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 2r93_1_B DATA FIRST_RESID 19 DATA SEQUENCE EDESAPITAE DSWAVISAFF REKGLVSQQL DSFNQFVDYT LQDIICEDST DATA SEQUENCE LIXXXXXXXX XXXXXXXXXX XISFGKIYVT KPMVNESDGV THALYPQEAR DATA SEQUENCE LRNLTYSSGL FVDVKXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXKVFIG DATA SEQUENCE RLPIMLRSKN CYLSEATESD LYKLKECPFD MGGYFIINGS EKVLIAQERS DATA SEQUENCE AGNIVQVFKK AAPSPISHVA EIRSALEKGS RFISTLQVKL YGREGSSART DATA SEQUENCE IKATLPYIKQ DIPIVIIFRA LGIIPDGEIL EHICYDVNDW QMLEMLKPCV DATA SEQUENCE EDGFVIQDRE TALDFIGRRG TALGIKKEKR IQYAKDILQK EFLPHITQLE DATA SEQUENCE GFESRKAFFL GYMINRLLLC ALDRKDQDDR DHFGKKRLDL AGPLLAQLFK DATA SEQUENCE TLFKKLTKDI FRYMQRTVEX XXXXXXXLAI NAKTITSGLK YALATGNWGE DATA SEQUENCE QKKAMSSRAG VSQVLNRYTY SSTLSHLRRT NTPIXXXXXX XKPRQLHNTH DATA SEQUENCE WGLVCPAETP EGQACGLVKN LSLMSCISVG TDPMPIITFL SEWGMEPLED DATA SEQUENCE YVPHQSPDAT RVFVNGVWHG VHRNPARLME TLRTLRRKGD INPEVSMIRD DATA SEQUENCE IREKELKIFT DAGRVYRPLF IVEDDESLGH KELKVRKGHI AKLMATEYQD DATA SEQUENCE XXXXXXXXXE YTWSSLLNEG LVEYIDAEEE ESILIAMQPE DLEPAEAXXX DATA SEQUENCE XXXDVDPAKR IRVSHHATTF THCEIHPSMI LGVAASIIPF PDHNQSPRNT DATA SEQUENCE YQSAMGKQAM GVFLTNYNVR MDTMANILYY PQKPLGTTRA MEYLKFRELP DATA SEQUENCE AGQNAIVAIA CYSGYNQEDS MIMNQSSIDR GLFRSLFFRS YMDQEKKYGM DATA SEQUENCE SITETFEKPQ RTNTLRMKHG TYDKLDDDGL IAPGVRVSGE DVIIGKTTPX DATA SEQUENCE XXXXXXXXXX XXXXSKRDAS TPLRSTENGI VDQVLVTTNQ DGLKFVKVRV DATA SEQUENCE RTTKIPQIGD KFASRHGQKG TIGITYRRED MPFTAEGIVP DLIINPHAIP DATA SEQUENCE SRMTVAHLIE CLLSKVAALS GNEGDASPFT DITVEGISKL LREHGYQSRG DATA SEQUENCE FEVMYNGHTG KKLMAQIFFG PTYYQRLRHM VDDKIHARAR GPMQVLTRQP DATA SEQUENCE VEGRSRDGGL RFGEMERDCM IAHGAASFLK ERLMEASDAF RVHICGICGL DATA SEQUENCE MTVIAKLNHN QFECKGCDNK IDIYQIHIPY AAKLLFQELM AMNITPRLYT DATA SEQUENCE DRSRDF 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 19 E HA 0.000 nan 4.350 nan 0.000 0.291 19 E C 0.000 176.588 176.600 -0.019 0.000 1.382 19 E CA 0.000 56.391 56.400 -0.016 0.000 0.976 19 E CB 0.000 29.694 29.700 -0.009 0.000 0.812 20 D N 2.420 122.807 120.400 -0.022 0.000 2.174 20 D HA -0.126 4.515 4.640 0.001 0.000 0.215 20 D C 0.173 176.450 176.300 -0.039 0.000 1.021 20 D CA 1.282 55.268 54.000 -0.025 0.000 0.910 20 D CB -0.441 40.343 40.800 -0.027 0.000 1.142 20 D HN 0.182 nan 8.370 nan 0.000 0.473 21 E N 1.274 121.439 120.200 -0.058 0.000 2.829 21 E HA 0.091 4.441 4.350 0.001 0.000 0.264 21 E C 0.165 176.721 176.600 -0.074 0.000 0.922 21 E CA 0.395 56.740 56.400 -0.092 0.000 0.960 21 E CB -0.121 29.518 29.700 -0.101 0.000 0.918 21 E HN 0.374 nan 8.360 nan 0.000 0.497 22 S N 0.504 116.154 115.700 -0.084 0.000 3.459 22 S HA -0.007 4.463 4.470 0.001 0.000 0.622 22 S C -0.337 174.244 174.600 -0.031 0.000 0.790 22 S CA 0.027 58.199 58.200 -0.046 0.000 1.329 22 S CB -1.361 61.813 63.200 -0.044 0.000 1.315 22 S HN 1.337 nan 8.310 nan 0.000 0.683 23 A N 3.574 126.380 122.820 -0.023 0.000 2.490 23 A HA 0.906 5.226 4.320 0.001 0.000 0.292 23 A C -2.989 174.583 177.584 -0.020 0.000 1.047 23 A CA -0.715 51.311 52.037 -0.018 0.000 0.632 23 A CB 0.209 19.201 19.000 -0.013 0.000 1.323 23 A HN 0.772 nan 8.150 nan 0.000 0.448 24 P HA 0.478 nan 4.420 nan 0.000 0.272 24 P C -0.772 176.518 177.300 -0.017 0.000 1.248 24 P CA 0.288 63.377 63.100 -0.020 0.000 0.799 24 P CB 0.292 31.988 31.700 -0.007 0.000 0.997 25 I N -0.420 120.137 120.570 -0.022 0.000 2.503 25 I HA 0.188 4.358 4.170 0.001 0.000 0.282 25 I C 1.095 177.221 176.117 0.015 0.000 1.059 25 I CA -0.683 60.612 61.300 -0.008 0.000 1.081 25 I CB 1.509 39.480 38.000 -0.048 0.000 1.210 25 I HN 0.272 nan 8.210 nan 0.000 0.450 26 T N 1.753 116.326 114.554 0.031 0.000 2.715 26 T HA 0.400 4.751 4.350 0.001 0.000 0.320 26 T C 1.475 176.208 174.700 0.055 0.000 1.046 26 T CA 0.175 62.300 62.100 0.042 0.000 0.983 26 T CB 0.895 69.791 68.868 0.048 0.000 1.183 26 T HN 0.549 nan 8.240 nan 0.000 0.522 27 A N 0.322 123.179 122.820 0.062 0.000 1.829 27 A HA -0.081 4.239 4.320 0.001 0.000 0.216 27 A C 2.233 179.833 177.584 0.027 0.000 1.207 27 A CA 1.994 54.065 52.037 0.058 0.000 0.622 27 A CB -1.618 17.441 19.000 0.098 0.000 0.846 27 A HN 0.979 nan 8.150 nan 0.000 0.447 28 E N 0.439 120.698 120.200 0.099 0.000 2.370 28 E HA -0.242 4.108 4.350 0.001 0.000 0.205 28 E C 1.347 178.050 176.600 0.172 0.000 1.037 28 E CA 1.727 58.237 56.400 0.183 0.000 0.845 28 E CB -0.336 29.477 29.700 0.189 0.000 0.753 28 E HN 0.613 nan 8.360 nan 0.000 0.507 29 D N -0.869 119.593 120.400 0.104 0.000 2.097 29 D HA -0.106 4.534 4.640 0.001 0.000 0.197 29 D C 1.880 178.253 176.300 0.121 0.000 0.984 29 D CA 1.375 55.449 54.000 0.123 0.000 0.826 29 D CB -0.294 40.564 40.800 0.097 0.000 0.973 29 D HN 0.157 nan 8.370 nan 0.000 0.460 30 S N 0.738 116.449 115.700 0.018 0.000 2.426 30 S HA -0.268 4.202 4.470 0.001 0.000 0.253 30 S C 1.775 176.351 174.600 -0.039 0.000 1.104 30 S CA 1.689 59.851 58.200 -0.064 0.000 1.158 30 S CB -1.036 61.922 63.200 -0.404 0.000 1.043 30 S HN 0.466 nan 8.310 nan 0.000 0.443 31 W N 1.470 122.839 121.300 0.115 0.000 2.304 31 W HA -0.228 4.432 4.660 0.001 0.000 0.315 31 W C 2.852 179.507 176.519 0.226 0.000 1.233 31 W CA 0.599 58.038 57.345 0.158 0.000 1.261 31 W CB -0.607 28.933 29.460 0.134 0.000 1.150 31 W HN 0.388 nan 8.180 nan 0.000 0.494 32 A N 0.103 123.173 122.820 0.417 0.000 1.940 32 A HA -0.204 4.117 4.320 0.001 0.000 0.219 32 A C 1.920 179.703 177.584 0.331 0.000 1.176 32 A CA 2.322 54.562 52.037 0.338 0.000 0.631 32 A CB -1.125 18.028 19.000 0.255 0.000 0.814 32 A HN 0.143 nan 8.150 nan 0.000 0.446 33 V N 0.286 120.393 119.914 0.322 0.000 2.270 33 V HA -0.271 3.849 4.120 0.001 0.000 0.245 33 V C 2.404 178.729 176.094 0.386 0.000 1.043 33 V CA 1.932 64.447 62.300 0.359 0.000 1.014 33 V CB -0.883 31.191 31.823 0.419 0.000 0.645 33 V HN 0.571 nan 8.190 nan 0.000 0.447 34 I N 0.281 121.035 120.570 0.305 0.000 2.151 34 I HA -0.283 3.888 4.170 0.001 0.000 0.243 34 I C 2.736 178.974 176.117 0.201 0.000 1.080 34 I CA 1.833 63.232 61.300 0.165 0.000 1.339 34 I CB -0.582 37.545 38.000 0.213 0.000 1.039 34 I HN 0.270 nan 8.210 nan 0.000 0.409 35 S N 0.583 116.583 115.700 0.500 0.000 2.368 35 S HA -0.282 4.189 4.470 0.001 0.000 0.226 35 S C 2.221 177.079 174.600 0.429 0.000 1.044 35 S CA 1.723 60.328 58.200 0.675 0.000 1.062 35 S CB -0.436 63.070 63.200 0.510 0.000 0.931 35 S HN 0.587 nan 8.310 nan 0.000 0.440 36 A N 0.862 123.896 122.820 0.356 0.000 1.978 36 A HA -0.106 4.215 4.320 0.001 0.000 0.220 36 A C 1.836 179.609 177.584 0.314 0.000 1.170 36 A CA 1.380 53.621 52.037 0.339 0.000 0.636 36 A CB -0.744 18.471 19.000 0.359 0.000 0.810 36 A HN 0.506 nan 8.150 nan 0.000 0.448 37 F N 0.260 120.129 119.950 -0.135 0.000 2.014 37 F HA -0.142 4.386 4.527 0.001 0.000 0.295 37 F C 1.973 177.458 175.800 -0.524 0.000 1.145 37 F CA 1.228 58.748 58.000 -0.800 0.000 1.178 37 F CB -1.371 36.865 39.000 -1.273 0.000 0.972 37 F HN 0.285 nan 8.300 nan 0.000 0.476 38 F N 0.614 120.555 119.950 -0.015 0.000 2.250 38 F HA -0.170 4.358 4.527 0.001 0.000 0.301 38 F C 2.523 178.367 175.800 0.074 0.000 1.077 38 F CA 1.070 59.013 58.000 -0.095 0.000 1.348 38 F CB -0.580 38.393 39.000 -0.044 0.000 1.040 38 F HN -0.049 nan 8.300 nan 0.000 0.509 39 R N 0.306 120.983 120.500 0.295 0.000 2.094 39 R HA -0.238 4.103 4.340 0.001 0.000 0.239 39 R C 2.146 178.562 176.300 0.193 0.000 1.137 39 R CA 2.041 58.283 56.100 0.237 0.000 0.943 39 R CB -0.544 29.894 30.300 0.230 0.000 0.850 39 R HN 0.385 nan 8.270 nan 0.000 0.433 40 E N 0.063 120.381 120.200 0.196 0.000 2.250 40 E HA -0.072 4.279 4.350 0.001 0.000 0.192 40 E C 1.460 178.156 176.600 0.160 0.000 0.986 40 E CA 0.521 57.030 56.400 0.181 0.000 0.849 40 E CB 0.423 30.259 29.700 0.227 0.000 0.797 40 E HN 0.107 nan 8.360 nan 0.000 0.482 41 K N -0.018 120.475 120.400 0.155 0.000 2.244 41 K HA 0.150 4.471 4.320 0.001 0.000 0.200 41 K C 0.907 177.569 176.600 0.103 0.000 1.052 41 K CA 0.819 57.188 56.287 0.136 0.000 0.980 41 K CB 0.546 33.165 32.500 0.197 0.000 0.838 41 K HN 0.221 nan 8.250 nan 0.000 0.481 42 G N 1.225 110.109 108.800 0.139 0.000 2.860 42 G HA2 -0.262 3.699 3.960 0.001 0.000 0.553 42 G HA3 -0.262 3.699 3.960 0.001 0.000 0.553 42 G C 0.472 175.414 174.900 0.069 0.000 1.439 42 G CA -0.266 44.904 45.100 0.118 0.000 0.879 42 G HN 0.145 nan 8.290 nan 0.000 0.545 43 L N 0.428 121.642 121.223 -0.016 0.000 2.270 43 L HA 0.024 4.364 4.340 0.001 0.000 0.210 43 L C 2.967 179.807 176.870 -0.051 0.000 1.104 43 L CA 1.324 56.112 54.840 -0.087 0.000 0.804 43 L CB -0.460 41.507 42.059 -0.154 0.000 0.937 43 L HN 0.723 nan 8.230 nan 0.000 0.450 44 V N -3.463 116.438 119.914 -0.021 0.000 3.041 44 V HA -0.120 4.001 4.120 0.001 0.000 0.260 44 V C 2.353 178.443 176.094 -0.007 0.000 1.105 44 V CA 0.730 63.019 62.300 -0.017 0.000 1.125 44 V CB -0.770 31.048 31.823 -0.007 0.000 0.730 44 V HN 0.564 nan 8.190 nan 0.000 0.479 45 S N 2.938 118.642 115.700 0.008 0.000 2.068 45 S HA -0.590 3.881 4.470 0.001 0.000 0.498 45 S C 1.917 176.528 174.600 0.019 0.000 0.963 45 S CA 3.253 61.468 58.200 0.025 0.000 3.049 45 S CB -1.705 61.510 63.200 0.024 0.000 2.163 45 S HN 0.918 nan 8.310 nan 0.000 0.541 46 Q N 0.528 120.324 119.800 -0.007 0.000 2.062 46 Q HA -0.359 3.981 4.340 0.001 0.000 0.216 46 Q C 2.242 178.254 176.000 0.020 0.000 1.052 46 Q CA 2.068 57.863 55.803 -0.013 0.000 0.910 46 Q CB -0.911 27.802 28.738 -0.042 0.000 1.043 46 Q HN 0.698 nan 8.270 nan 0.000 0.425 47 Q N 0.545 120.353 119.800 0.014 0.000 2.096 47 Q HA -0.138 4.203 4.340 0.001 0.000 0.208 47 Q C 2.313 178.353 176.000 0.067 0.000 0.993 47 Q CA 1.768 57.591 55.803 0.033 0.000 0.862 47 Q CB -0.365 28.375 28.738 0.004 0.000 0.915 47 Q HN 0.524 nan 8.270 nan 0.000 0.416 48 L N 0.639 121.892 121.223 0.050 0.000 1.938 48 L HA -0.212 4.129 4.340 0.001 0.000 0.212 48 L C 2.111 179.054 176.870 0.123 0.000 1.085 48 L CA 1.269 56.158 54.840 0.082 0.000 0.760 48 L CB -0.933 41.156 42.059 0.050 0.000 0.888 48 L HN 0.168 nan 8.230 nan 0.000 0.433 49 D N -0.146 120.305 120.400 0.086 0.000 2.347 49 D HA -0.300 4.340 4.640 0.001 0.000 0.189 49 D C 2.219 178.569 176.300 0.084 0.000 1.020 49 D CA 2.187 56.233 54.000 0.075 0.000 0.875 49 D CB -0.302 40.541 40.800 0.072 0.000 0.928 49 D HN 0.256 nan 8.370 nan 0.000 0.454 50 S N -0.662 115.103 115.700 0.108 0.000 2.370 50 S HA -0.190 4.281 4.470 0.001 0.000 0.226 50 S C 1.775 176.502 174.600 0.212 0.000 1.033 50 S CA 0.869 59.148 58.200 0.132 0.000 1.011 50 S CB -0.404 62.869 63.200 0.122 0.000 0.852 50 S HN 0.252 nan 8.310 nan 0.000 0.457 51 F N 2.962 122.965 119.950 0.087 0.000 2.186 51 F HA -0.003 4.525 4.527 0.001 0.000 0.299 51 F C 2.018 177.910 175.800 0.152 0.000 1.090 51 F CA 1.381 59.459 58.000 0.131 0.000 1.307 51 F CB -0.668 38.373 39.000 0.069 0.000 1.019 51 F HN 0.243 nan 8.300 nan 0.000 0.489 52 N N 0.443 119.148 118.700 0.007 0.000 2.039 52 N HA -0.232 4.508 4.740 0.001 0.000 0.193 52 N C 1.874 177.309 175.510 -0.125 0.000 1.044 52 N CA 1.530 54.512 53.050 -0.113 0.000 0.847 52 N CB -0.973 37.495 38.487 -0.032 0.000 1.030 52 N HN 0.303 nan 8.380 nan 0.000 0.422 53 Q N 0.475 120.223 119.800 -0.086 0.000 2.217 53 Q HA -0.149 4.191 4.340 0.001 0.000 0.209 53 Q C 1.783 177.745 176.000 -0.063 0.000 0.988 53 Q CA 1.267 56.979 55.803 -0.152 0.000 0.878 53 Q CB -0.525 28.150 28.738 -0.106 0.000 0.909 53 Q HN 0.423 nan 8.270 nan 0.000 0.424 54 F N -1.081 118.790 119.950 -0.131 0.000 2.128 54 F HA -0.098 4.430 4.527 0.001 0.000 0.295 54 F C 1.654 177.349 175.800 -0.176 0.000 1.100 54 F CA 1.321 59.253 58.000 -0.113 0.000 1.260 54 F CB -0.434 38.510 39.000 -0.094 0.000 1.009 54 F HN -0.029 nan 8.300 nan 0.000 0.476 55 V N 0.977 120.645 119.914 -0.409 0.000 2.221 55 V HA -0.287 3.833 4.120 0.001 0.000 0.242 55 V C 2.237 178.145 176.094 -0.310 0.000 1.041 55 V CA 2.162 64.178 62.300 -0.473 0.000 0.995 55 V CB -0.881 30.695 31.823 -0.410 0.000 0.635 55 V HN 0.255 nan 8.190 nan 0.000 0.448 56 D N -0.867 119.454 120.400 -0.132 0.000 2.205 56 D HA -0.212 4.429 4.640 0.001 0.000 0.190 56 D C 1.974 178.362 176.300 0.146 0.000 1.002 56 D CA 2.366 56.407 54.000 0.067 0.000 0.848 56 D CB -0.334 40.651 40.800 0.308 0.000 0.975 56 D HN 0.492 nan 8.370 nan 0.000 0.449 57 Y N 0.822 121.022 120.300 -0.168 0.000 2.362 57 Y HA 0.012 4.563 4.550 0.001 0.000 0.258 57 Y C 2.838 178.630 175.900 -0.180 0.000 1.048 57 Y CA 0.626 58.645 58.100 -0.134 0.000 1.070 57 Y CB -1.304 37.113 38.460 -0.072 0.000 1.028 57 Y HN -0.092 nan 8.280 nan 0.000 0.475 58 T N 1.733 116.308 114.554 0.035 0.000 2.684 58 T HA -0.318 4.033 4.350 0.001 0.000 0.259 58 T C 1.942 176.505 174.700 -0.230 0.000 1.086 58 T CA 2.237 64.294 62.100 -0.071 0.000 1.155 58 T CB -0.968 67.883 68.868 -0.029 0.000 0.848 58 T HN 0.187 nan 8.240 nan 0.000 0.464 59 L N 0.813 121.700 121.223 -0.561 0.000 2.079 59 L HA -0.106 4.234 4.340 0.001 0.000 0.210 59 L C 2.547 179.292 176.870 -0.209 0.000 1.081 59 L CA 1.907 56.401 54.840 -0.577 0.000 0.752 59 L CB -0.805 40.765 42.059 -0.814 0.000 0.896 59 L HN 0.223 nan 8.230 nan 0.000 0.433 60 Q N -0.277 119.418 119.800 -0.176 0.000 1.990 60 Q HA -0.207 4.133 4.340 0.001 0.000 0.200 60 Q C 1.810 177.781 176.000 -0.049 0.000 0.980 60 Q CA 2.239 57.979 55.803 -0.105 0.000 0.832 60 Q CB -0.330 28.341 28.738 -0.112 0.000 0.897 60 Q HN 0.542 nan 8.270 nan 0.000 0.427 61 D N -0.239 120.142 120.400 -0.031 0.000 2.203 61 D HA -0.181 4.459 4.640 0.001 0.000 0.199 61 D C 1.605 177.924 176.300 0.033 0.000 0.997 61 D CA 1.494 55.499 54.000 0.009 0.000 0.863 61 D CB -0.107 40.709 40.800 0.027 0.000 0.928 61 D HN 0.387 nan 8.370 nan 0.000 0.458 62 I N -0.251 120.338 120.570 0.033 0.000 2.500 62 I HA -0.127 4.044 4.170 0.001 0.000 0.252 62 I C 1.920 178.060 176.117 0.038 0.000 1.142 62 I CA 0.261 61.596 61.300 0.058 0.000 1.451 62 I CB -0.007 38.056 38.000 0.105 0.000 1.093 62 I HN -0.025 nan 8.210 nan 0.000 0.430 63 I N 0.250 120.785 120.570 -0.058 0.000 2.916 63 I HA -0.146 4.024 4.170 0.001 0.000 0.267 63 I C 0.469 176.687 176.117 0.169 0.000 1.263 63 I CA 0.818 62.038 61.300 -0.133 0.000 1.471 63 I CB -0.213 37.672 38.000 -0.192 0.000 1.089 63 I HN 0.201 nan 8.210 nan 0.000 0.468 64 C N 1.306 120.685 119.300 0.131 0.000 2.344 64 C HA 0.529 4.990 4.460 0.001 0.000 0.326 64 C C 0.732 175.782 174.990 0.100 0.000 1.201 64 C CA -0.159 58.943 59.018 0.140 0.000 1.410 64 C CB -0.215 27.582 27.740 0.095 0.000 2.070 64 C HN 0.683 nan 8.230 nan 0.000 0.445 65 E N 1.680 121.939 120.200 0.098 0.000 2.793 65 E HA -0.019 4.331 4.350 0.001 0.000 0.289 65 E C -0.258 176.355 176.600 0.023 0.000 1.106 65 E CA -0.079 56.348 56.400 0.046 0.000 2.106 65 E CB -0.423 29.294 29.700 0.029 0.000 2.139 65 E HN 0.448 nan 8.360 nan 0.000 1.086 66 D N 2.369 122.766 120.400 -0.006 0.000 2.525 66 D HA 0.107 4.747 4.640 0.001 0.000 0.229 66 D C 1.081 177.360 176.300 -0.036 0.000 1.202 66 D CA 0.587 54.562 54.000 -0.043 0.000 0.828 66 D CB 0.824 41.566 40.800 -0.096 0.000 1.008 66 D HN 0.244 nan 8.370 nan 0.000 0.493 67 S N 0.614 116.349 115.700 0.058 0.000 2.354 67 S HA -0.142 4.329 4.470 0.001 0.000 0.219 67 S C 1.195 175.917 174.600 0.203 0.000 1.035 67 S CA 0.746 59.066 58.200 0.201 0.000 1.037 67 S CB -1.408 62.035 63.200 0.405 0.000 0.956 67 S HN 0.280 nan 8.310 nan 0.000 0.428 68 T N 3.200 117.816 114.554 0.103 0.000 2.939 68 T HA 0.361 4.711 4.350 0.001 0.000 0.319 68 T C -0.157 174.548 174.700 0.009 0.000 1.082 68 T CA 0.308 62.407 62.100 -0.002 0.000 1.133 68 T CB 0.020 68.885 68.868 -0.005 0.000 1.019 68 T HN 0.271 nan 8.240 nan 0.000 0.548 69 L N 2.201 123.431 121.223 0.011 0.000 2.354 69 L HA 0.559 4.899 4.340 0.001 0.000 0.264 69 L C 0.462 177.419 176.870 0.145 0.000 1.008 69 L CA -1.204 53.712 54.840 0.126 0.000 0.819 69 L CB 1.799 43.999 42.059 0.235 0.000 1.339 69 L HN 0.564 nan 8.230 nan 0.000 0.420 91 S N 3.963 119.448 115.700 -0.358 0.000 2.689 91 S HA 0.870 5.340 4.470 0.001 0.000 0.306 91 S C -1.046 173.243 174.600 -0.519 0.000 1.104 91 S CA -0.743 57.241 58.200 -0.359 0.000 0.973 91 S CB 2.102 65.232 63.200 -0.117 0.000 1.121 91 S HN 0.379 nan 8.310 nan 0.000 0.523 92 F N 0.005 120.002 119.950 0.080 0.000 2.518 92 F HA 0.678 5.206 4.527 0.001 0.000 0.323 92 F C 0.956 176.804 175.800 0.079 0.000 1.129 92 F CA -0.669 57.389 58.000 0.097 0.000 0.920 92 F CB 2.142 41.230 39.000 0.147 0.000 1.160 92 F HN 0.964 nan 8.300 nan 0.000 0.440 93 G N 1.912 110.868 108.800 0.259 0.000 2.849 93 G HA2 0.269 4.229 3.960 0.001 0.000 0.174 93 G HA3 0.269 4.229 3.960 0.001 0.000 0.174 93 G C -0.592 174.398 174.900 0.150 0.000 1.370 93 G CA -0.738 44.461 45.100 0.166 0.000 1.040 93 G HN 0.544 nan 8.290 nan 0.000 0.582 94 K N -0.745 119.722 120.400 0.110 0.000 2.402 94 K HA 0.170 4.491 4.320 0.001 0.000 0.265 94 K C -0.666 175.996 176.600 0.103 0.000 0.978 94 K CA 0.133 56.447 56.287 0.045 0.000 0.913 94 K CB 0.255 32.740 32.500 -0.025 0.000 0.954 94 K HN 0.329 nan 8.250 nan 0.000 0.511 95 I N 1.819 122.380 120.570 -0.015 0.000 2.647 95 I HA 0.263 4.434 4.170 0.001 0.000 0.295 95 I C -1.626 174.457 176.117 -0.056 0.000 1.078 95 I CA -1.043 60.301 61.300 0.073 0.000 1.048 95 I CB 1.173 39.169 38.000 -0.006 0.000 1.239 95 I HN 0.535 nan 8.210 nan 0.000 0.421 96 Y N 5.866 126.192 120.300 0.043 0.000 2.331 96 Y HA 0.419 4.969 4.550 0.001 0.000 0.338 96 Y C -0.060 175.779 175.900 -0.101 0.000 0.976 96 Y CA -0.795 57.315 58.100 0.016 0.000 1.137 96 Y CB 1.744 40.291 38.460 0.146 0.000 1.172 96 Y HN 0.167 nan 8.280 nan 0.000 0.478 97 V N 4.416 124.301 119.914 -0.048 0.000 2.284 97 V HA 0.175 4.296 4.120 0.001 0.000 0.260 97 V C 0.289 176.310 176.094 -0.122 0.000 1.084 97 V CA -0.690 61.538 62.300 -0.120 0.000 0.894 97 V CB -0.061 31.674 31.823 -0.146 0.000 1.119 97 V HN 0.894 nan 8.190 nan 0.000 0.484 98 T N 2.508 116.950 114.554 -0.187 0.000 2.913 98 T HA 0.473 4.824 4.350 0.001 0.000 0.287 98 T C 0.043 174.650 174.700 -0.155 0.000 1.008 98 T CA -0.763 61.232 62.100 -0.175 0.000 1.067 98 T CB 1.227 69.930 68.868 -0.274 0.000 0.996 98 T HN 0.505 nan 8.240 nan 0.000 0.513 99 K N 1.918 122.233 120.400 -0.143 0.000 2.120 99 K HA 0.314 4.634 4.320 0.001 0.000 0.245 99 K C -2.488 174.075 176.600 -0.061 0.000 1.024 99 K CA -1.798 54.396 56.287 -0.156 0.000 0.906 99 K CB -0.187 32.116 32.500 -0.328 0.000 1.051 99 K HN 0.404 nan 8.250 nan 0.000 0.491 100 P HA -0.095 nan 4.420 nan 0.000 0.263 100 P C -0.669 176.653 177.300 0.037 0.000 1.168 100 P CA 1.131 64.188 63.100 -0.072 0.000 0.759 100 P CB 0.462 32.019 31.700 -0.238 0.000 0.782 101 M N 1.175 120.779 119.600 0.006 0.000 3.223 101 M HA 0.523 5.004 4.480 0.001 0.000 0.282 101 M C -1.312 175.008 176.300 0.034 0.000 1.346 101 M CA -0.993 54.334 55.300 0.044 0.000 0.789 101 M CB 2.058 34.675 32.600 0.027 0.000 1.724 101 M HN -0.185 nan 8.290 nan 0.000 0.447 102 V N 1.479 121.406 119.914 0.022 0.000 2.624 102 V HA 0.292 4.413 4.120 0.001 0.000 0.294 102 V C -1.528 174.520 176.094 -0.076 0.000 1.077 102 V CA -0.676 61.609 62.300 -0.026 0.000 0.905 102 V CB 1.768 33.563 31.823 -0.047 0.000 1.025 102 V HN 0.798 nan 8.190 nan 0.000 0.440 103 N N 4.203 122.865 118.700 -0.064 0.000 2.485 103 N HA 0.469 5.210 4.740 0.001 0.000 0.243 103 N C -0.596 174.871 175.510 -0.073 0.000 0.987 103 N CA -0.371 52.635 53.050 -0.073 0.000 0.940 103 N CB 0.808 39.253 38.487 -0.070 0.000 1.122 103 N HN 0.822 nan 8.380 nan 0.000 0.509 104 E N 1.019 121.162 120.200 -0.094 0.000 2.256 104 E HA 0.384 4.735 4.350 0.001 0.000 0.268 104 E C -0.678 175.888 176.600 -0.058 0.000 0.877 104 E CA -1.063 55.288 56.400 -0.082 0.000 0.757 104 E CB 0.978 30.604 29.700 -0.123 0.000 1.183 104 E HN 0.450 nan 8.360 nan 0.000 0.418 105 S N 2.356 118.035 115.700 -0.035 0.000 2.559 105 S HA -0.035 4.436 4.470 0.001 0.000 0.282 105 S C 0.495 175.085 174.600 -0.016 0.000 1.336 105 S CA -0.037 58.151 58.200 -0.020 0.000 1.037 105 S CB 0.231 63.425 63.200 -0.010 0.000 0.853 105 S HN 0.801 nan 8.310 nan 0.000 0.523 106 D N -0.054 120.343 120.400 -0.006 0.000 2.945 106 D HA -0.110 4.531 4.640 0.001 0.000 0.225 106 D C 0.183 176.484 176.300 0.003 0.000 1.158 106 D CA 1.741 55.743 54.000 0.003 0.000 0.805 106 D CB -1.365 39.441 40.800 0.010 0.000 1.098 106 D HN 1.075 nan 8.370 nan 0.000 0.426 107 G N -2.369 106.425 108.800 -0.010 0.000 2.646 107 G HA2 0.516 4.476 3.960 0.001 0.000 0.291 107 G HA3 0.516 4.476 3.960 0.001 0.000 0.291 107 G C 0.538 175.429 174.900 -0.015 0.000 1.445 107 G CA -0.079 45.014 45.100 -0.011 0.000 0.814 107 G HN 0.023 nan 8.290 nan 0.000 0.495 108 V N -0.155 119.764 119.914 0.009 0.000 2.337 108 V HA 0.457 4.578 4.120 0.001 0.000 0.182 108 V C 1.019 177.111 176.094 -0.003 0.000 1.020 108 V CA 0.975 63.285 62.300 0.017 0.000 1.223 108 V CB -0.185 31.671 31.823 0.054 0.000 0.750 108 V HN 0.776 nan 8.190 nan 0.000 0.463 109 T N -0.075 114.501 114.554 0.037 0.000 3.505 109 T HA 0.280 4.630 4.350 0.001 0.000 0.308 109 T C -0.599 174.181 174.700 0.134 0.000 0.767 109 T CA -0.444 61.674 62.100 0.030 0.000 1.194 109 T CB -0.111 68.770 68.868 0.021 0.000 0.997 109 T HN 0.529 nan 8.240 nan 0.000 0.504 110 H N 1.093 120.188 119.070 0.041 0.000 3.025 110 H HA 0.262 4.818 4.556 0.001 0.000 0.365 110 H C 0.892 176.268 175.328 0.080 0.000 1.204 110 H CA -0.283 55.800 56.048 0.059 0.000 1.406 110 H CB 0.588 30.384 29.762 0.058 0.000 1.355 110 H HN 0.648 nan 8.280 nan 0.000 0.610 111 A N 3.421 126.383 122.820 0.236 0.000 2.736 111 A HA 0.205 4.525 4.320 0.001 0.000 0.335 111 A C -0.345 177.373 177.584 0.222 0.000 1.446 111 A CA -0.530 51.641 52.037 0.224 0.000 1.028 111 A CB -0.317 18.840 19.000 0.261 0.000 1.154 111 A HN 0.393 nan 8.150 nan 0.000 0.507 112 L N 2.283 123.590 121.223 0.141 0.000 2.456 112 L HA 0.390 4.731 4.340 0.001 0.000 0.272 112 L C -0.823 175.980 176.870 -0.111 0.000 1.189 112 L CA 0.677 55.587 54.840 0.117 0.000 0.846 112 L CB -0.157 41.973 42.059 0.119 0.000 1.111 112 L HN 0.572 nan 8.230 nan 0.000 0.475 113 Y N 4.905 125.140 120.300 -0.109 0.000 2.602 113 Y HA 0.471 5.021 4.550 0.001 0.000 0.342 113 Y C -1.641 174.238 175.900 -0.034 0.000 1.029 113 Y CA -1.728 56.287 58.100 -0.142 0.000 1.080 113 Y CB 1.002 39.344 38.460 -0.197 0.000 1.284 113 Y HN 0.507 nan 8.280 nan 0.000 0.485 114 P HA -0.244 nan 4.420 nan 0.000 0.211 114 P C 1.214 178.458 177.300 -0.094 0.000 1.179 114 P CA 1.816 64.687 63.100 -0.381 0.000 0.910 114 P CB 0.353 31.753 31.700 -0.502 0.000 0.785 115 Q N 0.577 120.362 119.800 -0.025 0.000 2.344 115 Q HA -0.234 4.107 4.340 0.001 0.000 0.212 115 Q C 2.110 178.130 176.000 0.034 0.000 0.991 115 Q CA 2.078 57.887 55.803 0.009 0.000 0.897 115 Q CB -0.886 27.855 28.738 0.005 0.000 0.915 115 Q HN 0.470 nan 8.270 nan 0.000 0.438 116 E N -1.640 118.594 120.200 0.057 0.000 2.057 116 E HA 0.007 4.357 4.350 0.001 0.000 0.190 116 E C 1.769 178.423 176.600 0.090 0.000 0.969 116 E CA 0.671 57.118 56.400 0.079 0.000 0.812 116 E CB -0.301 29.459 29.700 0.100 0.000 0.777 116 E HN 0.377 nan 8.360 nan 0.000 0.455 117 A N 1.548 124.428 122.820 0.099 0.000 2.084 117 A HA -0.223 4.097 4.320 0.001 0.000 0.221 117 A C 2.083 179.713 177.584 0.078 0.000 1.161 117 A CA 1.408 53.505 52.037 0.099 0.000 0.653 117 A CB -0.551 18.538 19.000 0.149 0.000 0.802 117 A HN 0.193 nan 8.150 nan 0.000 0.457 118 R N -0.842 119.699 120.500 0.068 0.000 2.075 118 R HA 0.073 4.414 4.340 0.001 0.000 0.226 118 R C 1.929 178.291 176.300 0.104 0.000 1.114 118 R CA 1.230 57.373 56.100 0.073 0.000 0.972 118 R CB -0.399 29.935 30.300 0.057 0.000 0.869 118 R HN 0.527 nan 8.270 nan 0.000 0.437 119 L N 0.081 121.373 121.223 0.115 0.000 2.162 119 L HA -0.008 4.333 4.340 0.001 0.000 0.205 119 L C 1.994 179.022 176.870 0.263 0.000 1.086 119 L CA 0.986 55.923 54.840 0.163 0.000 0.778 119 L CB -0.198 41.938 42.059 0.129 0.000 0.928 119 L HN 0.082 nan 8.230 nan 0.000 0.446 120 R N 0.325 120.932 120.500 0.178 0.000 2.334 120 R HA 0.095 4.435 4.340 0.001 0.000 0.220 120 R C -0.179 176.033 176.300 -0.146 0.000 0.917 120 R CA -0.075 56.091 56.100 0.110 0.000 1.073 120 R CB -0.226 30.116 30.300 0.071 0.000 1.056 120 R HN 0.388 nan 8.270 nan 0.000 0.506 121 N N 1.153 119.834 118.700 -0.033 0.000 2.714 121 N HA -0.188 4.553 4.740 0.001 0.000 0.253 121 N C -0.957 174.484 175.510 -0.115 0.000 1.024 121 N CA -0.020 52.971 53.050 -0.098 0.000 0.726 121 N CB -0.699 37.636 38.487 -0.252 0.000 0.908 121 N HN 0.186 nan 8.380 nan 0.000 0.542 122 L N -0.561 120.646 121.223 -0.028 0.000 2.298 122 L HA 0.559 4.900 4.340 0.001 0.000 0.268 122 L C 0.597 177.501 176.870 0.056 0.000 1.010 122 L CA -0.775 54.065 54.840 -0.000 0.000 0.812 122 L CB 1.585 43.659 42.059 0.025 0.000 1.331 122 L HN -0.076 nan 8.230 nan 0.000 0.450 123 T N -0.403 114.194 114.554 0.072 0.000 2.770 123 T HA 0.158 4.508 4.350 0.001 0.000 0.297 123 T C -0.373 174.425 174.700 0.163 0.000 0.997 123 T CA -0.159 62.008 62.100 0.112 0.000 0.949 123 T CB 0.054 68.971 68.868 0.081 0.000 0.941 123 T HN 0.286 nan 8.240 nan 0.000 0.457 124 Y N 4.818 125.154 120.300 0.060 0.000 2.790 124 Y HA 0.162 4.712 4.550 0.001 0.000 0.348 124 Y C 1.143 177.084 175.900 0.068 0.000 1.183 124 Y CA -0.612 57.518 58.100 0.050 0.000 2.002 124 Y CB -1.080 37.400 38.460 0.033 0.000 2.086 124 Y HN 0.708 nan 8.280 nan 0.000 0.412 125 S N 0.418 116.109 115.700 -0.014 0.000 2.397 125 S HA 0.894 5.365 4.470 0.001 0.000 0.261 125 S C 0.103 174.631 174.600 -0.120 0.000 1.151 125 S CA 0.035 58.215 58.200 -0.032 0.000 1.022 125 S CB 0.966 64.189 63.200 0.039 0.000 1.187 125 S HN 0.588 nan 8.310 nan 0.000 0.473 126 S N -1.921 113.747 115.700 -0.052 0.000 2.683 126 S HA 0.583 5.053 4.470 0.001 0.000 0.264 126 S C -0.365 174.213 174.600 -0.036 0.000 1.066 126 S CA -0.756 57.400 58.200 -0.074 0.000 0.846 126 S CB 0.249 63.374 63.200 -0.125 0.000 1.114 126 S HN 1.447 nan 8.310 nan 0.000 0.476 127 G N -0.317 108.413 108.800 -0.118 0.000 2.400 127 G HA2 0.609 4.570 3.960 0.001 0.000 0.301 127 G HA3 0.609 4.570 3.960 0.001 0.000 0.301 127 G C -1.502 173.221 174.900 -0.295 0.000 1.154 127 G CA -0.610 44.401 45.100 -0.148 0.000 0.852 127 G HN 0.538 nan 8.290 nan 0.000 0.511 128 L N 1.634 122.776 121.223 -0.135 0.000 2.316 128 L HA 0.477 4.817 4.340 0.001 0.000 0.280 128 L C -0.634 176.362 176.870 0.209 0.000 1.006 128 L CA -0.295 54.487 54.840 -0.095 0.000 0.836 128 L CB 0.866 42.855 42.059 -0.118 0.000 1.221 128 L HN 0.438 nan 8.230 nan 0.000 0.418 129 F N 3.336 123.367 119.950 0.135 0.000 2.493 129 F HA 0.702 5.230 4.527 0.001 0.000 0.329 129 F C -0.201 175.710 175.800 0.184 0.000 1.126 129 F CA -1.258 56.830 58.000 0.147 0.000 0.937 129 F CB 2.086 41.150 39.000 0.106 0.000 1.146 129 F HN 0.016 nan 8.300 nan 0.000 0.442 130 V N 2.291 122.395 119.914 0.317 0.000 2.656 130 V HA 0.200 4.321 4.120 0.001 0.000 0.307 130 V C -0.639 175.605 176.094 0.249 0.000 1.051 130 V CA -1.075 61.388 62.300 0.271 0.000 0.893 130 V CB 2.215 34.133 31.823 0.159 0.000 0.999 130 V HN 0.575 nan 8.190 nan 0.000 0.426 131 D N 3.629 124.187 120.400 0.263 0.000 2.344 131 D HA 0.235 4.876 4.640 0.001 0.000 0.253 131 D C -0.092 176.334 176.300 0.210 0.000 1.255 131 D CA 0.216 54.332 54.000 0.192 0.000 0.894 131 D CB 1.679 42.593 40.800 0.189 0.000 1.067 131 D HN 0.225 nan 8.370 nan 0.000 0.492 132 V N 3.008 123.029 119.914 0.178 0.000 2.644 132 V HA 0.286 4.406 4.120 0.001 0.000 0.295 132 V C 0.713 176.821 176.094 0.022 0.000 1.053 132 V CA -0.466 61.909 62.300 0.125 0.000 0.987 132 V CB 1.650 33.559 31.823 0.143 0.000 1.006 132 V HN 0.322 nan 8.190 nan 0.000 0.472 165 V N 2.653 122.518 119.914 -0.082 0.000 2.628 165 V HA 0.453 4.573 4.120 0.001 0.000 0.306 165 V C -0.655 175.487 176.094 0.080 0.000 1.045 165 V CA -0.813 61.476 62.300 -0.018 0.000 0.905 165 V CB 1.428 33.301 31.823 0.083 0.000 0.997 165 V HN 0.221 nan 8.190 nan 0.000 0.436 166 F N 5.419 125.343 119.950 -0.042 0.000 2.410 166 F HA 0.632 5.160 4.527 0.001 0.000 0.348 166 F C 0.127 176.038 175.800 0.185 0.000 1.106 166 F CA -0.883 57.240 58.000 0.206 0.000 1.163 166 F CB 0.690 39.794 39.000 0.174 0.000 1.129 166 F HN 0.356 nan 8.300 nan 0.000 0.516 167 I N 6.526 126.815 120.570 -0.469 0.000 2.948 167 I HA 0.448 4.619 4.170 0.001 0.000 0.308 167 I C 0.217 175.992 176.117 -0.570 0.000 1.478 167 I CA -0.205 60.832 61.300 -0.439 0.000 0.843 167 I CB 0.239 38.157 38.000 -0.135 0.000 2.100 167 I HN 0.923 nan 8.210 nan 0.000 0.625 168 G N 2.354 110.494 108.800 -1.099 0.000 2.728 168 G HA2 -0.137 3.824 3.960 0.001 0.000 0.294 168 G HA3 -0.137 3.824 3.960 0.001 0.000 0.294 168 G C -0.739 174.020 174.900 -0.234 0.000 1.342 168 G CA -0.961 43.823 45.100 -0.527 0.000 0.866 168 G HN 0.431 nan 8.290 nan 0.000 0.534 169 R N -0.843 119.648 120.500 -0.015 0.000 2.476 169 R HA 0.527 4.867 4.340 0.001 0.000 0.305 169 R C -0.695 175.610 176.300 0.008 0.000 0.965 169 R CA -0.897 55.236 56.100 0.055 0.000 0.867 169 R CB 1.872 32.246 30.300 0.124 0.000 1.176 169 R HN 0.601 nan 8.270 nan 0.000 0.447 170 L N 5.572 126.787 121.223 -0.014 0.000 2.270 170 L HA 0.372 4.713 4.340 0.001 0.000 0.286 170 L C -2.278 174.652 176.870 0.098 0.000 1.059 170 L CA -2.305 52.543 54.840 0.013 0.000 0.839 170 L CB 0.643 42.690 42.059 -0.020 0.000 1.221 170 L HN 0.442 nan 8.230 nan 0.000 0.431 171 P HA -0.000 nan 4.420 nan 0.000 0.256 171 P C -0.060 177.439 177.300 0.332 0.000 1.189 171 P CA 0.474 63.701 63.100 0.213 0.000 0.808 171 P CB -0.034 31.797 31.700 0.219 0.000 0.793 172 I N 3.403 124.066 120.570 0.156 0.000 2.882 172 I HA 0.194 4.364 4.170 0.001 0.000 0.286 172 I C 1.355 177.222 176.117 -0.417 0.000 1.139 172 I CA -0.547 60.809 61.300 0.094 0.000 1.379 172 I CB 0.374 38.385 38.000 0.019 0.000 1.410 172 I HN 0.265 nan 8.210 nan 0.000 0.594 173 M N 4.357 123.326 119.600 -1.051 0.000 2.188 173 M HA 0.328 4.809 4.480 0.001 0.000 0.357 173 M C -0.939 175.006 176.300 -0.592 0.000 1.204 173 M CA -0.838 53.545 55.300 -1.528 0.000 1.095 173 M CB 1.052 32.453 32.600 -1.998 0.000 1.604 173 M HN 0.328 nan 8.290 nan 0.000 0.464 174 L N 4.959 125.816 121.223 -0.610 0.000 2.485 174 L HA 0.112 4.453 4.340 0.001 0.000 0.275 174 L C 0.839 177.500 176.870 -0.350 0.000 1.207 174 L CA 1.017 55.574 54.840 -0.471 0.000 0.855 174 L CB 0.121 41.688 42.059 -0.819 0.000 1.114 174 L HN 0.906 nan 8.230 nan 0.000 0.485 175 R N 0.236 120.634 120.500 -0.171 0.000 3.531 175 R HA -0.174 4.166 4.340 0.001 0.000 0.280 175 R C -0.051 176.227 176.300 -0.037 0.000 1.130 175 R CA 0.888 56.935 56.100 -0.088 0.000 0.757 175 R CB -1.637 28.595 30.300 -0.113 0.000 1.218 175 R HN 0.913 nan 8.270 nan 0.000 0.454 176 S N -2.003 113.701 115.700 0.007 0.000 2.618 176 S HA 0.445 4.916 4.470 0.001 0.000 0.284 176 S C 1.014 175.654 174.600 0.066 0.000 1.102 176 S CA -0.537 57.713 58.200 0.084 0.000 0.984 176 S CB 0.965 64.314 63.200 0.249 0.000 1.280 176 S HN 0.211 nan 8.310 nan 0.000 0.525 177 K N 0.148 120.585 120.400 0.062 0.000 2.243 177 K HA 0.177 4.498 4.320 0.001 0.000 0.201 177 K C 1.151 177.739 176.600 -0.020 0.000 1.051 177 K CA 0.629 56.922 56.287 0.010 0.000 0.970 177 K CB -0.279 32.213 32.500 -0.013 0.000 0.755 177 K HN 0.450 nan 8.250 nan 0.000 0.465 178 N N -0.124 118.577 118.700 0.002 0.000 2.336 178 N HA -0.014 4.727 4.740 0.001 0.000 0.189 178 N C -0.767 174.724 175.510 -0.032 0.000 1.113 178 N CA 0.008 53.029 53.050 -0.048 0.000 0.858 178 N CB 0.364 38.833 38.487 -0.030 0.000 0.970 178 N HN 0.065 nan 8.380 nan 0.000 0.471 179 C N 0.686 120.021 119.300 0.058 0.000 2.307 179 C HA 0.248 4.708 4.460 0.001 0.000 0.340 179 C C 1.467 176.551 174.990 0.156 0.000 1.275 179 C CA -0.735 58.402 59.018 0.199 0.000 1.811 179 C CB -1.138 26.713 27.740 0.185 0.000 2.372 179 C HN 0.478 nan 8.230 nan 0.000 0.531 180 Y N 3.521 123.813 120.300 -0.013 0.000 2.181 180 Y HA -0.168 4.382 4.550 0.001 0.000 0.284 180 Y C 2.120 178.024 175.900 0.006 0.000 1.179 180 Y CA 1.690 59.751 58.100 -0.065 0.000 1.179 180 Y CB -0.668 37.633 38.460 -0.266 0.000 0.973 180 Y HN 0.669 nan 8.280 nan 0.000 0.519 181 L N -0.298 121.040 121.223 0.192 0.000 2.127 181 L HA -0.254 4.086 4.340 0.001 0.000 0.211 181 L C 2.579 179.493 176.870 0.075 0.000 1.089 181 L CA 1.537 56.445 54.840 0.114 0.000 0.757 181 L CB -0.971 41.121 42.059 0.055 0.000 0.899 181 L HN 0.361 nan 8.230 nan 0.000 0.434 182 S N -0.264 115.471 115.700 0.058 0.000 2.392 182 S HA -0.267 4.204 4.470 0.001 0.000 0.232 182 S C 1.658 176.282 174.600 0.040 0.000 1.041 182 S CA 1.738 59.961 58.200 0.039 0.000 1.026 182 S CB -0.280 62.937 63.200 0.027 0.000 0.845 182 S HN 0.566 nan 8.310 nan 0.000 0.465 183 E N 1.784 122.011 120.200 0.045 0.000 2.045 183 E HA 0.378 4.728 4.350 0.001 0.000 0.190 183 E C 1.287 177.922 176.600 0.058 0.000 0.968 183 E CA 0.292 56.718 56.400 0.044 0.000 0.813 183 E CB -0.357 29.363 29.700 0.035 0.000 0.780 183 E HN 0.656 nan 8.360 nan 0.000 0.455 184 A N 1.555 124.425 122.820 0.083 0.000 2.664 184 A HA 0.023 4.343 4.320 0.001 0.000 0.228 184 A C 0.520 178.140 177.584 0.060 0.000 1.091 184 A CA 1.156 53.245 52.037 0.088 0.000 0.793 184 A CB -0.221 18.851 19.000 0.121 0.000 1.003 184 A HN 0.304 nan 8.150 nan 0.000 0.510 185 T N -1.649 112.936 114.554 0.051 0.000 2.883 185 T HA 0.562 4.912 4.350 0.001 0.000 0.296 185 T C 0.574 175.289 174.700 0.024 0.000 1.117 185 T CA 0.131 62.248 62.100 0.028 0.000 1.006 185 T CB 1.355 70.230 68.868 0.012 0.000 1.191 185 T HN 0.775 nan 8.240 nan 0.000 0.508 186 E N 1.523 121.720 120.200 -0.005 0.000 2.831 186 E HA -0.388 3.963 4.350 0.001 0.000 0.227 186 E C 2.100 178.681 176.600 -0.031 0.000 0.895 186 E CA 3.566 59.942 56.400 -0.040 0.000 1.313 186 E CB -1.085 28.540 29.700 -0.126 0.000 1.338 186 E HN 0.867 nan 8.360 nan 0.000 0.485 187 S N 0.235 115.873 115.700 -0.103 0.000 2.372 187 S HA -0.307 4.164 4.470 0.001 0.000 0.227 187 S C 1.772 176.390 174.600 0.029 0.000 1.044 187 S CA 1.723 59.870 58.200 -0.089 0.000 1.050 187 S CB -0.803 62.350 63.200 -0.078 0.000 0.901 187 S HN 0.398 nan 8.310 nan 0.000 0.447 188 D N 1.963 122.391 120.400 0.046 0.000 2.137 188 D HA -0.116 4.524 4.640 0.001 0.000 0.189 188 D C 2.128 178.493 176.300 0.108 0.000 0.998 188 D CA 1.766 55.811 54.000 0.075 0.000 0.839 188 D CB -0.400 40.450 40.800 0.083 0.000 0.962 188 D HN 0.367 nan 8.370 nan 0.000 0.446 189 L N 0.022 121.327 121.223 0.137 0.000 1.971 189 L HA -0.256 4.084 4.340 0.001 0.000 0.215 189 L C 2.755 179.705 176.870 0.134 0.000 1.072 189 L CA 1.428 56.346 54.840 0.130 0.000 0.758 189 L CB -0.897 41.233 42.059 0.118 0.000 0.889 189 L HN 0.110 nan 8.230 nan 0.000 0.433 190 Y N 0.491 120.773 120.300 -0.029 0.000 2.228 190 Y HA -0.274 4.277 4.550 0.001 0.000 0.285 190 Y C 2.498 178.373 175.900 -0.041 0.000 1.178 190 Y CA 1.391 59.468 58.100 -0.038 0.000 1.202 190 Y CB -0.517 37.916 38.460 -0.045 0.000 0.974 190 Y HN 0.163 nan 8.280 nan 0.000 0.527 191 K N -0.441 120.031 120.400 0.120 0.000 2.459 191 K HA 0.059 4.380 4.320 0.001 0.000 0.193 191 K C 1.318 177.904 176.600 -0.024 0.000 1.030 191 K CA 0.428 56.735 56.287 0.033 0.000 1.026 191 K CB 0.002 32.511 32.500 0.016 0.000 0.809 191 K HN 0.334 nan 8.250 nan 0.000 0.504 192 L N -0.135 121.079 121.223 -0.014 0.000 2.590 192 L HA 0.098 4.438 4.340 0.001 0.000 0.227 192 L C 0.638 177.477 176.870 -0.052 0.000 1.099 192 L CA 0.254 55.059 54.840 -0.059 0.000 0.872 192 L CB 0.167 42.232 42.059 0.011 0.000 1.088 192 L HN 0.070 nan 8.230 nan 0.000 0.479 193 K N -1.503 118.867 120.400 -0.050 0.000 3.615 193 K HA -0.147 4.174 4.320 0.001 0.000 0.264 193 K C 0.170 176.712 176.600 -0.098 0.000 1.090 193 K CA 0.778 57.019 56.287 -0.078 0.000 1.058 193 K CB -0.756 31.709 32.500 -0.058 0.000 1.304 193 K HN 0.164 nan 8.250 nan 0.000 0.513 194 E N 1.549 121.711 120.200 -0.063 0.000 2.415 194 E HA -0.005 4.346 4.350 0.001 0.000 0.263 194 E C 0.012 176.541 176.600 -0.119 0.000 0.995 194 E CA 0.174 56.544 56.400 -0.050 0.000 0.915 194 E CB 0.903 30.600 29.700 -0.004 0.000 0.951 194 E HN 0.250 nan 8.360 nan 0.000 0.449 195 C N 6.874 126.117 119.300 -0.095 0.000 2.653 195 C HA 0.112 4.572 4.460 0.001 0.000 0.421 195 C C -0.597 174.344 174.990 -0.081 0.000 1.334 195 C CA -1.514 57.417 59.018 -0.144 0.000 1.885 195 C CB 0.033 27.760 27.740 -0.021 0.000 2.645 195 C HN 0.614 nan 8.230 nan 0.000 0.601 196 P HA -0.089 nan 4.420 nan 0.000 0.219 196 P C 1.324 178.532 177.300 -0.153 0.000 1.150 196 P CA 1.647 64.683 63.100 -0.106 0.000 0.814 196 P CB -0.068 31.600 31.700 -0.054 0.000 0.787 197 F N 0.611 120.546 119.950 -0.025 0.000 2.325 197 F HA -0.041 4.487 4.527 0.001 0.000 0.299 197 F C 1.217 177.082 175.800 0.108 0.000 1.090 197 F CA 0.380 58.359 58.000 -0.035 0.000 1.392 197 F CB -0.816 38.054 39.000 -0.217 0.000 1.053 197 F HN -0.074 nan 8.300 nan 0.000 0.521 198 D N 1.042 121.609 120.400 0.278 0.000 2.487 198 D HA -0.068 4.573 4.640 0.001 0.000 0.243 198 D C 1.026 177.451 176.300 0.207 0.000 1.154 198 D CA 0.170 54.341 54.000 0.286 0.000 0.876 198 D CB 0.617 41.545 40.800 0.215 0.000 1.161 198 D HN 0.038 nan 8.370 nan 0.000 0.478 199 M N 2.379 122.111 119.600 0.220 0.000 2.383 199 M HA 0.309 4.789 4.480 0.001 0.000 0.247 199 M C 0.901 177.217 176.300 0.027 0.000 1.117 199 M CA 0.130 55.503 55.300 0.122 0.000 0.995 199 M CB -0.881 31.799 32.600 0.133 0.000 1.480 199 M HN 0.362 nan 8.290 nan 0.000 0.485 200 G N 1.590 110.381 108.800 -0.016 0.000 2.591 200 G HA2 0.008 3.969 3.960 0.001 0.000 0.278 200 G HA3 0.008 3.969 3.960 0.001 0.000 0.278 200 G C 0.719 175.467 174.900 -0.255 0.000 1.293 200 G CA 1.041 45.915 45.100 -0.377 0.000 0.930 200 G HN 1.740 nan 8.290 nan 0.000 0.562 201 G N -3.552 105.019 108.800 -0.383 0.000 2.179 201 G HA2 0.202 4.162 3.960 0.001 0.000 0.220 201 G HA3 0.202 4.162 3.960 0.001 0.000 0.220 201 G C 0.299 175.110 174.900 -0.149 0.000 0.990 201 G CA 1.378 46.358 45.100 -0.200 0.000 0.646 201 G HN 2.361 nan 8.290 nan 0.000 0.517 202 Y N -1.091 119.107 120.300 -0.171 0.000 2.753 202 Y HA 0.896 5.446 4.550 0.001 0.000 0.324 202 Y C -0.204 175.613 175.900 -0.138 0.000 1.147 202 Y CA -2.845 55.224 58.100 -0.051 0.000 1.173 202 Y CB 0.649 39.078 38.460 -0.052 0.000 1.361 202 Y HN -0.010 nan 8.280 nan 0.000 0.545 203 F N -0.007 120.026 119.950 0.140 0.000 2.613 203 F HA 0.661 5.189 4.527 0.001 0.000 0.342 203 F C -0.476 175.422 175.800 0.163 0.000 1.066 203 F CA -1.713 56.325 58.000 0.063 0.000 1.002 203 F CB 1.672 40.666 39.000 -0.010 0.000 1.319 203 F HN 0.307 nan 8.300 nan 0.000 0.495 204 I N 3.066 123.833 120.570 0.329 0.000 2.595 204 I HA 0.278 4.448 4.170 0.001 0.000 0.275 204 I C -1.239 174.995 176.117 0.194 0.000 1.092 204 I CA -0.215 61.215 61.300 0.216 0.000 1.145 204 I CB 0.497 38.576 38.000 0.132 0.000 1.276 204 I HN 0.253 nan 8.210 nan 0.000 0.497 205 I N 4.557 125.212 120.570 0.143 0.000 2.428 205 I HA 0.236 4.407 4.170 0.001 0.000 0.296 205 I C 1.221 177.371 176.117 0.055 0.000 0.985 205 I CA -0.233 61.122 61.300 0.091 0.000 1.260 205 I CB 0.493 38.520 38.000 0.045 0.000 1.389 205 I HN 0.371 nan 8.210 nan 0.000 0.484 206 N N 4.791 123.514 118.700 0.038 0.000 2.691 206 N HA -0.267 4.474 4.740 0.001 0.000 0.257 206 N C 0.858 176.376 175.510 0.013 0.000 0.966 206 N CA 1.245 54.302 53.050 0.011 0.000 0.810 206 N CB -0.481 38.004 38.487 -0.003 0.000 0.932 206 N HN 1.089 nan 8.380 nan 0.000 0.546 207 G N -1.743 107.077 108.800 0.034 0.000 3.700 207 G HA2 -0.295 3.665 3.960 0.001 0.000 0.211 207 G HA3 -0.295 3.665 3.960 0.001 0.000 0.211 207 G C 0.038 174.969 174.900 0.052 0.000 1.777 207 G CA 0.391 45.520 45.100 0.049 0.000 1.460 207 G HN 1.038 nan 8.290 nan 0.000 0.615 208 S N 1.583 117.304 115.700 0.036 0.000 2.600 208 S HA 0.524 4.995 4.470 0.001 0.000 0.265 208 S C -0.004 174.602 174.600 0.011 0.000 1.325 208 S CA 0.384 58.590 58.200 0.011 0.000 1.002 208 S CB 1.223 64.418 63.200 -0.007 0.000 0.921 208 S HN 0.673 nan 8.310 nan 0.000 0.554 209 E N 1.327 121.501 120.200 -0.045 0.000 2.180 209 E HA 0.216 4.567 4.350 0.001 0.000 0.283 209 E C -0.500 176.061 176.600 -0.065 0.000 1.061 209 E CA -0.416 55.941 56.400 -0.072 0.000 0.861 209 E CB 0.525 30.015 29.700 -0.349 0.000 1.056 209 E HN 0.327 nan 8.360 nan 0.000 0.407 210 K N 2.676 123.101 120.400 0.042 0.000 2.265 210 K HA 0.329 4.650 4.320 0.001 0.000 0.267 210 K C -0.712 175.906 176.600 0.031 0.000 0.994 210 K CA -0.726 55.563 56.287 0.003 0.000 0.860 210 K CB 1.914 34.409 32.500 -0.008 0.000 1.099 210 K HN 0.252 nan 8.250 nan 0.000 0.448 211 V N 4.979 124.840 119.914 -0.089 0.000 2.394 211 V HA 0.329 4.450 4.120 0.001 0.000 0.282 211 V C 0.438 176.445 176.094 -0.145 0.000 1.031 211 V CA -0.887 61.337 62.300 -0.126 0.000 0.881 211 V CB 1.313 32.885 31.823 -0.419 0.000 0.982 211 V HN 0.560 nan 8.190 nan 0.000 0.451 212 L N 5.660 126.821 121.223 -0.102 0.000 2.290 212 L HA 0.409 4.750 4.340 0.001 0.000 0.284 212 L C -0.365 176.410 176.870 -0.159 0.000 1.078 212 L CA -0.312 54.428 54.840 -0.167 0.000 0.815 212 L CB 0.940 42.914 42.059 -0.142 0.000 1.162 212 L HN 0.414 nan 8.230 nan 0.000 0.435 213 I N 3.031 123.487 120.570 -0.190 0.000 2.385 213 I HA 0.251 4.422 4.170 0.001 0.000 0.294 213 I C 0.772 176.804 176.117 -0.142 0.000 0.988 213 I CA -0.626 60.588 61.300 -0.143 0.000 1.265 213 I CB 1.516 39.450 38.000 -0.109 0.000 1.388 213 I HN 0.606 nan 8.210 nan 0.000 0.480 214 A N 7.281 130.044 122.820 -0.096 0.000 2.591 214 A HA -0.019 4.302 4.320 0.001 0.000 0.244 214 A C 0.303 177.832 177.584 -0.091 0.000 1.031 214 A CA 0.228 52.218 52.037 -0.079 0.000 0.767 214 A CB -0.253 18.719 19.000 -0.046 0.000 0.942 214 A HN 0.638 nan 8.150 nan 0.000 0.514 215 Q N 2.098 121.837 119.800 -0.101 0.000 2.626 215 Q HA 0.175 4.515 4.340 0.001 0.000 0.239 215 Q C 0.126 176.084 176.000 -0.071 0.000 1.101 215 Q CA -0.121 55.620 55.803 -0.104 0.000 0.918 215 Q CB 0.852 29.498 28.738 -0.153 0.000 1.151 215 Q HN 0.958 nan 8.270 nan 0.000 0.531 216 E N 2.370 122.542 120.200 -0.047 0.000 2.461 216 E HA 0.096 4.446 4.350 0.001 0.000 0.263 216 E C -0.365 176.209 176.600 -0.044 0.000 1.143 216 E CA 0.307 56.684 56.400 -0.039 0.000 0.994 216 E CB 0.570 30.275 29.700 0.009 0.000 0.973 216 E HN 0.449 nan 8.360 nan 0.000 0.457 217 R N 0.128 120.594 120.500 -0.056 0.000 2.825 217 R HA 0.198 4.538 4.340 0.001 0.000 0.274 217 R C -1.504 174.758 176.300 -0.064 0.000 1.026 217 R CA -0.594 55.477 56.100 -0.048 0.000 0.867 217 R CB 0.523 30.797 30.300 -0.044 0.000 1.268 217 R HN 0.264 nan 8.270 nan 0.000 0.491 218 S N 1.133 116.805 115.700 -0.047 0.000 2.516 218 S HA 0.526 4.997 4.470 0.001 0.000 0.282 218 S C 0.492 175.049 174.600 -0.072 0.000 1.286 218 S CA 0.140 58.309 58.200 -0.052 0.000 1.066 218 S CB -0.099 63.088 63.200 -0.022 0.000 0.884 218 S HN 0.861 nan 8.310 nan 0.000 0.491 219 A N 4.420 127.176 122.820 -0.107 0.000 2.521 219 A HA 0.528 4.848 4.320 0.001 0.000 0.237 219 A C 0.916 178.429 177.584 -0.118 0.000 1.087 219 A CA 0.262 52.217 52.037 -0.138 0.000 0.777 219 A CB -0.437 18.440 19.000 -0.204 0.000 1.035 219 A HN 1.049 nan 8.150 nan 0.000 0.510 220 G N -1.061 107.660 108.800 -0.131 0.000 2.601 220 G HA2 0.457 4.417 3.960 0.001 0.000 0.317 220 G HA3 0.457 4.417 3.960 0.001 0.000 0.317 220 G C -0.229 174.582 174.900 -0.148 0.000 1.246 220 G CA -0.449 44.584 45.100 -0.112 0.000 1.012 220 G HN 0.987 nan 8.290 nan 0.000 0.494 221 N N -0.927 117.679 118.700 -0.156 0.000 2.667 221 N HA -0.163 4.578 4.740 0.001 0.000 0.263 221 N C -0.653 174.778 175.510 -0.131 0.000 1.038 221 N CA 1.113 54.022 53.050 -0.234 0.000 0.749 221 N CB -0.958 37.343 38.487 -0.311 0.000 0.892 221 N HN 0.508 nan 8.380 nan 0.000 0.546 222 I N -0.780 119.737 120.570 -0.088 0.000 2.752 222 I HA 0.264 4.435 4.170 0.001 0.000 0.295 222 I C 0.273 176.345 176.117 -0.075 0.000 1.219 222 I CA -1.325 59.937 61.300 -0.063 0.000 1.030 222 I CB 2.352 40.293 38.000 -0.098 0.000 1.259 222 I HN -0.108 nan 8.210 nan 0.000 0.423 223 V N 2.342 122.201 119.914 -0.092 0.000 2.461 223 V HA 0.541 4.661 4.120 0.001 0.000 0.275 223 V C -0.433 175.539 176.094 -0.203 0.000 1.047 223 V CA -0.142 62.056 62.300 -0.169 0.000 0.955 223 V CB 0.819 32.513 31.823 -0.216 0.000 0.988 223 V HN 0.817 nan 8.190 nan 0.000 0.471 224 Q N 3.201 122.827 119.800 -0.290 0.000 2.379 224 Q HA 0.766 5.106 4.340 0.001 0.000 0.278 224 Q C -1.341 174.322 176.000 -0.562 0.000 1.068 224 Q CA -0.995 54.597 55.803 -0.352 0.000 0.816 224 Q CB 3.148 31.691 28.738 -0.325 0.000 1.387 224 Q HN 0.928 nan 8.270 nan 0.000 0.413 225 V N -1.259 118.400 119.914 -0.425 0.000 2.487 225 V HA 0.717 4.837 4.120 0.001 0.000 0.298 225 V C -0.993 175.044 176.094 -0.095 0.000 1.028 225 V CA -0.651 61.432 62.300 -0.362 0.000 0.860 225 V CB 0.827 32.528 31.823 -0.203 0.000 0.991 225 V HN 0.672 nan 8.190 nan 0.000 0.427 226 F N 1.674 121.552 119.950 -0.120 0.000 2.532 226 F HA 0.606 5.133 4.527 0.001 0.000 0.321 226 F C 0.460 176.169 175.800 -0.153 0.000 1.089 226 F CA -1.197 56.729 58.000 -0.123 0.000 0.926 226 F CB 2.526 41.477 39.000 -0.081 0.000 1.168 226 F HN 0.386 nan 8.300 nan 0.000 0.459 227 K N 2.439 122.848 120.400 0.016 0.000 2.185 227 K HA 0.313 4.634 4.320 0.001 0.000 0.271 227 K C -0.367 176.262 176.600 0.048 0.000 1.013 227 K CA -0.888 55.366 56.287 -0.054 0.000 0.943 227 K CB 1.060 33.499 32.500 -0.103 0.000 0.998 227 K HN 0.331 nan 8.250 nan 0.000 0.468 228 K N 1.229 121.681 120.400 0.087 0.000 2.138 228 K HA 0.314 4.635 4.320 0.001 0.000 0.263 228 K C -0.243 176.377 176.600 0.033 0.000 0.965 228 K CA -0.508 55.809 56.287 0.050 0.000 0.868 228 K CB 1.755 34.276 32.500 0.035 0.000 1.083 228 K HN 0.783 nan 8.250 nan 0.000 0.443 229 A N 1.706 124.533 122.820 0.012 0.000 2.577 229 A HA 0.152 4.472 4.320 0.001 0.000 0.233 229 A C 1.490 179.078 177.584 0.007 0.000 1.076 229 A CA 0.970 53.009 52.037 0.004 0.000 0.767 229 A CB -0.117 18.880 19.000 -0.005 0.000 1.017 229 A HN 0.834 nan 8.150 nan 0.000 0.511 230 A N 1.940 124.763 122.820 0.006 0.000 1.903 230 A HA -0.053 4.268 4.320 0.001 0.000 0.219 230 A C -0.578 177.007 177.584 0.001 0.000 1.191 230 A CA 1.935 53.975 52.037 0.006 0.000 0.638 230 A CB -1.617 17.385 19.000 0.004 0.000 0.823 230 A HN 0.780 nan 8.150 nan 0.000 0.451 231 P HA 0.409 nan 4.420 nan 0.000 0.262 231 P C -0.748 176.546 177.300 -0.009 0.000 1.620 231 P CA 0.318 63.416 63.100 -0.004 0.000 1.089 231 P CB 0.696 32.394 31.700 -0.004 0.000 1.601 232 S N 4.111 119.803 115.700 -0.014 0.000 2.680 232 S HA 0.311 4.781 4.470 0.001 0.000 0.284 232 S C -2.347 172.229 174.600 -0.040 0.000 1.055 232 S CA -0.758 57.426 58.200 -0.028 0.000 0.849 232 S CB 0.852 64.033 63.200 -0.031 0.000 1.068 232 S HN 0.135 nan 8.310 nan 0.000 0.453 233 P HA 0.203 nan 4.420 nan 0.000 0.215 233 P C 0.359 177.570 177.300 -0.148 0.000 1.160 233 P CA 0.631 63.683 63.100 -0.080 0.000 0.869 233 P CB -0.304 31.348 31.700 -0.080 0.000 0.782 234 I N 1.381 121.801 120.570 -0.250 0.000 2.587 234 I HA -0.037 4.134 4.170 0.001 0.000 0.284 234 I C 2.119 178.174 176.117 -0.103 0.000 1.134 234 I CA 0.530 61.671 61.300 -0.266 0.000 1.410 234 I CB -0.016 37.808 38.000 -0.293 0.000 1.392 234 I HN -0.006 nan 8.210 nan 0.000 0.545 235 S N 6.290 121.942 115.700 -0.080 0.000 2.326 235 S HA 0.034 4.505 4.470 0.001 0.000 0.211 235 S C 0.636 175.341 174.600 0.175 0.000 1.031 235 S CA 0.859 59.036 58.200 -0.037 0.000 0.985 235 S CB -0.049 63.018 63.200 -0.222 0.000 0.961 235 S HN 0.677 nan 8.310 nan 0.000 0.436 236 H N -1.223 117.824 119.070 -0.038 0.000 2.731 236 H HA 0.752 5.308 4.556 0.001 0.000 0.368 236 H C -1.387 173.908 175.328 -0.056 0.000 1.168 236 H CA -1.285 54.742 56.048 -0.035 0.000 1.181 236 H CB 2.013 31.753 29.762 -0.036 0.000 1.743 236 H HN 0.187 nan 8.280 nan 0.000 0.547 237 V N 0.619 120.562 119.914 0.048 0.000 3.012 237 V HA 0.552 4.672 4.120 0.001 0.000 0.307 237 V C -0.959 175.029 176.094 -0.177 0.000 1.166 237 V CA -0.855 61.412 62.300 -0.054 0.000 0.974 237 V CB 1.984 33.775 31.823 -0.054 0.000 1.040 237 V HN 0.909 nan 8.190 nan 0.000 0.428 238 A N 2.689 125.391 122.820 -0.197 0.000 2.304 238 A HA 0.828 5.148 4.320 0.001 0.000 0.314 238 A C -0.527 176.887 177.584 -0.284 0.000 1.187 238 A CA -0.496 51.369 52.037 -0.286 0.000 0.810 238 A CB 0.787 19.648 19.000 -0.231 0.000 1.183 238 A HN 0.820 nan 8.150 nan 0.000 0.487 239 E N 0.962 120.924 120.200 -0.396 0.000 2.221 239 E HA 0.684 5.035 4.350 0.001 0.000 0.268 239 E C -1.386 175.084 176.600 -0.218 0.000 0.933 239 E CA -0.623 55.605 56.400 -0.287 0.000 0.809 239 E CB 2.649 32.160 29.700 -0.315 0.000 1.190 239 E HN 0.612 nan 8.360 nan 0.000 0.406 240 I N 1.603 122.097 120.570 -0.126 0.000 2.637 240 I HA 0.215 4.386 4.170 0.001 0.000 0.285 240 I C -1.326 174.761 176.117 -0.051 0.000 1.222 240 I CA -0.407 60.850 61.300 -0.070 0.000 1.067 240 I CB 0.913 38.918 38.000 0.008 0.000 1.279 240 I HN 0.395 nan 8.210 nan 0.000 0.441 241 R N 4.992 125.457 120.500 -0.058 0.000 2.216 241 R HA 0.381 4.721 4.340 0.001 0.000 0.332 241 R C -0.223 176.038 176.300 -0.065 0.000 1.056 241 R CA -0.272 55.800 56.100 -0.046 0.000 0.901 241 R CB 1.007 31.284 30.300 -0.038 0.000 1.039 241 R HN 0.652 nan 8.270 nan 0.000 0.456 242 S N 1.260 116.940 115.700 -0.035 0.000 2.489 242 S HA 0.782 5.252 4.470 0.001 0.000 0.291 242 S C -0.440 174.178 174.600 0.031 0.000 1.151 242 S CA -0.891 57.291 58.200 -0.029 0.000 1.082 242 S CB 2.193 65.434 63.200 0.069 0.000 1.019 242 S HN 0.654 nan 8.310 nan 0.000 0.492 243 A N 3.285 126.125 122.820 0.033 0.000 2.480 243 A HA 0.525 4.845 4.320 0.001 0.000 0.289 243 A C -0.549 177.079 177.584 0.075 0.000 1.044 243 A CA -0.797 51.283 52.037 0.073 0.000 0.761 243 A CB 0.643 19.674 19.000 0.050 0.000 1.289 243 A HN 0.901 nan 8.150 nan 0.000 0.401 244 L N 2.944 124.223 121.223 0.094 0.000 2.700 244 L HA -0.047 4.293 4.340 0.001 0.000 0.272 244 L C 1.555 178.457 176.870 0.053 0.000 1.176 244 L CA 0.182 55.063 54.840 0.069 0.000 0.961 244 L CB 0.217 42.297 42.059 0.035 0.000 1.249 244 L HN 0.913 nan 8.230 nan 0.000 0.487 245 E N 3.029 123.263 120.200 0.057 0.000 2.339 245 E HA -0.177 4.173 4.350 0.001 0.000 0.201 245 E C -0.183 176.450 176.600 0.054 0.000 1.015 245 E CA 1.165 57.597 56.400 0.054 0.000 0.841 245 E CB 0.039 29.776 29.700 0.062 0.000 0.754 245 E HN 0.489 nan 8.360 nan 0.000 0.508 246 K N -1.070 119.357 120.400 0.045 0.000 2.610 246 K HA 0.371 4.692 4.320 0.001 0.000 0.274 246 K C -1.025 175.584 176.600 0.015 0.000 1.049 246 K CA -0.043 56.268 56.287 0.041 0.000 0.945 246 K CB 2.081 34.611 32.500 0.050 0.000 1.313 246 K HN 0.104 nan 8.250 nan 0.000 0.463 247 G N 1.383 110.181 108.800 -0.004 0.000 2.781 247 G HA2 0.081 4.041 3.960 0.001 0.000 0.468 247 G HA3 0.081 4.041 3.960 0.001 0.000 0.468 247 G C 0.142 174.971 174.900 -0.119 0.000 1.186 247 G CA -0.003 45.068 45.100 -0.048 0.000 1.220 247 G HN 0.673 nan 8.290 nan 0.000 0.564 248 S N 0.916 116.532 115.700 -0.141 0.000 2.378 248 S HA -0.324 4.146 4.470 0.001 0.000 0.240 248 S C 1.414 175.907 174.600 -0.178 0.000 1.229 248 S CA 2.518 60.570 58.200 -0.246 0.000 1.607 248 S CB -1.080 61.810 63.200 -0.516 0.000 2.074 248 S HN 2.245 nan 8.310 nan 0.000 0.620 249 R N -0.053 120.395 120.500 -0.086 0.000 3.022 249 R HA -0.146 4.194 4.340 0.001 0.000 0.248 249 R C -0.295 176.083 176.300 0.131 0.000 0.874 249 R CA 1.061 57.176 56.100 0.026 0.000 0.626 249 R CB -2.281 28.048 30.300 0.048 0.000 1.255 249 R HN 0.579 nan 8.270 nan 0.000 0.496 250 F N 1.352 121.325 119.950 0.037 0.000 2.504 250 F HA 0.129 4.657 4.527 0.001 0.000 0.369 250 F C 1.488 177.313 175.800 0.040 0.000 1.082 250 F CA -0.534 57.492 58.000 0.043 0.000 1.216 250 F CB 0.617 39.641 39.000 0.040 0.000 1.108 250 F HN 0.177 nan 8.300 nan 0.000 0.554 251 I N 4.334 125.040 120.570 0.227 0.000 2.620 251 I HA 0.106 4.277 4.170 0.001 0.000 0.280 251 I C -0.582 175.568 176.117 0.055 0.000 1.143 251 I CA -0.257 61.110 61.300 0.113 0.000 1.163 251 I CB 0.350 38.401 38.000 0.086 0.000 1.461 251 I HN 0.360 nan 8.210 nan 0.000 0.530 252 S N 1.980 117.701 115.700 0.034 0.000 2.498 252 S HA 0.493 4.963 4.470 0.001 0.000 0.324 252 S C 0.094 174.686 174.600 -0.014 0.000 1.071 252 S CA -0.652 57.543 58.200 -0.009 0.000 1.113 252 S CB 1.185 64.358 63.200 -0.046 0.000 0.976 252 S HN 0.338 nan 8.310 nan 0.000 0.462 253 T N 3.407 117.947 114.554 -0.023 0.000 2.813 253 T HA 0.409 4.759 4.350 0.001 0.000 0.297 253 T C -0.415 174.246 174.700 -0.065 0.000 1.036 253 T CA -0.318 61.760 62.100 -0.037 0.000 1.044 253 T CB 0.394 69.244 68.868 -0.031 0.000 0.993 253 T HN 0.612 nan 8.240 nan 0.000 0.535 254 L N 2.281 123.456 121.223 -0.081 0.000 2.372 254 L HA 0.373 4.714 4.340 0.001 0.000 0.273 254 L C -0.602 176.203 176.870 -0.109 0.000 0.989 254 L CA -0.194 54.573 54.840 -0.122 0.000 0.841 254 L CB 1.483 43.445 42.059 -0.162 0.000 1.225 254 L HN 0.571 nan 8.230 nan 0.000 0.414 255 Q N 3.554 123.297 119.800 -0.096 0.000 2.245 255 Q HA 0.638 4.978 4.340 0.001 0.000 0.256 255 Q C -1.205 174.755 176.000 -0.067 0.000 0.942 255 Q CA -0.771 54.984 55.803 -0.080 0.000 0.896 255 Q CB 2.801 31.508 28.738 -0.053 0.000 1.272 255 Q HN 0.491 nan 8.270 nan 0.000 0.442 256 V N 3.545 123.418 119.914 -0.068 0.000 2.380 256 V HA 0.192 4.313 4.120 0.001 0.000 0.268 256 V C -0.104 175.976 176.094 -0.023 0.000 1.008 256 V CA -0.586 61.689 62.300 -0.042 0.000 0.823 256 V CB 0.803 32.587 31.823 -0.065 0.000 1.053 256 V HN 0.669 nan 8.190 nan 0.000 0.446 257 K N 2.574 122.986 120.400 0.019 0.000 2.462 257 K HA 0.642 4.962 4.320 0.001 0.000 0.257 257 K C -0.470 176.171 176.600 0.067 0.000 1.062 257 K CA -0.579 55.724 56.287 0.026 0.000 0.923 257 K CB 0.478 32.992 32.500 0.025 0.000 1.210 257 K HN 0.360 nan 8.250 nan 0.000 0.502 258 L N 0.345 121.612 121.223 0.072 0.000 2.511 258 L HA 0.213 4.554 4.340 0.001 0.000 0.247 258 L C -1.505 175.418 176.870 0.088 0.000 1.180 258 L CA -0.278 54.621 54.840 0.098 0.000 0.919 258 L CB -0.446 41.624 42.059 0.018 0.000 1.095 258 L HN 0.434 nan 8.230 nan 0.000 0.534 259 Y N 2.152 122.440 120.300 -0.021 0.000 2.410 259 Y HA 0.400 4.950 4.550 0.001 0.000 0.356 259 Y C 1.661 177.540 175.900 -0.035 0.000 1.259 259 Y CA 1.315 59.404 58.100 -0.019 0.000 1.518 259 Y CB 0.059 38.515 38.460 -0.007 0.000 1.350 259 Y HN 0.940 nan 8.280 nan 0.000 0.699 260 G N 1.513 110.393 108.800 0.132 0.000 3.284 260 G HA2 -0.206 3.754 3.960 0.001 0.000 0.665 260 G HA3 -0.206 3.754 3.960 0.001 0.000 0.665 260 G C -0.013 174.881 174.900 -0.011 0.000 0.894 260 G CA -0.789 44.342 45.100 0.052 0.000 0.838 260 G HN 0.499 nan 8.290 nan 0.000 0.501 261 R N 1.079 121.569 120.500 -0.017 0.000 2.896 261 R HA 0.120 4.461 4.340 0.001 0.000 0.283 261 R C 1.376 177.645 176.300 -0.052 0.000 1.201 261 R CA -0.172 55.905 56.100 -0.038 0.000 1.178 261 R CB 0.005 30.294 30.300 -0.018 0.000 1.152 261 R HN 0.821 nan 8.270 nan 0.000 0.590 262 E N 0.346 120.514 120.200 -0.053 0.000 2.778 262 E HA 0.030 4.380 4.350 0.001 0.000 0.318 262 E C 0.262 176.844 176.600 -0.030 0.000 1.309 262 E CA 0.385 56.754 56.400 -0.052 0.000 1.419 262 E CB -0.643 29.037 29.700 -0.034 0.000 1.150 262 E HN 0.708 nan 8.360 nan 0.000 0.492 263 G N 1.081 109.865 108.800 -0.027 0.000 4.338 263 G HA2 -0.206 3.754 3.960 0.001 0.000 0.195 263 G HA3 -0.206 3.754 3.960 0.001 0.000 0.195 263 G C 0.097 174.992 174.900 -0.008 0.000 1.164 263 G CA -0.085 45.007 45.100 -0.014 0.000 0.872 263 G HN 0.492 nan 8.290 nan 0.000 0.301 264 S N 1.708 117.406 115.700 -0.003 0.000 2.599 264 S HA 0.359 4.829 4.470 0.001 0.000 0.303 264 S C 0.696 175.300 174.600 0.006 0.000 1.267 264 S CA 0.727 58.931 58.200 0.006 0.000 1.055 264 S CB 0.632 63.840 63.200 0.014 0.000 0.790 264 S HN 1.838 nan 8.310 nan 0.000 0.500 265 S N 2.239 117.944 115.700 0.008 0.000 2.531 265 S HA 0.536 5.006 4.470 0.001 0.000 0.279 265 S C 0.707 175.313 174.600 0.010 0.000 1.305 265 S CA -0.429 57.775 58.200 0.007 0.000 1.058 265 S CB 0.366 63.571 63.200 0.007 0.000 0.899 265 S HN 2.436 nan 8.310 nan 0.000 0.493 266 A N 2.054 124.877 122.820 0.006 0.000 3.669 266 A HA -0.117 4.203 4.320 0.001 0.000 0.233 266 A C 0.358 177.949 177.584 0.011 0.000 1.284 266 A CA -0.144 51.896 52.037 0.004 0.000 0.821 266 A CB -2.158 16.843 19.000 0.002 0.000 0.998 266 A HN 0.819 nan 8.150 nan 0.000 0.536 267 R N 1.200 121.705 120.500 0.009 0.000 2.808 267 R HA 0.133 4.473 4.340 0.001 0.000 0.248 267 R C 0.867 177.180 176.300 0.021 0.000 1.539 267 R CA 0.964 57.075 56.100 0.018 0.000 1.071 267 R CB -0.259 30.034 30.300 -0.011 0.000 1.172 267 R HN 0.707 nan 8.270 nan 0.000 0.579 268 T N 1.769 116.342 114.554 0.031 0.000 2.882 268 T HA 0.373 4.724 4.350 0.001 0.000 0.287 268 T C 0.430 175.162 174.700 0.052 0.000 1.014 268 T CA -0.472 61.631 62.100 0.005 0.000 1.049 268 T CB 0.656 69.477 68.868 -0.078 0.000 1.001 268 T HN 0.336 nan 8.240 nan 0.000 0.525 269 I N 3.274 123.866 120.570 0.036 0.000 2.406 269 I HA 0.496 4.667 4.170 0.001 0.000 0.290 269 I C 0.190 176.343 176.117 0.060 0.000 0.999 269 I CA -0.836 60.507 61.300 0.071 0.000 1.124 269 I CB 1.779 39.812 38.000 0.055 0.000 1.289 269 I HN 0.638 nan 8.210 nan 0.000 0.441 270 K N 4.192 124.663 120.400 0.118 0.000 2.466 270 K HA 0.918 5.239 4.320 0.001 0.000 0.260 270 K C -1.363 175.301 176.600 0.107 0.000 1.011 270 K CA -0.862 55.487 56.287 0.103 0.000 0.871 270 K CB 2.899 35.468 32.500 0.115 0.000 1.404 270 K HN 0.648 nan 8.250 nan 0.000 0.450 271 A N 0.615 123.482 122.820 0.079 0.000 2.549 271 A HA 0.615 4.935 4.320 0.001 0.000 0.297 271 A C -1.179 176.429 177.584 0.040 0.000 1.061 271 A CA -0.678 51.385 52.037 0.043 0.000 0.690 271 A CB 1.655 20.660 19.000 0.008 0.000 1.287 271 A HN 0.504 nan 8.150 nan 0.000 0.402 272 T N 2.004 116.564 114.554 0.010 0.000 2.829 272 T HA 0.637 4.988 4.350 0.001 0.000 0.282 272 T C -0.343 174.336 174.700 -0.035 0.000 0.990 272 T CA -0.183 61.921 62.100 0.006 0.000 1.028 272 T CB 0.597 69.467 68.868 0.004 0.000 0.951 272 T HN 0.453 nan 8.240 nan 0.000 0.460 273 L N 4.218 125.434 121.223 -0.013 0.000 2.362 273 L HA 0.461 4.802 4.340 0.001 0.000 0.271 273 L C -2.143 174.732 176.870 0.007 0.000 1.002 273 L CA -2.794 52.028 54.840 -0.030 0.000 0.818 273 L CB 2.190 44.261 42.059 0.020 0.000 1.298 273 L HN 0.381 nan 8.230 nan 0.000 0.420 274 P HA -0.109 nan 4.420 nan 0.000 0.260 274 P C -0.887 176.592 177.300 0.298 0.000 1.172 274 P CA 0.455 63.636 63.100 0.136 0.000 0.760 274 P CB 0.090 31.847 31.700 0.095 0.000 0.773 275 Y N 0.518 120.780 120.300 -0.064 0.000 4.134 275 Y HA -0.167 4.383 4.550 0.001 0.000 0.234 275 Y C 0.442 176.335 175.900 -0.011 0.000 1.200 275 Y CA 0.268 58.358 58.100 -0.017 0.000 1.958 275 Y CB -2.455 36.003 38.460 -0.003 0.000 1.605 275 Y HN 0.400 nan 8.280 nan 0.000 0.690 276 I N -0.007 120.612 120.570 0.082 0.000 2.563 276 I HA 0.133 4.304 4.170 0.001 0.000 0.276 276 I C 1.177 177.313 176.117 0.032 0.000 1.074 276 I CA -0.832 60.500 61.300 0.053 0.000 1.124 276 I CB 1.321 39.342 38.000 0.035 0.000 1.225 276 I HN 0.040 nan 8.210 nan 0.000 0.482 277 K N 2.571 122.988 120.400 0.029 0.000 2.242 277 K HA -0.214 4.106 4.320 0.001 0.000 0.206 277 K C 0.870 177.480 176.600 0.017 0.000 1.045 277 K CA 1.611 57.905 56.287 0.011 0.000 0.930 277 K CB 0.095 32.600 32.500 0.009 0.000 0.726 277 K HN 0.559 nan 8.250 nan 0.000 0.462 278 Q N -0.157 119.659 119.800 0.026 0.000 2.572 278 Q HA 0.119 4.460 4.340 0.001 0.000 0.284 278 Q C -1.134 174.906 176.000 0.066 0.000 1.091 278 Q CA -0.923 54.907 55.803 0.044 0.000 0.840 278 Q CB 1.758 30.520 28.738 0.040 0.000 1.433 278 Q HN -0.042 nan 8.270 nan 0.000 0.471 279 D N 0.341 120.797 120.400 0.094 0.000 2.423 279 D HA 0.470 5.111 4.640 0.001 0.000 0.255 279 D C -0.362 176.013 176.300 0.126 0.000 1.174 279 D CA 0.043 54.109 54.000 0.110 0.000 1.008 279 D CB 0.848 41.741 40.800 0.155 0.000 1.101 279 D HN 0.397 nan 8.370 nan 0.000 0.516 280 I N 0.432 121.070 120.570 0.113 0.000 2.722 280 I HA 0.190 4.361 4.170 0.001 0.000 0.295 280 I C -2.622 173.532 176.117 0.061 0.000 1.161 280 I CA -2.151 59.222 61.300 0.123 0.000 1.032 280 I CB 3.054 41.139 38.000 0.141 0.000 1.244 280 I HN -0.016 nan 8.210 nan 0.000 0.421 281 P HA 0.192 nan 4.420 nan 0.000 0.282 281 P C 1.090 178.400 177.300 0.016 0.000 1.262 281 P CA -0.211 62.886 63.100 -0.005 0.000 0.773 281 P CB 0.798 32.467 31.700 -0.052 0.000 0.879 282 I N 1.430 122.015 120.570 0.025 0.000 2.462 282 I HA -0.288 3.883 4.170 0.001 0.000 0.259 282 I C 1.452 177.608 176.117 0.066 0.000 1.156 282 I CA 1.331 62.630 61.300 -0.002 0.000 1.417 282 I CB -1.208 36.804 38.000 0.020 0.000 1.088 282 I HN -0.000 nan 8.210 nan 0.000 0.442 283 V N 2.203 122.188 119.914 0.119 0.000 2.216 283 V HA -0.285 3.835 4.120 0.001 0.000 0.242 283 V C 2.572 178.752 176.094 0.143 0.000 1.042 283 V CA 2.348 64.755 62.300 0.178 0.000 0.991 283 V CB -0.893 30.989 31.823 0.100 0.000 0.633 283 V HN 0.396 nan 8.190 nan 0.000 0.449 284 I N 0.192 120.790 120.570 0.047 0.000 2.181 284 I HA -0.328 3.843 4.170 0.001 0.000 0.247 284 I C 2.379 178.537 176.117 0.069 0.000 1.081 284 I CA 2.097 63.415 61.300 0.029 0.000 1.340 284 I CB -0.546 37.431 38.000 -0.038 0.000 1.036 284 I HN 0.278 nan 8.210 nan 0.000 0.417 285 I N -0.482 120.116 120.570 0.046 0.000 2.614 285 I HA -0.259 3.912 4.170 0.001 0.000 0.258 285 I C 2.277 178.378 176.117 -0.027 0.000 1.189 285 I CA 1.432 62.734 61.300 0.003 0.000 1.462 285 I CB -0.309 37.678 38.000 -0.022 0.000 1.092 285 I HN 0.133 nan 8.210 nan 0.000 0.442 286 F N 0.811 120.781 119.950 0.034 0.000 2.179 286 F HA -0.061 4.466 4.527 0.001 0.000 0.292 286 F C 2.741 178.544 175.800 0.005 0.000 1.089 286 F CA 0.713 58.722 58.000 0.014 0.000 1.295 286 F CB -0.035 38.991 39.000 0.045 0.000 1.041 286 F HN -0.183 nan 8.300 nan 0.000 0.487 287 R N 0.159 120.796 120.500 0.228 0.000 2.075 287 R HA -0.112 4.228 4.340 0.001 0.000 0.232 287 R C 2.307 178.662 176.300 0.091 0.000 1.126 287 R CA 1.119 57.297 56.100 0.130 0.000 0.963 287 R CB -0.694 29.664 30.300 0.097 0.000 0.858 287 R HN 0.218 nan 8.270 nan 0.000 0.435 288 A N 0.848 123.715 122.820 0.079 0.000 2.076 288 A HA -0.123 4.198 4.320 0.001 0.000 0.220 288 A C 2.018 179.615 177.584 0.022 0.000 1.160 288 A CA 1.081 53.147 52.037 0.049 0.000 0.653 288 A CB -0.355 18.673 19.000 0.048 0.000 0.801 288 A HN 0.244 nan 8.150 nan 0.000 0.455 289 L N -2.044 119.198 121.223 0.031 0.000 2.307 289 L HA 0.204 4.544 4.340 0.001 0.000 0.211 289 L C 1.327 178.215 176.870 0.029 0.000 1.099 289 L CA 0.810 55.651 54.840 0.001 0.000 0.816 289 L CB 0.175 42.242 42.059 0.014 0.000 0.952 289 L HN 0.592 nan 8.230 nan 0.000 0.455 290 G N 0.938 109.771 108.800 0.056 0.000 2.629 290 G HA2 -0.132 3.828 3.960 0.001 0.000 0.154 290 G HA3 -0.132 3.828 3.960 0.001 0.000 0.154 290 G C -0.313 174.624 174.900 0.062 0.000 1.077 290 G CA -0.551 44.578 45.100 0.048 0.000 0.831 290 G HN 0.191 nan 8.290 nan 0.000 0.495 291 I N 0.793 121.410 120.570 0.078 0.000 2.769 291 I HA 0.248 4.419 4.170 0.001 0.000 0.272 291 I C 1.408 177.563 176.117 0.063 0.000 1.408 291 I CA -0.696 60.646 61.300 0.070 0.000 0.925 291 I CB 0.486 38.518 38.000 0.054 0.000 1.407 291 I HN 0.141 nan 8.210 nan 0.000 0.550 292 I N 3.239 123.840 120.570 0.051 0.000 2.202 292 I HA -0.013 4.157 4.170 0.001 0.000 0.242 292 I C -0.997 175.144 176.117 0.040 0.000 1.091 292 I CA 0.645 61.975 61.300 0.049 0.000 1.368 292 I CB -0.911 37.113 38.000 0.041 0.000 1.058 292 I HN 0.307 nan 8.210 nan 0.000 0.410 293 P HA 0.092 nan 4.420 nan 0.000 0.274 293 P C -0.896 176.404 177.300 0.001 0.000 1.231 293 P CA -0.001 63.109 63.100 0.016 0.000 0.790 293 P CB 0.767 32.471 31.700 0.007 0.000 0.951 294 D N 0.335 120.739 120.400 0.007 0.000 2.314 294 D HA 0.204 4.844 4.640 0.001 0.000 0.252 294 D C 1.816 178.097 176.300 -0.033 0.000 1.295 294 D CA 0.908 54.905 54.000 -0.005 0.000 0.995 294 D CB -0.628 40.173 40.800 0.001 0.000 1.125 294 D HN 0.656 nan 8.370 nan 0.000 0.537 295 G N -0.132 108.645 108.800 -0.039 0.000 2.771 295 G HA2 -0.481 3.479 3.960 0.001 0.000 0.239 295 G HA3 -0.481 3.479 3.960 0.001 0.000 0.239 295 G C 1.078 175.924 174.900 -0.091 0.000 1.087 295 G CA 1.245 46.314 45.100 -0.051 0.000 0.712 295 G HN 0.609 nan 8.290 nan 0.000 0.541 296 E N 0.126 120.261 120.200 -0.108 0.000 2.299 296 E HA 0.198 4.549 4.350 0.001 0.000 0.193 296 E C 2.537 178.942 176.600 -0.325 0.000 0.998 296 E CA 0.488 56.779 56.400 -0.183 0.000 0.851 296 E CB -0.101 29.537 29.700 -0.103 0.000 0.795 296 E HN 0.681 nan 8.360 nan 0.000 0.492 297 I N 0.627 121.052 120.570 -0.242 0.000 2.400 297 I HA -0.183 3.988 4.170 0.001 0.000 0.248 297 I C 1.912 177.846 176.117 -0.306 0.000 1.109 297 I CA 0.291 61.366 61.300 -0.376 0.000 1.425 297 I CB 0.014 37.878 38.000 -0.227 0.000 1.094 297 I HN 0.221 nan 8.210 nan 0.000 0.425 298 L N 0.564 121.700 121.223 -0.145 0.000 2.265 298 L HA -0.169 4.171 4.340 0.001 0.000 0.215 298 L C 2.475 179.319 176.870 -0.043 0.000 1.117 298 L CA 1.541 56.352 54.840 -0.048 0.000 0.782 298 L CB -1.213 40.836 42.059 -0.017 0.000 0.914 298 L HN 0.338 nan 8.230 nan 0.000 0.441 299 E N -0.350 119.747 120.200 -0.172 0.000 2.031 299 E HA -0.205 4.146 4.350 0.001 0.000 0.193 299 E C 2.034 178.559 176.600 -0.124 0.000 0.994 299 E CA 1.112 57.409 56.400 -0.172 0.000 0.800 299 E CB -0.230 29.244 29.700 -0.376 0.000 0.752 299 E HN 0.580 nan 8.360 nan 0.000 0.447 300 H N -0.020 118.951 119.070 -0.165 0.000 2.489 300 H HA -0.014 4.543 4.556 0.001 0.000 0.293 300 H C 2.201 177.698 175.328 0.282 0.000 1.066 300 H CA 0.757 56.678 56.048 -0.211 0.000 1.305 300 H CB 0.076 29.498 29.762 -0.567 0.000 1.386 300 H HN 0.208 nan 8.280 nan 0.000 0.551 301 I N -0.580 120.192 120.570 0.337 0.000 2.512 301 I HA -0.061 4.109 4.170 0.001 0.000 0.247 301 I C 1.002 177.304 176.117 0.309 0.000 1.094 301 I CA 0.280 61.788 61.300 0.345 0.000 1.427 301 I CB 0.389 38.527 38.000 0.230 0.000 1.149 301 I HN 0.079 nan 8.210 nan 0.000 0.438 302 C N 1.266 120.740 119.300 0.289 0.000 2.295 302 C HA 0.304 4.764 4.460 0.001 0.000 0.331 302 C C 0.932 176.230 174.990 0.512 0.000 1.280 302 C CA -0.416 58.754 59.018 0.253 0.000 1.746 302 C CB -0.506 27.315 27.740 0.135 0.000 2.328 302 C HN 0.427 nan 8.230 nan 0.000 0.521 303 Y N 2.739 123.160 120.300 0.201 0.000 2.493 303 Y HA 0.260 4.811 4.550 0.001 0.000 0.275 303 Y C 0.838 176.854 175.900 0.194 0.000 1.183 303 Y CA -0.425 57.826 58.100 0.252 0.000 1.258 303 Y CB 0.260 38.916 38.460 0.327 0.000 1.108 303 Y HN 0.630 nan 8.280 nan 0.000 0.521 304 D N 0.504 121.071 120.400 0.278 0.000 2.470 304 D HA 0.112 4.753 4.640 0.001 0.000 0.233 304 D C -0.091 176.286 176.300 0.128 0.000 1.372 304 D CA -0.204 53.907 54.000 0.185 0.000 0.994 304 D CB 2.142 43.036 40.800 0.157 0.000 1.377 304 D HN -0.089 nan 8.370 nan 0.000 0.586 305 V N 3.518 123.481 119.914 0.082 0.000 3.564 305 V HA 0.052 4.172 4.120 0.001 0.000 0.283 305 V C 0.764 176.899 176.094 0.068 0.000 1.227 305 V CA 0.465 62.789 62.300 0.040 0.000 1.217 305 V CB -0.983 30.807 31.823 -0.055 0.000 0.994 305 V HN 0.435 nan 8.190 nan 0.000 0.446 306 N N 1.071 119.833 118.700 0.104 0.000 2.553 306 N HA 0.149 4.890 4.740 0.001 0.000 0.298 306 N C -0.065 175.569 175.510 0.207 0.000 1.596 306 N CA 0.040 53.172 53.050 0.137 0.000 0.910 306 N CB 0.834 39.383 38.487 0.102 0.000 1.336 306 N HN 0.332 nan 8.380 nan 0.000 0.497 307 D N 0.669 121.191 120.400 0.203 0.000 2.908 307 D HA 0.022 4.663 4.640 0.001 0.000 0.361 307 D C 1.457 177.803 176.300 0.077 0.000 1.416 307 D CA -0.540 53.540 54.000 0.133 0.000 0.796 307 D CB 0.022 40.852 40.800 0.050 0.000 1.185 307 D HN 0.192 nan 8.370 nan 0.000 0.451 308 W N 0.991 122.294 121.300 0.006 0.000 2.258 308 W HA -0.297 4.363 4.660 0.001 0.000 0.302 308 W C 1.164 177.684 176.519 0.002 0.000 1.241 308 W CA 0.688 58.034 57.345 0.001 0.000 1.246 308 W CB -1.109 28.350 29.460 -0.003 0.000 1.134 308 W HN 0.190 nan 8.180 nan 0.000 0.531 309 Q N 0.655 119.907 119.800 -0.912 0.000 1.921 309 Q HA -0.267 4.073 4.340 0.001 0.000 0.208 309 Q C 2.500 178.296 176.000 -0.339 0.000 0.994 309 Q CA 2.484 57.797 55.803 -0.815 0.000 0.857 309 Q CB -0.899 27.360 28.738 -0.798 0.000 0.925 309 Q HN 0.450 nan 8.270 nan 0.000 0.421 310 M N 0.754 120.215 119.600 -0.233 0.000 2.089 310 M HA -0.244 4.237 4.480 0.001 0.000 0.257 310 M C 2.066 178.327 176.300 -0.065 0.000 1.071 310 M CA 1.574 56.803 55.300 -0.118 0.000 1.096 310 M CB -0.167 32.387 32.600 -0.076 0.000 1.330 310 M HN 0.173 nan 8.290 nan 0.000 0.403 311 L N 0.037 121.239 121.223 -0.035 0.000 1.944 311 L HA -0.276 4.064 4.340 0.001 0.000 0.218 311 L C 2.528 179.400 176.870 0.003 0.000 1.075 311 L CA 1.975 56.823 54.840 0.013 0.000 0.767 311 L CB -1.189 40.906 42.059 0.060 0.000 0.890 311 L HN 0.374 nan 8.230 nan 0.000 0.434 312 E N 0.340 120.541 120.200 0.001 0.000 2.119 312 E HA -0.320 4.030 4.350 0.001 0.000 0.221 312 E C 2.116 178.705 176.600 -0.019 0.000 1.062 312 E CA 2.293 58.695 56.400 0.003 0.000 0.894 312 E CB -0.375 29.306 29.700 -0.031 0.000 0.785 312 E HN 0.221 nan 8.360 nan 0.000 0.472 313 M N -0.416 119.153 119.600 -0.051 0.000 2.226 313 M HA -0.256 4.225 4.480 0.001 0.000 0.257 313 M C 2.602 178.894 176.300 -0.012 0.000 1.070 313 M CA 1.869 57.144 55.300 -0.041 0.000 1.087 313 M CB -1.174 31.392 32.600 -0.055 0.000 1.278 313 M HN 0.251 nan 8.290 nan 0.000 0.426 314 L N -0.493 120.730 121.223 0.000 0.000 2.189 314 L HA -0.245 4.096 4.340 0.001 0.000 0.214 314 L C 2.557 179.438 176.870 0.017 0.000 1.097 314 L CA 1.083 55.936 54.840 0.021 0.000 0.764 314 L CB -0.681 41.400 42.059 0.037 0.000 0.900 314 L HN 0.364 nan 8.230 nan 0.000 0.436 315 K N 0.216 120.621 120.400 0.008 0.000 2.000 315 K HA -0.207 4.113 4.320 0.001 0.000 0.218 315 K C -0.348 176.250 176.600 -0.003 0.000 1.053 315 K CA 2.193 58.481 56.287 0.002 0.000 0.946 315 K CB -1.252 31.250 32.500 0.003 0.000 0.723 315 K HN 0.279 nan 8.250 nan 0.000 0.446 316 P HA -0.187 nan 4.420 nan 0.000 0.220 316 P C 1.564 178.864 177.300 0.000 0.000 1.144 316 P CA 1.177 64.275 63.100 -0.004 0.000 0.800 316 P CB -0.149 31.549 31.700 -0.004 0.000 0.772 317 C N -0.393 118.913 119.300 0.009 0.000 2.476 317 C HA -0.067 4.393 4.460 0.001 0.000 0.278 317 C C 2.792 177.798 174.990 0.028 0.000 1.274 317 C CA 0.519 59.547 59.018 0.018 0.000 1.713 317 C CB -1.436 26.325 27.740 0.035 0.000 2.039 317 C HN 0.053 nan 8.230 nan 0.000 0.484 318 V N 1.281 121.213 119.914 0.030 0.000 2.252 318 V HA -0.282 3.839 4.120 0.001 0.000 0.249 318 V C 2.402 178.523 176.094 0.046 0.000 1.056 318 V CA 2.600 64.922 62.300 0.037 0.000 1.022 318 V CB -0.996 30.834 31.823 0.012 0.000 0.641 318 V HN 0.607 nan 8.190 nan 0.000 0.445 319 E N -0.378 119.832 120.200 0.017 0.000 2.267 319 E HA -0.284 4.066 4.350 0.001 0.000 0.197 319 E C 1.895 178.552 176.600 0.095 0.000 0.998 319 E CA 1.354 57.777 56.400 0.039 0.000 0.830 319 E CB -0.222 29.473 29.700 -0.008 0.000 0.751 319 E HN 0.678 nan 8.360 nan 0.000 0.491 320 D N -0.054 120.371 120.400 0.041 0.000 2.084 320 D HA -0.101 4.540 4.640 0.001 0.000 0.194 320 D C 1.820 178.114 176.300 -0.011 0.000 0.990 320 D CA 1.487 55.489 54.000 0.004 0.000 0.826 320 D CB -0.222 40.560 40.800 -0.030 0.000 0.971 320 D HN 0.183 nan 8.370 nan 0.000 0.453 321 G N -1.264 107.540 108.800 0.005 0.000 3.181 321 G HA2 -0.095 3.866 3.960 0.001 0.000 0.219 321 G HA3 -0.095 3.866 3.960 0.001 0.000 0.219 321 G C 0.936 175.864 174.900 0.046 0.000 1.182 321 G CA -0.241 44.840 45.100 -0.031 0.000 0.791 321 G HN 0.261 nan 8.290 nan 0.000 0.537 322 F N 1.586 121.504 119.950 -0.054 0.000 2.307 322 F HA -0.118 4.409 4.527 0.001 0.000 0.301 322 F C 2.095 177.872 175.800 -0.038 0.000 1.076 322 F CA 0.898 58.877 58.000 -0.034 0.000 1.383 322 F CB -0.033 38.952 39.000 -0.025 0.000 1.055 322 F HN 0.034 nan 8.300 nan 0.000 0.526 323 V N 0.616 120.377 119.914 -0.255 0.000 2.759 323 V HA -0.125 3.995 4.120 0.001 0.000 0.256 323 V C 1.475 177.427 176.094 -0.237 0.000 1.080 323 V CA 0.835 62.927 62.300 -0.347 0.000 1.101 323 V CB -0.703 30.991 31.823 -0.215 0.000 0.698 323 V HN 0.126 nan 8.190 nan 0.000 0.477 324 I N -0.289 120.187 120.570 -0.157 0.000 2.577 324 I HA 0.350 4.520 4.170 0.001 0.000 0.305 324 I C 0.690 176.780 176.117 -0.046 0.000 0.986 324 I CA -0.060 61.187 61.300 -0.088 0.000 1.189 324 I CB 1.834 39.790 38.000 -0.074 0.000 1.355 324 I HN 0.033 nan 8.210 nan 0.000 0.476 325 Q N 2.408 122.198 119.800 -0.017 0.000 1.930 325 Q HA 0.135 4.476 4.340 0.001 0.000 0.190 325 Q C -1.573 174.442 176.000 0.024 0.000 0.766 325 Q CA -0.167 55.642 55.803 0.011 0.000 0.931 325 Q CB 0.575 29.312 28.738 -0.002 0.000 1.227 325 Q HN 0.768 nan 8.270 nan 0.000 0.417 326 D N -2.688 117.727 120.400 0.025 0.000 2.639 326 D HA 0.148 4.788 4.640 0.001 0.000 0.271 326 D C 0.121 176.444 176.300 0.038 0.000 1.254 326 D CA -0.655 53.363 54.000 0.031 0.000 0.810 326 D CB 0.473 41.287 40.800 0.024 0.000 1.351 326 D HN -0.022 nan 8.370 nan 0.000 0.427 327 R N 0.086 120.609 120.500 0.038 0.000 2.127 327 R HA -0.130 4.211 4.340 0.001 0.000 0.238 327 R C 1.575 177.900 176.300 0.042 0.000 1.134 327 R CA 1.929 58.053 56.100 0.040 0.000 0.975 327 R CB 0.069 30.390 30.300 0.034 0.000 0.865 327 R HN 0.529 nan 8.270 nan 0.000 0.447 328 E N -1.096 119.126 120.200 0.037 0.000 2.007 328 E HA -0.145 4.205 4.350 0.001 0.000 0.194 328 E C 1.811 178.441 176.600 0.050 0.000 0.999 328 E CA 1.909 58.333 56.400 0.039 0.000 0.811 328 E CB -0.063 29.656 29.700 0.032 0.000 0.762 328 E HN 0.316 nan 8.360 nan 0.000 0.450 329 T N 0.989 115.572 114.554 0.048 0.000 2.962 329 T HA -0.068 4.282 4.350 0.001 0.000 0.270 329 T C 1.802 176.554 174.700 0.088 0.000 1.088 329 T CA 0.820 62.958 62.100 0.063 0.000 1.127 329 T CB -0.114 68.777 68.868 0.040 0.000 0.883 329 T HN 0.222 nan 8.240 nan 0.000 0.493 330 A N 1.677 124.539 122.820 0.070 0.000 1.845 330 A HA 0.003 4.324 4.320 0.001 0.000 0.215 330 A C 2.101 179.749 177.584 0.106 0.000 1.195 330 A CA 1.251 53.337 52.037 0.080 0.000 0.616 330 A CB -0.884 18.155 19.000 0.065 0.000 0.832 330 A HN 0.373 nan 8.150 nan 0.000 0.443 331 L N 0.326 121.598 121.223 0.082 0.000 2.191 331 L HA -0.145 4.195 4.340 0.001 0.000 0.212 331 L C 2.046 178.972 176.870 0.093 0.000 1.103 331 L CA 2.067 56.953 54.840 0.076 0.000 0.769 331 L CB -0.743 41.349 42.059 0.054 0.000 0.908 331 L HN 0.651 nan 8.230 nan 0.000 0.438 332 D N -0.599 119.863 120.400 0.104 0.000 2.081 332 D HA -0.310 4.331 4.640 0.001 0.000 0.194 332 D C 2.166 178.538 176.300 0.120 0.000 0.986 332 D CA 1.306 55.367 54.000 0.101 0.000 0.837 332 D CB -0.296 40.563 40.800 0.099 0.000 0.985 332 D HN 0.162 nan 8.370 nan 0.000 0.448 333 F N 0.706 120.672 119.950 0.027 0.000 2.106 333 F HA -0.240 4.287 4.527 0.001 0.000 0.299 333 F C 2.131 177.951 175.800 0.034 0.000 1.082 333 F CA 1.646 59.662 58.000 0.027 0.000 1.244 333 F CB -0.275 38.738 39.000 0.021 0.000 0.997 333 F HN 0.124 nan 8.300 nan 0.000 0.486 334 I N -0.718 119.955 120.570 0.172 0.000 2.315 334 I HA -0.227 3.943 4.170 0.001 0.000 0.248 334 I C 2.650 178.781 176.117 0.023 0.000 1.117 334 I CA 1.364 62.719 61.300 0.090 0.000 1.404 334 I CB -1.217 36.843 38.000 0.100 0.000 1.071 334 I HN 0.260 nan 8.210 nan 0.000 0.419 335 G N 0.499 109.325 108.800 0.044 0.000 2.484 335 G HA2 -0.141 3.819 3.960 0.001 0.000 0.218 335 G HA3 -0.141 3.819 3.960 0.001 0.000 0.218 335 G C 1.803 176.753 174.900 0.085 0.000 1.130 335 G CA 0.114 45.270 45.100 0.093 0.000 0.784 335 G HN 0.313 nan 8.290 nan 0.000 0.543 336 R N -0.404 120.083 120.500 -0.021 0.000 2.173 336 R HA 0.144 4.484 4.340 0.001 0.000 0.208 336 R C 2.480 178.728 176.300 -0.087 0.000 1.035 336 R CA 0.019 56.083 56.100 -0.060 0.000 1.004 336 R CB -0.021 30.204 30.300 -0.126 0.000 0.917 336 R HN 0.081 nan 8.270 nan 0.000 0.462 337 R N 0.081 120.497 120.500 -0.140 0.000 2.115 337 R HA 0.032 4.373 4.340 0.001 0.000 0.226 337 R C 2.111 178.406 176.300 -0.009 0.000 1.100 337 R CA 1.347 57.373 56.100 -0.123 0.000 0.980 337 R CB -0.724 29.464 30.300 -0.186 0.000 0.875 337 R HN 0.288 nan 8.270 nan 0.000 0.445 338 G N -0.876 107.962 108.800 0.063 0.000 2.411 338 G HA2 -0.106 3.855 3.960 0.001 0.000 0.213 338 G HA3 -0.106 3.855 3.960 0.001 0.000 0.213 338 G C 0.937 175.963 174.900 0.209 0.000 1.166 338 G CA 1.097 46.281 45.100 0.139 0.000 0.802 338 G HN 0.313 nan 8.290 nan 0.000 0.533 339 T N -0.403 114.299 114.554 0.246 0.000 3.601 339 T HA 0.483 4.834 4.350 0.001 0.000 0.242 339 T C 1.274 175.981 174.700 0.010 0.000 0.958 339 T CA 0.326 62.494 62.100 0.113 0.000 1.120 339 T CB -0.536 68.349 68.868 0.029 0.000 1.154 339 T HN 0.512 nan 8.240 nan 0.000 0.375 340 A N 0.999 123.810 122.820 -0.015 0.000 2.667 340 A HA 0.205 4.525 4.320 0.001 0.000 0.225 340 A C 0.771 178.340 177.584 -0.024 0.000 1.190 340 A CA 0.998 53.013 52.037 -0.035 0.000 0.961 340 A CB -0.215 18.787 19.000 0.002 0.000 1.011 340 A HN 0.611 nan 8.150 nan 0.000 0.503 341 L N -0.280 120.926 121.223 -0.028 0.000 1.665 341 L HA 0.227 4.567 4.340 0.001 0.000 0.152 341 L C 1.965 178.824 176.870 -0.018 0.000 1.320 341 L CA 0.595 55.422 54.840 -0.022 0.000 1.147 341 L CB -0.145 41.901 42.059 -0.022 0.000 2.398 341 L HN 0.832 nan 8.230 nan 0.000 0.483 342 G N 0.289 109.076 108.800 -0.021 0.000 3.126 342 G HA2 0.271 4.231 3.960 0.001 0.000 0.224 342 G HA3 0.271 4.231 3.960 0.001 0.000 0.224 342 G C 0.565 175.456 174.900 -0.014 0.000 1.142 342 G CA -0.216 44.875 45.100 -0.016 0.000 0.759 342 G HN 0.061 nan 8.290 nan 0.000 0.550 343 I N 0.856 121.415 120.570 -0.019 0.000 2.815 343 I HA -0.002 4.168 4.170 0.001 0.000 0.291 343 I C 0.316 176.432 176.117 -0.001 0.000 1.209 343 I CA 0.596 61.887 61.300 -0.014 0.000 1.431 343 I CB 0.844 38.833 38.000 -0.019 0.000 1.351 343 I HN -0.041 nan 8.210 nan 0.000 0.585 344 K N 7.141 127.543 120.400 0.003 0.000 2.363 344 K HA 0.205 4.526 4.320 0.001 0.000 0.240 344 K C 0.416 177.025 176.600 0.016 0.000 1.169 344 K CA -0.334 55.958 56.287 0.008 0.000 1.131 344 K CB 0.406 32.910 32.500 0.007 0.000 1.771 344 K HN 0.503 nan 8.250 nan 0.000 0.380 345 K N 0.450 120.862 120.400 0.020 0.000 10.951 345 K HA -0.416 3.904 4.320 0.001 0.000 0.527 345 K C 1.185 177.807 176.600 0.037 0.000 0.394 345 K CA 2.510 58.815 56.287 0.029 0.000 1.929 345 K CB -0.740 31.776 32.500 0.026 0.000 0.787 345 K HN 0.506 nan 8.250 nan 0.000 1.223 346 E N 0.812 121.031 120.200 0.032 0.000 2.147 346 E HA -0.229 4.121 4.350 0.001 0.000 0.199 346 E C 1.865 178.492 176.600 0.046 0.000 1.005 346 E CA 1.718 58.140 56.400 0.036 0.000 0.810 346 E CB -0.104 29.613 29.700 0.028 0.000 0.736 346 E HN 0.381 nan 8.360 nan 0.000 0.460 347 K N 0.208 120.633 120.400 0.042 0.000 2.167 347 K HA -0.037 4.283 4.320 0.001 0.000 0.203 347 K C 2.182 178.838 176.600 0.093 0.000 1.052 347 K CA 0.506 56.823 56.287 0.051 0.000 0.956 347 K CB 0.020 32.531 32.500 0.018 0.000 0.735 347 K HN 0.009 nan 8.250 nan 0.000 0.451 348 R N 0.831 121.380 120.500 0.082 0.000 2.070 348 R HA -0.039 4.302 4.340 0.001 0.000 0.233 348 R C 2.273 178.649 176.300 0.125 0.000 1.137 348 R CA 1.348 57.517 56.100 0.116 0.000 0.945 348 R CB -0.338 30.006 30.300 0.073 0.000 0.845 348 R HN 0.139 nan 8.270 nan 0.000 0.430 349 I N 0.518 121.140 120.570 0.086 0.000 2.493 349 I HA -0.231 3.939 4.170 0.001 0.000 0.254 349 I C 2.426 178.589 176.117 0.077 0.000 1.160 349 I CA 0.885 62.228 61.300 0.072 0.000 1.445 349 I CB -0.111 37.922 38.000 0.055 0.000 1.086 349 I HN 0.173 nan 8.210 nan 0.000 0.433 350 Q N 0.358 120.214 119.800 0.093 0.000 2.049 350 Q HA -0.224 4.116 4.340 0.001 0.000 0.198 350 Q C 2.065 178.153 176.000 0.146 0.000 0.971 350 Q CA 1.699 57.560 55.803 0.097 0.000 0.833 350 Q CB -0.555 28.236 28.738 0.087 0.000 0.896 350 Q HN 0.488 nan 8.270 nan 0.000 0.434 351 Y N 0.213 120.526 120.300 0.021 0.000 2.315 351 Y HA -0.125 4.425 4.550 0.001 0.000 0.288 351 Y C 1.790 177.707 175.900 0.028 0.000 1.154 351 Y CA 1.278 59.392 58.100 0.022 0.000 1.229 351 Y CB -0.570 37.906 38.460 0.025 0.000 0.980 351 Y HN 0.157 nan 8.280 nan 0.000 0.540 352 A N -0.030 122.803 122.820 0.022 0.000 1.855 352 A HA -0.090 4.231 4.320 0.001 0.000 0.213 352 A C 2.291 179.857 177.584 -0.030 0.000 1.195 352 A CA 1.318 53.324 52.037 -0.051 0.000 0.610 352 A CB -0.449 18.559 19.000 0.015 0.000 0.837 352 A HN 0.388 nan 8.150 nan 0.000 0.444 353 K N 0.050 120.457 120.400 0.011 0.000 2.044 353 K HA -0.199 4.121 4.320 0.001 0.000 0.210 353 K C 1.594 178.197 176.600 0.005 0.000 1.049 353 K CA 1.751 58.045 56.287 0.012 0.000 0.927 353 K CB -0.319 32.198 32.500 0.029 0.000 0.713 353 K HN 0.482 nan 8.250 nan 0.000 0.443 354 D N 0.917 121.322 120.400 0.008 0.000 2.078 354 D HA -0.141 4.499 4.640 0.001 0.000 0.193 354 D C 1.985 178.262 176.300 -0.038 0.000 0.990 354 D CA 1.133 55.135 54.000 0.003 0.000 0.827 354 D CB -0.315 40.507 40.800 0.037 0.000 0.975 354 D HN 0.182 nan 8.370 nan 0.000 0.451 355 I N 0.820 121.318 120.570 -0.121 0.000 2.399 355 I HA -0.248 3.922 4.170 0.001 0.000 0.254 355 I C 2.303 178.423 176.117 0.005 0.000 1.146 355 I CA 0.746 61.961 61.300 -0.142 0.000 1.412 355 I CB -0.146 37.691 38.000 -0.271 0.000 1.076 355 I HN -0.008 nan 8.210 nan 0.000 0.432 356 L N -0.532 120.700 121.223 0.016 0.000 2.375 356 L HA -0.086 4.254 4.340 0.001 0.000 0.215 356 L C 2.258 179.150 176.870 0.037 0.000 1.108 356 L CA 0.786 55.651 54.840 0.042 0.000 0.830 356 L CB -0.168 41.860 42.059 -0.052 0.000 0.959 356 L HN 0.264 nan 8.230 nan 0.000 0.457 357 Q N -0.933 118.885 119.800 0.030 0.000 2.392 357 Q HA 0.013 4.354 4.340 0.001 0.000 0.219 357 Q C 1.589 177.619 176.000 0.050 0.000 0.895 357 Q CA 0.456 56.281 55.803 0.036 0.000 0.929 357 Q CB 0.627 29.384 28.738 0.032 0.000 1.077 357 Q HN 0.323 nan 8.270 nan 0.000 0.532 358 K N -0.446 119.983 120.400 0.049 0.000 2.436 358 K HA 0.086 4.406 4.320 0.001 0.000 0.198 358 K C 1.103 177.750 176.600 0.078 0.000 1.174 358 K CA 0.326 56.652 56.287 0.065 0.000 0.951 358 K CB 0.870 33.404 32.500 0.057 0.000 1.040 358 K HN -0.029 nan 8.250 nan 0.000 0.536 359 E N -0.148 120.072 120.200 0.033 0.000 2.447 359 E HA 0.072 4.422 4.350 0.001 0.000 0.204 359 E C -0.318 176.324 176.600 0.069 0.000 0.977 359 E CA -0.102 56.293 56.400 -0.007 0.000 0.950 359 E CB 0.411 30.023 29.700 -0.147 0.000 0.975 359 E HN 0.079 nan 8.360 nan 0.000 0.496 360 F N 2.158 122.101 119.950 -0.012 0.000 2.421 360 F HA 0.164 4.691 4.527 0.001 0.000 0.358 360 F C 0.702 176.527 175.800 0.041 0.000 1.115 360 F CA -0.809 57.201 58.000 0.015 0.000 1.160 360 F CB 0.487 39.490 39.000 0.005 0.000 1.123 360 F HN -0.172 nan 8.300 nan 0.000 0.508 361 L N 8.738 129.988 121.223 0.046 0.000 3.739 361 L HA -0.236 4.105 4.340 0.001 0.000 0.442 361 L C -1.479 175.516 176.870 0.208 0.000 1.241 361 L CA 0.186 55.154 54.840 0.213 0.000 0.819 361 L CB -1.127 41.187 42.059 0.425 0.000 1.679 361 L HN 0.554 nan 8.230 nan 0.000 0.889 362 P HA -0.253 nan 4.420 nan 0.000 0.219 362 P C 0.851 178.218 177.300 0.112 0.000 1.149 362 P CA 2.180 65.367 63.100 0.145 0.000 0.835 362 P CB -0.533 31.272 31.700 0.175 0.000 0.778 363 H N -1.092 117.987 119.070 0.015 0.000 2.598 363 H HA 0.187 4.743 4.556 0.001 0.000 0.371 363 H C 1.641 176.918 175.328 -0.085 0.000 1.468 363 H CA -0.059 55.974 56.048 -0.025 0.000 1.454 363 H CB 0.402 30.152 29.762 -0.020 0.000 1.579 363 H HN -0.009 nan 8.280 nan 0.000 0.611 364 I N -2.037 118.303 120.570 -0.383 0.000 4.452 364 I HA -0.368 3.803 4.170 0.001 0.000 0.059 364 I C -0.041 175.861 176.117 -0.357 0.000 0.601 364 I CA 1.820 62.840 61.300 -0.466 0.000 1.039 364 I CB -1.236 36.359 38.000 -0.675 0.000 0.930 364 I HN 0.854 nan 8.210 nan 0.000 0.165 365 T N -0.515 113.849 114.554 -0.317 0.000 3.353 365 T HA 0.163 4.514 4.350 0.001 0.000 0.420 365 T C -0.574 174.008 174.700 -0.198 0.000 1.673 365 T CA -0.330 61.571 62.100 -0.332 0.000 1.085 365 T CB 1.150 69.575 68.868 -0.739 0.000 1.616 365 T HN 0.352 nan 8.240 nan 0.000 0.467 366 Q N 2.558 122.290 119.800 -0.114 0.000 2.247 366 Q HA 0.347 4.688 4.340 0.001 0.000 0.211 366 Q C 1.667 177.657 176.000 -0.016 0.000 0.861 366 Q CA -0.150 55.635 55.803 -0.029 0.000 0.949 366 Q CB 0.534 29.278 28.738 0.011 0.000 1.115 366 Q HN 0.584 nan 8.270 nan 0.000 0.507 367 L N 0.648 121.839 121.223 -0.054 0.000 1.931 367 L HA -0.239 4.102 4.340 0.001 0.000 0.242 367 L C 1.801 178.732 176.870 0.102 0.000 1.081 367 L CA 1.947 56.805 54.840 0.030 0.000 0.868 367 L CB -0.277 41.813 42.059 0.052 0.000 0.912 367 L HN 0.292 nan 8.230 nan 0.000 0.427 368 E N -2.279 118.059 120.200 0.230 0.000 3.301 368 E HA 0.054 4.404 4.350 0.001 0.000 0.279 368 E C 0.948 177.696 176.600 0.246 0.000 1.174 368 E CA 0.406 56.920 56.400 0.190 0.000 1.918 368 E CB -0.258 29.512 29.700 0.118 0.000 2.084 368 E HN 0.345 nan 8.360 nan 0.000 0.951 369 G N 0.858 109.757 108.800 0.165 0.000 2.894 369 G HA2 0.177 4.137 3.960 0.001 0.000 0.265 369 G HA3 0.177 4.137 3.960 0.001 0.000 0.265 369 G C -0.450 174.275 174.900 -0.291 0.000 0.735 369 G CA 0.358 45.425 45.100 -0.055 0.000 2.064 369 G HN 0.163 nan 8.290 nan 0.000 0.590 370 F N -0.909 119.029 119.950 -0.020 0.000 2.936 370 F HA 0.243 4.770 4.527 0.001 0.000 0.334 370 F C 1.492 177.277 175.800 -0.026 0.000 1.170 370 F CA -0.554 57.432 58.000 -0.025 0.000 1.104 370 F CB 0.559 39.539 39.000 -0.034 0.000 1.216 370 F HN 0.170 nan 8.300 nan 0.000 0.518 371 E N 0.744 121.002 120.200 0.097 0.000 2.197 371 E HA -0.265 4.085 4.350 0.001 0.000 0.205 371 E C 2.303 178.935 176.600 0.055 0.000 1.029 371 E CA 2.232 58.655 56.400 0.038 0.000 0.828 371 E CB -0.359 29.349 29.700 0.014 0.000 0.737 371 E HN 0.412 nan 8.360 nan 0.000 0.464 372 S N -0.345 115.401 115.700 0.077 0.000 2.387 372 S HA -0.098 4.372 4.470 0.001 0.000 0.226 372 S C 2.020 176.756 174.600 0.227 0.000 1.026 372 S CA 0.892 59.173 58.200 0.135 0.000 0.972 372 S CB -0.135 63.136 63.200 0.118 0.000 0.814 372 S HN 0.113 nan 8.310 nan 0.000 0.477 373 R N 1.339 121.940 120.500 0.167 0.000 2.066 373 R HA 0.083 4.423 4.340 0.001 0.000 0.232 373 R C 2.449 178.879 176.300 0.217 0.000 1.131 373 R CA 1.494 57.687 56.100 0.156 0.000 0.955 373 R CB -0.151 30.253 30.300 0.174 0.000 0.851 373 R HN 0.418 nan 8.270 nan 0.000 0.432 374 K N -0.417 120.078 120.400 0.158 0.000 2.148 374 K HA -0.046 4.275 4.320 0.001 0.000 0.204 374 K C 1.963 178.715 176.600 0.254 0.000 1.050 374 K CA 1.108 57.494 56.287 0.165 0.000 0.942 374 K CB -0.005 32.483 32.500 -0.021 0.000 0.724 374 K HN 0.159 nan 8.250 nan 0.000 0.446 375 A N 0.508 123.437 122.820 0.182 0.000 1.972 375 A HA -0.124 4.196 4.320 0.001 0.000 0.219 375 A C 1.761 179.520 177.584 0.292 0.000 1.169 375 A CA 1.188 53.347 52.037 0.204 0.000 0.635 375 A CB -0.537 18.468 19.000 0.009 0.000 0.810 375 A HN 0.200 nan 8.150 nan 0.000 0.446 376 F N -2.326 117.783 119.950 0.265 0.000 2.456 376 F HA 0.066 4.593 4.527 0.001 0.000 0.298 376 F C 1.808 178.099 175.800 0.818 0.000 1.104 376 F CA 0.614 58.890 58.000 0.461 0.000 1.435 376 F CB -0.230 38.868 39.000 0.164 0.000 1.078 376 F HN 0.304 nan 8.300 nan 0.000 0.546 377 F N -0.079 120.289 119.950 0.697 0.000 2.094 377 F HA -0.112 4.416 4.527 0.001 0.000 0.291 377 F C 2.270 178.376 175.800 0.510 0.000 1.109 377 F CA 0.915 59.309 58.000 0.655 0.000 1.221 377 F CB -0.829 38.479 39.000 0.514 0.000 1.014 377 F HN -0.111 nan 8.300 nan 0.000 0.473 378 L N 0.532 122.087 121.223 0.554 0.000 2.197 378 L HA -0.112 4.228 4.340 0.001 0.000 0.215 378 L C 2.106 179.137 176.870 0.269 0.000 1.095 378 L CA 2.237 57.257 54.840 0.301 0.000 0.764 378 L CB -1.611 40.525 42.059 0.129 0.000 0.897 378 L HN 0.210 nan 8.230 nan 0.000 0.436 379 G N -1.982 107.108 108.800 0.484 0.000 2.411 379 G HA2 -0.315 3.645 3.960 0.001 0.000 0.213 379 G HA3 -0.315 3.645 3.960 0.001 0.000 0.213 379 G C 1.505 176.644 174.900 0.399 0.000 1.166 379 G CA 0.579 46.002 45.100 0.537 0.000 0.802 379 G HN 0.531 nan 8.290 nan 0.000 0.533 380 Y N 0.986 121.481 120.300 0.325 0.000 2.333 380 Y HA 0.017 4.568 4.550 0.001 0.000 0.290 380 Y C 2.591 178.429 175.900 -0.104 0.000 1.144 380 Y CA 1.275 59.428 58.100 0.087 0.000 1.228 380 Y CB -0.091 38.316 38.460 -0.088 0.000 0.985 380 Y HN 0.142 nan 8.280 nan 0.000 0.542 381 M N -0.685 118.751 119.600 -0.273 0.000 2.115 381 M HA -0.120 4.360 4.480 0.001 0.000 0.261 381 M C 2.113 178.263 176.300 -0.250 0.000 1.079 381 M CA 1.708 56.781 55.300 -0.379 0.000 1.143 381 M CB -0.367 32.105 32.600 -0.212 0.000 1.332 381 M HN 0.182 nan 8.290 nan 0.000 0.421 382 I N 0.621 121.142 120.570 -0.082 0.000 2.399 382 I HA -0.339 3.831 4.170 0.001 0.000 0.254 382 I C 2.034 178.108 176.117 -0.072 0.000 1.146 382 I CA 1.194 62.475 61.300 -0.032 0.000 1.412 382 I CB -0.847 37.200 38.000 0.078 0.000 1.076 382 I HN 0.437 nan 8.210 nan 0.000 0.432 383 N N 1.307 119.937 118.700 -0.118 0.000 2.048 383 N HA -0.175 4.565 4.740 0.001 0.000 0.193 383 N C 1.996 177.369 175.510 -0.229 0.000 1.061 383 N CA 1.387 54.334 53.050 -0.171 0.000 0.849 383 N CB -0.053 38.289 38.487 -0.243 0.000 1.044 383 N HN -0.026 nan 8.380 nan 0.000 0.429 384 R N 0.272 120.544 120.500 -0.381 0.000 2.178 384 R HA -0.195 4.146 4.340 0.001 0.000 0.257 384 R C 2.162 178.326 176.300 -0.226 0.000 1.163 384 R CA 1.074 56.957 56.100 -0.362 0.000 0.981 384 R CB -1.469 28.495 30.300 -0.560 0.000 0.878 384 R HN 0.441 nan 8.270 nan 0.000 0.454 385 L N 0.828 121.935 121.223 -0.194 0.000 1.948 385 L HA -0.157 4.184 4.340 0.001 0.000 0.212 385 L C 2.350 179.192 176.870 -0.047 0.000 1.074 385 L CA 1.613 56.389 54.840 -0.107 0.000 0.753 385 L CB -0.559 41.452 42.059 -0.080 0.000 0.888 385 L HN 0.071 nan 8.230 nan 0.000 0.432 386 L N -0.959 120.231 121.223 -0.054 0.000 2.043 386 L HA -0.270 4.071 4.340 0.001 0.000 0.212 386 L C 2.529 179.373 176.870 -0.044 0.000 1.075 386 L CA 0.920 55.736 54.840 -0.040 0.000 0.752 386 L CB -0.831 41.196 42.059 -0.052 0.000 0.891 386 L HN 0.312 nan 8.230 nan 0.000 0.432 387 L N -0.633 120.545 121.223 -0.075 0.000 2.357 387 L HA -0.289 4.052 4.340 0.001 0.000 0.220 387 L C 2.511 179.356 176.870 -0.042 0.000 1.123 387 L CA 1.519 56.316 54.840 -0.072 0.000 0.782 387 L CB -0.871 41.129 42.059 -0.098 0.000 0.910 387 L HN 0.480 nan 8.230 nan 0.000 0.442 388 C N -1.632 117.657 119.300 -0.019 0.000 2.611 388 C HA 0.219 4.679 4.460 0.001 0.000 0.283 388 C C 2.903 177.959 174.990 0.111 0.000 1.340 388 C CA 0.283 59.308 59.018 0.012 0.000 1.716 388 C CB -0.877 26.842 27.740 -0.034 0.000 2.134 388 C HN 0.518 nan 8.230 nan 0.000 0.526 389 A N 0.447 123.399 122.820 0.219 0.000 2.245 389 A HA 0.037 4.357 4.320 0.001 0.000 0.217 389 A C 1.481 179.086 177.584 0.035 0.000 1.171 389 A CA 1.315 53.449 52.037 0.161 0.000 0.688 389 A CB -0.663 18.299 19.000 -0.064 0.000 0.781 389 A HN 0.739 nan 8.150 nan 0.000 0.479 390 L N -0.748 120.482 121.223 0.012 0.000 3.141 390 L HA 0.179 4.519 4.340 0.001 0.000 0.267 390 L C -0.838 176.021 176.870 -0.018 0.000 1.281 390 L CA -0.474 54.347 54.840 -0.032 0.000 1.037 390 L CB -0.411 41.605 42.059 -0.073 0.000 1.407 390 L HN 0.161 nan 8.230 nan 0.000 0.566 391 D N 1.603 122.010 120.400 0.011 0.000 2.886 391 D HA -0.209 4.431 4.640 0.001 0.000 0.221 391 D C 1.065 177.360 176.300 -0.008 0.000 1.227 391 D CA 0.701 54.704 54.000 0.005 0.000 0.746 391 D CB -0.266 40.538 40.800 0.005 0.000 0.935 391 D HN 0.429 nan 8.370 nan 0.000 0.399 392 R N -0.174 120.318 120.500 -0.014 0.000 2.412 392 R HA 0.177 4.518 4.340 0.001 0.000 0.212 392 R C 0.386 176.677 176.300 -0.016 0.000 0.878 392 R CA -0.073 56.017 56.100 -0.017 0.000 1.022 392 R CB 0.830 31.114 30.300 -0.027 0.000 1.265 392 R HN -0.072 nan 8.270 nan 0.000 0.620 393 K N 1.476 121.863 120.400 -0.023 0.000 2.513 393 K HA 0.226 4.546 4.320 0.001 0.000 0.251 393 K C -1.104 175.480 176.600 -0.027 0.000 0.939 393 K CA -0.477 55.795 56.287 -0.024 0.000 0.793 393 K CB 2.384 34.862 32.500 -0.037 0.000 1.241 393 K HN -0.042 nan 8.250 nan 0.000 0.431 394 D N 1.347 121.737 120.400 -0.016 0.000 2.232 394 D HA -0.096 4.544 4.640 0.001 0.000 0.242 394 D C 0.670 176.954 176.300 -0.027 0.000 1.330 394 D CA 0.278 54.268 54.000 -0.017 0.000 0.954 394 D CB 0.690 41.490 40.800 0.001 0.000 1.202 394 D HN 0.387 nan 8.370 nan 0.000 0.530 395 Q N -0.413 119.374 119.800 -0.021 0.000 2.272 395 Q HA 0.077 4.418 4.340 0.001 0.000 0.192 395 Q C -0.813 175.218 176.000 0.052 0.000 1.059 395 Q CA -0.402 55.401 55.803 0.000 0.000 1.084 395 Q CB 0.774 29.508 28.738 -0.006 0.000 1.139 395 Q HN 0.263 nan 8.270 nan 0.000 0.593 396 D N 1.377 121.866 120.400 0.148 0.000 2.233 396 D HA 0.067 4.708 4.640 0.001 0.000 0.240 396 D C -1.133 175.235 176.300 0.112 0.000 1.074 396 D CA -0.150 53.943 54.000 0.155 0.000 0.838 396 D CB 1.053 41.989 40.800 0.226 0.000 1.124 396 D HN 0.466 nan 8.370 nan 0.000 0.475 397 D N 2.583 123.032 120.400 0.081 0.000 2.363 397 D HA -0.019 4.622 4.640 0.001 0.000 0.263 397 D C 0.977 177.288 176.300 0.019 0.000 1.258 397 D CA 0.028 54.060 54.000 0.053 0.000 0.907 397 D CB 0.626 41.501 40.800 0.125 0.000 1.107 397 D HN 0.293 nan 8.370 nan 0.000 0.495 398 R N 2.409 122.872 120.500 -0.061 0.000 2.280 398 R HA -0.032 4.309 4.340 0.001 0.000 0.207 398 R C 0.158 176.407 176.300 -0.084 0.000 1.043 398 R CA 0.573 56.629 56.100 -0.074 0.000 1.006 398 R CB 0.447 30.651 30.300 -0.160 0.000 0.885 398 R HN 0.435 nan 8.270 nan 0.000 0.467 399 D N -0.285 120.020 120.400 -0.159 0.000 2.463 399 D HA -0.026 4.615 4.640 0.001 0.000 0.224 399 D C -0.123 175.814 176.300 -0.605 0.000 1.174 399 D CA 0.114 53.918 54.000 -0.326 0.000 0.829 399 D CB 0.134 40.718 40.800 -0.360 0.000 0.993 399 D HN 0.122 nan 8.370 nan 0.000 0.497 400 H N 1.258 120.114 119.070 -0.355 0.000 3.092 400 H HA -0.006 4.550 4.556 0.001 0.000 0.263 400 H C 1.088 176.394 175.328 -0.036 0.000 1.611 400 H CA -0.590 55.344 56.048 -0.190 0.000 1.457 400 H CB -0.622 29.122 29.762 -0.030 0.000 1.731 400 H HN -0.066 nan 8.280 nan 0.000 0.532 401 F N 3.591 123.486 119.950 -0.091 0.000 2.065 401 F HA -0.359 4.168 4.527 0.001 0.000 0.288 401 F C 2.424 178.293 175.800 0.115 0.000 1.063 401 F CA 2.521 60.518 58.000 -0.005 0.000 1.285 401 F CB -0.834 38.148 39.000 -0.031 0.000 0.980 401 F HN 0.645 nan 8.300 nan 0.000 0.493 402 G N -0.989 108.028 108.800 0.362 0.000 2.537 402 G HA2 -0.264 3.697 3.960 0.001 0.000 0.220 402 G HA3 -0.264 3.697 3.960 0.001 0.000 0.220 402 G C 1.366 176.254 174.900 -0.019 0.000 1.111 402 G CA 0.908 46.110 45.100 0.170 0.000 0.748 402 G HN 0.433 nan 8.290 nan 0.000 0.564 403 K N -0.011 120.357 120.400 -0.053 0.000 2.514 403 K HA 0.203 4.523 4.320 0.001 0.000 0.207 403 K C -0.031 176.484 176.600 -0.141 0.000 1.035 403 K CA -0.073 56.138 56.287 -0.126 0.000 1.113 403 K CB 0.630 33.062 32.500 -0.114 0.000 0.846 403 K HN 0.122 nan 8.250 nan 0.000 0.491 404 K N 1.196 121.476 120.400 -0.200 0.000 2.328 404 K HA 0.455 4.775 4.320 0.001 0.000 0.246 404 K C -0.345 176.077 176.600 -0.295 0.000 0.955 404 K CA -1.010 55.134 56.287 -0.238 0.000 0.817 404 K CB 2.120 34.447 32.500 -0.288 0.000 1.208 404 K HN -0.144 nan 8.250 nan 0.000 0.432 405 R N 1.580 121.949 120.500 -0.219 0.000 2.744 405 R HA 0.488 4.828 4.340 0.001 0.000 0.279 405 R C -0.630 175.583 176.300 -0.145 0.000 0.977 405 R CA -0.828 55.162 56.100 -0.184 0.000 0.906 405 R CB 1.258 31.480 30.300 -0.130 0.000 1.197 405 R HN 0.545 nan 8.270 nan 0.000 0.463 406 L N 3.005 124.154 121.223 -0.123 0.000 2.335 406 L HA 0.297 4.638 4.340 0.001 0.000 0.268 406 L C -0.326 176.511 176.870 -0.055 0.000 1.037 406 L CA -0.766 54.025 54.840 -0.083 0.000 0.895 406 L CB 1.081 43.097 42.059 -0.070 0.000 1.266 406 L HN 0.285 nan 8.230 nan 0.000 0.439 407 D N 2.869 123.240 120.400 -0.048 0.000 2.487 407 D HA 0.173 4.814 4.640 0.001 0.000 0.243 407 D C 0.037 176.317 176.300 -0.032 0.000 1.154 407 D CA 0.292 54.276 54.000 -0.026 0.000 0.876 407 D CB 2.068 42.854 40.800 -0.023 0.000 1.161 407 D HN 0.129 nan 8.370 nan 0.000 0.478 408 L N 1.447 122.669 121.223 -0.002 0.000 2.421 408 L HA 0.400 4.741 4.340 0.001 0.000 0.267 408 L C 1.707 178.593 176.870 0.027 0.000 1.036 408 L CA -0.366 54.475 54.840 0.002 0.000 0.829 408 L CB 0.588 42.661 42.059 0.023 0.000 1.437 408 L HN 0.426 nan 8.230 nan 0.000 0.488 409 A N 0.257 123.107 122.820 0.050 0.000 1.903 409 A HA -0.181 4.140 4.320 0.001 0.000 0.219 409 A C 1.928 179.588 177.584 0.126 0.000 1.191 409 A CA 2.336 54.430 52.037 0.095 0.000 0.638 409 A CB -1.638 17.469 19.000 0.178 0.000 0.823 409 A HN 0.895 nan 8.150 nan 0.000 0.451 410 G N -0.205 108.697 108.800 0.169 0.000 2.552 410 G HA2 -0.152 3.809 3.960 0.001 0.000 0.216 410 G HA3 -0.152 3.809 3.960 0.001 0.000 0.216 410 G C -0.175 174.770 174.900 0.074 0.000 1.240 410 G CA 1.285 46.477 45.100 0.153 0.000 0.796 410 G HN 0.480 nan 8.290 nan 0.000 0.568 411 P HA -0.118 nan 4.420 nan 0.000 0.216 411 P C 2.105 179.484 177.300 0.132 0.000 1.154 411 P CA 0.954 64.134 63.100 0.134 0.000 0.865 411 P CB -0.151 31.607 31.700 0.096 0.000 0.789 412 L N -1.667 119.637 121.223 0.135 0.000 2.017 412 L HA -0.176 4.164 4.340 0.001 0.000 0.208 412 L C 2.395 179.425 176.870 0.267 0.000 1.073 412 L CA 1.456 56.480 54.840 0.306 0.000 0.745 412 L CB -1.136 41.115 42.059 0.319 0.000 0.894 412 L HN -0.011 nan 8.230 nan 0.000 0.432 413 L N -0.488 120.731 121.223 -0.006 0.000 2.265 413 L HA -0.167 4.174 4.340 0.001 0.000 0.215 413 L C 2.738 179.473 176.870 -0.226 0.000 1.117 413 L CA 0.675 55.324 54.840 -0.318 0.000 0.782 413 L CB -0.772 40.786 42.059 -0.835 0.000 0.914 413 L HN 0.244 nan 8.230 nan 0.000 0.441 414 A N -0.089 122.727 122.820 -0.006 0.000 1.821 414 A HA -0.255 4.065 4.320 0.001 0.000 0.215 414 A C 2.232 179.968 177.584 0.254 0.000 1.214 414 A CA 1.459 53.700 52.037 0.340 0.000 0.608 414 A CB -0.770 18.432 19.000 0.336 0.000 0.862 414 A HN 0.391 nan 8.150 nan 0.000 0.448 415 Q N -0.649 119.265 119.800 0.189 0.000 2.268 415 Q HA -0.198 4.143 4.340 0.001 0.000 0.210 415 Q C 1.957 178.012 176.000 0.092 0.000 0.988 415 Q CA 1.588 57.480 55.803 0.148 0.000 0.883 415 Q CB -0.206 28.634 28.738 0.170 0.000 0.911 415 Q HN 0.695 nan 8.270 nan 0.000 0.430 416 L N -0.532 120.717 121.223 0.044 0.000 2.049 416 L HA -0.123 4.218 4.340 0.001 0.000 0.203 416 L C 2.283 179.182 176.870 0.048 0.000 1.074 416 L CA 0.849 55.622 54.840 -0.111 0.000 0.749 416 L CB -0.345 41.489 42.059 -0.375 0.000 0.907 416 L HN 0.266 nan 8.230 nan 0.000 0.439 417 F N 1.167 121.101 119.950 -0.027 0.000 2.075 417 F HA -0.274 4.254 4.527 0.001 0.000 0.297 417 F C 2.584 178.437 175.800 0.089 0.000 1.113 417 F CA 1.985 60.011 58.000 0.044 0.000 1.218 417 F CB -0.480 38.621 39.000 0.168 0.000 0.984 417 F HN -0.028 nan 8.300 nan 0.000 0.472 418 K N -0.525 119.943 120.400 0.113 0.000 2.001 418 K HA -0.213 4.108 4.320 0.001 0.000 0.214 418 K C 1.963 178.557 176.600 -0.010 0.000 1.050 418 K CA 2.439 58.736 56.287 0.017 0.000 0.934 418 K CB -0.607 31.941 32.500 0.081 0.000 0.718 418 K HN 0.267 nan 8.250 nan 0.000 0.443 419 T N 1.654 116.211 114.554 0.005 0.000 2.833 419 T HA -0.110 4.241 4.350 0.001 0.000 0.269 419 T C 1.745 176.423 174.700 -0.037 0.000 1.054 419 T CA 1.150 63.238 62.100 -0.020 0.000 1.135 419 T CB -0.045 68.815 68.868 -0.013 0.000 0.869 419 T HN 0.160 nan 8.240 nan 0.000 0.466 420 L N -0.333 120.875 121.223 -0.024 0.000 2.034 420 L HA 0.056 4.397 4.340 0.001 0.000 0.203 420 L C 2.253 179.112 176.870 -0.018 0.000 1.074 420 L CA 1.032 55.863 54.840 -0.015 0.000 0.748 420 L CB -0.551 41.531 42.059 0.037 0.000 0.905 420 L HN 0.162 nan 8.230 nan 0.000 0.439 421 F N 1.522 121.288 119.950 -0.307 0.000 2.176 421 F HA -0.303 4.224 4.527 0.001 0.000 0.301 421 F C 2.303 177.952 175.800 -0.252 0.000 1.071 421 F CA 1.657 59.416 58.000 -0.402 0.000 1.289 421 F CB -0.354 38.209 39.000 -0.730 0.000 1.028 421 F HN -0.035 nan 8.300 nan 0.000 0.494 422 K N -0.254 119.995 120.400 -0.251 0.000 2.217 422 K HA -0.147 4.174 4.320 0.001 0.000 0.202 422 K C 2.049 178.523 176.600 -0.210 0.000 1.051 422 K CA 1.058 57.165 56.287 -0.300 0.000 0.952 422 K CB -0.173 32.212 32.500 -0.191 0.000 0.736 422 K HN 0.200 nan 8.250 nan 0.000 0.453 423 K N 0.748 121.069 120.400 -0.132 0.000 2.459 423 K HA -0.022 4.299 4.320 0.001 0.000 0.193 423 K C 1.587 178.143 176.600 -0.073 0.000 1.030 423 K CA 0.262 56.497 56.287 -0.086 0.000 1.026 423 K CB 0.283 32.749 32.500 -0.056 0.000 0.809 423 K HN 0.008 nan 8.250 nan 0.000 0.504 424 L N 0.019 121.184 121.223 -0.097 0.000 2.357 424 L HA 0.085 4.426 4.340 0.001 0.000 0.211 424 L C 1.761 178.577 176.870 -0.090 0.000 1.075 424 L CA 1.411 56.217 54.840 -0.056 0.000 0.830 424 L CB -0.044 42.021 42.059 0.009 0.000 0.996 424 L HN -0.056 nan 8.230 nan 0.000 0.467 425 T N 0.299 114.708 114.554 -0.242 0.000 2.812 425 T HA -0.140 4.210 4.350 0.001 0.000 0.264 425 T C 1.371 176.009 174.700 -0.103 0.000 1.042 425 T CA 1.594 63.558 62.100 -0.227 0.000 1.140 425 T CB -0.129 68.454 68.868 -0.474 0.000 0.870 425 T HN 0.428 nan 8.240 nan 0.000 0.445 426 K N 0.638 120.956 120.400 -0.137 0.000 2.520 426 K HA 0.154 4.475 4.320 0.001 0.000 0.205 426 K C 0.814 177.429 176.600 0.024 0.000 1.035 426 K CA 0.310 56.538 56.287 -0.097 0.000 1.188 426 K CB 0.311 32.714 32.500 -0.163 0.000 0.894 426 K HN 0.071 nan 8.250 nan 0.000 0.497 427 D N 0.557 120.986 120.400 0.048 0.000 2.482 427 D HA 0.157 4.798 4.640 0.001 0.000 0.251 427 D C 1.600 177.979 176.300 0.131 0.000 1.073 427 D CA 0.244 54.288 54.000 0.074 0.000 0.892 427 D CB 0.379 41.199 40.800 0.032 0.000 1.202 427 D HN 0.259 nan 8.370 nan 0.000 0.496 428 I N 0.534 121.189 120.570 0.141 0.000 2.614 428 I HA -0.198 3.973 4.170 0.001 0.000 0.258 428 I C 1.985 178.267 176.117 0.275 0.000 1.189 428 I CA 0.575 61.985 61.300 0.184 0.000 1.462 428 I CB -0.121 37.993 38.000 0.190 0.000 1.092 428 I HN -0.077 nan 8.210 nan 0.000 0.442 429 F N 1.398 121.385 119.950 0.061 0.000 2.259 429 F HA -0.022 4.505 4.527 0.001 0.000 0.298 429 F C 2.364 178.200 175.800 0.060 0.000 1.088 429 F CA 1.199 59.228 58.000 0.049 0.000 1.358 429 F CB -0.203 38.807 39.000 0.017 0.000 1.040 429 F HN -0.127 nan 8.300 nan 0.000 0.505 430 R N -1.762 118.877 120.500 0.232 0.000 2.323 430 R HA -0.124 4.216 4.340 0.001 0.000 0.198 430 R C 1.094 177.482 176.300 0.148 0.000 0.988 430 R CA 0.520 56.708 56.100 0.147 0.000 1.041 430 R CB -0.230 30.148 30.300 0.131 0.000 0.926 430 R HN 0.371 nan 8.270 nan 0.000 0.476 431 Y N -0.273 120.037 120.300 0.016 0.000 2.594 431 Y HA 0.125 4.675 4.550 0.001 0.000 0.283 431 Y C 1.879 177.756 175.900 -0.037 0.000 1.140 431 Y CA 0.443 58.542 58.100 -0.001 0.000 1.261 431 Y CB 0.207 38.679 38.460 0.021 0.000 1.358 431 Y HN -0.184 nan 8.280 nan 0.000 0.513 432 M N 0.245 119.857 119.600 0.021 0.000 2.446 432 M HA -0.197 4.283 4.480 0.001 0.000 0.263 432 M C 1.436 177.617 176.300 -0.200 0.000 1.066 432 M CA 1.571 56.804 55.300 -0.112 0.000 1.087 432 M CB -0.173 32.365 32.600 -0.103 0.000 1.406 432 M HN 0.353 nan 8.290 nan 0.000 0.459 433 Q N -0.334 119.350 119.800 -0.193 0.000 2.424 433 Q HA 0.053 4.393 4.340 0.001 0.000 0.204 433 Q C 1.469 177.381 176.000 -0.146 0.000 0.933 433 Q CA 0.477 56.175 55.803 -0.176 0.000 0.929 433 Q CB 0.411 29.058 28.738 -0.151 0.000 1.037 433 Q HN 0.506 nan 8.270 nan 0.000 0.511 434 R N -1.397 118.992 120.500 -0.185 0.000 2.404 434 R HA 0.157 4.497 4.340 0.001 0.000 0.237 434 R C 1.286 177.437 176.300 -0.248 0.000 0.907 434 R CA 0.349 56.340 56.100 -0.180 0.000 1.063 434 R CB 0.743 30.958 30.300 -0.142 0.000 1.134 434 R HN 0.028 nan 8.270 nan 0.000 0.529 435 T N 0.153 114.504 114.554 -0.338 0.000 2.983 435 T HA 0.009 4.359 4.350 0.001 0.000 0.250 435 T C 1.693 176.283 174.700 -0.183 0.000 1.037 435 T CA 0.692 62.597 62.100 -0.325 0.000 1.142 435 T CB 0.273 68.869 68.868 -0.453 0.000 0.876 435 T HN -0.084 nan 8.240 nan 0.000 0.455 436 V N 1.645 121.464 119.914 -0.158 0.000 3.141 436 V HA 0.032 4.152 4.120 0.001 0.000 0.265 436 V C 1.253 177.294 176.094 -0.089 0.000 1.126 436 V CA 0.730 62.965 62.300 -0.107 0.000 1.141 436 V CB -0.766 30.997 31.823 -0.100 0.000 0.743 436 V HN 0.484 nan 8.190 nan 0.000 0.492 447 A N 0.416 122.995 122.820 -0.401 0.000 3.294 447 A HA -0.147 4.174 4.320 0.001 0.000 0.242 447 A C 0.086 177.493 177.584 -0.295 0.000 1.282 447 A CA 1.369 53.006 52.037 -0.668 0.000 1.197 447 A CB -2.270 15.787 19.000 -1.571 0.000 1.145 447 A HN 0.620 nan 8.150 nan 0.000 0.898 448 I N 0.950 121.438 120.570 -0.137 0.000 2.621 448 I HA 0.176 4.347 4.170 0.001 0.000 0.276 448 I C 0.313 176.419 176.117 -0.018 0.000 1.118 448 I CA -0.555 60.718 61.300 -0.045 0.000 1.159 448 I CB 0.815 38.818 38.000 0.005 0.000 1.357 448 I HN 0.326 nan 8.210 nan 0.000 0.513 449 N N 3.927 122.614 118.700 -0.021 0.000 2.670 449 N HA 0.075 4.815 4.740 0.001 0.000 0.296 449 N C 1.396 176.908 175.510 0.003 0.000 1.216 449 N CA 0.103 53.155 53.050 0.005 0.000 1.123 449 N CB 0.630 39.120 38.487 0.005 0.000 1.459 449 N HN 0.654 nan 8.380 nan 0.000 0.509 450 A N 2.475 125.295 122.820 -0.001 0.000 2.272 450 A HA -0.156 4.165 4.320 0.001 0.000 0.213 450 A C 2.005 179.567 177.584 -0.036 0.000 1.183 450 A CA 0.846 52.826 52.037 -0.095 0.000 0.719 450 A CB -0.384 18.447 19.000 -0.282 0.000 0.771 450 A HN 0.664 nan 8.150 nan 0.000 0.484 451 K N -0.821 119.596 120.400 0.029 0.000 2.418 451 K HA -0.026 4.294 4.320 0.001 0.000 0.195 451 K C 1.344 177.958 176.600 0.024 0.000 1.035 451 K CA 1.172 57.487 56.287 0.046 0.000 1.003 451 K CB -0.052 32.481 32.500 0.054 0.000 0.793 451 K HN 0.414 nan 8.250 nan 0.000 0.494 452 T N 1.213 115.773 114.554 0.010 0.000 2.812 452 T HA -0.008 4.342 4.350 0.001 0.000 0.264 452 T C 1.736 176.445 174.700 0.016 0.000 1.042 452 T CA 1.031 63.136 62.100 0.008 0.000 1.140 452 T CB 0.012 68.882 68.868 0.004 0.000 0.870 452 T HN 0.171 nan 8.240 nan 0.000 0.445 453 I N 1.111 121.693 120.570 0.021 0.000 2.400 453 I HA -0.086 4.084 4.170 0.001 0.000 0.248 453 I C 2.655 178.792 176.117 0.034 0.000 1.109 453 I CA 0.927 62.261 61.300 0.056 0.000 1.425 453 I CB -0.789 37.269 38.000 0.096 0.000 1.094 453 I HN 0.207 nan 8.210 nan 0.000 0.425 454 T N 0.803 115.366 114.554 0.015 0.000 2.652 454 T HA -0.178 4.172 4.350 0.001 0.000 0.267 454 T C 2.131 176.854 174.700 0.038 0.000 1.039 454 T CA 2.092 64.212 62.100 0.032 0.000 1.153 454 T CB -0.382 68.526 68.868 0.066 0.000 0.863 454 T HN 0.515 nan 8.240 nan 0.000 0.428 455 S N 1.385 117.108 115.700 0.039 0.000 2.371 455 S HA 0.052 4.523 4.470 0.001 0.000 0.224 455 S C 2.447 177.076 174.600 0.048 0.000 1.029 455 S CA 1.055 59.283 58.200 0.047 0.000 0.978 455 S CB -1.248 61.979 63.200 0.045 0.000 0.833 455 S HN 0.513 nan 8.310 nan 0.000 0.466 456 G N 2.741 111.555 108.800 0.024 0.000 2.529 456 G HA2 -0.179 3.782 3.960 0.001 0.000 0.219 456 G HA3 -0.179 3.782 3.960 0.001 0.000 0.219 456 G C 1.465 176.359 174.900 -0.011 0.000 1.177 456 G CA 1.261 46.364 45.100 0.004 0.000 0.773 456 G HN 0.505 nan 8.290 nan 0.000 0.573 457 L N -0.070 121.136 121.223 -0.029 0.000 2.042 457 L HA -0.130 4.211 4.340 0.001 0.000 0.210 457 L C 3.002 179.831 176.870 -0.068 0.000 1.076 457 L CA 1.596 56.385 54.840 -0.085 0.000 0.749 457 L CB -0.471 41.556 42.059 -0.053 0.000 0.893 457 L HN 0.225 nan 8.230 nan 0.000 0.432 458 K N -0.566 119.831 120.400 -0.005 0.000 1.978 458 K HA -0.269 4.052 4.320 0.001 0.000 0.214 458 K C 2.151 178.750 176.600 -0.002 0.000 1.049 458 K CA 2.064 58.353 56.287 0.004 0.000 0.939 458 K CB -0.584 31.936 32.500 0.033 0.000 0.721 458 K HN 0.087 nan 8.250 nan 0.000 0.441 459 Y N 1.389 121.661 120.300 -0.048 0.000 2.096 459 Y HA -0.403 4.147 4.550 0.001 0.000 0.276 459 Y C 2.037 177.914 175.900 -0.038 0.000 1.209 459 Y CA 1.790 59.868 58.100 -0.037 0.000 1.137 459 Y CB -0.480 37.955 38.460 -0.041 0.000 0.956 459 Y HN 0.193 nan 8.280 nan 0.000 0.506 460 A N 0.008 122.843 122.820 0.024 0.000 1.823 460 A HA -0.185 4.135 4.320 0.001 0.000 0.214 460 A C 1.801 179.407 177.584 0.038 0.000 1.227 460 A CA 1.764 53.764 52.037 -0.061 0.000 0.616 460 A CB -1.343 17.337 19.000 -0.534 0.000 0.874 460 A HN 0.360 nan 8.150 nan 0.000 0.455 461 L N -0.217 120.997 121.223 -0.015 0.000 2.757 461 L HA -0.081 4.260 4.340 0.001 0.000 0.243 461 L C 2.196 179.036 176.870 -0.049 0.000 1.182 461 L CA 1.364 56.197 54.840 -0.011 0.000 0.851 461 L CB -0.888 41.062 42.059 -0.183 0.000 0.989 461 L HN 0.502 nan 8.230 nan 0.000 0.457 462 A N -2.844 119.926 122.820 -0.083 0.000 2.259 462 A HA 0.174 4.494 4.320 0.001 0.000 0.213 462 A C 1.869 179.359 177.584 -0.157 0.000 1.209 462 A CA 0.842 52.810 52.037 -0.114 0.000 0.910 462 A CB 0.061 18.981 19.000 -0.134 0.000 0.946 462 A HN 0.364 nan 8.150 nan 0.000 0.497 463 T N -2.378 112.060 114.554 -0.193 0.000 3.499 463 T HA 0.484 4.834 4.350 0.001 0.000 0.227 463 T C 1.450 176.111 174.700 -0.065 0.000 0.946 463 T CA 0.956 62.944 62.100 -0.187 0.000 1.368 463 T CB 0.126 68.793 68.868 -0.335 0.000 1.227 463 T HN 1.076 nan 8.240 nan 0.000 0.398 464 G N 1.022 109.827 108.800 0.010 0.000 3.254 464 G HA2 -0.064 3.896 3.960 0.001 0.000 0.219 464 G HA3 -0.064 3.896 3.960 0.001 0.000 0.219 464 G C -0.280 174.699 174.900 0.133 0.000 0.964 464 G CA -0.700 44.423 45.100 0.040 0.000 0.823 464 G HN 0.447 nan 8.290 nan 0.000 0.579 465 N N 1.135 119.929 118.700 0.157 0.000 2.402 465 N HA 0.162 4.902 4.740 0.001 0.000 0.259 465 N C 0.757 176.507 175.510 0.399 0.000 1.167 465 N CA -0.549 52.651 53.050 0.249 0.000 0.949 465 N CB 0.854 39.513 38.487 0.287 0.000 1.212 465 N HN 0.444 nan 8.380 nan 0.000 0.493 466 W N 2.628 123.958 121.300 0.050 0.000 2.381 466 W HA -0.052 4.609 4.660 0.001 0.000 0.323 466 W C 1.503 178.061 176.519 0.065 0.000 1.194 466 W CA 0.145 57.515 57.345 0.041 0.000 1.296 466 W CB 0.013 29.480 29.460 0.011 0.000 1.175 466 W HN 0.501 nan 8.180 nan 0.000 0.465 467 G N 2.112 111.052 108.800 0.234 0.000 2.729 467 G HA2 0.075 4.036 3.960 0.001 0.000 0.275 467 G HA3 0.075 4.036 3.960 0.001 0.000 0.275 467 G C -0.120 174.796 174.900 0.027 0.000 0.677 467 G CA 0.539 45.690 45.100 0.085 0.000 2.102 467 G HN 0.476 nan 8.290 nan 0.000 0.567 468 E N -0.280 119.904 120.200 -0.026 0.000 3.374 468 E HA -0.333 4.018 4.350 0.001 0.000 0.319 468 E C 1.193 177.656 176.600 -0.228 0.000 1.492 468 E CA 2.007 58.336 56.400 -0.119 0.000 1.899 468 E CB -0.539 29.082 29.700 -0.131 0.000 1.894 468 E HN 0.600 nan 8.360 nan 0.000 0.484 469 Q N 0.108 119.706 119.800 -0.337 0.000 1.915 469 Q HA 0.343 4.684 4.340 0.001 0.000 0.153 469 Q C -0.367 175.541 176.000 -0.155 0.000 0.480 469 Q CA -0.461 55.117 55.803 -0.374 0.000 0.723 469 Q CB 0.352 28.709 28.738 -0.635 0.000 0.940 469 Q HN 0.311 nan 8.270 nan 0.000 0.357 470 K N 0.991 121.301 120.400 -0.151 0.000 2.365 470 K HA -0.231 4.090 4.320 0.001 0.000 0.354 470 K C -0.698 175.877 176.600 -0.042 0.000 1.535 470 K CA 1.230 57.469 56.287 -0.080 0.000 0.919 470 K CB -0.334 32.128 32.500 -0.062 0.000 1.108 470 K HN 0.211 nan 8.250 nan 0.000 0.893 471 K N 1.373 121.759 120.400 -0.024 0.000 2.652 471 K HA 0.268 4.588 4.320 0.001 0.000 0.239 471 K C -0.180 176.421 176.600 0.001 0.000 1.235 471 K CA 0.318 56.600 56.287 -0.008 0.000 1.191 471 K CB -0.135 32.362 32.500 -0.005 0.000 1.348 471 K HN 0.510 nan 8.250 nan 0.000 0.239 472 A N 0.947 123.771 122.820 0.006 0.000 2.519 472 A HA 0.252 4.573 4.320 0.001 0.000 0.298 472 A C -0.691 176.912 177.584 0.030 0.000 0.963 472 A CA -1.019 51.028 52.037 0.017 0.000 0.624 472 A CB 0.297 19.306 19.000 0.014 0.000 1.356 472 A HN 0.460 nan 8.150 nan 0.000 0.441 473 M N 0.817 120.439 119.600 0.037 0.000 2.989 473 M HA 0.273 4.753 4.480 0.001 0.000 0.307 473 M C 0.917 177.248 176.300 0.051 0.000 1.224 473 M CA 0.320 55.651 55.300 0.052 0.000 0.984 473 M CB 0.009 32.636 32.600 0.045 0.000 1.264 473 M HN 0.874 nan 8.290 nan 0.000 0.525 474 S N -0.720 115.008 115.700 0.047 0.000 2.571 474 S HA -0.070 4.400 4.470 0.001 0.000 0.245 474 S C 0.931 175.571 174.600 0.067 0.000 0.976 474 S CA 0.726 58.954 58.200 0.047 0.000 0.954 474 S CB -0.873 62.349 63.200 0.037 0.000 0.756 474 S HN 0.747 nan 8.310 nan 0.000 0.535 475 S N 1.131 116.883 115.700 0.088 0.000 2.788 475 S HA 0.684 5.154 4.470 0.001 0.000 0.291 475 S C -0.447 174.208 174.600 0.091 0.000 1.061 475 S CA -1.379 56.893 58.200 0.120 0.000 0.923 475 S CB 0.726 64.042 63.200 0.193 0.000 1.339 475 S HN 0.555 nan 8.310 nan 0.000 0.591 476 R N -0.076 120.480 120.500 0.095 0.000 2.409 476 R HA 0.751 5.091 4.340 0.001 0.000 0.313 476 R C -1.038 175.274 176.300 0.021 0.000 0.953 476 R CA -0.753 55.367 56.100 0.033 0.000 0.849 476 R CB 1.335 31.627 30.300 -0.013 0.000 1.171 476 R HN 0.671 nan 8.270 nan 0.000 0.458 477 A N 2.120 124.950 122.820 0.017 0.000 2.316 477 A HA 0.608 4.929 4.320 0.001 0.000 0.311 477 A C 0.893 178.457 177.584 -0.033 0.000 1.339 477 A CA 0.204 52.245 52.037 0.006 0.000 0.960 477 A CB 0.220 19.232 19.000 0.020 0.000 1.152 477 A HN 1.049 nan 8.150 nan 0.000 0.547 478 G N 1.390 110.149 108.800 -0.068 0.000 4.103 478 G HA2 0.151 4.111 3.960 0.001 0.000 0.163 478 G HA3 0.151 4.111 3.960 0.001 0.000 0.163 478 G C 0.019 174.838 174.900 -0.136 0.000 0.840 478 G CA 0.295 45.344 45.100 -0.086 0.000 0.905 478 G HN 0.730 nan 8.290 nan 0.000 0.377 479 V N 2.114 121.891 119.914 -0.228 0.000 2.655 479 V HA 0.480 4.600 4.120 0.001 0.000 0.300 479 V C 1.103 177.032 176.094 -0.275 0.000 1.044 479 V CA 1.017 63.096 62.300 -0.370 0.000 1.095 479 V CB 0.979 32.334 31.823 -0.780 0.000 0.952 479 V HN 1.501 nan 8.190 nan 0.000 0.485 480 S N 3.166 118.723 115.700 -0.238 0.000 3.723 480 S HA -0.131 4.339 4.470 0.001 0.000 0.621 480 S C -0.316 174.231 174.600 -0.087 0.000 0.618 480 S CA 0.644 58.759 58.200 -0.142 0.000 1.427 480 S CB -0.707 62.459 63.200 -0.056 0.000 0.882 480 S HN 0.863 nan 8.310 nan 0.000 0.913 481 Q N 1.650 121.404 119.800 -0.077 0.000 2.527 481 Q HA 0.754 5.094 4.340 0.001 0.000 0.220 481 Q C -0.189 175.790 176.000 -0.035 0.000 1.014 481 Q CA -1.024 54.762 55.803 -0.028 0.000 0.978 481 Q CB 0.996 29.765 28.738 0.052 0.000 1.245 481 Q HN 0.489 nan 8.270 nan 0.000 0.513 482 V N 1.782 121.693 119.914 -0.004 0.000 2.370 482 V HA 0.162 4.283 4.120 0.001 0.000 0.283 482 V C -0.307 175.778 176.094 -0.016 0.000 1.023 482 V CA -0.785 61.491 62.300 -0.039 0.000 0.857 482 V CB 0.835 32.632 31.823 -0.043 0.000 0.985 482 V HN 0.501 nan 8.190 nan 0.000 0.443 483 L N 4.947 126.091 121.223 -0.131 0.000 2.601 483 L HA 0.098 4.438 4.340 0.001 0.000 0.277 483 L C 0.479 177.244 176.870 -0.176 0.000 1.219 483 L CA 0.600 55.341 54.840 -0.165 0.000 0.915 483 L CB -0.279 41.539 42.059 -0.401 0.000 1.160 483 L HN 0.681 nan 8.230 nan 0.000 0.494 484 N N 3.987 122.617 118.700 -0.117 0.000 2.406 484 N HA 0.106 4.847 4.740 0.001 0.000 0.274 484 N C -0.093 175.064 175.510 -0.588 0.000 1.249 484 N CA 0.197 52.843 53.050 -0.673 0.000 0.951 484 N CB 0.146 38.096 38.487 -0.895 0.000 1.241 484 N HN 0.342 nan 8.380 nan 0.000 0.485 485 R N 2.177 122.355 120.500 -0.536 0.000 3.534 485 R HA 0.235 4.575 4.340 0.001 0.000 0.312 485 R C 0.283 176.386 176.300 -0.327 0.000 1.419 485 R CA -0.144 55.645 56.100 -0.517 0.000 1.262 485 R CB -0.446 29.376 30.300 -0.797 0.000 1.437 485 R HN 0.700 nan 8.270 nan 0.000 0.627 486 Y N -2.044 118.129 120.300 -0.212 0.000 2.177 486 Y HA 0.125 4.675 4.550 0.001 0.000 0.291 486 Y C 0.779 176.711 175.900 0.053 0.000 1.117 486 Y CA 0.065 58.102 58.100 -0.105 0.000 1.114 486 Y CB 0.559 38.952 38.460 -0.112 0.000 1.017 486 Y HN -0.074 nan 8.280 nan 0.000 0.505 487 T N -1.855 112.833 114.554 0.224 0.000 2.883 487 T HA 0.129 4.479 4.350 0.001 0.000 0.296 487 T C -0.274 174.543 174.700 0.196 0.000 1.117 487 T CA -0.667 61.569 62.100 0.227 0.000 1.006 487 T CB 1.808 70.784 68.868 0.180 0.000 1.191 487 T HN 0.050 nan 8.240 nan 0.000 0.508 488 Y N 2.318 122.687 120.300 0.115 0.000 2.089 488 Y HA -0.183 4.367 4.550 0.001 0.000 0.282 488 Y C 2.759 178.707 175.900 0.080 0.000 1.139 488 Y CA 2.638 60.788 58.100 0.082 0.000 1.123 488 Y CB -0.608 37.861 38.460 0.016 0.000 0.980 488 Y HN 0.705 nan 8.280 nan 0.000 0.493 489 S N -1.366 114.420 115.700 0.143 0.000 2.420 489 S HA -0.264 4.206 4.470 0.001 0.000 0.237 489 S C 2.258 176.820 174.600 -0.062 0.000 1.023 489 S CA 1.382 59.616 58.200 0.057 0.000 0.991 489 S CB -1.084 62.241 63.200 0.208 0.000 0.792 489 S HN 0.521 nan 8.310 nan 0.000 0.488 490 S N 1.759 117.433 115.700 -0.042 0.000 2.335 490 S HA -0.122 4.348 4.470 0.001 0.000 0.217 490 S C 2.005 176.512 174.600 -0.155 0.000 1.032 490 S CA 1.749 59.895 58.200 -0.090 0.000 0.985 490 S CB -1.359 61.800 63.200 -0.068 0.000 0.896 490 S HN 0.643 nan 8.310 nan 0.000 0.445 491 T N 3.595 118.036 114.554 -0.188 0.000 2.685 491 T HA -0.135 4.215 4.350 0.001 0.000 0.268 491 T C 1.733 176.317 174.700 -0.193 0.000 1.034 491 T CA 1.819 63.799 62.100 -0.200 0.000 1.149 491 T CB -0.636 68.105 68.868 -0.211 0.000 0.860 491 T HN 0.328 nan 8.240 nan 0.000 0.449 492 L N 0.623 121.677 121.223 -0.283 0.000 1.961 492 L HA -0.130 4.210 4.340 0.001 0.000 0.210 492 L C 2.903 179.694 176.870 -0.132 0.000 1.072 492 L CA 1.511 56.212 54.840 -0.232 0.000 0.749 492 L CB -1.016 40.878 42.059 -0.275 0.000 0.889 492 L HN 0.275 nan 8.230 nan 0.000 0.432 493 S N -1.240 114.389 115.700 -0.118 0.000 2.413 493 S HA -0.338 4.133 4.470 0.001 0.000 0.237 493 S C 1.979 176.563 174.600 -0.026 0.000 1.044 493 S CA 1.834 59.986 58.200 -0.080 0.000 1.024 493 S CB -0.544 62.604 63.200 -0.086 0.000 0.829 493 S HN 0.521 nan 8.310 nan 0.000 0.475 494 H N -0.421 118.552 119.070 -0.160 0.000 2.428 494 H HA 0.110 4.666 4.556 0.001 0.000 0.296 494 H C 1.923 177.178 175.328 -0.122 0.000 1.062 494 H CA 1.141 57.095 56.048 -0.157 0.000 1.350 494 H CB 0.022 29.659 29.762 -0.209 0.000 1.403 494 H HN 0.378 nan 8.280 nan 0.000 0.533 495 L N 0.135 121.316 121.223 -0.069 0.000 2.240 495 L HA -0.022 4.318 4.340 0.001 0.000 0.211 495 L C 1.459 178.286 176.870 -0.071 0.000 1.106 495 L CA 0.670 55.447 54.840 -0.106 0.000 0.793 495 L CB -0.001 42.010 42.059 -0.080 0.000 0.927 495 L HN 0.173 nan 8.230 nan 0.000 0.446 496 R N 0.427 120.893 120.500 -0.057 0.000 2.752 496 R HA 0.139 4.479 4.340 0.001 0.000 0.279 496 R C 0.229 176.505 176.300 -0.041 0.000 1.212 496 R CA -0.178 55.889 56.100 -0.054 0.000 1.169 496 R CB -0.053 30.207 30.300 -0.065 0.000 1.286 496 R HN 0.158 nan 8.270 nan 0.000 0.564 497 R N 0.485 120.969 120.500 -0.027 0.000 2.368 497 R HA 0.206 4.547 4.340 0.001 0.000 0.302 497 R C -0.755 175.530 176.300 -0.025 0.000 1.002 497 R CA 0.016 56.108 56.100 -0.014 0.000 0.929 497 R CB 1.402 31.726 30.300 0.041 0.000 1.073 497 R HN -0.154 nan 8.270 nan 0.000 0.464 498 T N 2.878 117.417 114.554 -0.024 0.000 2.829 498 T HA 0.319 4.670 4.350 0.001 0.000 0.280 498 T C -1.108 173.577 174.700 -0.025 0.000 0.999 498 T CA -0.619 61.470 62.100 -0.018 0.000 0.983 498 T CB 1.104 69.980 68.868 0.013 0.000 0.968 498 T HN 0.629 nan 8.240 nan 0.000 0.446 499 N N 0.911 119.590 118.700 -0.034 0.000 2.328 499 N HA 0.679 5.420 4.740 0.001 0.000 0.299 499 N C -1.549 173.944 175.510 -0.029 0.000 1.179 499 N CA -0.414 52.612 53.050 -0.040 0.000 0.793 499 N CB 1.802 40.250 38.487 -0.065 0.000 1.366 499 N HN 0.450 nan 8.380 nan 0.000 0.493 500 T N 2.421 116.961 114.554 -0.023 0.000 3.143 500 T HA 0.411 4.762 4.350 0.001 0.000 0.312 500 T C -2.797 171.892 174.700 -0.019 0.000 0.986 500 T CA -0.788 61.305 62.100 -0.012 0.000 1.024 500 T CB 1.742 70.619 68.868 0.015 0.000 1.030 500 T HN 0.455 nan 8.240 nan 0.000 0.448 501 P HA 0.483 nan 4.420 nan 0.000 0.275 501 P C -0.939 176.353 177.300 -0.015 0.000 1.228 501 P CA -0.499 62.588 63.100 -0.023 0.000 0.786 501 P CB 0.659 32.344 31.700 -0.025 0.000 0.927 511 P HA 0.060 nan 4.420 nan 0.000 0.228 511 P C 0.773 178.118 177.300 0.075 0.000 1.151 511 P CA 0.807 63.940 63.100 0.056 0.000 0.770 511 P CB -0.033 31.686 31.700 0.031 0.000 0.786 512 R N -1.337 119.192 120.500 0.049 0.000 2.193 512 R HA 0.046 4.386 4.340 0.001 0.000 0.213 512 R C 1.038 177.366 176.300 0.047 0.000 1.055 512 R CA 0.246 56.366 56.100 0.034 0.000 0.995 512 R CB -0.366 29.944 30.300 0.017 0.000 0.893 512 R HN 0.246 nan 8.270 nan 0.000 0.459 513 Q N 0.781 120.626 119.800 0.075 0.000 2.540 513 Q HA 0.039 4.380 4.340 0.001 0.000 0.256 513 Q C -0.820 175.265 176.000 0.140 0.000 1.084 513 Q CA 0.198 56.055 55.803 0.090 0.000 0.956 513 Q CB 0.452 29.249 28.738 0.100 0.000 1.303 513 Q HN -0.009 nan 8.270 nan 0.000 0.509 514 L N 2.438 123.733 121.223 0.119 0.000 2.261 514 L HA 0.272 4.612 4.340 0.001 0.000 0.289 514 L C -0.997 176.017 176.870 0.241 0.000 1.059 514 L CA 0.015 54.958 54.840 0.171 0.000 0.816 514 L CB 0.220 42.319 42.059 0.066 0.000 1.191 514 L HN 0.631 nan 8.230 nan 0.000 0.431 515 H N 2.799 122.084 119.070 0.359 0.000 2.505 515 H HA 0.322 4.879 4.556 0.001 0.000 0.355 515 H C 1.032 176.345 175.328 -0.025 0.000 1.179 515 H CA 0.580 56.624 56.048 -0.007 0.000 1.343 515 H CB 1.001 30.547 29.762 -0.360 0.000 1.501 515 H HN 0.760 nan 8.280 nan 0.000 0.569 516 N N 0.163 118.654 118.700 -0.348 0.000 2.058 516 N HA -0.193 4.548 4.740 0.001 0.000 0.191 516 N C 1.474 176.989 175.510 0.008 0.000 1.037 516 N CA 1.569 54.536 53.050 -0.137 0.000 0.848 516 N CB -0.133 38.215 38.487 -0.232 0.000 1.021 516 N HN 0.733 nan 8.380 nan 0.000 0.422 517 T N -0.817 113.749 114.554 0.021 0.000 2.969 517 T HA -0.174 4.176 4.350 0.001 0.000 0.271 517 T C 1.410 176.105 174.700 -0.010 0.000 1.127 517 T CA 1.097 63.202 62.100 0.008 0.000 1.102 517 T CB -0.434 68.384 68.868 -0.084 0.000 0.855 517 T HN 0.286 nan 8.240 nan 0.000 0.536 518 H N -0.656 118.387 119.070 -0.046 0.000 2.495 518 H HA 0.085 4.642 4.556 0.001 0.000 0.287 518 H C 1.017 176.278 175.328 -0.110 0.000 1.033 518 H CA 0.222 56.092 56.048 -0.297 0.000 1.307 518 H CB -0.539 29.071 29.762 -0.254 0.000 1.401 518 H HN 0.574 nan 8.280 nan 0.000 0.555 519 W N 2.371 123.666 121.300 -0.009 0.000 2.484 519 W HA 0.000 4.661 4.660 0.001 0.000 0.337 519 W C 1.137 177.659 176.519 0.004 0.000 1.214 519 W CA 1.961 59.301 57.345 -0.007 0.000 1.296 519 W CB 0.019 29.472 29.460 -0.012 0.000 1.174 519 W HN 0.536 nan 8.180 nan 0.000 0.564 520 G N 4.160 112.536 108.800 -0.706 0.000 2.480 520 G HA2 -0.391 3.570 3.960 0.001 0.000 0.246 520 G HA3 -0.391 3.570 3.960 0.001 0.000 0.246 520 G C 0.982 175.784 174.900 -0.164 0.000 1.073 520 G CA 0.833 45.641 45.100 -0.487 0.000 0.643 520 G HN 0.591 nan 8.290 nan 0.000 0.525 521 L N -0.130 121.058 121.223 -0.058 0.000 2.202 521 L HA 0.319 4.660 4.340 0.001 0.000 0.205 521 L C 0.983 177.823 176.870 -0.050 0.000 1.083 521 L CA 0.721 55.569 54.840 0.013 0.000 0.790 521 L CB -0.084 42.079 42.059 0.173 0.000 0.942 521 L HN 0.203 nan 8.230 nan 0.000 0.452 522 V N -1.208 118.619 119.914 -0.145 0.000 2.914 522 V HA 0.224 4.344 4.120 0.001 0.000 0.314 522 V C -0.280 175.701 176.094 -0.190 0.000 1.084 522 V CA -1.288 60.904 62.300 -0.180 0.000 0.963 522 V CB 2.588 34.222 31.823 -0.315 0.000 1.025 522 V HN 0.176 nan 8.190 nan 0.000 0.432 523 C N 5.766 124.969 119.300 -0.163 0.000 2.652 523 C HA 0.369 4.830 4.460 0.001 0.000 0.412 523 C C -0.388 174.512 174.990 -0.149 0.000 1.294 523 C CA -0.596 58.334 59.018 -0.148 0.000 2.127 523 C CB 0.724 28.394 27.740 -0.117 0.000 2.691 523 C HN 0.878 nan 8.230 nan 0.000 0.615 524 P HA 0.118 nan 4.420 nan 0.000 0.224 524 P C 0.706 177.969 177.300 -0.060 0.000 1.159 524 P CA 1.515 64.564 63.100 -0.084 0.000 0.824 524 P CB 0.193 31.863 31.700 -0.050 0.000 0.833 525 A N 0.051 122.838 122.820 -0.055 0.000 2.197 525 A HA 0.075 4.396 4.320 0.001 0.000 0.210 525 A C 1.282 178.848 177.584 -0.030 0.000 1.180 525 A CA -0.012 52.005 52.037 -0.033 0.000 0.846 525 A CB -0.538 18.447 19.000 -0.025 0.000 0.884 525 A HN 0.178 nan 8.150 nan 0.000 0.487 526 E N 1.253 121.422 120.200 -0.052 0.000 1.893 526 E HA 0.344 4.695 4.350 0.001 0.000 0.269 526 E C -0.697 175.869 176.600 -0.057 0.000 1.129 526 E CA 0.024 56.394 56.400 -0.050 0.000 0.904 526 E CB 0.021 29.682 29.700 -0.065 0.000 1.077 526 E HN 0.182 nan 8.360 nan 0.000 0.407 527 T N 3.967 118.498 114.554 -0.039 0.000 2.923 527 T HA 0.410 4.761 4.350 0.001 0.000 0.311 527 T C -2.805 171.875 174.700 -0.033 0.000 1.183 527 T CA -1.734 60.339 62.100 -0.045 0.000 1.020 527 T CB 1.615 70.454 68.868 -0.048 0.000 1.165 527 T HN 0.284 nan 8.240 nan 0.000 0.482 528 P HA 0.253 nan 4.420 nan 0.000 0.271 528 P C -0.468 176.807 177.300 -0.041 0.000 1.220 528 P CA -0.210 62.860 63.100 -0.049 0.000 0.768 528 P CB 0.545 32.211 31.700 -0.056 0.000 0.848 529 E N 1.563 121.729 120.200 -0.057 0.000 2.398 529 E HA 0.293 4.644 4.350 0.001 0.000 0.263 529 E C 1.214 177.786 176.600 -0.047 0.000 1.046 529 E CA 0.023 56.391 56.400 -0.054 0.000 0.908 529 E CB 0.048 29.678 29.700 -0.117 0.000 0.963 529 E HN 0.726 nan 8.360 nan 0.000 0.431 530 G N 2.136 110.919 108.800 -0.029 0.000 2.582 530 G HA2 -0.459 3.501 3.960 0.001 0.000 0.300 530 G HA3 -0.459 3.501 3.960 0.001 0.000 0.300 530 G C 0.544 175.428 174.900 -0.027 0.000 1.300 530 G CA 0.827 45.912 45.100 -0.026 0.000 0.959 530 G HN 0.915 nan 8.290 nan 0.000 0.548 531 Q N -2.036 117.747 119.800 -0.028 0.000 2.599 531 Q HA -0.261 4.080 4.340 0.001 0.000 0.464 531 Q C 1.483 177.469 176.000 -0.024 0.000 0.526 531 Q CA 2.501 58.288 55.803 -0.027 0.000 0.994 531 Q CB -1.625 27.093 28.738 -0.033 0.000 2.123 531 Q HN 2.449 nan 8.270 nan 0.000 1.069 532 A N 0.770 123.573 122.820 -0.028 0.000 2.923 532 A HA 0.447 4.767 4.320 0.001 0.000 0.306 532 A C -0.326 177.242 177.584 -0.028 0.000 1.542 532 A CA -0.085 51.936 52.037 -0.026 0.000 1.225 532 A CB -0.045 18.938 19.000 -0.030 0.000 1.147 532 A HN 0.504 nan 8.150 nan 0.000 0.542 533 C N 2.108 121.395 119.300 -0.022 0.000 2.255 533 C HA 0.636 5.096 4.460 0.001 0.000 0.326 533 C C 1.517 176.495 174.990 -0.019 0.000 1.258 533 C CA 0.997 60.002 59.018 -0.021 0.000 1.676 533 C CB -0.869 26.864 27.740 -0.012 0.000 2.314 533 C HN 1.853 nan 8.230 nan 0.000 0.509 534 G N 4.827 113.609 108.800 -0.031 0.000 2.225 534 G HA2 -0.241 3.720 3.960 0.001 0.000 0.254 534 G HA3 -0.241 3.720 3.960 0.001 0.000 0.254 534 G C 0.598 175.479 174.900 -0.030 0.000 0.988 534 G CA 0.547 45.624 45.100 -0.038 0.000 0.625 534 G HN 0.725 nan 8.290 nan 0.000 0.527 535 L N 0.230 121.439 121.223 -0.022 0.000 2.509 535 L HA 0.342 4.682 4.340 0.001 0.000 0.222 535 L C 0.424 177.281 176.870 -0.022 0.000 1.123 535 L CA 0.466 55.298 54.840 -0.014 0.000 0.856 535 L CB 0.533 42.583 42.059 -0.015 0.000 0.985 535 L HN 0.149 nan 8.230 nan 0.000 0.456 536 V N 0.954 120.846 119.914 -0.036 0.000 2.447 536 V HA 0.257 4.378 4.120 0.001 0.000 0.292 536 V C -0.548 175.511 176.094 -0.059 0.000 1.021 536 V CA -0.777 61.498 62.300 -0.042 0.000 0.850 536 V CB 1.655 33.451 31.823 -0.046 0.000 1.005 536 V HN 0.171 nan 8.190 nan 0.000 0.426 537 K N 3.409 123.773 120.400 -0.061 0.000 2.281 537 K HA 0.673 4.994 4.320 0.001 0.000 0.242 537 K C -1.007 175.551 176.600 -0.071 0.000 0.971 537 K CA -1.045 55.187 56.287 -0.093 0.000 0.834 537 K CB 2.071 34.481 32.500 -0.149 0.000 1.181 537 K HN 0.375 nan 8.250 nan 0.000 0.435 538 N N 1.669 120.317 118.700 -0.087 0.000 2.342 538 N HA 0.301 5.042 4.740 0.001 0.000 0.293 538 N C -0.673 174.791 175.510 -0.078 0.000 1.026 538 N CA -0.612 52.395 53.050 -0.072 0.000 0.857 538 N CB 1.425 39.868 38.487 -0.074 0.000 1.256 538 N HN 0.412 nan 8.380 nan 0.000 0.484 539 L N 1.138 122.327 121.223 -0.056 0.000 2.461 539 L HA 0.126 4.466 4.340 0.001 0.000 0.272 539 L C 1.332 178.160 176.870 -0.069 0.000 1.197 539 L CA 0.166 54.976 54.840 -0.051 0.000 0.836 539 L CB 0.143 42.180 42.059 -0.038 0.000 1.105 539 L HN 0.360 nan 8.230 nan 0.000 0.477 540 S N 1.440 117.096 115.700 -0.074 0.000 2.606 540 S HA 0.211 4.682 4.470 0.001 0.000 0.257 540 S C 1.387 175.957 174.600 -0.050 0.000 1.327 540 S CA -0.633 57.521 58.200 -0.078 0.000 0.984 540 S CB 0.554 63.694 63.200 -0.100 0.000 0.941 540 S HN 0.476 nan 8.310 nan 0.000 0.576 541 L N 0.564 121.772 121.223 -0.026 0.000 2.027 541 L HA -0.118 4.223 4.340 0.001 0.000 0.206 541 L C 2.459 179.344 176.870 0.025 0.000 1.074 541 L CA 1.023 55.875 54.840 0.020 0.000 0.745 541 L CB -0.395 41.717 42.059 0.088 0.000 0.898 541 L HN 0.585 nan 8.230 nan 0.000 0.433 542 M N -0.002 119.629 119.600 0.051 0.000 2.132 542 M HA -0.032 4.449 4.480 0.001 0.000 0.263 542 M C 1.477 177.878 176.300 0.168 0.000 1.065 542 M CA 0.660 56.075 55.300 0.192 0.000 1.122 542 M CB -1.203 31.521 32.600 0.206 0.000 1.365 542 M HN 0.335 nan 8.290 nan 0.000 0.411 543 S N 0.244 115.964 115.700 0.033 0.000 2.553 543 S HA 0.090 4.561 4.470 0.001 0.000 0.293 543 S C 0.114 174.614 174.600 -0.165 0.000 1.296 543 S CA -0.561 57.604 58.200 -0.058 0.000 1.046 543 S CB 0.263 63.434 63.200 -0.048 0.000 0.810 543 S HN 0.458 nan 8.310 nan 0.000 0.505 544 C N 1.802 120.835 119.300 -0.445 0.000 3.291 544 C HA 0.620 5.080 4.460 0.001 0.000 0.316 544 C C -0.367 174.071 174.990 -0.920 0.000 1.391 544 C CA -0.926 57.715 59.018 -0.628 0.000 1.394 544 C CB 1.236 28.586 27.740 -0.649 0.000 1.744 544 C HN 0.944 nan 8.230 nan 0.000 0.461 545 I N 2.145 122.386 120.570 -0.548 0.000 2.441 545 I HA 0.333 4.503 4.170 0.001 0.000 0.295 545 I C 0.471 176.565 176.117 -0.039 0.000 0.994 545 I CA 0.099 61.214 61.300 -0.308 0.000 1.144 545 I CB 1.822 39.748 38.000 -0.123 0.000 1.314 545 I HN 0.784 nan 8.210 nan 0.000 0.445 546 S N 4.671 120.487 115.700 0.192 0.000 2.537 546 S HA 0.058 4.528 4.470 0.001 0.000 0.286 546 S C 0.675 175.372 174.600 0.161 0.000 1.299 546 S CA -0.604 57.803 58.200 0.345 0.000 1.067 546 S CB 1.554 64.916 63.200 0.270 0.000 0.864 546 S HN 0.557 nan 8.310 nan 0.000 0.494 547 V N 3.636 123.638 119.914 0.147 0.000 2.446 547 V HA 0.423 4.544 4.120 0.001 0.000 0.244 547 V C 1.124 177.255 176.094 0.062 0.000 1.039 547 V CA 1.741 64.090 62.300 0.082 0.000 1.045 547 V CB -0.638 31.216 31.823 0.052 0.000 0.681 547 V HN 1.719 nan 8.190 nan 0.000 0.459 548 G N 0.154 108.994 108.800 0.066 0.000 3.393 548 G HA2 0.004 3.964 3.960 0.001 0.000 0.676 548 G HA3 0.004 3.964 3.960 0.001 0.000 0.676 548 G C -0.417 174.511 174.900 0.047 0.000 1.224 548 G CA -0.208 44.928 45.100 0.060 0.000 1.109 548 G HN 0.523 nan 8.290 nan 0.000 0.519 549 T N 1.217 115.805 114.554 0.058 0.000 2.946 549 T HA 0.680 5.030 4.350 0.001 0.000 0.295 549 T C -0.121 174.623 174.700 0.073 0.000 1.143 549 T CA -0.372 61.763 62.100 0.058 0.000 0.944 549 T CB 1.172 70.069 68.868 0.047 0.000 1.800 549 T HN 0.589 nan 8.240 nan 0.000 0.590 550 D N 0.581 121.024 120.400 0.071 0.000 2.342 550 D HA 0.314 4.954 4.640 0.001 0.000 0.243 550 D C -1.525 174.809 176.300 0.056 0.000 1.019 550 D CA -2.229 51.814 54.000 0.071 0.000 0.864 550 D CB 2.273 43.118 40.800 0.075 0.000 1.315 550 D HN 0.092 nan 8.370 nan 0.000 0.468 551 P HA -0.057 nan 4.420 nan 0.000 0.214 551 P C 1.810 179.114 177.300 0.007 0.000 1.162 551 P CA 0.830 63.956 63.100 0.043 0.000 0.871 551 P CB 0.597 32.341 31.700 0.073 0.000 0.783 552 M N 0.700 120.310 119.600 0.017 0.000 2.110 552 M HA -0.122 4.358 4.480 0.001 0.000 0.257 552 M C -0.417 175.903 176.300 0.034 0.000 1.071 552 M CA 3.168 58.477 55.300 0.014 0.000 1.096 552 M CB -2.424 30.193 32.600 0.028 0.000 1.300 552 M HN 0.013 nan 8.290 nan 0.000 0.411 553 P HA -0.138 nan 4.420 nan 0.000 0.227 553 P C 0.924 178.278 177.300 0.091 0.000 1.145 553 P CA 1.518 64.665 63.100 0.079 0.000 0.769 553 P CB -0.273 31.465 31.700 0.064 0.000 0.769 554 I N -2.570 118.016 120.570 0.026 0.000 4.312 554 I HA 0.075 4.245 4.170 0.001 0.000 0.324 554 I C 2.341 178.455 176.117 -0.005 0.000 1.298 554 I CA -0.061 61.217 61.300 -0.037 0.000 1.231 554 I CB 0.155 38.090 38.000 -0.109 0.000 1.152 554 I HN -0.206 nan 8.210 nan 0.000 0.421 555 I N 0.947 121.495 120.570 -0.037 0.000 2.162 555 I HA -0.215 3.955 4.170 0.001 0.000 0.238 555 I C 2.469 178.585 176.117 -0.001 0.000 1.076 555 I CA 1.581 62.811 61.300 -0.116 0.000 1.353 555 I CB -0.256 37.610 38.000 -0.223 0.000 1.063 555 I HN 0.136 nan 8.210 nan 0.000 0.408 556 T N 0.911 115.490 114.554 0.041 0.000 2.720 556 T HA -0.253 4.098 4.350 0.001 0.000 0.268 556 T C 1.701 176.483 174.700 0.136 0.000 1.037 556 T CA 1.575 63.718 62.100 0.070 0.000 1.144 556 T CB -0.483 68.423 68.868 0.062 0.000 0.864 556 T HN 0.292 nan 8.240 nan 0.000 0.444 557 F N 0.821 120.774 119.950 0.006 0.000 2.216 557 F HA -0.022 4.505 4.527 0.001 0.000 0.300 557 F C 1.856 177.690 175.800 0.055 0.000 1.085 557 F CA 0.817 58.833 58.000 0.027 0.000 1.326 557 F CB -0.088 38.885 39.000 -0.044 0.000 1.027 557 F HN 0.087 nan 8.300 nan 0.000 0.497 558 L N -0.273 121.147 121.223 0.329 0.000 1.971 558 L HA -0.229 4.111 4.340 0.001 0.000 0.208 558 L C 2.847 179.831 176.870 0.191 0.000 1.083 558 L CA 1.457 56.430 54.840 0.221 0.000 0.753 558 L CB -1.057 41.047 42.059 0.075 0.000 0.893 558 L HN 0.223 nan 8.230 nan 0.000 0.436 559 S N -0.475 115.292 115.700 0.112 0.000 2.434 559 S HA -0.292 4.178 4.470 0.001 0.000 0.243 559 S C 1.345 175.999 174.600 0.091 0.000 1.045 559 S CA 1.710 59.960 58.200 0.083 0.000 1.019 559 S CB -0.709 62.520 63.200 0.049 0.000 0.811 559 S HN 0.491 nan 8.310 nan 0.000 0.485 560 E N -1.023 119.256 120.200 0.131 0.000 2.359 560 E HA 0.093 4.443 4.350 0.001 0.000 0.187 560 E C -0.331 176.314 176.600 0.074 0.000 1.081 560 E CA -0.086 56.360 56.400 0.076 0.000 0.929 560 E CB 0.001 29.729 29.700 0.046 0.000 1.086 560 E HN 0.803 nan 8.360 nan 0.000 0.462 561 W N -0.795 120.488 121.300 -0.029 0.000 1.780 561 W HA 0.255 4.916 4.660 0.001 0.000 0.256 561 W C 0.981 177.482 176.519 -0.029 0.000 0.844 561 W CA 0.050 57.380 57.345 -0.024 0.000 1.227 561 W CB 1.482 30.946 29.460 0.006 0.000 1.006 561 W HN 0.108 nan 8.180 nan 0.000 0.493 562 G N 0.557 109.446 108.800 0.149 0.000 2.507 562 G HA2 -0.142 3.819 3.960 0.001 0.000 0.205 562 G HA3 -0.142 3.819 3.960 0.001 0.000 0.205 562 G C -0.196 174.920 174.900 0.361 0.000 0.996 562 G CA -0.441 44.820 45.100 0.269 0.000 0.776 562 G HN 0.033 nan 8.290 nan 0.000 0.532 563 M N 2.406 122.095 119.600 0.147 0.000 2.094 563 M HA 0.477 4.958 4.480 0.001 0.000 0.348 563 M C -0.084 176.271 176.300 0.091 0.000 1.267 563 M CA -0.193 55.187 55.300 0.133 0.000 1.125 563 M CB 0.188 32.832 32.600 0.073 0.000 1.527 563 M HN 0.141 nan 8.290 nan 0.000 0.447 564 E N 7.734 127.987 120.200 0.089 0.000 2.029 564 E HA 0.187 4.537 4.350 0.001 0.000 0.276 564 E C -2.122 174.456 176.600 -0.037 0.000 1.163 564 E CA -1.768 54.646 56.400 0.024 0.000 0.909 564 E CB -0.114 29.602 29.700 0.025 0.000 1.046 564 E HN 0.487 nan 8.360 nan 0.000 0.406 565 P HA -0.182 nan 4.420 nan 0.000 0.265 565 P C 0.657 177.832 177.300 -0.209 0.000 1.167 565 P CA 0.056 63.100 63.100 -0.095 0.000 0.760 565 P CB 0.835 32.502 31.700 -0.055 0.000 0.783 566 L N 3.182 124.203 121.223 -0.337 0.000 2.127 566 L HA -0.193 4.147 4.340 0.001 0.000 0.211 566 L C 2.252 178.828 176.870 -0.489 0.000 1.089 566 L CA 1.848 56.319 54.840 -0.615 0.000 0.757 566 L CB -1.028 40.578 42.059 -0.756 0.000 0.899 566 L HN 0.289 nan 8.230 nan 0.000 0.434 567 E N 0.103 120.146 120.200 -0.262 0.000 2.169 567 E HA -0.208 4.142 4.350 0.001 0.000 0.202 567 E C 0.109 176.621 176.600 -0.148 0.000 1.016 567 E CA 1.450 57.748 56.400 -0.171 0.000 0.817 567 E CB -0.401 29.222 29.700 -0.130 0.000 0.736 567 E HN 0.634 nan 8.360 nan 0.000 0.462 568 D N -0.409 119.894 120.400 -0.163 0.000 2.434 568 D HA 0.125 4.766 4.640 0.001 0.000 0.275 568 D C -0.945 175.286 176.300 -0.115 0.000 1.172 568 D CA -0.302 53.633 54.000 -0.109 0.000 0.916 568 D CB 0.110 40.860 40.800 -0.084 0.000 1.041 568 D HN 0.011 nan 8.370 nan 0.000 0.501 569 Y N 1.156 121.266 120.300 -0.317 0.000 2.446 569 Y HA 0.438 4.988 4.550 0.001 0.000 0.338 569 Y C -0.477 175.353 175.900 -0.117 0.000 1.055 569 Y CA -1.046 56.855 58.100 -0.331 0.000 1.101 569 Y CB 1.657 39.682 38.460 -0.725 0.000 1.221 569 Y HN 0.057 nan 8.280 nan 0.000 0.460 570 V N 5.822 125.260 119.914 -0.792 0.000 2.380 570 V HA 0.384 4.504 4.120 0.001 0.000 0.268 570 V C -2.112 173.466 176.094 -0.860 0.000 1.008 570 V CA -1.728 60.200 62.300 -0.621 0.000 0.823 570 V CB 0.703 32.264 31.823 -0.436 0.000 1.053 570 V HN 0.732 nan 8.190 nan 0.000 0.446 571 P HA -0.326 nan 4.420 nan 0.000 0.214 571 P C 1.269 178.473 177.300 -0.160 0.000 1.099 571 P CA 2.854 65.773 63.100 -0.302 0.000 0.976 571 P CB -0.228 31.516 31.700 0.074 0.000 0.774 572 H N -0.991 118.025 119.070 -0.090 0.000 2.529 572 H HA 0.063 4.619 4.556 0.001 0.000 0.277 572 H C 2.088 177.376 175.328 -0.067 0.000 0.999 572 H CA 0.891 56.916 56.048 -0.039 0.000 1.256 572 H CB -0.908 28.847 29.762 -0.012 0.000 1.402 572 H HN 0.338 nan 8.280 nan 0.000 0.566 573 Q N 1.724 121.346 119.800 -0.297 0.000 2.230 573 Q HA -0.005 4.336 4.340 0.001 0.000 0.202 573 Q C -0.010 175.905 176.000 -0.142 0.000 0.963 573 Q CA 0.702 56.386 55.803 -0.198 0.000 0.866 573 Q CB 0.459 29.041 28.738 -0.260 0.000 0.931 573 Q HN 0.230 nan 8.270 nan 0.000 0.452 574 S N 2.086 117.673 115.700 -0.189 0.000 2.406 574 S HA 0.224 4.695 4.470 0.001 0.000 0.224 574 S C -2.107 172.496 174.600 0.005 0.000 1.426 574 S CA -1.167 56.972 58.200 -0.101 0.000 1.179 574 S CB 1.632 64.739 63.200 -0.155 0.000 1.042 574 S HN 0.293 nan 8.310 nan 0.000 0.479 575 P HA -0.111 nan 4.420 nan 0.000 0.208 575 P C 0.112 177.519 177.300 0.177 0.000 1.195 575 P CA 1.357 64.533 63.100 0.126 0.000 0.927 575 P CB 0.033 31.792 31.700 0.098 0.000 0.778 576 D N 0.203 120.686 120.400 0.140 0.000 2.519 576 D HA 0.257 4.898 4.640 0.001 0.000 0.238 576 D C 0.495 176.894 176.300 0.165 0.000 1.192 576 D CA -0.027 54.063 54.000 0.150 0.000 0.835 576 D CB -0.484 40.379 40.800 0.105 0.000 0.975 576 D HN 0.170 nan 8.370 nan 0.000 0.490 577 A N 0.766 123.713 122.820 0.211 0.000 2.567 577 A HA 0.126 4.447 4.320 0.001 0.000 0.240 577 A C 0.682 178.411 177.584 0.242 0.000 1.053 577 A CA 0.313 52.490 52.037 0.233 0.000 0.755 577 A CB 0.058 19.284 19.000 0.378 0.000 0.978 577 A HN 0.049 nan 8.150 nan 0.000 0.507 578 T N 4.635 119.304 114.554 0.193 0.000 2.811 578 T HA 0.360 4.711 4.350 0.001 0.000 0.309 578 T C 0.528 175.351 174.700 0.205 0.000 1.005 578 T CA -0.399 61.815 62.100 0.189 0.000 0.955 578 T CB -0.045 68.921 68.868 0.162 0.000 0.970 578 T HN 0.758 nan 8.240 nan 0.000 0.496 579 R N 1.748 122.376 120.500 0.213 0.000 2.543 579 R HA 0.535 4.876 4.340 0.001 0.000 0.277 579 R C -0.916 175.411 176.300 0.045 0.000 1.074 579 R CA -0.602 55.641 56.100 0.239 0.000 1.076 579 R CB 0.271 30.701 30.300 0.217 0.000 0.993 579 R HN 0.250 nan 8.270 nan 0.000 0.459 580 V N 3.159 123.100 119.914 0.046 0.000 2.555 580 V HA 0.471 4.591 4.120 0.001 0.000 0.302 580 V C -0.741 175.257 176.094 -0.161 0.000 1.038 580 V CA -0.711 61.584 62.300 -0.008 0.000 0.887 580 V CB 1.328 33.203 31.823 0.087 0.000 0.991 580 V HN 0.593 nan 8.190 nan 0.000 0.434 581 F N 2.512 122.504 119.950 0.069 0.000 2.508 581 F HA 0.727 5.254 4.527 0.001 0.000 0.325 581 F C -0.096 175.770 175.800 0.110 0.000 1.090 581 F CA -0.888 57.168 58.000 0.093 0.000 0.945 581 F CB 2.185 41.189 39.000 0.006 0.000 1.156 581 F HN 0.203 nan 8.300 nan 0.000 0.463 582 V N 3.661 123.840 119.914 0.441 0.000 2.482 582 V HA 0.317 4.437 4.120 0.001 0.000 0.295 582 V C -0.546 175.805 176.094 0.427 0.000 1.026 582 V CA -0.825 61.694 62.300 0.365 0.000 0.856 582 V CB 1.383 33.417 31.823 0.352 0.000 1.001 582 V HN 0.855 nan 8.190 nan 0.000 0.424 583 N N 4.426 123.422 118.700 0.494 0.000 2.708 583 N HA -0.198 4.543 4.740 0.001 0.000 0.251 583 N C 0.911 176.651 175.510 0.383 0.000 1.123 583 N CA 2.049 55.380 53.050 0.468 0.000 0.739 583 N CB -1.096 37.563 38.487 0.287 0.000 1.113 583 N HN 1.612 nan 8.380 nan 0.000 0.561 584 G N -3.187 105.927 108.800 0.523 0.000 2.131 584 G HA2 -0.190 3.770 3.960 0.001 0.000 0.223 584 G HA3 -0.190 3.770 3.960 0.001 0.000 0.223 584 G C -0.215 174.974 174.900 0.483 0.000 0.990 584 G CA 0.096 45.437 45.100 0.401 0.000 0.671 584 G HN 0.558 nan 8.290 nan 0.000 0.521 585 V N -0.318 119.876 119.914 0.465 0.000 2.680 585 V HA 0.704 4.825 4.120 0.001 0.000 0.309 585 V C -0.203 176.002 176.094 0.185 0.000 1.052 585 V CA -1.146 61.280 62.300 0.211 0.000 0.908 585 V CB 1.969 33.705 31.823 -0.146 0.000 1.001 585 V HN 0.286 nan 8.190 nan 0.000 0.431 586 W N 4.276 125.474 121.300 -0.170 0.000 2.360 586 W HA 0.421 5.082 4.660 0.001 0.000 0.344 586 W C 0.900 177.193 176.519 -0.377 0.000 1.025 586 W CA -0.753 56.348 57.345 -0.406 0.000 1.480 586 W CB -0.117 29.197 29.460 -0.243 0.000 1.350 586 W HN 0.684 nan 8.180 nan 0.000 0.382 587 H N 3.283 122.400 119.070 0.078 0.000 2.533 587 H HA 0.275 4.831 4.556 0.001 0.000 0.271 587 H C 1.267 176.512 175.328 -0.139 0.000 1.000 587 H CA 1.117 57.150 56.048 -0.024 0.000 1.149 587 H CB 0.182 29.959 29.762 0.026 0.000 1.375 587 H HN 0.533 nan 8.280 nan 0.000 0.582 588 G N -0.224 108.434 108.800 -0.237 0.000 2.316 588 G HA2 -0.013 3.948 3.960 0.001 0.000 0.349 588 G HA3 -0.013 3.948 3.960 0.001 0.000 0.349 588 G C -1.163 173.628 174.900 -0.182 0.000 1.274 588 G CA -0.323 44.552 45.100 -0.374 0.000 1.018 588 G HN 0.119 nan 8.290 nan 0.000 0.486 589 V N -0.773 119.086 119.914 -0.092 0.000 3.184 589 V HA 0.980 5.101 4.120 0.001 0.000 0.308 589 V C -0.188 176.023 176.094 0.194 0.000 1.243 589 V CA -0.195 62.161 62.300 0.093 0.000 1.058 589 V CB 1.991 33.881 31.823 0.112 0.000 1.183 589 V HN 1.562 nan 8.190 nan 0.000 0.471 590 H N -0.489 118.639 119.070 0.097 0.000 3.112 590 H HA 0.514 5.071 4.556 0.001 0.000 0.347 590 H C -0.078 175.309 175.328 0.099 0.000 1.188 590 H CA -0.688 55.414 56.048 0.090 0.000 1.240 590 H CB 1.373 31.191 29.762 0.094 0.000 1.920 590 H HN 0.570 nan 8.280 nan 0.000 0.535 591 R N 1.600 121.761 120.500 -0.565 0.000 1.485 591 R HA 0.076 4.416 4.340 0.001 0.000 0.072 591 R C 0.235 176.283 176.300 -0.420 0.000 0.482 591 R CA -0.572 55.308 56.100 -0.368 0.000 2.045 591 R CB -0.601 29.538 30.300 -0.269 0.000 0.531 591 R HN 0.616 nan 8.270 nan 0.000 0.758 592 N N 3.347 121.897 118.700 -0.250 0.000 2.355 592 N HA -0.063 4.677 4.740 0.001 0.000 0.282 592 N C -1.674 173.862 175.510 0.044 0.000 1.374 592 N CA -0.337 52.672 53.050 -0.070 0.000 0.929 592 N CB 0.618 39.100 38.487 -0.010 0.000 1.278 592 N HN 0.301 nan 8.380 nan 0.000 0.491 593 P HA 0.078 nan 4.420 nan 0.000 0.259 593 P C 0.974 178.390 177.300 0.193 0.000 1.233 593 P CA 0.148 63.449 63.100 0.334 0.000 0.827 593 P CB 0.201 32.086 31.700 0.308 0.000 1.154 594 A N 1.724 124.625 122.820 0.135 0.000 1.985 594 A HA -0.266 4.054 4.320 0.001 0.000 0.223 594 A C 2.360 180.005 177.584 0.101 0.000 1.189 594 A CA 1.936 54.032 52.037 0.098 0.000 0.658 594 A CB -1.136 17.912 19.000 0.080 0.000 0.820 594 A HN 0.187 nan 8.150 nan 0.000 0.464 595 R N -1.785 118.796 120.500 0.134 0.000 2.075 595 R HA 0.082 4.422 4.340 0.001 0.000 0.220 595 R C 2.134 178.511 176.300 0.129 0.000 1.118 595 R CA 0.903 57.085 56.100 0.136 0.000 0.986 595 R CB -0.633 29.770 30.300 0.171 0.000 0.884 595 R HN 0.469 nan 8.270 nan 0.000 0.439 596 L N 1.331 122.652 121.223 0.163 0.000 2.137 596 L HA -0.230 4.110 4.340 0.001 0.000 0.213 596 L C 2.176 179.043 176.870 -0.005 0.000 1.085 596 L CA 1.768 56.648 54.840 0.067 0.000 0.760 596 L CB -0.435 41.604 42.059 -0.034 0.000 0.893 596 L HN 0.143 nan 8.230 nan 0.000 0.434 597 M N 0.179 119.797 119.600 0.029 0.000 2.091 597 M HA -0.215 4.265 4.480 0.001 0.000 0.259 597 M C 2.296 178.581 176.300 -0.025 0.000 1.076 597 M CA 2.287 57.588 55.300 0.001 0.000 1.111 597 M CB -0.845 31.774 32.600 0.030 0.000 1.291 597 M HN 0.418 nan 8.290 nan 0.000 0.417 598 E N -1.599 118.601 120.200 0.000 0.000 2.396 598 E HA -0.169 4.181 4.350 0.001 0.000 0.200 598 E C 1.221 177.796 176.600 -0.042 0.000 1.023 598 E CA 1.487 57.880 56.400 -0.012 0.000 0.857 598 E CB -0.002 29.706 29.700 0.013 0.000 0.775 598 E HN 0.608 nan 8.360 nan 0.000 0.525 599 T N 0.162 114.676 114.554 -0.066 0.000 2.937 599 T HA 0.025 4.376 4.350 0.001 0.000 0.260 599 T C 1.659 176.212 174.700 -0.245 0.000 1.051 599 T CA 0.444 62.450 62.100 -0.157 0.000 1.141 599 T CB 0.069 68.799 68.868 -0.231 0.000 0.879 599 T HN 0.160 nan 8.240 nan 0.000 0.459 600 L N 0.356 121.441 121.223 -0.230 0.000 2.179 600 L HA 0.080 4.420 4.340 0.001 0.000 0.208 600 L C 2.807 179.554 176.870 -0.206 0.000 1.096 600 L CA 0.959 55.630 54.840 -0.282 0.000 0.779 600 L CB -0.335 41.576 42.059 -0.247 0.000 0.922 600 L HN 0.118 nan 8.230 nan 0.000 0.443 601 R N -0.527 119.894 120.500 -0.133 0.000 2.092 601 R HA -0.077 4.263 4.340 0.001 0.000 0.231 601 R C 1.839 178.080 176.300 -0.097 0.000 1.119 601 R CA 1.657 57.702 56.100 -0.093 0.000 0.970 601 R CB -0.387 29.884 30.300 -0.048 0.000 0.864 601 R HN 0.284 nan 8.270 nan 0.000 0.440 602 T N 1.184 115.679 114.554 -0.098 0.000 3.129 602 T HA 0.082 4.433 4.350 0.001 0.000 0.251 602 T C 1.477 176.118 174.700 -0.099 0.000 1.117 602 T CA 0.174 62.224 62.100 -0.083 0.000 1.034 602 T CB 0.198 69.032 68.868 -0.056 0.000 0.968 602 T HN 0.025 nan 8.240 nan 0.000 0.526 603 L N 1.212 122.346 121.223 -0.148 0.000 2.102 603 L HA 0.208 4.549 4.340 0.001 0.000 0.202 603 L C 2.589 179.368 176.870 -0.152 0.000 1.076 603 L CA 1.393 56.131 54.840 -0.170 0.000 0.761 603 L CB -0.658 41.206 42.059 -0.324 0.000 0.921 603 L HN 0.196 nan 8.230 nan 0.000 0.444 604 R N 0.486 120.889 120.500 -0.162 0.000 2.061 604 R HA -0.149 4.192 4.340 0.001 0.000 0.230 604 R C 2.006 178.230 176.300 -0.126 0.000 1.140 604 R CA 1.165 57.179 56.100 -0.143 0.000 0.940 604 R CB -0.211 30.005 30.300 -0.139 0.000 0.839 604 R HN 0.248 nan 8.270 nan 0.000 0.429 605 R N 0.420 120.849 120.500 -0.118 0.000 2.438 605 R HA -0.158 4.182 4.340 0.001 0.000 0.227 605 R C 1.942 178.181 176.300 -0.101 0.000 1.153 605 R CA 1.132 57.163 56.100 -0.116 0.000 1.059 605 R CB -0.097 30.145 30.300 -0.098 0.000 0.831 605 R HN 0.341 nan 8.270 nan 0.000 0.487 606 K N -0.838 119.510 120.400 -0.086 0.000 2.286 606 K HA 0.025 4.346 4.320 0.001 0.000 0.203 606 K C 0.973 177.538 176.600 -0.058 0.000 1.078 606 K CA 1.113 57.364 56.287 -0.060 0.000 0.957 606 K CB 0.847 33.324 32.500 -0.038 0.000 1.018 606 K HN 0.196 nan 8.250 nan 0.000 0.484 607 G N 0.931 109.692 108.800 -0.065 0.000 2.507 607 G HA2 -0.113 3.848 3.960 0.001 0.000 0.205 607 G HA3 -0.113 3.848 3.960 0.001 0.000 0.205 607 G C 0.124 175.002 174.900 -0.037 0.000 0.996 607 G CA 0.169 45.237 45.100 -0.053 0.000 0.776 607 G HN 0.277 nan 8.290 nan 0.000 0.532 608 D N 0.368 120.741 120.400 -0.044 0.000 2.202 608 D HA 0.125 4.766 4.640 0.001 0.000 0.214 608 D C 1.314 177.571 176.300 -0.073 0.000 0.967 608 D CA 0.570 54.553 54.000 -0.028 0.000 0.871 608 D CB 0.498 41.301 40.800 0.006 0.000 1.020 608 D HN 0.407 nan 8.370 nan 0.000 0.474 609 I N 2.625 123.111 120.570 -0.140 0.000 2.291 609 I HA 0.021 4.192 4.170 0.001 0.000 0.292 609 I C 0.517 176.567 176.117 -0.112 0.000 1.064 609 I CA -0.521 60.678 61.300 -0.168 0.000 1.269 609 I CB 0.313 38.162 38.000 -0.252 0.000 1.418 609 I HN -0.128 nan 8.210 nan 0.000 0.485 610 N N 8.898 127.556 118.700 -0.071 0.000 2.034 610 N HA -0.107 4.633 4.740 0.001 0.000 0.293 610 N C -1.559 173.908 175.510 -0.071 0.000 1.336 610 N CA -0.403 52.619 53.050 -0.047 0.000 0.819 610 N CB 0.914 39.393 38.487 -0.013 0.000 1.071 610 N HN 0.332 nan 8.380 nan 0.000 0.495 611 P HA -0.181 nan 4.420 nan 0.000 0.222 611 P C 0.876 178.101 177.300 -0.124 0.000 1.139 611 P CA 1.138 64.136 63.100 -0.170 0.000 0.790 611 P CB 0.331 31.868 31.700 -0.273 0.000 0.757 612 E N -0.548 119.618 120.200 -0.057 0.000 2.022 612 E HA -0.040 4.310 4.350 0.001 0.000 0.190 612 E C 0.238 176.780 176.600 -0.096 0.000 0.973 612 E CA 0.199 56.532 56.400 -0.110 0.000 0.816 612 E CB -0.137 29.552 29.700 -0.018 0.000 0.781 612 E HN -0.205 nan 8.360 nan 0.000 0.456 613 V N 2.203 122.100 119.914 -0.029 0.000 3.005 613 V HA -0.163 3.957 4.120 0.001 0.000 0.287 613 V C 0.363 176.455 176.094 -0.003 0.000 1.344 613 V CA 0.974 63.279 62.300 0.008 0.000 1.410 613 V CB 0.556 32.375 31.823 -0.006 0.000 0.913 613 V HN 0.422 nan 8.190 nan 0.000 0.525 614 S N 5.380 121.109 115.700 0.048 0.000 2.532 614 S HA 0.923 5.393 4.470 0.001 0.000 0.301 614 S C -0.879 173.697 174.600 -0.040 0.000 1.083 614 S CA -1.022 57.196 58.200 0.029 0.000 1.025 614 S CB 1.892 65.158 63.200 0.110 0.000 1.056 614 S HN 0.630 nan 8.310 nan 0.000 0.494 615 M N 1.988 121.550 119.600 -0.064 0.000 2.277 615 M HA 0.577 5.057 4.480 0.001 0.000 0.282 615 M C -1.912 174.343 176.300 -0.075 0.000 1.074 615 M CA -0.553 54.683 55.300 -0.106 0.000 0.954 615 M CB 1.611 34.154 32.600 -0.095 0.000 1.672 615 M HN 0.482 nan 8.290 nan 0.000 0.471 616 I N 1.736 122.248 120.570 -0.097 0.000 2.545 616 I HA 0.574 4.745 4.170 0.001 0.000 0.292 616 I C -0.499 175.603 176.117 -0.024 0.000 1.040 616 I CA -0.567 60.705 61.300 -0.046 0.000 1.068 616 I CB 2.187 40.163 38.000 -0.041 0.000 1.251 616 I HN 0.723 nan 8.210 nan 0.000 0.424 617 R N 3.883 124.387 120.500 0.006 0.000 2.265 617 R HA 0.298 4.638 4.340 0.001 0.000 0.328 617 R C -0.879 175.441 176.300 0.034 0.000 0.969 617 R CA -0.345 55.771 56.100 0.026 0.000 0.832 617 R CB 0.746 31.068 30.300 0.037 0.000 1.139 617 R HN 0.657 nan 8.270 nan 0.000 0.457 618 D N 6.750 127.174 120.400 0.040 0.000 2.622 618 D HA 0.095 4.735 4.640 0.001 0.000 0.262 618 D C 1.457 177.789 176.300 0.055 0.000 1.189 618 D CA -0.162 53.864 54.000 0.043 0.000 0.985 618 D CB 0.408 41.232 40.800 0.040 0.000 0.994 618 D HN 0.658 nan 8.370 nan 0.000 0.513 619 I N 1.133 121.735 120.570 0.053 0.000 2.143 619 I HA -0.387 3.783 4.170 0.001 0.000 0.245 619 I C 2.455 178.607 176.117 0.059 0.000 1.068 619 I CA 1.198 62.534 61.300 0.059 0.000 1.326 619 I CB -0.145 37.886 38.000 0.051 0.000 1.028 619 I HN 0.219 nan 8.210 nan 0.000 0.412 620 R N 0.437 120.967 120.500 0.050 0.000 2.105 620 R HA -0.228 4.113 4.340 0.001 0.000 0.239 620 R C 2.027 178.360 176.300 0.054 0.000 1.135 620 R CA 1.753 57.882 56.100 0.047 0.000 0.967 620 R CB -0.381 29.941 30.300 0.037 0.000 0.861 620 R HN 0.348 nan 8.270 nan 0.000 0.442 621 E N 0.841 121.076 120.200 0.059 0.000 2.472 621 E HA 0.017 4.367 4.350 0.001 0.000 0.196 621 E C -0.619 176.037 176.600 0.094 0.000 1.033 621 E CA 0.066 56.507 56.400 0.068 0.000 0.886 621 E CB 0.239 29.975 29.700 0.061 0.000 0.944 621 E HN 0.051 nan 8.360 nan 0.000 0.492 622 K N 1.187 121.643 120.400 0.094 0.000 3.898 622 K HA -0.189 4.131 4.320 0.001 0.000 0.282 622 K C -1.010 175.667 176.600 0.127 0.000 1.014 622 K CA 0.901 57.257 56.287 0.115 0.000 0.848 622 K CB -1.369 31.213 32.500 0.136 0.000 1.469 622 K HN 0.309 nan 8.250 nan 0.000 0.446 623 E N 0.077 120.343 120.200 0.111 0.000 2.433 623 E HA 0.577 4.927 4.350 0.001 0.000 0.278 623 E C -1.392 175.269 176.600 0.103 0.000 0.976 623 E CA -1.216 55.258 56.400 0.123 0.000 0.793 623 E CB 1.898 31.683 29.700 0.143 0.000 1.311 623 E HN 0.075 nan 8.360 nan 0.000 0.460 624 L N 1.744 123.038 121.223 0.118 0.000 2.446 624 L HA 0.350 4.691 4.340 0.001 0.000 0.268 624 L C -1.510 175.398 176.870 0.063 0.000 0.975 624 L CA -0.441 54.440 54.840 0.069 0.000 0.848 624 L CB 1.125 43.222 42.059 0.064 0.000 1.225 624 L HN 0.272 nan 8.230 nan 0.000 0.410 625 K N 6.625 126.986 120.400 -0.065 0.000 2.240 625 K HA 0.578 4.899 4.320 0.001 0.000 0.271 625 K C -1.053 175.290 176.600 -0.429 0.000 1.018 625 K CA -0.325 55.792 56.287 -0.282 0.000 0.874 625 K CB 1.987 34.219 32.500 -0.446 0.000 1.098 625 K HN 0.550 nan 8.250 nan 0.000 0.458 626 I N 4.369 124.685 120.570 -0.423 0.000 2.439 626 I HA 0.340 4.511 4.170 0.001 0.000 0.283 626 I C -0.729 175.279 176.117 -0.183 0.000 1.023 626 I CA -0.626 60.508 61.300 -0.277 0.000 1.100 626 I CB 0.905 38.852 38.000 -0.088 0.000 1.238 626 I HN 0.385 nan 8.210 nan 0.000 0.445 627 F N 3.623 123.602 119.950 0.048 0.000 2.469 627 F HA 0.332 4.859 4.527 0.001 0.000 0.332 627 F C 1.201 177.021 175.800 0.035 0.000 1.103 627 F CA -0.584 57.445 58.000 0.048 0.000 0.979 627 F CB 2.269 41.291 39.000 0.038 0.000 1.137 627 F HN 0.310 nan 8.300 nan 0.000 0.463 628 T N -0.076 114.630 114.554 0.252 0.000 3.040 628 T HA -0.006 4.345 4.350 0.001 0.000 0.266 628 T C 0.189 174.962 174.700 0.122 0.000 1.005 628 T CA -0.153 62.033 62.100 0.143 0.000 0.906 628 T CB -0.393 68.540 68.868 0.108 0.000 1.082 628 T HN 0.532 nan 8.240 nan 0.000 0.531 629 D N 2.364 122.837 120.400 0.122 0.000 2.795 629 D HA -0.028 4.613 4.640 0.001 0.000 0.221 629 D C -0.006 176.321 176.300 0.044 0.000 1.108 629 D CA 0.476 54.498 54.000 0.037 0.000 0.832 629 D CB 0.558 41.306 40.800 -0.087 0.000 1.183 629 D HN 0.410 nan 8.370 nan 0.000 0.503 630 A N 2.542 125.381 122.820 0.032 0.000 2.316 630 A HA 0.554 4.875 4.320 0.001 0.000 0.311 630 A C 1.009 178.602 177.584 0.014 0.000 1.339 630 A CA 0.367 52.430 52.037 0.042 0.000 0.960 630 A CB 0.481 19.512 19.000 0.051 0.000 1.152 630 A HN 0.720 nan 8.150 nan 0.000 0.547 631 G N 2.439 111.249 108.800 0.018 0.000 2.215 631 G HA2 -0.089 3.872 3.960 0.001 0.000 0.187 631 G HA3 -0.089 3.872 3.960 0.001 0.000 0.187 631 G C -0.058 174.809 174.900 -0.055 0.000 1.039 631 G CA -0.718 44.366 45.100 -0.026 0.000 0.771 631 G HN 0.751 nan 8.290 nan 0.000 0.507 632 R N 0.159 120.664 120.500 0.009 0.000 2.346 632 R HA 0.596 4.937 4.340 0.001 0.000 0.311 632 R C -0.030 176.297 176.300 0.045 0.000 0.983 632 R CA -0.661 55.450 56.100 0.019 0.000 0.880 632 R CB 2.326 32.692 30.300 0.110 0.000 1.100 632 R HN 0.040 nan 8.270 nan 0.000 0.453 633 V N 4.950 124.855 119.914 -0.016 0.000 2.461 633 V HA 0.229 4.350 4.120 0.001 0.000 0.275 633 V C -0.717 175.447 176.094 0.117 0.000 1.047 633 V CA -0.219 62.072 62.300 -0.015 0.000 0.955 633 V CB 0.309 32.211 31.823 0.131 0.000 0.988 633 V HN 0.655 nan 8.190 nan 0.000 0.471 634 Y N 4.103 124.440 120.300 0.061 0.000 2.524 634 Y HA 0.857 5.407 4.550 0.001 0.000 0.347 634 Y C -0.400 175.509 175.900 0.016 0.000 1.005 634 Y CA -1.809 56.327 58.100 0.059 0.000 1.025 634 Y CB 1.375 39.864 38.460 0.049 0.000 1.275 634 Y HN 0.667 nan 8.280 nan 0.000 0.460 635 R N 2.080 122.750 120.500 0.282 0.000 2.832 635 R HA 0.733 5.074 4.340 0.001 0.000 0.271 635 R C -3.189 173.272 176.300 0.267 0.000 0.996 635 R CA -2.054 54.166 56.100 0.201 0.000 0.977 635 R CB 2.450 32.835 30.300 0.141 0.000 1.168 635 R HN 0.492 nan 8.270 nan 0.000 0.482 636 P HA 0.352 nan 4.420 nan 0.000 0.290 636 P C -0.913 176.492 177.300 0.176 0.000 1.276 636 P CA -0.464 62.833 63.100 0.329 0.000 0.808 636 P CB 1.511 33.435 31.700 0.372 0.000 0.966 637 L N 2.821 124.144 121.223 0.167 0.000 2.350 637 L HA 0.504 4.844 4.340 0.001 0.000 0.260 637 L C 0.160 177.167 176.870 0.228 0.000 1.015 637 L CA -1.187 53.724 54.840 0.118 0.000 0.821 637 L CB 2.150 44.296 42.059 0.145 0.000 1.370 637 L HN 0.297 nan 8.230 nan 0.000 0.416 638 F N 2.187 122.209 119.950 0.120 0.000 2.438 638 F HA 0.343 4.870 4.527 0.001 0.000 0.356 638 F C 0.502 176.334 175.800 0.054 0.000 1.099 638 F CA -0.717 57.310 58.000 0.045 0.000 1.185 638 F CB 1.033 40.044 39.000 0.018 0.000 1.115 638 F HN 0.166 nan 8.300 nan 0.000 0.526 639 I N 4.555 125.213 120.570 0.148 0.000 2.474 639 I HA 0.039 4.209 4.170 0.001 0.000 0.287 639 I C 0.559 176.610 176.117 -0.109 0.000 1.048 639 I CA -0.169 61.077 61.300 -0.091 0.000 1.383 639 I CB 1.473 39.395 38.000 -0.130 0.000 1.412 639 I HN 0.448 nan 8.210 nan 0.000 0.531 640 V N 3.502 123.325 119.914 -0.151 0.000 3.643 640 V HA 0.024 4.144 4.120 0.001 0.000 0.280 640 V C 0.412 176.447 176.094 -0.097 0.000 1.351 640 V CA -0.079 62.167 62.300 -0.090 0.000 1.073 640 V CB -0.846 30.969 31.823 -0.013 0.000 0.863 640 V HN 0.705 nan 8.190 nan 0.000 0.436 641 E N 2.915 123.045 120.200 -0.116 0.000 3.556 641 E HA -0.217 4.133 4.350 0.001 0.000 0.291 641 E C 0.868 177.424 176.600 -0.073 0.000 0.761 641 E CA 0.939 57.288 56.400 -0.085 0.000 1.045 641 E CB -0.028 29.620 29.700 -0.086 0.000 0.825 641 E HN 0.740 nan 8.360 nan 0.000 0.541 642 D N 2.291 122.661 120.400 -0.049 0.000 2.389 642 D HA -0.161 4.480 4.640 0.001 0.000 0.250 642 D C -0.416 175.851 176.300 -0.054 0.000 1.136 642 D CA 0.019 53.985 54.000 -0.057 0.000 0.945 642 D CB -0.105 40.687 40.800 -0.012 0.000 0.890 642 D HN 0.168 nan 8.370 nan 0.000 0.525 643 D N 1.598 121.966 120.400 -0.053 0.000 2.892 643 D HA -0.018 4.622 4.640 0.001 0.000 0.229 643 D C -0.083 176.190 176.300 -0.045 0.000 1.124 643 D CA 0.642 54.617 54.000 -0.041 0.000 1.060 643 D CB -0.208 40.568 40.800 -0.040 0.000 1.182 643 D HN 0.283 nan 8.370 nan 0.000 0.439 644 E N 0.052 120.222 120.200 -0.050 0.000 2.267 644 E HA 0.083 4.433 4.350 0.001 0.000 0.248 644 E C 0.371 176.957 176.600 -0.022 0.000 0.899 644 E CA -0.245 56.126 56.400 -0.048 0.000 0.764 644 E CB 1.179 30.826 29.700 -0.088 0.000 1.227 644 E HN 0.034 nan 8.360 nan 0.000 0.421 645 S N 2.511 118.204 115.700 -0.011 0.000 2.660 645 S HA 0.069 4.540 4.470 0.001 0.000 0.223 645 S C 1.106 175.710 174.600 0.008 0.000 0.963 645 S CA 0.011 58.212 58.200 0.002 0.000 0.932 645 S CB -0.123 63.078 63.200 0.002 0.000 0.775 645 S HN 0.458 nan 8.310 nan 0.000 0.531 646 L N 1.355 122.581 121.223 0.005 0.000 3.154 646 L HA 0.558 4.899 4.340 0.001 0.000 0.266 646 L C 0.983 177.874 176.870 0.035 0.000 1.300 646 L CA -0.186 54.663 54.840 0.014 0.000 1.028 646 L CB 0.131 42.193 42.059 0.005 0.000 1.412 646 L HN 0.568 nan 8.230 nan 0.000 0.564 647 G N -1.223 107.609 108.800 0.052 0.000 2.403 647 G HA2 -0.032 3.929 3.960 0.001 0.000 0.223 647 G HA3 -0.032 3.929 3.960 0.001 0.000 0.223 647 G C -0.364 174.625 174.900 0.148 0.000 1.287 647 G CA -0.125 45.052 45.100 0.128 0.000 0.982 647 G HN 0.105 nan 8.290 nan 0.000 0.471 648 H N 0.764 119.838 119.070 0.007 0.000 3.609 648 H HA 0.636 5.192 4.556 0.001 0.000 0.116 648 H C 0.342 175.677 175.328 0.012 0.000 1.561 648 H CA 0.620 56.678 56.048 0.016 0.000 1.579 648 H CB -0.501 29.275 29.762 0.023 0.000 0.891 648 H HN 0.531 nan 8.280 nan 0.000 0.669 649 K N -0.139 120.083 120.400 -0.296 0.000 2.118 649 K HA 0.371 4.691 4.320 0.001 0.000 0.254 649 K C -1.039 175.276 176.600 -0.476 0.000 0.961 649 K CA -0.419 55.725 56.287 -0.239 0.000 0.876 649 K CB 1.364 33.860 32.500 -0.006 0.000 1.077 649 K HN 0.616 nan 8.250 nan 0.000 0.440 650 E N 2.156 122.193 120.200 -0.272 0.000 2.401 650 E HA 0.172 4.522 4.350 0.001 0.000 0.283 650 E C -1.707 174.795 176.600 -0.163 0.000 1.053 650 E CA -0.504 55.748 56.400 -0.247 0.000 0.842 650 E CB 0.624 30.151 29.700 -0.289 0.000 1.222 650 E HN 0.486 nan 8.360 nan 0.000 0.429 651 L N 4.846 125.978 121.223 -0.152 0.000 2.628 651 L HA 0.038 4.379 4.340 0.001 0.000 0.274 651 L C 1.558 178.318 176.870 -0.183 0.000 1.209 651 L CA 0.347 55.084 54.840 -0.171 0.000 0.930 651 L CB 0.341 42.265 42.059 -0.224 0.000 1.183 651 L HN 0.669 nan 8.230 nan 0.000 0.492 652 K N 2.260 122.550 120.400 -0.183 0.000 2.152 652 K HA -0.078 4.243 4.320 0.001 0.000 0.206 652 K C 0.458 176.946 176.600 -0.186 0.000 1.048 652 K CA 0.805 56.996 56.287 -0.161 0.000 0.933 652 K CB 0.030 32.436 32.500 -0.157 0.000 0.721 652 K HN 0.396 nan 8.250 nan 0.000 0.447 653 V N 2.311 122.035 119.914 -0.318 0.000 2.881 653 V HA 0.068 4.189 4.120 0.001 0.000 0.303 653 V C 0.487 176.510 176.094 -0.118 0.000 1.070 653 V CA -0.083 62.014 62.300 -0.337 0.000 1.074 653 V CB 1.094 32.586 31.823 -0.552 0.000 1.012 653 V HN 0.228 nan 8.190 nan 0.000 0.482 654 R N 1.893 122.485 120.500 0.155 0.000 2.808 654 R HA 0.346 4.687 4.340 0.001 0.000 0.272 654 R C 0.634 176.976 176.300 0.069 0.000 0.995 654 R CA -1.056 55.089 56.100 0.074 0.000 0.917 654 R CB 1.095 31.433 30.300 0.063 0.000 1.217 654 R HN 0.631 nan 8.270 nan 0.000 0.471 655 K N 0.563 120.975 120.400 0.020 0.000 2.520 655 K HA -0.146 4.175 4.320 0.001 0.000 0.198 655 K C 1.308 177.925 176.600 0.028 0.000 1.045 655 K CA 1.861 58.164 56.287 0.026 0.000 0.934 655 K CB -0.206 32.302 32.500 0.014 0.000 0.766 655 K HN 0.727 nan 8.250 nan 0.000 0.483 656 G N -0.840 107.961 108.800 0.002 0.000 2.497 656 G HA2 -0.137 3.824 3.960 0.001 0.000 0.210 656 G HA3 -0.137 3.824 3.960 0.001 0.000 0.210 656 G C 0.983 175.882 174.900 -0.001 0.000 1.177 656 G CA 0.043 45.114 45.100 -0.048 0.000 0.822 656 G HN 0.314 nan 8.290 nan 0.000 0.550 657 H N 0.740 119.851 119.070 0.070 0.000 2.357 657 H HA -0.094 4.462 4.556 0.001 0.000 0.296 657 H C 2.606 178.069 175.328 0.225 0.000 1.108 657 H CA 1.463 57.632 56.048 0.201 0.000 1.273 657 H CB -0.125 29.719 29.762 0.136 0.000 1.367 657 H HN 0.276 nan 8.280 nan 0.000 0.498 658 I N 0.619 121.333 120.570 0.240 0.000 2.058 658 I HA -0.280 3.891 4.170 0.001 0.000 0.235 658 I C 2.753 178.970 176.117 0.167 0.000 1.053 658 I CA 1.231 62.638 61.300 0.177 0.000 1.313 658 I CB -0.447 37.628 38.000 0.125 0.000 1.039 658 I HN 0.171 nan 8.210 nan 0.000 0.396 659 A N -0.075 122.816 122.820 0.118 0.000 2.186 659 A HA -0.250 4.070 4.320 0.001 0.000 0.219 659 A C 2.240 179.890 177.584 0.110 0.000 1.159 659 A CA 1.635 53.728 52.037 0.092 0.000 0.680 659 A CB -0.558 18.471 19.000 0.047 0.000 0.787 659 A HN 0.428 nan 8.150 nan 0.000 0.467 660 K N -0.974 119.522 120.400 0.160 0.000 2.356 660 K HA 0.269 4.589 4.320 0.001 0.000 0.195 660 K C 1.500 178.316 176.600 0.359 0.000 1.037 660 K CA 0.185 56.584 56.287 0.186 0.000 1.014 660 K CB -0.059 32.500 32.500 0.099 0.000 0.815 660 K HN 0.488 nan 8.250 nan 0.000 0.507 661 L N 0.095 121.521 121.223 0.339 0.000 2.189 661 L HA 0.065 4.406 4.340 0.001 0.000 0.199 661 L C 2.141 179.141 176.870 0.217 0.000 1.074 661 L CA 0.538 55.543 54.840 0.276 0.000 0.783 661 L CB -0.085 42.081 42.059 0.179 0.000 0.955 661 L HN 0.171 nan 8.230 nan 0.000 0.460 662 M N -0.461 119.252 119.600 0.188 0.000 2.530 662 M HA -0.172 4.308 4.480 0.001 0.000 0.261 662 M C 2.141 178.540 176.300 0.166 0.000 1.067 662 M CA 1.334 56.734 55.300 0.168 0.000 1.071 662 M CB -0.433 32.247 32.600 0.135 0.000 1.405 662 M HN 0.312 nan 8.290 nan 0.000 0.478 663 A N -0.078 122.841 122.820 0.165 0.000 1.930 663 A HA -0.061 4.259 4.320 0.001 0.000 0.215 663 A C 2.134 179.838 177.584 0.200 0.000 1.176 663 A CA 1.562 53.695 52.037 0.160 0.000 0.632 663 A CB -0.715 18.360 19.000 0.124 0.000 0.819 663 A HN 0.413 nan 8.150 nan 0.000 0.445 664 T N -0.184 114.489 114.554 0.198 0.000 3.055 664 T HA -0.018 4.332 4.350 0.001 0.000 0.265 664 T C 1.533 176.336 174.700 0.173 0.000 1.111 664 T CA 1.083 63.293 62.100 0.183 0.000 1.118 664 T CB -0.043 68.944 68.868 0.200 0.000 0.909 664 T HN 0.563 nan 8.240 nan 0.000 0.501 665 E N 0.016 120.331 120.200 0.191 0.000 2.216 665 E HA -0.059 4.292 4.350 0.001 0.000 0.192 665 E C 1.561 178.276 176.600 0.192 0.000 0.988 665 E CA 0.532 57.040 56.400 0.179 0.000 0.834 665 E CB -0.069 29.742 29.700 0.185 0.000 0.772 665 E HN 0.501 nan 8.360 nan 0.000 0.479 666 Y N 1.600 121.943 120.300 0.072 0.000 2.373 666 Y HA -0.039 4.511 4.550 0.001 0.000 0.293 666 Y C 1.178 177.105 175.900 0.046 0.000 1.129 666 Y CA 1.026 59.158 58.100 0.054 0.000 1.226 666 Y CB 0.282 38.773 38.460 0.051 0.000 1.000 666 Y HN -0.107 nan 8.280 nan 0.000 0.549 667 Q N 1.768 121.592 119.800 0.040 0.000 2.903 667 Q HA 0.076 4.417 4.340 0.001 0.000 0.295 667 Q C -0.886 175.088 176.000 -0.044 0.000 1.157 667 Q CA 0.237 56.019 55.803 -0.035 0.000 0.930 667 Q CB -0.193 28.569 28.738 0.040 0.000 1.571 667 Q HN 0.411 nan 8.270 nan 0.000 0.440 679 Y N 3.693 124.043 120.300 0.083 0.000 2.915 679 Y HA 0.355 4.906 4.550 0.001 0.000 0.350 679 Y C 0.518 176.486 175.900 0.113 0.000 1.061 679 Y CA -0.616 57.535 58.100 0.085 0.000 1.179 679 Y CB 0.156 38.665 38.460 0.082 0.000 1.180 679 Y HN 0.220 nan 8.280 nan 0.000 0.605 680 T N 0.164 114.783 114.554 0.108 0.000 3.768 680 T HA -0.063 4.288 4.350 0.001 0.000 0.372 680 T C 1.215 175.931 174.700 0.026 0.000 1.243 680 T CA 0.164 62.323 62.100 0.098 0.000 0.944 680 T CB 0.105 69.070 68.868 0.161 0.000 1.883 680 T HN 0.690 nan 8.240 nan 0.000 0.541 681 W N -0.190 121.082 121.300 -0.046 0.000 2.601 681 W HA 0.067 4.728 4.660 0.001 0.000 0.292 681 W C 2.566 179.033 176.519 -0.086 0.000 1.153 681 W CA 0.877 58.176 57.345 -0.077 0.000 1.448 681 W CB -0.670 28.783 29.460 -0.011 0.000 1.113 681 W HN 0.651 nan 8.180 nan 0.000 0.548 682 S N 1.059 116.864 115.700 0.175 0.000 2.421 682 S HA -0.273 4.197 4.470 0.001 0.000 0.239 682 S C 2.051 176.595 174.600 -0.094 0.000 1.054 682 S CA 2.746 60.983 58.200 0.062 0.000 1.035 682 S CB -0.487 62.787 63.200 0.124 0.000 0.840 682 S HN 0.474 nan 8.310 nan 0.000 0.475 683 S N 1.061 116.700 115.700 -0.102 0.000 2.362 683 S HA 0.012 4.483 4.470 0.001 0.000 0.221 683 S C 1.668 176.133 174.600 -0.225 0.000 1.032 683 S CA 1.027 59.176 58.200 -0.084 0.000 0.973 683 S CB -0.758 62.484 63.200 0.070 0.000 0.849 683 S HN 0.404 nan 8.310 nan 0.000 0.465 684 L N 1.181 122.135 121.223 -0.449 0.000 2.351 684 L HA 0.028 4.369 4.340 0.001 0.000 0.220 684 L C 2.260 178.818 176.870 -0.520 0.000 1.127 684 L CA 0.914 55.438 54.840 -0.527 0.000 0.786 684 L CB -1.114 40.520 42.059 -0.709 0.000 0.914 684 L HN 0.340 nan 8.230 nan 0.000 0.443 685 L N -0.518 120.379 121.223 -0.542 0.000 2.062 685 L HA 0.036 4.376 4.340 0.001 0.000 0.202 685 L C 1.866 178.567 176.870 -0.282 0.000 1.079 685 L CA 1.506 56.065 54.840 -0.468 0.000 0.755 685 L CB -0.709 41.045 42.059 -0.508 0.000 0.913 685 L HN 0.227 nan 8.230 nan 0.000 0.445 686 N N 0.712 119.292 118.700 -0.200 0.000 2.627 686 N HA -0.106 4.634 4.740 0.001 0.000 0.196 686 N C 0.304 175.758 175.510 -0.093 0.000 1.268 686 N CA 0.507 53.485 53.050 -0.120 0.000 0.904 686 N CB -0.076 38.370 38.487 -0.068 0.000 1.016 686 N HN 0.588 nan 8.380 nan 0.000 0.448 687 E N -0.283 119.843 120.200 -0.124 0.000 2.869 687 E HA 0.162 4.513 4.350 0.001 0.000 0.207 687 E C -0.091 176.431 176.600 -0.130 0.000 0.986 687 E CA -0.465 55.883 56.400 -0.087 0.000 1.131 687 E CB 0.220 29.894 29.700 -0.042 0.000 1.098 687 E HN 0.193 nan 8.360 nan 0.000 0.459 688 G N 1.706 110.419 108.800 -0.144 0.000 2.266 688 G HA2 -0.252 3.708 3.960 0.001 0.000 0.269 688 G HA3 -0.252 3.708 3.960 0.001 0.000 0.269 688 G C 0.420 175.217 174.900 -0.172 0.000 0.863 688 G CA 0.675 45.688 45.100 -0.144 0.000 1.268 688 G HN 0.415 nan 8.290 nan 0.000 0.426 689 L N -0.913 120.174 121.223 -0.227 0.000 2.885 689 L HA 0.290 4.631 4.340 0.001 0.000 0.251 689 L C 0.373 177.135 176.870 -0.180 0.000 1.071 689 L CA 0.188 54.872 54.840 -0.261 0.000 0.956 689 L CB 0.716 42.539 42.059 -0.393 0.000 1.483 689 L HN 0.229 nan 8.230 nan 0.000 0.525 690 V N -0.232 119.557 119.914 -0.209 0.000 2.888 690 V HA 0.393 4.514 4.120 0.001 0.000 0.309 690 V C -1.055 174.937 176.094 -0.170 0.000 1.114 690 V CA -0.724 61.505 62.300 -0.119 0.000 0.940 690 V CB 2.766 34.448 31.823 -0.235 0.000 1.021 690 V HN 0.042 nan 8.190 nan 0.000 0.426 691 E N 1.411 121.597 120.200 -0.023 0.000 2.312 691 E HA 0.512 4.863 4.350 0.001 0.000 0.267 691 E C -1.634 175.014 176.600 0.081 0.000 0.894 691 E CA -0.815 55.551 56.400 -0.056 0.000 0.773 691 E CB 2.336 32.067 29.700 0.050 0.000 1.241 691 E HN 0.730 nan 8.360 nan 0.000 0.432 692 Y N 2.893 123.166 120.300 -0.046 0.000 2.676 692 Y HA 0.287 4.837 4.550 0.001 0.000 0.338 692 Y C 0.017 175.876 175.900 -0.068 0.000 1.057 692 Y CA -0.718 57.340 58.100 -0.071 0.000 1.314 692 Y CB 0.308 38.543 38.460 -0.375 0.000 1.164 692 Y HN 0.226 nan 8.280 nan 0.000 0.509 693 I N 4.980 125.652 120.570 0.169 0.000 2.322 693 I HA 0.018 4.188 4.170 0.001 0.000 0.292 693 I C 0.440 176.670 176.117 0.188 0.000 1.060 693 I CA -0.502 60.855 61.300 0.096 0.000 1.309 693 I CB 0.275 38.264 38.000 -0.018 0.000 1.415 693 I HN 0.617 nan 8.210 nan 0.000 0.492 694 D N 6.211 126.730 120.400 0.198 0.000 2.376 694 D HA 0.111 4.752 4.640 0.001 0.000 0.268 694 D C 1.048 177.485 176.300 0.228 0.000 1.252 694 D CA -0.383 53.773 54.000 0.260 0.000 1.041 694 D CB 0.826 41.782 40.800 0.260 0.000 1.109 694 D HN 0.444 nan 8.370 nan 0.000 0.552 695 A N -0.746 122.228 122.820 0.256 0.000 1.930 695 A HA -0.124 4.197 4.320 0.001 0.000 0.215 695 A C 2.064 179.826 177.584 0.297 0.000 1.176 695 A CA 1.704 53.915 52.037 0.290 0.000 0.632 695 A CB -0.761 18.459 19.000 0.367 0.000 0.819 695 A HN 0.615 nan 8.150 nan 0.000 0.445 696 E N 0.440 120.791 120.200 0.252 0.000 2.012 696 E HA -0.212 4.138 4.350 0.001 0.000 0.197 696 E C 1.916 178.612 176.600 0.160 0.000 1.007 696 E CA 1.922 58.448 56.400 0.209 0.000 0.816 696 E CB -0.355 29.490 29.700 0.242 0.000 0.762 696 E HN 0.647 nan 8.360 nan 0.000 0.451 697 E N -0.034 120.243 120.200 0.128 0.000 2.118 697 E HA -0.243 4.107 4.350 0.001 0.000 0.195 697 E C 1.879 178.520 176.600 0.068 0.000 0.992 697 E CA 1.116 57.561 56.400 0.074 0.000 0.804 697 E CB -0.135 29.596 29.700 0.050 0.000 0.741 697 E HN 0.363 nan 8.360 nan 0.000 0.458 698 E N 0.279 120.536 120.200 0.094 0.000 2.331 698 E HA -0.229 4.121 4.350 0.001 0.000 0.199 698 E C 1.654 178.297 176.600 0.071 0.000 1.008 698 E CA 0.681 57.125 56.400 0.073 0.000 0.843 698 E CB 0.166 29.936 29.700 0.116 0.000 0.761 698 E HN 0.197 nan 8.360 nan 0.000 0.507 699 E N 0.070 120.334 120.200 0.106 0.000 2.107 699 E HA -0.092 4.258 4.350 0.001 0.000 0.191 699 E C 1.447 178.083 176.600 0.059 0.000 0.982 699 E CA 1.163 57.624 56.400 0.102 0.000 0.809 699 E CB 0.105 29.901 29.700 0.158 0.000 0.756 699 E HN 0.217 nan 8.360 nan 0.000 0.459 700 S N 0.528 116.260 115.700 0.053 0.000 2.519 700 S HA 0.323 4.793 4.470 0.001 0.000 0.245 700 S C 0.596 175.223 174.600 0.045 0.000 1.152 700 S CA -0.633 57.592 58.200 0.042 0.000 1.175 700 S CB -1.056 62.168 63.200 0.040 0.000 0.829 700 S HN 0.248 nan 8.310 nan 0.000 0.472 701 I N -2.880 117.714 120.570 0.040 0.000 3.354 701 I HA 0.847 5.017 4.170 0.001 0.000 0.316 701 I C -1.741 174.400 176.117 0.040 0.000 1.182 701 I CA -1.737 59.604 61.300 0.068 0.000 0.942 701 I CB 1.709 39.746 38.000 0.061 0.000 1.299 701 I HN 0.149 nan 8.210 nan 0.000 0.473 702 L N 2.227 123.494 121.223 0.073 0.000 2.371 702 L HA 0.753 5.094 4.340 0.001 0.000 0.262 702 L C -1.452 175.482 176.870 0.106 0.000 1.006 702 L CA -0.587 54.254 54.840 0.002 0.000 0.818 702 L CB 2.020 44.011 42.059 -0.114 0.000 1.354 702 L HN 0.620 nan 8.230 nan 0.000 0.415 703 I N 2.630 123.256 120.570 0.093 0.000 2.619 703 I HA 0.689 4.860 4.170 0.001 0.000 0.292 703 I C -0.583 175.732 176.117 0.330 0.000 1.100 703 I CA -0.874 60.551 61.300 0.209 0.000 1.043 703 I CB 2.091 40.157 38.000 0.109 0.000 1.239 703 I HN 0.768 nan 8.210 nan 0.000 0.420 704 A N 4.744 127.806 122.820 0.404 0.000 2.306 704 A HA 0.627 4.947 4.320 0.001 0.000 0.314 704 A C 0.286 177.948 177.584 0.130 0.000 1.164 704 A CA -0.425 51.794 52.037 0.302 0.000 0.822 704 A CB 1.322 20.298 19.000 -0.040 0.000 1.130 704 A HN 0.775 nan 8.150 nan 0.000 0.496 705 M N 1.002 120.647 119.600 0.075 0.000 2.165 705 M HA 0.059 4.539 4.480 0.001 0.000 0.246 705 M C 1.000 177.304 176.300 0.006 0.000 1.180 705 M CA 1.667 56.980 55.300 0.022 0.000 1.095 705 M CB -0.716 31.871 32.600 -0.022 0.000 1.151 705 M HN 0.773 nan 8.290 nan 0.000 0.447 706 Q N 1.173 120.965 119.800 -0.013 0.000 2.373 706 Q HA 0.100 4.440 4.340 0.001 0.000 0.255 706 Q C -1.787 174.214 176.000 0.001 0.000 0.980 706 Q CA -1.298 54.508 55.803 0.004 0.000 0.882 706 Q CB 0.185 28.925 28.738 0.004 0.000 1.249 706 Q HN 0.313 nan 8.270 nan 0.000 0.438 707 P HA -0.254 nan 4.420 nan 0.000 0.212 707 P C 0.087 177.364 177.300 -0.039 0.000 1.180 707 P CA 1.532 64.655 63.100 0.038 0.000 0.906 707 P CB 0.134 31.892 31.700 0.098 0.000 0.782 708 E N -0.103 120.079 120.200 -0.029 0.000 4.428 708 E HA -0.117 4.234 4.350 0.001 0.000 0.575 708 E C 1.097 177.624 176.600 -0.121 0.000 0.701 708 E CA -0.162 56.201 56.400 -0.062 0.000 3.828 708 E CB -1.009 28.672 29.700 -0.030 0.000 2.242 708 E HN -0.009 nan 8.360 nan 0.000 0.355 709 D N 0.100 120.425 120.400 -0.126 0.000 4.723 709 D HA -0.279 4.362 4.640 0.001 0.000 0.328 709 D C 1.486 177.572 176.300 -0.358 0.000 1.704 709 D CA 2.475 56.365 54.000 -0.183 0.000 1.182 709 D CB -0.858 39.893 40.800 -0.082 0.000 0.596 709 D HN 0.378 nan 8.370 nan 0.000 1.041 710 L N 0.745 121.810 121.223 -0.264 0.000 2.718 710 L HA 0.035 4.375 4.340 0.001 0.000 0.242 710 L C 1.665 178.279 176.870 -0.426 0.000 1.203 710 L CA 0.262 54.934 54.840 -0.281 0.000 1.011 710 L CB -0.049 41.902 42.059 -0.180 0.000 1.250 710 L HN 0.049 nan 8.230 nan 0.000 0.437 711 E N -0.471 119.478 120.200 -0.419 0.000 3.249 711 E HA 0.210 4.561 4.350 0.001 0.000 0.184 711 E C -1.496 175.007 176.600 -0.161 0.000 1.163 711 E CA -0.067 56.194 56.400 -0.233 0.000 1.353 711 E CB -0.922 28.707 29.700 -0.118 0.000 1.466 711 E HN 0.196 nan 8.360 nan 0.000 0.502 712 P HA 0.014 nan 4.420 nan 0.000 0.276 712 P C 0.116 177.307 177.300 -0.183 0.000 1.264 712 P CA 0.311 63.284 63.100 -0.212 0.000 0.815 712 P CB 0.541 32.156 31.700 -0.142 0.000 1.121 713 A N -0.271 122.475 122.820 -0.123 0.000 3.037 713 A HA 0.238 4.559 4.320 0.001 0.000 0.192 713 A C 0.274 177.919 177.584 0.103 0.000 2.048 713 A CA 0.141 52.176 52.037 -0.002 0.000 0.928 713 A CB -0.414 18.557 19.000 -0.048 0.000 1.895 713 A HN 0.659 nan 8.150 nan 0.000 0.777 714 E N -1.612 118.628 120.200 0.066 0.000 2.646 714 E HA 0.483 4.834 4.350 0.001 0.000 0.336 714 E C -0.670 175.952 176.600 0.036 0.000 1.027 714 E CA -0.312 56.130 56.400 0.070 0.000 0.765 714 E CB 0.760 30.510 29.700 0.083 0.000 1.545 714 E HN 0.870 nan 8.360 nan 0.000 0.382 723 V N 2.733 122.664 119.914 0.029 0.000 2.775 723 V HA 0.171 4.291 4.120 0.001 0.000 0.299 723 V C 0.454 176.568 176.094 0.032 0.000 1.062 723 V CA -0.163 62.156 62.300 0.032 0.000 1.063 723 V CB 1.018 32.862 31.823 0.035 0.000 0.994 723 V HN 0.276 nan 8.190 nan 0.000 0.483 724 D N 5.323 125.745 120.400 0.036 0.000 2.487 724 D HA 0.068 4.709 4.640 0.001 0.000 0.243 724 D C -1.317 175.004 176.300 0.035 0.000 1.154 724 D CA -0.712 53.310 54.000 0.037 0.000 0.876 724 D CB 1.580 42.407 40.800 0.044 0.000 1.161 724 D HN 0.438 nan 8.370 nan 0.000 0.478 725 P HA 0.130 nan 4.420 nan 0.000 0.257 725 P C 0.135 177.453 177.300 0.029 0.000 1.281 725 P CA 0.068 63.184 63.100 0.028 0.000 0.826 725 P CB 0.694 32.407 31.700 0.022 0.000 1.237 726 A N -0.252 122.589 122.820 0.034 0.000 2.026 726 A HA 0.173 4.493 4.320 0.001 0.000 0.198 726 A C 1.365 178.977 177.584 0.047 0.000 1.390 726 A CA 0.236 52.294 52.037 0.035 0.000 0.915 726 A CB 0.005 19.024 19.000 0.032 0.000 0.974 726 A HN 0.039 nan 8.150 nan 0.000 0.477 727 K N 0.650 121.084 120.400 0.056 0.000 2.343 727 K HA 0.143 4.463 4.320 0.001 0.000 0.250 727 K C 1.065 177.708 176.600 0.072 0.000 1.087 727 K CA 0.170 56.501 56.287 0.073 0.000 0.853 727 K CB 0.118 32.664 32.500 0.076 0.000 1.133 727 K HN 0.549 nan 8.250 nan 0.000 0.509 728 R N 0.102 120.652 120.500 0.082 0.000 1.664 728 R HA 0.372 4.712 4.340 0.001 0.000 0.112 728 R C 0.085 176.421 176.300 0.060 0.000 0.720 728 R CA -0.295 55.850 56.100 0.075 0.000 1.864 728 R CB -0.046 30.305 30.300 0.085 0.000 1.040 728 R HN 0.418 nan 8.270 nan 0.000 0.700 729 I N 1.193 121.796 120.570 0.055 0.000 2.605 729 I HA 0.288 4.459 4.170 0.001 0.000 0.276 729 I C -0.886 175.257 176.117 0.043 0.000 1.161 729 I CA -0.459 60.869 61.300 0.047 0.000 1.064 729 I CB 1.791 39.816 38.000 0.041 0.000 1.238 729 I HN 0.486 nan 8.210 nan 0.000 0.487 730 R N 3.301 123.827 120.500 0.043 0.000 2.349 730 R HA 0.467 4.808 4.340 0.001 0.000 0.299 730 R C 0.829 177.151 176.300 0.037 0.000 1.027 730 R CA -0.516 55.606 56.100 0.036 0.000 0.958 730 R CB 2.000 32.320 30.300 0.034 0.000 1.047 730 R HN 0.290 nan 8.270 nan 0.000 0.468 731 V N 1.254 121.189 119.914 0.034 0.000 2.282 731 V HA -0.189 3.931 4.120 0.001 0.000 0.200 731 V C 0.734 176.839 176.094 0.018 0.000 0.922 731 V CA 1.238 63.562 62.300 0.040 0.000 1.045 731 V CB -0.255 31.595 31.823 0.044 0.000 0.673 731 V HN 0.830 nan 8.190 nan 0.000 0.483 732 S N -1.879 113.813 115.700 -0.013 0.000 2.755 732 S HA 0.386 4.857 4.470 0.001 0.000 0.286 732 S C -0.767 173.812 174.600 -0.036 0.000 1.207 732 S CA -0.174 57.950 58.200 -0.128 0.000 0.892 732 S CB 1.138 63.944 63.200 -0.658 0.000 1.240 732 S HN 0.814 nan 8.310 nan 0.000 0.525 733 H N 0.548 119.481 119.070 -0.229 0.000 2.502 733 H HA 0.352 4.908 4.556 0.001 0.000 0.268 733 H C -0.611 174.753 175.328 0.061 0.000 1.177 733 H CA -0.402 55.653 56.048 0.012 0.000 0.961 733 H CB -0.899 28.837 29.762 -0.043 0.000 1.737 733 H HN 0.474 nan 8.280 nan 0.000 0.569 734 H N 1.687 120.770 119.070 0.023 0.000 4.313 734 H HA 0.511 5.067 4.556 0.001 0.000 0.194 734 H C 0.298 175.649 175.328 0.038 0.000 1.339 734 H CA 0.684 56.719 56.048 -0.022 0.000 1.317 734 H CB -0.644 29.090 29.762 -0.048 0.000 1.521 734 H HN 0.744 nan 8.280 nan 0.000 0.809 735 A N -0.590 122.367 122.820 0.227 0.000 2.522 735 A HA 0.459 4.779 4.320 0.001 0.000 0.291 735 A C 0.043 177.843 177.584 0.359 0.000 1.039 735 A CA -0.628 51.491 52.037 0.138 0.000 0.643 735 A CB 0.735 19.656 19.000 -0.132 0.000 1.310 735 A HN 0.175 nan 8.150 nan 0.000 0.436 736 T N 0.646 115.339 114.554 0.231 0.000 3.641 736 T HA 0.195 4.545 4.350 0.001 0.000 0.313 736 T C 0.474 175.324 174.700 0.252 0.000 0.952 736 T CA 0.691 63.014 62.100 0.371 0.000 1.004 736 T CB -0.225 68.794 68.868 0.251 0.000 1.209 736 T HN 0.893 nan 8.240 nan 0.000 0.493 737 T N -0.109 114.484 114.554 0.066 0.000 3.105 737 T HA 0.311 4.661 4.350 0.001 0.000 0.253 737 T C 0.431 175.145 174.700 0.024 0.000 1.047 737 T CA -0.435 61.671 62.100 0.009 0.000 0.944 737 T CB -0.563 68.263 68.868 -0.070 0.000 1.016 737 T HN 0.263 nan 8.240 nan 0.000 0.544 738 F N 3.952 123.928 119.950 0.043 0.000 2.539 738 F HA 0.117 4.644 4.527 0.001 0.000 0.393 738 F C 2.027 177.838 175.800 0.018 0.000 1.032 738 F CA -0.160 57.867 58.000 0.046 0.000 1.120 738 F CB -0.193 38.837 39.000 0.050 0.000 1.014 738 F HN 0.175 nan 8.300 nan 0.000 0.546 739 T N -0.888 113.773 114.554 0.180 0.000 3.009 739 T HA 0.095 4.445 4.350 0.001 0.000 0.258 739 T C 0.338 174.894 174.700 -0.240 0.000 1.063 739 T CA 0.711 62.812 62.100 0.003 0.000 1.139 739 T CB -0.215 68.710 68.868 0.095 0.000 0.890 739 T HN 0.536 nan 8.240 nan 0.000 0.471 740 H N -1.094 118.066 119.070 0.150 0.000 2.931 740 H HA 0.788 5.344 4.556 0.001 0.000 0.331 740 H C -1.119 174.317 175.328 0.181 0.000 1.273 740 H CA -1.093 55.044 56.048 0.148 0.000 1.171 740 H CB 1.568 31.404 29.762 0.124 0.000 1.898 740 H HN 0.320 nan 8.280 nan 0.000 0.562 741 C N 0.513 120.006 119.300 0.322 0.000 3.082 741 C HA 0.415 4.876 4.460 0.001 0.000 0.324 741 C C -0.883 174.191 174.990 0.140 0.000 1.210 741 C CA -0.504 58.654 59.018 0.233 0.000 1.366 741 C CB 1.159 29.037 27.740 0.230 0.000 1.756 741 C HN 0.907 nan 8.230 nan 0.000 0.485 742 E N 3.152 123.398 120.200 0.075 0.000 2.299 742 E HA 0.233 4.584 4.350 0.001 0.000 0.272 742 E C 1.358 177.844 176.600 -0.189 0.000 1.043 742 E CA -0.187 56.204 56.400 -0.016 0.000 0.895 742 E CB 0.411 30.146 29.700 0.059 0.000 1.011 742 E HN 0.467 nan 8.360 nan 0.000 0.432 743 I N 2.587 122.920 120.570 -0.396 0.000 2.087 743 I HA -0.226 3.945 4.170 0.001 0.000 0.240 743 I C 0.803 176.786 176.117 -0.223 0.000 1.054 743 I CA 1.763 62.711 61.300 -0.586 0.000 1.311 743 I CB -1.274 36.493 38.000 -0.388 0.000 1.024 743 I HN 0.600 nan 8.210 nan 0.000 0.402 744 H N -0.005 118.915 119.070 -0.251 0.000 3.140 744 H HA 0.227 4.783 4.556 0.001 0.000 0.336 744 H C -2.119 173.175 175.328 -0.057 0.000 1.142 744 H CA -1.051 54.871 56.048 -0.211 0.000 1.308 744 H CB 1.867 31.352 29.762 -0.462 0.000 1.970 744 H HN -0.273 nan 8.280 nan 0.000 0.521 745 P HA -0.177 nan 4.420 nan 0.000 0.218 745 P C 1.114 178.451 177.300 0.062 0.000 1.148 745 P CA 1.776 64.755 63.100 -0.202 0.000 0.822 745 P CB 0.152 31.554 31.700 -0.496 0.000 0.784 746 S N -1.345 114.436 115.700 0.134 0.000 2.520 746 S HA -0.097 4.373 4.470 0.001 0.000 0.249 746 S C 1.618 176.326 174.600 0.180 0.000 0.983 746 S CA 0.849 59.232 58.200 0.306 0.000 0.958 746 S CB -1.033 62.483 63.200 0.526 0.000 0.750 746 S HN -0.028 nan 8.310 nan 0.000 0.527 747 M N 1.460 121.117 119.600 0.096 0.000 2.561 747 M HA 0.345 4.826 4.480 0.001 0.000 0.238 747 M C 1.482 177.727 176.300 -0.091 0.000 1.131 747 M CA -0.004 55.319 55.300 0.037 0.000 1.046 747 M CB -1.016 31.614 32.600 0.050 0.000 1.532 747 M HN 0.575 nan 8.290 nan 0.000 0.497 748 I N -2.225 118.228 120.570 -0.195 0.000 3.428 748 I HA 0.046 4.216 4.170 0.001 0.000 0.286 748 I C 0.561 176.539 176.117 -0.231 0.000 1.287 748 I CA 0.161 61.230 61.300 -0.386 0.000 1.396 748 I CB -0.358 37.188 38.000 -0.757 0.000 1.062 748 I HN -0.017 nan 8.210 nan 0.000 0.471 749 L N 1.452 122.600 121.223 -0.124 0.000 2.416 749 L HA 0.681 5.022 4.340 0.001 0.000 0.262 749 L C 0.615 177.434 176.870 -0.085 0.000 1.093 749 L CA -0.561 54.220 54.840 -0.098 0.000 0.801 749 L CB 1.070 43.085 42.059 -0.074 0.000 1.191 749 L HN 0.106 nan 8.230 nan 0.000 0.459 750 G N -0.478 108.268 108.800 -0.091 0.000 2.489 750 G HA2 0.459 4.420 3.960 0.001 0.000 0.327 750 G HA3 0.459 4.420 3.960 0.001 0.000 0.327 750 G C 0.860 175.704 174.900 -0.093 0.000 1.189 750 G CA -0.586 44.462 45.100 -0.088 0.000 0.962 750 G HN 0.434 nan 8.290 nan 0.000 0.486 751 V N 1.193 121.048 119.914 -0.098 0.000 2.279 751 V HA -0.421 3.699 4.120 0.001 0.000 0.258 751 V C 3.235 179.262 176.094 -0.112 0.000 1.078 751 V CA 3.273 65.508 62.300 -0.108 0.000 1.096 751 V CB -1.674 30.085 31.823 -0.107 0.000 0.740 751 V HN 0.971 nan 8.190 nan 0.000 0.465 752 A N 0.268 123.027 122.820 -0.100 0.000 1.829 752 A HA -0.122 4.198 4.320 0.001 0.000 0.216 752 A C 2.503 180.015 177.584 -0.119 0.000 1.207 752 A CA 3.280 55.257 52.037 -0.100 0.000 0.622 752 A CB -1.420 17.533 19.000 -0.079 0.000 0.846 752 A HN 0.981 nan 8.150 nan 0.000 0.447 753 A N -0.505 122.254 122.820 -0.103 0.000 1.940 753 A HA -0.211 4.109 4.320 0.001 0.000 0.221 753 A C 2.326 179.831 177.584 -0.131 0.000 1.190 753 A CA 2.580 54.553 52.037 -0.107 0.000 0.647 753 A CB -1.262 17.683 19.000 -0.091 0.000 0.821 753 A HN 0.630 nan 8.150 nan 0.000 0.457 754 S N -0.384 115.238 115.700 -0.129 0.000 2.462 754 S HA -0.133 4.338 4.470 0.001 0.000 0.243 754 S C 1.409 175.888 174.600 -0.202 0.000 1.003 754 S CA 1.561 59.682 58.200 -0.132 0.000 0.970 754 S CB -0.522 62.614 63.200 -0.107 0.000 0.762 754 S HN 0.644 nan 8.310 nan 0.000 0.510 755 I N 0.535 120.949 120.570 -0.261 0.000 3.860 755 I HA 0.185 4.356 4.170 0.001 0.000 0.319 755 I C 0.066 176.008 176.117 -0.291 0.000 1.279 755 I CA 0.193 61.262 61.300 -0.385 0.000 1.220 755 I CB -0.062 37.628 38.000 -0.516 0.000 1.027 755 I HN 0.126 nan 8.210 nan 0.000 0.428 756 I N 4.986 125.422 120.570 -0.223 0.000 2.379 756 I HA 0.171 4.341 4.170 0.001 0.000 0.290 756 I C -2.057 173.952 176.117 -0.180 0.000 1.063 756 I CA -1.807 59.371 61.300 -0.204 0.000 1.351 756 I CB 0.283 38.195 38.000 -0.148 0.000 1.410 756 I HN -0.177 nan 8.210 nan 0.000 0.505 757 P HA 0.058 nan 4.420 nan 0.000 0.271 757 P C -0.169 177.121 177.300 -0.016 0.000 1.220 757 P CA -0.002 62.956 63.100 -0.237 0.000 0.768 757 P CB 0.334 31.928 31.700 -0.178 0.000 0.848 758 F N 1.521 121.530 119.950 0.098 0.000 3.027 758 F HA -0.165 4.363 4.527 0.001 0.000 0.276 758 F C -0.805 175.057 175.800 0.102 0.000 0.967 758 F CA -0.326 57.778 58.000 0.174 0.000 0.929 758 F CB -1.793 37.408 39.000 0.335 0.000 0.873 758 F HN 0.369 nan 8.300 nan 0.000 0.787 759 P HA -0.172 nan 4.420 nan 0.000 0.229 759 P C 0.760 178.037 177.300 -0.038 0.000 1.150 759 P CA 1.802 64.905 63.100 0.005 0.000 0.765 759 P CB 0.000 31.640 31.700 -0.101 0.000 0.783 760 D N -2.108 118.233 120.400 -0.098 0.000 2.358 760 D HA -0.042 4.598 4.640 0.001 0.000 0.224 760 D C 0.693 176.807 176.300 -0.310 0.000 1.123 760 D CA -0.067 53.815 54.000 -0.197 0.000 0.833 760 D CB -0.670 39.974 40.800 -0.260 0.000 0.946 760 D HN 0.285 nan 8.370 nan 0.000 0.505 761 H N -0.145 118.977 119.070 0.086 0.000 2.916 761 H HA 0.285 4.841 4.556 0.001 0.000 0.262 761 H C -0.285 175.068 175.328 0.042 0.000 1.178 761 H CA -0.383 55.699 56.048 0.056 0.000 1.090 761 H CB 0.658 30.445 29.762 0.042 0.000 1.657 761 H HN 0.055 nan 8.280 nan 0.000 0.601 762 N N 1.115 119.891 118.700 0.126 0.000 2.265 762 N HA 0.068 4.809 4.740 0.001 0.000 0.300 762 N C -0.167 175.365 175.510 0.037 0.000 1.148 762 N CA -0.553 52.548 53.050 0.085 0.000 0.772 762 N CB 2.397 40.955 38.487 0.119 0.000 1.434 762 N HN 0.188 nan 8.380 nan 0.000 0.481 763 Q N 0.813 120.619 119.800 0.010 0.000 2.239 763 Q HA -0.025 4.316 4.340 0.001 0.000 0.286 763 Q C 1.085 177.070 176.000 -0.027 0.000 1.102 763 Q CA 0.323 56.117 55.803 -0.015 0.000 0.936 763 Q CB 0.453 29.167 28.738 -0.039 0.000 1.127 763 Q HN 0.680 nan 8.270 nan 0.000 0.380 764 S N 5.193 120.885 115.700 -0.013 0.000 2.461 764 S HA -0.198 4.272 4.470 0.001 0.000 0.266 764 S C -0.826 173.751 174.600 -0.037 0.000 1.138 764 S CA 2.106 60.298 58.200 -0.013 0.000 1.146 764 S CB -0.685 62.514 63.200 -0.002 0.000 1.042 764 S HN 0.830 nan 8.310 nan 0.000 0.448 765 P HA -0.067 nan 4.420 nan 0.000 0.219 765 P C 1.263 178.411 177.300 -0.254 0.000 1.150 765 P CA 0.887 63.910 63.100 -0.128 0.000 0.814 765 P CB -0.203 31.410 31.700 -0.145 0.000 0.787 766 R N 0.247 120.601 120.500 -0.243 0.000 2.117 766 R HA -0.089 4.252 4.340 0.001 0.000 0.243 766 R C 1.966 178.216 176.300 -0.084 0.000 1.143 766 R CA 0.999 56.955 56.100 -0.241 0.000 0.968 766 R CB -1.337 28.909 30.300 -0.089 0.000 0.863 766 R HN 0.338 nan 8.270 nan 0.000 0.444 767 N N -0.113 118.568 118.700 -0.031 0.000 2.244 767 N HA -0.084 4.656 4.740 0.001 0.000 0.183 767 N C 1.482 177.007 175.510 0.025 0.000 1.016 767 N CA 1.426 54.478 53.050 0.004 0.000 0.866 767 N CB -0.241 38.243 38.487 -0.005 0.000 0.980 767 N HN 0.219 nan 8.380 nan 0.000 0.430 768 T N 0.463 115.041 114.554 0.040 0.000 2.915 768 T HA -0.062 4.289 4.350 0.001 0.000 0.269 768 T C 1.723 176.564 174.700 0.235 0.000 1.071 768 T CA 0.863 63.028 62.100 0.107 0.000 1.132 768 T CB -0.253 68.687 68.868 0.121 0.000 0.878 768 T HN 0.389 nan 8.240 nan 0.000 0.479 769 Y N 0.981 121.274 120.300 -0.013 0.000 2.130 769 Y HA -0.132 4.419 4.550 0.001 0.000 0.287 769 Y C 3.018 178.904 175.900 -0.023 0.000 1.124 769 Y CA 0.471 58.564 58.100 -0.012 0.000 1.118 769 Y CB -0.206 38.257 38.460 0.005 0.000 0.994 769 Y HN 0.083 nan 8.280 nan 0.000 0.497 770 Q N 0.736 120.628 119.800 0.154 0.000 2.268 770 Q HA -0.164 4.176 4.340 0.001 0.000 0.210 770 Q C 1.646 177.648 176.000 0.002 0.000 0.988 770 Q CA 1.744 57.571 55.803 0.040 0.000 0.883 770 Q CB -0.390 28.334 28.738 -0.023 0.000 0.911 770 Q HN 0.151 nan 8.270 nan 0.000 0.430 771 S N -1.174 114.535 115.700 0.014 0.000 2.650 771 S HA 0.312 4.783 4.470 0.001 0.000 0.219 771 S C 0.900 175.486 174.600 -0.022 0.000 0.960 771 S CA 0.389 58.578 58.200 -0.018 0.000 0.925 771 S CB 0.276 63.464 63.200 -0.020 0.000 0.775 771 S HN 0.515 nan 8.310 nan 0.000 0.525 772 A N 0.177 122.989 122.820 -0.013 0.000 2.242 772 A HA 0.415 4.735 4.320 0.001 0.000 0.205 772 A C 1.540 179.099 177.584 -0.041 0.000 1.353 772 A CA -0.150 51.864 52.037 -0.039 0.000 1.005 772 A CB 0.021 18.986 19.000 -0.058 0.000 1.127 772 A HN 0.417 nan 8.150 nan 0.000 0.498 773 M N -0.182 119.402 119.600 -0.026 0.000 2.514 773 M HA 0.093 4.574 4.480 0.001 0.000 0.258 773 M C 1.998 178.281 176.300 -0.028 0.000 1.119 773 M CA 0.947 56.227 55.300 -0.033 0.000 1.111 773 M CB -0.045 32.548 32.600 -0.013 0.000 1.390 773 M HN 0.450 nan 8.290 nan 0.000 0.475 774 G N 1.409 110.198 108.800 -0.019 0.000 2.470 774 G HA2 -0.164 3.797 3.960 0.001 0.000 0.220 774 G HA3 -0.164 3.797 3.960 0.001 0.000 0.220 774 G C 1.419 176.330 174.900 0.018 0.000 1.121 774 G CA 0.504 45.603 45.100 -0.001 0.000 0.766 774 G HN 0.432 nan 8.290 nan 0.000 0.553 775 K N -0.088 120.315 120.400 0.005 0.000 2.476 775 K HA 0.162 4.482 4.320 0.001 0.000 0.196 775 K C 1.157 177.805 176.600 0.080 0.000 1.025 775 K CA 0.170 56.486 56.287 0.050 0.000 1.138 775 K CB 0.376 32.879 32.500 0.006 0.000 0.860 775 K HN 0.337 nan 8.250 nan 0.000 0.515 776 Q N -0.508 119.275 119.800 -0.028 0.000 2.073 776 Q HA 0.233 4.574 4.340 0.001 0.000 0.215 776 Q C -0.152 175.752 176.000 -0.160 0.000 0.776 776 Q CA -0.325 55.382 55.803 -0.159 0.000 1.008 776 Q CB 1.446 30.048 28.738 -0.227 0.000 1.196 776 Q HN 0.182 nan 8.270 nan 0.000 0.458 777 A N 0.934 123.716 122.820 -0.063 0.000 2.240 777 A HA 0.703 5.023 4.320 0.001 0.000 0.292 777 A C -0.198 177.374 177.584 -0.020 0.000 1.121 777 A CA -0.201 51.809 52.037 -0.046 0.000 0.851 777 A CB 0.609 19.612 19.000 0.004 0.000 1.167 777 A HN 0.194 nan 8.150 nan 0.000 0.503 778 M N -0.847 118.756 119.600 0.005 0.000 2.598 778 M HA 0.590 5.070 4.480 0.001 0.000 0.317 778 M C 0.538 176.878 176.300 0.067 0.000 1.179 778 M CA 0.207 55.527 55.300 0.033 0.000 0.936 778 M CB 2.405 35.015 32.600 0.018 0.000 1.713 778 M HN 1.039 nan 8.290 nan 0.000 0.460 779 G N 0.698 109.536 108.800 0.063 0.000 2.649 779 G HA2 0.404 4.364 3.960 0.001 0.000 0.078 779 G HA3 0.404 4.364 3.960 0.001 0.000 0.078 779 G C -1.644 173.243 174.900 -0.021 0.000 1.110 779 G CA -0.257 44.862 45.100 0.031 0.000 1.269 779 G HN 0.733 nan 8.290 nan 0.000 0.581 780 V N -0.057 119.826 119.914 -0.051 0.000 2.439 780 V HA 0.499 4.619 4.120 0.001 0.000 0.277 780 V C 0.743 176.774 176.094 -0.104 0.000 1.008 780 V CA -0.275 61.931 62.300 -0.157 0.000 0.846 780 V CB 0.205 31.935 31.823 -0.155 0.000 1.031 780 V HN 1.090 nan 8.190 nan 0.000 0.441 781 F N 3.091 123.068 119.950 0.044 0.000 2.365 781 F HA 0.475 5.003 4.527 0.001 0.000 0.300 781 F C 0.288 176.182 175.800 0.156 0.000 1.090 781 F CA 0.490 58.557 58.000 0.111 0.000 1.408 781 F CB -0.254 38.790 39.000 0.074 0.000 1.060 781 F HN 0.320 nan 8.300 nan 0.000 0.534 782 L N -0.907 120.221 121.223 -0.158 0.000 2.940 782 L HA 0.192 4.533 4.340 0.001 0.000 0.270 782 L C 0.776 177.525 176.870 -0.203 0.000 1.030 782 L CA -0.029 54.785 54.840 -0.043 0.000 0.928 782 L CB 1.938 44.086 42.059 0.149 0.000 1.506 782 L HN -0.001 nan 8.230 nan 0.000 0.405 783 T N -3.973 110.501 114.554 -0.133 0.000 3.044 783 T HA -0.018 4.332 4.350 0.001 0.000 0.250 783 T C 0.921 175.433 174.700 -0.313 0.000 1.081 783 T CA 0.418 62.402 62.100 -0.194 0.000 1.040 783 T CB -0.251 68.543 68.868 -0.123 0.000 0.962 783 T HN 0.653 nan 8.240 nan 0.000 0.506 784 N N 1.510 120.072 118.700 -0.230 0.000 2.421 784 N HA -0.062 4.679 4.740 0.001 0.000 0.201 784 N C 1.441 176.834 175.510 -0.195 0.000 1.198 784 N CA 0.034 52.946 53.050 -0.229 0.000 0.838 784 N CB -0.710 37.695 38.487 -0.137 0.000 1.011 784 N HN 0.680 nan 8.380 nan 0.000 0.463 785 Y N 0.815 120.962 120.300 -0.255 0.000 2.241 785 Y HA -0.114 4.437 4.550 0.001 0.000 0.286 785 Y C 1.701 177.463 175.900 -0.231 0.000 1.166 785 Y CA 1.231 59.147 58.100 -0.307 0.000 1.203 785 Y CB -1.334 36.770 38.460 -0.594 0.000 0.977 785 Y HN 0.010 nan 8.280 nan 0.000 0.529 786 N N 0.217 118.616 118.700 -0.503 0.000 2.519 786 N HA -0.080 4.661 4.740 0.001 0.000 0.186 786 N C 0.585 176.057 175.510 -0.064 0.000 1.062 786 N CA 1.245 54.155 53.050 -0.234 0.000 0.910 786 N CB -0.026 38.225 38.487 -0.394 0.000 0.958 786 N HN 0.371 nan 8.380 nan 0.000 0.445 787 V N -0.807 119.066 119.914 -0.068 0.000 3.253 787 V HA 0.297 4.418 4.120 0.001 0.000 0.320 787 V C 0.258 176.370 176.094 0.030 0.000 1.442 787 V CA -0.205 62.085 62.300 -0.016 0.000 1.097 787 V CB -0.061 31.735 31.823 -0.046 0.000 1.008 787 V HN 0.070 nan 8.190 nan 0.000 0.463 788 R N 0.826 121.364 120.500 0.063 0.000 2.407 788 R HA 0.598 4.939 4.340 0.001 0.000 0.303 788 R C -0.419 175.946 176.300 0.109 0.000 0.981 788 R CA -0.573 55.586 56.100 0.097 0.000 0.905 788 R CB 1.453 31.846 30.300 0.155 0.000 1.099 788 R HN 0.078 nan 8.270 nan 0.000 0.459 789 M N 3.683 123.340 119.600 0.096 0.000 3.234 789 M HA 0.147 4.627 4.480 0.001 0.000 0.211 789 M C -1.149 175.197 176.300 0.077 0.000 1.149 789 M CA -0.926 54.429 55.300 0.091 0.000 1.050 789 M CB -0.138 32.509 32.600 0.078 0.000 1.281 789 M HN 0.515 nan 8.290 nan 0.000 0.574 790 D N 0.147 120.593 120.400 0.076 0.000 2.193 790 D HA 0.308 4.948 4.640 0.001 0.000 0.244 790 D C 0.030 176.346 176.300 0.027 0.000 1.064 790 D CA -0.486 53.536 54.000 0.037 0.000 0.845 790 D CB 0.630 41.431 40.800 0.002 0.000 1.148 790 D HN 0.237 nan 8.370 nan 0.000 0.464 791 T N 0.544 115.096 114.554 -0.003 0.000 2.758 791 T HA 0.203 4.554 4.350 0.001 0.000 0.281 791 T C 0.852 175.553 174.700 0.002 0.000 0.963 791 T CA -0.652 61.429 62.100 -0.033 0.000 1.201 791 T CB -0.423 68.414 68.868 -0.052 0.000 0.906 791 T HN 0.674 nan 8.240 nan 0.000 0.528 792 M N 1.551 121.174 119.600 0.038 0.000 4.047 792 M HA -0.023 4.458 4.480 0.001 0.000 0.157 792 M C -0.657 175.739 176.300 0.160 0.000 1.532 792 M CA 0.941 56.343 55.300 0.170 0.000 1.097 792 M CB -0.995 31.702 32.600 0.161 0.000 1.346 792 M HN 1.598 nan 8.290 nan 0.000 0.190 793 A N 4.461 127.452 122.820 0.285 0.000 2.594 793 A HA 0.672 4.993 4.320 0.001 0.000 0.301 793 A C -1.659 176.116 177.584 0.318 0.000 1.022 793 A CA -0.885 51.291 52.037 0.232 0.000 0.738 793 A CB 1.198 20.354 19.000 0.259 0.000 1.263 793 A HN 0.775 nan 8.150 nan 0.000 0.409 794 N N 0.642 119.468 118.700 0.210 0.000 2.321 794 N HA 0.678 5.418 4.740 0.001 0.000 0.299 794 N C -1.552 174.001 175.510 0.071 0.000 1.048 794 N CA -0.302 52.837 53.050 0.148 0.000 0.836 794 N CB 1.962 40.457 38.487 0.013 0.000 1.269 794 N HN 0.466 nan 8.380 nan 0.000 0.486 795 I N 2.110 122.678 120.570 -0.003 0.000 2.436 795 I HA 0.226 4.396 4.170 0.001 0.000 0.289 795 I C -0.565 175.566 176.117 0.024 0.000 1.010 795 I CA -0.811 60.410 61.300 -0.131 0.000 1.098 795 I CB 1.592 39.274 38.000 -0.529 0.000 1.266 795 I HN 0.334 nan 8.210 nan 0.000 0.434 796 L N 7.748 129.003 121.223 0.052 0.000 2.410 796 L HA 0.172 4.512 4.340 0.001 0.000 0.273 796 L C 0.588 177.577 176.870 0.199 0.000 1.144 796 L CA 0.568 55.489 54.840 0.135 0.000 0.863 796 L CB -0.015 42.121 42.059 0.129 0.000 1.140 796 L HN 0.530 nan 8.230 nan 0.000 0.463 797 Y N 5.182 125.487 120.300 0.008 0.000 1.977 797 Y HA -0.254 4.297 4.550 0.001 0.000 0.264 797 Y C 0.535 176.594 175.900 0.265 0.000 1.167 797 Y CA 1.987 60.086 58.100 -0.002 0.000 1.102 797 Y CB -0.561 37.702 38.460 -0.328 0.000 0.948 797 Y HN 0.521 nan 8.280 nan 0.000 0.489 798 Y N 0.838 121.254 120.300 0.194 0.000 2.721 798 Y HA 0.291 4.842 4.550 0.001 0.000 0.328 798 Y C -2.110 173.807 175.900 0.029 0.000 1.003 798 Y CA -2.994 55.151 58.100 0.075 0.000 1.275 798 Y CB 0.411 38.903 38.460 0.054 0.000 1.097 798 Y HN 0.022 nan 8.280 nan 0.000 0.514 799 P HA 0.085 nan 4.420 nan 0.000 0.272 799 P C -0.874 176.456 177.300 0.051 0.000 1.254 799 P CA -0.081 63.066 63.100 0.078 0.000 0.795 799 P CB 0.658 32.363 31.700 0.008 0.000 1.022 800 Q N -0.370 119.454 119.800 0.039 0.000 2.418 800 Q HA 0.127 4.467 4.340 0.001 0.000 0.240 800 Q C -0.930 175.015 176.000 -0.092 0.000 0.859 800 Q CA -0.730 55.072 55.803 -0.001 0.000 0.916 800 Q CB 1.617 30.387 28.738 0.052 0.000 1.448 800 Q HN 0.398 nan 8.270 nan 0.000 0.439 801 K N 2.295 122.600 120.400 -0.158 0.000 2.451 801 K HA 0.278 4.599 4.320 0.001 0.000 0.280 801 K C -2.231 174.183 176.600 -0.309 0.000 1.020 801 K CA -1.047 55.101 56.287 -0.231 0.000 1.008 801 K CB 0.166 32.567 32.500 -0.164 0.000 0.917 801 K HN 0.113 nan 8.250 nan 0.000 0.478 802 P HA -0.082 nan 4.420 nan 0.000 0.268 802 P C 0.416 177.548 177.300 -0.280 0.000 1.208 802 P CA -0.061 62.649 63.100 -0.650 0.000 0.777 802 P CB 0.718 31.865 31.700 -0.922 0.000 0.875 803 L N 0.790 121.901 121.223 -0.187 0.000 2.156 803 L HA 0.050 4.390 4.340 0.001 0.000 0.208 803 L C 1.655 178.476 176.870 -0.081 0.000 1.095 803 L CA 1.163 55.946 54.840 -0.095 0.000 0.770 803 L CB -0.837 41.196 42.059 -0.044 0.000 0.914 803 L HN 0.489 nan 8.230 nan 0.000 0.439 804 G N -0.278 108.465 108.800 -0.095 0.000 2.367 804 G HA2 0.522 4.482 3.960 0.001 0.000 0.314 804 G HA3 0.522 4.482 3.960 0.001 0.000 0.314 804 G C -0.456 174.354 174.900 -0.150 0.000 1.130 804 G CA 0.100 45.143 45.100 -0.095 0.000 0.864 804 G HN 0.138 nan 8.290 nan 0.000 0.486 805 T N -2.112 112.337 114.554 -0.175 0.000 2.762 805 T HA 0.739 5.090 4.350 0.001 0.000 0.301 805 T C -0.657 173.916 174.700 -0.211 0.000 1.299 805 T CA -0.748 61.243 62.100 -0.181 0.000 1.005 805 T CB 1.999 70.787 68.868 -0.134 0.000 1.377 805 T HN 0.482 nan 8.240 nan 0.000 0.504 806 T N 0.848 115.284 114.554 -0.197 0.000 2.893 806 T HA 0.443 4.793 4.350 0.001 0.000 0.293 806 T C 1.125 175.702 174.700 -0.205 0.000 1.027 806 T CA -1.005 60.986 62.100 -0.181 0.000 0.988 806 T CB 1.944 70.717 68.868 -0.158 0.000 1.043 806 T HN 0.592 nan 8.240 nan 0.000 0.461 807 R N 1.453 121.773 120.500 -0.299 0.000 2.159 807 R HA -0.075 4.265 4.340 0.001 0.000 0.237 807 R C 2.279 178.408 176.300 -0.284 0.000 1.131 807 R CA 1.247 57.015 56.100 -0.554 0.000 0.982 807 R CB -1.036 28.400 30.300 -1.440 0.000 0.868 807 R HN 0.709 nan 8.270 nan 0.000 0.453 808 A N 1.761 124.509 122.820 -0.119 0.000 1.902 808 A HA -0.159 4.161 4.320 0.001 0.000 0.217 808 A C 2.322 179.948 177.584 0.070 0.000 1.181 808 A CA 1.579 53.660 52.037 0.074 0.000 0.623 808 A CB -0.468 18.555 19.000 0.040 0.000 0.818 808 A HN 0.233 nan 8.150 nan 0.000 0.443 809 M N -0.832 118.730 119.600 -0.063 0.000 2.195 809 M HA -0.224 4.257 4.480 0.001 0.000 0.260 809 M C 2.037 178.327 176.300 -0.016 0.000 1.066 809 M CA 1.998 57.258 55.300 -0.067 0.000 1.089 809 M CB -0.678 31.858 32.600 -0.108 0.000 1.377 809 M HN 0.619 nan 8.290 nan 0.000 0.411 810 E N 0.595 120.727 120.200 -0.114 0.000 2.147 810 E HA -0.225 4.125 4.350 0.001 0.000 0.199 810 E C 1.344 177.734 176.600 -0.351 0.000 1.005 810 E CA 1.692 57.916 56.400 -0.295 0.000 0.810 810 E CB -0.008 29.360 29.700 -0.554 0.000 0.736 810 E HN 0.678 nan 8.360 nan 0.000 0.460 811 Y N -0.714 119.522 120.300 -0.107 0.000 2.500 811 Y HA 0.172 4.722 4.550 0.001 0.000 0.270 811 Y C 1.636 177.420 175.900 -0.193 0.000 1.134 811 Y CA 0.102 58.085 58.100 -0.195 0.000 1.293 811 Y CB 0.217 38.388 38.460 -0.482 0.000 1.063 811 Y HN -0.006 nan 8.280 nan 0.000 0.534 812 L N 0.257 121.506 121.223 0.044 0.000 2.591 812 L HA 0.043 4.383 4.340 0.001 0.000 0.228 812 L C 0.288 177.314 176.870 0.260 0.000 1.133 812 L CA 0.186 55.085 54.840 0.099 0.000 0.880 812 L CB -0.137 41.956 42.059 0.056 0.000 1.033 812 L HN 0.028 nan 8.230 nan 0.000 0.450 813 K N -0.631 119.861 120.400 0.154 0.000 3.148 813 K HA -0.265 4.055 4.320 0.001 0.000 0.267 813 K C 0.568 177.185 176.600 0.029 0.000 0.996 813 K CA 0.577 56.908 56.287 0.073 0.000 0.737 813 K CB -2.154 30.381 32.500 0.059 0.000 1.308 813 K HN 0.205 nan 8.250 nan 0.000 0.470 814 F N 1.003 120.916 119.950 -0.062 0.000 2.147 814 F HA 0.008 4.536 4.527 0.001 0.000 0.291 814 F C 2.270 178.002 175.800 -0.115 0.000 1.093 814 F CA 1.060 59.023 58.000 -0.060 0.000 1.263 814 F CB 0.021 38.998 39.000 -0.039 0.000 1.036 814 F HN 0.124 nan 8.300 nan 0.000 0.481 815 R N 0.128 120.618 120.500 -0.017 0.000 2.226 815 R HA -0.220 4.120 4.340 0.001 0.000 0.246 815 R C 1.622 177.793 176.300 -0.214 0.000 1.161 815 R CA 1.812 57.837 56.100 -0.126 0.000 0.997 815 R CB -0.500 29.756 30.300 -0.073 0.000 0.870 815 R HN 0.362 nan 8.270 nan 0.000 0.465 816 E N -0.223 119.820 120.200 -0.262 0.000 2.318 816 E HA 0.101 4.451 4.350 0.001 0.000 0.193 816 E C 0.081 176.376 176.600 -0.508 0.000 0.998 816 E CA 0.565 56.747 56.400 -0.364 0.000 0.859 816 E CB 0.524 29.950 29.700 -0.456 0.000 0.812 816 E HN 0.170 nan 8.360 nan 0.000 0.492 817 L N 1.475 122.381 121.223 -0.528 0.000 2.472 817 L HA 0.329 4.669 4.340 0.001 0.000 0.256 817 L C -2.432 174.136 176.870 -0.504 0.000 1.560 817 L CA -1.622 52.933 54.840 -0.474 0.000 0.805 817 L CB 1.049 42.783 42.059 -0.542 0.000 1.017 817 L HN -0.091 nan 8.230 nan 0.000 0.519 818 P HA 0.003 nan 4.420 nan 0.000 0.272 818 P C 0.202 177.319 177.300 -0.306 0.000 1.248 818 P CA -0.083 62.603 63.100 -0.691 0.000 0.799 818 P CB 1.415 32.928 31.700 -0.312 0.000 0.997 819 A N -0.783 122.019 122.820 -0.030 0.000 2.610 819 A HA 0.616 4.936 4.320 0.001 0.000 0.291 819 A C 0.579 178.198 177.584 0.058 0.000 1.116 819 A CA 0.481 52.589 52.037 0.118 0.000 0.963 819 A CB -0.203 18.964 19.000 0.279 0.000 1.220 819 A HN 0.782 nan 8.150 nan 0.000 0.530 820 G N -0.796 108.077 108.800 0.122 0.000 2.393 820 G HA2 0.483 4.444 3.960 0.001 0.000 0.264 820 G HA3 0.483 4.444 3.960 0.001 0.000 0.264 820 G C -1.831 173.237 174.900 0.279 0.000 1.221 820 G CA -0.492 44.616 45.100 0.014 0.000 0.912 820 G HN 0.235 nan 8.290 nan 0.000 0.483 821 Q N -0.032 119.894 119.800 0.209 0.000 2.345 821 Q HA 0.354 4.694 4.340 0.001 0.000 0.275 821 Q C -1.345 174.842 176.000 0.310 0.000 1.063 821 Q CA -1.012 54.895 55.803 0.173 0.000 0.819 821 Q CB 2.385 30.914 28.738 -0.349 0.000 1.356 821 Q HN 0.449 nan 8.270 nan 0.000 0.418 822 N N 1.314 120.171 118.700 0.261 0.000 2.399 822 N HA 0.307 5.048 4.740 0.001 0.000 0.259 822 N C -1.054 174.516 175.510 0.099 0.000 1.160 822 N CA 0.153 53.335 53.050 0.220 0.000 0.946 822 N CB 1.122 39.662 38.487 0.089 0.000 1.156 822 N HN 0.537 nan 8.380 nan 0.000 0.489 823 A N 2.639 125.546 122.820 0.144 0.000 2.320 823 A HA 0.470 4.791 4.320 0.001 0.000 0.334 823 A C 0.365 177.977 177.584 0.047 0.000 1.147 823 A CA -0.679 51.392 52.037 0.057 0.000 0.820 823 A CB 0.776 19.821 19.000 0.076 0.000 1.218 823 A HN 0.501 nan 8.150 nan 0.000 0.482 824 I N 3.387 123.943 120.570 -0.023 0.000 2.352 824 I HA 0.047 4.217 4.170 0.001 0.000 0.303 824 I C 0.861 176.832 176.117 -0.243 0.000 1.194 824 I CA 0.326 61.578 61.300 -0.079 0.000 1.518 824 I CB -1.308 36.676 38.000 -0.028 0.000 1.489 824 I HN 0.334 nan 8.210 nan 0.000 0.702 825 V N 4.883 124.700 119.914 -0.163 0.000 4.052 825 V HA 0.185 4.306 4.120 0.001 0.000 0.299 825 V C 0.987 176.806 176.094 -0.459 0.000 1.079 825 V CA 0.588 62.779 62.300 -0.180 0.000 1.167 825 V CB 0.786 32.633 31.823 0.041 0.000 1.153 825 V HN 0.878 nan 8.190 nan 0.000 0.479 826 A N 1.205 123.830 122.820 -0.325 0.000 2.012 826 A HA 0.294 4.614 4.320 0.001 0.000 0.237 826 A C -0.453 177.022 177.584 -0.182 0.000 1.940 826 A CA -0.706 51.089 52.037 -0.403 0.000 1.903 826 A CB -0.615 18.035 19.000 -0.584 0.000 0.745 826 A HN 0.570 nan 8.150 nan 0.000 0.926 827 I N 1.398 121.929 120.570 -0.064 0.000 3.138 827 I HA 0.178 4.349 4.170 0.001 0.000 0.286 827 I C 0.841 176.925 176.117 -0.057 0.000 1.194 827 I CA 1.422 62.714 61.300 -0.013 0.000 1.392 827 I CB -0.325 37.721 38.000 0.076 0.000 1.476 827 I HN 0.694 nan 8.210 nan 0.000 0.579 828 A N 5.604 128.389 122.820 -0.058 0.000 2.540 828 A HA 0.566 4.886 4.320 0.001 0.000 0.291 828 A C -1.387 176.198 177.584 0.002 0.000 1.083 828 A CA -0.542 51.462 52.037 -0.055 0.000 0.650 828 A CB 1.208 20.155 19.000 -0.090 0.000 1.292 828 A HN 0.534 nan 8.150 nan 0.000 0.435 829 C N 1.087 120.405 119.300 0.029 0.000 2.239 829 C HA 0.676 5.136 4.460 0.001 0.000 0.325 829 C C -1.022 174.091 174.990 0.206 0.000 1.231 829 C CA -0.079 59.001 59.018 0.104 0.000 1.652 829 C CB -1.145 26.645 27.740 0.082 0.000 2.284 829 C HN 0.563 nan 8.230 nan 0.000 0.499 830 Y N 3.429 123.746 120.300 0.028 0.000 2.346 830 Y HA 0.517 5.068 4.550 0.001 0.000 0.332 830 Y C 0.996 176.944 175.900 0.080 0.000 0.985 830 Y CA 0.340 58.443 58.100 0.005 0.000 1.112 830 Y CB 1.629 40.052 38.460 -0.062 0.000 1.170 830 Y HN 0.992 nan 8.280 nan 0.000 0.447 831 S N 2.971 118.610 115.700 -0.102 0.000 4.157 831 S HA -0.273 4.197 4.470 0.001 0.000 0.542 831 S C 0.997 175.704 174.600 0.178 0.000 1.864 831 S CA 1.439 59.637 58.200 -0.004 0.000 4.245 831 S CB -1.880 61.300 63.200 -0.033 0.000 0.266 831 S HN 2.032 nan 8.310 nan 0.000 0.457 832 G N -1.322 107.701 108.800 0.372 0.000 4.636 832 G HA2 0.447 4.408 3.960 0.001 0.000 0.212 832 G HA3 0.447 4.408 3.960 0.001 0.000 0.212 832 G C 0.036 175.113 174.900 0.296 0.000 0.829 832 G CA 0.433 45.709 45.100 0.293 0.000 0.833 832 G HN 0.579 nan 8.290 nan 0.000 0.510 833 Y N 1.595 121.947 120.300 0.086 0.000 2.500 833 Y HA 0.133 4.684 4.550 0.001 0.000 0.270 833 Y C 2.093 178.028 175.900 0.059 0.000 1.134 833 Y CA 0.049 58.185 58.100 0.062 0.000 1.293 833 Y CB 0.164 38.656 38.460 0.052 0.000 1.063 833 Y HN 0.403 nan 8.280 nan 0.000 0.534 834 N N 0.015 118.850 118.700 0.226 0.000 2.322 834 N HA -0.029 4.712 4.740 0.001 0.000 0.194 834 N C 0.230 175.803 175.510 0.106 0.000 1.126 834 N CA 0.036 53.173 53.050 0.146 0.000 0.845 834 N CB -0.075 38.496 38.487 0.140 0.000 0.976 834 N HN 0.331 nan 8.380 nan 0.000 0.475 835 Q N 0.844 120.697 119.800 0.089 0.000 2.535 835 Q HA 0.042 4.383 4.340 0.001 0.000 0.228 835 Q C -0.173 175.844 176.000 0.028 0.000 1.062 835 Q CA -0.099 55.739 55.803 0.058 0.000 0.967 835 Q CB 0.445 29.195 28.738 0.020 0.000 1.273 835 Q HN 0.185 nan 8.270 nan 0.000 0.554 836 E N 2.424 122.631 120.200 0.011 0.000 2.160 836 E HA -0.353 3.997 4.350 0.001 0.000 0.180 836 E C -1.079 175.531 176.600 0.017 0.000 1.452 836 E CA 0.982 57.381 56.400 -0.000 0.000 0.683 836 E CB -1.403 28.282 29.700 -0.025 0.000 1.072 836 E HN 0.742 nan 8.360 nan 0.000 0.332 837 D N -0.366 120.058 120.400 0.039 0.000 2.828 837 D HA -0.165 4.476 4.640 0.001 0.000 0.241 837 D C -0.569 175.760 176.300 0.048 0.000 1.142 837 D CA 1.555 55.585 54.000 0.050 0.000 0.755 837 D CB -0.941 39.888 40.800 0.048 0.000 1.014 837 D HN 0.479 nan 8.370 nan 0.000 0.420 838 S N -0.599 115.132 115.700 0.052 0.000 2.547 838 S HA 0.736 5.207 4.470 0.001 0.000 0.270 838 S C -0.403 174.230 174.600 0.055 0.000 1.150 838 S CA -1.138 57.092 58.200 0.050 0.000 0.850 838 S CB 3.040 66.261 63.200 0.035 0.000 1.118 838 S HN 0.274 nan 8.310 nan 0.000 0.461 839 M N 1.362 120.988 119.600 0.043 0.000 2.591 839 M HA 0.616 5.096 4.480 0.001 0.000 0.306 839 M C -1.598 174.723 176.300 0.034 0.000 1.190 839 M CA -0.755 54.559 55.300 0.023 0.000 0.889 839 M CB 1.141 33.707 32.600 -0.055 0.000 1.728 839 M HN 0.748 nan 8.290 nan 0.000 0.458 840 I N 3.025 123.634 120.570 0.066 0.000 2.416 840 I HA 0.317 4.487 4.170 0.001 0.000 0.288 840 I C -0.159 175.976 176.117 0.029 0.000 1.051 840 I CA -0.077 61.284 61.300 0.101 0.000 1.375 840 I CB 1.156 39.300 38.000 0.239 0.000 1.407 840 I HN 0.721 nan 8.210 nan 0.000 0.516 841 M N 6.708 126.308 119.600 -0.000 0.000 2.181 841 M HA 0.299 4.780 4.480 0.001 0.000 0.323 841 M C -0.373 175.928 176.300 0.001 0.000 1.004 841 M CA -0.753 54.517 55.300 -0.049 0.000 0.941 841 M CB 1.297 33.823 32.600 -0.123 0.000 1.579 841 M HN 0.519 nan 8.290 nan 0.000 0.427 842 N N 3.402 122.107 118.700 0.010 0.000 2.294 842 N HA -0.144 4.597 4.740 0.001 0.000 0.263 842 N C 0.366 175.892 175.510 0.026 0.000 1.281 842 N CA 0.746 53.820 53.050 0.041 0.000 0.846 842 N CB 0.941 39.437 38.487 0.015 0.000 1.061 842 N HN 0.745 nan 8.380 nan 0.000 0.478 843 Q N 2.937 122.764 119.800 0.045 0.000 2.008 843 Q HA -0.002 4.339 4.340 0.001 0.000 0.196 843 Q C 1.605 177.618 176.000 0.021 0.000 0.973 843 Q CA 1.600 57.417 55.803 0.023 0.000 0.826 843 Q CB -0.637 28.116 28.738 0.025 0.000 0.894 843 Q HN 0.718 nan 8.270 nan 0.000 0.439 844 S N 0.301 116.022 115.700 0.034 0.000 2.435 844 S HA -0.308 4.163 4.470 0.001 0.000 0.250 844 S C 1.914 176.523 174.600 0.015 0.000 1.065 844 S CA 2.634 60.850 58.200 0.027 0.000 1.243 844 S CB -0.987 62.233 63.200 0.034 0.000 1.158 844 S HN 0.751 nan 8.310 nan 0.000 0.430 845 S N 1.409 117.116 115.700 0.011 0.000 2.407 845 S HA -0.128 4.342 4.470 0.001 0.000 0.235 845 S C 1.751 176.344 174.600 -0.012 0.000 1.036 845 S CA 1.599 59.798 58.200 -0.002 0.000 1.013 845 S CB -0.904 62.288 63.200 -0.014 0.000 0.820 845 S HN 0.558 nan 8.310 nan 0.000 0.476 846 I N 2.283 122.848 120.570 -0.008 0.000 2.361 846 I HA -0.182 3.989 4.170 0.001 0.000 0.251 846 I C 2.098 178.198 176.117 -0.028 0.000 1.133 846 I CA 1.514 62.807 61.300 -0.012 0.000 1.413 846 I CB -0.523 37.476 38.000 -0.002 0.000 1.073 846 I HN 0.273 nan 8.210 nan 0.000 0.424 847 D N 1.072 121.464 120.400 -0.014 0.000 2.097 847 D HA -0.126 4.514 4.640 0.001 0.000 0.197 847 D C 1.986 178.282 176.300 -0.007 0.000 0.984 847 D CA 1.060 55.053 54.000 -0.011 0.000 0.826 847 D CB -0.331 40.471 40.800 0.004 0.000 0.973 847 D HN 0.335 nan 8.370 nan 0.000 0.460 848 R N 0.174 120.678 120.500 0.006 0.000 2.395 848 R HA 0.087 4.427 4.340 0.001 0.000 0.203 848 R C 1.194 177.512 176.300 0.030 0.000 1.076 848 R CA 0.669 56.788 56.100 0.032 0.000 1.059 848 R CB -0.146 30.177 30.300 0.039 0.000 0.860 848 R HN 0.245 nan 8.270 nan 0.000 0.476 849 G N 0.758 109.531 108.800 -0.046 0.000 2.179 849 G HA2 -0.238 3.722 3.960 0.001 0.000 0.220 849 G HA3 -0.238 3.722 3.960 0.001 0.000 0.220 849 G C -0.022 174.759 174.900 -0.197 0.000 0.990 849 G CA -0.331 44.669 45.100 -0.166 0.000 0.646 849 G HN 0.252 nan 8.290 nan 0.000 0.517 850 L N 0.970 122.128 121.223 -0.107 0.000 2.578 850 L HA 0.527 4.868 4.340 0.001 0.000 0.279 850 L C 1.242 178.084 176.870 -0.048 0.000 1.227 850 L CA 0.771 55.529 54.840 -0.137 0.000 0.900 850 L CB -1.000 40.993 42.059 -0.109 0.000 1.144 850 L HN 0.671 nan 8.230 nan 0.000 0.496 851 F N 2.440 122.343 119.950 -0.078 0.000 3.100 851 F HA -0.305 4.223 4.527 0.001 0.000 0.284 851 F C 1.135 176.871 175.800 -0.107 0.000 0.875 851 F CA 0.611 58.589 58.000 -0.037 0.000 1.039 851 F CB -0.795 38.217 39.000 0.020 0.000 1.111 851 F HN 0.605 nan 8.300 nan 0.000 0.575 852 R N 0.767 121.175 120.500 -0.153 0.000 2.490 852 R HA 0.508 4.849 4.340 0.001 0.000 0.280 852 R C 0.446 176.544 176.300 -0.336 0.000 1.077 852 R CA 0.595 56.423 56.100 -0.453 0.000 1.065 852 R CB 1.444 31.084 30.300 -1.100 0.000 1.003 852 R HN 0.249 nan 8.270 nan 0.000 0.470 853 S N 2.277 117.854 115.700 -0.205 0.000 2.661 853 S HA 0.564 5.035 4.470 0.001 0.000 0.285 853 S C -0.538 174.196 174.600 0.224 0.000 1.138 853 S CA -1.030 57.230 58.200 0.101 0.000 0.855 853 S CB 1.421 64.664 63.200 0.072 0.000 1.136 853 S HN 0.356 nan 8.310 nan 0.000 0.484 854 L N 1.134 122.541 121.223 0.306 0.000 2.358 854 L HA 0.727 5.068 4.340 0.001 0.000 0.268 854 L C -1.209 175.905 176.870 0.407 0.000 1.032 854 L CA -0.853 54.204 54.840 0.361 0.000 0.805 854 L CB 1.507 43.819 42.059 0.422 0.000 1.253 854 L HN 0.781 nan 8.230 nan 0.000 0.452 855 F N 1.727 121.802 119.950 0.208 0.000 2.653 855 F HA 0.536 5.063 4.527 0.001 0.000 0.327 855 F C -1.513 174.386 175.800 0.166 0.000 1.195 855 F CA -1.266 56.840 58.000 0.176 0.000 0.993 855 F CB 1.036 40.062 39.000 0.043 0.000 1.259 855 F HN 0.033 nan 8.300 nan 0.000 0.478 856 F N 5.020 124.967 119.950 -0.004 0.000 2.523 856 F HA 0.786 5.314 4.527 0.001 0.000 0.329 856 F C 0.062 175.647 175.800 -0.359 0.000 1.061 856 F CA -0.847 57.032 58.000 -0.202 0.000 0.967 856 F CB 1.905 40.894 39.000 -0.019 0.000 1.218 856 F HN 0.518 nan 8.300 nan 0.000 0.480 857 R N -0.161 120.220 120.500 -0.198 0.000 2.707 857 R HA 0.678 5.018 4.340 0.001 0.000 0.272 857 R C -1.870 174.322 176.300 -0.180 0.000 1.011 857 R CA -0.564 55.378 56.100 -0.263 0.000 0.893 857 R CB 2.077 32.076 30.300 -0.503 0.000 1.233 857 R HN 0.665 nan 8.270 nan 0.000 0.464 858 S N 2.272 117.843 115.700 -0.215 0.000 2.746 858 S HA 0.360 4.830 4.470 0.001 0.000 0.273 858 S C -1.293 173.206 174.600 -0.168 0.000 1.172 858 S CA -0.576 57.554 58.200 -0.116 0.000 1.116 858 S CB 0.394 63.583 63.200 -0.020 0.000 1.057 858 S HN 0.384 nan 8.310 nan 0.000 0.483 859 Y N 2.307 122.571 120.300 -0.060 0.000 2.281 859 Y HA 0.598 5.149 4.550 0.001 0.000 0.337 859 Y C 0.598 176.454 175.900 -0.072 0.000 1.304 859 Y CA -0.596 57.470 58.100 -0.057 0.000 1.465 859 Y CB 0.575 38.992 38.460 -0.072 0.000 1.350 859 Y HN 0.460 nan 8.280 nan 0.000 0.575 860 M N 1.461 121.123 119.600 0.102 0.000 2.534 860 M HA 0.350 4.831 4.480 0.001 0.000 0.280 860 M C -2.535 173.785 176.300 0.033 0.000 1.217 860 M CA -0.365 54.929 55.300 -0.009 0.000 0.893 860 M CB 2.813 35.406 32.600 -0.011 0.000 1.730 860 M HN 0.872 nan 8.290 nan 0.000 0.483 861 D N 1.480 121.876 120.400 -0.007 0.000 2.648 861 D HA 0.444 5.084 4.640 0.001 0.000 0.244 861 D C -1.856 174.589 176.300 0.242 0.000 1.244 861 D CA 0.011 54.095 54.000 0.140 0.000 0.772 861 D CB 2.385 43.294 40.800 0.182 0.000 1.379 861 D HN 0.776 nan 8.370 nan 0.000 0.428 862 Q N 0.162 120.134 119.800 0.287 0.000 2.668 862 Q HA 0.437 4.777 4.340 0.001 0.000 0.298 862 Q C -0.896 175.145 176.000 0.068 0.000 1.071 862 Q CA -0.830 55.145 55.803 0.288 0.000 0.789 862 Q CB 2.281 31.193 28.738 0.290 0.000 1.497 862 Q HN 0.213 nan 8.270 nan 0.000 0.460 863 E N 1.406 121.585 120.200 -0.035 0.000 2.267 863 E HA 0.177 4.528 4.350 0.001 0.000 0.241 863 E C -1.193 175.378 176.600 -0.048 0.000 0.950 863 E CA -0.278 56.018 56.400 -0.174 0.000 0.776 863 E CB 0.797 30.321 29.700 -0.292 0.000 1.207 863 E HN 0.175 nan 8.360 nan 0.000 0.436 864 K N 2.226 122.622 120.400 -0.007 0.000 2.511 864 K HA 0.017 4.337 4.320 0.001 0.000 0.280 864 K C 0.224 176.841 176.600 0.029 0.000 1.008 864 K CA 0.491 56.767 56.287 -0.018 0.000 1.050 864 K CB 0.536 33.032 32.500 -0.007 0.000 0.889 864 K HN 0.011 nan 8.250 nan 0.000 0.484 865 K N 2.606 122.962 120.400 -0.074 0.000 2.203 865 K HA 0.338 4.659 4.320 0.001 0.000 0.251 865 K C -1.250 175.284 176.600 -0.109 0.000 0.944 865 K CA -0.796 55.507 56.287 0.027 0.000 0.829 865 K CB 1.162 33.665 32.500 0.005 0.000 1.125 865 K HN 0.356 nan 8.250 nan 0.000 0.430 866 Y N 0.079 120.377 120.300 -0.005 0.000 2.332 866 Y HA 0.192 4.742 4.550 0.001 0.000 0.326 866 Y C 1.401 177.301 175.900 0.001 0.000 0.978 866 Y CA -0.560 57.540 58.100 -0.000 0.000 1.205 866 Y CB 1.594 40.053 38.460 -0.001 0.000 1.131 866 Y HN 0.895 nan 8.280 nan 0.000 0.462 867 G N 3.108 111.969 108.800 0.102 0.000 2.900 867 G HA2 -0.377 3.584 3.960 0.001 0.000 0.255 867 G HA3 -0.377 3.584 3.960 0.001 0.000 0.255 867 G C 0.978 175.920 174.900 0.071 0.000 1.105 867 G CA 1.213 46.354 45.100 0.068 0.000 0.735 867 G HN 0.652 nan 8.290 nan 0.000 0.652 868 M N 1.770 121.420 119.600 0.083 0.000 3.759 868 M HA 0.232 4.713 4.480 0.001 0.000 0.190 868 M C 0.778 177.111 176.300 0.054 0.000 1.478 868 M CA -0.080 55.254 55.300 0.056 0.000 1.691 868 M CB -0.090 32.537 32.600 0.044 0.000 1.113 868 M HN 0.138 nan 8.290 nan 0.000 0.542 869 S N 1.464 117.200 115.700 0.059 0.000 3.237 869 S HA -0.159 4.312 4.470 0.001 0.000 0.329 869 S C 0.058 174.683 174.600 0.041 0.000 0.881 869 S CA 0.548 58.779 58.200 0.052 0.000 1.297 869 S CB -1.475 61.743 63.200 0.031 0.000 0.866 869 S HN 0.568 nan 8.310 nan 0.000 0.473 870 I N 1.912 122.521 120.570 0.065 0.000 2.388 870 I HA 0.191 4.361 4.170 0.001 0.000 0.281 870 I C 0.524 176.674 176.117 0.056 0.000 1.046 870 I CA -0.220 61.069 61.300 -0.018 0.000 1.187 870 I CB 1.159 39.047 38.000 -0.188 0.000 1.351 870 I HN 0.113 nan 8.210 nan 0.000 0.472 871 T N 4.228 118.805 114.554 0.037 0.000 2.943 871 T HA 0.387 4.738 4.350 0.001 0.000 0.284 871 T C 0.094 174.797 174.700 0.005 0.000 1.015 871 T CA -0.669 61.465 62.100 0.056 0.000 1.042 871 T CB 1.739 70.622 68.868 0.024 0.000 1.055 871 T HN 0.425 nan 8.240 nan 0.000 0.500 872 E N 0.357 120.554 120.200 -0.005 0.000 2.292 872 E HA 0.598 4.948 4.350 0.001 0.000 0.258 872 E C -0.476 176.051 176.600 -0.122 0.000 1.115 872 E CA -0.712 55.656 56.400 -0.054 0.000 0.929 872 E CB 1.011 30.677 29.700 -0.057 0.000 1.161 872 E HN 0.437 nan 8.360 nan 0.000 0.453 873 T N 0.404 114.887 114.554 -0.118 0.000 2.896 873 T HA 0.376 4.727 4.350 0.001 0.000 0.297 873 T C -1.088 173.603 174.700 -0.016 0.000 1.108 873 T CA -0.644 61.397 62.100 -0.099 0.000 1.004 873 T CB 0.623 69.488 68.868 -0.006 0.000 1.159 873 T HN 0.280 nan 8.240 nan 0.000 0.499 874 F N 2.800 122.770 119.950 0.034 0.000 2.300 874 F HA 0.375 4.902 4.527 0.001 0.000 0.364 874 F C 0.923 176.739 175.800 0.028 0.000 1.090 874 F CA -0.700 57.318 58.000 0.030 0.000 1.200 874 F CB 0.497 39.512 39.000 0.025 0.000 1.493 874 F HN 0.603 nan 8.300 nan 0.000 0.518 875 E N 1.625 121.960 120.200 0.225 0.000 2.446 875 E HA 0.342 4.693 4.350 0.001 0.000 0.269 875 E C -1.384 175.289 176.600 0.123 0.000 0.977 875 E CA -1.314 55.165 56.400 0.132 0.000 0.854 875 E CB 1.872 31.627 29.700 0.092 0.000 1.545 875 E HN 0.207 nan 8.360 nan 0.000 0.448 876 K N 1.857 122.312 120.400 0.090 0.000 2.432 876 K HA 0.314 4.635 4.320 0.001 0.000 0.226 876 K C -2.222 174.399 176.600 0.035 0.000 1.057 876 K CA -1.908 54.443 56.287 0.106 0.000 1.034 876 K CB 0.651 33.203 32.500 0.087 0.000 1.561 876 K HN 0.345 nan 8.250 nan 0.000 0.492 877 P HA 0.106 nan 4.420 nan 0.000 0.274 877 P C -1.424 175.759 177.300 -0.196 0.000 1.256 877 P CA -0.271 62.786 63.100 -0.071 0.000 0.795 877 P CB 0.947 32.621 31.700 -0.042 0.000 1.038 878 Q N -1.125 118.577 119.800 -0.163 0.000 2.468 878 Q HA 0.402 4.743 4.340 0.001 0.000 0.263 878 Q C 0.098 176.024 176.000 -0.124 0.000 0.979 878 Q CA -0.916 54.773 55.803 -0.190 0.000 0.932 878 Q CB 1.197 29.843 28.738 -0.155 0.000 1.462 878 Q HN 0.347 nan 8.270 nan 0.000 0.403 879 R N 0.438 120.865 120.500 -0.122 0.000 3.363 879 R HA -0.263 4.077 4.340 0.001 0.000 0.631 879 R C -0.540 175.720 176.300 -0.065 0.000 0.241 879 R CA 1.834 57.884 56.100 -0.083 0.000 1.940 879 R CB -1.885 28.376 30.300 -0.066 0.000 0.796 879 R HN 1.144 nan 8.270 nan 0.000 0.645 880 T N 1.170 115.694 114.554 -0.049 0.000 3.803 880 T HA -0.168 4.182 4.350 0.001 0.000 0.386 880 T C 0.202 174.881 174.700 -0.035 0.000 0.761 880 T CA 0.849 62.926 62.100 -0.039 0.000 2.046 880 T CB -1.091 67.754 68.868 -0.038 0.000 1.764 880 T HN 0.669 nan 8.240 nan 0.000 0.798 881 N N -1.055 117.626 118.700 -0.032 0.000 3.477 881 N HA -0.221 4.520 4.740 0.001 0.000 0.231 881 N C 1.432 176.924 175.510 -0.030 0.000 0.193 881 N CA 2.034 55.067 53.050 -0.028 0.000 3.689 881 N CB -1.786 36.685 38.487 -0.025 0.000 1.177 881 N HN 0.503 nan 8.380 nan 0.000 0.240 882 T N 3.099 117.634 114.554 -0.032 0.000 2.653 882 T HA -0.048 4.303 4.350 0.001 0.000 0.268 882 T C 1.558 176.236 174.700 -0.036 0.000 1.035 882 T CA 2.335 64.416 62.100 -0.031 0.000 1.154 882 T CB -0.182 68.668 68.868 -0.031 0.000 0.862 882 T HN 0.492 nan 8.240 nan 0.000 0.441 883 L N -1.990 119.204 121.223 -0.048 0.000 5.174 883 L HA -0.196 4.144 4.340 0.001 0.000 0.420 883 L C 0.574 177.407 176.870 -0.062 0.000 0.973 883 L CA 0.435 55.240 54.840 -0.057 0.000 1.381 883 L CB -1.364 40.668 42.059 -0.045 0.000 1.819 883 L HN 0.197 nan 8.230 nan 0.000 0.645 884 R N 1.417 121.888 120.500 -0.048 0.000 4.113 884 R HA 0.267 4.607 4.340 0.001 0.000 0.179 884 R C 0.598 176.875 176.300 -0.038 0.000 1.781 884 R CA 0.432 56.508 56.100 -0.039 0.000 1.402 884 R CB -0.186 30.101 30.300 -0.021 0.000 1.375 884 R HN 0.484 nan 8.270 nan 0.000 0.786 885 M N 0.248 119.810 119.600 -0.064 0.000 2.318 885 M HA 0.339 4.820 4.480 0.001 0.000 0.214 885 M C 0.458 176.757 176.300 -0.002 0.000 0.668 885 M CA -0.160 55.114 55.300 -0.043 0.000 1.873 885 M CB 0.246 32.764 32.600 -0.137 0.000 1.115 885 M HN -0.099 nan 8.290 nan 0.000 0.907 886 K N -0.624 119.802 120.400 0.043 0.000 2.250 886 K HA 0.368 4.689 4.320 0.001 0.000 0.261 886 K C 0.670 177.218 176.600 -0.087 0.000 1.047 886 K CA -0.574 55.721 56.287 0.013 0.000 0.884 886 K CB 0.458 33.050 32.500 0.154 0.000 1.476 886 K HN 0.472 nan 8.250 nan 0.000 0.445 887 H N -0.519 118.610 119.070 0.097 0.000 2.557 887 H HA 0.163 4.719 4.556 0.001 0.000 0.281 887 H C 0.641 176.014 175.328 0.076 0.000 0.990 887 H CA 0.472 56.562 56.048 0.069 0.000 1.278 887 H CB 0.490 30.272 29.762 0.033 0.000 1.451 887 H HN 0.623 nan 8.280 nan 0.000 0.516 888 G N 1.226 110.127 108.800 0.168 0.000 2.467 888 G HA2 0.129 4.089 3.960 0.001 0.000 0.257 888 G HA3 0.129 4.089 3.960 0.001 0.000 0.257 888 G C -0.130 174.836 174.900 0.109 0.000 1.227 888 G CA -0.278 44.869 45.100 0.079 0.000 0.835 888 G HN 0.042 nan 8.290 nan 0.000 0.556 889 T N 1.689 116.291 114.554 0.080 0.000 2.908 889 T HA -0.032 4.319 4.350 0.001 0.000 0.301 889 T C 0.478 175.239 174.700 0.101 0.000 1.019 889 T CA 0.694 62.866 62.100 0.120 0.000 1.152 889 T CB 0.425 69.327 68.868 0.055 0.000 0.966 889 T HN 0.445 nan 8.240 nan 0.000 0.540 890 Y N 0.622 120.907 120.300 -0.025 0.000 2.510 890 Y HA 0.066 4.617 4.550 0.001 0.000 0.273 890 Y C 2.165 178.047 175.900 -0.031 0.000 1.119 890 Y CA -0.341 57.740 58.100 -0.031 0.000 1.286 890 Y CB -0.049 38.395 38.460 -0.026 0.000 1.061 890 Y HN 0.664 nan 8.280 nan 0.000 0.542 891 D N 0.657 121.132 120.400 0.125 0.000 2.292 891 D HA -0.215 4.426 4.640 0.001 0.000 0.205 891 D C 1.128 177.441 176.300 0.022 0.000 0.994 891 D CA 1.331 55.366 54.000 0.059 0.000 0.897 891 D CB -0.045 40.778 40.800 0.038 0.000 0.907 891 D HN 0.410 nan 8.370 nan 0.000 0.467 892 K N -0.055 120.343 120.400 -0.003 0.000 2.458 892 K HA 0.142 4.462 4.320 0.001 0.000 0.194 892 K C 0.433 177.008 176.600 -0.041 0.000 1.024 892 K CA -0.030 56.237 56.287 -0.032 0.000 1.108 892 K CB 0.456 32.921 32.500 -0.059 0.000 0.846 892 K HN 0.092 nan 8.250 nan 0.000 0.518 893 L N 1.169 122.383 121.223 -0.016 0.000 2.295 893 L HA 0.186 4.527 4.340 0.001 0.000 0.285 893 L C 0.119 176.989 176.870 -0.001 0.000 1.035 893 L CA -0.665 54.164 54.840 -0.018 0.000 0.806 893 L CB 1.368 43.435 42.059 0.013 0.000 1.214 893 L HN -0.009 nan 8.230 nan 0.000 0.426 894 D N 0.695 121.085 120.400 -0.017 0.000 2.249 894 D HA 0.005 4.645 4.640 0.001 0.000 0.269 894 D C 0.451 176.755 176.300 0.007 0.000 1.220 894 D CA 0.133 54.129 54.000 -0.007 0.000 1.016 894 D CB 0.585 41.374 40.800 -0.018 0.000 1.133 894 D HN 0.509 nan 8.370 nan 0.000 0.533 895 D N -1.395 119.011 120.400 0.009 0.000 2.301 895 D HA -0.009 4.632 4.640 0.001 0.000 0.206 895 D C 0.881 177.200 176.300 0.031 0.000 0.979 895 D CA 0.449 54.463 54.000 0.023 0.000 0.874 895 D CB -0.112 40.701 40.800 0.021 0.000 0.968 895 D HN 0.381 nan 8.370 nan 0.000 0.510 896 D N -0.372 120.038 120.400 0.016 0.000 2.378 896 D HA 0.048 4.689 4.640 0.001 0.000 0.222 896 D C 1.489 177.792 176.300 0.004 0.000 0.980 896 D CA 0.837 54.851 54.000 0.023 0.000 0.907 896 D CB -0.315 40.484 40.800 -0.001 0.000 0.899 896 D HN 0.179 nan 8.370 nan 0.000 0.527 897 G N -0.667 108.128 108.800 -0.008 0.000 2.132 897 G HA2 -0.212 3.749 3.960 0.001 0.000 0.234 897 G HA3 -0.212 3.749 3.960 0.001 0.000 0.234 897 G C -0.060 174.761 174.900 -0.132 0.000 0.989 897 G CA 0.343 45.426 45.100 -0.028 0.000 0.676 897 G HN 0.402 nan 8.290 nan 0.000 0.522 898 L N -0.981 120.164 121.223 -0.130 0.000 2.211 898 L HA 0.797 5.138 4.340 0.001 0.000 0.259 898 L C 0.556 177.358 176.870 -0.113 0.000 1.031 898 L CA -1.616 53.127 54.840 -0.161 0.000 0.877 898 L CB 1.479 43.429 42.059 -0.182 0.000 1.457 898 L HN -0.005 nan 8.230 nan 0.000 0.466 899 I N 0.360 120.859 120.570 -0.119 0.000 2.493 899 I HA 0.529 4.700 4.170 0.001 0.000 0.298 899 I C -0.009 176.061 176.117 -0.079 0.000 0.998 899 I CA -0.709 60.534 61.300 -0.095 0.000 1.137 899 I CB 1.974 39.908 38.000 -0.110 0.000 1.310 899 I HN 0.572 nan 8.210 nan 0.000 0.445 900 A N 6.067 128.851 122.820 -0.060 0.000 2.363 900 A HA 0.446 4.767 4.320 0.001 0.000 0.270 900 A C -1.826 175.730 177.584 -0.047 0.000 1.121 900 A CA -1.374 50.634 52.037 -0.048 0.000 0.800 900 A CB -0.004 18.975 19.000 -0.035 0.000 1.052 900 A HN 0.576 nan 8.150 nan 0.000 0.493 901 P HA -0.170 nan 4.420 nan 0.000 0.224 901 P C 1.355 178.633 177.300 -0.037 0.000 1.138 901 P CA 1.884 64.962 63.100 -0.037 0.000 0.780 901 P CB 0.226 31.912 31.700 -0.023 0.000 0.755 902 G N -1.335 107.444 108.800 -0.035 0.000 2.492 902 G HA2 -0.014 3.946 3.960 0.001 0.000 0.214 902 G HA3 -0.014 3.946 3.960 0.001 0.000 0.214 902 G C 0.414 175.292 174.900 -0.038 0.000 1.147 902 G CA -0.064 45.017 45.100 -0.032 0.000 0.809 902 G HN 0.107 nan 8.290 nan 0.000 0.533 903 V N 0.380 120.268 119.914 -0.043 0.000 3.083 903 V HA 0.053 4.173 4.120 0.001 0.000 0.303 903 V C 0.729 176.791 176.094 -0.054 0.000 1.151 903 V CA 0.291 62.563 62.300 -0.047 0.000 1.275 903 V CB 0.728 32.517 31.823 -0.056 0.000 0.950 903 V HN 0.350 nan 8.190 nan 0.000 0.506 904 R N 2.590 123.061 120.500 -0.049 0.000 2.287 904 R HA 0.530 4.870 4.340 0.001 0.000 0.316 904 R C -0.758 175.509 176.300 -0.055 0.000 1.050 904 R CA -0.471 55.599 56.100 -0.050 0.000 0.983 904 R CB 1.217 31.495 30.300 -0.037 0.000 1.140 904 R HN 0.749 nan 8.270 nan 0.000 0.528 905 V N 1.782 121.654 119.914 -0.069 0.000 2.567 905 V HA 0.612 4.733 4.120 0.001 0.000 0.289 905 V C 0.288 176.343 176.094 -0.064 0.000 1.049 905 V CA 0.021 62.274 62.300 -0.078 0.000 0.969 905 V CB 1.666 33.424 31.823 -0.109 0.000 0.995 905 V HN 0.864 nan 8.190 nan 0.000 0.471 906 S N 3.455 119.120 115.700 -0.057 0.000 3.385 906 S HA 0.529 5.000 4.470 0.001 0.000 0.176 906 S C 1.556 176.134 174.600 -0.037 0.000 0.851 906 S CA 0.266 58.442 58.200 -0.041 0.000 1.039 906 S CB -0.325 62.857 63.200 -0.029 0.000 1.241 906 S HN 1.395 nan 8.310 nan 0.000 0.859 907 G N 1.412 110.194 108.800 -0.030 0.000 2.833 907 G HA2 -0.118 3.843 3.960 0.001 0.000 0.186 907 G HA3 -0.118 3.843 3.960 0.001 0.000 0.186 907 G C 0.528 175.408 174.900 -0.033 0.000 1.437 907 G CA 1.180 46.265 45.100 -0.025 0.000 0.813 907 G HN 0.704 nan 8.290 nan 0.000 0.663 908 E N 0.773 120.951 120.200 -0.036 0.000 2.583 908 E HA 0.148 4.498 4.350 0.001 0.000 0.213 908 E C -0.555 175.990 176.600 -0.092 0.000 0.989 908 E CA -0.173 56.198 56.400 -0.048 0.000 0.991 908 E CB 0.348 30.041 29.700 -0.012 0.000 1.040 908 E HN 0.553 nan 8.360 nan 0.000 0.481 909 D N 0.874 121.214 120.400 -0.100 0.000 2.505 909 D HA -0.108 4.533 4.640 0.001 0.000 0.229 909 D C 0.158 176.308 176.300 -0.251 0.000 1.215 909 D CA 0.257 54.168 54.000 -0.148 0.000 0.880 909 D CB 0.539 41.265 40.800 -0.123 0.000 1.228 909 D HN -0.221 nan 8.370 nan 0.000 0.497 910 V N 1.118 120.810 119.914 -0.371 0.000 2.649 910 V HA 0.123 4.244 4.120 0.001 0.000 0.292 910 V C 1.235 177.114 176.094 -0.357 0.000 1.055 910 V CA -0.131 61.882 62.300 -0.478 0.000 1.023 910 V CB 1.155 32.444 31.823 -0.889 0.000 0.992 910 V HN 0.526 nan 8.190 nan 0.000 0.480 911 I N 3.469 123.827 120.570 -0.353 0.000 4.323 911 I HA 0.349 4.520 4.170 0.001 0.000 0.328 911 I C 0.108 176.066 176.117 -0.265 0.000 1.310 911 I CA 0.606 61.716 61.300 -0.317 0.000 1.186 911 I CB 0.595 38.332 38.000 -0.439 0.000 1.130 911 I HN 0.394 nan 8.210 nan 0.000 0.411 912 I N 0.280 120.701 120.570 -0.248 0.000 2.656 912 I HA 0.369 4.539 4.170 0.001 0.000 0.292 912 I C -0.431 175.627 176.117 -0.098 0.000 1.144 912 I CA -0.582 60.604 61.300 -0.190 0.000 1.038 912 I CB 2.380 40.286 38.000 -0.156 0.000 1.244 912 I HN -0.100 nan 8.210 nan 0.000 0.420 913 G N 5.339 114.121 108.800 -0.029 0.000 2.603 913 G HA2 0.505 4.466 3.960 0.001 0.000 0.324 913 G HA3 0.505 4.466 3.960 0.001 0.000 0.324 913 G C -0.983 174.088 174.900 0.285 0.000 1.178 913 G CA -0.337 44.840 45.100 0.128 0.000 1.023 913 G HN 0.542 nan 8.290 nan 0.000 0.482 914 K N 1.279 121.845 120.400 0.277 0.000 2.385 914 K HA 0.801 5.121 4.320 0.001 0.000 0.248 914 K C -0.583 176.106 176.600 0.148 0.000 0.955 914 K CA -0.606 55.852 56.287 0.284 0.000 0.816 914 K CB 2.162 34.837 32.500 0.291 0.000 1.250 914 K HN 0.531 nan 8.250 nan 0.000 0.434 915 T N -1.249 113.353 114.554 0.080 0.000 2.883 915 T HA 0.464 4.814 4.350 0.001 0.000 0.301 915 T C -0.928 173.779 174.700 0.012 0.000 1.158 915 T CA -0.777 61.350 62.100 0.045 0.000 1.007 915 T CB 1.741 70.630 68.868 0.035 0.000 1.186 915 T HN 0.376 nan 8.240 nan 0.000 0.499 916 T N 3.594 118.150 114.554 0.003 0.000 2.841 916 T HA 0.663 5.014 4.350 0.001 0.000 0.285 916 T C -2.562 172.110 174.700 -0.046 0.000 0.991 916 T CA -1.004 61.082 62.100 -0.023 0.000 0.966 916 T CB 1.814 70.676 68.868 -0.011 0.000 0.962 916 T HN 0.614 nan 8.240 nan 0.000 0.438 934 K N 2.714 123.097 120.400 -0.029 0.000 2.419 934 K HA 0.397 4.717 4.320 0.001 0.000 0.244 934 K C -0.779 175.807 176.600 -0.023 0.000 1.045 934 K CA -0.351 55.920 56.287 -0.027 0.000 1.004 934 K CB 1.063 33.542 32.500 -0.034 0.000 1.376 934 K HN 0.274 nan 8.250 nan 0.000 0.460 935 R N 2.019 122.510 120.500 -0.015 0.000 2.207 935 R HA 0.145 4.486 4.340 0.001 0.000 0.334 935 R C -0.132 176.176 176.300 0.014 0.000 1.013 935 R CA -0.766 55.331 56.100 -0.005 0.000 0.858 935 R CB 0.974 31.269 30.300 -0.007 0.000 1.094 935 R HN 0.492 nan 8.270 nan 0.000 0.457 936 D N 2.192 122.606 120.400 0.024 0.000 2.400 936 D HA 0.079 4.719 4.640 0.001 0.000 0.238 936 D C -0.087 176.253 176.300 0.067 0.000 1.157 936 D CA 0.330 54.365 54.000 0.060 0.000 0.889 936 D CB 1.085 41.932 40.800 0.079 0.000 1.199 936 D HN 0.663 nan 8.370 nan 0.000 0.436 937 A N 1.825 124.699 122.820 0.091 0.000 2.474 937 A HA 0.174 4.494 4.320 0.001 0.000 0.249 937 A C -0.051 177.595 177.584 0.102 0.000 0.891 937 A CA -0.407 51.682 52.037 0.088 0.000 1.135 937 A CB -0.005 19.046 19.000 0.086 0.000 1.191 937 A HN 0.306 nan 8.150 nan 0.000 0.471 938 S N 1.374 117.135 115.700 0.100 0.000 2.565 938 S HA 0.441 4.911 4.470 0.001 0.000 0.276 938 S C 0.327 174.918 174.600 -0.015 0.000 1.326 938 S CA 0.210 58.443 58.200 0.055 0.000 1.045 938 S CB 0.841 64.080 63.200 0.064 0.000 0.918 938 S HN 0.433 nan 8.310 nan 0.000 0.505 939 T N 5.879 120.392 114.554 -0.068 0.000 2.744 939 T HA 0.448 4.799 4.350 0.001 0.000 0.291 939 T C -2.353 172.210 174.700 -0.227 0.000 0.957 939 T CA -1.161 60.876 62.100 -0.105 0.000 1.002 939 T CB 1.078 69.894 68.868 -0.086 0.000 0.919 939 T HN 0.406 nan 8.240 nan 0.000 0.468 940 P HA 0.424 nan 4.420 nan 0.000 0.287 940 P C -0.724 176.396 177.300 -0.300 0.000 1.279 940 P CA -0.963 61.998 63.100 -0.233 0.000 0.867 940 P CB 1.224 32.852 31.700 -0.120 0.000 1.127 941 L N 2.708 123.747 121.223 -0.307 0.000 2.380 941 L HA 0.210 4.551 4.340 0.001 0.000 0.273 941 L C 0.873 177.728 176.870 -0.026 0.000 1.138 941 L CA -0.137 54.543 54.840 -0.266 0.000 0.832 941 L CB -0.067 41.873 42.059 -0.197 0.000 1.124 941 L HN 0.276 nan 8.230 nan 0.000 0.454 942 R N 3.352 123.941 120.500 0.148 0.000 2.549 942 R HA -0.082 4.259 4.340 0.001 0.000 0.336 942 R C 1.588 177.918 176.300 0.050 0.000 0.891 942 R CA 0.695 56.864 56.100 0.115 0.000 1.102 942 R CB -0.088 30.294 30.300 0.137 0.000 0.899 942 R HN 0.985 nan 8.270 nan 0.000 0.407 943 S N 1.653 117.368 115.700 0.025 0.000 2.455 943 S HA -0.308 4.162 4.470 0.001 0.000 0.252 943 S C 1.488 176.094 174.600 0.009 0.000 1.075 943 S CA 2.289 60.494 58.200 0.009 0.000 1.038 943 S CB -0.469 62.734 63.200 0.004 0.000 0.835 943 S HN 0.717 nan 8.310 nan 0.000 0.482 944 T N 0.700 115.264 114.554 0.017 0.000 2.837 944 T HA 0.168 4.518 4.350 0.001 0.000 0.248 944 T C 0.894 175.611 174.700 0.028 0.000 1.033 944 T CA 0.352 62.462 62.100 0.017 0.000 1.150 944 T CB -0.471 68.405 68.868 0.014 0.000 0.865 944 T HN 0.539 nan 8.240 nan 0.000 0.425 945 E N 2.501 122.729 120.200 0.047 0.000 2.478 945 E HA 0.207 4.557 4.350 0.001 0.000 0.262 945 E C 0.084 176.696 176.600 0.020 0.000 1.243 945 E CA 0.281 56.712 56.400 0.052 0.000 1.039 945 E CB 0.170 29.908 29.700 0.063 0.000 0.983 945 E HN 0.599 nan 8.360 nan 0.000 0.479 946 N N -0.822 117.880 118.700 0.002 0.000 4.451 946 N HA 0.257 4.997 4.740 0.001 0.000 0.195 946 N C -0.752 174.736 175.510 -0.037 0.000 1.087 946 N CA 0.128 53.166 53.050 -0.020 0.000 1.025 946 N CB 0.662 39.140 38.487 -0.014 0.000 1.603 946 N HN 0.575 nan 8.380 nan 0.000 0.631 947 G N 0.750 109.515 108.800 -0.057 0.000 2.725 947 G HA2 0.444 4.405 3.960 0.001 0.000 0.098 947 G HA3 0.444 4.405 3.960 0.001 0.000 0.098 947 G C -1.663 173.189 174.900 -0.080 0.000 1.188 947 G CA -0.358 44.698 45.100 -0.073 0.000 1.237 947 G HN 0.607 nan 8.290 nan 0.000 0.596 948 I N 0.811 121.316 120.570 -0.109 0.000 2.686 948 I HA 0.458 4.628 4.170 0.001 0.000 0.295 948 I C 0.058 176.103 176.117 -0.120 0.000 1.114 948 I CA -1.129 60.112 61.300 -0.100 0.000 1.038 948 I CB 2.430 40.378 38.000 -0.087 0.000 1.238 948 I HN 0.244 nan 8.210 nan 0.000 0.420 949 V N 3.337 123.194 119.914 -0.096 0.000 2.872 949 V HA -0.041 4.079 4.120 0.001 0.000 0.307 949 V C 0.416 176.456 176.094 -0.091 0.000 1.072 949 V CA 0.657 62.902 62.300 -0.091 0.000 1.148 949 V CB 1.032 32.808 31.823 -0.077 0.000 0.954 949 V HN 0.915 nan 8.190 nan 0.000 0.490 950 D N 0.662 121.013 120.400 -0.082 0.000 2.489 950 D HA 0.150 4.791 4.640 0.001 0.000 0.231 950 D C 0.265 176.567 176.300 0.004 0.000 1.114 950 D CA 0.173 54.138 54.000 -0.060 0.000 0.842 950 D CB 0.561 41.284 40.800 -0.129 0.000 1.133 950 D HN 0.626 nan 8.370 nan 0.000 0.506 951 Q N 0.604 120.404 119.800 0.001 0.000 3.155 951 Q HA 0.128 4.468 4.340 0.001 0.000 0.186 951 Q C -2.127 173.872 176.000 -0.002 0.000 0.949 951 Q CA -0.292 55.518 55.803 0.012 0.000 1.252 951 Q CB 0.270 29.038 28.738 0.050 0.000 1.715 951 Q HN -0.065 nan 8.270 nan 0.000 0.608 952 V N 4.560 124.459 119.914 -0.025 0.000 2.834 952 V HA 0.752 4.873 4.120 0.001 0.000 0.313 952 V C 0.029 176.099 176.094 -0.040 0.000 1.060 952 V CA -0.644 61.627 62.300 -0.049 0.000 0.989 952 V CB 1.697 33.475 31.823 -0.076 0.000 1.041 952 V HN 0.683 nan 8.190 nan 0.000 0.459 953 L N 1.545 122.734 121.223 -0.056 0.000 2.543 953 L HA 0.808 5.149 4.340 0.001 0.000 0.265 953 L C -1.538 175.307 176.870 -0.042 0.000 0.945 953 L CA -0.620 54.202 54.840 -0.030 0.000 0.869 953 L CB 2.086 44.146 42.059 0.001 0.000 1.294 953 L HN 0.333 nan 8.230 nan 0.000 0.405 954 V N 2.785 122.695 119.914 -0.007 0.000 2.370 954 V HA 0.684 4.805 4.120 0.001 0.000 0.283 954 V C 0.266 176.416 176.094 0.094 0.000 1.023 954 V CA 0.119 62.434 62.300 0.025 0.000 0.857 954 V CB 1.512 33.350 31.823 0.025 0.000 0.985 954 V HN 0.994 nan 8.190 nan 0.000 0.443 955 T N 2.580 117.234 114.554 0.165 0.000 2.864 955 T HA 0.469 4.820 4.350 0.001 0.000 0.289 955 T C -0.179 174.671 174.700 0.249 0.000 1.082 955 T CA -0.451 61.778 62.100 0.215 0.000 1.009 955 T CB 2.054 71.087 68.868 0.275 0.000 1.234 955 T HN 0.607 nan 8.240 nan 0.000 0.526 956 T N 2.667 117.337 114.554 0.192 0.000 2.907 956 T HA 0.496 4.846 4.350 0.001 0.000 0.284 956 T C -0.201 174.561 174.700 0.103 0.000 1.004 956 T CA -0.654 61.533 62.100 0.145 0.000 1.063 956 T CB 0.567 69.495 68.868 0.099 0.000 0.992 956 T HN 0.566 nan 8.240 nan 0.000 0.483 957 N N 1.941 120.673 118.700 0.054 0.000 2.443 957 N HA 0.190 4.931 4.740 0.001 0.000 0.269 957 N C 1.071 176.550 175.510 -0.053 0.000 0.985 957 N CA -0.396 52.613 53.050 -0.067 0.000 0.921 957 N CB 0.752 39.180 38.487 -0.098 0.000 1.195 957 N HN 0.642 nan 8.380 nan 0.000 0.492 958 Q N 1.504 121.263 119.800 -0.069 0.000 2.669 958 Q HA -0.362 3.979 4.340 0.001 0.000 0.241 958 Q C 0.012 175.990 176.000 -0.036 0.000 1.160 958 Q CA 2.807 58.577 55.803 -0.055 0.000 1.028 958 Q CB -0.722 27.983 28.738 -0.055 0.000 0.923 958 Q HN 0.770 nan 8.270 nan 0.000 0.585 959 D N -0.594 119.788 120.400 -0.030 0.000 2.403 959 D HA -0.005 4.635 4.640 0.001 0.000 0.227 959 D C 1.108 177.406 176.300 -0.004 0.000 0.995 959 D CA 1.253 55.244 54.000 -0.016 0.000 0.928 959 D CB -0.265 40.524 40.800 -0.018 0.000 0.887 959 D HN 0.674 nan 8.370 nan 0.000 0.529 960 G N 0.650 109.452 108.800 0.002 0.000 2.143 960 G HA2 -0.294 3.667 3.960 0.001 0.000 0.248 960 G HA3 -0.294 3.667 3.960 0.001 0.000 0.248 960 G C 0.269 175.192 174.900 0.037 0.000 0.991 960 G CA -0.009 45.104 45.100 0.021 0.000 0.689 960 G HN 0.329 nan 8.290 nan 0.000 0.522 961 L N -0.234 121.013 121.223 0.041 0.000 2.375 961 L HA 0.425 4.765 4.340 0.001 0.000 0.271 961 L C 1.040 177.981 176.870 0.119 0.000 1.107 961 L CA -0.752 54.121 54.840 0.054 0.000 0.806 961 L CB 0.789 42.872 42.059 0.039 0.000 1.146 961 L HN -0.039 nan 8.230 nan 0.000 0.447 962 K N 2.405 122.874 120.400 0.116 0.000 2.363 962 K HA 0.155 4.476 4.320 0.001 0.000 0.289 962 K C -0.965 175.863 176.600 0.381 0.000 1.063 962 K CA 0.057 56.486 56.287 0.237 0.000 0.967 962 K CB 0.270 32.916 32.500 0.244 0.000 0.987 962 K HN 0.266 nan 8.250 nan 0.000 0.473 963 F N 4.455 124.525 119.950 0.199 0.000 2.402 963 F HA 0.321 4.848 4.527 0.001 0.000 0.355 963 F C -0.842 175.060 175.800 0.170 0.000 1.123 963 F CA -0.829 57.281 58.000 0.183 0.000 1.021 963 F CB 0.890 39.958 39.000 0.112 0.000 1.160 963 F HN 0.066 nan 8.300 nan 0.000 0.451 964 V N 6.328 126.060 119.914 -0.304 0.000 2.656 964 V HA 0.485 4.605 4.120 0.001 0.000 0.307 964 V C -0.781 175.020 176.094 -0.488 0.000 1.051 964 V CA -1.006 61.075 62.300 -0.364 0.000 0.893 964 V CB 2.220 33.853 31.823 -0.317 0.000 0.999 964 V HN 0.637 nan 8.190 nan 0.000 0.426 965 K N 3.057 123.238 120.400 -0.364 0.000 2.426 965 K HA 0.764 5.084 4.320 0.001 0.000 0.254 965 K C -1.571 174.958 176.600 -0.117 0.000 0.936 965 K CA -0.604 55.540 56.287 -0.238 0.000 0.801 965 K CB 2.518 34.898 32.500 -0.200 0.000 1.139 965 K HN 0.438 nan 8.250 nan 0.000 0.424 966 V N 2.820 122.701 119.914 -0.056 0.000 2.555 966 V HA 0.490 4.611 4.120 0.001 0.000 0.302 966 V C -0.350 175.773 176.094 0.048 0.000 1.038 966 V CA -0.956 61.332 62.300 -0.020 0.000 0.887 966 V CB 1.811 33.608 31.823 -0.044 0.000 0.991 966 V HN 0.684 nan 8.190 nan 0.000 0.434 967 R N 2.730 123.249 120.500 0.032 0.000 2.534 967 R HA 0.779 5.119 4.340 0.001 0.000 0.301 967 R C -1.782 174.501 176.300 -0.027 0.000 0.961 967 R CA -0.377 55.747 56.100 0.040 0.000 0.871 967 R CB 2.016 32.379 30.300 0.104 0.000 1.170 967 R HN 0.565 nan 8.270 nan 0.000 0.446 968 V N 4.610 124.475 119.914 -0.081 0.000 2.581 968 V HA 0.545 4.666 4.120 0.001 0.000 0.303 968 V C -0.125 175.729 176.094 -0.401 0.000 1.041 968 V CA -0.802 61.392 62.300 -0.176 0.000 0.907 968 V CB 1.651 33.418 31.823 -0.093 0.000 0.994 968 V HN 0.688 nan 8.190 nan 0.000 0.442 969 R N 2.409 122.629 120.500 -0.467 0.000 2.599 969 R HA 0.753 5.094 4.340 0.001 0.000 0.295 969 R C -1.389 174.689 176.300 -0.371 0.000 0.963 969 R CA -0.177 55.500 56.100 -0.706 0.000 0.883 969 R CB 2.163 31.896 30.300 -0.945 0.000 1.171 969 R HN 0.822 nan 8.270 nan 0.000 0.450 970 T N 1.860 116.249 114.554 -0.276 0.000 2.916 970 T HA 0.307 4.657 4.350 0.001 0.000 0.305 970 T C -0.709 174.011 174.700 0.035 0.000 1.119 970 T CA -0.546 61.503 62.100 -0.085 0.000 1.008 970 T CB 1.927 70.778 68.868 -0.030 0.000 1.129 970 T HN 0.496 nan 8.240 nan 0.000 0.480 971 T N 2.524 117.121 114.554 0.071 0.000 2.918 971 T HA 0.554 4.905 4.350 0.001 0.000 0.283 971 T C -0.286 174.455 174.700 0.069 0.000 1.001 971 T CA -0.712 61.466 62.100 0.130 0.000 1.041 971 T CB 0.768 69.731 68.868 0.159 0.000 1.028 971 T HN 0.368 nan 8.240 nan 0.000 0.511 972 K N 1.859 122.276 120.400 0.028 0.000 2.507 972 K HA 0.504 4.825 4.320 0.001 0.000 0.252 972 K C -0.814 175.744 176.600 -0.069 0.000 0.943 972 K CA -0.480 55.804 56.287 -0.005 0.000 0.808 972 K CB 1.540 34.044 32.500 0.008 0.000 1.142 972 K HN 0.495 nan 8.250 nan 0.000 0.426 973 I N 4.608 125.142 120.570 -0.060 0.000 2.440 973 I HA 0.268 4.438 4.170 0.001 0.000 0.294 973 I C -1.846 174.256 176.117 -0.025 0.000 0.995 973 I CA -2.363 58.896 61.300 -0.068 0.000 1.306 973 I CB 1.174 39.140 38.000 -0.056 0.000 1.407 973 I HN 0.362 nan 8.210 nan 0.000 0.501 974 P HA 0.056 nan 4.420 nan 0.000 0.270 974 P C -1.005 176.326 177.300 0.051 0.000 1.242 974 P CA 0.061 63.215 63.100 0.090 0.000 0.768 974 P CB 1.068 32.900 31.700 0.220 0.000 0.820 975 Q N 2.566 122.381 119.800 0.025 0.000 2.427 975 Q HA 0.331 4.671 4.340 0.001 0.000 0.232 975 Q C 1.419 177.427 176.000 0.014 0.000 1.018 975 Q CA -0.938 54.868 55.803 0.005 0.000 0.965 975 Q CB 1.311 30.038 28.738 -0.018 0.000 1.232 975 Q HN 0.240 nan 8.270 nan 0.000 0.510 976 I N 0.212 120.781 120.570 -0.002 0.000 2.142 976 I HA -0.203 3.967 4.170 0.001 0.000 0.240 976 I C 1.887 178.002 176.117 -0.003 0.000 1.078 976 I CA 1.712 63.013 61.300 0.001 0.000 1.343 976 I CB -0.704 37.291 38.000 -0.009 0.000 1.046 976 I HN 0.928 nan 8.210 nan 0.000 0.405 977 G N 0.102 108.887 108.800 -0.025 0.000 2.422 977 G HA2 -0.190 3.770 3.960 0.001 0.000 0.218 977 G HA3 -0.190 3.770 3.960 0.001 0.000 0.218 977 G C 0.327 175.184 174.900 -0.071 0.000 1.146 977 G CA 0.225 45.298 45.100 -0.045 0.000 0.769 977 G HN 0.346 nan 8.290 nan 0.000 0.547 978 D N -0.061 120.282 120.400 -0.094 0.000 2.631 978 D HA 0.149 4.789 4.640 0.001 0.000 0.225 978 D C 0.519 176.652 176.300 -0.279 0.000 1.189 978 D CA 0.841 54.718 54.000 -0.206 0.000 0.871 978 D CB 0.623 41.281 40.800 -0.237 0.000 1.224 978 D HN 0.256 nan 8.370 nan 0.000 0.510 979 K N 0.846 120.971 120.400 -0.458 0.000 2.123 979 K HA 0.599 4.920 4.320 0.001 0.000 0.259 979 K C -1.289 174.811 176.600 -0.833 0.000 0.960 979 K CA -0.572 55.469 56.287 -0.410 0.000 0.872 979 K CB 0.715 33.086 32.500 -0.215 0.000 1.079 979 K HN 0.335 nan 8.250 nan 0.000 0.440 980 F N 0.707 120.595 119.950 -0.103 0.000 2.631 980 F HA 0.628 5.156 4.527 0.001 0.000 0.308 980 F C -0.660 175.173 175.800 0.054 0.000 1.097 980 F CA -0.769 57.163 58.000 -0.112 0.000 0.952 980 F CB 2.531 41.387 39.000 -0.239 0.000 1.307 980 F HN 0.610 nan 8.300 nan 0.000 0.450 981 A N 0.962 124.000 122.820 0.363 0.000 2.574 981 A HA 0.737 5.057 4.320 0.001 0.000 0.297 981 A C -0.725 176.945 177.584 0.143 0.000 1.062 981 A CA -0.422 51.800 52.037 0.308 0.000 0.686 981 A CB 1.421 20.500 19.000 0.133 0.000 1.285 981 A HN 0.874 nan 8.150 nan 0.000 0.403 982 S N 0.576 116.204 115.700 -0.120 0.000 2.646 982 S HA 0.543 5.014 4.470 0.001 0.000 0.273 982 S C 0.257 174.714 174.600 -0.238 0.000 1.168 982 S CA -0.484 57.386 58.200 -0.549 0.000 1.013 982 S CB 0.483 63.351 63.200 -0.553 0.000 1.098 982 S HN 0.610 nan 8.310 nan 0.000 0.544 983 R N 0.358 120.652 120.500 -0.344 0.000 2.978 983 R HA 0.320 4.661 4.340 0.001 0.000 0.298 983 R C -0.272 175.650 176.300 -0.630 0.000 1.296 983 R CA -0.084 55.778 56.100 -0.397 0.000 1.181 983 R CB -0.307 29.770 30.300 -0.373 0.000 1.348 983 R HN 0.570 nan 8.270 nan 0.000 0.585 984 H N -0.744 118.339 119.070 0.022 0.000 2.767 984 H HA 0.182 4.739 4.556 0.001 0.000 0.235 984 H C 0.746 176.122 175.328 0.079 0.000 1.256 984 H CA -0.103 55.987 56.048 0.069 0.000 0.957 984 H CB 1.153 31.003 29.762 0.146 0.000 2.117 984 H HN 0.459 nan 8.280 nan 0.000 0.602 985 G N 2.097 110.986 108.800 0.147 0.000 2.321 985 G HA2 -0.339 3.621 3.960 0.001 0.000 0.287 985 G HA3 -0.339 3.621 3.960 0.001 0.000 0.287 985 G C 0.542 175.563 174.900 0.201 0.000 1.018 985 G CA 0.540 45.761 45.100 0.202 0.000 0.855 985 G HN 0.356 nan 8.290 nan 0.000 0.507 986 Q N 0.289 120.210 119.800 0.202 0.000 2.936 986 Q HA 0.323 4.663 4.340 0.001 0.000 0.383 986 Q C 0.936 177.068 176.000 0.219 0.000 1.167 986 Q CA -0.276 55.652 55.803 0.209 0.000 1.038 986 Q CB -0.122 28.782 28.738 0.276 0.000 1.409 986 Q HN 0.733 nan 8.270 nan 0.000 0.448 987 K N -0.923 119.583 120.400 0.176 0.000 2.412 987 K HA 0.567 4.888 4.320 0.001 0.000 0.281 987 K C 0.083 176.761 176.600 0.130 0.000 1.027 987 K CA -0.104 56.271 56.287 0.146 0.000 0.989 987 K CB 0.790 33.348 32.500 0.096 0.000 0.935 987 K HN 0.251 nan 8.250 nan 0.000 0.475 988 G N 1.447 110.327 108.800 0.134 0.000 2.742 988 G HA2 0.424 4.385 3.960 0.001 0.000 0.296 988 G HA3 0.424 4.385 3.960 0.001 0.000 0.296 988 G C -1.070 173.886 174.900 0.092 0.000 1.436 988 G CA -0.811 44.350 45.100 0.101 0.000 0.928 988 G HN 0.699 nan 8.290 nan 0.000 0.520 989 T N -1.070 113.516 114.554 0.055 0.000 2.952 989 T HA 0.715 5.065 4.350 0.001 0.000 0.286 989 T C 0.493 175.236 174.700 0.073 0.000 1.024 989 T CA -0.740 61.390 62.100 0.048 0.000 1.029 989 T CB 1.225 70.086 68.868 -0.013 0.000 1.094 989 T HN 0.471 nan 8.240 nan 0.000 0.515 990 I N 1.621 122.250 120.570 0.098 0.000 2.692 990 I HA 0.326 4.497 4.170 0.001 0.000 0.284 990 I C 1.552 177.698 176.117 0.047 0.000 1.159 990 I CA -0.013 61.333 61.300 0.077 0.000 1.423 990 I CB 0.606 38.661 38.000 0.093 0.000 1.380 990 I HN 0.998 nan 8.210 nan 0.000 0.580 991 G N 6.222 115.058 108.800 0.059 0.000 2.692 991 G HA2 0.287 4.247 3.960 0.001 0.000 0.209 991 G HA3 0.287 4.247 3.960 0.001 0.000 0.209 991 G C 0.209 175.168 174.900 0.098 0.000 1.166 991 G CA 0.239 45.386 45.100 0.079 0.000 0.844 991 G HN 0.536 nan 8.290 nan 0.000 0.596 992 I N 0.346 120.955 120.570 0.065 0.000 3.102 992 I HA 0.535 4.705 4.170 0.001 0.000 0.310 992 I C -1.301 174.709 176.117 -0.177 0.000 1.246 992 I CA -0.876 60.374 61.300 -0.082 0.000 0.979 992 I CB 2.530 40.397 38.000 -0.222 0.000 1.267 992 I HN 0.204 nan 8.210 nan 0.000 0.451 993 T N 0.968 115.370 114.554 -0.254 0.000 2.841 993 T HA 0.637 4.987 4.350 0.001 0.000 0.283 993 T C -1.172 173.374 174.700 -0.256 0.000 1.000 993 T CA -0.386 61.615 62.100 -0.165 0.000 0.977 993 T CB 1.171 69.994 68.868 -0.075 0.000 0.979 993 T HN 0.472 nan 8.240 nan 0.000 0.446 994 Y N 0.460 120.754 120.300 -0.009 0.000 2.630 994 Y HA 0.721 5.271 4.550 0.001 0.000 0.337 994 Y C 0.945 176.853 175.900 0.014 0.000 1.051 994 Y CA -1.496 56.606 58.100 0.002 0.000 1.121 994 Y CB 2.089 40.562 38.460 0.021 0.000 1.299 994 Y HN 0.559 nan 8.280 nan 0.000 0.498 995 R N -0.397 120.241 120.500 0.231 0.000 2.944 995 R HA 0.459 4.799 4.340 0.001 0.000 0.233 995 R C 0.943 177.310 176.300 0.111 0.000 1.346 995 R CA -0.876 55.301 56.100 0.129 0.000 1.082 995 R CB 0.886 31.244 30.300 0.096 0.000 1.434 995 R HN 0.641 nan 8.270 nan 0.000 0.510 996 R N 0.874 121.421 120.500 0.079 0.000 2.105 996 R HA -0.172 4.169 4.340 0.001 0.000 0.239 996 R C 1.580 177.933 176.300 0.088 0.000 1.135 996 R CA 1.778 57.923 56.100 0.075 0.000 0.967 996 R CB -0.147 30.183 30.300 0.049 0.000 0.861 996 R HN 0.523 nan 8.270 nan 0.000 0.442 997 E N 0.451 120.699 120.200 0.079 0.000 2.153 997 E HA -0.160 4.190 4.350 0.001 0.000 0.194 997 E C 1.088 177.742 176.600 0.091 0.000 0.988 997 E CA 1.257 57.710 56.400 0.089 0.000 0.811 997 E CB -0.052 29.696 29.700 0.081 0.000 0.746 997 E HN 0.351 nan 8.360 nan 0.000 0.466 998 D N -0.498 119.940 120.400 0.064 0.000 2.327 998 D HA 0.062 4.702 4.640 0.001 0.000 0.205 998 D C 0.505 176.709 176.300 -0.159 0.000 0.989 998 D CA 0.061 54.020 54.000 -0.068 0.000 0.873 998 D CB 0.006 40.820 40.800 0.023 0.000 0.955 998 D HN 0.168 nan 8.370 nan 0.000 0.515 999 M N 2.488 122.078 119.600 -0.018 0.000 2.238 999 M HA 0.159 4.640 4.480 0.001 0.000 0.347 999 M C -2.393 173.874 176.300 -0.056 0.000 1.173 999 M CA -1.397 53.897 55.300 -0.011 0.000 1.147 999 M CB 0.978 33.596 32.600 0.029 0.000 1.547 999 M HN -0.252 nan 8.290 nan 0.000 0.455 1000 P HA 0.198 nan 4.420 nan 0.000 0.280 1000 P C -1.561 175.641 177.300 -0.163 0.000 1.244 1000 P CA -0.100 62.723 63.100 -0.461 0.000 0.784 1000 P CB 0.167 31.315 31.700 -0.919 0.000 0.913 1001 F N -0.510 119.441 119.950 0.001 0.000 2.579 1001 F HA 0.724 5.252 4.527 0.001 0.000 0.324 1001 F C -0.107 175.764 175.800 0.117 0.000 1.058 1001 F CA -1.444 56.595 58.000 0.065 0.000 0.944 1001 F CB 0.897 39.913 39.000 0.026 0.000 1.245 1001 F HN 0.263 nan 8.300 nan 0.000 0.477 1002 T N 0.626 115.387 114.554 0.345 0.000 2.837 1002 T HA 0.537 4.888 4.350 0.001 0.000 0.285 1002 T C 1.150 176.029 174.700 0.298 0.000 0.984 1002 T CA -0.106 62.117 62.100 0.205 0.000 1.049 1002 T CB 1.260 70.038 68.868 -0.150 0.000 0.947 1002 T HN 1.172 nan 8.240 nan 0.000 0.472 1003 A N 3.646 126.655 122.820 0.315 0.000 1.954 1003 A HA -0.191 4.130 4.320 0.001 0.000 0.222 1003 A C 2.183 179.799 177.584 0.055 0.000 1.199 1003 A CA 2.187 54.318 52.037 0.157 0.000 0.657 1003 A CB -0.900 18.211 19.000 0.185 0.000 0.823 1003 A HN 0.960 nan 8.150 nan 0.000 0.463 1004 E N -1.983 118.256 120.200 0.064 0.000 2.147 1004 E HA -0.124 4.227 4.350 0.001 0.000 0.199 1004 E C 1.695 178.292 176.600 -0.006 0.000 1.005 1004 E CA 1.526 57.947 56.400 0.035 0.000 0.810 1004 E CB -0.321 29.402 29.700 0.038 0.000 0.736 1004 E HN 0.900 nan 8.360 nan 0.000 0.460 1005 G N 0.604 109.398 108.800 -0.009 0.000 2.909 1005 G HA2 -0.227 3.733 3.960 0.001 0.000 0.198 1005 G HA3 -0.227 3.733 3.960 0.001 0.000 0.198 1005 G C 0.525 175.429 174.900 0.008 0.000 1.124 1005 G CA -0.100 44.970 45.100 -0.050 0.000 0.796 1005 G HN 0.238 nan 8.290 nan 0.000 0.489 1006 I N 0.883 121.456 120.570 0.006 0.000 3.160 1006 I HA 0.331 4.502 4.170 0.001 0.000 0.311 1006 I C 0.514 176.739 176.117 0.181 0.000 1.218 1006 I CA 0.049 61.379 61.300 0.049 0.000 1.440 1006 I CB 0.264 38.222 38.000 -0.070 0.000 1.310 1006 I HN 0.315 nan 8.210 nan 0.000 0.575 1007 V N 5.946 126.019 119.914 0.265 0.000 2.851 1007 V HA 0.497 4.617 4.120 0.001 0.000 0.307 1007 V C -2.264 173.938 176.094 0.180 0.000 1.129 1007 V CA -1.553 60.916 62.300 0.282 0.000 0.932 1007 V CB 2.551 34.475 31.823 0.168 0.000 1.024 1007 V HN 0.835 nan 8.190 nan 0.000 0.426 1008 P HA 0.216 nan 4.420 nan 0.000 0.269 1008 P C -0.461 176.746 177.300 -0.155 0.000 1.209 1008 P CA 0.206 63.116 63.100 -0.317 0.000 0.776 1008 P CB 1.078 32.433 31.700 -0.576 0.000 0.876 1009 D N 0.502 120.806 120.400 -0.160 0.000 2.262 1009 D HA 0.063 4.703 4.640 0.001 0.000 0.212 1009 D C 0.724 176.942 176.300 -0.137 0.000 0.964 1009 D CA 1.008 54.943 54.000 -0.107 0.000 0.875 1009 D CB 0.268 41.014 40.800 -0.091 0.000 0.996 1009 D HN 0.167 nan 8.370 nan 0.000 0.497 1010 L N -0.080 121.027 121.223 -0.193 0.000 2.299 1010 L HA 0.479 4.819 4.340 0.001 0.000 0.268 1010 L C 0.017 176.780 176.870 -0.179 0.000 1.012 1010 L CA -0.723 53.988 54.840 -0.216 0.000 0.816 1010 L CB 1.668 43.534 42.059 -0.321 0.000 1.355 1010 L HN -0.120 nan 8.230 nan 0.000 0.457 1011 I N 1.995 122.488 120.570 -0.128 0.000 2.719 1011 I HA 0.164 4.334 4.170 0.001 0.000 0.319 1011 I C -0.223 175.877 176.117 -0.028 0.000 1.522 1011 I CA -0.185 61.065 61.300 -0.083 0.000 0.785 1011 I CB 0.496 38.485 38.000 -0.018 0.000 2.022 1011 I HN 0.432 nan 8.210 nan 0.000 0.579 1012 I N -1.153 119.397 120.570 -0.033 0.000 2.710 1012 I HA 0.152 4.323 4.170 0.001 0.000 0.286 1012 I C 0.638 176.766 176.117 0.018 0.000 1.181 1012 I CA 0.336 61.644 61.300 0.013 0.000 1.430 1012 I CB 0.381 38.416 38.000 0.058 0.000 1.367 1012 I HN 0.324 nan 8.210 nan 0.000 0.577 1013 N N 8.426 127.151 118.700 0.042 0.000 2.483 1013 N HA 0.101 4.841 4.740 0.001 0.000 0.264 1013 N C -1.362 174.144 175.510 -0.006 0.000 1.197 1013 N CA -1.560 51.518 53.050 0.047 0.000 0.927 1013 N CB 1.094 39.651 38.487 0.117 0.000 1.065 1013 N HN 0.513 nan 8.380 nan 0.000 0.461 1014 P HA -0.178 nan 4.420 nan 0.000 0.218 1014 P C 0.800 177.999 177.300 -0.169 0.000 1.146 1014 P CA 1.401 64.400 63.100 -0.167 0.000 0.813 1014 P CB 0.053 31.608 31.700 -0.242 0.000 0.778 1015 H N 0.415 119.474 119.070 -0.020 0.000 2.421 1015 H HA 0.053 4.609 4.556 0.001 0.000 0.298 1015 H C 1.641 176.953 175.328 -0.026 0.000 1.087 1015 H CA 1.353 57.389 56.048 -0.019 0.000 1.330 1015 H CB -0.580 29.178 29.762 -0.007 0.000 1.388 1015 H HN 0.151 nan 8.280 nan 0.000 0.526 1016 A N 0.753 123.622 122.820 0.082 0.000 2.268 1016 A HA 0.062 4.383 4.320 0.001 0.000 0.221 1016 A C 1.646 179.214 177.584 -0.027 0.000 1.287 1016 A CA 0.273 52.329 52.037 0.032 0.000 0.902 1016 A CB -0.494 18.525 19.000 0.031 0.000 0.877 1016 A HN 0.158 nan 8.150 nan 0.000 0.487 1017 I N -0.991 119.554 120.570 -0.041 0.000 3.570 1017 I HA 0.090 4.261 4.170 0.001 0.000 0.270 1017 I C -0.844 175.240 176.117 -0.055 0.000 1.162 1017 I CA -0.131 61.119 61.300 -0.083 0.000 1.413 1017 I CB -1.611 36.311 38.000 -0.130 0.000 1.437 1017 I HN 0.046 nan 8.210 nan 0.000 0.457 1018 P HA -0.145 nan 4.420 nan 0.000 0.208 1018 P C 1.912 179.203 177.300 -0.014 0.000 1.189 1018 P CA 2.581 65.670 63.100 -0.020 0.000 0.931 1018 P CB -0.109 31.593 31.700 0.004 0.000 0.783 1019 S N -0.973 114.727 115.700 -0.001 0.000 2.419 1019 S HA -0.155 4.315 4.470 0.001 0.000 0.235 1019 S C 1.867 176.458 174.600 -0.015 0.000 1.019 1019 S CA 0.927 59.125 58.200 -0.004 0.000 0.982 1019 S CB -0.868 62.335 63.200 0.004 0.000 0.789 1019 S HN 0.017 nan 8.310 nan 0.000 0.490 1020 R N 0.659 121.147 120.500 -0.020 0.000 2.119 1020 R HA 0.253 4.594 4.340 0.001 0.000 0.222 1020 R C 0.866 177.144 176.300 -0.037 0.000 1.088 1020 R CA 0.512 56.593 56.100 -0.032 0.000 0.984 1020 R CB -0.846 29.437 30.300 -0.028 0.000 0.884 1020 R HN 0.499 nan 8.270 nan 0.000 0.447 1021 M N 1.343 120.923 119.600 -0.034 0.000 2.350 1021 M HA -0.172 4.309 4.480 0.001 0.000 0.190 1021 M C -0.338 175.948 176.300 -0.024 0.000 0.710 1021 M CA 0.855 56.137 55.300 -0.029 0.000 0.495 1021 M CB -1.444 31.144 32.600 -0.020 0.000 1.136 1021 M HN 0.048 nan 8.290 nan 0.000 0.901 1022 T N -0.470 114.062 114.554 -0.037 0.000 3.060 1022 T HA 0.541 4.892 4.350 0.001 0.000 0.367 1022 T C 0.650 175.310 174.700 -0.067 0.000 1.229 1022 T CA -0.644 61.439 62.100 -0.029 0.000 1.104 1022 T CB 0.611 69.472 68.868 -0.011 0.000 1.083 1022 T HN 0.211 nan 8.240 nan 0.000 0.524 1023 V N 4.178 124.066 119.914 -0.044 0.000 2.725 1023 V HA 0.136 4.256 4.120 0.001 0.000 0.247 1023 V C 2.908 178.945 176.094 -0.094 0.000 1.058 1023 V CA 1.334 63.587 62.300 -0.077 0.000 1.080 1023 V CB -0.850 30.932 31.823 -0.069 0.000 0.713 1023 V HN 0.892 nan 8.190 nan 0.000 0.465 1024 A N -0.213 122.588 122.820 -0.032 0.000 2.084 1024 A HA -0.322 3.998 4.320 0.001 0.000 0.221 1024 A C 2.173 179.648 177.584 -0.182 0.000 1.161 1024 A CA 2.178 54.245 52.037 0.050 0.000 0.653 1024 A CB -0.836 18.349 19.000 0.309 0.000 0.802 1024 A HN 0.699 nan 8.150 nan 0.000 0.457 1025 H N 0.256 118.906 119.070 -0.700 0.000 2.276 1025 H HA -0.041 4.516 4.556 0.001 0.000 0.301 1025 H C 1.890 177.157 175.328 -0.101 0.000 1.073 1025 H CA 1.986 57.624 56.048 -0.683 0.000 1.311 1025 H CB -0.438 29.046 29.762 -0.464 0.000 1.379 1025 H HN 0.433 nan 8.280 nan 0.000 0.494 1026 L N 0.366 121.685 121.223 0.159 0.000 2.129 1026 L HA -0.211 4.129 4.340 0.001 0.000 0.212 1026 L C 2.872 179.864 176.870 0.205 0.000 1.087 1026 L CA 1.125 56.062 54.840 0.161 0.000 0.757 1026 L CB -0.371 41.573 42.059 -0.191 0.000 0.896 1026 L HN 0.281 nan 8.230 nan 0.000 0.434 1027 I N -0.449 120.151 120.570 0.051 0.000 2.286 1027 I HA -0.262 3.909 4.170 0.001 0.000 0.245 1027 I C 2.592 178.840 176.117 0.219 0.000 1.104 1027 I CA 1.240 62.542 61.300 0.004 0.000 1.397 1027 I CB -0.380 37.390 38.000 -0.383 0.000 1.072 1027 I HN 0.339 nan 8.210 nan 0.000 0.417 1028 E N 0.505 120.888 120.200 0.305 0.000 2.209 1028 E HA -0.291 4.059 4.350 0.001 0.000 0.196 1028 E C 2.318 179.024 176.600 0.177 0.000 0.993 1028 E CA 1.387 57.958 56.400 0.284 0.000 0.819 1028 E CB -0.037 29.799 29.700 0.228 0.000 0.745 1028 E HN 0.567 nan 8.360 nan 0.000 0.477 1029 C N -0.178 119.236 119.300 0.190 0.000 2.476 1029 C HA -0.032 4.429 4.460 0.001 0.000 0.278 1029 C C 2.520 177.561 174.990 0.086 0.000 1.274 1029 C CA 0.440 59.526 59.018 0.112 0.000 1.713 1029 C CB -1.020 26.791 27.740 0.118 0.000 2.039 1029 C HN 0.536 nan 8.230 nan 0.000 0.484 1030 L N 0.865 122.213 121.223 0.208 0.000 1.976 1030 L HA -0.029 4.312 4.340 0.001 0.000 0.209 1030 L C 2.297 179.242 176.870 0.126 0.000 1.071 1030 L CA 1.878 56.821 54.840 0.171 0.000 0.746 1030 L CB -1.091 41.105 42.059 0.229 0.000 0.890 1030 L HN 0.386 nan 8.230 nan 0.000 0.432 1031 L N -1.495 119.824 121.223 0.160 0.000 2.189 1031 L HA -0.188 4.152 4.340 0.001 0.000 0.214 1031 L C 2.275 179.207 176.870 0.104 0.000 1.097 1031 L CA 1.818 56.756 54.840 0.164 0.000 0.764 1031 L CB -0.690 41.541 42.059 0.287 0.000 0.900 1031 L HN 0.244 nan 8.230 nan 0.000 0.436 1032 S N -1.318 114.431 115.700 0.082 0.000 2.458 1032 S HA -0.039 4.431 4.470 0.001 0.000 0.223 1032 S C 1.855 176.460 174.600 0.008 0.000 1.019 1032 S CA 0.456 58.678 58.200 0.037 0.000 0.937 1032 S CB -0.027 63.194 63.200 0.035 0.000 0.788 1032 S HN 0.432 nan 8.310 nan 0.000 0.511 1033 K N 1.076 121.477 120.400 0.002 0.000 2.365 1033 K HA 0.032 4.353 4.320 0.001 0.000 0.199 1033 K C 1.519 178.101 176.600 -0.031 0.000 1.045 1033 K CA 0.550 56.816 56.287 -0.035 0.000 0.962 1033 K CB 0.078 32.542 32.500 -0.060 0.000 0.759 1033 K HN 0.134 nan 8.250 nan 0.000 0.469 1034 V N 0.603 120.517 119.914 -0.001 0.000 2.300 1034 V HA -0.099 4.021 4.120 0.001 0.000 0.233 1034 V C 2.020 178.082 176.094 -0.054 0.000 1.052 1034 V CA 1.691 63.980 62.300 -0.019 0.000 1.026 1034 V CB -0.597 31.259 31.823 0.056 0.000 0.661 1034 V HN 0.376 nan 8.190 nan 0.000 0.470 1035 A N -0.087 122.730 122.820 -0.005 0.000 2.214 1035 A HA -0.198 4.123 4.320 0.001 0.000 0.221 1035 A C 2.149 179.714 177.584 -0.032 0.000 1.167 1035 A CA 2.181 54.212 52.037 -0.009 0.000 0.670 1035 A CB -0.709 18.293 19.000 0.004 0.000 0.797 1035 A HN 0.681 nan 8.150 nan 0.000 0.477 1036 A N -0.963 121.830 122.820 -0.045 0.000 1.975 1036 A HA 0.262 4.583 4.320 0.001 0.000 0.215 1036 A C 2.008 179.556 177.584 -0.059 0.000 1.170 1036 A CA 1.132 53.144 52.037 -0.043 0.000 0.656 1036 A CB -0.230 18.748 19.000 -0.036 0.000 0.821 1036 A HN 0.468 nan 8.150 nan 0.000 0.449 1037 L N -0.287 120.862 121.223 -0.122 0.000 2.253 1037 L HA -0.013 4.327 4.340 0.001 0.000 0.205 1037 L C 2.712 179.491 176.870 -0.152 0.000 1.078 1037 L CA 1.207 55.940 54.840 -0.179 0.000 0.805 1037 L CB -0.181 41.644 42.059 -0.390 0.000 0.963 1037 L HN 0.482 nan 8.230 nan 0.000 0.459 1038 S N -0.497 115.114 115.700 -0.147 0.000 2.470 1038 S HA 0.096 4.566 4.470 0.001 0.000 0.225 1038 S C 1.654 176.267 174.600 0.022 0.000 1.006 1038 S CA 0.496 58.708 58.200 0.020 0.000 0.934 1038 S CB 0.180 63.437 63.200 0.095 0.000 0.778 1038 S HN 0.486 nan 8.310 nan 0.000 0.517 1039 G N 1.543 110.338 108.800 -0.007 0.000 2.153 1039 G HA2 -0.226 3.735 3.960 0.001 0.000 0.252 1039 G HA3 -0.226 3.735 3.960 0.001 0.000 0.252 1039 G C -0.255 174.646 174.900 0.002 0.000 0.994 1039 G CA 0.080 45.177 45.100 -0.004 0.000 0.698 1039 G HN 0.538 nan 8.290 nan 0.000 0.521 1040 N N 0.857 119.562 118.700 0.009 0.000 2.437 1040 N HA 0.252 4.993 4.740 0.001 0.000 0.259 1040 N C 0.091 175.604 175.510 0.004 0.000 0.983 1040 N CA -0.333 52.726 53.050 0.014 0.000 0.937 1040 N CB 1.174 39.682 38.487 0.035 0.000 1.122 1040 N HN 0.507 nan 8.380 nan 0.000 0.499 1041 E N 1.699 121.893 120.200 -0.010 0.000 2.188 1041 E HA -0.031 4.320 4.350 0.001 0.000 0.243 1041 E C 0.347 176.939 176.600 -0.013 0.000 1.269 1041 E CA -0.255 56.130 56.400 -0.025 0.000 0.979 1041 E CB -0.130 29.545 29.700 -0.042 0.000 1.076 1041 E HN 0.536 nan 8.360 nan 0.000 0.452 1042 G N 4.361 113.162 108.800 0.002 0.000 2.305 1042 G HA2 -0.108 3.853 3.960 0.001 0.000 0.243 1042 G HA3 -0.108 3.853 3.960 0.001 0.000 0.243 1042 G C -0.277 174.627 174.900 0.007 0.000 1.288 1042 G CA -0.380 44.739 45.100 0.031 0.000 0.901 1042 G HN 0.619 nan 8.290 nan 0.000 0.516 1043 D N 0.991 121.409 120.400 0.029 0.000 2.264 1043 D HA 0.503 5.143 4.640 0.001 0.000 0.250 1043 D C 0.763 177.042 176.300 -0.035 0.000 1.113 1043 D CA 0.167 54.160 54.000 -0.012 0.000 0.871 1043 D CB 1.243 42.060 40.800 0.029 0.000 1.167 1043 D HN 0.322 nan 8.370 nan 0.000 0.447 1044 A N 2.532 125.184 122.820 -0.281 0.000 2.508 1044 A HA 0.239 4.560 4.320 0.001 0.000 0.250 1044 A C 0.799 177.996 177.584 -0.644 0.000 1.208 1044 A CA -0.336 51.144 52.037 -0.929 0.000 0.960 1044 A CB 0.041 18.289 19.000 -1.253 0.000 1.099 1044 A HN 0.481 nan 8.150 nan 0.000 0.542 1045 S N 2.181 117.752 115.700 -0.215 0.000 2.536 1045 S HA 0.056 4.526 4.470 0.001 0.000 0.294 1045 S C -1.306 173.301 174.600 0.012 0.000 1.289 1045 S CA -0.067 58.103 58.200 -0.050 0.000 1.035 1045 S CB 0.330 63.601 63.200 0.118 0.000 0.783 1045 S HN 0.334 nan 8.310 nan 0.000 0.497 1046 P HA -0.171 nan 4.420 nan 0.000 0.227 1046 P C -0.173 177.004 177.300 -0.205 0.000 0.988 1046 P CA 1.310 64.223 63.100 -0.312 0.000 1.033 1046 P CB -0.015 31.433 31.700 -0.420 0.000 0.631 1047 F N -1.118 118.923 119.950 0.152 0.000 2.350 1047 F HA 0.485 5.012 4.527 0.001 0.000 0.365 1047 F C 0.991 176.914 175.800 0.206 0.000 1.122 1047 F CA -0.609 57.474 58.000 0.139 0.000 1.139 1047 F CB -0.830 38.203 39.000 0.055 0.000 1.220 1047 F HN 0.031 nan 8.300 nan 0.000 0.499 1048 T N -2.328 112.465 114.554 0.398 0.000 2.645 1048 T HA 0.387 4.737 4.350 0.001 0.000 0.273 1048 T C -0.181 174.686 174.700 0.279 0.000 0.960 1048 T CA -0.846 61.467 62.100 0.356 0.000 1.051 1048 T CB 1.720 70.802 68.868 0.356 0.000 1.366 1048 T HN 0.361 nan 8.240 nan 0.000 0.536 1049 D N 0.611 121.153 120.400 0.237 0.000 2.722 1049 D HA 0.350 4.991 4.640 0.001 0.000 0.239 1049 D C -0.160 176.242 176.300 0.170 0.000 1.249 1049 D CA 0.016 54.126 54.000 0.184 0.000 0.830 1049 D CB -0.011 40.880 40.800 0.151 0.000 1.025 1049 D HN 0.442 nan 8.370 nan 0.000 0.486 1050 I N 0.655 121.345 120.570 0.201 0.000 2.488 1050 I HA 0.208 4.379 4.170 0.001 0.000 0.299 1050 I C 0.892 177.079 176.117 0.117 0.000 0.984 1050 I CA -0.336 61.067 61.300 0.171 0.000 1.250 1050 I CB 1.796 39.938 38.000 0.237 0.000 1.389 1050 I HN -0.132 nan 8.210 nan 0.000 0.488 1051 T N 0.724 115.316 114.554 0.064 0.000 2.887 1051 T HA 0.393 4.744 4.350 0.001 0.000 0.292 1051 T C 0.662 175.342 174.700 -0.033 0.000 1.087 1051 T CA -0.774 61.335 62.100 0.016 0.000 1.009 1051 T CB 1.703 70.593 68.868 0.037 0.000 1.203 1051 T HN 0.177 nan 8.240 nan 0.000 0.518 1052 V N 0.723 120.596 119.914 -0.069 0.000 2.453 1052 V HA -0.059 4.062 4.120 0.001 0.000 0.247 1052 V C 2.699 178.786 176.094 -0.011 0.000 1.048 1052 V CA 1.411 63.667 62.300 -0.073 0.000 1.049 1052 V CB -0.819 30.947 31.823 -0.094 0.000 0.672 1052 V HN 0.836 nan 8.190 nan 0.000 0.457 1053 E N 0.915 121.116 120.200 0.002 0.000 2.150 1053 E HA -0.119 4.232 4.350 0.001 0.000 0.193 1053 E C 2.314 178.933 176.600 0.031 0.000 0.985 1053 E CA 1.347 57.758 56.400 0.018 0.000 0.814 1053 E CB -0.451 29.261 29.700 0.020 0.000 0.752 1053 E HN 0.622 nan 8.360 nan 0.000 0.466 1054 G N 1.049 109.871 108.800 0.036 0.000 2.394 1054 G HA2 -0.169 3.792 3.960 0.001 0.000 0.214 1054 G HA3 -0.169 3.792 3.960 0.001 0.000 0.214 1054 G C 1.746 176.683 174.900 0.062 0.000 1.176 1054 G CA 0.302 45.434 45.100 0.052 0.000 0.786 1054 G HN 0.174 nan 8.290 nan 0.000 0.533 1055 I N 0.954 121.560 120.570 0.060 0.000 2.252 1055 I HA -0.147 4.023 4.170 0.001 0.000 0.245 1055 I C 3.010 179.180 176.117 0.089 0.000 1.102 1055 I CA 0.880 62.228 61.300 0.080 0.000 1.385 1055 I CB -0.298 37.746 38.000 0.075 0.000 1.064 1055 I HN 0.099 nan 8.210 nan 0.000 0.414 1056 S N 0.963 116.707 115.700 0.074 0.000 2.365 1056 S HA -0.246 4.224 4.470 0.001 0.000 0.225 1056 S C 1.946 176.593 174.600 0.078 0.000 1.039 1056 S CA 1.596 59.844 58.200 0.080 0.000 1.033 1056 S CB -0.267 62.968 63.200 0.058 0.000 0.887 1056 S HN 0.386 nan 8.310 nan 0.000 0.447 1057 K N 0.609 121.046 120.400 0.062 0.000 2.103 1057 K HA -0.024 4.296 4.320 0.001 0.000 0.207 1057 K C 2.016 178.654 176.600 0.064 0.000 1.048 1057 K CA 0.987 57.305 56.287 0.052 0.000 0.930 1057 K CB -0.313 32.211 32.500 0.040 0.000 0.716 1057 K HN 0.291 nan 8.250 nan 0.000 0.444 1058 L N 0.343 121.620 121.223 0.090 0.000 2.156 1058 L HA -0.140 4.200 4.340 0.001 0.000 0.208 1058 L C 2.182 179.182 176.870 0.216 0.000 1.095 1058 L CA 0.422 55.339 54.840 0.128 0.000 0.770 1058 L CB -0.071 42.070 42.059 0.137 0.000 0.914 1058 L HN 0.143 nan 8.230 nan 0.000 0.439 1059 L N -0.699 120.639 121.223 0.193 0.000 2.341 1059 L HA -0.057 4.284 4.340 0.001 0.000 0.214 1059 L C 2.481 179.475 176.870 0.206 0.000 1.115 1059 L CA 1.106 56.090 54.840 0.240 0.000 0.820 1059 L CB -0.329 41.843 42.059 0.189 0.000 0.944 1059 L HN 0.032 nan 8.230 nan 0.000 0.452 1060 R N 0.328 120.903 120.500 0.125 0.000 2.090 1060 R HA -0.083 4.258 4.340 0.001 0.000 0.228 1060 R C 1.973 178.287 176.300 0.023 0.000 1.110 1060 R CA 1.422 57.565 56.100 0.073 0.000 0.973 1060 R CB -0.356 29.971 30.300 0.045 0.000 0.869 1060 R HN 0.449 nan 8.270 nan 0.000 0.440 1061 E N -0.867 119.326 120.200 -0.011 0.000 2.401 1061 E HA -0.148 4.202 4.350 0.001 0.000 0.199 1061 E C 0.610 177.060 176.600 -0.251 0.000 1.023 1061 E CA 0.590 56.910 56.400 -0.133 0.000 0.859 1061 E CB 0.007 29.597 29.700 -0.183 0.000 0.780 1061 E HN 0.503 nan 8.360 nan 0.000 0.523 1062 H N -1.348 117.712 119.070 -0.017 0.000 2.549 1062 H HA 0.154 4.710 4.556 0.001 0.000 0.279 1062 H C 1.378 176.572 175.328 -0.224 0.000 1.018 1062 H CA 0.713 56.722 56.048 -0.066 0.000 1.175 1062 H CB 1.241 31.017 29.762 0.023 0.000 1.485 1062 H HN 0.329 nan 8.280 nan 0.000 0.543 1063 G N 0.609 109.349 108.800 -0.100 0.000 2.253 1063 G HA2 -0.295 3.665 3.960 0.001 0.000 0.251 1063 G HA3 -0.295 3.665 3.960 0.001 0.000 0.251 1063 G C 0.016 174.806 174.900 -0.184 0.000 0.998 1063 G CA 0.094 45.074 45.100 -0.199 0.000 0.621 1063 G HN 0.425 nan 8.290 nan 0.000 0.524 1064 Y N 0.646 120.982 120.300 0.060 0.000 2.335 1064 Y HA 0.551 5.102 4.550 0.001 0.000 0.323 1064 Y C 0.943 176.874 175.900 0.052 0.000 1.224 1064 Y CA -0.626 57.499 58.100 0.041 0.000 1.241 1064 Y CB 0.761 39.238 38.460 0.028 0.000 1.235 1064 Y HN 0.253 nan 8.280 nan 0.000 0.492 1065 Q N 1.207 121.150 119.800 0.239 0.000 2.394 1065 Q HA -0.129 4.211 4.340 0.001 0.000 0.347 1065 Q C 0.857 176.950 176.000 0.154 0.000 1.144 1065 Q CA 0.781 56.676 55.803 0.153 0.000 1.050 1065 Q CB 0.694 29.527 28.738 0.159 0.000 1.188 1065 Q HN 0.758 nan 8.270 nan 0.000 0.406 1066 S N 3.163 118.923 115.700 0.099 0.000 2.555 1066 S HA 0.039 4.510 4.470 0.001 0.000 0.230 1066 S C 0.587 175.257 174.600 0.117 0.000 0.978 1066 S CA 0.387 58.644 58.200 0.095 0.000 0.934 1066 S CB 0.181 63.412 63.200 0.051 0.000 0.766 1066 S HN 0.637 nan 8.310 nan 0.000 0.533 1067 R N 0.242 120.832 120.500 0.151 0.000 2.565 1067 R HA 0.416 4.756 4.340 0.001 0.000 0.347 1067 R C 1.499 178.112 176.300 0.521 0.000 1.010 1067 R CA 0.352 56.596 56.100 0.241 0.000 1.126 1067 R CB -0.163 30.196 30.300 0.099 0.000 1.331 1067 R HN 0.506 nan 8.270 nan 0.000 0.552 1068 G N 0.904 109.956 108.800 0.419 0.000 2.659 1068 G HA2 -0.313 3.648 3.960 0.001 0.000 0.212 1068 G HA3 -0.313 3.648 3.960 0.001 0.000 0.212 1068 G C 0.304 175.409 174.900 0.342 0.000 1.226 1068 G CA -0.189 45.134 45.100 0.372 0.000 0.739 1068 G HN 0.141 nan 8.290 nan 0.000 0.528 1069 F N 2.091 122.167 119.950 0.209 0.000 2.711 1069 F HA 0.417 4.944 4.527 0.001 0.000 0.299 1069 F C 1.274 177.097 175.800 0.038 0.000 1.110 1069 F CA 1.130 59.212 58.000 0.136 0.000 1.307 1069 F CB 0.097 39.170 39.000 0.122 0.000 1.028 1069 F HN 0.462 nan 8.300 nan 0.000 0.643 1070 E N -1.226 119.109 120.200 0.225 0.000 2.396 1070 E HA 0.400 4.751 4.350 0.001 0.000 0.280 1070 E C -1.785 174.856 176.600 0.069 0.000 1.065 1070 E CA -0.822 55.626 56.400 0.080 0.000 0.831 1070 E CB 2.377 32.019 29.700 -0.096 0.000 1.272 1070 E HN 0.189 nan 8.360 nan 0.000 0.443 1071 V N 2.009 121.945 119.914 0.037 0.000 2.567 1071 V HA 0.496 4.617 4.120 0.001 0.000 0.289 1071 V C 0.168 176.230 176.094 -0.053 0.000 1.049 1071 V CA -0.112 62.170 62.300 -0.029 0.000 0.969 1071 V CB 0.993 32.781 31.823 -0.057 0.000 0.995 1071 V HN 0.588 nan 8.190 nan 0.000 0.471 1072 M N 2.978 122.472 119.600 -0.177 0.000 2.658 1072 M HA 0.593 5.073 4.480 0.001 0.000 0.295 1072 M C -1.818 174.205 176.300 -0.461 0.000 1.248 1072 M CA -0.627 54.566 55.300 -0.178 0.000 0.843 1072 M CB 2.845 35.359 32.600 -0.144 0.000 1.749 1072 M HN 0.532 nan 8.290 nan 0.000 0.464 1073 Y N 0.178 120.104 120.300 -0.623 0.000 2.393 1073 Y HA 0.304 4.854 4.550 0.001 0.000 0.341 1073 Y C 0.252 175.720 175.900 -0.721 0.000 0.988 1073 Y CA -1.352 56.341 58.100 -0.679 0.000 1.078 1073 Y CB 0.839 38.840 38.460 -0.765 0.000 1.203 1073 Y HN 0.536 nan 8.280 nan 0.000 0.453 1074 N N 2.026 120.599 118.700 -0.212 0.000 2.412 1074 N HA -0.060 4.680 4.740 0.001 0.000 0.279 1074 N C 1.245 176.714 175.510 -0.069 0.000 1.287 1074 N CA 0.846 53.851 53.050 -0.075 0.000 0.948 1074 N CB 0.961 39.470 38.487 0.037 0.000 1.255 1074 N HN 1.069 nan 8.380 nan 0.000 0.485 1075 G N 3.610 112.345 108.800 -0.108 0.000 2.606 1075 G HA2 -0.308 3.653 3.960 0.001 0.000 0.223 1075 G HA3 -0.308 3.653 3.960 0.001 0.000 0.223 1075 G C 1.190 176.093 174.900 0.006 0.000 1.106 1075 G CA 0.959 46.051 45.100 -0.013 0.000 0.745 1075 G HN 0.738 nan 8.290 nan 0.000 0.597 1076 H N 0.496 119.619 119.070 0.090 0.000 2.276 1076 H HA -0.054 4.503 4.556 0.001 0.000 0.301 1076 H C 2.968 178.337 175.328 0.068 0.000 1.073 1076 H CA 2.066 58.142 56.048 0.048 0.000 1.311 1076 H CB -0.910 28.845 29.762 -0.012 0.000 1.379 1076 H HN 0.542 nan 8.280 nan 0.000 0.494 1077 T N -3.389 111.280 114.554 0.191 0.000 3.010 1077 T HA 0.283 4.634 4.350 0.001 0.000 0.252 1077 T C 1.834 176.625 174.700 0.151 0.000 1.047 1077 T CA 0.982 63.167 62.100 0.141 0.000 1.140 1077 T CB 0.136 69.071 68.868 0.112 0.000 0.885 1077 T HN 0.542 nan 8.240 nan 0.000 0.464 1078 G N 1.504 110.406 108.800 0.169 0.000 2.179 1078 G HA2 -0.225 3.735 3.960 0.001 0.000 0.220 1078 G HA3 -0.225 3.735 3.960 0.001 0.000 0.220 1078 G C 0.039 175.105 174.900 0.277 0.000 0.990 1078 G CA 0.185 45.436 45.100 0.252 0.000 0.646 1078 G HN 0.831 nan 8.290 nan 0.000 0.517 1079 K N 0.956 121.457 120.400 0.170 0.000 2.187 1079 K HA 0.442 4.763 4.320 0.001 0.000 0.247 1079 K C 0.736 177.362 176.600 0.043 0.000 1.019 1079 K CA -0.151 56.215 56.287 0.132 0.000 0.893 1079 K CB 0.276 32.815 32.500 0.065 0.000 1.025 1079 K HN 0.227 nan 8.250 nan 0.000 0.500 1080 K N 1.422 121.756 120.400 -0.111 0.000 2.107 1080 K HA 0.237 4.558 4.320 0.001 0.000 0.251 1080 K C -0.451 175.995 176.600 -0.256 0.000 1.012 1080 K CA -0.477 55.543 56.287 -0.446 0.000 0.920 1080 K CB 0.588 32.803 32.500 -0.475 0.000 1.033 1080 K HN 0.410 nan 8.250 nan 0.000 0.478 1081 L N 3.486 124.535 121.223 -0.290 0.000 2.259 1081 L HA 0.117 4.458 4.340 0.001 0.000 0.288 1081 L C 1.353 178.155 176.870 -0.113 0.000 1.051 1081 L CA -0.505 54.242 54.840 -0.155 0.000 0.824 1081 L CB 0.865 42.833 42.059 -0.151 0.000 1.206 1081 L HN 0.764 nan 8.230 nan 0.000 0.429 1082 M N 3.194 122.753 119.600 -0.068 0.000 2.186 1082 M HA -0.265 4.215 4.480 0.001 0.000 0.249 1082 M C 0.806 177.087 176.300 -0.032 0.000 1.081 1082 M CA 2.078 57.352 55.300 -0.043 0.000 1.072 1082 M CB -0.156 32.433 32.600 -0.018 0.000 1.318 1082 M HN 0.686 nan 8.290 nan 0.000 0.405 1083 A N -1.296 121.513 122.820 -0.019 0.000 2.309 1083 A HA 0.685 5.005 4.320 0.001 0.000 0.317 1083 A C -0.636 176.960 177.584 0.020 0.000 1.134 1083 A CA -0.797 51.250 52.037 0.016 0.000 0.866 1083 A CB 0.758 19.781 19.000 0.037 0.000 1.329 1083 A HN 0.412 nan 8.150 nan 0.000 0.477 1084 Q N -0.499 119.363 119.800 0.103 0.000 2.257 1084 Q HA 0.667 5.007 4.340 0.001 0.000 0.262 1084 Q C -1.287 174.792 176.000 0.132 0.000 0.997 1084 Q CA -0.227 55.660 55.803 0.140 0.000 0.873 1084 Q CB 1.523 30.406 28.738 0.241 0.000 1.312 1084 Q HN 0.539 nan 8.270 nan 0.000 0.450 1085 I N 0.925 121.521 120.570 0.042 0.000 2.460 1085 I HA 0.227 4.398 4.170 0.001 0.000 0.298 1085 I C -0.280 175.758 176.117 -0.131 0.000 0.989 1085 I CA -0.611 60.648 61.300 -0.068 0.000 1.173 1085 I CB 0.645 38.620 38.000 -0.042 0.000 1.338 1085 I HN 0.543 nan 8.210 nan 0.000 0.456 1086 F N 6.660 126.320 119.950 -0.483 0.000 2.626 1086 F HA 0.237 4.765 4.527 0.001 0.000 0.374 1086 F C 0.170 175.910 175.800 -0.100 0.000 1.184 1086 F CA -0.614 57.115 58.000 -0.452 0.000 1.339 1086 F CB -0.757 37.928 39.000 -0.524 0.000 1.730 1086 F HN 0.297 nan 8.300 nan 0.000 0.650 1087 F N 1.850 121.578 119.950 -0.370 0.000 2.496 1087 F HA 0.498 5.025 4.527 0.001 0.000 0.344 1087 F C 0.745 176.264 175.800 -0.470 0.000 1.155 1087 F CA 0.721 58.518 58.000 -0.338 0.000 1.302 1087 F CB 0.423 39.291 39.000 -0.220 0.000 1.159 1087 F HN 0.446 nan 8.300 nan 0.000 0.595 1088 G N 3.972 112.909 108.800 0.228 0.000 2.321 1088 G HA2 0.123 4.083 3.960 0.001 0.000 0.339 1088 G HA3 0.123 4.083 3.960 0.001 0.000 0.339 1088 G C -3.391 171.484 174.900 -0.041 0.000 1.518 1088 G CA -1.203 43.923 45.100 0.043 0.000 0.994 1088 G HN 0.482 nan 8.290 nan 0.000 0.668 1089 P HA 0.488 nan 4.420 nan 0.000 0.272 1089 P C -0.372 176.957 177.300 0.048 0.000 1.223 1089 P CA 0.355 63.471 63.100 0.028 0.000 0.784 1089 P CB 1.475 33.193 31.700 0.030 0.000 0.923 1090 T N 1.220 115.841 114.554 0.112 0.000 2.889 1090 T HA 0.219 4.570 4.350 0.001 0.000 0.315 1090 T C -1.420 173.416 174.700 0.227 0.000 1.291 1090 T CA -0.201 61.971 62.100 0.121 0.000 1.028 1090 T CB 0.821 69.750 68.868 0.102 0.000 1.235 1090 T HN 0.219 nan 8.240 nan 0.000 0.491 1091 Y N 2.006 122.297 120.300 -0.015 0.000 2.336 1091 Y HA 0.581 5.132 4.550 0.001 0.000 0.335 1091 Y C -1.354 174.532 175.900 -0.023 0.000 1.046 1091 Y CA -1.305 56.813 58.100 0.029 0.000 1.198 1091 Y CB 0.242 38.706 38.460 0.007 0.000 1.182 1091 Y HN 0.592 nan 8.280 nan 0.000 0.502 1092 Y N 4.162 124.472 120.300 0.017 0.000 2.391 1092 Y HA 0.389 4.940 4.550 0.001 0.000 0.341 1092 Y C -0.440 175.457 175.900 -0.005 0.000 0.965 1092 Y CA -0.819 57.303 58.100 0.037 0.000 1.067 1092 Y CB 1.761 40.341 38.460 0.200 0.000 1.199 1092 Y HN 0.510 nan 8.280 nan 0.000 0.450 1093 Q N 2.916 122.753 119.800 0.061 0.000 2.235 1093 Q HA 0.459 4.799 4.340 0.001 0.000 0.256 1093 Q C -0.649 175.423 176.000 0.121 0.000 0.951 1093 Q CA -1.097 54.731 55.803 0.043 0.000 0.890 1093 Q CB 2.060 30.759 28.738 -0.065 0.000 1.279 1093 Q HN 0.480 nan 8.270 nan 0.000 0.444 1094 R N 2.683 123.228 120.500 0.076 0.000 2.280 1094 R HA 0.235 4.576 4.340 0.001 0.000 0.326 1094 R C -1.248 174.927 176.300 -0.209 0.000 1.080 1094 R CA -0.565 55.462 56.100 -0.122 0.000 1.002 1094 R CB -0.023 30.254 30.300 -0.039 0.000 1.136 1094 R HN 0.424 nan 8.270 nan 0.000 0.509 1095 L N 3.626 124.685 121.223 -0.274 0.000 2.417 1095 L HA 0.381 4.722 4.340 0.001 0.000 0.268 1095 L C 0.866 177.530 176.870 -0.344 0.000 1.158 1095 L CA -0.453 54.233 54.840 -0.257 0.000 0.819 1095 L CB 0.139 42.074 42.059 -0.206 0.000 1.112 1095 L HN 0.535 nan 8.230 nan 0.000 0.458 1096 R N 0.769 121.046 120.500 -0.371 0.000 2.827 1096 R HA 0.212 4.552 4.340 0.001 0.000 0.269 1096 R C -0.790 175.271 176.300 -0.399 0.000 1.048 1096 R CA -0.312 55.543 56.100 -0.408 0.000 1.173 1096 R CB 0.092 30.109 30.300 -0.472 0.000 1.070 1096 R HN 0.778 nan 8.270 nan 0.000 0.498 1097 H N -0.308 118.582 119.070 -0.299 0.000 4.019 1097 H HA -0.018 4.539 4.556 0.001 0.000 0.402 1097 H C -1.227 173.948 175.328 -0.255 0.000 1.461 1097 H CA -0.239 55.657 56.048 -0.252 0.000 1.564 1097 H CB -1.482 28.143 29.762 -0.229 0.000 1.832 1097 H HN 0.633 nan 8.280 nan 0.000 0.497 1098 M N -0.079 119.438 119.600 -0.137 0.000 2.314 1098 M HA 0.285 4.766 4.480 0.001 0.000 0.342 1098 M C 1.830 178.060 176.300 -0.115 0.000 1.171 1098 M CA -0.286 54.919 55.300 -0.157 0.000 1.098 1098 M CB 1.314 33.810 32.600 -0.172 0.000 1.559 1098 M HN 0.120 nan 8.290 nan 0.000 0.459 1099 V N 1.372 121.224 119.914 -0.104 0.000 2.231 1099 V HA -0.290 3.831 4.120 0.001 0.000 0.248 1099 V C 1.190 177.248 176.094 -0.061 0.000 1.054 1099 V CA 2.268 64.521 62.300 -0.078 0.000 1.015 1099 V CB -0.248 31.538 31.823 -0.063 0.000 0.638 1099 V HN 0.887 nan 8.190 nan 0.000 0.444 1100 D N -0.081 120.288 120.400 -0.053 0.000 2.417 1100 D HA -0.086 4.555 4.640 0.001 0.000 0.240 1100 D C 1.110 177.390 176.300 -0.033 0.000 1.062 1100 D CA 0.736 54.716 54.000 -0.034 0.000 0.959 1100 D CB -0.182 40.605 40.800 -0.023 0.000 0.877 1100 D HN 0.552 nan 8.370 nan 0.000 0.528 1101 D N -1.111 119.257 120.400 -0.055 0.000 2.433 1101 D HA 0.103 4.744 4.640 0.001 0.000 0.211 1101 D C 1.456 177.721 176.300 -0.060 0.000 1.114 1101 D CA 0.098 54.063 54.000 -0.057 0.000 0.837 1101 D CB 0.741 41.485 40.800 -0.093 0.000 0.984 1101 D HN 0.174 nan 8.370 nan 0.000 0.505 1102 K N -0.218 120.150 120.400 -0.055 0.000 2.424 1102 K HA 0.150 4.471 4.320 0.001 0.000 0.200 1102 K C 0.380 176.976 176.600 -0.006 0.000 1.279 1102 K CA -0.488 55.770 56.287 -0.050 0.000 0.918 1102 K CB 1.159 33.616 32.500 -0.073 0.000 1.287 1102 K HN -0.131 nan 8.250 nan 0.000 0.502 1103 I N 2.960 123.530 120.570 -0.000 0.000 3.163 1103 I HA -0.225 3.945 4.170 0.001 0.000 0.332 1103 I C -0.226 175.953 176.117 0.104 0.000 1.205 1103 I CA 1.367 62.686 61.300 0.031 0.000 1.473 1103 I CB -0.406 37.601 38.000 0.012 0.000 1.300 1103 I HN 0.220 nan 8.210 nan 0.000 0.532 1104 H N 5.485 124.538 119.070 -0.028 0.000 3.128 1104 H HA 0.767 5.323 4.556 0.001 0.000 0.336 1104 H C -1.405 173.911 175.328 -0.019 0.000 1.026 1104 H CA -0.489 55.545 56.048 -0.023 0.000 1.376 1104 H CB 1.121 30.868 29.762 -0.025 0.000 1.882 1104 H HN 0.653 nan 8.280 nan 0.000 0.479 1105 A N 4.663 127.425 122.820 -0.096 0.000 2.475 1105 A HA 0.841 5.162 4.320 0.001 0.000 0.301 1105 A C -1.105 176.364 177.584 -0.191 0.000 1.059 1105 A CA -0.785 51.135 52.037 -0.195 0.000 0.710 1105 A CB 1.676 20.633 19.000 -0.072 0.000 1.288 1105 A HN 0.796 nan 8.150 nan 0.000 0.408 1106 R N 0.742 121.128 120.500 -0.191 0.000 2.515 1106 R HA 0.649 4.990 4.340 0.001 0.000 0.278 1106 R C -1.487 174.765 176.300 -0.079 0.000 1.107 1106 R CA 0.077 56.109 56.100 -0.113 0.000 0.945 1106 R CB 1.668 31.895 30.300 -0.121 0.000 1.219 1106 R HN 1.372 nan 8.270 nan 0.000 0.434 1107 A N 5.738 128.528 122.820 -0.051 0.000 2.842 1107 A HA 0.486 4.806 4.320 0.001 0.000 0.339 1107 A C -0.492 177.070 177.584 -0.036 0.000 1.177 1107 A CA -0.380 51.632 52.037 -0.042 0.000 0.797 1107 A CB 0.319 19.298 19.000 -0.035 0.000 1.094 1107 A HN 1.037 nan 8.150 nan 0.000 0.474 1108 R N 0.210 120.686 120.500 -0.039 0.000 1.083 1108 R HA 0.002 4.342 4.340 0.001 0.000 0.424 1108 R C -0.004 176.279 176.300 -0.029 0.000 1.365 1108 R CA 1.461 57.539 56.100 -0.036 0.000 1.384 1108 R CB -1.131 29.148 30.300 -0.036 0.000 3.781 1108 R HN 2.196 nan 8.270 nan 0.000 0.496 1109 G N 2.052 110.835 108.800 -0.028 0.000 2.593 1109 G HA2 0.298 4.259 3.960 0.001 0.000 0.103 1109 G HA3 0.298 4.259 3.960 0.001 0.000 0.103 1109 G C -2.895 171.991 174.900 -0.024 0.000 1.103 1109 G CA -0.293 44.794 45.100 -0.023 0.000 1.109 1109 G HN 0.700 nan 8.290 nan 0.000 0.516 1110 P HA 0.324 nan 4.420 nan 0.000 0.263 1110 P C -0.792 176.490 177.300 -0.031 0.000 1.195 1110 P CA 0.513 63.602 63.100 -0.019 0.000 0.762 1110 P CB 0.630 32.326 31.700 -0.006 0.000 0.799 1111 M N 1.963 121.534 119.600 -0.049 0.000 2.311 1111 M HA 0.303 4.783 4.480 0.001 0.000 0.325 1111 M C 0.566 176.818 176.300 -0.081 0.000 1.061 1111 M CA -0.953 54.303 55.300 -0.074 0.000 0.957 1111 M CB 1.603 34.142 32.600 -0.103 0.000 1.646 1111 M HN 0.446 nan 8.290 nan 0.000 0.434 1112 Q N 0.818 120.568 119.800 -0.082 0.000 2.624 1112 Q HA 0.066 4.406 4.340 0.001 0.000 0.256 1112 Q C 0.418 176.352 176.000 -0.109 0.000 1.119 1112 Q CA 0.262 56.018 55.803 -0.078 0.000 0.995 1112 Q CB 0.915 29.609 28.738 -0.074 0.000 1.318 1112 Q HN 0.609 nan 8.270 nan 0.000 0.534 1113 V N 1.676 121.536 119.914 -0.090 0.000 2.581 1113 V HA -0.108 4.013 4.120 0.001 0.000 0.240 1113 V C 1.631 177.652 176.094 -0.122 0.000 1.054 1113 V CA 0.971 63.208 62.300 -0.103 0.000 1.076 1113 V CB -0.411 31.376 31.823 -0.059 0.000 0.748 1113 V HN 0.788 nan 8.190 nan 0.000 0.474 1114 L N 0.232 121.409 121.223 -0.076 0.000 2.017 1114 L HA -0.115 4.226 4.340 0.001 0.000 0.208 1114 L C 2.224 179.050 176.870 -0.072 0.000 1.073 1114 L CA 2.588 57.403 54.840 -0.042 0.000 0.745 1114 L CB -0.883 41.170 42.059 -0.010 0.000 0.894 1114 L HN 0.325 nan 8.230 nan 0.000 0.432 1115 T N -1.125 113.360 114.554 -0.114 0.000 2.939 1115 T HA 0.069 4.420 4.350 0.001 0.000 0.254 1115 T C 0.871 175.359 174.700 -0.352 0.000 1.041 1115 T CA 0.630 62.648 62.100 -0.136 0.000 1.142 1115 T CB 0.043 68.865 68.868 -0.077 0.000 0.874 1115 T HN 0.351 nan 8.240 nan 0.000 0.452 1116 R N 0.288 120.573 120.500 -0.357 0.000 3.862 1116 R HA -0.103 4.237 4.340 0.001 0.000 0.398 1116 R C -0.335 175.820 176.300 -0.241 0.000 1.110 1116 R CA 0.317 56.166 56.100 -0.418 0.000 1.010 1116 R CB -1.714 28.083 30.300 -0.837 0.000 1.613 1116 R HN 0.481 nan 8.270 nan 0.000 0.530 1117 Q N 0.521 120.227 119.800 -0.156 0.000 2.205 1117 Q HA 0.376 4.716 4.340 0.001 0.000 0.249 1117 Q C -2.370 173.584 176.000 -0.076 0.000 0.948 1117 Q CA -2.036 53.711 55.803 -0.093 0.000 0.895 1117 Q CB 1.168 29.871 28.738 -0.059 0.000 1.249 1117 Q HN -0.141 nan 8.270 nan 0.000 0.458 1118 P HA -0.116 nan 4.420 nan 0.000 0.265 1118 P C -0.815 176.470 177.300 -0.024 0.000 1.187 1118 P CA 0.086 63.164 63.100 -0.038 0.000 0.766 1118 P CB 0.331 32.014 31.700 -0.027 0.000 0.820 1119 V N 0.387 120.291 119.914 -0.017 0.000 3.133 1119 V HA 0.279 4.399 4.120 0.001 0.000 0.305 1119 V C 0.324 176.425 176.094 0.012 0.000 1.084 1119 V CA -0.443 61.853 62.300 -0.008 0.000 1.089 1119 V CB 0.596 32.415 31.823 -0.008 0.000 1.073 1119 V HN 0.581 nan 8.190 nan 0.000 0.477 1120 E N 1.634 121.839 120.200 0.008 0.000 2.250 1120 E HA 0.584 4.934 4.350 0.001 0.000 0.269 1120 E C 0.034 176.638 176.600 0.007 0.000 1.018 1120 E CA -0.072 56.337 56.400 0.016 0.000 0.873 1120 E CB 1.474 31.177 29.700 0.005 0.000 1.134 1120 E HN 1.982 nan 8.360 nan 0.000 0.403 1121 G N 2.785 111.585 108.800 0.001 0.000 3.439 1121 G HA2 -0.220 3.741 3.960 0.001 0.000 0.686 1121 G HA3 -0.220 3.741 3.960 0.001 0.000 0.686 1121 G C 0.305 175.130 174.900 -0.124 0.000 1.075 1121 G CA 0.098 45.168 45.100 -0.049 0.000 0.926 1121 G HN 0.800 nan 8.290 nan 0.000 0.485 1122 R N 1.171 121.491 120.500 -0.300 0.000 2.159 1122 R HA -0.123 4.217 4.340 0.001 0.000 0.237 1122 R C 2.603 178.703 176.300 -0.333 0.000 1.131 1122 R CA 2.662 58.331 56.100 -0.719 0.000 0.982 1122 R CB -0.353 29.421 30.300 -0.877 0.000 0.868 1122 R HN 0.983 nan 8.270 nan 0.000 0.453 1123 S N 1.024 116.617 115.700 -0.179 0.000 2.353 1123 S HA -0.143 4.327 4.470 0.001 0.000 0.222 1123 S C 1.781 176.350 174.600 -0.052 0.000 1.035 1123 S CA 1.094 59.240 58.200 -0.089 0.000 1.025 1123 S CB -0.329 62.838 63.200 -0.054 0.000 0.902 1123 S HN 0.444 nan 8.310 nan 0.000 0.440 1124 R N 1.151 121.627 120.500 -0.040 0.000 2.363 1124 R HA 0.137 4.478 4.340 0.001 0.000 0.236 1124 R C -0.033 176.269 176.300 0.003 0.000 0.966 1124 R CA 0.517 56.610 56.100 -0.011 0.000 1.100 1124 R CB -0.258 30.039 30.300 -0.005 0.000 1.125 1124 R HN 0.402 nan 8.270 nan 0.000 0.514 1125 D N -0.955 119.447 120.400 0.004 0.000 3.090 1125 D HA -0.119 4.521 4.640 0.001 0.000 0.215 1125 D C 0.517 176.894 176.300 0.129 0.000 1.140 1125 D CA 1.005 55.045 54.000 0.066 0.000 0.937 1125 D CB -1.031 39.792 40.800 0.038 0.000 1.108 1125 D HN 0.423 nan 8.370 nan 0.000 0.420 1126 G N -0.433 108.434 108.800 0.112 0.000 2.492 1126 G HA2 0.385 4.346 3.960 0.001 0.000 0.353 1126 G HA3 0.385 4.346 3.960 0.001 0.000 0.353 1126 G C 0.596 175.607 174.900 0.184 0.000 1.297 1126 G CA 0.469 45.652 45.100 0.138 0.000 1.192 1126 G HN 0.623 nan 8.290 nan 0.000 0.677 1127 G N -2.006 106.863 108.800 0.115 0.000 2.612 1127 G HA2 0.547 4.508 3.960 0.001 0.000 0.298 1127 G HA3 0.547 4.508 3.960 0.001 0.000 0.298 1127 G C -0.621 174.303 174.900 0.039 0.000 1.336 1127 G CA -0.936 44.179 45.100 0.026 0.000 0.953 1127 G HN 0.579 nan 8.290 nan 0.000 0.482 1128 L N 0.366 121.581 121.223 -0.013 0.000 2.453 1128 L HA 0.470 4.811 4.340 0.001 0.000 0.261 1128 L C 1.086 177.981 176.870 0.041 0.000 1.179 1128 L CA -0.638 54.213 54.840 0.019 0.000 0.813 1128 L CB 0.875 42.930 42.059 -0.007 0.000 1.110 1128 L HN 0.457 nan 8.230 nan 0.000 0.466 1129 R N 0.726 121.253 120.500 0.044 0.000 2.428 1129 R HA 0.216 4.556 4.340 0.001 0.000 0.294 1129 R C -0.673 175.679 176.300 0.086 0.000 1.000 1129 R CA -0.410 55.724 56.100 0.056 0.000 0.960 1129 R CB 0.698 31.012 30.300 0.023 0.000 1.076 1129 R HN 0.501 nan 8.270 nan 0.000 0.475 1130 F N 3.901 123.830 119.950 -0.034 0.000 2.963 1130 F HA 0.372 4.900 4.527 0.001 0.000 0.321 1130 F C 0.649 176.429 175.800 -0.033 0.000 1.234 1130 F CA -0.427 57.550 58.000 -0.038 0.000 1.296 1130 F CB 0.330 39.291 39.000 -0.065 0.000 0.981 1130 F HN 0.771 nan 8.300 nan 0.000 0.507 1131 G N 0.970 109.739 108.800 -0.051 0.000 2.939 1131 G HA2 -0.153 3.807 3.960 0.001 0.000 0.257 1131 G HA3 -0.153 3.807 3.960 0.001 0.000 0.257 1131 G C 0.959 175.805 174.900 -0.091 0.000 1.259 1131 G CA -0.013 45.056 45.100 -0.051 0.000 0.928 1131 G HN 0.546 nan 8.290 nan 0.000 0.615 1132 E N -0.533 119.640 120.200 -0.046 0.000 2.072 1132 E HA -0.305 4.046 4.350 0.001 0.000 0.218 1132 E C 2.721 179.274 176.600 -0.078 0.000 1.051 1132 E CA 2.199 58.576 56.400 -0.039 0.000 0.880 1132 E CB -0.231 29.454 29.700 -0.025 0.000 0.783 1132 E HN 0.566 nan 8.360 nan 0.000 0.473 1133 M N 0.289 119.835 119.600 -0.091 0.000 2.146 1133 M HA -0.247 4.234 4.480 0.001 0.000 0.256 1133 M C 2.107 178.310 176.300 -0.161 0.000 1.075 1133 M CA 1.485 56.725 55.300 -0.100 0.000 1.082 1133 M CB -0.539 32.008 32.600 -0.090 0.000 1.355 1133 M HN 0.025 nan 8.290 nan 0.000 0.402 1134 E N 0.090 120.103 120.200 -0.311 0.000 2.077 1134 E HA -0.124 4.226 4.350 0.001 0.000 0.193 1134 E C 1.941 178.276 176.600 -0.441 0.000 0.989 1134 E CA 1.026 57.067 56.400 -0.598 0.000 0.800 1134 E CB -0.327 28.606 29.700 -1.278 0.000 0.746 1134 E HN 0.370 nan 8.360 nan 0.000 0.452 1135 R N 0.848 121.221 120.500 -0.211 0.000 2.088 1135 R HA -0.201 4.140 4.340 0.001 0.000 0.232 1135 R C 1.381 177.727 176.300 0.077 0.000 1.136 1135 R CA 2.158 58.322 56.100 0.105 0.000 0.926 1135 R CB -0.428 29.936 30.300 0.106 0.000 0.837 1135 R HN 0.105 nan 8.270 nan 0.000 0.429 1136 D N 0.196 120.609 120.400 0.022 0.000 2.191 1136 D HA -0.258 4.383 4.640 0.001 0.000 0.190 1136 D C 1.994 178.328 176.300 0.057 0.000 1.007 1136 D CA 1.906 55.924 54.000 0.029 0.000 0.865 1136 D CB -0.684 40.115 40.800 -0.001 0.000 0.929 1136 D HN 0.356 nan 8.370 nan 0.000 0.447 1137 C N 0.002 119.337 119.300 0.059 0.000 2.432 1137 C HA -0.086 4.374 4.460 0.001 0.000 0.277 1137 C C 2.633 177.777 174.990 0.256 0.000 1.249 1137 C CA 0.389 59.487 59.018 0.134 0.000 1.725 1137 C CB -0.686 27.127 27.740 0.121 0.000 2.028 1137 C HN 0.354 nan 8.230 nan 0.000 0.477 1138 M N 0.690 120.439 119.600 0.249 0.000 2.213 1138 M HA -0.044 4.437 4.480 0.001 0.000 0.263 1138 M C 1.912 178.357 176.300 0.242 0.000 1.062 1138 M CA 1.425 56.909 55.300 0.307 0.000 1.105 1138 M CB -1.259 31.564 32.600 0.372 0.000 1.385 1138 M HN 0.394 nan 8.290 nan 0.000 0.417 1139 I N -0.296 120.375 120.570 0.168 0.000 2.315 1139 I HA -0.225 3.945 4.170 0.001 0.000 0.248 1139 I C 2.497 178.670 176.117 0.094 0.000 1.117 1139 I CA 1.028 62.397 61.300 0.115 0.000 1.404 1139 I CB -0.630 37.417 38.000 0.080 0.000 1.071 1139 I HN 0.197 nan 8.210 nan 0.000 0.419 1140 A N 0.123 122.993 122.820 0.083 0.000 1.898 1140 A HA -0.226 4.094 4.320 0.001 0.000 0.216 1140 A C 2.231 179.806 177.584 -0.016 0.000 1.181 1140 A CA 1.423 53.468 52.037 0.014 0.000 0.620 1140 A CB -0.932 18.053 19.000 -0.024 0.000 0.819 1140 A HN 0.408 nan 8.150 nan 0.000 0.442 1141 H N -1.108 117.991 119.070 0.048 0.000 2.456 1141 H HA -0.021 4.536 4.556 0.001 0.000 0.296 1141 H C 1.834 177.189 175.328 0.045 0.000 1.079 1141 H CA 1.411 57.485 56.048 0.045 0.000 1.322 1141 H CB -0.108 29.690 29.762 0.061 0.000 1.388 1141 H HN 0.671 nan 8.280 nan 0.000 0.538 1142 G N -0.136 108.760 108.800 0.161 0.000 2.141 1142 G HA2 -0.270 3.691 3.960 0.001 0.000 0.242 1142 G HA3 -0.270 3.691 3.960 0.001 0.000 0.242 1142 G C 0.682 175.656 174.900 0.124 0.000 0.982 1142 G CA 0.368 45.534 45.100 0.110 0.000 0.662 1142 G HN 0.648 nan 8.290 nan 0.000 0.527 1143 A N 0.175 123.099 122.820 0.173 0.000 3.051 1143 A HA 0.779 5.099 4.320 0.001 0.000 0.257 1143 A C 1.956 179.642 177.584 0.171 0.000 1.785 1143 A CA 1.093 53.231 52.037 0.168 0.000 1.420 1143 A CB -0.688 18.430 19.000 0.197 0.000 1.063 1143 A HN 1.882 nan 8.150 nan 0.000 0.630 1144 A N 1.050 123.939 122.820 0.115 0.000 1.859 1144 A HA -0.209 4.111 4.320 0.001 0.000 0.218 1144 A C 2.529 180.159 177.584 0.078 0.000 1.242 1144 A CA 2.492 54.580 52.037 0.085 0.000 0.661 1144 A CB -1.285 17.753 19.000 0.062 0.000 0.842 1144 A HN 0.672 nan 8.150 nan 0.000 0.455 1145 S N -1.026 114.721 115.700 0.079 0.000 2.381 1145 S HA -0.258 4.212 4.470 0.001 0.000 0.230 1145 S C 1.676 176.327 174.600 0.085 0.000 1.052 1145 S CA 1.930 60.171 58.200 0.068 0.000 1.068 1145 S CB -0.698 62.544 63.200 0.070 0.000 0.918 1145 S HN 0.602 nan 8.310 nan 0.000 0.448 1146 F N 2.101 122.032 119.950 -0.033 0.000 2.046 1146 F HA -0.106 4.421 4.527 0.001 0.000 0.297 1146 F C 2.109 177.849 175.800 -0.100 0.000 1.123 1146 F CA 1.426 59.388 58.000 -0.064 0.000 1.199 1146 F CB -0.947 38.023 39.000 -0.050 0.000 0.972 1146 F HN 0.169 nan 8.300 nan 0.000 0.474 1147 L N 0.882 121.992 121.223 -0.187 0.000 1.978 1147 L HA -0.320 4.021 4.340 0.001 0.000 0.218 1147 L C 2.746 179.429 176.870 -0.312 0.000 1.075 1147 L CA 2.378 57.037 54.840 -0.301 0.000 0.767 1147 L CB -0.804 41.241 42.059 -0.024 0.000 0.890 1147 L HN 0.177 nan 8.230 nan 0.000 0.434 1148 K N 0.108 120.416 120.400 -0.154 0.000 2.127 1148 K HA -0.310 4.011 4.320 0.001 0.000 0.208 1148 K C 1.953 178.448 176.600 -0.175 0.000 1.047 1148 K CA 2.300 58.515 56.287 -0.120 0.000 0.927 1148 K CB -0.290 32.180 32.500 -0.049 0.000 0.716 1148 K HN 0.620 nan 8.250 nan 0.000 0.450 1149 E N -0.168 119.897 120.200 -0.225 0.000 2.107 1149 E HA -0.135 4.215 4.350 0.001 0.000 0.191 1149 E C 2.014 178.410 176.600 -0.341 0.000 0.982 1149 E CA 0.395 56.659 56.400 -0.226 0.000 0.809 1149 E CB 0.197 29.810 29.700 -0.145 0.000 0.756 1149 E HN 0.194 nan 8.360 nan 0.000 0.459 1150 R N 0.197 120.340 120.500 -0.596 0.000 2.062 1150 R HA -0.113 4.228 4.340 0.001 0.000 0.231 1150 R C 2.417 178.464 176.300 -0.422 0.000 1.136 1150 R CA 0.728 56.421 56.100 -0.678 0.000 0.948 1150 R CB -0.740 28.788 30.300 -1.287 0.000 0.845 1150 R HN 0.201 nan 8.270 nan 0.000 0.430 1151 L N 0.153 121.162 121.223 -0.356 0.000 2.083 1151 L HA -0.147 4.194 4.340 0.001 0.000 0.209 1151 L C 2.315 179.109 176.870 -0.127 0.000 1.083 1151 L CA 1.686 56.413 54.840 -0.188 0.000 0.752 1151 L CB -0.575 41.407 42.059 -0.129 0.000 0.899 1151 L HN 0.133 nan 8.230 nan 0.000 0.433 1152 M N -1.522 117.999 119.600 -0.133 0.000 2.422 1152 M HA 0.038 4.518 4.480 0.001 0.000 0.219 1152 M C 2.190 178.434 176.300 -0.093 0.000 1.251 1152 M CA 0.674 55.921 55.300 -0.089 0.000 1.236 1152 M CB -0.981 31.572 32.600 -0.078 0.000 1.113 1152 M HN -0.065 nan 8.290 nan 0.000 0.478 1153 E N 1.421 121.557 120.200 -0.105 0.000 2.114 1153 E HA -0.106 4.244 4.350 0.001 0.000 0.199 1153 E C 1.050 177.598 176.600 -0.088 0.000 1.008 1153 E CA 1.565 57.910 56.400 -0.092 0.000 0.810 1153 E CB -0.388 29.261 29.700 -0.085 0.000 0.739 1153 E HN 0.504 nan 8.360 nan 0.000 0.456 1154 A N -0.559 122.192 122.820 -0.116 0.000 3.105 1154 A HA 0.519 4.840 4.320 0.001 0.000 0.272 1154 A C 0.538 178.059 177.584 -0.105 0.000 1.466 1154 A CA 0.561 52.531 52.037 -0.112 0.000 1.101 1154 A CB -0.139 18.774 19.000 -0.145 0.000 1.065 1154 A HN 0.096 nan 8.150 nan 0.000 0.643 1155 S N -1.327 114.324 115.700 -0.082 0.000 4.938 1155 S HA -0.010 4.460 4.470 0.001 0.000 0.228 1155 S C 0.012 174.582 174.600 -0.049 0.000 1.145 1155 S CA 0.388 58.547 58.200 -0.068 0.000 1.293 1155 S CB -0.691 62.464 63.200 -0.075 0.000 1.757 1155 S HN 0.319 nan 8.310 nan 0.000 0.389 1156 D N 1.621 122.004 120.400 -0.028 0.000 2.174 1156 D HA 0.170 4.811 4.640 0.001 0.000 0.215 1156 D C 0.991 177.328 176.300 0.061 0.000 1.021 1156 D CA 1.943 55.955 54.000 0.020 0.000 0.910 1156 D CB -1.110 39.727 40.800 0.062 0.000 1.142 1156 D HN 1.363 nan 8.370 nan 0.000 0.473 1157 A N 0.288 123.153 122.820 0.075 0.000 1.426 1157 A HA -0.135 4.186 4.320 0.001 0.000 0.176 1157 A C -0.409 177.317 177.584 0.238 0.000 1.222 1157 A CA 0.525 52.611 52.037 0.080 0.000 0.603 1157 A CB -1.498 17.494 19.000 -0.013 0.000 1.101 1157 A HN 0.323 nan 8.150 nan 0.000 0.155 1158 F N 2.991 122.975 119.950 0.056 0.000 2.645 1158 F HA 0.769 5.296 4.527 0.001 0.000 0.310 1158 F C -0.302 175.592 175.800 0.157 0.000 1.102 1158 F CA -1.307 56.755 58.000 0.104 0.000 0.952 1158 F CB 1.499 40.586 39.000 0.145 0.000 1.326 1158 F HN 0.694 nan 8.300 nan 0.000 0.456 1159 R N 4.567 124.745 120.500 -0.537 0.000 2.320 1159 R HA 0.591 4.932 4.340 0.001 0.000 0.319 1159 R C -1.596 174.126 176.300 -0.964 0.000 0.969 1159 R CA -0.300 55.500 56.100 -0.499 0.000 0.857 1159 R CB 0.612 30.844 30.300 -0.113 0.000 1.160 1159 R HN 0.632 nan 8.270 nan 0.000 0.491 1160 V N 0.846 120.313 119.914 -0.745 0.000 3.193 1160 V HA 0.642 4.763 4.120 0.001 0.000 0.320 1160 V C -0.292 175.548 176.094 -0.423 0.000 1.112 1160 V CA -0.791 61.180 62.300 -0.550 0.000 1.026 1160 V CB 2.088 33.720 31.823 -0.318 0.000 1.128 1160 V HN 0.636 nan 8.190 nan 0.000 0.452 1161 H N 0.801 119.836 119.070 -0.057 0.000 2.569 1161 H HA 0.738 5.295 4.556 0.001 0.000 0.357 1161 H C -0.711 174.640 175.328 0.039 0.000 1.153 1161 H CA -0.329 55.736 56.048 0.029 0.000 1.193 1161 H CB 2.033 31.865 29.762 0.117 0.000 1.602 1161 H HN 0.667 nan 8.280 nan 0.000 0.523 1162 I N 0.456 121.144 120.570 0.197 0.000 3.002 1162 I HA 0.218 4.388 4.170 0.001 0.000 0.310 1162 I C 0.128 176.311 176.117 0.110 0.000 1.087 1162 I CA -1.023 60.343 61.300 0.110 0.000 1.017 1162 I CB 2.297 40.319 38.000 0.037 0.000 1.226 1162 I HN 0.420 nan 8.210 nan 0.000 0.443 1163 C N 2.289 121.622 119.300 0.054 0.000 2.435 1163 C HA 0.495 4.955 4.460 0.001 0.000 0.375 1163 C C 1.727 176.700 174.990 -0.029 0.000 1.281 1163 C CA -0.064 58.976 59.018 0.037 0.000 1.963 1163 C CB -0.054 27.701 27.740 0.025 0.000 2.490 1163 C HN 1.030 nan 8.230 nan 0.000 0.557 1164 G N 4.541 113.351 108.800 0.018 0.000 2.559 1164 G HA2 -0.012 3.948 3.960 0.001 0.000 0.216 1164 G HA3 -0.012 3.948 3.960 0.001 0.000 0.216 1164 G C 1.000 175.759 174.900 -0.235 0.000 1.126 1164 G CA 0.833 45.888 45.100 -0.075 0.000 0.778 1164 G HN 0.821 nan 8.290 nan 0.000 0.543 1165 I N 0.238 120.730 120.570 -0.130 0.000 4.169 1165 I HA 0.080 4.251 4.170 0.001 0.000 0.230 1165 I C 1.390 177.485 176.117 -0.036 0.000 1.009 1165 I CA -0.096 61.144 61.300 -0.100 0.000 1.554 1165 I CB -0.342 37.644 38.000 -0.024 0.000 1.437 1165 I HN 0.172 nan 8.210 nan 0.000 0.458 1166 C N 2.340 121.659 119.300 0.030 0.000 2.555 1166 C HA 0.467 4.927 4.460 0.001 0.000 0.385 1166 C C 1.417 176.473 174.990 0.109 0.000 1.296 1166 C CA -1.262 57.813 59.018 0.095 0.000 1.757 1166 C CB -0.835 26.939 27.740 0.055 0.000 2.445 1166 C HN 0.681 nan 8.230 nan 0.000 0.571 1167 G N 4.683 113.650 108.800 0.279 0.000 3.022 1167 G HA2 0.294 4.255 3.960 0.001 0.000 0.246 1167 G HA3 0.294 4.255 3.960 0.001 0.000 0.246 1167 G C 0.068 174.995 174.900 0.046 0.000 0.859 1167 G CA 0.004 45.241 45.100 0.228 0.000 1.941 1167 G HN 0.845 nan 8.290 nan 0.000 0.589 1168 L N -1.161 120.080 121.223 0.031 0.000 2.267 1168 L HA 0.506 4.846 4.340 0.001 0.000 0.264 1168 L C 1.371 178.261 176.870 0.033 0.000 1.021 1168 L CA -1.125 53.724 54.840 0.015 0.000 0.861 1168 L CB 1.477 43.550 42.059 0.023 0.000 1.443 1168 L HN 0.085 nan 8.230 nan 0.000 0.475 1169 M N -0.781 118.846 119.600 0.045 0.000 2.404 1169 M HA 0.087 4.567 4.480 0.001 0.000 0.271 1169 M C 1.292 177.634 176.300 0.069 0.000 1.128 1169 M CA 0.009 55.348 55.300 0.065 0.000 0.982 1169 M CB 0.020 32.665 32.600 0.075 0.000 1.445 1169 M HN 0.729 nan 8.290 nan 0.000 0.495 1170 T N 1.158 115.747 114.554 0.058 0.000 2.592 1170 T HA -0.151 4.199 4.350 0.001 0.000 0.267 1170 T C 1.000 175.737 174.700 0.062 0.000 1.060 1170 T CA 0.896 63.028 62.100 0.053 0.000 1.167 1170 T CB -0.841 68.053 68.868 0.044 0.000 0.863 1170 T HN 0.314 nan 8.240 nan 0.000 0.431 1171 V N 2.417 122.376 119.914 0.075 0.000 3.260 1171 V HA -0.184 3.937 4.120 0.001 0.000 0.271 1171 V C 0.575 176.702 176.094 0.056 0.000 1.548 1171 V CA 0.672 63.025 62.300 0.089 0.000 1.514 1171 V CB -0.936 30.979 31.823 0.153 0.000 0.806 1171 V HN 0.470 nan 8.190 nan 0.000 0.400 1172 I N 4.715 125.295 120.570 0.017 0.000 2.517 1172 I HA 0.387 4.558 4.170 0.001 0.000 0.289 1172 I C 0.905 176.937 176.117 -0.141 0.000 1.149 1172 I CA -0.138 61.143 61.300 -0.031 0.000 1.189 1172 I CB 0.472 38.463 38.000 -0.014 0.000 1.641 1172 I HN 0.761 nan 8.210 nan 0.000 0.560 1173 A N 3.730 126.406 122.820 -0.239 0.000 2.396 1173 A HA 0.261 4.581 4.320 0.001 0.000 0.279 1173 A C 0.962 178.285 177.584 -0.435 0.000 1.165 1173 A CA -0.185 51.472 52.037 -0.633 0.000 0.824 1173 A CB 0.164 18.619 19.000 -0.908 0.000 1.100 1173 A HN 0.579 nan 8.150 nan 0.000 0.516 1174 K N 2.593 122.715 120.400 -0.463 0.000 2.417 1174 K HA 0.200 4.520 4.320 0.001 0.000 0.196 1174 K C 0.040 176.457 176.600 -0.305 0.000 1.023 1174 K CA -0.106 56.014 56.287 -0.277 0.000 1.122 1174 K CB -0.259 32.138 32.500 -0.171 0.000 0.850 1174 K HN 0.783 nan 8.250 nan 0.000 0.521 1175 L N 1.517 122.499 121.223 -0.401 0.000 4.389 1175 L HA -0.378 3.962 4.340 0.001 0.000 0.520 1175 L C 1.028 177.785 176.870 -0.189 0.000 0.978 1175 L CA 0.489 55.182 54.840 -0.244 0.000 0.878 1175 L CB -1.472 40.538 42.059 -0.082 0.000 1.857 1175 L HN 0.444 nan 8.230 nan 0.000 0.957 1176 N N -1.480 117.044 118.700 -0.292 0.000 3.013 1176 N HA 0.053 4.794 4.740 0.001 0.000 0.250 1176 N C 1.018 176.324 175.510 -0.339 0.000 0.997 1176 N CA 0.183 53.007 53.050 -0.377 0.000 1.052 1176 N CB 0.378 38.470 38.487 -0.658 0.000 1.663 1176 N HN 0.408 nan 8.380 nan 0.000 0.641 1177 H N 1.916 120.956 119.070 -0.049 0.000 2.610 1177 H HA 0.322 4.879 4.556 0.001 0.000 0.302 1177 H C 0.205 175.517 175.328 -0.026 0.000 1.063 1177 H CA -0.128 55.902 56.048 -0.030 0.000 1.159 1177 H CB -0.227 29.515 29.762 -0.033 0.000 1.427 1177 H HN 0.291 nan 8.280 nan 0.000 0.553 1178 N N 0.638 119.337 118.700 -0.002 0.000 2.889 1178 N HA -0.240 4.500 4.740 0.001 0.000 0.234 1178 N C 0.059 175.599 175.510 0.050 0.000 0.915 1178 N CA 0.973 54.065 53.050 0.069 0.000 1.025 1178 N CB -0.780 37.795 38.487 0.147 0.000 1.073 1178 N HN 0.585 nan 8.380 nan 0.000 0.613 1179 Q N -0.933 118.847 119.800 -0.033 0.000 2.310 1179 Q HA 0.011 4.352 4.340 0.001 0.000 0.315 1179 Q C 0.669 176.523 176.000 -0.243 0.000 1.081 1179 Q CA 0.729 56.512 55.803 -0.034 0.000 0.981 1179 Q CB 0.133 28.857 28.738 -0.024 0.000 1.184 1179 Q HN 0.313 nan 8.270 nan 0.000 0.389 1180 F N -0.227 119.685 119.950 -0.063 0.000 2.699 1180 F HA 0.116 4.644 4.527 0.001 0.000 0.295 1180 F C 0.879 176.637 175.800 -0.070 0.000 1.052 1180 F CA -0.123 57.817 58.000 -0.100 0.000 1.239 1180 F CB 0.494 39.415 39.000 -0.133 0.000 1.018 1180 F HN 0.624 nan 8.300 nan 0.000 0.627 1181 E N -0.568 119.699 120.200 0.111 0.000 7.515 1181 E HA -0.406 3.944 4.350 0.001 0.000 0.161 1181 E C -0.088 176.547 176.600 0.059 0.000 1.490 1181 E CA 1.594 58.030 56.400 0.061 0.000 2.612 1181 E CB -0.135 29.581 29.700 0.026 0.000 1.681 1181 E HN 0.494 nan 8.360 nan 0.000 0.403 1182 C N 1.218 120.542 119.300 0.040 0.000 2.369 1182 C HA 0.086 4.546 4.460 0.001 0.000 0.363 1182 C C -0.705 174.303 174.990 0.030 0.000 1.137 1182 C CA -0.063 58.978 59.018 0.039 0.000 0.631 1182 C CB -1.402 26.368 27.740 0.050 0.000 1.589 1182 C HN 0.655 nan 8.230 nan 0.000 0.776 1183 K N 1.239 121.653 120.400 0.024 0.000 2.485 1183 K HA 0.417 4.737 4.320 0.001 0.000 0.271 1183 K C 1.564 178.176 176.600 0.020 0.000 0.967 1183 K CA 1.548 57.846 56.287 0.019 0.000 0.915 1183 K CB -0.149 32.361 32.500 0.016 0.000 0.930 1183 K HN 1.767 nan 8.250 nan 0.000 0.527 1184 G N -0.903 107.907 108.800 0.017 0.000 2.812 1184 G HA2 -0.357 3.604 3.960 0.001 0.000 0.219 1184 G HA3 -0.357 3.604 3.960 0.001 0.000 0.219 1184 G C 1.316 176.227 174.900 0.017 0.000 1.275 1184 G CA 0.183 45.293 45.100 0.017 0.000 0.769 1184 G HN 0.656 nan 8.290 nan 0.000 0.527 1185 C N 1.027 120.339 119.300 0.020 0.000 2.674 1185 C HA 0.449 4.909 4.460 0.001 0.000 0.276 1185 C C 0.886 175.886 174.990 0.017 0.000 1.300 1185 C CA 0.777 59.806 59.018 0.019 0.000 1.732 1185 C CB -0.667 27.086 27.740 0.022 0.000 2.076 1185 C HN 0.842 nan 8.230 nan 0.000 0.548 1186 D N 1.772 122.183 120.400 0.018 0.000 3.763 1186 D HA -0.141 4.500 4.640 0.001 0.000 0.232 1186 D C -0.492 175.818 176.300 0.017 0.000 1.108 1186 D CA 0.638 54.648 54.000 0.017 0.000 1.117 1186 D CB -0.767 40.041 40.800 0.013 0.000 0.846 1186 D HN 0.531 nan 8.370 nan 0.000 0.405 1187 N N 1.817 120.530 118.700 0.022 0.000 3.369 1187 N HA 0.559 5.300 4.740 0.001 0.000 0.362 1187 N C 0.663 176.190 175.510 0.028 0.000 1.523 1187 N CA -0.153 52.909 53.050 0.021 0.000 0.684 1187 N CB 1.173 39.675 38.487 0.024 0.000 1.796 1187 N HN 0.442 nan 8.380 nan 0.000 0.641 1188 K N -0.891 119.525 120.400 0.027 0.000 1.360 1188 K HA 0.138 4.458 4.320 0.001 0.000 0.084 1188 K C 0.466 177.065 176.600 -0.001 0.000 2.230 1188 K CA 0.124 56.437 56.287 0.042 0.000 0.912 1188 K CB -0.455 32.068 32.500 0.038 0.000 2.613 1188 K HN 0.367 nan 8.250 nan 0.000 0.394 1189 I N 0.062 120.615 120.570 -0.029 0.000 3.971 1189 I HA 0.084 4.255 4.170 0.001 0.000 0.303 1189 I C -0.114 175.941 176.117 -0.103 0.000 1.233 1189 I CA 0.100 61.360 61.300 -0.066 0.000 1.346 1189 I CB 0.754 38.727 38.000 -0.044 0.000 1.273 1189 I HN 0.008 nan 8.210 nan 0.000 0.448 1190 D N 1.844 122.207 120.400 -0.062 0.000 2.454 1190 D HA 0.543 5.184 4.640 0.001 0.000 0.225 1190 D C -0.836 175.462 176.300 -0.004 0.000 1.081 1190 D CA 0.122 54.097 54.000 -0.042 0.000 0.864 1190 D CB 0.736 41.553 40.800 0.027 0.000 1.040 1190 D HN -0.009 nan 8.370 nan 0.000 0.517 1191 I N 3.611 124.108 120.570 -0.122 0.000 2.649 1191 I HA 0.230 4.400 4.170 0.001 0.000 0.289 1191 I C -1.195 174.826 176.117 -0.161 0.000 1.222 1191 I CA -0.790 60.481 61.300 -0.048 0.000 1.046 1191 I CB 1.271 39.167 38.000 -0.174 0.000 1.272 1191 I HN 0.247 nan 8.210 nan 0.000 0.425 1192 Y N 3.696 123.944 120.300 -0.088 0.000 2.631 1192 Y HA 0.586 5.136 4.550 0.001 0.000 0.328 1192 Y C 0.021 175.938 175.900 0.027 0.000 1.118 1192 Y CA -0.873 57.187 58.100 -0.068 0.000 1.206 1192 Y CB 1.073 39.484 38.460 -0.081 0.000 1.337 1192 Y HN 0.404 nan 8.280 nan 0.000 0.515 1193 Q N 2.264 122.140 119.800 0.127 0.000 2.356 1193 Q HA 0.742 5.082 4.340 0.001 0.000 0.270 1193 Q C -1.629 174.280 176.000 -0.151 0.000 1.058 1193 Q CA -0.725 55.049 55.803 -0.048 0.000 0.802 1193 Q CB 2.047 30.730 28.738 -0.093 0.000 1.303 1193 Q HN 0.777 nan 8.270 nan 0.000 0.444 1194 I N -0.927 119.504 120.570 -0.231 0.000 2.969 1194 I HA 0.557 4.728 4.170 0.001 0.000 0.307 1194 I C -1.263 174.714 176.117 -0.234 0.000 1.149 1194 I CA -1.129 60.047 61.300 -0.207 0.000 1.008 1194 I CB 2.428 40.387 38.000 -0.067 0.000 1.232 1194 I HN 0.563 nan 8.210 nan 0.000 0.435 1195 H N 4.677 123.713 119.070 -0.056 0.000 2.511 1195 H HA 0.753 5.310 4.556 0.001 0.000 0.328 1195 H C -0.614 174.708 175.328 -0.010 0.000 1.044 1195 H CA -0.449 55.570 56.048 -0.049 0.000 1.212 1195 H CB 1.646 31.395 29.762 -0.022 0.000 1.428 1195 H HN 0.729 nan 8.280 nan 0.000 0.483 1196 I N 0.379 121.027 120.570 0.130 0.000 3.102 1196 I HA 0.533 4.704 4.170 0.001 0.000 0.310 1196 I C -2.930 173.255 176.117 0.114 0.000 1.246 1196 I CA -2.759 58.601 61.300 0.100 0.000 0.979 1196 I CB 3.125 41.184 38.000 0.098 0.000 1.267 1196 I HN 0.171 nan 8.210 nan 0.000 0.451 1197 P HA -0.013 nan 4.420 nan 0.000 0.271 1197 P C 0.099 177.488 177.300 0.148 0.000 1.226 1197 P CA 0.319 63.474 63.100 0.093 0.000 0.765 1197 P CB 0.556 32.273 31.700 0.028 0.000 0.835 1198 Y N 4.372 124.727 120.300 0.092 0.000 2.241 1198 Y HA -0.296 4.255 4.550 0.001 0.000 0.286 1198 Y C 2.342 178.235 175.900 -0.011 0.000 1.166 1198 Y CA 1.976 60.130 58.100 0.090 0.000 1.203 1198 Y CB -0.310 38.116 38.460 -0.057 0.000 0.977 1198 Y HN 0.471 nan 8.280 nan 0.000 0.529 1199 A N -0.043 122.911 122.820 0.224 0.000 2.019 1199 A HA -0.088 4.232 4.320 0.001 0.000 0.219 1199 A C 2.292 179.834 177.584 -0.070 0.000 1.164 1199 A CA 1.481 53.577 52.037 0.098 0.000 0.644 1199 A CB -1.128 17.894 19.000 0.035 0.000 0.805 1199 A HN 0.594 nan 8.150 nan 0.000 0.449 1200 A N 0.145 122.869 122.820 -0.160 0.000 1.874 1200 A HA -0.059 4.261 4.320 0.001 0.000 0.214 1200 A C 2.126 179.273 177.584 -0.729 0.000 1.189 1200 A CA 1.610 53.361 52.037 -0.477 0.000 0.615 1200 A CB -0.442 18.327 19.000 -0.386 0.000 0.830 1200 A HN 0.475 nan 8.150 nan 0.000 0.443 1201 K N -0.022 120.166 120.400 -0.353 0.000 2.089 1201 K HA -0.188 4.133 4.320 0.001 0.000 0.210 1201 K C 1.938 178.422 176.600 -0.194 0.000 1.048 1201 K CA 1.884 58.052 56.287 -0.199 0.000 0.926 1201 K CB -0.428 31.968 32.500 -0.173 0.000 0.714 1201 K HN 0.450 nan 8.250 nan 0.000 0.448 1202 L N 1.025 122.128 121.223 -0.200 0.000 2.017 1202 L HA -0.204 4.137 4.340 0.001 0.000 0.208 1202 L C 2.671 179.493 176.870 -0.080 0.000 1.073 1202 L CA 0.956 55.749 54.840 -0.078 0.000 0.745 1202 L CB -0.373 41.712 42.059 0.044 0.000 0.894 1202 L HN 0.276 nan 8.230 nan 0.000 0.432 1203 L N -0.398 120.709 121.223 -0.192 0.000 2.021 1203 L HA -0.305 4.035 4.340 0.001 0.000 0.215 1203 L C 2.171 179.048 176.870 0.012 0.000 1.074 1203 L CA 2.099 56.848 54.840 -0.153 0.000 0.760 1203 L CB -0.758 41.121 42.059 -0.300 0.000 0.889 1203 L HN 0.176 nan 8.230 nan 0.000 0.433 1204 F N -0.735 119.220 119.950 0.010 0.000 2.075 1204 F HA -0.249 4.278 4.527 0.001 0.000 0.297 1204 F C 2.648 178.452 175.800 0.006 0.000 1.113 1204 F CA 1.121 59.124 58.000 0.005 0.000 1.218 1204 F CB -0.590 38.410 39.000 0.000 0.000 0.984 1204 F HN 0.152 nan 8.300 nan 0.000 0.472 1205 Q N 0.526 120.442 119.800 0.193 0.000 2.152 1205 Q HA -0.248 4.093 4.340 0.001 0.000 0.206 1205 Q C 1.921 177.972 176.000 0.085 0.000 0.985 1205 Q CA 1.920 57.789 55.803 0.110 0.000 0.863 1205 Q CB -0.359 28.419 28.738 0.066 0.000 0.904 1205 Q HN 0.583 nan 8.270 nan 0.000 0.422 1206 E N 0.485 120.731 120.200 0.076 0.000 2.072 1206 E HA -0.144 4.207 4.350 0.001 0.000 0.191 1206 E C 2.057 178.696 176.600 0.065 0.000 0.985 1206 E CA 0.749 57.185 56.400 0.059 0.000 0.801 1206 E CB -0.071 29.657 29.700 0.046 0.000 0.750 1206 E HN 0.315 nan 8.360 nan 0.000 0.452 1207 L N 0.256 121.534 121.223 0.091 0.000 2.083 1207 L HA -0.177 4.163 4.340 0.001 0.000 0.209 1207 L C 2.529 179.435 176.870 0.061 0.000 1.083 1207 L CA 0.976 55.865 54.840 0.081 0.000 0.752 1207 L CB -0.294 41.834 42.059 0.115 0.000 0.899 1207 L HN 0.213 nan 8.230 nan 0.000 0.433 1208 M N -0.546 119.095 119.600 0.069 0.000 2.086 1208 M HA -0.171 4.310 4.480 0.001 0.000 0.261 1208 M C 2.395 178.718 176.300 0.039 0.000 1.067 1208 M CA 1.906 57.235 55.300 0.047 0.000 1.116 1208 M CB -0.486 32.146 32.600 0.054 0.000 1.348 1208 M HN 0.274 nan 8.290 nan 0.000 0.407 1209 A N -0.500 122.346 122.820 0.043 0.000 2.178 1209 A HA -0.078 4.243 4.320 0.001 0.000 0.218 1209 A C 1.910 179.511 177.584 0.029 0.000 1.157 1209 A CA 1.178 53.235 52.037 0.035 0.000 0.689 1209 A CB -0.650 18.372 19.000 0.036 0.000 0.787 1209 A HN 0.517 nan 8.150 nan 0.000 0.465 1210 M N -1.152 118.466 119.600 0.030 0.000 2.419 1210 M HA 0.132 4.613 4.480 0.001 0.000 0.252 1210 M C 0.426 176.738 176.300 0.020 0.000 1.143 1210 M CA -0.050 55.265 55.300 0.024 0.000 0.985 1210 M CB 0.068 32.684 32.600 0.027 0.000 1.489 1210 M HN 0.556 nan 8.290 nan 0.000 0.484 1211 N N 1.500 120.212 118.700 0.020 0.000 2.818 1211 N HA -0.155 4.585 4.740 0.001 0.000 0.250 1211 N C -0.898 174.618 175.510 0.009 0.000 1.108 1211 N CA 0.484 53.542 53.050 0.014 0.000 0.745 1211 N CB -0.653 37.840 38.487 0.011 0.000 1.104 1211 N HN 0.381 nan 8.380 nan 0.000 0.557 1212 I N 1.306 121.884 120.570 0.012 0.000 2.441 1212 I HA 0.179 4.350 4.170 0.001 0.000 0.295 1212 I C 0.669 176.783 176.117 -0.005 0.000 0.994 1212 I CA -0.482 60.820 61.300 0.003 0.000 1.144 1212 I CB 1.790 39.796 38.000 0.009 0.000 1.314 1212 I HN 0.094 nan 8.210 nan 0.000 0.445 1213 T N 4.265 118.804 114.554 -0.026 0.000 2.753 1213 T HA 0.519 4.870 4.350 0.001 0.000 0.297 1213 T C -2.332 172.312 174.700 -0.093 0.000 0.981 1213 T CA -1.527 60.545 62.100 -0.048 0.000 0.956 1213 T CB 0.856 69.698 68.868 -0.044 0.000 0.936 1213 T HN 0.322 nan 8.240 nan 0.000 0.463 1214 P HA 0.427 nan 4.420 nan 0.000 0.298 1214 P C -0.616 176.506 177.300 -0.296 0.000 1.365 1214 P CA -0.758 62.189 63.100 -0.254 0.000 0.835 1214 P CB 0.909 32.383 31.700 -0.377 0.000 0.948 1215 R N 3.035 123.384 120.500 -0.253 0.000 2.404 1215 R HA 0.490 4.831 4.340 0.001 0.000 0.291 1215 R C -0.167 176.026 176.300 -0.178 0.000 1.025 1215 R CA -0.865 55.115 56.100 -0.200 0.000 0.991 1215 R CB 1.021 31.137 30.300 -0.307 0.000 1.053 1215 R HN 0.506 nan 8.270 nan 0.000 0.479 1216 L N 4.595 125.807 121.223 -0.018 0.000 2.295 1216 L HA 0.359 4.699 4.340 0.001 0.000 0.281 1216 L C -0.974 176.039 176.870 0.239 0.000 1.018 1216 L CA -0.606 54.242 54.840 0.013 0.000 0.841 1216 L CB 0.463 42.483 42.059 -0.064 0.000 1.218 1216 L HN 0.437 nan 8.230 nan 0.000 0.424 1217 Y N 1.167 121.368 120.300 -0.164 0.000 2.341 1217 Y HA 0.225 4.775 4.550 0.001 0.000 0.338 1217 Y C 1.588 177.369 175.900 -0.197 0.000 0.965 1217 Y CA -1.240 56.746 58.100 -0.189 0.000 1.108 1217 Y CB 1.917 40.294 38.460 -0.140 0.000 1.180 1217 Y HN 0.564 nan 8.280 nan 0.000 0.458 1218 T N -2.050 112.340 114.554 -0.272 0.000 3.160 1218 T HA 0.097 4.448 4.350 0.001 0.000 0.257 1218 T C -0.258 174.370 174.700 -0.120 0.000 1.147 1218 T CA 0.338 62.295 62.100 -0.238 0.000 1.064 1218 T CB -0.584 68.002 68.868 -0.470 0.000 0.949 1218 T HN 0.581 nan 8.240 nan 0.000 0.526 1219 D N -0.067 120.286 120.400 -0.078 0.000 2.661 1219 D HA 0.377 5.018 4.640 0.001 0.000 0.228 1219 D C -0.621 175.697 176.300 0.032 0.000 1.210 1219 D CA -1.182 52.808 54.000 -0.018 0.000 0.826 1219 D CB 1.186 41.970 40.800 -0.027 0.000 1.542 1219 D HN 0.311 nan 8.370 nan 0.000 0.447 1220 R N 0.005 120.525 120.500 0.034 0.000 2.404 1220 R HA 0.665 5.005 4.340 0.001 0.000 0.291 1220 R C -0.166 176.165 176.300 0.051 0.000 1.025 1220 R CA -0.698 55.430 56.100 0.046 0.000 0.991 1220 R CB 1.109 31.434 30.300 0.042 0.000 1.053 1220 R HN 0.593 nan 8.270 nan 0.000 0.479 1221 S N 0.958 116.692 115.700 0.058 0.000 2.651 1221 S HA 0.030 4.500 4.470 0.001 0.000 0.259 1221 S C 1.538 176.173 174.600 0.059 0.000 1.073 1221 S CA -0.618 57.615 58.200 0.056 0.000 1.090 1221 S CB 0.072 63.312 63.200 0.067 0.000 1.042 1221 S HN 0.720 nan 8.310 nan 0.000 0.581 1222 R N 1.624 122.162 120.500 0.063 0.000 2.275 1222 R HA 0.024 4.364 4.340 0.001 0.000 0.199 1222 R C 0.196 176.598 176.300 0.171 0.000 0.989 1222 R CA 0.965 57.120 56.100 0.092 0.000 1.016 1222 R CB -0.273 30.058 30.300 0.053 0.000 0.918 1222 R HN 0.393 nan 8.270 nan 0.000 0.473 1223 D N -1.223 119.256 120.400 0.132 0.000 3.935 1223 D HA -0.318 4.323 4.640 0.001 0.000 0.149 1223 D C -0.038 176.411 176.300 0.249 0.000 0.932 1223 D CA 1.933 56.014 54.000 0.136 0.000 1.083 1223 D CB -0.760 40.084 40.800 0.072 0.000 0.549 1223 D HN 0.069 nan 8.370 nan 0.000 0.577 1224 F N 0.000 119.949 119.950 -0.001 0.000 2.286 1224 F HA 0.000 4.527 4.527 0.001 0.000 0.279 1224 F CA 0.000 57.999 58.000 -0.001 0.000 1.383 1224 F CB 0.000 38.998 39.000 -0.003 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574