853 1169 W HA 0.360 5.020 4.660 0.000 0.000 0.290 1169 W C -1.671 174.909 176.519 0.102 0.000 0.821 1169 W CA -2.323 55.126 57.345 0.174 0.000 2.222 1169 W CB 0.301 29.956 29.460 0.325 0.000 2.392 1169 W HN -0.009 nan 8.180 nan 0.000 0.420 1170 P HA -0.119 nan 4.420 nan 0.000 0.220 1170 P C 1.633 178.926 177.300 -0.011 0.000 1.148 1170 P CA 2.005 65.176 63.100 0.118 0.000 0.803 1170 P CB 0.384 32.148 31.700 0.107 0.000 0.782 1171 G N 0.781 109.435 108.800 -0.244 0.000 2.424 1171 G HA2 -0.197 3.763 3.960 0.000 0.000 0.214 1171 G HA3 -0.197 3.763 3.960 0.000 0.000 0.214 1171 G C 1.498 176.349 174.900 -0.081 0.000 1.202 1171 G CA 0.517 45.167 45.100 -0.750 0.000 0.793 1171 G HN 0.231 nan 8.290 nan 0.000 0.534 1172 L N 0.635 121.993 121.223 0.225 0.000 2.056 1172 L HA 0.027 4.367 4.340 0.000 0.000 0.207 1172 L C 2.796 179.664 176.870 -0.002 0.000 1.078 1172 L CA 1.564 56.477 54.840 0.122 0.000 0.749 1172 L CB -0.324 41.726 42.059 -0.014 0.000 0.901 1172 L HN 0.105 nan 8.230 nan 0.000 0.433 1173 V N -1.052 118.887 119.914 0.041 0.000 2.326 1173 V HA -0.053 4.067 4.120 0.000 0.000 0.238 1173 V C 0.624 176.732 176.094 0.024 0.000 1.038 1173 V CA 0.800 63.078 62.300 -0.036 0.000 1.032 1173 V CB -0.714 31.108 31.823 -0.000 0.000 0.675 1173 V HN 0.472 nan 8.190 nan 0.000 0.467 1174 D N 2.321 122.773 120.400 0.087 0.000 2.458 1174 D HA 0.011 4.651 4.640 0.000 0.000 0.243 1174 D C -1.298 175.076 176.300 0.122 0.000 1.146 1174 D CA -1.400 52.661 54.000 0.102 0.000 0.877 1174 D CB 1.210 42.088 40.800 0.130 0.000 1.176 1174 D HN 0.152 nan 8.370 nan 0.000 0.461 1175 P HA -0.057 nan 4.420 nan 0.000 0.233 1175 P C -0.152 177.213 177.300 0.108 0.000 1.167 1175 P CA 0.540 63.694 63.100 0.091 0.000 0.770 1175 P CB 0.278 32.011 31.700 0.055 0.000 0.837 1176 N N -1.196 117.576 118.700 0.120 0.000 2.251 1176 N HA 0.068 4.808 4.740 0.000 0.000 0.217 1176 N C 0.227 175.826 175.510 0.149 0.000 1.124 1176 N CA -0.474 52.639 53.050 0.106 0.000 0.843 1176 N CB -0.693 37.842 38.487 0.081 0.000 1.024 1176 N HN 0.284 nan 8.380 nan 0.000 0.501 1177 Y N 1.137 121.475 120.300 0.065 0.000 2.459 1177 Y HA 0.094 4.644 4.550 0.000 0.000 0.349 1177 Y C 0.185 176.123 175.900 0.063 0.000 1.266 1177 Y CA -0.154 57.991 58.100 0.075 0.000 1.483 1177 Y CB 0.574 39.094 38.460 0.099 0.000 1.362 1177 Y HN -0.089 nan 8.280 nan 0.000 0.628 1178 R N 4.133 124.118 120.500 -0.858 0.000 2.625 1178 R HA 0.247 4.587 4.340 0.000 0.000 0.286 1178 R C -1.530 174.206 176.300 -0.940 0.000 1.406 1178 R CA -0.751 54.952 56.100 -0.663 0.000 1.052 1178 R CB 1.350 31.494 30.300 -0.259 0.000 1.203 1178 R HN 0.610 nan 8.270 nan 0.000 0.502 1179 V N 2.174 121.589 119.914 -0.830 0.000 2.971 1179 V HA -0.213 3.907 4.120 0.000 0.000 0.289 1179 V C 1.567 177.563 176.094 -0.163 0.000 1.298 1179 V CA 2.011 64.087 62.300 -0.375 0.000 1.374 1179 V CB -0.069 31.694 31.823 -0.099 0.000 0.823 1179 V HN 1.190 nan 8.190 nan 0.000 0.473 1180 G N 3.379 112.198 108.800 0.031 0.000 2.225 1180 G HA2 -0.253 3.707 3.960 0.000 0.000 0.254 1180 G HA3 -0.253 3.707 3.960 0.000 0.000 0.254 1180 G C 0.278 175.238 174.900 0.101 0.000 0.988 1180 G CA 0.118 45.272 45.100 0.091 0.000 0.625 1180 G HN 0.892 nan 8.290 nan 0.000 0.527 1181 T N 2.305 116.899 114.554 0.067 0.000 2.834 1181 T HA 0.435 4.785 4.350 0.000 0.000 0.298 1181 T C 1.017 175.842 174.700 0.209 0.000 0.966 1181 T CA 0.109 62.279 62.100 0.115 0.000 1.141 1181 T CB 1.171 70.080 68.868 0.069 0.000 0.905 1181 T HN 0.317 nan 8.240 nan 0.000 0.535 1182 N N 1.871 120.661 118.700 0.151 0.000 2.223 1182 N HA 0.234 4.974 4.740 0.000 0.000 0.258 1182 N C 0.884 176.451 175.510 0.095 0.000 1.251 1182 N CA -0.300 52.829 53.050 0.131 0.000 0.894 1182 N CB 0.355 38.915 38.487 0.122 0.000 1.204 1182 N HN 0.758 nan 8.380 nan 0.000 0.398 1183 D N -2.259 118.175 120.400 0.057 0.000 3.538 1183 D HA -0.090 4.550 4.640 0.000 0.000 0.543 1183 D C 1.404 177.704 176.300 -0.000 0.000 0.411 1183 D CA -0.117 53.900 54.000 0.028 0.000 0.983 1183 D CB -0.356 40.454 40.800 0.016 0.000 1.426 1183 D HN 0.099 nan 8.370 nan 0.000 0.238 1184 L N 1.172 122.390 121.223 -0.008 0.000 2.488 1184 L HA -0.275 4.065 4.340 0.000 0.000 0.235 1184 L C -0.816 176.018 176.870 -0.060 0.000 1.170 1184 L CA 3.694 58.505 54.840 -0.048 0.000 0.810 1184 L CB -2.660 39.345 42.059 -0.089 0.000 1.014 1184 L HN 0.210 nan 8.230 nan 0.000 0.417 1185 P HA -0.120 nan 4.420 nan 0.000 0.217 1185 P C 1.254 178.528 177.300 -0.044 0.000 1.151 1185 P CA 1.836 64.909 63.100 -0.045 0.000 0.849 1185 P CB 0.025 31.709 31.700 -0.028 0.000 0.787 1186 N N -1.894 116.782 118.700 -0.039 0.000 2.436 1186 N HA 0.037 4.777 4.740 0.000 0.000 0.178 1186 N C 0.722 176.198 175.510 -0.057 0.000 1.026 1186 N CA 0.452 53.476 53.050 -0.043 0.000 0.880 1186 N CB 0.421 38.891 38.487 -0.028 0.000 1.061 1186 N HN 0.069 nan 8.380 nan 0.000 0.434 1187 R N 0.768 121.231 120.500 -0.061 0.000 2.512 1187 R HA 0.322 4.662 4.340 0.000 0.000 0.291 1187 R C -1.251 174.981 176.300 -0.113 0.000 1.097 1187 R CA -0.379 55.670 56.100 -0.085 0.000 0.940 1187 R CB 0.883 31.144 30.300 -0.065 0.000 1.198 1187 R HN -0.074 nan 8.270 nan 0.000 0.429 1188 I N 4.652 125.116 120.570 -0.177 0.000 2.680 1188 I HA -0.016 4.154 4.170 0.000 0.000 0.286 1188 I C 0.317 176.286 176.117 -0.248 0.000 1.144 1188 I CA 0.736 61.888 61.300 -0.247 0.000 1.370 1188 I CB 0.768 38.477 38.000 -0.484 0.000 1.420 1188 I HN 0.572 nan 8.210 nan 0.000 0.540 1189 T N 6.868 121.317 114.554 -0.176 0.000 2.913 1189 T HA 0.177 4.527 4.350 0.000 0.000 0.297 1189 T C 1.175 175.719 174.700 -0.260 0.000 1.029 1189 T CA -0.577 61.406 62.100 -0.196 0.000 1.104 1189 T CB 1.686 70.497 68.868 -0.095 0.000 0.964 1189 T HN 0.306 nan 8.240 nan 0.000 0.532 1190 L N 0.920 121.883 121.223 -0.434 0.000 2.208 1190 L HA 0.219 4.559 4.340 0.000 0.000 0.196 1190 L C 0.879 177.642 176.870 -0.179 0.000 1.130 1190 L CA 1.057 55.616 54.840 -0.467 0.000 0.791 1190 L CB -1.162 40.215 42.059 -1.137 0.000 0.969 1190 L HN 0.653 nan 8.230 nan 0.000 0.468 1191 Y N 2.335 122.537 120.300 -0.163 0.000 2.620 1191 Y HA 0.099 4.649 4.550 0.000 0.000 0.352 1191 Y C 0.725 176.615 175.900 -0.017 0.000 1.140 1191 Y CA -0.227 57.935 58.100 0.104 0.000 1.529 1191 Y CB -0.351 38.359 38.460 0.417 0.000 1.321 1191 Y HN 0.231 nan 8.280 nan 0.000 0.501 1192 N N 1.228 119.751 118.700 -0.294 0.000 2.737 1192 N HA 0.326 5.066 4.740 0.000 0.000 0.292 1192 N C -0.881 174.504 175.510 -0.209 0.000 1.367 1192 N CA -0.114 52.818 53.050 -0.196 0.000 0.818 1192 N CB 0.436 38.896 38.487 -0.045 0.000 1.109 1192 N HN 0.262 nan 8.380 nan 0.000 0.466 1193 S N 0.609 116.300 115.700 -0.016 0.000 2.592 1193 S HA 0.300 4.770 4.470 0.000 0.000 0.151 1193 S C -0.636 173.984 174.600 0.033 0.000 1.280 1193 S CA -0.706 57.512 58.200 0.030 0.000 1.187 1193 S CB -0.996 62.334 63.200 0.217 0.000 1.471 1193 S HN 0.482 nan 8.310 nan 0.000 0.409 1194 L N 1.239 122.447 121.223 -0.025 0.000 2.470 1194 L HA 0.647 4.987 4.340 0.000 0.000 0.243 1194 L C -0.633 176.217 176.870 -0.033 0.000 1.227 1194 L CA -0.656 54.191 54.840 0.011 0.000 0.824 1194 L CB 0.246 42.299 42.059 -0.010 0.000 1.175 1194 L HN 0.545 nan 8.230 nan 0.000 0.503 1195 Y N 1.048 121.263 120.300 -0.143 0.000 2.658 1195 Y HA 0.372 4.922 4.550 0.000 0.000 0.362 1195 Y C -0.239 175.310 175.900 -0.586 0.000 1.017 1195 Y CA -0.913 56.997 58.100 -0.316 0.000 1.134 1195 Y CB 0.113 38.369 38.460 -0.341 0.000 1.144 1195 Y HN 0.534 nan 8.280 nan 0.000 0.655 1196 R N 2.290 122.624 120.500 -0.277 0.000 2.614 1196 R HA -0.125 4.215 4.340 0.000 0.000 0.335 1196 R C -0.992 175.119 176.300 -0.316 0.000 0.859 1196 R CA 0.753 56.722 56.100 -0.219 0.000 1.123 1196 R CB -0.529 29.716 30.300 -0.092 0.000 0.887 1196 R HN 0.474 nan 8.270 nan 0.000 0.407 1197 Y N 1.215 121.441 120.300 -0.123 0.000 2.374 1197 Y HA 0.200 4.750 4.550 0.000 0.000 0.322 1197 Y C 1.384 177.040 175.900 -0.406 0.000 1.275 1197 Y CA -0.535 57.326 58.100 -0.397 0.000 1.307 1197 Y CB 0.957 38.896 38.460 -0.869 0.000 1.282 1197 Y HN 0.386 nan 8.280 nan 0.000 0.509 1198 N N 1.328 119.827 118.700 -0.335 0.000 2.664 1198 N HA 0.160 4.900 4.740 0.000 0.000 0.287 1198 N C -1.713 173.707 175.510 -0.150 0.000 1.869 1198 N CA -0.211 52.734 53.050 -0.174 0.000 0.832 1198 N CB -0.068 38.380 38.487 -0.065 0.000 1.293 1198 N HN 0.311 nan 8.380 nan 0.000 0.498 1199 F N 1.018 120.951 119.950 -0.028 0.000 2.506 1199 F HA 0.205 4.732 4.527 0.000 0.000 0.351 1199 F C 1.788 177.237 175.800 -0.584 0.000 1.136 1199 F CA -0.440 57.392 58.000 -0.279 0.000 1.298 1199 F CB 0.364 39.173 39.000 -0.319 0.000 1.145 1199 F HN -0.020 nan 8.300 nan 0.000 0.593 1200 T N -0.466 113.816 114.554 -0.453 0.000 2.885 1200 T HA 0.592 4.942 4.350 0.000 0.000 0.285 1200 T C -1.208 172.978 174.700 -0.857 0.000 1.019 1200 T CA -0.712 61.068 62.100 -0.533 0.000 1.010 1200 T CB 0.909 69.668 68.868 -0.182 0.000 1.022 1200 T HN 0.328 nan 8.240 nan 0.000 0.466 1201 Y N 1.512 121.829 120.300 0.027 0.000 2.854 1201 Y HA 0.427 4.977 4.550 0.000 0.000 0.330 1201 Y C -2.370 173.561 175.900 0.052 0.000 1.037 1201 Y CA -2.552 55.547 58.100 -0.002 0.000 1.263 1201 Y CB 0.007 38.484 38.460 0.029 0.000 1.120 1201 Y HN 0.505 nan 8.280 nan 0.000 0.532 1202 P HA -0.026 nan 4.420 nan 0.000 0.264 1202 P C 0.138 177.605 177.300 0.279 0.000 1.183 1202 P CA 0.200 63.383 63.100 0.138 0.000 0.763 1202 P CB 0.775 32.526 31.700 0.084 0.000 0.807 1203 T N 4.259 118.937 114.554 0.207 0.000 3.064 1203 T HA 0.361 4.711 4.350 0.000 0.000 0.367 1203 T C -0.061 174.686 174.700 0.078 0.000 1.202 1203 T CA -0.785 61.412 62.100 0.161 0.000 1.133 1203 T CB -0.655 68.277 68.868 0.106 0.000 1.074 1203 T HN 0.148 nan 8.240 nan 0.000 0.519 1204 L N 4.367 125.629 121.223 0.066 0.000 2.543 1204 L HA 0.321 4.661 4.340 0.000 0.000 0.285 1204 L C 0.115 176.911 176.870 -0.124 0.000 1.236 1204 L CA 0.108 54.949 54.840 0.003 0.000 0.871 1204 L CB 0.117 42.177 42.059 0.001 0.000 1.121 1204 L HN 0.668 nan 8.230 nan 0.000 0.501 1205 D N 1.428 121.754 120.400 -0.123 0.000 2.474 1205 D HA 0.325 4.965 4.640 0.000 0.000 0.234 1205 D C -0.338 175.892 176.300 -0.117 0.000 1.323 1205 D CA -0.348 53.516 54.000 -0.227 0.000 0.915 1205 D CB 0.427 41.187 40.800 -0.066 0.000 1.487 1205 D HN 0.604 nan 8.370 nan 0.000 0.524 1206 G N 0.477 109.165 108.800 -0.187 0.000 2.705 1206 G HA2 0.687 4.647 3.960 0.000 0.000 0.299 1206 G HA3 0.687 4.647 3.960 0.000 0.000 0.299 1206 G C 0.057 175.137 174.900 0.300 0.000 1.315 1206 G CA -1.029 44.145 45.100 0.125 0.000 1.045 1206 G HN 0.386 nan 8.290 nan 0.000 0.517 1207 I N -0.237 120.439 120.570 0.176 0.000 2.612 1207 I HA 0.396 4.566 4.170 0.000 0.000 0.295 1207 I C -0.018 175.992 176.117 -0.179 0.000 1.011 1207 I CA -0.164 61.102 61.300 -0.056 0.000 1.326 1207 I CB 1.601 39.485 38.000 -0.194 0.000 1.427 1207 I HN 0.210 nan 8.210 nan 0.000 0.537 1208 M N 5.529 124.854 119.600 -0.459 0.000 2.060 1208 M HA 0.367 4.847 4.480 0.000 0.000 0.275 1208 M C -1.716 174.419 176.300 -0.276 0.000 0.919 1208 M CA -0.439 54.634 55.300 -0.379 0.000 0.970 1208 M CB 0.876 33.215 32.600 -0.436 0.000 1.670 1208 M HN 0.313 nan 8.290 nan 0.000 0.440 1209 Y N 2.706 123.112 120.300 0.176 0.000 2.304 1209 Y HA 0.511 5.061 4.550 0.000 0.000 0.328 1209 Y C 0.320 176.370 175.900 0.251 0.000 1.123 1209 Y CA -0.762 57.508 58.100 0.284 0.000 1.218 1209 Y CB 0.344 38.900 38.460 0.160 0.000 1.207 1209 Y HN 0.413 nan 8.280 nan 0.000 0.495 1210 V N 3.625 123.757 119.914 0.363 0.000 3.698 1210 V HA 0.154 4.274 4.120 0.000 0.000 0.280 1210 V C 1.441 177.573 176.094 0.063 0.000 0.995 1210 V CA -0.299 61.983 62.300 -0.029 0.000 1.000 1210 V CB 1.505 33.036 31.823 -0.487 0.000 1.248 1210 V HN 0.960 nan 8.190 nan 0.000 0.429 1211 R N 1.570 122.066 120.500 -0.007 0.000 2.127 1211 R HA 0.148 4.488 4.340 0.000 0.000 0.217 1211 R C 0.371 176.684 176.300 0.021 0.000 1.074 1211 R CA 1.252 57.357 56.100 0.008 0.000 0.991 1211 R CB -0.249 30.035 30.300 -0.027 0.000 0.895 1211 R HN 1.621 nan 8.270 nan 0.000 0.450 1212 S N -2.329 113.396 115.700 0.042 0.000 2.862 1212 S HA -0.058 4.412 4.470 0.000 0.000 0.843 1212 S C 0.792 175.341 174.600 -0.086 0.000 0.808 1212 S CA 0.338 58.612 58.200 0.123 0.000 1.515 1212 S CB -1.624 61.646 63.200 0.116 0.000 1.082 1212 S HN 0.820 nan 8.310 nan 0.000 0.447 1213 A N 4.406 127.041 122.820 -0.308 0.000 1.826 1213 A HA 0.091 4.411 4.320 0.000 0.000 0.267 1213 A C 1.641 179.151 177.584 -0.123 0.000 2.510 1213 A CA 3.630 55.500 52.037 -0.280 0.000 0.865 1213 A CB -1.876 17.064 19.000 -0.100 0.000 0.830 1213 A HN 2.945 nan 8.150 nan 0.000 0.508 1214 T N 0.000 114.525 114.554 -0.048 0.000 3.816 1214 T HA 0.000 4.350 4.350 0.000 0.000 0.228 1214 T CA 0.000 62.084 62.100 -0.027 0.000 1.349 1214 T CB 0.000 68.849 68.868 -0.031 0.000 0.612 1214 T HN 0.000 nan 8.240 nan 0.000 0.658