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 3cfr_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKEFYLTVEQ IGDSIFERYI DSNGRERTRE VEYKPSLFAH CPESQATKYF DATA SEQUENCE DIYGKPCTRK LFANMRDASQ WIKRMEDIGL EALGMDDFKL AYLSDTYNYE DATA SEQUENCE IKYDHTKIRV ANFDIEVTSP DGFPEPSQAK HPIDAITHYD SIDDRFYVFD DATA SEQUENCE LLNSPYGNVE EWSIEIAAKL QEQGGDEVPS EIIDKIIYMP FDNEKELLME DATA SEQUENCE YLNFWQQKTP VILTGWNVES FDIPYVYNRI KNIFGESTAK RLSPHRKTRV DATA SEQUENCE KVIENMYGSR EIITLFGISV LDYIDLYKKF SFTNQPSYSL DYISEFELNV DATA SEQUENCE GKLKYDGPIS KLRESNHQRY ISYNIIDVYR VLQIDAKRQF INLSLDMGYY DATA SEQUENCE AKIQIQSVFS PIKTWDAIIF NSLKEQNKVI PQGRSHPVQP YPGAFVKEPI DATA SEQUENCE PNRYKYVMSF DLTSLYPSII RQVNISPETI AGTFKVAPLH DYINAVAERP DATA SEQUENCE SDVYSCSPNG MMYYKDRDGV VPTEITKVFN QRKEHKGYML AAQRNGEIIK DATA SEQUENCE EALHNPNLSV DEPLDVDYRF DFSDEIKEKI KKLSAKSLNE MLFRAQRTEV DATA SEQUENCE AGMTAQINRK ALINGLAGAL GNVWFRYYDL RNATAITTFG QMALQWIERK DATA SEQUENCE VNEYLNEVCG TEGEAFVLYG DTDSIYVSAD KIIDKVGESK FRDTNHWVDF DATA SEQUENCE LDKFARERME PAIDRGFREM CEYMNNKQHL MFMDREAIAG PPLGSKGIGG DATA SEQUENCE FWTGKKRYAL NVWDMEGTRY AEPKLKIMGL ETQKSSTPKA VQKALKECIR DATA SEQUENCE RMLQEGEESL QEYFKEFEKE FRQLNYISIA SVSSANNIAK YDVGGFPGPK DATA SEQUENCE CPFHIRGILT YNRAIKGNID APQVVEGEKV YVLPLREGNP FGDKCIAWPS DATA SEQUENCE GTEITDLIKD DVLHWMDYTV LLEKTFIKPL EGFTSAAKLD YEKKASLFDM DATA SEQUENCE F 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.353 176.300 0.089 0.000 1.140 1 M CA 0.000 55.342 55.300 0.070 0.000 0.988 1 M CB 0.000 32.654 32.600 0.090 0.000 1.302 2 K N 3.050 123.512 120.400 0.104 0.000 2.326 2 K HA 0.259 4.582 4.320 0.006 0.000 0.275 2 K C -0.423 176.361 176.600 0.307 0.000 1.018 2 K CA -0.136 56.231 56.287 0.133 0.000 0.962 2 K CB 0.765 33.323 32.500 0.096 0.000 0.953 2 K HN 0.632 nan 8.250 nan 0.000 0.475 3 E N 1.920 122.344 120.200 0.372 0.000 2.343 3 E HA 0.256 4.609 4.350 0.006 0.000 0.269 3 E C -0.568 176.426 176.600 0.656 0.000 1.047 3 E CA -0.321 56.356 56.400 0.461 0.000 0.874 3 E CB 0.503 30.475 29.700 0.453 0.000 1.033 3 E HN 0.331 nan 8.360 nan 0.000 0.409 4 F N -0.468 119.655 119.950 0.289 0.000 2.591 4 F HA 0.389 4.919 4.527 0.006 0.000 0.309 4 F C -0.758 175.052 175.800 0.017 0.000 1.098 4 F CA -1.731 56.243 58.000 -0.044 0.000 0.937 4 F CB 0.237 39.051 39.000 -0.311 0.000 1.250 4 F HN 0.401 nan 8.300 nan 0.000 0.447 5 Y N 1.495 121.697 120.300 -0.163 0.000 2.426 5 Y HA 0.511 5.064 4.550 0.006 0.000 0.344 5 Y C -0.179 175.903 175.900 0.304 0.000 1.256 5 Y CA -0.793 57.377 58.100 0.117 0.000 1.451 5 Y CB 0.157 38.639 38.460 0.037 0.000 1.342 5 Y HN 0.602 nan 8.280 nan 0.000 0.600 6 L N 1.154 122.608 121.223 0.385 0.000 2.453 6 L HA 0.243 4.587 4.340 0.006 0.000 0.190 6 L C 0.808 177.899 176.870 0.369 0.000 1.093 6 L CA 1.457 56.474 54.840 0.296 0.000 0.834 6 L CB -0.757 41.416 42.059 0.189 0.000 1.090 6 L HN 1.027 nan 8.230 nan 0.000 0.489 7 T N -3.004 111.787 114.554 0.395 0.000 2.883 7 T HA 0.681 5.034 4.350 0.006 0.000 0.301 7 T C -1.082 173.800 174.700 0.303 0.000 1.158 7 T CA -0.700 61.592 62.100 0.321 0.000 1.007 7 T CB 2.321 71.341 68.868 0.253 0.000 1.186 7 T HN -0.133 nan 8.240 nan 0.000 0.499 8 V N 0.939 120.965 119.914 0.187 0.000 2.777 8 V HA 0.708 4.832 4.120 0.006 0.000 0.306 8 V C -1.847 174.301 176.094 0.090 0.000 1.112 8 V CA -0.446 61.918 62.300 0.107 0.000 0.917 8 V CB 1.880 33.711 31.823 0.013 0.000 1.018 8 V HN 1.080 nan 8.190 nan 0.000 0.426 9 E N 4.228 124.486 120.200 0.095 0.000 2.367 9 E HA 0.372 4.725 4.350 0.006 0.000 0.273 9 E C -1.479 175.209 176.600 0.146 0.000 0.903 9 E CA -0.625 55.876 56.400 0.167 0.000 0.764 9 E CB 2.622 32.509 29.700 0.312 0.000 1.252 9 E HN 0.757 nan 8.360 nan 0.000 0.446 10 Q N 2.349 122.264 119.800 0.192 0.000 2.325 10 Q HA 0.495 4.838 4.340 0.006 0.000 0.262 10 Q C -1.006 175.116 176.000 0.203 0.000 0.968 10 Q CA -0.381 55.529 55.803 0.177 0.000 0.877 10 Q CB 0.688 29.530 28.738 0.174 0.000 1.253 10 Q HN 0.504 nan 8.270 nan 0.000 0.448 11 I N 5.009 125.693 120.570 0.191 0.000 2.466 11 I HA 0.344 4.518 4.170 0.006 0.000 0.279 11 I C 0.820 177.001 176.117 0.107 0.000 1.033 11 I CA -0.324 61.028 61.300 0.086 0.000 1.123 11 I CB 1.168 39.167 38.000 -0.001 0.000 1.237 11 I HN 1.036 nan 8.210 nan 0.000 0.460 12 G N 5.723 114.556 108.800 0.054 0.000 2.634 12 G HA2 -0.310 3.654 3.960 0.006 0.000 0.318 12 G HA3 -0.310 3.654 3.960 0.006 0.000 0.318 12 G C 0.420 175.351 174.900 0.052 0.000 1.207 12 G CA 0.586 45.714 45.100 0.047 0.000 0.987 12 G HN 0.583 nan 8.290 nan 0.000 0.547 13 D N 1.348 121.764 120.400 0.028 0.000 2.368 13 D HA 0.421 5.064 4.640 0.006 0.000 0.218 13 D C 0.413 176.699 176.300 -0.023 0.000 1.112 13 D CA 0.591 54.589 54.000 -0.004 0.000 0.834 13 D CB 0.593 41.378 40.800 -0.026 0.000 0.953 13 D HN 0.230 nan 8.370 nan 0.000 0.505 14 S N 0.540 116.230 115.700 -0.017 0.000 2.482 14 S HA 0.417 4.890 4.470 0.006 0.000 0.303 14 S C -0.112 174.406 174.600 -0.138 0.000 1.091 14 S CA -0.652 57.459 58.200 -0.148 0.000 1.057 14 S CB 1.782 64.786 63.200 -0.327 0.000 1.031 14 S HN -0.001 nan 8.310 nan 0.000 0.485 15 I N 3.414 123.820 120.570 -0.273 0.000 2.325 15 I HA 0.294 4.468 4.170 0.006 0.000 0.291 15 I C -0.739 175.090 176.117 -0.480 0.000 1.019 15 I CA -0.287 60.795 61.300 -0.363 0.000 1.302 15 I CB 0.110 37.657 38.000 -0.755 0.000 1.401 15 I HN 0.523 nan 8.210 nan 0.000 0.485 16 F N 5.115 124.892 119.950 -0.289 0.000 2.404 16 F HA 0.346 4.876 4.527 0.006 0.000 0.354 16 F C 0.745 176.427 175.800 -0.196 0.000 1.122 16 F CA -0.347 57.449 58.000 -0.339 0.000 1.080 16 F CB 1.016 39.561 39.000 -0.758 0.000 1.131 16 F HN 0.415 nan 8.300 nan 0.000 0.471 17 E N 4.418 124.680 120.200 0.105 0.000 2.224 17 E HA 0.425 4.778 4.350 0.006 0.000 0.265 17 E C -0.922 175.933 176.600 0.425 0.000 0.878 17 E CA -0.916 55.640 56.400 0.259 0.000 0.759 17 E CB 1.270 31.125 29.700 0.258 0.000 1.164 17 E HN 0.603 nan 8.360 nan 0.000 0.414 18 R N 2.940 123.698 120.500 0.430 0.000 2.407 18 R HA 0.409 4.753 4.340 0.006 0.000 0.303 18 R C -0.962 175.590 176.300 0.421 0.000 0.981 18 R CA -0.509 55.807 56.100 0.360 0.000 0.905 18 R CB 0.943 31.391 30.300 0.246 0.000 1.099 18 R HN 0.441 nan 8.270 nan 0.000 0.459 19 Y N -0.542 119.837 120.300 0.131 0.000 2.670 19 Y HA 0.539 5.092 4.550 0.006 0.000 0.334 19 Y C -1.337 174.503 175.900 -0.100 0.000 1.185 19 Y CA -1.592 56.550 58.100 0.070 0.000 1.053 19 Y CB 1.079 39.673 38.460 0.224 0.000 1.298 19 Y HN 0.195 nan 8.280 nan 0.000 0.459 20 I N 3.683 124.078 120.570 -0.292 0.000 2.339 20 I HA 0.200 4.373 4.170 0.006 0.000 0.290 20 I C -0.433 175.610 176.117 -0.124 0.000 0.994 20 I CA -0.508 60.522 61.300 -0.450 0.000 1.191 20 I CB 0.844 38.276 38.000 -0.946 0.000 1.343 20 I HN 0.852 nan 8.210 nan 0.000 0.458 21 D N 4.012 124.350 120.400 -0.103 0.000 2.433 21 D HA 0.062 4.705 4.640 0.006 0.000 0.255 21 D C 1.121 177.478 176.300 0.095 0.000 1.226 21 D CA -0.438 53.636 54.000 0.124 0.000 1.015 21 D CB 0.459 41.310 40.800 0.085 0.000 1.091 21 D HN 0.446 nan 8.370 nan 0.000 0.527 22 S N -0.686 115.087 115.700 0.122 0.000 2.465 22 S HA -0.184 4.290 4.470 0.006 0.000 0.241 22 S C 0.953 175.588 174.600 0.058 0.000 1.000 22 S CA 0.563 58.818 58.200 0.091 0.000 0.964 22 S CB -0.524 62.721 63.200 0.076 0.000 0.763 22 S HN 0.507 nan 8.310 nan 0.000 0.512 23 N N 1.015 119.738 118.700 0.039 0.000 2.280 23 N HA 0.217 4.961 4.740 0.006 0.000 0.192 23 N C 1.152 176.668 175.510 0.010 0.000 1.109 23 N CA 0.727 53.790 53.050 0.021 0.000 0.855 23 N CB 0.686 39.180 38.487 0.012 0.000 0.974 23 N HN 0.657 nan 8.380 nan 0.000 0.482 24 G N 1.174 109.978 108.800 0.006 0.000 2.141 24 G HA2 -0.273 3.691 3.960 0.006 0.000 0.231 24 G HA3 -0.273 3.691 3.960 0.006 0.000 0.231 24 G C 0.050 174.920 174.900 -0.050 0.000 0.984 24 G CA -0.300 44.799 45.100 -0.002 0.000 0.660 24 G HN 0.271 nan 8.290 nan 0.000 0.525 25 R N 0.494 120.945 120.500 -0.081 0.000 2.407 25 R HA 0.536 4.880 4.340 0.006 0.000 0.303 25 R C 0.303 176.485 176.300 -0.197 0.000 0.981 25 R CA -0.626 55.407 56.100 -0.112 0.000 0.905 25 R CB 1.225 31.472 30.300 -0.088 0.000 1.099 25 R HN 0.394 nan 8.270 nan 0.000 0.459 26 E N 2.238 122.330 120.200 -0.181 0.000 2.384 26 E HA 0.068 4.421 4.350 0.006 0.000 0.266 26 E C -0.566 175.874 176.600 -0.267 0.000 1.012 26 E CA 0.079 56.345 56.400 -0.223 0.000 0.901 26 E CB 0.641 30.253 29.700 -0.147 0.000 0.967 26 E HN 0.241 nan 8.360 nan 0.000 0.435 27 R N 1.429 121.686 120.500 -0.405 0.000 2.739 27 R HA 0.496 4.840 4.340 0.006 0.000 0.271 27 R C -1.609 174.543 176.300 -0.247 0.000 1.010 27 R CA -0.452 55.378 56.100 -0.450 0.000 0.897 27 R CB 2.371 32.090 30.300 -0.970 0.000 1.236 27 R HN 0.524 nan 8.270 nan 0.000 0.466 28 T N 2.048 116.606 114.554 0.007 0.000 2.912 28 T HA 0.646 4.999 4.350 0.006 0.000 0.299 28 T C -1.340 173.532 174.700 0.287 0.000 1.052 28 T CA -1.016 61.217 62.100 0.222 0.000 0.996 28 T CB 1.464 70.463 68.868 0.218 0.000 1.070 28 T HN 0.663 nan 8.240 nan 0.000 0.465 29 R N 0.852 121.541 120.500 0.314 0.000 2.740 29 R HA 0.678 5.022 4.340 0.006 0.000 0.273 29 R C -1.437 174.852 176.300 -0.018 0.000 0.998 29 R CA -1.052 55.150 56.100 0.170 0.000 0.900 29 R CB 2.114 32.527 30.300 0.189 0.000 1.223 29 R HN 0.611 nan 8.270 nan 0.000 0.466 30 E N 2.464 122.567 120.200 -0.162 0.000 2.102 30 E HA 0.294 4.648 4.350 0.006 0.000 0.263 30 E C -1.275 175.135 176.600 -0.316 0.000 0.894 30 E CA -0.796 55.302 56.400 -0.503 0.000 0.746 30 E CB 1.760 31.108 29.700 -0.586 0.000 1.129 30 E HN 0.426 nan 8.360 nan 0.000 0.416 31 V N 4.598 124.324 119.914 -0.314 0.000 2.398 31 V HA 0.165 4.288 4.120 0.006 0.000 0.286 31 V C 0.063 176.080 176.094 -0.127 0.000 1.026 31 V CA -0.691 61.526 62.300 -0.139 0.000 0.868 31 V CB 1.509 33.327 31.823 -0.008 0.000 0.982 31 V HN 0.719 nan 8.190 nan 0.000 0.443 32 E N 3.826 123.988 120.200 -0.063 0.000 2.148 32 E HA 0.078 4.431 4.350 0.006 0.000 0.308 32 E C -0.698 175.911 176.600 0.015 0.000 1.278 32 E CA -0.251 56.121 56.400 -0.047 0.000 1.368 32 E CB -0.035 29.632 29.700 -0.054 0.000 1.229 32 E HN 0.621 nan 8.360 nan 0.000 0.494 33 Y N 2.325 122.574 120.300 -0.086 0.000 2.632 33 Y HA -0.050 4.503 4.550 0.006 0.000 0.329 33 Y C -0.012 175.850 175.900 -0.064 0.000 1.174 33 Y CA -0.129 57.956 58.100 -0.025 0.000 1.469 33 Y CB 0.374 38.846 38.460 0.020 0.000 1.242 33 Y HN 0.019 nan 8.280 nan 0.000 0.540 34 K N 9.424 129.462 120.400 -0.604 0.000 2.268 34 K HA 0.290 4.614 4.320 0.006 0.000 0.276 34 K C -2.555 173.521 176.600 -0.873 0.000 1.080 34 K CA -1.766 54.181 56.287 -0.566 0.000 0.910 34 K CB 0.774 33.081 32.500 -0.322 0.000 1.163 34 K HN 0.471 nan 8.250 nan 0.000 0.465 35 P HA 0.186 nan 4.420 nan 0.000 0.282 35 P C -0.709 176.469 177.300 -0.203 0.000 1.259 35 P CA -0.609 62.183 63.100 -0.512 0.000 0.826 35 P CB 1.331 32.692 31.700 -0.566 0.000 1.064 36 S N 0.610 116.258 115.700 -0.086 0.000 2.537 36 S HA 0.673 5.146 4.470 0.006 0.000 0.301 36 S C -0.089 174.474 174.600 -0.063 0.000 1.092 36 S CA -0.516 57.571 58.200 -0.189 0.000 1.048 36 S CB 0.412 63.397 63.200 -0.358 0.000 1.053 36 S HN 0.300 nan 8.310 nan 0.000 0.501 37 L N 1.492 122.585 121.223 -0.217 0.000 2.277 37 L HA 0.731 5.074 4.340 0.006 0.000 0.254 37 L C -1.565 174.995 176.870 -0.518 0.000 1.044 37 L CA -0.842 53.975 54.840 -0.038 0.000 0.842 37 L CB 1.421 43.683 42.059 0.338 0.000 1.422 37 L HN 0.536 nan 8.230 nan 0.000 0.422 38 F N 0.046 120.043 119.950 0.078 0.000 2.588 38 F HA 0.805 5.335 4.527 0.006 0.000 0.314 38 F C -0.004 175.907 175.800 0.184 0.000 1.069 38 F CA -0.684 57.327 58.000 0.019 0.000 0.931 38 F CB 2.107 41.087 39.000 -0.034 0.000 1.260 38 F HN 0.356 nan 8.300 nan 0.000 0.465 39 A N 0.801 123.786 122.820 0.276 0.000 2.414 39 A HA 0.606 4.929 4.320 0.006 0.000 0.306 39 A C -1.158 176.494 177.584 0.114 0.000 1.054 39 A CA -0.742 51.441 52.037 0.244 0.000 0.724 39 A CB 0.775 19.994 19.000 0.365 0.000 1.267 39 A HN 0.759 nan 8.150 nan 0.000 0.418 40 H N 0.107 119.296 119.070 0.199 0.000 2.972 40 H HA 0.269 4.829 4.556 0.006 0.000 0.343 40 H C 0.594 175.993 175.328 0.118 0.000 1.054 40 H CA 1.119 57.255 56.048 0.147 0.000 1.412 40 H CB 0.557 30.393 29.762 0.125 0.000 1.385 40 H HN 0.933 nan 8.280 nan 0.000 0.600 41 C N 3.238 122.668 119.300 0.216 0.000 2.971 41 C HA 0.644 5.107 4.460 0.006 0.000 0.310 41 C C -2.366 172.694 174.990 0.118 0.000 1.285 41 C CA -2.142 56.958 59.018 0.137 0.000 1.593 41 C CB 1.797 29.591 27.740 0.090 0.000 2.076 41 C HN 0.551 nan 8.230 nan 0.000 0.472 42 P HA 0.170 nan 4.420 nan 0.000 0.272 42 P C 0.490 177.836 177.300 0.076 0.000 1.240 42 P CA 0.283 63.428 63.100 0.075 0.000 0.791 42 P CB 0.580 32.314 31.700 0.057 0.000 0.978 43 E N 0.605 120.853 120.200 0.081 0.000 2.153 43 E HA -0.147 4.206 4.350 0.006 0.000 0.194 43 E C 1.626 178.270 176.600 0.073 0.000 0.988 43 E CA 1.276 57.732 56.400 0.093 0.000 0.811 43 E CB -0.133 29.622 29.700 0.092 0.000 0.746 43 E HN 0.360 nan 8.360 nan 0.000 0.466 44 S N 1.136 116.870 115.700 0.056 0.000 2.389 44 S HA -0.202 4.271 4.470 0.006 0.000 0.231 44 S C 0.717 175.340 174.600 0.039 0.000 1.052 44 S CA 1.095 59.321 58.200 0.043 0.000 1.053 44 S CB -0.275 62.947 63.200 0.036 0.000 0.886 44 S HN 0.324 nan 8.310 nan 0.000 0.456 45 Q N 1.405 121.229 119.800 0.039 0.000 2.281 45 Q HA 0.496 4.840 4.340 0.006 0.000 0.267 45 Q C -0.349 175.665 176.000 0.024 0.000 1.053 45 Q CA -0.046 55.773 55.803 0.027 0.000 0.905 45 Q CB 0.272 29.024 28.738 0.024 0.000 1.195 45 Q HN 0.346 nan 8.270 nan 0.000 0.398 46 A N 3.795 126.628 122.820 0.022 0.000 2.395 46 A HA 0.474 4.797 4.320 0.006 0.000 0.286 46 A C -0.055 177.522 177.584 -0.012 0.000 1.193 46 A CA -0.073 51.978 52.037 0.024 0.000 0.852 46 A CB 0.112 19.130 19.000 0.029 0.000 1.118 46 A HN 0.626 nan 8.150 nan 0.000 0.524 47 T N 1.127 115.644 114.554 -0.063 0.000 2.907 47 T HA 0.469 4.823 4.350 0.006 0.000 0.290 47 T C 0.811 175.386 174.700 -0.208 0.000 1.066 47 T CA -0.546 61.470 62.100 -0.141 0.000 1.012 47 T CB 1.842 70.611 68.868 -0.165 0.000 1.184 47 T HN 0.653 nan 8.240 nan 0.000 0.522 48 K N -0.688 119.519 120.400 -0.321 0.000 2.358 48 K HA 0.227 4.550 4.320 0.006 0.000 0.197 48 K C -0.740 175.627 176.600 -0.389 0.000 1.025 48 K CA -0.054 56.051 56.287 -0.304 0.000 1.104 48 K CB 0.029 32.304 32.500 -0.375 0.000 0.855 48 K HN 0.533 nan 8.250 nan 0.000 0.531 49 Y N 0.766 120.950 120.300 -0.192 0.000 2.331 49 Y HA 0.460 5.014 4.550 0.006 0.000 0.338 49 Y C -0.622 175.012 175.900 -0.443 0.000 0.992 49 Y CA -1.309 56.697 58.100 -0.156 0.000 1.121 49 Y CB 0.829 39.303 38.460 0.023 0.000 1.184 49 Y HN -0.180 nan 8.280 nan 0.000 0.469 50 F N 1.865 121.894 119.950 0.130 0.000 2.565 50 F HA 0.275 4.805 4.527 0.006 0.000 0.313 50 F C -0.058 175.779 175.800 0.061 0.000 1.091 50 F CA -1.370 56.691 58.000 0.103 0.000 0.915 50 F CB 1.452 40.499 39.000 0.078 0.000 1.208 50 F HN 0.512 nan 8.300 nan 0.000 0.453 51 D N 1.704 122.276 120.400 0.286 0.000 2.384 51 D HA 0.038 4.682 4.640 0.006 0.000 0.244 51 D C 1.303 177.695 176.300 0.153 0.000 1.251 51 D CA -0.301 53.824 54.000 0.208 0.000 0.961 51 D CB 0.494 41.487 40.800 0.323 0.000 1.116 51 D HN 0.635 nan 8.370 nan 0.000 0.484 52 I N -2.929 117.636 120.570 -0.009 0.000 2.700 52 I HA -0.156 4.018 4.170 0.006 0.000 0.261 52 I C 0.859 176.825 176.117 -0.252 0.000 1.219 52 I CA 0.746 61.932 61.300 -0.190 0.000 1.463 52 I CB -0.640 37.166 38.000 -0.324 0.000 1.092 52 I HN 0.221 nan 8.210 nan 0.000 0.452 53 Y N 1.980 122.365 120.300 0.141 0.000 2.466 53 Y HA 0.418 4.972 4.550 0.006 0.000 0.272 53 Y C 1.917 177.886 175.900 0.115 0.000 1.169 53 Y CA 0.260 58.435 58.100 0.126 0.000 1.285 53 Y CB 0.348 38.880 38.460 0.119 0.000 1.078 53 Y HN 0.358 nan 8.280 nan 0.000 0.523 54 G N 0.789 109.731 108.800 0.237 0.000 2.132 54 G HA2 -0.277 3.687 3.960 0.006 0.000 0.234 54 G HA3 -0.277 3.687 3.960 0.006 0.000 0.234 54 G C 0.005 175.099 174.900 0.322 0.000 0.989 54 G CA -0.394 44.810 45.100 0.173 0.000 0.676 54 G HN 0.310 nan 8.290 nan 0.000 0.522 55 K N 1.648 122.289 120.400 0.401 0.000 2.234 55 K HA 0.423 4.746 4.320 0.006 0.000 0.282 55 K C -2.106 174.778 176.600 0.474 0.000 1.039 55 K CA -1.830 54.697 56.287 0.400 0.000 0.928 55 K CB 1.446 34.130 32.500 0.307 0.000 1.039 55 K HN 0.069 nan 8.250 nan 0.000 0.470 56 P HA -0.033 nan 4.420 nan 0.000 0.265 56 P C -0.643 176.704 177.300 0.078 0.000 1.193 56 P CA -0.199 62.908 63.100 0.012 0.000 0.765 56 P CB 0.501 32.234 31.700 0.055 0.000 0.823 57 C N 2.171 121.447 119.300 -0.040 0.000 2.482 57 C HA 0.442 4.906 4.460 0.006 0.000 0.317 57 C C 0.642 175.723 174.990 0.152 0.000 1.197 57 C CA -0.134 58.945 59.018 0.102 0.000 1.432 57 C CB 1.663 29.481 27.740 0.131 0.000 2.062 57 C HN 0.559 nan 8.230 nan 0.000 0.471 58 T N 2.713 117.347 114.554 0.133 0.000 2.856 58 T HA 0.338 4.692 4.350 0.006 0.000 0.292 58 T C 0.022 174.704 174.700 -0.029 0.000 0.980 58 T CA -0.198 61.946 62.100 0.074 0.000 1.091 58 T CB 0.219 69.094 68.868 0.012 0.000 0.936 58 T HN 0.742 nan 8.240 nan 0.000 0.503 59 R N 3.702 124.097 120.500 -0.175 0.000 2.390 59 R HA 0.338 4.682 4.340 0.006 0.000 0.291 59 R C -0.478 175.432 176.300 -0.650 0.000 1.070 59 R CA -0.392 55.273 56.100 -0.725 0.000 1.014 59 R CB 0.375 30.221 30.300 -0.756 0.000 1.007 59 R HN 0.573 nan 8.270 nan 0.000 0.466 60 K N 5.248 125.123 120.400 -0.876 0.000 2.425 60 K HA 0.266 4.590 4.320 0.006 0.000 0.259 60 K C -0.936 174.983 176.600 -1.135 0.000 0.978 60 K CA -0.642 55.050 56.287 -0.993 0.000 0.883 60 K CB 1.567 33.309 32.500 -1.264 0.000 1.110 60 K HN 0.368 nan 8.250 nan 0.000 0.436 61 L N 5.356 126.039 121.223 -0.900 0.000 2.257 61 L HA 0.436 4.779 4.340 0.006 0.000 0.290 61 L C -1.157 175.260 176.870 -0.753 0.000 1.044 61 L CA -0.323 54.107 54.840 -0.683 0.000 0.810 61 L CB 0.114 41.923 42.059 -0.417 0.000 1.193 61 L HN 0.508 nan 8.230 nan 0.000 0.425 62 F N 2.824 122.561 119.950 -0.356 0.000 2.397 62 F HA 0.379 4.909 4.527 0.006 0.000 0.331 62 F C 1.402 177.045 175.800 -0.263 0.000 1.090 62 F CA -0.327 57.488 58.000 -0.309 0.000 1.065 62 F CB 1.565 40.368 39.000 -0.328 0.000 1.184 62 F HN 0.645 nan 8.300 nan 0.000 0.499 63 A N 2.293 125.099 122.820 -0.023 0.000 1.940 63 A HA -0.113 4.210 4.320 0.006 0.000 0.219 63 A C 0.436 177.971 177.584 -0.082 0.000 1.176 63 A CA 2.027 54.025 52.037 -0.065 0.000 0.631 63 A CB -0.914 18.060 19.000 -0.043 0.000 0.814 63 A HN 0.891 nan 8.150 nan 0.000 0.446 64 N N -4.398 114.255 118.700 -0.078 0.000 3.204 64 N HA 0.468 5.211 4.740 0.006 0.000 0.285 64 N C 0.050 175.431 175.510 -0.215 0.000 1.536 64 N CA -0.544 52.430 53.050 -0.127 0.000 0.832 64 N CB 0.314 38.751 38.487 -0.083 0.000 1.645 64 N HN -0.058 nan 8.380 nan 0.000 0.586 65 M N -0.346 119.107 119.600 -0.245 0.000 2.200 65 M HA 0.006 4.490 4.480 0.006 0.000 0.265 65 M C 1.910 178.068 176.300 -0.236 0.000 1.066 65 M CA 1.292 56.349 55.300 -0.405 0.000 1.127 65 M CB -0.274 32.181 32.600 -0.241 0.000 1.379 65 M HN 0.631 nan 8.290 nan 0.000 0.420 66 R N -0.191 120.249 120.500 -0.100 0.000 2.148 66 R HA -0.111 4.232 4.340 0.006 0.000 0.227 66 R C 1.065 177.321 176.300 -0.073 0.000 1.103 66 R CA 1.551 57.627 56.100 -0.040 0.000 0.983 66 R CB -0.596 29.696 30.300 -0.013 0.000 0.874 66 R HN 0.214 nan 8.270 nan 0.000 0.451 67 D N 1.409 121.738 120.400 -0.117 0.000 2.144 67 D HA -0.034 4.610 4.640 0.006 0.000 0.200 67 D C 1.983 178.051 176.300 -0.388 0.000 0.978 67 D CA 1.656 55.588 54.000 -0.112 0.000 0.833 67 D CB -0.152 40.653 40.800 0.007 0.000 0.961 67 D HN 0.408 nan 8.370 nan 0.000 0.470 68 A N 0.226 122.620 122.820 -0.709 0.000 1.898 68 A HA -0.128 4.196 4.320 0.006 0.000 0.216 68 A C 2.419 179.836 177.584 -0.279 0.000 1.181 68 A CA 1.656 53.006 52.037 -1.144 0.000 0.620 68 A CB -0.529 17.877 19.000 -0.991 0.000 0.819 68 A HN 0.135 nan 8.150 nan 0.000 0.442 69 S N -0.435 115.255 115.700 -0.017 0.000 2.382 69 S HA -0.142 4.331 4.470 0.006 0.000 0.228 69 S C 2.133 176.751 174.600 0.030 0.000 1.027 69 S CA 1.272 59.528 58.200 0.093 0.000 0.991 69 S CB -0.245 63.031 63.200 0.127 0.000 0.823 69 S HN 0.566 nan 8.310 nan 0.000 0.469 70 Q N -0.648 119.155 119.800 0.006 0.000 2.167 70 Q HA -0.061 4.283 4.340 0.006 0.000 0.202 70 Q C 1.731 177.772 176.000 0.068 0.000 0.970 70 Q CA 0.864 56.684 55.803 0.029 0.000 0.855 70 Q CB -0.328 28.429 28.738 0.033 0.000 0.911 70 Q HN 0.751 nan 8.270 nan 0.000 0.438 71 W N 1.274 122.502 121.300 -0.120 0.000 2.379 71 W HA -0.085 4.578 4.660 0.006 0.000 0.307 71 W C 1.819 178.322 176.519 -0.027 0.000 1.200 71 W CA 0.995 58.309 57.345 -0.052 0.000 1.297 71 W CB -0.387 29.041 29.460 -0.052 0.000 1.140 71 W HN 0.004 nan 8.180 nan 0.000 0.507 72 I N 0.939 121.516 120.570 0.011 0.000 2.194 72 I HA -0.389 3.784 4.170 0.006 0.000 0.246 72 I C 2.373 178.380 176.117 -0.184 0.000 1.093 72 I CA 1.916 63.133 61.300 -0.139 0.000 1.355 72 I CB -0.690 37.316 38.000 0.010 0.000 1.046 72 I HN -0.054 nan 8.210 nan 0.000 0.413 73 K N 0.900 121.238 120.400 -0.102 0.000 2.026 73 K HA -0.119 4.204 4.320 0.006 0.000 0.208 73 K C 2.210 178.738 176.600 -0.120 0.000 1.048 73 K CA 1.418 57.653 56.287 -0.087 0.000 0.929 73 K CB -0.063 32.412 32.500 -0.041 0.000 0.713 73 K HN 0.144 nan 8.250 nan 0.000 0.439 74 R N -0.622 119.794 120.500 -0.141 0.000 2.148 74 R HA 0.028 4.371 4.340 0.006 0.000 0.223 74 R C 2.037 178.203 176.300 -0.224 0.000 1.088 74 R CA 0.902 56.918 56.100 -0.140 0.000 0.985 74 R CB -0.073 30.183 30.300 -0.074 0.000 0.880 74 R HN 0.224 nan 8.270 nan 0.000 0.451 75 M N 0.393 119.754 119.600 -0.399 0.000 2.229 75 M HA -0.121 4.362 4.480 0.006 0.000 0.264 75 M C 1.973 178.128 176.300 -0.241 0.000 1.063 75 M CA 1.375 56.419 55.300 -0.427 0.000 1.114 75 M CB -0.573 31.584 32.600 -0.737 0.000 1.387 75 M HN 0.190 nan 8.290 nan 0.000 0.420 76 E N 0.539 120.620 120.200 -0.198 0.000 2.047 76 E HA -0.206 4.147 4.350 0.006 0.000 0.191 76 E C 1.263 177.805 176.600 -0.096 0.000 0.987 76 E CA 1.221 57.546 56.400 -0.126 0.000 0.799 76 E CB 0.171 29.808 29.700 -0.105 0.000 0.752 76 E HN 0.371 nan 8.360 nan 0.000 0.449 77 D N 0.399 120.744 120.400 -0.092 0.000 2.182 77 D HA -0.157 4.487 4.640 0.006 0.000 0.201 77 D C 1.930 178.194 176.300 -0.060 0.000 0.986 77 D CA 0.917 54.878 54.000 -0.065 0.000 0.847 77 D CB -0.111 40.655 40.800 -0.056 0.000 0.942 77 D HN 0.328 nan 8.370 nan 0.000 0.467 78 I N -0.500 120.023 120.570 -0.077 0.000 2.584 78 I HA 0.023 4.197 4.170 0.006 0.000 0.255 78 I C 1.333 177.418 176.117 -0.053 0.000 1.145 78 I CA 0.763 62.027 61.300 -0.060 0.000 1.462 78 I CB 0.059 38.019 38.000 -0.067 0.000 1.102 78 I HN 0.087 nan 8.210 nan 0.000 0.433 79 G N 1.781 110.540 108.800 -0.068 0.000 2.270 79 G HA2 -0.182 3.781 3.960 0.006 0.000 0.224 79 G HA3 -0.182 3.781 3.960 0.006 0.000 0.224 79 G C -0.340 174.534 174.900 -0.043 0.000 1.079 79 G CA -0.451 44.617 45.100 -0.053 0.000 0.807 79 G HN 0.193 nan 8.290 nan 0.000 0.492 80 L N -0.489 120.695 121.223 -0.064 0.000 2.354 80 L HA 0.582 4.925 4.340 0.006 0.000 0.264 80 L C 0.523 177.362 176.870 -0.052 0.000 1.008 80 L CA -1.035 53.785 54.840 -0.034 0.000 0.819 80 L CB 2.064 44.108 42.059 -0.024 0.000 1.339 80 L HN 0.261 nan 8.230 nan 0.000 0.420 81 E N 1.514 121.731 120.200 0.029 0.000 2.324 81 E HA 0.329 4.682 4.350 0.006 0.000 0.271 81 E C -0.713 175.888 176.600 0.003 0.000 1.028 81 E CA -0.384 56.039 56.400 0.038 0.000 0.890 81 E CB 1.129 30.915 29.700 0.144 0.000 1.004 81 E HN 0.588 nan 8.360 nan 0.000 0.431 82 A N 5.953 128.746 122.820 -0.045 0.000 2.341 82 A HA 0.347 4.670 4.320 0.006 0.000 0.326 82 A C -0.738 176.954 177.584 0.180 0.000 1.402 82 A CA -0.598 51.449 52.037 0.017 0.000 0.957 82 A CB 0.081 18.969 19.000 -0.187 0.000 1.151 82 A HN 0.541 nan 8.150 nan 0.000 0.533 83 L N 2.026 123.405 121.223 0.261 0.000 2.421 83 L HA 0.803 5.147 4.340 0.006 0.000 0.263 83 L C 1.019 178.093 176.870 0.340 0.000 1.122 83 L CA 1.130 56.102 54.840 0.220 0.000 0.804 83 L CB 0.944 43.079 42.059 0.128 0.000 1.150 83 L HN 1.154 nan 8.230 nan 0.000 0.457 84 G N 1.460 110.402 108.800 0.237 0.000 2.479 84 G HA2 0.013 3.976 3.960 0.006 0.000 0.686 84 G HA3 0.013 3.976 3.960 0.006 0.000 0.686 84 G C -1.039 173.913 174.900 0.086 0.000 1.295 84 G CA -0.776 44.490 45.100 0.277 0.000 0.922 84 G HN 0.532 nan 8.290 nan 0.000 0.582 85 M N 2.387 121.960 119.600 -0.045 0.000 2.341 85 M HA 0.294 4.778 4.480 0.006 0.000 0.336 85 M C 1.555 177.749 176.300 -0.176 0.000 1.489 85 M CA -0.514 54.594 55.300 -0.319 0.000 1.278 85 M CB 0.067 32.106 32.600 -0.935 0.000 1.657 85 M HN 0.595 nan 8.290 nan 0.000 0.455 86 D N 1.554 121.800 120.400 -0.256 0.000 2.317 86 D HA -0.087 4.556 4.640 0.006 0.000 0.211 86 D C -0.315 175.482 176.300 -0.840 0.000 0.966 86 D CA 0.290 53.997 54.000 -0.487 0.000 0.876 86 D CB -0.227 40.410 40.800 -0.272 0.000 0.927 86 D HN 0.504 nan 8.370 nan 0.000 0.519 87 D N 0.040 120.141 120.400 -0.499 0.000 2.453 87 D HA 0.025 4.669 4.640 0.006 0.000 0.223 87 D C 0.378 176.533 176.300 -0.242 0.000 1.183 87 D CA -0.597 53.174 54.000 -0.382 0.000 0.933 87 D CB -0.040 40.642 40.800 -0.195 0.000 1.038 87 D HN -0.121 nan 8.370 nan 0.000 0.513 88 F N 2.221 122.193 119.950 0.036 0.000 2.333 88 F HA -0.051 4.479 4.527 0.006 0.000 0.300 88 F C 2.219 178.064 175.800 0.076 0.000 1.083 88 F CA 0.591 58.663 58.000 0.119 0.000 1.395 88 F CB -0.329 38.776 39.000 0.176 0.000 1.056 88 F HN 0.288 nan 8.300 nan 0.000 0.529 89 K N 0.372 120.862 120.400 0.150 0.000 2.057 89 K HA -0.138 4.186 4.320 0.006 0.000 0.207 89 K C 2.079 178.722 176.600 0.072 0.000 1.049 89 K CA 1.293 57.617 56.287 0.061 0.000 0.931 89 K CB -0.483 32.029 32.500 0.020 0.000 0.714 89 K HN 0.295 nan 8.250 nan 0.000 0.440 90 L N 0.348 121.603 121.223 0.055 0.000 2.093 90 L HA -0.157 4.187 4.340 0.006 0.000 0.208 90 L C 2.615 179.622 176.870 0.228 0.000 1.085 90 L CA 1.044 55.938 54.840 0.090 0.000 0.755 90 L CB -0.654 41.423 42.059 0.031 0.000 0.904 90 L HN 0.211 nan 8.230 nan 0.000 0.435 91 A N -0.483 122.463 122.820 0.209 0.000 1.902 91 A HA -0.282 4.041 4.320 0.006 0.000 0.217 91 A C 2.202 179.931 177.584 0.241 0.000 1.181 91 A CA 1.458 53.724 52.037 0.383 0.000 0.623 91 A CB -0.882 18.384 19.000 0.444 0.000 0.818 91 A HN 0.469 nan 8.150 nan 0.000 0.443 92 Y N 0.676 120.854 120.300 -0.203 0.000 2.097 92 Y HA -0.225 4.328 4.550 0.006 0.000 0.282 92 Y C 1.971 177.758 175.900 -0.190 0.000 1.152 92 Y CA 2.126 59.877 58.100 -0.581 0.000 1.136 92 Y CB -0.304 37.679 38.460 -0.795 0.000 0.975 92 Y HN 0.217 nan 8.280 nan 0.000 0.498 93 L N -0.910 120.293 121.223 -0.033 0.000 2.083 93 L HA -0.221 4.122 4.340 0.006 0.000 0.209 93 L C 2.794 179.683 176.870 0.032 0.000 1.083 93 L CA 1.484 56.326 54.840 0.003 0.000 0.752 93 L CB -0.823 41.190 42.059 -0.078 0.000 0.899 93 L HN 0.233 nan 8.230 nan 0.000 0.433 94 S N -0.402 115.338 115.700 0.065 0.000 2.368 94 S HA -0.192 4.282 4.470 0.006 0.000 0.225 94 S C 1.631 176.224 174.600 -0.011 0.000 1.030 94 S CA 1.517 59.746 58.200 0.050 0.000 0.999 94 S CB -0.120 63.166 63.200 0.144 0.000 0.844 94 S HN 0.407 nan 8.310 nan 0.000 0.459 95 D N 0.273 120.653 120.400 -0.034 0.000 2.137 95 D HA 0.007 4.650 4.640 0.006 0.000 0.202 95 D C 1.965 178.143 176.300 -0.204 0.000 0.970 95 D CA 1.327 55.290 54.000 -0.061 0.000 0.837 95 D CB -0.607 40.207 40.800 0.024 0.000 0.981 95 D HN 0.401 nan 8.370 nan 0.000 0.475 96 T N -0.740 113.551 114.554 -0.437 0.000 2.985 96 T HA -0.076 4.278 4.350 0.006 0.000 0.266 96 T C 0.479 174.705 174.700 -0.789 0.000 1.076 96 T CA 0.667 62.350 62.100 -0.695 0.000 1.135 96 T CB -0.020 68.177 68.868 -1.118 0.000 0.890 96 T HN 0.182 nan 8.240 nan 0.000 0.480 97 Y N 1.084 121.276 120.300 -0.180 0.000 2.480 97 Y HA 0.379 4.933 4.550 0.006 0.000 0.356 97 Y C 0.578 176.227 175.900 -0.418 0.000 0.922 97 Y CA -1.002 56.891 58.100 -0.345 0.000 1.146 97 Y CB -0.386 37.902 38.460 -0.286 0.000 1.185 97 Y HN 0.047 nan 8.280 nan 0.000 0.624 98 N N 2.011 120.687 118.700 -0.041 0.000 3.115 98 N HA 0.067 4.811 4.740 0.006 0.000 0.305 98 N C -1.335 174.297 175.510 0.202 0.000 1.305 98 N CA 0.025 53.107 53.050 0.053 0.000 1.154 98 N CB -0.096 38.437 38.487 0.077 0.000 1.454 98 N HN 0.462 nan 8.380 nan 0.000 0.551 99 Y N -2.797 117.555 120.300 0.086 0.000 2.713 99 Y HA 0.288 4.841 4.550 0.006 0.000 0.335 99 Y C -0.713 175.236 175.900 0.082 0.000 1.222 99 Y CA -1.568 56.576 58.100 0.073 0.000 1.061 99 Y CB 0.445 38.954 38.460 0.081 0.000 1.314 99 Y HN -0.128 nan 8.280 nan 0.000 0.453 100 E N 1.867 122.199 120.200 0.219 0.000 2.351 100 E HA 0.233 4.587 4.350 0.006 0.000 0.266 100 E C -0.864 175.867 176.600 0.218 0.000 1.031 100 E CA -0.136 56.348 56.400 0.139 0.000 0.911 100 E CB 0.362 30.143 29.700 0.135 0.000 0.986 100 E HN 0.591 nan 8.360 nan 0.000 0.446 101 I N 5.617 126.246 120.570 0.099 0.000 2.505 101 I HA 0.008 4.182 4.170 0.006 0.000 0.287 101 I C 0.665 176.828 176.117 0.077 0.000 1.104 101 I CA 0.257 61.615 61.300 0.097 0.000 1.387 101 I CB 0.439 38.436 38.000 -0.005 0.000 1.404 101 I HN 0.394 nan 8.210 nan 0.000 0.528 102 K N 8.775 129.223 120.400 0.079 0.000 2.264 102 K HA 0.231 4.554 4.320 0.006 0.000 0.277 102 K C -1.083 175.331 176.600 -0.310 0.000 1.067 102 K CA -0.502 55.738 56.287 -0.078 0.000 0.900 102 K CB 0.683 33.170 32.500 -0.022 0.000 1.124 102 K HN 0.505 nan 8.250 nan 0.000 0.469 103 Y N 0.778 120.672 120.300 -0.676 0.000 2.496 103 Y HA 0.496 5.050 4.550 0.006 0.000 0.331 103 Y C -0.717 174.671 175.900 -0.854 0.000 1.140 103 Y CA -1.298 55.953 58.100 -1.414 0.000 1.166 103 Y CB 1.251 38.663 38.460 -1.745 0.000 1.249 103 Y HN 0.386 nan 8.280 nan 0.000 0.479 104 D N 1.134 121.034 120.400 -0.833 0.000 2.453 104 D HA 0.115 4.759 4.640 0.006 0.000 0.238 104 D C 0.434 176.756 176.300 0.035 0.000 1.088 104 D CA -0.523 53.334 54.000 -0.239 0.000 0.854 104 D CB 0.317 41.118 40.800 0.001 0.000 1.076 104 D HN 0.900 nan 8.370 nan 0.000 0.533 105 H N 0.905 120.007 119.070 0.053 0.000 2.457 105 H HA -0.105 4.454 4.556 0.006 0.000 0.294 105 H C 1.516 176.945 175.328 0.168 0.000 1.064 105 H CA 1.867 58.045 56.048 0.216 0.000 1.330 105 H CB -0.225 29.672 29.762 0.225 0.000 1.395 105 H HN 0.305 nan 8.280 nan 0.000 0.541 106 T N -1.797 112.461 114.554 -0.494 0.000 2.977 106 T HA -0.059 4.294 4.350 0.006 0.000 0.271 106 T C 1.434 176.112 174.700 -0.038 0.000 1.105 106 T CA 0.777 62.706 62.100 -0.285 0.000 1.116 106 T CB -0.082 68.609 68.868 -0.295 0.000 0.878 106 T HN 0.319 nan 8.240 nan 0.000 0.509 107 K N 0.453 120.895 120.400 0.070 0.000 2.358 107 K HA 0.370 4.694 4.320 0.006 0.000 0.197 107 K C 0.394 177.079 176.600 0.141 0.000 1.025 107 K CA -0.046 56.309 56.287 0.114 0.000 1.104 107 K CB 0.447 33.052 32.500 0.175 0.000 0.855 107 K HN 0.490 nan 8.250 nan 0.000 0.531 108 I N 1.912 122.601 120.570 0.198 0.000 2.342 108 I HA 0.187 4.360 4.170 0.006 0.000 0.291 108 I C 0.491 176.678 176.117 0.117 0.000 1.010 108 I CA -0.622 60.795 61.300 0.194 0.000 1.308 108 I CB 0.981 39.148 38.000 0.278 0.000 1.400 108 I HN -0.187 nan 8.210 nan 0.000 0.488 109 R N 5.982 126.516 120.500 0.057 0.000 2.248 109 R HA 0.376 4.719 4.340 0.006 0.000 0.337 109 R C -1.219 175.098 176.300 0.030 0.000 1.085 109 R CA -0.314 55.791 56.100 0.008 0.000 0.934 109 R CB 0.471 30.728 30.300 -0.071 0.000 1.034 109 R HN 0.464 nan 8.270 nan 0.000 0.465 110 V N 4.244 124.200 119.914 0.071 0.000 2.350 110 V HA 0.427 4.551 4.120 0.006 0.000 0.276 110 V C 0.127 176.276 176.094 0.091 0.000 1.028 110 V CA -0.731 61.636 62.300 0.111 0.000 0.860 110 V CB 1.258 33.191 31.823 0.182 0.000 0.990 110 V HN 0.832 nan 8.190 nan 0.000 0.453 111 A N 4.580 127.431 122.820 0.052 0.000 2.288 111 A HA 0.624 4.947 4.320 0.006 0.000 0.320 111 A C -0.084 177.564 177.584 0.106 0.000 1.217 111 A CA -0.574 51.449 52.037 -0.023 0.000 0.840 111 A CB 0.532 19.420 19.000 -0.186 0.000 1.179 111 A HN 0.701 nan 8.150 nan 0.000 0.504 112 N N 2.437 121.233 118.700 0.161 0.000 2.479 112 N HA 0.570 5.313 4.740 0.006 0.000 0.261 112 N C -1.575 174.136 175.510 0.336 0.000 0.979 112 N CA -0.093 53.127 53.050 0.284 0.000 0.930 112 N CB 1.063 39.714 38.487 0.273 0.000 1.172 112 N HN 0.557 nan 8.380 nan 0.000 0.499 113 F N 1.219 121.260 119.950 0.151 0.000 2.603 113 F HA 0.715 5.246 4.527 0.006 0.000 0.317 113 F C -1.233 174.721 175.800 0.256 0.000 1.066 113 F CA -1.320 56.816 58.000 0.226 0.000 0.941 113 F CB 1.484 40.677 39.000 0.322 0.000 1.291 113 F HN 0.135 nan 8.300 nan 0.000 0.472 114 D N 2.288 122.691 120.400 0.004 0.000 2.879 114 D HA 0.559 5.203 4.640 0.006 0.000 0.236 114 D C -1.164 175.121 176.300 -0.025 0.000 1.171 114 D CA -0.375 53.552 54.000 -0.121 0.000 0.868 114 D CB 2.155 42.970 40.800 0.025 0.000 1.598 114 D HN 0.845 nan 8.370 nan 0.000 0.497 115 I N -0.625 119.914 120.570 -0.051 0.000 2.648 115 I HA 0.710 4.884 4.170 0.006 0.000 0.304 115 I C -0.722 175.418 176.117 0.039 0.000 1.009 115 I CA -0.629 60.692 61.300 0.035 0.000 1.114 115 I CB 2.010 40.040 38.000 0.050 0.000 1.293 115 I HN 0.050 nan 8.210 nan 0.000 0.449 116 E N 4.382 124.595 120.200 0.022 0.000 2.212 116 E HA 0.632 4.985 4.350 0.006 0.000 0.268 116 E C -1.250 175.401 176.600 0.084 0.000 0.902 116 E CA -0.767 55.636 56.400 0.005 0.000 0.779 116 E CB 2.791 32.401 29.700 -0.151 0.000 1.172 116 E HN 0.539 nan 8.360 nan 0.000 0.409 117 V N 1.987 121.938 119.914 0.061 0.000 2.532 117 V HA 0.199 4.323 4.120 0.006 0.000 0.294 117 V C -0.213 175.884 176.094 0.006 0.000 1.036 117 V CA -0.834 61.475 62.300 0.015 0.000 0.876 117 V CB 1.944 33.633 31.823 -0.222 0.000 1.012 117 V HN 0.587 nan 8.190 nan 0.000 0.432 118 T N 3.340 117.914 114.554 0.033 0.000 2.779 118 T HA 0.300 4.653 4.350 0.006 0.000 0.296 118 T C 0.244 174.697 174.700 -0.412 0.000 0.938 118 T CA 0.352 62.370 62.100 -0.137 0.000 1.119 118 T CB 0.857 69.643 68.868 -0.137 0.000 0.891 118 T HN 0.654 nan 8.240 nan 0.000 0.526 119 S N 4.244 119.653 115.700 -0.486 0.000 2.774 119 S HA 0.426 4.899 4.470 0.006 0.000 0.297 119 S C -1.778 172.517 174.600 -0.508 0.000 1.143 119 S CA -1.554 56.206 58.200 -0.735 0.000 1.090 119 S CB 1.172 64.046 63.200 -0.544 0.000 1.019 119 S HN 0.445 nan 8.310 nan 0.000 0.482 120 P HA 0.127 nan 4.420 nan 0.000 0.236 120 P C -0.304 176.927 177.300 -0.114 0.000 1.177 120 P CA 0.504 63.438 63.100 -0.276 0.000 0.773 120 P CB -0.192 31.357 31.700 -0.251 0.000 0.878 121 D N -0.857 119.492 120.400 -0.084 0.000 2.943 121 D HA 0.457 5.100 4.640 0.006 0.000 0.347 121 D C 0.747 177.086 176.300 0.065 0.000 1.305 121 D CA -0.724 53.296 54.000 0.033 0.000 0.870 121 D CB 0.016 40.882 40.800 0.110 0.000 1.081 121 D HN 0.172 nan 8.370 nan 0.000 0.492 122 G N 0.270 109.095 108.800 0.041 0.000 2.698 122 G HA2 -0.160 3.804 3.960 0.006 0.000 0.225 122 G HA3 -0.160 3.804 3.960 0.006 0.000 0.225 122 G C -0.559 174.416 174.900 0.126 0.000 1.345 122 G CA -0.809 44.354 45.100 0.105 0.000 0.871 122 G HN 0.422 nan 8.290 nan 0.000 0.540 123 F N 2.859 122.844 119.950 0.059 0.000 2.607 123 F HA 0.481 5.011 4.527 0.006 0.000 0.374 123 F C -1.145 174.752 175.800 0.161 0.000 1.104 123 F CA -0.736 57.306 58.000 0.071 0.000 1.296 123 F CB 0.787 39.827 39.000 0.067 0.000 1.085 123 F HN 0.329 nan 8.300 nan 0.000 0.584 124 P HA 0.090 nan 4.420 nan 0.000 0.280 124 P C -1.137 176.237 177.300 0.123 0.000 1.386 124 P CA -0.212 62.882 63.100 -0.010 0.000 0.899 124 P CB 0.656 32.355 31.700 -0.002 0.000 1.098 125 E N 5.197 125.619 120.200 0.370 0.000 2.351 125 E HA 0.023 4.376 4.350 0.006 0.000 0.266 125 E C -1.485 175.340 176.600 0.375 0.000 1.031 125 E CA -1.654 55.019 56.400 0.454 0.000 0.911 125 E CB 0.278 30.174 29.700 0.326 0.000 0.986 125 E HN 0.328 nan 8.360 nan 0.000 0.446 126 P HA -0.167 nan 4.420 nan 0.000 0.218 126 P C 1.159 178.454 177.300 -0.008 0.000 1.146 126 P CA 1.324 64.546 63.100 0.203 0.000 0.813 126 P CB 0.282 32.111 31.700 0.215 0.000 0.778 127 S N -2.472 113.266 115.700 0.063 0.000 2.528 127 S HA 0.034 4.507 4.470 0.006 0.000 0.219 127 S C 1.888 176.478 174.600 -0.017 0.000 0.985 127 S CA 0.182 58.392 58.200 0.017 0.000 0.914 127 S CB -0.559 62.670 63.200 0.048 0.000 0.776 127 S HN 0.156 nan 8.310 nan 0.000 0.526 128 Q N 1.037 120.829 119.800 -0.012 0.000 2.107 128 Q HA 0.405 4.749 4.340 0.006 0.000 0.195 128 Q C 1.000 176.902 176.000 -0.162 0.000 0.964 128 Q CA 0.511 56.286 55.803 -0.047 0.000 0.833 128 Q CB -0.265 28.481 28.738 0.013 0.000 0.910 128 Q HN 0.688 nan 8.270 nan 0.000 0.465 129 A N 1.727 124.375 122.820 -0.287 0.000 2.560 129 A HA -0.273 4.051 4.320 0.006 0.000 0.299 129 A C 0.958 178.379 177.584 -0.271 0.000 1.484 129 A CA 1.379 53.028 52.037 -0.646 0.000 0.749 129 A CB -1.760 16.726 19.000 -0.858 0.000 1.072 129 A HN 0.552 nan 8.150 nan 0.000 0.426 130 K N -0.859 119.449 120.400 -0.153 0.000 2.379 130 K HA 0.147 4.471 4.320 0.006 0.000 0.194 130 K C 0.351 176.800 176.600 -0.253 0.000 1.031 130 K CA 0.815 56.960 56.287 -0.236 0.000 1.037 130 K CB 0.110 32.428 32.500 -0.303 0.000 0.824 130 K HN 0.786 nan 8.250 nan 0.000 0.516 131 H N 1.403 120.617 119.070 0.240 0.000 2.499 131 H HA 0.338 4.898 4.556 0.006 0.000 0.340 131 H C -2.586 172.918 175.328 0.294 0.000 1.148 131 H CA -2.351 53.876 56.048 0.299 0.000 1.215 131 H CB 1.210 31.152 29.762 0.300 0.000 1.529 131 H HN -0.042 nan 8.280 nan 0.000 0.510 132 P HA 0.008 nan 4.420 nan 0.000 0.269 132 P C -0.268 177.186 177.300 0.258 0.000 1.209 132 P CA 0.133 63.379 63.100 0.242 0.000 0.776 132 P CB 0.625 32.429 31.700 0.174 0.000 0.876 133 I N 3.001 123.697 120.570 0.211 0.000 2.396 133 I HA 0.075 4.248 4.170 0.006 0.000 0.289 133 I C 0.770 176.976 176.117 0.148 0.000 1.056 133 I CA 0.251 61.646 61.300 0.159 0.000 1.365 133 I CB 0.681 38.757 38.000 0.127 0.000 1.407 133 I HN 0.427 nan 8.210 nan 0.000 0.509 134 D N 4.087 124.599 120.400 0.187 0.000 2.433 134 D HA 0.349 4.993 4.640 0.006 0.000 0.211 134 D C 0.049 176.523 176.300 0.290 0.000 1.114 134 D CA -0.136 54.006 54.000 0.236 0.000 0.837 134 D CB 0.777 41.728 40.800 0.253 0.000 0.984 134 D HN 0.427 nan 8.370 nan 0.000 0.505 135 A N 0.319 123.276 122.820 0.227 0.000 2.540 135 A HA 0.666 4.989 4.320 0.006 0.000 0.297 135 A C -1.611 176.049 177.584 0.127 0.000 1.056 135 A CA -0.782 51.374 52.037 0.198 0.000 0.700 135 A CB 1.103 20.195 19.000 0.152 0.000 1.280 135 A HN 0.146 nan 8.150 nan 0.000 0.398 136 I N 1.683 122.356 120.570 0.171 0.000 2.512 136 I HA 0.389 4.562 4.170 0.006 0.000 0.287 136 I C -0.484 175.844 176.117 0.353 0.000 1.069 136 I CA -0.358 61.042 61.300 0.166 0.000 1.056 136 I CB 2.588 40.494 38.000 -0.156 0.000 1.229 136 I HN 0.549 nan 8.210 nan 0.000 0.429 137 T N 3.735 118.494 114.554 0.342 0.000 2.758 137 T HA 0.315 4.668 4.350 0.006 0.000 0.285 137 T C -0.847 174.213 174.700 0.600 0.000 0.981 137 T CA -0.328 62.031 62.100 0.432 0.000 0.965 137 T CB 0.474 69.522 68.868 0.299 0.000 0.927 137 T HN 0.486 nan 8.240 nan 0.000 0.448 138 H N 2.587 122.022 119.070 0.608 0.000 2.860 138 H HA 0.420 4.980 4.556 0.006 0.000 0.312 138 H C -1.315 174.381 175.328 0.613 0.000 0.995 138 H CA -0.790 55.662 56.048 0.673 0.000 1.311 138 H CB 0.406 30.624 29.762 0.761 0.000 1.478 138 H HN 0.674 nan 8.280 nan 0.000 0.508 139 Y N 4.423 124.862 120.300 0.233 0.000 2.304 139 Y HA 0.213 4.767 4.550 0.006 0.000 0.328 139 Y C -0.494 175.452 175.900 0.078 0.000 1.123 139 Y CA -0.256 57.838 58.100 -0.011 0.000 1.218 139 Y CB 0.812 39.011 38.460 -0.435 0.000 1.207 139 Y HN 0.632 nan 8.280 nan 0.000 0.495 140 D N 3.579 123.633 120.400 -0.577 0.000 2.308 140 D HA 0.092 4.735 4.640 0.006 0.000 0.242 140 D C 0.544 176.358 176.300 -0.811 0.000 1.059 140 D CA 0.087 53.850 54.000 -0.394 0.000 0.830 140 D CB 1.925 42.747 40.800 0.036 0.000 1.161 140 D HN 0.798 nan 8.370 nan 0.000 0.494 141 S N 3.662 119.161 115.700 -0.336 0.000 2.402 141 S HA -0.118 4.355 4.470 0.006 0.000 0.229 141 S C 2.021 176.595 174.600 -0.043 0.000 1.021 141 S CA 0.480 58.641 58.200 -0.065 0.000 0.974 141 S CB -0.148 63.146 63.200 0.156 0.000 0.800 141 S HN 0.629 nan 8.310 nan 0.000 0.484 142 I N 1.975 122.510 120.570 -0.059 0.000 2.233 142 I HA -0.102 4.071 4.170 0.006 0.000 0.243 142 I C 1.924 178.026 176.117 -0.025 0.000 1.093 142 I CA 1.468 62.753 61.300 -0.026 0.000 1.380 142 I CB -0.458 37.524 38.000 -0.030 0.000 1.067 142 I HN 0.239 nan 8.210 nan 0.000 0.413 143 D N 0.180 120.558 120.400 -0.037 0.000 2.224 143 D HA -0.151 4.492 4.640 0.006 0.000 0.205 143 D C 0.644 176.922 176.300 -0.036 0.000 0.965 143 D CA 0.982 54.986 54.000 0.008 0.000 0.852 143 D CB -0.372 40.504 40.800 0.127 0.000 0.947 143 D HN 0.222 nan 8.370 nan 0.000 0.494 144 D N -0.017 120.291 120.400 -0.153 0.000 2.746 144 D HA -0.170 4.474 4.640 0.006 0.000 0.236 144 D C -0.899 175.363 176.300 -0.065 0.000 1.129 144 D CA 0.511 54.453 54.000 -0.095 0.000 0.691 144 D CB -0.394 40.465 40.800 0.099 0.000 1.077 144 D HN 0.041 nan 8.370 nan 0.000 0.432 145 R N 0.056 120.379 120.500 -0.296 0.000 2.744 145 R HA 0.502 4.846 4.340 0.006 0.000 0.279 145 R C -0.456 175.694 176.300 -0.249 0.000 0.977 145 R CA -0.675 55.303 56.100 -0.204 0.000 0.906 145 R CB 0.669 30.741 30.300 -0.380 0.000 1.197 145 R HN -0.003 nan 8.270 nan 0.000 0.463 146 F N 2.132 122.089 119.950 0.012 0.000 2.391 146 F HA 0.338 4.868 4.527 0.006 0.000 0.359 146 F C 0.123 175.878 175.800 -0.075 0.000 1.122 146 F CA -0.414 57.666 58.000 0.134 0.000 1.120 146 F CB 0.624 39.710 39.000 0.144 0.000 1.142 146 F HN 0.289 nan 8.300 nan 0.000 0.483 147 Y N 2.760 123.263 120.300 0.339 0.000 2.404 147 Y HA 0.483 5.036 4.550 0.006 0.000 0.344 147 Y C -0.215 175.766 175.900 0.135 0.000 0.970 147 Y CA -0.902 57.271 58.100 0.122 0.000 1.180 147 Y CB 1.011 39.466 38.460 -0.008 0.000 1.138 147 Y HN 0.201 nan 8.280 nan 0.000 0.510 148 V N 5.265 125.220 119.914 0.068 0.000 2.370 148 V HA 0.296 4.419 4.120 0.006 0.000 0.279 148 V C -0.655 175.386 176.094 -0.088 0.000 1.029 148 V CA -0.936 61.418 62.300 0.090 0.000 0.870 148 V CB 0.353 32.205 31.823 0.047 0.000 0.984 148 V HN 0.446 nan 8.190 nan 0.000 0.451 149 F N 2.974 123.010 119.950 0.143 0.000 2.347 149 F HA 0.496 5.027 4.527 0.006 0.000 0.366 149 F C 0.122 176.056 175.800 0.222 0.000 1.107 149 F CA -0.728 57.414 58.000 0.238 0.000 1.058 149 F CB 1.272 40.361 39.000 0.148 0.000 1.236 149 F HN 0.442 nan 8.300 nan 0.000 0.456 150 D N 3.923 124.548 120.400 0.374 0.000 2.425 150 D HA 0.252 4.895 4.640 0.006 0.000 0.240 150 D C -1.206 175.327 176.300 0.389 0.000 1.080 150 D CA -0.568 53.651 54.000 0.366 0.000 0.836 150 D CB 1.395 42.437 40.800 0.404 0.000 1.125 150 D HN 0.311 nan 8.370 nan 0.000 0.525 151 L N 5.205 126.636 121.223 0.347 0.000 2.369 151 L HA 0.238 4.581 4.340 0.006 0.000 0.279 151 L C 0.528 177.506 176.870 0.180 0.000 1.108 151 L CA 0.209 55.207 54.840 0.263 0.000 0.852 151 L CB 0.496 42.677 42.059 0.203 0.000 1.169 151 L HN 0.609 nan 8.230 nan 0.000 0.452 152 L N 3.705 125.008 121.223 0.132 0.000 2.307 152 L HA 0.168 4.511 4.340 0.006 0.000 0.211 152 L C 0.093 176.963 176.870 -0.000 0.000 1.099 152 L CA 0.250 55.103 54.840 0.021 0.000 0.816 152 L CB -0.199 41.883 42.059 0.039 0.000 0.952 152 L HN 0.625 nan 8.230 nan 0.000 0.455 153 N N 0.192 118.918 118.700 0.042 0.000 2.399 153 N HA 0.311 5.054 4.740 0.006 0.000 0.284 153 N C -0.987 174.539 175.510 0.027 0.000 1.025 153 N CA 0.056 53.120 53.050 0.023 0.000 0.885 153 N CB 2.261 40.763 38.487 0.025 0.000 1.339 153 N HN -0.112 nan 8.380 nan 0.000 0.487 154 S N 1.449 117.153 115.700 0.006 0.000 2.588 154 S HA 0.575 5.048 4.470 0.006 0.000 0.275 154 S C -2.078 172.468 174.600 -0.089 0.000 1.130 154 S CA -1.357 56.835 58.200 -0.013 0.000 0.855 154 S CB 1.631 64.865 63.200 0.056 0.000 1.116 154 S HN 0.197 nan 8.310 nan 0.000 0.472 155 P HA -0.040 nan 4.420 nan 0.000 0.226 155 P C 0.121 177.198 177.300 -0.372 0.000 1.146 155 P CA 1.155 64.050 63.100 -0.341 0.000 0.773 155 P CB -0.226 31.166 31.700 -0.514 0.000 0.772 156 Y N -0.420 119.886 120.300 0.009 0.000 2.458 156 Y HA 0.520 5.073 4.550 0.006 0.000 0.256 156 Y C 1.430 177.312 175.900 -0.030 0.000 1.159 156 Y CA -0.036 58.059 58.100 -0.009 0.000 1.261 156 Y CB 0.310 38.761 38.460 -0.015 0.000 1.119 156 Y HN -0.060 nan 8.280 nan 0.000 0.524 157 G N 0.292 109.133 108.800 0.068 0.000 2.282 157 G HA2 -0.002 3.962 3.960 0.006 0.000 0.274 157 G HA3 -0.002 3.962 3.960 0.006 0.000 0.274 157 G C -1.660 173.234 174.900 -0.010 0.000 1.718 157 G CA -1.246 43.867 45.100 0.022 0.000 0.927 157 G HN -0.065 nan 8.290 nan 0.000 0.733 158 N N 0.406 119.094 118.700 -0.020 0.000 2.419 158 N HA 0.600 5.343 4.740 0.006 0.000 0.264 158 N C 0.474 175.949 175.510 -0.059 0.000 1.031 158 N CA -0.186 52.844 53.050 -0.032 0.000 0.951 158 N CB 2.199 40.675 38.487 -0.018 0.000 1.101 158 N HN 1.010 nan 8.380 nan 0.000 0.488 159 V N -0.891 118.956 119.914 -0.112 0.000 3.113 159 V HA 0.589 4.713 4.120 0.006 0.000 0.316 159 V C 0.232 176.245 176.094 -0.136 0.000 1.125 159 V CA -0.954 61.239 62.300 -0.179 0.000 1.026 159 V CB 2.183 33.746 31.823 -0.433 0.000 1.080 159 V HN 0.325 nan 8.190 nan 0.000 0.444 160 E N 0.525 120.679 120.200 -0.077 0.000 2.312 160 E HA 0.388 4.741 4.350 0.006 0.000 0.259 160 E C -0.295 176.368 176.600 0.105 0.000 1.122 160 E CA -0.424 55.988 56.400 0.020 0.000 0.922 160 E CB 0.925 30.653 29.700 0.048 0.000 1.109 160 E HN 0.811 nan 8.360 nan 0.000 0.442 161 E N 0.379 120.685 120.200 0.178 0.000 2.390 161 E HA 0.004 4.358 4.350 0.006 0.000 0.261 161 E C -0.505 176.303 176.600 0.345 0.000 1.076 161 E CA -0.252 56.354 56.400 0.343 0.000 0.905 161 E CB 0.586 30.474 29.700 0.313 0.000 0.984 161 E HN 0.323 nan 8.360 nan 0.000 0.427 162 W N 2.613 124.010 121.300 0.162 0.000 2.210 162 W HA 0.031 4.694 4.660 0.005 0.000 0.330 162 W C -0.029 176.303 176.519 -0.311 0.000 1.334 162 W CA -0.074 57.175 57.345 -0.159 0.000 1.227 162 W CB 0.767 30.006 29.460 -0.369 0.000 1.178 162 W HN 0.197 nan 8.180 nan 0.000 0.560 163 S N 7.067 122.271 115.700 -0.827 0.000 2.422 163 S HA 0.151 4.624 4.470 0.006 0.000 0.298 163 S C 0.859 174.582 174.600 -1.463 0.000 1.118 163 S CA -0.697 56.987 58.200 -0.861 0.000 1.083 163 S CB 0.494 63.409 63.200 -0.474 0.000 0.971 163 S HN 0.691 nan 8.310 nan 0.000 0.478 164 I N 4.618 124.387 120.570 -1.335 0.000 2.394 164 I HA -0.114 4.059 4.170 0.006 0.000 0.251 164 I C 2.277 178.047 176.117 -0.580 0.000 1.136 164 I CA 1.436 62.040 61.300 -1.159 0.000 1.425 164 I CB -0.075 37.604 38.000 -0.535 0.000 1.079 164 I HN 0.796 nan 8.210 nan 0.000 0.425 165 E N 0.937 120.880 120.200 -0.427 0.000 2.152 165 E HA -0.210 4.143 4.350 0.006 0.000 0.192 165 E C 2.164 178.619 176.600 -0.241 0.000 0.983 165 E CA 1.407 57.651 56.400 -0.260 0.000 0.818 165 E CB -0.647 28.939 29.700 -0.189 0.000 0.758 165 E HN 0.569 nan 8.360 nan 0.000 0.467 166 I N 1.689 122.075 120.570 -0.307 0.000 2.353 166 I HA -0.144 4.030 4.170 0.006 0.000 0.248 166 I C 2.650 178.643 176.117 -0.207 0.000 1.119 166 I CA 0.906 62.066 61.300 -0.234 0.000 1.417 166 I CB -0.354 37.506 38.000 -0.234 0.000 1.078 166 I HN 0.064 nan 8.210 nan 0.000 0.421 167 A N 0.890 123.534 122.820 -0.295 0.000 1.978 167 A HA -0.175 4.149 4.320 0.006 0.000 0.220 167 A C 2.508 180.061 177.584 -0.052 0.000 1.170 167 A CA 1.924 53.892 52.037 -0.116 0.000 0.636 167 A CB -0.665 18.325 19.000 -0.016 0.000 0.810 167 A HN 0.438 nan 8.150 nan 0.000 0.448 168 A N 0.409 123.169 122.820 -0.099 0.000 1.929 168 A HA 0.021 4.345 4.320 0.006 0.000 0.216 168 A C 1.419 178.975 177.584 -0.046 0.000 1.176 168 A CA 1.099 53.099 52.037 -0.061 0.000 0.628 168 A CB -0.372 18.582 19.000 -0.077 0.000 0.816 168 A HN 0.687 nan 8.150 nan 0.000 0.444 169 K N -0.015 120.349 120.400 -0.060 0.000 2.149 169 K HA 0.367 4.691 4.320 0.006 0.000 0.245 169 K C -0.537 176.049 176.600 -0.023 0.000 1.024 169 K CA -0.848 55.413 56.287 -0.043 0.000 0.899 169 K CB 0.343 32.812 32.500 -0.052 0.000 1.038 169 K HN 0.028 nan 8.250 nan 0.000 0.496 170 L N 2.324 123.538 121.223 -0.016 0.000 2.473 170 L HA -0.057 4.286 4.340 0.006 0.000 0.268 170 L C 1.944 178.817 176.870 0.004 0.000 1.215 170 L CA 0.456 55.294 54.840 -0.003 0.000 0.823 170 L CB -0.087 41.970 42.059 -0.005 0.000 1.099 170 L HN 0.718 nan 8.230 nan 0.000 0.483 171 Q N 1.340 121.152 119.800 0.020 0.000 2.197 171 Q HA -0.217 4.126 4.340 0.006 0.000 0.207 171 Q C 1.315 177.325 176.000 0.016 0.000 0.984 171 Q CA 1.595 57.416 55.803 0.030 0.000 0.869 171 Q CB 0.016 28.782 28.738 0.048 0.000 0.906 171 Q HN 0.600 nan 8.270 nan 0.000 0.426 172 E N 0.372 120.577 120.200 0.008 0.000 2.511 172 E HA -0.072 4.281 4.350 0.006 0.000 0.196 172 E C 1.204 177.802 176.600 -0.004 0.000 1.066 172 E CA 0.414 56.815 56.400 0.002 0.000 0.871 172 E CB 0.145 29.846 29.700 0.000 0.000 0.863 172 E HN 0.366 nan 8.360 nan 0.000 0.520 173 Q N -1.343 118.452 119.800 -0.009 0.000 2.217 173 Q HA 0.218 4.561 4.340 0.006 0.000 0.217 173 Q C 0.704 176.691 176.000 -0.022 0.000 0.844 173 Q CA 0.363 56.156 55.803 -0.017 0.000 0.957 173 Q CB 1.257 29.980 28.738 -0.024 0.000 1.127 173 Q HN 0.334 nan 8.270 nan 0.000 0.503 174 G N 0.200 108.990 108.800 -0.016 0.000 2.179 174 G HA2 -0.200 3.763 3.960 0.006 0.000 0.220 174 G HA3 -0.200 3.763 3.960 0.006 0.000 0.220 174 G C 0.387 175.268 174.900 -0.032 0.000 0.990 174 G CA -0.351 44.736 45.100 -0.021 0.000 0.646 174 G HN 0.485 nan 8.290 nan 0.000 0.517 175 G N -0.735 108.047 108.800 -0.030 0.000 2.535 175 G HA2 0.494 4.458 3.960 0.006 0.000 0.282 175 G HA3 0.494 4.458 3.960 0.006 0.000 0.282 175 G C 0.250 175.140 174.900 -0.015 0.000 1.350 175 G CA 0.506 45.583 45.100 -0.040 0.000 1.039 175 G HN 0.070 nan 8.290 nan 0.000 0.509 176 D N -0.987 119.410 120.400 -0.005 0.000 2.469 176 D HA 0.078 4.722 4.640 0.006 0.000 0.213 176 D C 0.335 176.699 176.300 0.106 0.000 1.135 176 D CA 0.011 54.036 54.000 0.043 0.000 0.834 176 D CB 0.581 41.390 40.800 0.015 0.000 1.009 176 D HN 0.629 nan 8.370 nan 0.000 0.507 177 E N 0.645 120.879 120.200 0.056 0.000 2.269 177 E HA -0.163 4.190 4.350 0.006 0.000 0.223 177 E C -0.502 176.135 176.600 0.061 0.000 1.244 177 E CA -0.139 56.291 56.400 0.050 0.000 0.713 177 E CB -0.900 28.833 29.700 0.054 0.000 1.178 177 E HN 0.044 nan 8.360 nan 0.000 0.370 178 V N 1.286 121.234 119.914 0.057 0.000 2.485 178 V HA 0.038 4.162 4.120 0.006 0.000 0.287 178 V C -1.616 174.470 176.094 -0.013 0.000 1.022 178 V CA -0.747 61.574 62.300 0.034 0.000 1.067 178 V CB 0.353 32.207 31.823 0.052 0.000 0.967 178 V HN 0.168 nan 8.190 nan 0.000 0.479 179 P HA -0.007 nan 4.420 nan 0.000 0.263 179 P C 0.902 178.158 177.300 -0.074 0.000 1.168 179 P CA 0.478 63.560 63.100 -0.030 0.000 0.759 179 P CB 0.434 32.130 31.700 -0.008 0.000 0.782 180 S N 3.050 118.728 115.700 -0.037 0.000 2.365 180 S HA -0.222 4.252 4.470 0.006 0.000 0.225 180 S C 1.490 176.062 174.600 -0.047 0.000 1.039 180 S CA 1.508 59.687 58.200 -0.036 0.000 1.033 180 S CB -0.693 62.496 63.200 -0.018 0.000 0.887 180 S HN 0.703 nan 8.310 nan 0.000 0.447 181 E N 2.214 122.388 120.200 -0.043 0.000 2.510 181 E HA -0.135 4.219 4.350 0.006 0.000 0.202 181 E C 1.500 178.056 176.600 -0.073 0.000 1.072 181 E CA 0.875 57.258 56.400 -0.028 0.000 0.883 181 E CB -0.540 29.173 29.700 0.022 0.000 0.818 181 E HN 0.848 nan 8.360 nan 0.000 0.548 182 I N -3.912 116.556 120.570 -0.170 0.000 4.439 182 I HA 0.135 4.308 4.170 0.006 0.000 0.331 182 I C 1.605 177.650 176.117 -0.120 0.000 1.345 182 I CA -0.472 60.708 61.300 -0.200 0.000 1.193 182 I CB 0.116 37.751 38.000 -0.608 0.000 1.221 182 I HN -0.239 nan 8.210 nan 0.000 0.429 183 I N 2.687 123.206 120.570 -0.084 0.000 2.151 183 I HA -0.247 3.927 4.170 0.006 0.000 0.243 183 I C 1.672 177.802 176.117 0.022 0.000 1.080 183 I CA 1.760 63.047 61.300 -0.022 0.000 1.339 183 I CB -1.082 36.904 38.000 -0.022 0.000 1.039 183 I HN 0.346 nan 8.210 nan 0.000 0.409 184 D N 0.685 121.098 120.400 0.022 0.000 2.371 184 D HA -0.101 4.543 4.640 0.006 0.000 0.221 184 D C 1.684 178.022 176.300 0.064 0.000 0.986 184 D CA 0.716 54.739 54.000 0.040 0.000 0.899 184 D CB -0.037 40.783 40.800 0.033 0.000 0.902 184 D HN 0.427 nan 8.370 nan 0.000 0.530 185 K N -0.114 120.343 120.400 0.094 0.000 2.358 185 K HA 0.230 4.554 4.320 0.006 0.000 0.197 185 K C 0.372 177.084 176.600 0.186 0.000 1.025 185 K CA -0.100 56.282 56.287 0.158 0.000 1.104 185 K CB 1.194 33.861 32.500 0.279 0.000 0.855 185 K HN 0.073 nan 8.250 nan 0.000 0.531 186 I N 2.047 122.695 120.570 0.131 0.000 2.325 186 I HA 0.185 4.359 4.170 0.006 0.000 0.291 186 I C -0.146 176.019 176.117 0.081 0.000 1.019 186 I CA -0.450 60.924 61.300 0.123 0.000 1.302 186 I CB 0.932 39.005 38.000 0.122 0.000 1.401 186 I HN -0.082 nan 8.210 nan 0.000 0.485 187 I N 7.481 128.042 120.570 -0.014 0.000 2.359 187 I HA 0.190 4.363 4.170 0.006 0.000 0.284 187 I C -0.859 175.281 176.117 0.038 0.000 1.018 187 I CA -0.628 60.656 61.300 -0.027 0.000 1.173 187 I CB 0.712 38.591 38.000 -0.202 0.000 1.326 187 I HN 0.464 nan 8.210 nan 0.000 0.462 188 Y N 8.102 128.395 120.300 -0.011 0.000 2.330 188 Y HA 0.674 5.227 4.550 0.006 0.000 0.336 188 Y C -0.790 175.070 175.900 -0.067 0.000 1.036 188 Y CA -0.989 57.102 58.100 -0.015 0.000 1.125 188 Y CB 1.301 39.862 38.460 0.168 0.000 1.194 188 Y HN 0.449 nan 8.280 nan 0.000 0.469 189 M N 9.941 129.034 119.600 -0.844 0.000 2.060 189 M HA 0.337 4.821 4.480 0.006 0.000 0.275 189 M C -2.762 172.949 176.300 -0.983 0.000 0.919 189 M CA -1.785 53.012 55.300 -0.838 0.000 0.970 189 M CB 1.953 34.162 32.600 -0.652 0.000 1.670 189 M HN 0.413 nan 8.290 nan 0.000 0.440 190 P HA 0.469 nan 4.420 nan 0.000 0.282 190 P C -1.307 175.643 177.300 -0.582 0.000 1.249 190 P CA -0.148 62.658 63.100 -0.490 0.000 0.806 190 P CB 0.812 32.397 31.700 -0.191 0.000 0.984 191 F N 0.146 120.101 119.950 0.008 0.000 2.563 191 F HA 0.271 4.802 4.527 0.006 0.000 0.316 191 F C 1.374 177.202 175.800 0.047 0.000 1.076 191 F CA -0.436 57.589 58.000 0.041 0.000 0.921 191 F CB 1.440 40.489 39.000 0.080 0.000 1.209 191 F HN 0.161 nan 8.300 nan 0.000 0.462 192 D N 0.671 121.205 120.400 0.223 0.000 2.224 192 D HA -0.035 4.608 4.640 0.006 0.000 0.205 192 D C -0.083 176.295 176.300 0.130 0.000 0.965 192 D CA 1.219 55.301 54.000 0.136 0.000 0.852 192 D CB -0.088 40.772 40.800 0.100 0.000 0.947 192 D HN 0.679 nan 8.370 nan 0.000 0.494 193 N N -1.568 117.230 118.700 0.164 0.000 2.610 193 N HA 0.106 4.849 4.740 0.006 0.000 0.264 193 N C 0.211 175.780 175.510 0.098 0.000 1.348 193 N CA -0.758 52.357 53.050 0.108 0.000 0.819 193 N CB 1.838 40.369 38.487 0.073 0.000 1.521 193 N HN -0.322 nan 8.380 nan 0.000 0.497 194 E N 0.311 120.545 120.200 0.058 0.000 2.110 194 E HA -0.173 4.181 4.350 0.006 0.000 0.193 194 E C 0.809 177.434 176.600 0.042 0.000 0.988 194 E CA 1.234 57.656 56.400 0.035 0.000 0.804 194 E CB 0.069 29.787 29.700 0.030 0.000 0.745 194 E HN 0.563 nan 8.360 nan 0.000 0.458 195 K N 0.321 120.766 120.400 0.076 0.000 2.063 195 K HA -0.162 4.162 4.320 0.006 0.000 0.208 195 K C 2.176 178.900 176.600 0.205 0.000 1.048 195 K CA 1.314 57.746 56.287 0.242 0.000 0.928 195 K CB 0.003 32.608 32.500 0.175 0.000 0.713 195 K HN 0.084 nan 8.250 nan 0.000 0.442 196 E N 0.900 121.158 120.200 0.096 0.000 2.031 196 E HA -0.196 4.158 4.350 0.006 0.000 0.193 196 E C 2.040 178.487 176.600 -0.256 0.000 0.994 196 E CA 0.896 57.330 56.400 0.056 0.000 0.800 196 E CB -0.404 29.425 29.700 0.215 0.000 0.752 196 E HN 0.154 nan 8.360 nan 0.000 0.447 197 L N 1.308 122.173 121.223 -0.596 0.000 1.990 197 L HA -0.192 4.151 4.340 0.006 0.000 0.213 197 L C 2.200 178.778 176.870 -0.485 0.000 1.072 197 L CA 1.741 55.888 54.840 -1.156 0.000 0.755 197 L CB -1.257 40.406 42.059 -0.660 0.000 0.889 197 L HN 0.102 nan 8.230 nan 0.000 0.432 198 L N -1.393 119.715 121.223 -0.192 0.000 2.093 198 L HA -0.197 4.146 4.340 0.006 0.000 0.208 198 L C 2.686 179.483 176.870 -0.121 0.000 1.085 198 L CA 1.565 56.367 54.840 -0.065 0.000 0.755 198 L CB -0.387 41.754 42.059 0.137 0.000 0.904 198 L HN 0.347 nan 8.230 nan 0.000 0.435 199 M N -0.735 118.765 119.600 -0.167 0.000 2.132 199 M HA -0.204 4.280 4.480 0.006 0.000 0.263 199 M C 2.243 178.491 176.300 -0.087 0.000 1.065 199 M CA 1.486 56.651 55.300 -0.224 0.000 1.122 199 M CB -0.201 32.285 32.600 -0.191 0.000 1.365 199 M HN 0.086 nan 8.290 nan 0.000 0.411 200 E N 0.060 120.251 120.200 -0.015 0.000 2.077 200 E HA -0.224 4.130 4.350 0.006 0.000 0.193 200 E C 1.721 178.448 176.600 0.211 0.000 0.989 200 E CA 1.581 58.075 56.400 0.158 0.000 0.800 200 E CB -0.447 29.456 29.700 0.338 0.000 0.746 200 E HN 0.495 nan 8.360 nan 0.000 0.452 201 Y N 0.371 120.600 120.300 -0.118 0.000 2.224 201 Y HA -0.135 4.418 4.550 0.006 0.000 0.289 201 Y C 1.917 177.792 175.900 -0.042 0.000 1.146 201 Y CA 1.604 59.508 58.100 -0.327 0.000 1.182 201 Y CB -0.192 37.855 38.460 -0.688 0.000 0.983 201 Y HN 0.062 nan 8.280 nan 0.000 0.524 202 L N -0.294 120.852 121.223 -0.129 0.000 2.093 202 L HA -0.222 4.122 4.340 0.006 0.000 0.208 202 L C 1.996 178.813 176.870 -0.088 0.000 1.085 202 L CA 1.718 56.447 54.840 -0.186 0.000 0.755 202 L CB -0.579 41.343 42.059 -0.229 0.000 0.904 202 L HN 0.267 nan 8.230 nan 0.000 0.435 203 N N -0.426 118.254 118.700 -0.034 0.000 2.120 203 N HA -0.237 4.507 4.740 0.006 0.000 0.188 203 N C 1.768 177.287 175.510 0.016 0.000 1.024 203 N CA 1.207 54.257 53.050 0.000 0.000 0.852 203 N CB -0.177 38.331 38.487 0.036 0.000 1.003 203 N HN 0.204 nan 8.380 nan 0.000 0.424 204 F N 1.116 121.008 119.950 -0.097 0.000 2.102 204 F HA -0.193 4.338 4.527 0.006 0.000 0.298 204 F C 2.212 177.857 175.800 -0.258 0.000 1.105 204 F CA 1.238 59.145 58.000 -0.156 0.000 1.239 204 F CB -0.349 38.615 39.000 -0.059 0.000 0.991 204 F HN 0.189 nan 8.300 nan 0.000 0.474 205 W N 1.688 122.643 121.300 -0.575 0.000 2.338 205 W HA -0.295 4.369 4.660 0.006 0.000 0.304 205 W C 2.385 178.620 176.519 -0.474 0.000 1.212 205 W CA 2.227 59.173 57.345 -0.665 0.000 1.264 205 W CB -0.860 28.245 29.460 -0.592 0.000 1.142 205 W HN 0.307 nan 8.180 nan 0.000 0.512 206 Q N 0.435 120.199 119.800 -0.061 0.000 2.061 206 Q HA -0.259 4.084 4.340 0.006 0.000 0.204 206 Q C 2.248 178.134 176.000 -0.190 0.000 0.984 206 Q CA 2.324 58.078 55.803 -0.082 0.000 0.846 206 Q CB -0.716 27.988 28.738 -0.055 0.000 0.902 206 Q HN 0.177 nan 8.270 nan 0.000 0.421 207 Q N 0.056 119.704 119.800 -0.253 0.000 2.123 207 Q HA -0.010 4.334 4.340 0.006 0.000 0.199 207 Q C 0.223 176.009 176.000 -0.357 0.000 0.966 207 Q CA 1.150 56.798 55.803 -0.258 0.000 0.845 207 Q CB 0.318 28.924 28.738 -0.221 0.000 0.907 207 Q HN 0.344 nan 8.270 nan 0.000 0.439 208 K N 1.281 121.331 120.400 -0.583 0.000 2.800 208 K HA 0.259 4.582 4.320 0.006 0.000 0.185 208 K C -0.889 175.293 176.600 -0.697 0.000 1.082 208 K CA -0.108 55.806 56.287 -0.621 0.000 0.978 208 K CB 1.057 33.063 32.500 -0.823 0.000 1.364 208 K HN -0.134 nan 8.250 nan 0.000 0.592 209 T N 3.219 117.449 114.554 -0.539 0.000 2.769 209 T HA 0.111 4.464 4.350 0.006 0.000 0.293 209 T C -2.297 172.098 174.700 -0.509 0.000 0.931 209 T CA -1.253 60.478 62.100 -0.615 0.000 1.139 209 T CB 0.236 68.909 68.868 -0.325 0.000 0.881 209 T HN 0.108 nan 8.240 nan 0.000 0.532 210 P HA 0.079 nan 4.420 nan 0.000 0.266 210 P C 0.509 177.709 177.300 -0.166 0.000 1.195 210 P CA -0.120 62.758 63.100 -0.369 0.000 0.768 210 P CB 0.617 32.053 31.700 -0.440 0.000 0.838 211 V N 3.620 123.495 119.914 -0.064 0.000 2.391 211 V HA 0.028 4.151 4.120 0.006 0.000 0.237 211 V C 1.068 177.194 176.094 0.052 0.000 1.046 211 V CA 1.120 63.430 62.300 0.017 0.000 1.053 211 V CB -0.252 31.604 31.823 0.055 0.000 0.704 211 V HN 0.400 nan 8.190 nan 0.000 0.475 212 I N 2.355 122.964 120.570 0.065 0.000 2.325 212 I HA 0.343 4.517 4.170 0.006 0.000 0.291 212 I C -0.565 175.619 176.117 0.110 0.000 1.019 212 I CA -0.203 61.156 61.300 0.098 0.000 1.302 212 I CB 0.926 38.996 38.000 0.117 0.000 1.401 212 I HN 0.110 nan 8.210 nan 0.000 0.485 213 L N 7.045 128.358 121.223 0.151 0.000 2.305 213 L HA 0.614 4.958 4.340 0.006 0.000 0.284 213 L C -0.026 177.017 176.870 0.287 0.000 1.013 213 L CA 0.463 55.429 54.840 0.211 0.000 0.819 213 L CB 1.611 43.818 42.059 0.246 0.000 1.227 213 L HN 0.739 nan 8.230 nan 0.000 0.417 214 T N 2.599 117.353 114.554 0.334 0.000 2.669 214 T HA 0.971 5.324 4.350 0.006 0.000 0.283 214 T C -0.475 174.456 174.700 0.386 0.000 1.019 214 T CA -0.066 62.252 62.100 0.363 0.000 1.039 214 T CB 1.380 70.487 68.868 0.398 0.000 1.374 214 T HN 1.149 nan 8.240 nan 0.000 0.523 215 G N -0.270 108.752 108.800 0.370 0.000 2.346 215 G HA2 0.158 4.121 3.960 0.006 0.000 0.294 215 G HA3 0.158 4.121 3.960 0.006 0.000 0.294 215 G C -2.055 173.073 174.900 0.380 0.000 1.294 215 G CA -0.522 44.767 45.100 0.314 0.000 0.962 215 G HN 0.720 nan 8.290 nan 0.000 0.508 216 W N 1.743 123.103 121.300 0.101 0.000 2.376 216 W HA 0.472 5.135 4.660 0.006 0.000 0.312 216 W C 0.561 177.134 176.519 0.089 0.000 1.060 216 W CA -0.095 57.315 57.345 0.108 0.000 1.221 216 W CB 0.921 30.419 29.460 0.063 0.000 1.281 216 W HN 0.748 nan 8.180 nan 0.000 0.456 217 N N 2.624 121.246 118.700 -0.130 0.000 2.708 217 N HA -0.238 4.506 4.740 0.006 0.000 0.251 217 N C 1.016 176.591 175.510 0.108 0.000 1.123 217 N CA 1.538 54.573 53.050 -0.024 0.000 0.739 217 N CB -1.460 37.072 38.487 0.077 0.000 1.113 217 N HN 0.427 nan 8.380 nan 0.000 0.561 218 V N -2.360 117.615 119.914 0.102 0.000 2.490 218 V HA -0.118 4.005 4.120 0.006 0.000 0.250 218 V C 2.048 178.245 176.094 0.170 0.000 1.061 218 V CA 2.204 64.586 62.300 0.136 0.000 1.064 218 V CB -0.278 31.653 31.823 0.180 0.000 0.670 218 V HN 0.308 nan 8.190 nan 0.000 0.461 219 E N 1.416 121.682 120.200 0.110 0.000 2.107 219 E HA -0.153 4.201 4.350 0.006 0.000 0.191 219 E C 2.279 178.920 176.600 0.067 0.000 0.982 219 E CA 1.504 57.947 56.400 0.073 0.000 0.809 219 E CB 0.002 29.698 29.700 -0.006 0.000 0.756 219 E HN 0.869 nan 8.360 nan 0.000 0.459 220 S N -1.226 114.524 115.700 0.084 0.000 2.486 220 S HA 0.030 4.504 4.470 0.006 0.000 0.220 220 S C 1.424 176.182 174.600 0.263 0.000 1.011 220 S CA -0.163 58.108 58.200 0.118 0.000 0.921 220 S CB 0.060 63.301 63.200 0.067 0.000 0.785 220 S HN 0.325 nan 8.310 nan 0.000 0.517 221 F N 2.052 122.079 119.950 0.129 0.000 2.495 221 F HA 0.247 4.778 4.527 0.006 0.000 0.271 221 F C 2.473 178.384 175.800 0.185 0.000 0.889 221 F CA 0.861 58.972 58.000 0.186 0.000 1.129 221 F CB -0.631 38.480 39.000 0.185 0.000 1.169 221 F HN 0.177 nan 8.300 nan 0.000 0.781 222 D N 1.333 121.806 120.400 0.122 0.000 2.092 222 D HA -0.196 4.447 4.640 0.006 0.000 0.193 222 D C 1.962 178.354 176.300 0.153 0.000 0.994 222 D CA 2.389 56.383 54.000 -0.009 0.000 0.828 222 D CB -1.121 39.576 40.800 -0.172 0.000 0.963 222 D HN 0.382 nan 8.370 nan 0.000 0.450 223 I N 0.905 121.642 120.570 0.277 0.000 2.113 223 I HA -0.112 4.061 4.170 0.006 0.000 0.238 223 I C -0.229 175.989 176.117 0.168 0.000 1.070 223 I CA 1.698 63.182 61.300 0.307 0.000 1.332 223 I CB -0.922 37.250 38.000 0.287 0.000 1.044 223 I HN 0.236 nan 8.210 nan 0.000 0.402 224 P HA -0.216 nan 4.420 nan 0.000 0.220 224 P C 1.527 178.851 177.300 0.040 0.000 1.148 224 P CA 1.657 64.793 63.100 0.061 0.000 0.803 224 P CB -0.137 31.586 31.700 0.039 0.000 0.782 225 Y N 0.812 121.015 120.300 -0.161 0.000 2.133 225 Y HA -0.140 4.414 4.550 0.006 0.000 0.287 225 Y C 2.566 178.402 175.900 -0.107 0.000 1.134 225 Y CA 1.229 59.179 58.100 -0.250 0.000 1.133 225 Y CB -0.912 37.136 38.460 -0.686 0.000 0.987 225 Y HN -0.259 nan 8.280 nan 0.000 0.502 226 V N -0.241 119.763 119.914 0.151 0.000 2.332 226 V HA -0.323 3.801 4.120 0.006 0.000 0.248 226 V C 2.080 178.191 176.094 0.028 0.000 1.055 226 V CA 2.408 64.776 62.300 0.112 0.000 1.038 226 V CB -0.848 31.065 31.823 0.150 0.000 0.651 226 V HN 0.618 nan 8.190 nan 0.000 0.450 227 Y N 1.693 121.955 120.300 -0.062 0.000 2.128 227 Y HA -0.246 4.307 4.550 0.006 0.000 0.284 227 Y C 2.494 178.333 175.900 -0.103 0.000 1.154 227 Y CA 2.597 60.644 58.100 -0.089 0.000 1.149 227 Y CB -0.272 38.147 38.460 -0.069 0.000 0.976 227 Y HN 0.385 nan 8.280 nan 0.000 0.505 228 N N -0.030 118.682 118.700 0.019 0.000 2.270 228 N HA -0.114 4.630 4.740 0.006 0.000 0.181 228 N C 1.879 177.253 175.510 -0.226 0.000 1.016 228 N CA 1.017 54.008 53.050 -0.098 0.000 0.870 228 N CB -0.350 38.080 38.487 -0.096 0.000 0.979 228 N HN 0.266 nan 8.380 nan 0.000 0.431 229 R N 1.431 121.769 120.500 -0.270 0.000 2.066 229 R HA 0.140 4.484 4.340 0.006 0.000 0.232 229 R C 2.106 178.322 176.300 -0.139 0.000 1.131 229 R CA 0.909 56.875 56.100 -0.222 0.000 0.955 229 R CB -0.645 29.566 30.300 -0.149 0.000 0.851 229 R HN 0.157 nan 8.270 nan 0.000 0.432 230 I N 0.573 121.085 120.570 -0.096 0.000 2.264 230 I HA -0.292 3.881 4.170 0.006 0.000 0.248 230 I C 2.442 178.525 176.117 -0.057 0.000 1.111 230 I CA 1.439 62.750 61.300 0.018 0.000 1.382 230 I CB -0.330 37.648 38.000 -0.036 0.000 1.060 230 I HN 0.248 nan 8.210 nan 0.000 0.418 231 K N 0.854 121.116 120.400 -0.230 0.000 2.057 231 K HA -0.172 4.152 4.320 0.006 0.000 0.206 231 K C 1.862 178.371 176.600 -0.153 0.000 1.050 231 K CA 1.390 57.537 56.287 -0.233 0.000 0.935 231 K CB 0.012 32.321 32.500 -0.318 0.000 0.715 231 K HN 0.270 nan 8.250 nan 0.000 0.439 232 N N 0.689 119.291 118.700 -0.164 0.000 2.244 232 N HA -0.098 4.645 4.740 0.006 0.000 0.183 232 N C 1.721 177.111 175.510 -0.201 0.000 1.016 232 N CA 1.059 54.013 53.050 -0.160 0.000 0.866 232 N CB 0.002 38.390 38.487 -0.164 0.000 0.980 232 N HN 0.264 nan 8.380 nan 0.000 0.430 233 I N -1.507 118.891 120.570 -0.286 0.000 2.628 233 I HA -0.016 4.157 4.170 0.006 0.000 0.255 233 I C 0.970 176.729 176.117 -0.597 0.000 1.119 233 I CA 0.751 61.737 61.300 -0.523 0.000 1.448 233 I CB 0.075 37.588 38.000 -0.811 0.000 1.133 233 I HN -0.061 nan 8.210 nan 0.000 0.438 234 F N 0.145 120.030 119.950 -0.108 0.000 2.680 234 F HA 0.466 4.996 4.527 0.006 0.000 0.290 234 F C 1.142 176.880 175.800 -0.103 0.000 1.114 234 F CA 0.378 58.318 58.000 -0.100 0.000 1.333 234 F CB 0.581 39.515 39.000 -0.110 0.000 1.091 234 F HN 0.057 nan 8.300 nan 0.000 0.606 235 G N 0.495 109.314 108.800 0.032 0.000 2.423 235 G HA2 -0.146 3.817 3.960 0.006 0.000 0.684 235 G HA3 -0.146 3.817 3.960 0.006 0.000 0.684 235 G C -0.010 174.846 174.900 -0.073 0.000 1.309 235 G CA -0.361 44.725 45.100 -0.023 0.000 0.950 235 G HN 0.088 nan 8.290 nan 0.000 0.587 236 E N -0.507 119.648 120.200 -0.074 0.000 2.106 236 E HA -0.120 4.234 4.350 0.006 0.000 0.192 236 E C 2.802 179.348 176.600 -0.091 0.000 0.984 236 E CA 1.779 58.123 56.400 -0.093 0.000 0.806 236 E CB -0.078 29.606 29.700 -0.028 0.000 0.750 236 E HN 0.671 nan 8.360 nan 0.000 0.458 237 S N -0.388 115.275 115.700 -0.061 0.000 2.383 237 S HA -0.127 4.347 4.470 0.006 0.000 0.227 237 S C 2.032 176.580 174.600 -0.087 0.000 1.026 237 S CA 1.615 59.781 58.200 -0.057 0.000 0.981 237 S CB -0.481 62.694 63.200 -0.042 0.000 0.818 237 S HN 0.126 nan 8.310 nan 0.000 0.472 238 T N 2.520 117.014 114.554 -0.101 0.000 2.812 238 T HA 0.204 4.557 4.350 0.006 0.000 0.264 238 T C 2.265 176.843 174.700 -0.203 0.000 1.042 238 T CA 1.164 63.175 62.100 -0.149 0.000 1.140 238 T CB -0.833 67.954 68.868 -0.137 0.000 0.870 238 T HN 0.617 nan 8.240 nan 0.000 0.445 239 A N 2.037 124.704 122.820 -0.255 0.000 1.908 239 A HA -0.146 4.177 4.320 0.006 0.000 0.218 239 A C 2.165 179.575 177.584 -0.289 0.000 1.181 239 A CA 1.516 53.276 52.037 -0.462 0.000 0.627 239 A CB -0.484 17.946 19.000 -0.949 0.000 0.818 239 A HN 0.451 nan 8.150 nan 0.000 0.445 240 K N -0.570 119.758 120.400 -0.119 0.000 2.515 240 K HA -0.005 4.319 4.320 0.006 0.000 0.196 240 K C 1.714 178.293 176.600 -0.034 0.000 1.038 240 K CA 0.320 56.632 56.287 0.041 0.000 0.967 240 K CB -0.077 32.449 32.500 0.044 0.000 0.780 240 K HN 0.372 nan 8.250 nan 0.000 0.483 241 R N 0.553 120.984 120.500 -0.115 0.000 2.293 241 R HA -0.051 4.292 4.340 0.006 0.000 0.219 241 R C 1.738 177.915 176.300 -0.206 0.000 1.091 241 R CA 0.638 56.654 56.100 -0.140 0.000 1.004 241 R CB -0.217 29.980 30.300 -0.172 0.000 0.865 241 R HN 0.251 nan 8.270 nan 0.000 0.469 242 L N 0.240 121.294 121.223 -0.281 0.000 2.291 242 L HA -0.033 4.311 4.340 0.006 0.000 0.214 242 L C 1.233 178.099 176.870 -0.006 0.000 1.120 242 L CA 0.440 54.988 54.840 -0.487 0.000 0.799 242 L CB -0.053 41.721 42.059 -0.475 0.000 0.925 242 L HN -0.021 nan 8.230 nan 0.000 0.446 243 S N 0.285 116.008 115.700 0.038 0.000 2.438 243 S HA 0.254 4.727 4.470 0.006 0.000 0.293 243 S C -1.412 173.176 174.600 -0.019 0.000 1.141 243 S CA -1.634 56.610 58.200 0.073 0.000 1.080 243 S CB 1.106 64.366 63.200 0.099 0.000 0.978 243 S HN -0.077 nan 8.310 nan 0.000 0.479 244 P HA -0.113 nan 4.420 nan 0.000 0.223 244 P C 0.314 177.403 177.300 -0.352 0.000 1.144 244 P CA 1.243 64.184 63.100 -0.265 0.000 0.783 244 P CB -0.131 31.323 31.700 -0.411 0.000 0.771 245 H N -0.915 118.125 119.070 -0.050 0.000 2.594 245 H HA 0.269 4.829 4.556 0.006 0.000 0.279 245 H C 0.534 175.726 175.328 -0.227 0.000 1.042 245 H CA -0.254 55.651 56.048 -0.237 0.000 1.177 245 H CB 0.226 29.679 29.762 -0.515 0.000 1.524 245 H HN -0.044 nan 8.280 nan 0.000 0.537 246 R N 0.493 120.960 120.500 -0.055 0.000 3.641 246 R HA -0.193 4.151 4.340 0.006 0.000 0.286 246 R C 0.058 176.317 176.300 -0.068 0.000 1.153 246 R CA 0.527 56.597 56.100 -0.050 0.000 0.775 246 R CB -2.221 28.048 30.300 -0.052 0.000 1.215 246 R HN 0.455 nan 8.270 nan 0.000 0.474 247 K N 0.768 121.127 120.400 -0.069 0.000 2.471 247 K HA 0.420 4.744 4.320 0.006 0.000 0.252 247 K C -0.510 176.114 176.600 0.040 0.000 0.938 247 K CA -0.163 56.031 56.287 -0.155 0.000 0.796 247 K CB 1.624 33.830 32.500 -0.490 0.000 1.161 247 K HN 0.156 nan 8.250 nan 0.000 0.425 248 T N 0.665 115.255 114.554 0.060 0.000 2.896 248 T HA 0.633 4.986 4.350 0.006 0.000 0.297 248 T C -0.899 173.863 174.700 0.103 0.000 1.108 248 T CA -0.955 61.232 62.100 0.145 0.000 1.004 248 T CB 1.894 70.757 68.868 -0.009 0.000 1.159 248 T HN 0.721 nan 8.240 nan 0.000 0.499 249 R N 0.499 121.063 120.500 0.106 0.000 2.764 249 R HA 0.790 5.133 4.340 0.006 0.000 0.270 249 R C -2.115 174.162 176.300 -0.037 0.000 1.014 249 R CA -0.800 55.342 56.100 0.071 0.000 0.904 249 R CB 2.213 32.647 30.300 0.223 0.000 1.236 249 R HN 0.651 nan 8.270 nan 0.000 0.466 250 V N 2.966 122.860 119.914 -0.034 0.000 2.808 250 V HA 0.547 4.670 4.120 0.006 0.000 0.308 250 V C -1.143 174.932 176.094 -0.032 0.000 1.099 250 V CA -0.998 61.271 62.300 -0.052 0.000 0.920 250 V CB 1.884 33.674 31.823 -0.056 0.000 1.014 250 V HN 0.767 nan 8.190 nan 0.000 0.425 251 K N 2.765 123.141 120.400 -0.040 0.000 3.916 251 K HA -0.074 4.249 4.320 0.006 0.000 0.930 251 K C -0.674 175.892 176.600 -0.056 0.000 1.279 251 K CA 0.375 56.628 56.287 -0.057 0.000 1.337 251 K CB -0.727 31.732 32.500 -0.068 0.000 2.888 251 K HN 1.474 nan 8.250 nan 0.000 0.222 252 V N 3.653 123.535 119.914 -0.052 0.000 4.438 252 V HA -0.260 3.864 4.120 0.006 0.000 0.425 252 V C 0.615 176.667 176.094 -0.070 0.000 0.682 252 V CA 1.001 63.268 62.300 -0.054 0.000 1.725 252 V CB -0.845 30.953 31.823 -0.041 0.000 2.088 252 V HN 0.837 nan 8.190 nan 0.000 0.484 253 I N 1.198 121.717 120.570 -0.085 0.000 7.932 253 I HA -0.144 4.030 4.170 0.006 0.000 0.126 253 I C 0.721 176.797 176.117 -0.068 0.000 1.847 253 I CA 0.917 62.166 61.300 -0.086 0.000 2.038 253 I CB 0.051 37.996 38.000 -0.092 0.000 3.738 253 I HN 0.997 nan 8.210 nan 0.000 0.169 254 E N 6.152 126.309 120.200 -0.071 0.000 4.145 254 E HA 0.340 4.693 4.350 0.006 0.000 0.483 254 E C 1.179 177.755 176.600 -0.041 0.000 0.739 254 E CA 0.662 57.031 56.400 -0.051 0.000 2.968 254 E CB 0.349 30.018 29.700 -0.052 0.000 2.129 254 E HN 0.745 nan 8.360 nan 0.000 0.614 255 N N -0.675 118.011 118.700 -0.024 0.000 2.604 255 N HA 0.203 4.947 4.740 0.006 0.000 0.234 255 N C -0.233 175.281 175.510 0.007 0.000 1.064 255 N CA 0.059 53.101 53.050 -0.014 0.000 1.202 255 N CB 0.393 38.874 38.487 -0.011 0.000 1.575 255 N HN 0.326 nan 8.380 nan 0.000 0.619 256 M N -0.473 119.158 119.600 0.051 0.000 2.396 256 M HA 0.367 4.850 4.480 0.006 0.000 0.222 256 M C -2.275 174.225 176.300 0.334 0.000 0.972 256 M CA -0.759 54.598 55.300 0.095 0.000 0.887 256 M CB 1.121 33.711 32.600 -0.017 0.000 2.378 256 M HN 0.165 nan 8.290 nan 0.000 0.446 257 Y N 1.405 121.697 120.300 -0.014 0.000 2.342 257 Y HA 0.835 5.388 4.550 0.006 0.000 0.334 257 Y C 0.746 176.633 175.900 -0.021 0.000 1.067 257 Y CA -0.774 57.315 58.100 -0.018 0.000 1.128 257 Y CB 2.045 40.494 38.460 -0.019 0.000 1.200 257 Y HN 0.943 nan 8.280 nan 0.000 0.464 258 G N 1.224 110.101 108.800 0.128 0.000 2.524 258 G HA2 0.366 4.330 3.960 0.006 0.000 0.172 258 G HA3 0.366 4.330 3.960 0.006 0.000 0.172 258 G C -0.566 174.351 174.900 0.028 0.000 1.636 258 G CA -0.056 45.097 45.100 0.089 0.000 0.732 258 G HN 0.607 nan 8.290 nan 0.000 0.753 259 S N -0.650 115.059 115.700 0.015 0.000 2.537 259 S HA 0.725 5.199 4.470 0.006 0.000 0.271 259 S C -1.167 173.429 174.600 -0.007 0.000 1.148 259 S CA -0.839 57.357 58.200 -0.007 0.000 0.868 259 S CB 2.692 65.883 63.200 -0.015 0.000 1.115 259 S HN 0.488 nan 8.310 nan 0.000 0.461 260 R N 0.464 120.952 120.500 -0.020 0.000 2.691 260 R HA 0.633 4.976 4.340 0.006 0.000 0.259 260 R C -0.643 175.648 176.300 -0.015 0.000 1.048 260 R CA -0.878 55.214 56.100 -0.014 0.000 1.086 260 R CB 1.078 31.361 30.300 -0.028 0.000 1.166 260 R HN 0.725 nan 8.270 nan 0.000 0.526 261 E N 1.767 121.966 120.200 -0.002 0.000 2.199 261 E HA 0.349 4.702 4.350 0.006 0.000 0.265 261 E C -0.766 175.827 176.600 -0.013 0.000 0.882 261 E CA -0.475 55.919 56.400 -0.011 0.000 0.759 261 E CB 2.075 31.775 29.700 0.000 0.000 1.148 261 E HN 0.410 nan 8.360 nan 0.000 0.412 262 I N -0.712 119.834 120.570 -0.040 0.000 3.002 262 I HA 0.562 4.736 4.170 0.006 0.000 0.310 262 I C -0.824 175.240 176.117 -0.088 0.000 1.087 262 I CA -1.191 60.080 61.300 -0.048 0.000 1.017 262 I CB 1.672 39.638 38.000 -0.057 0.000 1.226 262 I HN 0.296 nan 8.210 nan 0.000 0.443 263 I N 2.644 123.149 120.570 -0.108 0.000 2.330 263 I HA 0.250 4.424 4.170 0.006 0.000 0.289 263 I C 0.003 176.039 176.117 -0.135 0.000 1.001 263 I CA -0.192 60.987 61.300 -0.202 0.000 1.193 263 I CB 1.118 38.886 38.000 -0.386 0.000 1.345 263 I HN 0.647 nan 8.210 nan 0.000 0.461 264 T N 7.859 122.339 114.554 -0.123 0.000 2.727 264 T HA 0.397 4.751 4.350 0.006 0.000 0.295 264 T C 0.435 175.108 174.700 -0.044 0.000 0.915 264 T CA -0.284 61.744 62.100 -0.119 0.000 1.066 264 T CB 0.058 68.814 68.868 -0.187 0.000 0.891 264 T HN 0.255 nan 8.240 nan 0.000 0.516 265 L N 4.603 125.817 121.223 -0.016 0.000 2.261 265 L HA 0.414 4.757 4.340 0.006 0.000 0.289 265 L C -0.064 176.866 176.870 0.099 0.000 1.059 265 L CA -0.803 54.093 54.840 0.094 0.000 0.816 265 L CB 0.004 42.138 42.059 0.125 0.000 1.191 265 L HN 0.511 nan 8.230 nan 0.000 0.431 266 F N 2.295 122.272 119.950 0.045 0.000 2.543 266 F HA 0.309 4.839 4.527 0.006 0.000 0.375 266 F C 1.455 177.353 175.800 0.163 0.000 1.075 266 F CA 1.006 59.065 58.000 0.098 0.000 1.225 266 F CB 0.742 39.787 39.000 0.075 0.000 1.099 266 F HN 0.741 nan 8.300 nan 0.000 0.561 267 G N 3.204 112.197 108.800 0.322 0.000 2.157 267 G HA2 -0.212 3.751 3.960 0.006 0.000 0.239 267 G HA3 -0.212 3.751 3.960 0.006 0.000 0.239 267 G C -0.203 174.777 174.900 0.133 0.000 0.982 267 G CA -0.320 44.945 45.100 0.275 0.000 0.650 267 G HN 0.448 nan 8.290 nan 0.000 0.527 268 I N 0.715 121.357 120.570 0.120 0.000 2.603 268 I HA 0.535 4.708 4.170 0.006 0.000 0.300 268 I C -0.077 176.094 176.117 0.090 0.000 1.017 268 I CA -0.665 60.702 61.300 0.112 0.000 1.098 268 I CB 1.976 40.077 38.000 0.167 0.000 1.279 268 I HN -0.010 nan 8.210 nan 0.000 0.437 269 S N 4.042 119.798 115.700 0.093 0.000 2.528 269 S HA 0.354 4.827 4.470 0.006 0.000 0.303 269 S C -0.109 174.560 174.600 0.115 0.000 1.123 269 S CA -0.459 57.792 58.200 0.085 0.000 1.138 269 S CB 0.741 63.983 63.200 0.070 0.000 0.984 269 S HN 0.308 nan 8.310 nan 0.000 0.474 270 V N 5.639 125.626 119.914 0.122 0.000 2.470 270 V HA 0.257 4.381 4.120 0.006 0.000 0.276 270 V C -0.040 176.168 176.094 0.190 0.000 1.040 270 V CA -0.045 62.352 62.300 0.160 0.000 1.008 270 V CB 0.354 32.263 31.823 0.143 0.000 0.990 270 V HN 0.690 nan 8.190 nan 0.000 0.477 271 L N 4.380 125.737 121.223 0.223 0.000 2.408 271 L HA 0.407 4.750 4.340 0.006 0.000 0.257 271 L C 0.003 177.027 176.870 0.257 0.000 1.053 271 L CA -0.509 54.501 54.840 0.284 0.000 0.922 271 L CB 1.171 43.353 42.059 0.204 0.000 1.261 271 L HN 0.517 nan 8.230 nan 0.000 0.458 272 D N 0.717 121.229 120.400 0.187 0.000 2.487 272 D HA -0.125 4.519 4.640 0.006 0.000 0.243 272 D C 0.688 177.045 176.300 0.095 0.000 1.154 272 D CA 0.471 54.534 54.000 0.106 0.000 0.876 272 D CB 0.856 41.631 40.800 -0.042 0.000 1.161 272 D HN 0.334 nan 8.370 nan 0.000 0.478 273 Y N 3.811 124.141 120.300 0.051 0.000 2.293 273 Y HA -0.116 4.437 4.550 0.006 0.000 0.291 273 Y C 2.200 177.992 175.900 -0.181 0.000 1.137 273 Y CA 0.922 59.091 58.100 0.114 0.000 1.202 273 Y CB -0.040 38.626 38.460 0.343 0.000 0.990 273 Y HN 0.587 nan 8.280 nan 0.000 0.537 274 I N -0.326 119.837 120.570 -0.679 0.000 2.264 274 I HA -0.359 3.814 4.170 0.006 0.000 0.248 274 I C 1.599 177.482 176.117 -0.391 0.000 1.111 274 I CA 1.902 62.618 61.300 -0.972 0.000 1.382 274 I CB -0.148 37.111 38.000 -1.236 0.000 1.060 274 I HN 0.204 nan 8.210 nan 0.000 0.418 275 D N 0.438 120.659 120.400 -0.299 0.000 2.123 275 D HA -0.116 4.528 4.640 0.006 0.000 0.200 275 D C 2.310 178.574 176.300 -0.061 0.000 0.976 275 D CA 1.117 54.974 54.000 -0.239 0.000 0.831 275 D CB -0.229 40.331 40.800 -0.398 0.000 0.974 275 D HN 0.358 nan 8.370 nan 0.000 0.469 276 L N -0.161 121.053 121.223 -0.016 0.000 2.046 276 L HA -0.215 4.128 4.340 0.006 0.000 0.208 276 L C 2.481 179.152 176.870 -0.332 0.000 1.077 276 L CA 1.082 55.797 54.840 -0.209 0.000 0.747 276 L CB -0.515 41.383 42.059 -0.269 0.000 0.896 276 L HN 0.051 nan 8.230 nan 0.000 0.432 277 Y N 1.110 121.311 120.300 -0.166 0.000 2.128 277 Y HA -0.297 4.256 4.550 0.006 0.000 0.284 277 Y C 2.603 178.447 175.900 -0.093 0.000 1.154 277 Y CA 1.749 59.916 58.100 0.112 0.000 1.149 277 Y CB -0.071 38.657 38.460 0.447 0.000 0.976 277 Y HN 0.003 nan 8.280 nan 0.000 0.505 278 K N -0.068 120.257 120.400 -0.125 0.000 2.097 278 K HA -0.198 4.126 4.320 0.006 0.000 0.206 278 K C 2.191 178.503 176.600 -0.479 0.000 1.049 278 K CA 1.605 57.724 56.287 -0.280 0.000 0.933 278 K CB -0.135 32.151 32.500 -0.357 0.000 0.717 278 K HN 0.237 nan 8.250 nan 0.000 0.442 279 K N 0.122 120.151 120.400 -0.619 0.000 2.076 279 K HA -0.052 4.272 4.320 0.006 0.000 0.204 279 K C 1.407 177.409 176.600 -0.996 0.000 1.051 279 K CA 1.215 56.989 56.287 -0.854 0.000 0.949 279 K CB 0.145 31.993 32.500 -1.087 0.000 0.726 279 K HN 0.079 nan 8.250 nan 0.000 0.443 280 F N -0.287 119.181 119.950 -0.805 0.000 2.694 280 F HA 0.049 4.579 4.527 0.006 0.000 0.292 280 F C 2.374 177.837 175.800 -0.562 0.000 1.121 280 F CA -0.016 57.473 58.000 -0.851 0.000 1.352 280 F CB 0.419 38.558 39.000 -1.434 0.000 1.107 280 F HN 0.081 nan 8.300 nan 0.000 0.597 281 S N 0.035 115.487 115.700 -0.412 0.000 2.428 281 S HA -0.166 4.307 4.470 0.006 0.000 0.230 281 S C 0.740 175.406 174.600 0.109 0.000 1.014 281 S CA 0.204 58.384 58.200 -0.033 0.000 0.957 281 S CB -0.929 61.936 63.200 -0.559 0.000 0.784 281 S HN 0.320 nan 8.310 nan 0.000 0.499 282 F N 2.446 122.344 119.950 -0.086 0.000 3.039 282 F HA -0.177 4.353 4.527 0.006 0.000 0.287 282 F C 0.691 176.487 175.800 -0.007 0.000 0.956 282 F CA 0.809 58.790 58.000 -0.033 0.000 0.971 282 F CB -2.414 36.587 39.000 0.003 0.000 0.943 282 F HN 0.569 nan 8.300 nan 0.000 0.766 283 T N -2.920 111.660 114.554 0.044 0.000 2.930 283 T HA 0.712 5.065 4.350 0.006 0.000 0.290 283 T C -0.580 174.142 174.700 0.037 0.000 1.052 283 T CA -0.966 61.160 62.100 0.044 0.000 1.017 283 T CB 2.540 71.408 68.868 0.000 0.000 1.137 283 T HN 0.122 nan 8.240 nan 0.000 0.511 284 N N 1.340 120.048 118.700 0.013 0.000 2.461 284 N HA 0.280 5.023 4.740 0.006 0.000 0.284 284 N C -1.137 174.317 175.510 -0.093 0.000 1.049 284 N CA -0.455 52.613 53.050 0.029 0.000 0.889 284 N CB 1.561 40.060 38.487 0.020 0.000 1.365 284 N HN 0.530 nan 8.380 nan 0.000 0.499 285 Q N 2.900 122.561 119.800 -0.231 0.000 2.222 285 Q HA 0.400 4.744 4.340 0.006 0.000 0.252 285 Q C -1.628 174.083 176.000 -0.483 0.000 0.926 285 Q CA -1.668 53.845 55.803 -0.483 0.000 0.899 285 Q CB 1.330 29.548 28.738 -0.867 0.000 1.250 285 Q HN 0.420 nan 8.270 nan 0.000 0.441 286 P HA -0.075 nan 4.420 nan 0.000 0.218 286 P C 0.138 177.002 177.300 -0.726 0.000 1.149 286 P CA 1.066 63.857 63.100 -0.514 0.000 0.817 286 P CB 0.472 31.927 31.700 -0.409 0.000 0.785 287 S N -2.363 112.699 115.700 -1.064 0.000 2.540 287 S HA 0.419 4.893 4.470 0.006 0.000 0.275 287 S C -0.908 173.275 174.600 -0.694 0.000 1.123 287 S CA -0.528 57.168 58.200 -0.841 0.000 0.907 287 S CB 0.526 63.174 63.200 -0.921 0.000 1.081 287 S HN -0.123 nan 8.310 nan 0.000 0.476 288 Y N 2.260 122.487 120.300 -0.121 0.000 2.681 288 Y HA 0.266 4.819 4.550 0.006 0.000 0.267 288 Y C 1.309 177.378 175.900 0.281 0.000 1.166 288 Y CA -0.291 57.880 58.100 0.117 0.000 1.209 288 Y CB 0.424 38.948 38.460 0.106 0.000 1.161 288 Y HN 0.690 nan 8.280 nan 0.000 0.534 289 S N -0.123 115.696 115.700 0.198 0.000 2.549 289 S HA -0.024 4.449 4.470 0.006 0.000 0.283 289 S C 1.308 175.899 174.600 -0.016 0.000 1.320 289 S CA -0.597 57.697 58.200 0.158 0.000 1.058 289 S CB 1.074 64.309 63.200 0.060 0.000 0.882 289 S HN 0.454 nan 8.310 nan 0.000 0.498 290 L N 2.061 123.084 121.223 -0.333 0.000 2.051 290 L HA -0.128 4.215 4.340 0.006 0.000 0.214 290 L C 2.086 178.670 176.870 -0.477 0.000 1.076 290 L CA 2.327 56.618 54.840 -0.915 0.000 0.758 290 L CB -1.188 40.287 42.059 -0.973 0.000 0.890 290 L HN 0.947 nan 8.230 nan 0.000 0.433 291 D N -1.809 118.442 120.400 -0.248 0.000 2.123 291 D HA -0.294 4.349 4.640 0.006 0.000 0.196 291 D C 2.117 178.351 176.300 -0.110 0.000 0.992 291 D CA 1.478 55.379 54.000 -0.165 0.000 0.833 291 D CB -0.266 40.478 40.800 -0.092 0.000 0.954 291 D HN 0.549 nan 8.370 nan 0.000 0.455 292 Y N 0.506 120.714 120.300 -0.154 0.000 2.145 292 Y HA -0.164 4.390 4.550 0.006 0.000 0.286 292 Y C 2.185 178.020 175.900 -0.107 0.000 1.145 292 Y CA 1.305 59.339 58.100 -0.111 0.000 1.148 292 Y CB -0.069 38.320 38.460 -0.119 0.000 0.981 292 Y HN -0.023 nan 8.280 nan 0.000 0.507 293 I N -0.841 119.710 120.570 -0.032 0.000 2.353 293 I HA -0.233 3.941 4.170 0.006 0.000 0.248 293 I C 2.364 178.395 176.117 -0.144 0.000 1.119 293 I CA 1.290 62.522 61.300 -0.114 0.000 1.417 293 I CB -1.568 36.221 38.000 -0.351 0.000 1.078 293 I HN 0.173 nan 8.210 nan 0.000 0.421 294 S N 0.445 115.993 115.700 -0.253 0.000 2.368 294 S HA -0.190 4.283 4.470 0.006 0.000 0.225 294 S C 1.922 176.428 174.600 -0.156 0.000 1.030 294 S CA 1.175 59.240 58.200 -0.225 0.000 0.999 294 S CB -0.197 62.844 63.200 -0.266 0.000 0.844 294 S HN 0.458 nan 8.310 nan 0.000 0.459 295 E N -0.024 120.077 120.200 -0.164 0.000 2.058 295 E HA -0.162 4.191 4.350 0.006 0.000 0.194 295 E C 1.797 178.322 176.600 -0.126 0.000 0.997 295 E CA 1.170 57.473 56.400 -0.161 0.000 0.801 295 E CB -0.176 29.395 29.700 -0.216 0.000 0.746 295 E HN 0.511 nan 8.360 nan 0.000 0.450 296 F N 1.828 121.625 119.950 -0.256 0.000 2.075 296 F HA -0.192 4.338 4.527 0.006 0.000 0.297 296 F C 2.195 177.956 175.800 -0.064 0.000 1.113 296 F CA 1.438 59.338 58.000 -0.167 0.000 1.218 296 F CB 0.094 39.021 39.000 -0.121 0.000 0.984 296 F HN -0.078 nan 8.300 nan 0.000 0.472 297 E N 0.182 120.387 120.200 0.007 0.000 2.112 297 E HA -0.051 4.303 4.350 0.006 0.000 0.190 297 E C 2.168 178.702 176.600 -0.111 0.000 0.979 297 E CA 1.330 57.707 56.400 -0.038 0.000 0.814 297 E CB -0.188 29.585 29.700 0.121 0.000 0.762 297 E HN 0.469 nan 8.360 nan 0.000 0.460 298 L N -0.137 121.023 121.223 -0.105 0.000 2.701 298 L HA 0.179 4.523 4.340 0.006 0.000 0.238 298 L C 0.485 177.305 176.870 -0.084 0.000 1.106 298 L CA -0.142 54.647 54.840 -0.086 0.000 0.898 298 L CB 0.106 42.098 42.059 -0.111 0.000 1.188 298 L HN 0.019 nan 8.230 nan 0.000 0.508 299 N N 0.869 119.502 118.700 -0.113 0.000 2.747 299 N HA -0.164 4.580 4.740 0.006 0.000 0.249 299 N C -0.319 175.137 175.510 -0.090 0.000 1.107 299 N CA 0.846 53.834 53.050 -0.103 0.000 0.707 299 N CB -1.255 37.181 38.487 -0.086 0.000 1.054 299 N HN 0.245 nan 8.380 nan 0.000 0.555 300 V N -1.846 118.008 119.914 -0.101 0.000 2.546 300 V HA 0.864 4.988 4.120 0.006 0.000 0.284 300 V C 1.440 177.475 176.094 -0.099 0.000 1.050 300 V CA -0.282 61.961 62.300 -0.095 0.000 0.981 300 V CB 1.400 33.158 31.823 -0.108 0.000 0.990 300 V HN 0.292 nan 8.190 nan 0.000 0.474 301 G N 4.233 112.985 108.800 -0.081 0.000 2.442 301 G HA2 0.297 4.260 3.960 0.006 0.000 0.249 301 G HA3 0.297 4.260 3.960 0.006 0.000 0.249 301 G C 0.279 175.122 174.900 -0.095 0.000 1.263 301 G CA -0.726 44.329 45.100 -0.076 0.000 0.846 301 G HN 1.099 nan 8.290 nan 0.000 0.555 302 K N 3.153 123.497 120.400 -0.094 0.000 2.453 302 K HA -0.046 4.278 4.320 0.006 0.000 0.280 302 K C 0.530 177.055 176.600 -0.126 0.000 1.045 302 K CA -0.062 56.159 56.287 -0.111 0.000 1.059 302 K CB 0.546 32.997 32.500 -0.082 0.000 0.901 302 K HN 0.536 nan 8.250 nan 0.000 0.475 303 L N 0.878 121.967 121.223 -0.222 0.000 2.515 303 L HA 0.296 4.639 4.340 0.006 0.000 0.281 303 L C -0.055 176.696 176.870 -0.198 0.000 1.131 303 L CA -0.387 54.230 54.840 -0.371 0.000 0.905 303 L CB 0.023 41.538 42.059 -0.907 0.000 1.246 303 L HN 0.573 nan 8.230 nan 0.000 0.463 304 K N 3.804 124.245 120.400 0.069 0.000 2.095 304 K HA 0.594 4.917 4.320 0.006 0.000 0.252 304 K C -1.216 175.601 176.600 0.361 0.000 0.977 304 K CA -0.568 55.774 56.287 0.092 0.000 0.900 304 K CB 1.255 33.766 32.500 0.018 0.000 1.060 304 K HN 0.690 nan 8.250 nan 0.000 0.449 305 Y N -1.417 119.000 120.300 0.195 0.000 2.609 305 Y HA 0.371 4.924 4.550 0.006 0.000 0.336 305 Y C -1.232 174.732 175.900 0.106 0.000 1.129 305 Y CA -1.517 56.682 58.100 0.165 0.000 1.040 305 Y CB 0.703 39.284 38.460 0.201 0.000 1.310 305 Y HN 0.408 nan 8.280 nan 0.000 0.460 306 D N 0.954 121.503 120.400 0.248 0.000 2.329 306 D HA 0.467 5.111 4.640 0.006 0.000 0.246 306 D C 0.754 177.198 176.300 0.240 0.000 1.111 306 D CA 1.335 55.430 54.000 0.159 0.000 0.941 306 D CB 1.234 42.103 40.800 0.114 0.000 1.169 306 D HN 1.166 nan 8.370 nan 0.000 0.441 307 G N 1.133 110.025 108.800 0.153 0.000 2.806 307 G HA2 -0.150 3.813 3.960 0.006 0.000 0.236 307 G HA3 -0.150 3.813 3.960 0.006 0.000 0.236 307 G C -2.516 172.525 174.900 0.236 0.000 1.387 307 G CA -0.791 44.403 45.100 0.156 0.000 0.884 307 G HN 0.519 nan 8.290 nan 0.000 0.560 308 P HA 0.371 nan 4.420 nan 0.000 0.276 308 P C 1.132 178.573 177.300 0.235 0.000 1.261 308 P CA -0.776 62.452 63.100 0.212 0.000 0.800 308 P CB 0.812 32.581 31.700 0.114 0.000 1.066 309 I N 0.958 121.663 120.570 0.225 0.000 2.676 309 I HA -0.163 4.011 4.170 0.006 0.000 0.259 309 I C 1.842 177.980 176.117 0.036 0.000 1.194 309 I CA 1.596 62.945 61.300 0.082 0.000 1.473 309 I CB -0.773 37.281 38.000 0.090 0.000 1.096 309 I HN 0.363 nan 8.210 nan 0.000 0.443 310 S N -0.096 115.610 115.700 0.011 0.000 2.481 310 S HA -0.063 4.410 4.470 0.006 0.000 0.231 310 S C 1.625 176.169 174.600 -0.093 0.000 0.996 310 S CA 0.443 58.600 58.200 -0.072 0.000 0.942 310 S CB -0.157 62.986 63.200 -0.095 0.000 0.768 310 S HN 0.447 nan 8.310 nan 0.000 0.520 311 K N -0.024 120.353 120.400 -0.039 0.000 2.358 311 K HA 0.333 4.656 4.320 0.006 0.000 0.200 311 K C 1.346 177.915 176.600 -0.051 0.000 1.030 311 K CA -0.145 56.117 56.287 -0.041 0.000 1.097 311 K CB -0.027 32.474 32.500 0.002 0.000 0.862 311 K HN 0.183 nan 8.250 nan 0.000 0.534 312 L N 2.089 123.278 121.223 -0.056 0.000 2.046 312 L HA -0.124 4.220 4.340 0.006 0.000 0.208 312 L C 2.367 179.143 176.870 -0.156 0.000 1.077 312 L CA 1.749 56.554 54.840 -0.058 0.000 0.747 312 L CB -0.303 41.725 42.059 -0.052 0.000 0.896 312 L HN 0.070 nan 8.230 nan 0.000 0.432 313 R N -0.481 119.730 120.500 -0.482 0.000 2.081 313 R HA -0.190 4.153 4.340 0.006 0.000 0.235 313 R C 2.225 178.409 176.300 -0.192 0.000 1.131 313 R CA 1.695 57.405 56.100 -0.650 0.000 0.960 313 R CB -0.182 29.456 30.300 -1.103 0.000 0.856 313 R HN 0.735 nan 8.270 nan 0.000 0.436 314 E N -0.338 119.780 120.200 -0.135 0.000 2.170 314 E HA -0.100 4.253 4.350 0.006 0.000 0.191 314 E C 1.604 178.196 176.600 -0.014 0.000 0.981 314 E CA 1.357 57.728 56.400 -0.049 0.000 0.830 314 E CB -0.038 29.645 29.700 -0.028 0.000 0.775 314 E HN 0.320 nan 8.360 nan 0.000 0.470 315 S N 0.033 115.725 115.700 -0.014 0.000 2.446 315 S HA -0.001 4.472 4.470 0.006 0.000 0.225 315 S C 0.986 175.602 174.600 0.026 0.000 1.016 315 S CA 0.400 58.608 58.200 0.013 0.000 0.943 315 S CB 0.110 63.324 63.200 0.023 0.000 0.786 315 S HN 0.176 nan 8.310 nan 0.000 0.508 316 N N 0.386 119.102 118.700 0.026 0.000 2.785 316 N HA 0.118 4.862 4.740 0.006 0.000 0.224 316 N C -0.005 175.547 175.510 0.070 0.000 1.448 316 N CA -0.263 52.811 53.050 0.041 0.000 0.748 316 N CB 0.104 38.605 38.487 0.022 0.000 1.385 316 N HN 0.420 nan 8.380 nan 0.000 0.538 317 H N 0.554 119.635 119.070 0.018 0.000 2.421 317 H HA -0.123 4.437 4.556 0.006 0.000 0.298 317 H C 1.284 176.717 175.328 0.175 0.000 1.087 317 H CA 1.852 57.946 56.048 0.077 0.000 1.330 317 H CB 0.693 30.492 29.762 0.061 0.000 1.388 317 H HN 0.437 nan 8.280 nan 0.000 0.526 318 Q N 1.488 121.320 119.800 0.052 0.000 2.045 318 Q HA -0.195 4.148 4.340 0.006 0.000 0.206 318 Q C 2.643 178.653 176.000 0.016 0.000 0.991 318 Q CA 2.323 58.159 55.803 0.055 0.000 0.851 318 Q CB -0.386 28.354 28.738 0.003 0.000 0.911 318 Q HN 0.432 nan 8.270 nan 0.000 0.418 319 R N -1.506 118.936 120.500 -0.096 0.000 2.075 319 R HA -0.162 4.181 4.340 0.006 0.000 0.232 319 R C 2.213 178.314 176.300 -0.332 0.000 1.126 319 R CA 1.272 57.176 56.100 -0.326 0.000 0.963 319 R CB -0.643 29.441 30.300 -0.359 0.000 0.858 319 R HN 0.421 nan 8.270 nan 0.000 0.435 320 Y N 0.904 121.042 120.300 -0.271 0.000 2.069 320 Y HA -0.316 4.237 4.550 0.006 0.000 0.278 320 Y C 1.866 177.663 175.900 -0.172 0.000 1.175 320 Y CA 1.959 59.940 58.100 -0.198 0.000 1.134 320 Y CB -0.122 38.260 38.460 -0.130 0.000 0.965 320 Y HN 0.067 nan 8.280 nan 0.000 0.498 321 I N -1.052 119.430 120.570 -0.147 0.000 2.193 321 I HA -0.254 3.919 4.170 0.006 0.000 0.240 321 I C 2.517 178.448 176.117 -0.309 0.000 1.084 321 I CA 1.551 62.673 61.300 -0.296 0.000 1.365 321 I CB -1.637 36.077 38.000 -0.477 0.000 1.064 321 I HN 0.140 nan 8.210 nan 0.000 0.410 322 S N -0.111 115.498 115.700 -0.151 0.000 2.387 322 S HA -0.210 4.264 4.470 0.006 0.000 0.230 322 S C 2.010 176.675 174.600 0.107 0.000 1.035 322 S CA 1.375 59.587 58.200 0.021 0.000 1.014 322 S CB -0.403 62.883 63.200 0.145 0.000 0.836 322 S HN 0.444 nan 8.310 nan 0.000 0.466 323 Y N 1.116 121.361 120.300 -0.092 0.000 2.395 323 Y HA 0.005 4.559 4.550 0.006 0.000 0.293 323 Y C 2.695 178.511 175.900 -0.141 0.000 1.123 323 Y CA 0.199 58.240 58.100 -0.098 0.000 1.227 323 Y CB -0.144 38.262 38.460 -0.090 0.000 1.012 323 Y HN 0.372 nan 8.280 nan 0.000 0.552 324 N N 1.266 119.936 118.700 -0.051 0.000 2.142 324 N HA -0.176 4.568 4.740 0.006 0.000 0.186 324 N C 1.666 177.165 175.510 -0.018 0.000 1.023 324 N CA 1.159 54.157 53.050 -0.086 0.000 0.852 324 N CB -0.108 38.285 38.487 -0.157 0.000 0.998 324 N HN 0.307 nan 8.380 nan 0.000 0.424 325 I N 1.072 121.606 120.570 -0.060 0.000 2.179 325 I HA -0.253 3.920 4.170 0.006 0.000 0.242 325 I C 2.197 178.289 176.117 -0.042 0.000 1.088 325 I CA 0.957 62.211 61.300 -0.077 0.000 1.357 325 I CB -0.245 37.615 38.000 -0.232 0.000 1.051 325 I HN 0.114 nan 8.210 nan 0.000 0.409 326 I N 1.330 121.898 120.570 -0.002 0.000 2.286 326 I HA -0.292 3.882 4.170 0.006 0.000 0.248 326 I C 2.785 178.914 176.117 0.020 0.000 1.115 326 I CA 1.799 63.120 61.300 0.035 0.000 1.392 326 I CB -1.162 36.869 38.000 0.051 0.000 1.065 326 I HN 0.370 nan 8.210 nan 0.000 0.418 327 D N 0.636 121.033 120.400 -0.005 0.000 2.133 327 D HA -0.147 4.496 4.640 0.006 0.000 0.195 327 D C 2.184 178.502 176.300 0.031 0.000 0.997 327 D CA 2.017 55.999 54.000 -0.030 0.000 0.840 327 D CB -0.793 39.990 40.800 -0.028 0.000 0.947 327 D HN 0.162 nan 8.370 nan 0.000 0.452 328 V N -0.754 119.238 119.914 0.131 0.000 2.323 328 V HA -0.109 4.015 4.120 0.006 0.000 0.244 328 V C 2.373 178.629 176.094 0.271 0.000 1.041 328 V CA 1.445 63.888 62.300 0.239 0.000 1.025 328 V CB -0.690 31.376 31.823 0.404 0.000 0.656 328 V HN 0.642 nan 8.190 nan 0.000 0.451 329 Y N 1.538 121.922 120.300 0.139 0.000 2.224 329 Y HA -0.182 4.372 4.550 0.006 0.000 0.289 329 Y C 2.684 178.564 175.900 -0.034 0.000 1.146 329 Y CA 1.387 59.534 58.100 0.078 0.000 1.182 329 Y CB -0.340 38.081 38.460 -0.064 0.000 0.983 329 Y HN 0.075 nan 8.280 nan 0.000 0.524 330 R N -0.118 120.298 120.500 -0.140 0.000 2.096 330 R HA -0.158 4.185 4.340 0.006 0.000 0.240 330 R C 2.365 178.487 176.300 -0.297 0.000 1.139 330 R CA 1.626 57.559 56.100 -0.278 0.000 0.952 330 R CB -1.511 28.640 30.300 -0.248 0.000 0.854 330 R HN 0.352 nan 8.270 nan 0.000 0.436 331 V N 1.164 120.947 119.914 -0.219 0.000 2.407 331 V HA -0.194 3.929 4.120 0.006 0.000 0.248 331 V C 2.356 178.251 176.094 -0.333 0.000 1.055 331 V CA 1.196 63.336 62.300 -0.266 0.000 1.049 331 V CB -0.470 31.301 31.823 -0.087 0.000 0.662 331 V HN 0.087 nan 8.190 nan 0.000 0.455 332 L N -0.279 120.815 121.223 -0.215 0.000 2.056 332 L HA -0.141 4.202 4.340 0.006 0.000 0.207 332 L C 2.529 179.264 176.870 -0.225 0.000 1.078 332 L CA 1.709 56.437 54.840 -0.187 0.000 0.749 332 L CB -1.246 40.736 42.059 -0.128 0.000 0.901 332 L HN 0.397 nan 8.230 nan 0.000 0.433 333 Q N -0.789 118.797 119.800 -0.357 0.000 2.050 333 Q HA -0.168 4.176 4.340 0.006 0.000 0.202 333 Q C 2.303 178.175 176.000 -0.213 0.000 0.980 333 Q CA 1.477 57.078 55.803 -0.338 0.000 0.840 333 Q CB -0.132 28.308 28.738 -0.495 0.000 0.898 333 Q HN 0.469 nan 8.270 nan 0.000 0.424 334 I N 0.713 121.148 120.570 -0.226 0.000 2.286 334 I HA -0.267 3.907 4.170 0.006 0.000 0.248 334 I C 1.921 177.970 176.117 -0.113 0.000 1.115 334 I CA 1.225 62.443 61.300 -0.137 0.000 1.392 334 I CB -0.232 37.707 38.000 -0.102 0.000 1.065 334 I HN 0.169 nan 8.210 nan 0.000 0.418 335 D N 0.886 121.181 120.400 -0.175 0.000 2.117 335 D HA -0.131 4.513 4.640 0.006 0.000 0.198 335 D C 2.245 178.516 176.300 -0.049 0.000 0.982 335 D CA 1.359 55.341 54.000 -0.029 0.000 0.828 335 D CB 0.022 40.847 40.800 0.042 0.000 0.967 335 D HN 0.269 nan 8.370 nan 0.000 0.464 336 A N 0.568 123.349 122.820 -0.063 0.000 1.958 336 A HA -0.283 4.041 4.320 0.006 0.000 0.221 336 A C 2.110 179.653 177.584 -0.067 0.000 1.178 336 A CA 2.031 54.042 52.037 -0.043 0.000 0.642 336 A CB -0.632 18.350 19.000 -0.031 0.000 0.816 336 A HN 0.267 nan 8.150 nan 0.000 0.453 337 K N -1.559 118.785 120.400 -0.094 0.000 2.021 337 K HA -0.062 4.261 4.320 0.006 0.000 0.205 337 K C 2.218 178.719 176.600 -0.164 0.000 1.047 337 K CA 0.811 57.026 56.287 -0.120 0.000 0.943 337 K CB -0.103 32.335 32.500 -0.102 0.000 0.725 337 K HN 0.240 nan 8.250 nan 0.000 0.439 338 R N 0.495 120.850 120.500 -0.242 0.000 2.140 338 R HA 0.063 4.406 4.340 0.006 0.000 0.213 338 R C 0.312 176.299 176.300 -0.521 0.000 1.059 338 R CA 0.587 56.378 56.100 -0.514 0.000 1.000 338 R CB -0.125 29.553 30.300 -1.037 0.000 0.910 338 R HN 0.392 nan 8.270 nan 0.000 0.455 339 Q N -0.278 119.347 119.800 -0.291 0.000 2.478 339 Q HA -0.171 4.173 4.340 0.006 0.000 0.286 339 Q C -0.032 175.965 176.000 -0.005 0.000 1.299 339 Q CA 0.373 56.112 55.803 -0.106 0.000 0.826 339 Q CB -1.672 27.015 28.738 -0.085 0.000 1.199 339 Q HN 0.179 nan 8.270 nan 0.000 0.451 340 F N -0.534 119.454 119.950 0.063 0.000 2.293 340 F HA -0.036 4.495 4.527 0.006 0.000 0.297 340 F C 2.199 177.936 175.800 -0.105 0.000 1.089 340 F CA 0.210 58.150 58.000 -0.101 0.000 1.377 340 F CB -0.163 38.812 39.000 -0.041 0.000 1.051 340 F HN 0.239 nan 8.300 nan 0.000 0.511 341 I N 0.211 120.913 120.570 0.220 0.000 2.202 341 I HA -0.287 3.887 4.170 0.006 0.000 0.242 341 I C 2.263 178.417 176.117 0.062 0.000 1.091 341 I CA 1.397 62.788 61.300 0.152 0.000 1.368 341 I CB -1.510 36.626 38.000 0.226 0.000 1.058 341 I HN 0.176 nan 8.210 nan 0.000 0.410 342 N N 1.596 120.329 118.700 0.056 0.000 2.061 342 N HA -0.222 4.522 4.740 0.006 0.000 0.193 342 N C 2.009 177.513 175.510 -0.010 0.000 1.030 342 N CA 1.424 54.494 53.050 0.034 0.000 0.856 342 N CB -0.294 38.188 38.487 -0.007 0.000 1.023 342 N HN 0.302 nan 8.380 nan 0.000 0.424 343 L N -0.162 121.005 121.223 -0.095 0.000 2.046 343 L HA -0.150 4.193 4.340 0.006 0.000 0.208 343 L C 1.928 178.644 176.870 -0.256 0.000 1.077 343 L CA 1.510 56.213 54.840 -0.228 0.000 0.747 343 L CB -0.568 41.243 42.059 -0.414 0.000 0.896 343 L HN 0.285 nan 8.230 nan 0.000 0.432 344 S N 0.221 115.779 115.700 -0.238 0.000 2.356 344 S HA -0.188 4.285 4.470 0.006 0.000 0.223 344 S C 1.884 176.372 174.600 -0.186 0.000 1.032 344 S CA 1.337 59.419 58.200 -0.196 0.000 1.005 344 S CB -0.333 62.789 63.200 -0.130 0.000 0.867 344 S HN 0.364 nan 8.310 nan 0.000 0.449 345 L N 1.251 122.371 121.223 -0.172 0.000 2.056 345 L HA -0.132 4.212 4.340 0.006 0.000 0.207 345 L C 2.259 179.003 176.870 -0.209 0.000 1.078 345 L CA 1.051 55.714 54.840 -0.295 0.000 0.749 345 L CB -0.668 41.192 42.059 -0.330 0.000 0.901 345 L HN 0.165 nan 8.230 nan 0.000 0.433 346 D N 0.046 120.436 120.400 -0.017 0.000 2.092 346 D HA -0.199 4.444 4.640 0.006 0.000 0.193 346 D C 2.347 178.689 176.300 0.069 0.000 0.994 346 D CA 1.557 55.635 54.000 0.130 0.000 0.828 346 D CB -0.113 40.729 40.800 0.071 0.000 0.963 346 D HN 0.246 nan 8.370 nan 0.000 0.450 347 M N -0.105 119.467 119.600 -0.048 0.000 2.132 347 M HA -0.036 4.448 4.480 0.006 0.000 0.263 347 M C 2.313 178.604 176.300 -0.016 0.000 1.065 347 M CA 1.610 56.878 55.300 -0.053 0.000 1.122 347 M CB -0.402 32.123 32.600 -0.124 0.000 1.365 347 M HN 0.026 nan 8.290 nan 0.000 0.411 348 G N -0.756 107.977 108.800 -0.111 0.000 2.418 348 G HA2 -0.214 3.749 3.960 0.006 0.000 0.217 348 G HA3 -0.214 3.749 3.960 0.006 0.000 0.217 348 G C 1.103 175.918 174.900 -0.141 0.000 1.158 348 G CA 0.757 45.752 45.100 -0.174 0.000 0.771 348 G HN 0.345 nan 8.290 nan 0.000 0.545 349 Y N -1.085 119.188 120.300 -0.046 0.000 2.337 349 Y HA 0.060 4.613 4.550 0.006 0.000 0.293 349 Y C 2.398 178.340 175.900 0.070 0.000 1.123 349 Y CA 0.319 58.398 58.100 -0.034 0.000 1.201 349 Y CB -0.636 37.716 38.460 -0.181 0.000 1.011 349 Y HN 0.292 nan 8.280 nan 0.000 0.545 350 Y N 0.273 120.645 120.300 0.120 0.000 2.128 350 Y HA -0.257 4.296 4.550 0.006 0.000 0.284 350 Y C 2.405 178.327 175.900 0.037 0.000 1.154 350 Y CA 1.697 59.838 58.100 0.068 0.000 1.149 350 Y CB -0.455 38.017 38.460 0.020 0.000 0.976 350 Y HN 0.025 nan 8.280 nan 0.000 0.505 351 A N -0.282 122.592 122.820 0.090 0.000 2.067 351 A HA 0.022 4.345 4.320 0.006 0.000 0.217 351 A C 0.965 178.566 177.584 0.028 0.000 1.156 351 A CA 0.808 52.849 52.037 0.006 0.000 0.683 351 A CB -0.393 18.612 19.000 0.008 0.000 0.808 351 A HN 0.461 nan 8.150 nan 0.000 0.455 352 K N -0.712 119.742 120.400 0.090 0.000 3.239 352 K HA -0.152 4.171 4.320 0.006 0.000 0.270 352 K C -0.433 176.190 176.600 0.039 0.000 1.083 352 K CA 0.895 57.261 56.287 0.131 0.000 0.782 352 K CB -2.094 30.457 32.500 0.086 0.000 1.290 352 K HN 0.807 nan 8.250 nan 0.000 0.474 353 I N -3.389 117.209 120.570 0.047 0.000 3.067 353 I HA 0.318 4.491 4.170 0.006 0.000 0.312 353 I C 0.242 176.353 176.117 -0.010 0.000 1.073 353 I CA -1.503 59.793 61.300 -0.007 0.000 1.016 353 I CB 1.356 39.360 38.000 0.006 0.000 1.227 353 I HN -0.029 nan 8.210 nan 0.000 0.456 354 Q N 1.911 121.696 119.800 -0.025 0.000 2.304 354 Q HA 0.090 4.434 4.340 0.006 0.000 0.301 354 Q C 0.895 176.889 176.000 -0.009 0.000 1.063 354 Q CA -0.189 55.621 55.803 0.012 0.000 0.947 354 Q CB 1.113 29.850 28.738 -0.002 0.000 1.201 354 Q HN 0.534 nan 8.270 nan 0.000 0.389 355 I N 2.432 122.983 120.570 -0.032 0.000 2.264 355 I HA -0.314 3.859 4.170 0.006 0.000 0.248 355 I C 2.445 178.521 176.117 -0.069 0.000 1.111 355 I CA 1.595 62.825 61.300 -0.117 0.000 1.382 355 I CB -1.241 36.658 38.000 -0.169 0.000 1.060 355 I HN 0.769 nan 8.210 nan 0.000 0.418 356 Q N 0.342 120.145 119.800 0.004 0.000 2.439 356 Q HA -0.092 4.251 4.340 0.006 0.000 0.211 356 Q C 1.630 177.699 176.000 0.116 0.000 0.978 356 Q CA 1.169 57.026 55.803 0.090 0.000 0.897 356 Q CB -0.688 28.127 28.738 0.128 0.000 0.956 356 Q HN 0.334 nan 8.270 nan 0.000 0.483 357 S N 1.267 116.986 115.700 0.030 0.000 2.603 357 S HA 0.004 4.478 4.470 0.006 0.000 0.220 357 S C 1.851 176.449 174.600 -0.002 0.000 0.967 357 S CA 0.591 58.811 58.200 0.033 0.000 0.920 357 S CB -0.075 63.133 63.200 0.013 0.000 0.773 357 S HN 0.493 nan 8.310 nan 0.000 0.529 358 V N -1.310 118.554 119.914 -0.084 0.000 2.688 358 V HA -0.116 4.008 4.120 0.006 0.000 0.256 358 V C 1.627 177.627 176.094 -0.157 0.000 1.084 358 V CA 1.531 63.752 62.300 -0.132 0.000 1.103 358 V CB -1.231 30.491 31.823 -0.168 0.000 0.688 358 V HN 0.375 nan 8.190 nan 0.000 0.480 359 F N 1.427 121.337 119.950 -0.066 0.000 2.365 359 F HA 0.178 4.709 4.527 0.006 0.000 0.300 359 F C 1.837 177.574 175.800 -0.105 0.000 1.090 359 F CA 1.221 59.138 58.000 -0.139 0.000 1.408 359 F CB -0.277 38.631 39.000 -0.152 0.000 1.060 359 F HN 0.275 nan 8.300 nan 0.000 0.534 360 S N 0.497 116.260 115.700 0.106 0.000 2.520 360 S HA 0.300 4.774 4.470 0.006 0.000 0.324 360 S C -1.824 172.819 174.600 0.071 0.000 1.069 360 S CA -1.684 56.559 58.200 0.071 0.000 1.121 360 S CB 0.893 64.127 63.200 0.057 0.000 0.971 360 S HN -0.194 nan 8.310 nan 0.000 0.463 361 P HA -0.045 nan 4.420 nan 0.000 0.218 361 P C 1.238 178.672 177.300 0.224 0.000 1.148 361 P CA 0.923 64.112 63.100 0.148 0.000 0.822 361 P CB 0.107 31.911 31.700 0.173 0.000 0.784 362 I N -0.897 119.778 120.570 0.175 0.000 2.179 362 I HA -0.229 3.944 4.170 0.006 0.000 0.242 362 I C 2.401 178.716 176.117 0.331 0.000 1.088 362 I CA 1.372 62.824 61.300 0.253 0.000 1.357 362 I CB -0.416 37.740 38.000 0.260 0.000 1.051 362 I HN -0.113 nan 8.210 nan 0.000 0.409 363 K N 0.487 121.008 120.400 0.202 0.000 2.032 363 K HA -0.146 4.177 4.320 0.006 0.000 0.209 363 K C 2.136 178.828 176.600 0.154 0.000 1.048 363 K CA 1.881 58.261 56.287 0.155 0.000 0.927 363 K CB -0.543 32.005 32.500 0.079 0.000 0.712 363 K HN 0.309 nan 8.250 nan 0.000 0.441 364 T N -0.315 114.296 114.554 0.095 0.000 2.684 364 T HA -0.174 4.180 4.350 0.006 0.000 0.267 364 T C 1.738 176.447 174.700 0.015 0.000 1.036 364 T CA 1.630 63.717 62.100 -0.022 0.000 1.148 364 T CB -0.342 68.420 68.868 -0.177 0.000 0.863 364 T HN 0.413 nan 8.240 nan 0.000 0.436 365 W N 1.060 122.493 121.300 0.222 0.000 2.518 365 W HA 0.039 4.703 4.660 0.006 0.000 0.273 365 W C 2.251 179.018 176.519 0.413 0.000 1.247 365 W CA 0.145 57.668 57.345 0.297 0.000 1.288 365 W CB -0.173 29.446 29.460 0.264 0.000 1.107 365 W HN 0.257 nan 8.180 nan 0.000 0.586 366 D N 0.063 120.846 120.400 0.638 0.000 2.117 366 D HA -0.172 4.472 4.640 0.006 0.000 0.197 366 D C 2.209 178.755 176.300 0.410 0.000 0.987 366 D CA 1.896 56.198 54.000 0.504 0.000 0.829 366 D CB -0.279 40.722 40.800 0.336 0.000 0.961 366 D HN 0.007 nan 8.370 nan 0.000 0.460 367 A N -0.055 122.956 122.820 0.318 0.000 1.898 367 A HA -0.069 4.254 4.320 0.006 0.000 0.216 367 A C 2.393 180.137 177.584 0.268 0.000 1.181 367 A CA 0.976 53.193 52.037 0.300 0.000 0.620 367 A CB -0.678 18.432 19.000 0.182 0.000 0.819 367 A HN 0.324 nan 8.150 nan 0.000 0.442 368 I N -0.323 120.377 120.570 0.217 0.000 2.142 368 I HA -0.261 3.912 4.170 0.006 0.000 0.240 368 I C 2.294 178.540 176.117 0.215 0.000 1.078 368 I CA 1.473 62.868 61.300 0.159 0.000 1.343 368 I CB -0.343 37.752 38.000 0.157 0.000 1.046 368 I HN 0.280 nan 8.210 nan 0.000 0.405 369 I N 0.121 120.895 120.570 0.340 0.000 2.252 369 I HA -0.308 3.865 4.170 0.006 0.000 0.245 369 I C 2.521 178.779 176.117 0.234 0.000 1.102 369 I CA 1.497 62.952 61.300 0.257 0.000 1.385 369 I CB -0.404 37.738 38.000 0.237 0.000 1.064 369 I HN 0.191 nan 8.210 nan 0.000 0.414 370 F N 2.085 122.146 119.950 0.186 0.000 2.069 370 F HA -0.288 4.243 4.527 0.006 0.000 0.298 370 F C 2.404 178.262 175.800 0.098 0.000 1.113 370 F CA 1.773 59.858 58.000 0.143 0.000 1.214 370 F CB -0.345 38.742 39.000 0.144 0.000 0.978 370 F HN 0.053 nan 8.300 nan 0.000 0.474 371 N N 0.053 118.556 118.700 -0.330 0.000 2.223 371 N HA -0.194 4.550 4.740 0.006 0.000 0.185 371 N C 2.076 177.452 175.510 -0.224 0.000 1.016 371 N CA 1.375 54.176 53.050 -0.414 0.000 0.863 371 N CB -0.363 38.000 38.487 -0.206 0.000 0.983 371 N HN 0.360 nan 8.380 nan 0.000 0.429 372 S N 0.286 115.929 115.700 -0.095 0.000 2.387 372 S HA 0.011 4.484 4.470 0.006 0.000 0.226 372 S C 1.803 176.373 174.600 -0.049 0.000 1.026 372 S CA 0.428 58.601 58.200 -0.044 0.000 0.972 372 S CB 0.057 63.266 63.200 0.016 0.000 0.814 372 S HN 0.055 nan 8.310 nan 0.000 0.477 373 L N 1.925 123.118 121.223 -0.049 0.000 2.095 373 L HA 0.215 4.559 4.340 0.006 0.000 0.204 373 L C 2.353 179.198 176.870 -0.042 0.000 1.080 373 L CA 1.585 56.412 54.840 -0.022 0.000 0.759 373 L CB -1.023 41.058 42.059 0.036 0.000 0.914 373 L HN 0.238 nan 8.230 nan 0.000 0.439 374 K N -0.315 119.999 120.400 -0.143 0.000 2.113 374 K HA -0.268 4.055 4.320 0.006 0.000 0.208 374 K C 1.966 178.534 176.600 -0.054 0.000 1.047 374 K CA 1.589 57.792 56.287 -0.140 0.000 0.928 374 K CB 0.117 32.361 32.500 -0.425 0.000 0.716 374 K HN 0.129 nan 8.250 nan 0.000 0.446 375 E N 0.795 120.950 120.200 -0.074 0.000 2.204 375 E HA -0.172 4.181 4.350 0.006 0.000 0.195 375 E C 1.103 177.705 176.600 0.004 0.000 0.990 375 E CA 1.414 57.797 56.400 -0.028 0.000 0.821 375 E CB 0.155 29.834 29.700 -0.035 0.000 0.750 375 E HN 0.348 nan 8.360 nan 0.000 0.477 376 Q N -0.452 119.353 119.800 0.008 0.000 2.280 376 Q HA 0.195 4.539 4.340 0.006 0.000 0.201 376 Q C -0.198 175.836 176.000 0.056 0.000 0.890 376 Q CA 0.122 55.939 55.803 0.024 0.000 0.947 376 Q CB 0.530 29.276 28.738 0.013 0.000 1.081 376 Q HN 0.157 nan 8.270 nan 0.000 0.502 377 N N 0.635 119.383 118.700 0.080 0.000 2.782 377 N HA -0.155 4.589 4.740 0.006 0.000 0.251 377 N C -0.957 174.657 175.510 0.173 0.000 1.101 377 N CA 1.064 54.206 53.050 0.153 0.000 0.764 377 N CB -0.947 37.589 38.487 0.082 0.000 1.122 377 N HN 0.322 nan 8.380 nan 0.000 0.561 378 K N 0.449 120.908 120.400 0.098 0.000 2.144 378 K HA 0.535 4.859 4.320 0.006 0.000 0.270 378 K C 0.164 176.755 176.600 -0.015 0.000 1.005 378 K CA -0.478 55.853 56.287 0.073 0.000 0.932 378 K CB 1.639 34.170 32.500 0.053 0.000 1.021 378 K HN -0.158 nan 8.250 nan 0.000 0.462 379 V N 4.692 124.559 119.914 -0.079 0.000 2.398 379 V HA 0.280 4.403 4.120 0.006 0.000 0.286 379 V C 0.283 176.362 176.094 -0.025 0.000 1.026 379 V CA -0.976 61.185 62.300 -0.232 0.000 0.868 379 V CB 0.937 32.441 31.823 -0.532 0.000 0.982 379 V HN 0.666 nan 8.190 nan 0.000 0.443 380 I N 4.252 124.862 120.570 0.067 0.000 2.638 380 I HA 0.502 4.676 4.170 0.006 0.000 0.286 380 I C -2.125 174.056 176.117 0.107 0.000 1.088 380 I CA -1.724 59.669 61.300 0.155 0.000 1.397 380 I CB 1.157 39.300 38.000 0.238 0.000 1.414 380 I HN 0.383 nan 8.210 nan 0.000 0.566 381 P HA 0.076 nan 4.420 nan 0.000 0.276 381 P C -1.155 176.158 177.300 0.022 0.000 1.252 381 P CA -0.321 62.841 63.100 0.103 0.000 0.802 381 P CB 0.707 32.500 31.700 0.154 0.000 1.035 382 Q N 0.344 120.169 119.800 0.041 0.000 2.352 382 Q HA 0.317 4.660 4.340 0.006 0.000 0.260 382 Q C 0.453 176.430 176.000 -0.038 0.000 0.976 382 Q CA -0.323 55.480 55.803 0.000 0.000 0.881 382 Q CB 0.224 28.969 28.738 0.013 0.000 1.235 382 Q HN 0.598 nan 8.270 nan 0.000 0.419 383 G N 3.315 112.074 108.800 -0.069 0.000 2.365 383 G HA2 0.205 4.169 3.960 0.006 0.000 0.249 383 G HA3 0.205 4.169 3.960 0.006 0.000 0.249 383 G C -0.525 174.332 174.900 -0.070 0.000 1.288 383 G CA -0.306 44.752 45.100 -0.070 0.000 0.887 383 G HN 0.550 nan 8.290 nan 0.000 0.524 384 R N 0.313 120.754 120.500 -0.100 0.000 2.782 384 R HA 0.590 4.933 4.340 0.006 0.000 0.258 384 R C 0.424 176.410 176.300 -0.522 0.000 1.055 384 R CA -0.446 55.492 56.100 -0.270 0.000 1.065 384 R CB 1.374 31.508 30.300 -0.277 0.000 1.172 384 R HN 0.632 nan 8.270 nan 0.000 0.510 385 S N -0.029 115.327 115.700 -0.573 0.000 2.508 385 S HA 0.513 4.987 4.470 0.006 0.000 0.284 385 S C -0.864 173.263 174.600 -0.789 0.000 1.192 385 S CA -0.832 57.009 58.200 -0.599 0.000 1.070 385 S CB 0.776 63.768 63.200 -0.347 0.000 1.004 385 S HN 0.603 nan 8.310 nan 0.000 0.493 386 H N 1.081 119.952 119.070 -0.332 0.000 2.717 386 H HA 0.561 5.121 4.556 0.006 0.000 0.366 386 H C -2.596 172.562 175.328 -0.282 0.000 1.132 386 H CA -1.701 54.194 56.048 -0.255 0.000 1.180 386 H CB 1.223 30.825 29.762 -0.267 0.000 1.678 386 H HN 0.513 nan 8.280 nan 0.000 0.537 387 P HA 0.010 nan 4.420 nan 0.000 0.271 387 P C -0.231 177.039 177.300 -0.049 0.000 1.216 387 P CA -0.344 62.722 63.100 -0.057 0.000 0.771 387 P CB 0.888 32.582 31.700 -0.009 0.000 0.864 388 V N 4.251 124.125 119.914 -0.068 0.000 2.540 388 V HA -0.014 4.110 4.120 0.006 0.000 0.297 388 V C 0.792 176.917 176.094 0.052 0.000 1.024 388 V CA 0.624 62.912 62.300 -0.020 0.000 1.105 388 V CB -0.552 31.265 31.823 -0.009 0.000 0.938 388 V HN 0.553 nan 8.190 nan 0.000 0.482 389 Q N 5.254 125.123 119.800 0.116 0.000 2.356 389 Q HA 0.469 4.812 4.340 0.006 0.000 0.270 389 Q C -2.504 173.618 176.000 0.203 0.000 1.058 389 Q CA -1.765 54.119 55.803 0.136 0.000 0.802 389 Q CB 2.358 31.176 28.738 0.134 0.000 1.303 389 Q HN 0.550 nan 8.270 nan 0.000 0.444 390 P HA 0.060 nan 4.420 nan 0.000 0.271 390 P C -1.570 175.874 177.300 0.241 0.000 1.218 390 P CA 0.051 63.242 63.100 0.152 0.000 0.780 390 P CB 0.239 31.985 31.700 0.077 0.000 0.901 391 Y N -0.330 120.003 120.300 0.055 0.000 2.571 391 Y HA 0.720 5.273 4.550 0.006 0.000 0.341 391 Y C -2.836 173.097 175.900 0.054 0.000 1.076 391 Y CA -2.948 55.179 58.100 0.045 0.000 1.029 391 Y CB -0.371 38.108 38.460 0.032 0.000 1.308 391 Y HN 0.233 nan 8.280 nan 0.000 0.461 392 P HA 0.515 nan 4.420 nan 0.000 0.274 392 P C -0.275 177.034 177.300 0.014 0.000 1.231 392 P CA 0.026 63.143 63.100 0.028 0.000 0.790 392 P CB 1.750 33.507 31.700 0.095 0.000 0.951 393 G N -0.136 108.677 108.800 0.022 0.000 3.414 393 G HA2 0.584 4.547 3.960 0.006 0.000 0.189 393 G HA3 0.584 4.547 3.960 0.006 0.000 0.189 393 G C -0.584 174.423 174.900 0.178 0.000 1.329 393 G CA -0.140 45.017 45.100 0.094 0.000 0.851 393 G HN 0.733 nan 8.290 nan 0.000 0.671 394 A N -0.694 122.244 122.820 0.196 0.000 2.366 394 A HA 0.554 4.877 4.320 0.006 0.000 0.249 394 A C -0.825 176.889 177.584 0.216 0.000 1.084 394 A CA -0.318 51.856 52.037 0.229 0.000 0.794 394 A CB 0.238 19.344 19.000 0.177 0.000 1.034 394 A HN 0.720 nan 8.150 nan 0.000 0.491 395 F N 1.979 121.991 119.950 0.103 0.000 2.404 395 F HA 0.532 5.063 4.527 0.006 0.000 0.345 395 F C -0.391 175.439 175.800 0.049 0.000 1.110 395 F CA -0.382 57.664 58.000 0.076 0.000 1.130 395 F CB 1.113 40.160 39.000 0.078 0.000 1.129 395 F HN 0.272 nan 8.300 nan 0.000 0.500 396 V N 6.574 126.032 119.914 -0.760 0.000 2.448 396 V HA 0.316 4.440 4.120 0.006 0.000 0.295 396 V C -0.336 175.129 176.094 -1.047 0.000 1.025 396 V CA -1.215 60.698 62.300 -0.646 0.000 0.859 396 V CB 1.476 33.164 31.823 -0.225 0.000 0.988 396 V HN 0.731 nan 8.190 nan 0.000 0.431 397 K N 2.803 122.769 120.400 -0.724 0.000 2.205 397 K HA 0.343 4.666 4.320 0.006 0.000 0.279 397 K C -0.142 176.446 176.600 -0.020 0.000 1.027 397 K CA -0.494 55.586 56.287 -0.345 0.000 0.932 397 K CB 1.142 33.620 32.500 -0.037 0.000 1.032 397 K HN 0.749 nan 8.250 nan 0.000 0.466 398 E N 5.747 125.967 120.200 0.033 0.000 2.265 398 E HA 0.129 4.482 4.350 0.006 0.000 0.272 398 E C -2.226 174.445 176.600 0.119 0.000 1.067 398 E CA -1.789 54.671 56.400 0.101 0.000 0.900 398 E CB 0.661 30.405 29.700 0.074 0.000 1.017 398 E HN 0.314 nan 8.360 nan 0.000 0.431 399 P HA 0.209 nan 4.420 nan 0.000 0.281 399 P C -0.502 176.838 177.300 0.065 0.000 1.249 399 P CA -0.366 62.734 63.100 0.000 0.000 0.810 399 P CB 0.806 32.364 31.700 -0.236 0.000 1.008 400 I N 3.527 124.150 120.570 0.089 0.000 2.436 400 I HA 0.130 4.303 4.170 0.006 0.000 0.289 400 I C -1.901 174.347 176.117 0.218 0.000 1.083 400 I CA -1.950 59.433 61.300 0.139 0.000 1.372 400 I CB 0.060 38.138 38.000 0.131 0.000 1.408 400 I HN 0.140 nan 8.210 nan 0.000 0.516 401 P HA 0.106 nan 4.420 nan 0.000 0.263 401 P C -0.599 176.798 177.300 0.162 0.000 1.195 401 P CA 0.265 63.496 63.100 0.219 0.000 0.762 401 P CB 0.457 32.246 31.700 0.148 0.000 0.799 402 N N 1.241 120.065 118.700 0.206 0.000 3.951 402 N HA 0.119 4.863 4.740 0.006 0.000 0.222 402 N C -1.334 174.174 175.510 -0.003 0.000 1.352 402 N CA -0.841 52.181 53.050 -0.047 0.000 0.852 402 N CB 1.214 39.480 38.487 -0.369 0.000 1.444 402 N HN 0.269 nan 8.380 nan 0.000 0.473 403 R N 0.330 120.747 120.500 -0.137 0.000 2.531 403 R HA 0.535 4.878 4.340 0.006 0.000 0.273 403 R C -0.993 175.102 176.300 -0.342 0.000 1.070 403 R CA -0.052 56.038 56.100 -0.018 0.000 1.112 403 R CB 0.472 30.768 30.300 -0.007 0.000 1.049 403 R HN 0.488 nan 8.270 nan 0.000 0.508 404 Y N 0.452 120.873 120.300 0.202 0.000 2.331 404 Y HA 0.249 4.802 4.550 0.005 0.000 0.326 404 Y C 0.774 176.734 175.900 0.101 0.000 1.020 404 Y CA -0.917 57.278 58.100 0.158 0.000 1.136 404 Y CB 2.177 40.770 38.460 0.222 0.000 1.157 404 Y HN 0.693 nan 8.280 nan 0.000 0.444 405 K N 2.244 122.707 120.400 0.104 0.000 1.967 405 K HA 0.000 4.324 4.320 0.006 0.000 0.212 405 K C -0.616 175.819 176.600 -0.276 0.000 1.044 405 K CA 1.317 57.520 56.287 -0.138 0.000 0.942 405 K CB 0.068 32.436 32.500 -0.220 0.000 0.726 405 K HN 0.625 nan 8.250 nan 0.000 0.440 406 Y N 0.382 120.725 120.300 0.072 0.000 2.331 406 Y HA 0.344 4.897 4.550 0.005 0.000 0.338 406 Y C -0.812 175.192 175.900 0.174 0.000 0.976 406 Y CA -1.024 57.102 58.100 0.042 0.000 1.137 406 Y CB 1.890 40.283 38.460 -0.110 0.000 1.172 406 Y HN -0.240 nan 8.280 nan 0.000 0.478 407 V N 5.292 125.433 119.914 0.379 0.000 2.638 407 V HA 0.438 4.561 4.120 0.006 0.000 0.306 407 V C -0.461 175.839 176.094 0.344 0.000 1.052 407 V CA -0.972 61.548 62.300 0.367 0.000 0.885 407 V CB 2.011 34.090 31.823 0.427 0.000 0.999 407 V HN 0.786 nan 8.190 nan 0.000 0.424 408 M N 3.976 123.746 119.600 0.284 0.000 2.190 408 M HA 0.502 4.985 4.480 0.006 0.000 0.312 408 M C -0.155 176.163 176.300 0.029 0.000 0.990 408 M CA -0.300 55.086 55.300 0.143 0.000 0.927 408 M CB 2.221 34.919 32.600 0.164 0.000 1.571 408 M HN 0.812 nan 8.290 nan 0.000 0.427 409 S N 2.837 118.423 115.700 -0.191 0.000 2.565 409 S HA 0.812 5.285 4.470 0.006 0.000 0.290 409 S C -0.943 173.326 174.600 -0.551 0.000 1.150 409 S CA -0.586 57.363 58.200 -0.419 0.000 1.058 409 S CB 1.087 63.835 63.200 -0.754 0.000 1.032 409 S HN 0.461 nan 8.310 nan 0.000 0.510 410 F N 0.529 120.379 119.950 -0.166 0.000 2.563 410 F HA 0.631 5.161 4.527 0.006 0.000 0.316 410 F C -0.110 175.663 175.800 -0.044 0.000 1.076 410 F CA -0.670 57.301 58.000 -0.049 0.000 0.921 410 F CB 2.322 41.328 39.000 0.010 0.000 1.209 410 F HN 0.758 nan 8.300 nan 0.000 0.462 411 D N 1.771 122.277 120.400 0.177 0.000 2.964 411 D HA 0.460 5.104 4.640 0.006 0.000 0.234 411 D C -1.418 174.968 176.300 0.143 0.000 1.223 411 D CA -0.335 53.740 54.000 0.124 0.000 0.889 411 D CB 1.528 42.367 40.800 0.065 0.000 1.609 411 D HN 0.421 nan 8.370 nan 0.000 0.523 412 L N 2.779 124.078 121.223 0.127 0.000 2.410 412 L HA 0.272 4.616 4.340 0.006 0.000 0.273 412 L C 0.496 177.408 176.870 0.071 0.000 1.152 412 L CA 0.046 54.937 54.840 0.085 0.000 0.855 412 L CB 0.923 43.004 42.059 0.037 0.000 1.129 412 L HN 0.463 nan 8.230 nan 0.000 0.463 413 T N 2.120 116.726 114.554 0.087 0.000 2.853 413 T HA -0.003 4.350 4.350 0.006 0.000 0.298 413 T C 0.608 175.353 174.700 0.075 0.000 0.978 413 T CA -0.318 61.857 62.100 0.125 0.000 1.152 413 T CB 0.390 69.391 68.868 0.222 0.000 0.914 413 T HN 0.734 nan 8.240 nan 0.000 0.539 414 S N 2.278 118.047 115.700 0.116 0.000 3.245 414 S HA -0.152 4.322 4.470 0.006 0.000 0.306 414 S C 1.216 175.810 174.600 -0.010 0.000 0.878 414 S CA -0.180 58.072 58.200 0.085 0.000 1.354 414 S CB -1.070 62.261 63.200 0.219 0.000 0.969 414 S HN 0.665 nan 8.310 nan 0.000 0.493 415 L N 2.610 123.838 121.223 0.007 0.000 1.970 415 L HA -0.114 4.229 4.340 0.006 0.000 0.212 415 L C 1.950 178.898 176.870 0.130 0.000 1.071 415 L CA 2.103 56.968 54.840 0.041 0.000 0.751 415 L CB -0.691 41.424 42.059 0.093 0.000 0.889 415 L HN 0.612 nan 8.230 nan 0.000 0.432 416 Y N -0.027 120.233 120.300 -0.066 0.000 2.145 416 Y HA -0.088 4.466 4.550 0.006 0.000 0.286 416 Y C -0.110 175.694 175.900 -0.160 0.000 1.145 416 Y CA 0.939 58.986 58.100 -0.088 0.000 1.148 416 Y CB -2.492 35.943 38.460 -0.043 0.000 0.981 416 Y HN 0.314 nan 8.280 nan 0.000 0.507 417 P HA -0.094 nan 4.420 nan 0.000 0.218 417 P C 1.806 178.951 177.300 -0.259 0.000 1.149 417 P CA 2.117 65.142 63.100 -0.125 0.000 0.817 417 P CB 0.029 31.687 31.700 -0.070 0.000 0.785 418 S N -0.838 114.688 115.700 -0.291 0.000 2.402 418 S HA -0.071 4.402 4.470 0.006 0.000 0.229 418 S C 1.811 176.172 174.600 -0.398 0.000 1.021 418 S CA 0.942 58.904 58.200 -0.397 0.000 0.974 418 S CB -0.984 61.976 63.200 -0.399 0.000 0.800 418 S HN 0.133 nan 8.310 nan 0.000 0.484 419 I N 1.082 121.441 120.570 -0.352 0.000 2.315 419 I HA -0.131 4.042 4.170 0.006 0.000 0.248 419 I C 1.979 177.773 176.117 -0.539 0.000 1.117 419 I CA 0.963 61.946 61.300 -0.528 0.000 1.404 419 I CB -0.339 37.387 38.000 -0.457 0.000 1.071 419 I HN 0.223 nan 8.210 nan 0.000 0.419 420 I N 0.572 120.899 120.570 -0.406 0.000 2.163 420 I HA -0.323 3.850 4.170 0.006 0.000 0.243 420 I C 2.749 178.636 176.117 -0.382 0.000 1.085 420 I CA 1.642 62.707 61.300 -0.392 0.000 1.347 420 I CB -0.308 37.508 38.000 -0.307 0.000 1.044 420 I HN 0.148 nan 8.210 nan 0.000 0.408 421 R N 0.030 120.325 120.500 -0.342 0.000 2.062 421 R HA -0.206 4.137 4.340 0.006 0.000 0.231 421 R C 2.304 178.423 176.300 -0.301 0.000 1.136 421 R CA 1.562 57.487 56.100 -0.292 0.000 0.948 421 R CB -0.485 29.644 30.300 -0.285 0.000 0.845 421 R HN 0.402 nan 8.270 nan 0.000 0.430 422 Q N 0.818 120.397 119.800 -0.368 0.000 2.061 422 Q HA -0.151 4.192 4.340 0.006 0.000 0.204 422 Q C 1.816 177.611 176.000 -0.341 0.000 0.984 422 Q CA 1.952 57.544 55.803 -0.351 0.000 0.846 422 Q CB 0.088 28.573 28.738 -0.420 0.000 0.902 422 Q HN 0.180 nan 8.270 nan 0.000 0.421 423 V N 0.828 120.454 119.914 -0.481 0.000 2.951 423 V HA -0.067 4.057 4.120 0.006 0.000 0.255 423 V C 0.616 176.484 176.094 -0.378 0.000 1.088 423 V CA 0.948 62.982 62.300 -0.443 0.000 1.109 423 V CB -0.789 30.659 31.823 -0.626 0.000 0.724 423 V HN 0.711 nan 8.190 nan 0.000 0.471 424 N N -0.237 118.224 118.700 -0.399 0.000 2.816 424 N HA -0.194 4.550 4.740 0.006 0.000 0.247 424 N C -0.448 174.708 175.510 -0.591 0.000 1.100 424 N CA 0.239 53.083 53.050 -0.344 0.000 0.687 424 N CB -1.632 36.766 38.487 -0.147 0.000 1.003 424 N HN 0.526 nan 8.380 nan 0.000 0.554 425 I N 0.587 120.697 120.570 -0.767 0.000 2.505 425 I HA 0.196 4.370 4.170 0.006 0.000 0.287 425 I C 0.717 176.551 176.117 -0.472 0.000 1.104 425 I CA 0.390 61.133 61.300 -0.930 0.000 1.387 425 I CB 0.764 38.321 38.000 -0.739 0.000 1.404 425 I HN 0.297 nan 8.210 nan 0.000 0.528 426 S N 7.453 122.961 115.700 -0.321 0.000 2.552 426 S HA 0.403 4.876 4.470 0.006 0.000 0.272 426 S C -2.084 172.471 174.600 -0.075 0.000 1.150 426 S CA -1.044 57.048 58.200 -0.180 0.000 0.849 426 S CB 1.766 64.865 63.200 -0.169 0.000 1.113 426 S HN 0.290 nan 8.310 nan 0.000 0.458 427 P HA -0.147 nan 4.420 nan 0.000 0.216 427 P C 0.882 178.184 177.300 0.004 0.000 1.153 427 P CA 1.471 64.565 63.100 -0.010 0.000 0.858 427 P CB -0.047 31.636 31.700 -0.027 0.000 0.789 428 E N 0.020 120.161 120.200 -0.099 0.000 2.463 428 E HA 0.001 4.354 4.350 0.006 0.000 0.193 428 E C 0.739 177.385 176.600 0.076 0.000 1.041 428 E CA 0.689 57.038 56.400 -0.084 0.000 0.879 428 E CB -1.010 28.555 29.700 -0.225 0.000 0.997 428 E HN 0.274 nan 8.360 nan 0.000 0.478 429 T N -1.296 113.274 114.554 0.027 0.000 3.069 429 T HA 0.343 4.697 4.350 0.006 0.000 0.252 429 T C 0.966 175.456 174.700 -0.351 0.000 1.053 429 T CA -0.468 61.620 62.100 -0.021 0.000 0.964 429 T CB -0.396 68.507 68.868 0.058 0.000 1.005 429 T HN 0.025 nan 8.240 nan 0.000 0.532 430 I N 2.209 122.620 120.570 -0.265 0.000 2.587 430 I HA 0.263 4.437 4.170 0.006 0.000 0.284 430 I C 1.438 177.077 176.117 -0.796 0.000 1.134 430 I CA -0.322 60.697 61.300 -0.468 0.000 1.410 430 I CB 0.840 38.692 38.000 -0.246 0.000 1.392 430 I HN 0.283 nan 8.210 nan 0.000 0.545 431 A N 4.972 127.211 122.820 -0.968 0.000 2.197 431 A HA 0.621 4.944 4.320 0.006 0.000 0.210 431 A C 1.002 178.208 177.584 -0.630 0.000 1.180 431 A CA 0.673 52.101 52.037 -1.014 0.000 0.846 431 A CB 0.127 18.204 19.000 -1.538 0.000 0.884 431 A HN 0.930 nan 8.150 nan 0.000 0.487 432 G N -1.566 106.928 108.800 -0.508 0.000 2.332 432 G HA2 0.435 4.398 3.960 0.006 0.000 0.265 432 G HA3 0.435 4.398 3.960 0.006 0.000 0.265 432 G C -0.365 174.372 174.900 -0.272 0.000 1.329 432 G CA 0.208 45.125 45.100 -0.305 0.000 0.949 432 G HN 1.142 nan 8.290 nan 0.000 0.476 433 T N -1.761 112.699 114.554 -0.157 0.000 2.901 433 T HA 0.858 5.212 4.350 0.006 0.000 0.293 433 T C -0.689 174.012 174.700 0.002 0.000 1.084 433 T CA -0.172 61.833 62.100 -0.159 0.000 1.008 433 T CB 2.117 70.863 68.868 -0.204 0.000 1.170 433 T HN 1.887 nan 8.240 nan 0.000 0.509 434 F N -1.182 118.731 119.950 -0.063 0.000 2.588 434 F HA 0.712 5.242 4.527 0.006 0.000 0.314 434 F C -0.240 175.560 175.800 0.001 0.000 1.069 434 F CA -1.526 56.463 58.000 -0.018 0.000 0.931 434 F CB 1.491 40.489 39.000 -0.005 0.000 1.260 434 F HN 0.496 nan 8.300 nan 0.000 0.465 435 K N 2.575 123.090 120.400 0.191 0.000 2.419 435 K HA 0.234 4.557 4.320 0.006 0.000 0.282 435 K C -0.723 176.006 176.600 0.216 0.000 1.056 435 K CA -0.092 56.266 56.287 0.118 0.000 1.035 435 K CB 0.811 33.386 32.500 0.124 0.000 0.921 435 K HN 0.558 nan 8.250 nan 0.000 0.472 436 V N 3.261 123.206 119.914 0.050 0.000 2.583 436 V HA 0.196 4.319 4.120 0.006 0.000 0.287 436 V C 0.538 176.757 176.094 0.208 0.000 1.051 436 V CA -0.467 61.923 62.300 0.150 0.000 1.010 436 V CB 1.263 33.068 31.823 -0.031 0.000 0.988 436 V HN 0.842 nan 8.190 nan 0.000 0.478 437 A N 6.879 129.879 122.820 0.300 0.000 2.269 437 A HA 0.806 5.130 4.320 0.006 0.000 0.319 437 A C -2.514 175.117 177.584 0.079 0.000 1.110 437 A CA -1.878 50.183 52.037 0.040 0.000 0.847 437 A CB 0.306 19.139 19.000 -0.278 0.000 1.161 437 A HN 0.699 nan 8.150 nan 0.000 0.497 438 P HA 0.028 nan 4.420 nan 0.000 0.264 438 P C 0.995 178.364 177.300 0.115 0.000 1.183 438 P CA -0.197 62.952 63.100 0.082 0.000 0.763 438 P CB 0.390 32.134 31.700 0.073 0.000 0.807 439 L N 4.225 125.574 121.223 0.209 0.000 2.034 439 L HA -0.288 4.055 4.340 0.006 0.000 0.217 439 L C 2.282 179.279 176.870 0.212 0.000 1.077 439 L CA 2.019 57.023 54.840 0.274 0.000 0.769 439 L CB -1.206 40.959 42.059 0.177 0.000 0.890 439 L HN 0.578 nan 8.230 nan 0.000 0.435 440 H N -0.927 118.174 119.070 0.052 0.000 2.394 440 H HA -0.212 4.347 4.556 0.006 0.000 0.297 440 H C 1.571 176.903 175.328 0.006 0.000 1.113 440 H CA 2.120 58.176 56.048 0.014 0.000 1.277 440 H CB 0.015 29.774 29.762 -0.004 0.000 1.370 440 H HN 0.465 nan 8.280 nan 0.000 0.506 441 D N -0.139 120.188 120.400 -0.123 0.000 2.178 441 D HA -0.119 4.524 4.640 0.006 0.000 0.202 441 D C 1.969 178.175 176.300 -0.157 0.000 0.974 441 D CA 0.937 54.796 54.000 -0.234 0.000 0.841 441 D CB -0.503 40.136 40.800 -0.270 0.000 0.953 441 D HN 0.495 nan 8.370 nan 0.000 0.478 442 Y N 0.641 121.022 120.300 0.135 0.000 2.220 442 Y HA 0.037 4.591 4.550 0.006 0.000 0.291 442 Y C 2.357 178.481 175.900 0.373 0.000 1.129 442 Y CA 0.208 58.479 58.100 0.285 0.000 1.161 442 Y CB -0.557 37.975 38.460 0.119 0.000 0.997 442 Y HN -0.059 nan 8.280 nan 0.000 0.522 443 I N 0.327 121.085 120.570 0.314 0.000 2.208 443 I HA -0.344 3.830 4.170 0.006 0.000 0.245 443 I C 1.130 177.245 176.117 -0.003 0.000 1.097 443 I CA 1.554 62.980 61.300 0.210 0.000 1.363 443 I CB -0.317 37.707 38.000 0.040 0.000 1.051 443 I HN 0.267 nan 8.210 nan 0.000 0.413 444 N N 0.864 119.485 118.700 -0.131 0.000 2.270 444 N HA 0.239 4.982 4.740 0.006 0.000 0.198 444 N C 0.765 176.151 175.510 -0.206 0.000 1.117 444 N CA 0.776 53.672 53.050 -0.255 0.000 0.845 444 N CB 0.643 38.928 38.487 -0.336 0.000 0.980 444 N HN 0.273 nan 8.380 nan 0.000 0.486 445 A N -0.249 122.555 122.820 -0.028 0.000 2.822 445 A HA -0.179 4.145 4.320 0.006 0.000 0.287 445 A C 1.117 178.624 177.584 -0.128 0.000 1.479 445 A CA 0.855 52.830 52.037 -0.103 0.000 0.779 445 A CB -2.048 16.778 19.000 -0.290 0.000 1.022 445 A HN 0.143 nan 8.150 nan 0.000 0.532 446 V N -1.111 118.775 119.914 -0.047 0.000 3.523 446 V HA 0.366 4.489 4.120 0.006 0.000 0.255 446 V C 1.635 177.715 176.094 -0.023 0.000 1.226 446 V CA 1.023 63.284 62.300 -0.065 0.000 1.092 446 V CB 0.253 32.013 31.823 -0.104 0.000 0.817 446 V HN 1.385 nan 8.190 nan 0.000 0.458 447 A N 1.220 124.034 122.820 -0.010 0.000 2.386 447 A HA 0.351 4.675 4.320 0.006 0.000 0.248 447 A C 0.490 178.165 177.584 0.151 0.000 1.082 447 A CA -0.301 51.699 52.037 -0.063 0.000 0.789 447 A CB 0.012 18.690 19.000 -0.536 0.000 1.025 447 A HN 0.641 nan 8.150 nan 0.000 0.490 448 E N 1.232 121.492 120.200 0.100 0.000 2.415 448 E HA 0.169 4.522 4.350 0.006 0.000 0.262 448 E C 0.036 176.742 176.600 0.177 0.000 1.038 448 E CA -0.514 55.966 56.400 0.133 0.000 0.921 448 E CB 0.477 30.223 29.700 0.076 0.000 0.950 448 E HN 0.535 nan 8.360 nan 0.000 0.438 449 R N 3.397 124.001 120.500 0.173 0.000 2.446 449 R HA 0.009 4.352 4.340 0.006 0.000 0.314 449 R C -1.406 174.814 176.300 -0.134 0.000 1.003 449 R CA -1.018 55.128 56.100 0.076 0.000 1.018 449 R CB 0.396 30.761 30.300 0.109 0.000 0.945 449 R HN 0.552 nan 8.270 nan 0.000 0.419 450 P HA -0.134 nan 4.420 nan 0.000 0.215 450 P C -0.090 176.898 177.300 -0.520 0.000 1.157 450 P CA 1.087 63.679 63.100 -0.847 0.000 0.874 450 P CB 0.266 30.930 31.700 -1.727 0.000 0.790 451 S N -1.862 113.636 115.700 -0.336 0.000 2.541 451 S HA 0.303 4.777 4.470 0.006 0.000 0.271 451 S C -0.301 174.234 174.600 -0.108 0.000 1.133 451 S CA -0.627 57.481 58.200 -0.153 0.000 0.876 451 S CB 1.240 64.403 63.200 -0.063 0.000 1.105 451 S HN -0.198 nan 8.310 nan 0.000 0.470 452 D N 2.220 122.564 120.400 -0.094 0.000 2.369 452 D HA 0.143 4.786 4.640 0.006 0.000 0.211 452 D C 1.095 177.316 176.300 -0.133 0.000 1.077 452 D CA 0.598 54.545 54.000 -0.087 0.000 0.842 452 D CB 1.128 41.887 40.800 -0.067 0.000 0.947 452 D HN 0.307 nan 8.370 nan 0.000 0.509 453 V N -1.349 118.434 119.914 -0.217 0.000 3.251 453 V HA 0.221 4.344 4.120 0.006 0.000 0.239 453 V C -0.484 175.368 176.094 -0.404 0.000 1.332 453 V CA 0.134 62.201 62.300 -0.389 0.000 1.224 453 V CB 0.294 31.766 31.823 -0.585 0.000 1.004 453 V HN -0.205 nan 8.190 nan 0.000 0.464 454 Y N 1.175 121.482 120.300 0.012 0.000 2.568 454 Y HA 0.723 5.276 4.550 0.006 0.000 0.327 454 Y C 0.618 176.524 175.900 0.008 0.000 1.163 454 Y CA -0.585 57.532 58.100 0.028 0.000 1.219 454 Y CB 1.353 39.824 38.460 0.017 0.000 1.308 454 Y HN 0.078 nan 8.280 nan 0.000 0.503 455 S N 0.844 116.685 115.700 0.236 0.000 2.452 455 S HA 0.554 5.028 4.470 0.006 0.000 0.284 455 S C -0.869 173.842 174.600 0.186 0.000 1.171 455 S CA -0.477 57.811 58.200 0.145 0.000 1.064 455 S CB -0.535 62.732 63.200 0.112 0.000 0.967 455 S HN 0.653 nan 8.310 nan 0.000 0.484 456 C N 3.362 122.728 119.300 0.111 0.000 2.470 456 C HA 0.853 5.317 4.460 0.006 0.000 0.341 456 C C 0.467 175.587 174.990 0.216 0.000 1.190 456 C CA -0.745 58.362 59.018 0.149 0.000 1.904 456 C CB 1.321 29.018 27.740 -0.071 0.000 2.354 456 C HN 0.862 nan 8.230 nan 0.000 0.509 457 S N 1.271 117.144 115.700 0.288 0.000 2.513 457 S HA 0.548 5.022 4.470 0.006 0.000 0.299 457 S C -1.929 172.759 174.600 0.146 0.000 1.087 457 S CA -1.164 57.202 58.200 0.277 0.000 1.012 457 S CB 1.667 65.010 63.200 0.239 0.000 1.044 457 S HN 0.636 nan 8.310 nan 0.000 0.485 458 P HA -0.058 nan 4.420 nan 0.000 0.236 458 P C 0.684 177.921 177.300 -0.106 0.000 1.172 458 P CA 0.602 63.543 63.100 -0.265 0.000 0.759 458 P CB -0.324 31.147 31.700 -0.382 0.000 0.843 459 N N 0.035 118.690 118.700 -0.075 0.000 2.515 459 N HA -0.035 4.709 4.740 0.006 0.000 0.185 459 N C 1.323 176.660 175.510 -0.288 0.000 1.109 459 N CA 1.213 54.196 53.050 -0.112 0.000 0.903 459 N CB -0.726 37.725 38.487 -0.059 0.000 0.969 459 N HN 0.205 nan 8.380 nan 0.000 0.450 460 G N -0.455 108.015 108.800 -0.549 0.000 2.184 460 G HA2 -0.173 3.791 3.960 0.006 0.000 0.206 460 G HA3 -0.173 3.791 3.960 0.006 0.000 0.206 460 G C -0.191 174.235 174.900 -0.790 0.000 0.995 460 G CA -0.056 44.328 45.100 -1.194 0.000 0.651 460 G HN 0.195 nan 8.290 nan 0.000 0.511 461 M N 1.017 120.414 119.600 -0.337 0.000 2.233 461 M HA 0.636 5.119 4.480 0.006 0.000 0.355 461 M C 0.563 176.699 176.300 -0.273 0.000 1.191 461 M CA 0.116 55.215 55.300 -0.336 0.000 1.101 461 M CB 0.981 33.388 32.600 -0.321 0.000 1.592 461 M HN 0.197 nan 8.290 nan 0.000 0.461 462 M N 2.937 122.247 119.600 -0.483 0.000 2.508 462 M HA 0.532 5.015 4.480 0.006 0.000 0.327 462 M C -1.496 174.314 176.300 -0.817 0.000 1.160 462 M CA -0.568 54.509 55.300 -0.372 0.000 0.980 462 M CB 1.875 34.408 32.600 -0.112 0.000 1.693 462 M HN 0.458 nan 8.290 nan 0.000 0.452 463 Y N -0.358 119.846 120.300 -0.161 0.000 2.545 463 Y HA 0.467 5.020 4.550 0.006 0.000 0.348 463 Y C -0.678 175.169 175.900 -0.087 0.000 1.002 463 Y CA -0.950 56.994 58.100 -0.259 0.000 1.039 463 Y CB 1.337 39.690 38.460 -0.180 0.000 1.271 463 Y HN 0.472 nan 8.280 nan 0.000 0.467 464 Y N 1.411 121.791 120.300 0.134 0.000 2.578 464 Y HA 0.025 4.578 4.550 0.006 0.000 0.339 464 Y C 1.072 177.064 175.900 0.153 0.000 1.231 464 Y CA 0.105 58.309 58.100 0.173 0.000 1.461 464 Y CB 0.703 39.220 38.460 0.095 0.000 1.323 464 Y HN 0.560 nan 8.280 nan 0.000 0.590 465 K N 0.624 121.219 120.400 0.324 0.000 2.402 465 K HA -0.035 4.289 4.320 0.006 0.000 0.203 465 K C 0.841 177.501 176.600 0.100 0.000 1.077 465 K CA 0.362 56.747 56.287 0.163 0.000 1.051 465 K CB 0.340 32.913 32.500 0.121 0.000 0.907 465 K HN 0.720 nan 8.250 nan 0.000 0.554 466 D N 2.029 122.489 120.400 0.101 0.000 2.183 466 D HA -0.136 4.508 4.640 0.006 0.000 0.203 466 D C 0.574 176.888 176.300 0.023 0.000 0.969 466 D CA 0.834 54.855 54.000 0.035 0.000 0.842 466 D CB 0.131 40.926 40.800 -0.007 0.000 0.957 466 D HN 0.196 nan 8.370 nan 0.000 0.484 467 R N -0.701 119.824 120.500 0.042 0.000 2.680 467 R HA 0.411 4.754 4.340 0.006 0.000 0.269 467 R C -1.539 174.782 176.300 0.034 0.000 1.026 467 R CA -0.859 55.255 56.100 0.024 0.000 0.889 467 R CB 0.878 31.180 30.300 0.003 0.000 1.241 467 R HN -0.359 nan 8.270 nan 0.000 0.463 468 D N 1.201 121.605 120.400 0.007 0.000 2.414 468 D HA 0.207 4.851 4.640 0.006 0.000 0.242 468 D C 0.394 176.684 176.300 -0.018 0.000 1.129 468 D CA 0.586 54.578 54.000 -0.014 0.000 0.885 468 D CB 1.288 42.074 40.800 -0.024 0.000 1.198 468 D HN 0.668 nan 8.370 nan 0.000 0.437 469 G N 0.326 109.100 108.800 -0.043 0.000 2.572 469 G HA2 0.161 4.124 3.960 0.006 0.000 0.261 469 G HA3 0.161 4.124 3.960 0.006 0.000 0.261 469 G C 1.173 176.026 174.900 -0.079 0.000 1.197 469 G CA -0.612 44.450 45.100 -0.064 0.000 0.870 469 G HN 0.374 nan 8.290 nan 0.000 0.548 470 V N 1.168 121.022 119.914 -0.100 0.000 2.490 470 V HA -0.147 3.977 4.120 0.006 0.000 0.250 470 V C 2.732 178.773 176.094 -0.088 0.000 1.061 470 V CA 2.061 64.308 62.300 -0.088 0.000 1.064 470 V CB -0.335 31.418 31.823 -0.117 0.000 0.670 470 V HN 0.453 nan 8.190 nan 0.000 0.461 471 V N 0.682 120.506 119.914 -0.150 0.000 2.244 471 V HA -0.094 4.030 4.120 0.006 0.000 0.244 471 V C 0.281 176.285 176.094 -0.149 0.000 1.042 471 V CA 2.571 64.767 62.300 -0.173 0.000 1.006 471 V CB -1.927 29.763 31.823 -0.221 0.000 0.641 471 V HN 0.492 nan 8.190 nan 0.000 0.446 472 P HA -0.165 nan 4.420 nan 0.000 0.216 472 P C 1.818 179.083 177.300 -0.058 0.000 1.157 472 P CA 2.019 65.038 63.100 -0.135 0.000 0.880 472 P CB -0.256 31.355 31.700 -0.149 0.000 0.791 473 T N -0.501 114.035 114.554 -0.029 0.000 2.746 473 T HA -0.130 4.224 4.350 0.006 0.000 0.267 473 T C 1.539 176.292 174.700 0.089 0.000 1.039 473 T CA 1.271 63.385 62.100 0.023 0.000 1.142 473 T CB -0.492 68.386 68.868 0.018 0.000 0.866 473 T HN 0.195 nan 8.240 nan 0.000 0.444 474 E N 0.442 120.714 120.200 0.121 0.000 2.140 474 E HA 0.180 4.534 4.350 0.006 0.000 0.191 474 E C 2.189 179.005 176.600 0.360 0.000 0.973 474 E CA 0.186 56.749 56.400 0.271 0.000 0.829 474 E CB -0.305 29.611 29.700 0.361 0.000 0.781 474 E HN 0.434 nan 8.360 nan 0.000 0.466 475 I N 1.414 122.087 120.570 0.172 0.000 2.361 475 I HA -0.255 3.919 4.170 0.006 0.000 0.251 475 I C 1.842 178.081 176.117 0.203 0.000 1.133 475 I CA 1.140 62.523 61.300 0.140 0.000 1.413 475 I CB 0.060 37.992 38.000 -0.113 0.000 1.073 475 I HN 0.057 nan 8.210 nan 0.000 0.424 476 T N 0.470 115.112 114.554 0.147 0.000 2.746 476 T HA -0.200 4.154 4.350 0.006 0.000 0.267 476 T C 1.847 176.702 174.700 0.259 0.000 1.039 476 T CA 1.368 63.578 62.100 0.182 0.000 1.142 476 T CB -0.113 68.815 68.868 0.099 0.000 0.866 476 T HN 0.322 nan 8.240 nan 0.000 0.444 477 K N 0.534 121.076 120.400 0.235 0.000 2.026 477 K HA -0.037 4.287 4.320 0.006 0.000 0.208 477 K C 2.301 179.005 176.600 0.172 0.000 1.048 477 K CA 1.016 57.436 56.287 0.223 0.000 0.929 477 K CB -0.365 32.309 32.500 0.291 0.000 0.713 477 K HN 0.136 nan 8.250 nan 0.000 0.439 478 V N 0.988 121.025 119.914 0.204 0.000 2.548 478 V HA -0.200 3.923 4.120 0.006 0.000 0.249 478 V C 1.895 178.065 176.094 0.127 0.000 1.055 478 V CA 1.386 63.740 62.300 0.090 0.000 1.065 478 V CB -0.550 31.365 31.823 0.153 0.000 0.681 478 V HN 0.236 nan 8.190 nan 0.000 0.462 479 F N 2.235 122.233 119.950 0.079 0.000 2.095 479 F HA -0.195 4.336 4.527 0.006 0.000 0.298 479 F C 2.279 178.092 175.800 0.022 0.000 1.104 479 F CA 1.981 60.008 58.000 0.046 0.000 1.232 479 F CB -0.421 38.601 39.000 0.037 0.000 0.987 479 F HN 0.164 nan 8.300 nan 0.000 0.475 480 N N 0.586 119.238 118.700 -0.079 0.000 2.166 480 N HA -0.185 4.558 4.740 0.006 0.000 0.186 480 N C 1.819 177.197 175.510 -0.220 0.000 1.019 480 N CA 1.641 54.573 53.050 -0.197 0.000 0.856 480 N CB -0.565 37.931 38.487 0.015 0.000 0.993 480 N HN 0.552 nan 8.380 nan 0.000 0.426 481 Q N 0.266 119.994 119.800 -0.120 0.000 2.084 481 Q HA -0.086 4.258 4.340 0.006 0.000 0.202 481 Q C 2.149 178.114 176.000 -0.058 0.000 0.978 481 Q CA 0.913 56.669 55.803 -0.078 0.000 0.844 481 Q CB -0.076 28.640 28.738 -0.036 0.000 0.898 481 Q HN 0.225 nan 8.270 nan 0.000 0.426 482 R N 1.751 122.176 120.500 -0.126 0.000 2.091 482 R HA -0.174 4.170 4.340 0.006 0.000 0.238 482 R C 1.931 178.091 176.300 -0.232 0.000 1.136 482 R CA 1.796 57.820 56.100 -0.127 0.000 0.959 482 R CB -0.198 30.029 30.300 -0.123 0.000 0.856 482 R HN 0.124 nan 8.270 nan 0.000 0.437 483 K N 0.607 120.743 120.400 -0.440 0.000 2.097 483 K HA -0.166 4.157 4.320 0.006 0.000 0.206 483 K C 2.060 178.430 176.600 -0.383 0.000 1.049 483 K CA 1.701 57.721 56.287 -0.446 0.000 0.933 483 K CB -0.108 32.025 32.500 -0.611 0.000 0.717 483 K HN 0.259 nan 8.250 nan 0.000 0.442 484 E N -0.207 119.743 120.200 -0.417 0.000 2.031 484 E HA -0.234 4.120 4.350 0.006 0.000 0.193 484 E C 1.855 177.901 176.600 -0.923 0.000 0.994 484 E CA 1.299 57.326 56.400 -0.621 0.000 0.800 484 E CB -0.019 29.347 29.700 -0.557 0.000 0.752 484 E HN 0.507 nan 8.360 nan 0.000 0.447 485 H N -0.031 118.755 119.070 -0.474 0.000 2.423 485 H HA -0.049 4.510 4.556 0.006 0.000 0.297 485 H C 2.126 177.299 175.328 -0.258 0.000 1.075 485 H CA 1.151 57.014 56.048 -0.309 0.000 1.342 485 H CB 0.036 29.737 29.762 -0.102 0.000 1.395 485 H HN 0.148 nan 8.280 nan 0.000 0.530 486 K N 0.814 121.123 120.400 -0.152 0.000 2.097 486 K HA -0.091 4.232 4.320 0.006 0.000 0.205 486 K C 2.399 178.893 176.600 -0.177 0.000 1.050 486 K CA 0.999 57.206 56.287 -0.133 0.000 0.938 486 K CB -0.133 32.290 32.500 -0.128 0.000 0.718 486 K HN 0.229 nan 8.250 nan 0.000 0.442 487 G N 0.312 108.932 108.800 -0.299 0.000 2.459 487 G HA2 -0.260 3.704 3.960 0.006 0.000 0.217 487 G HA3 -0.260 3.704 3.960 0.006 0.000 0.217 487 G C 1.086 175.848 174.900 -0.229 0.000 1.183 487 G CA 1.008 45.932 45.100 -0.294 0.000 0.776 487 G HN 0.281 nan 8.290 nan 0.000 0.552 488 Y N 0.012 120.171 120.300 -0.234 0.000 2.207 488 Y HA -0.020 4.533 4.550 0.005 0.000 0.287 488 Y C 2.779 178.569 175.900 -0.184 0.000 1.156 488 Y CA 0.766 58.694 58.100 -0.287 0.000 1.182 488 Y CB -0.833 37.469 38.460 -0.264 0.000 0.979 488 Y HN 0.191 nan 8.280 nan 0.000 0.521 489 M N -0.640 118.966 119.600 0.010 0.000 2.099 489 M HA -0.177 4.306 4.480 0.006 0.000 0.262 489 M C 1.870 178.142 176.300 -0.047 0.000 1.067 489 M CA 1.802 57.092 55.300 -0.017 0.000 1.124 489 M CB -0.329 32.260 32.600 -0.019 0.000 1.353 489 M HN 0.308 nan 8.290 nan 0.000 0.410 490 L N -0.022 121.162 121.223 -0.066 0.000 2.156 490 L HA -0.098 4.245 4.340 0.006 0.000 0.208 490 L C 2.726 179.546 176.870 -0.084 0.000 1.095 490 L CA 0.891 55.689 54.840 -0.070 0.000 0.770 490 L CB -0.810 41.205 42.059 -0.074 0.000 0.914 490 L HN 0.396 nan 8.230 nan 0.000 0.439 491 A N 0.137 122.900 122.820 -0.096 0.000 1.898 491 A HA -0.155 4.169 4.320 0.006 0.000 0.216 491 A C 2.538 180.032 177.584 -0.149 0.000 1.181 491 A CA 1.615 53.580 52.037 -0.121 0.000 0.620 491 A CB -0.652 18.271 19.000 -0.128 0.000 0.819 491 A HN 0.379 nan 8.150 nan 0.000 0.442 492 A N -0.846 121.908 122.820 -0.111 0.000 1.940 492 A HA -0.243 4.081 4.320 0.006 0.000 0.219 492 A C 2.198 179.731 177.584 -0.085 0.000 1.176 492 A CA 1.863 53.849 52.037 -0.085 0.000 0.631 492 A CB -0.594 18.373 19.000 -0.054 0.000 0.814 492 A HN 0.668 nan 8.150 nan 0.000 0.446 493 Q N -0.627 119.131 119.800 -0.071 0.000 2.050 493 Q HA -0.185 4.159 4.340 0.006 0.000 0.202 493 Q C 2.363 178.332 176.000 -0.052 0.000 0.980 493 Q CA 1.541 57.318 55.803 -0.044 0.000 0.840 493 Q CB -0.105 28.616 28.738 -0.029 0.000 0.898 493 Q HN 0.666 nan 8.270 nan 0.000 0.424 494 R N -0.017 120.430 120.500 -0.089 0.000 2.081 494 R HA -0.080 4.264 4.340 0.006 0.000 0.235 494 R C 1.987 178.222 176.300 -0.110 0.000 1.131 494 R CA 1.312 57.354 56.100 -0.097 0.000 0.960 494 R CB -0.190 30.045 30.300 -0.107 0.000 0.856 494 R HN 0.337 nan 8.270 nan 0.000 0.436 495 N N 0.090 118.659 118.700 -0.217 0.000 2.223 495 N HA -0.100 4.644 4.740 0.006 0.000 0.185 495 N C 1.748 177.251 175.510 -0.013 0.000 1.016 495 N CA 1.392 54.221 53.050 -0.367 0.000 0.863 495 N CB -0.458 37.494 38.487 -0.892 0.000 0.983 495 N HN 0.326 nan 8.380 nan 0.000 0.429 496 G N 1.200 110.001 108.800 0.002 0.000 2.422 496 G HA2 -0.185 3.779 3.960 0.006 0.000 0.218 496 G HA3 -0.185 3.779 3.960 0.006 0.000 0.218 496 G C 1.444 176.382 174.900 0.063 0.000 1.140 496 G CA 0.430 45.561 45.100 0.052 0.000 0.775 496 G HN 0.217 nan 8.290 nan 0.000 0.545 497 E N 0.452 120.681 120.200 0.049 0.000 2.152 497 E HA -0.002 4.351 4.350 0.006 0.000 0.192 497 E C 2.549 179.187 176.600 0.063 0.000 0.983 497 E CA 0.284 56.721 56.400 0.062 0.000 0.818 497 E CB -0.112 29.618 29.700 0.050 0.000 0.758 497 E HN 0.540 nan 8.360 nan 0.000 0.467 498 I N 0.654 121.277 120.570 0.087 0.000 2.315 498 I HA -0.229 3.944 4.170 0.006 0.000 0.248 498 I C 2.271 178.456 176.117 0.112 0.000 1.117 498 I CA 0.841 62.214 61.300 0.122 0.000 1.404 498 I CB -0.240 37.889 38.000 0.215 0.000 1.071 498 I HN 0.017 nan 8.210 nan 0.000 0.419 499 I N 0.655 121.311 120.570 0.144 0.000 2.252 499 I HA -0.248 3.925 4.170 0.006 0.000 0.245 499 I C 2.435 178.554 176.117 0.004 0.000 1.102 499 I CA 1.366 62.727 61.300 0.103 0.000 1.385 499 I CB -0.410 37.685 38.000 0.158 0.000 1.064 499 I HN 0.107 nan 8.210 nan 0.000 0.414 500 K N 0.595 120.986 120.400 -0.015 0.000 2.097 500 K HA -0.172 4.152 4.320 0.006 0.000 0.206 500 K C 2.040 178.438 176.600 -0.337 0.000 1.049 500 K CA 1.172 57.395 56.287 -0.107 0.000 0.933 500 K CB -0.146 32.334 32.500 -0.034 0.000 0.717 500 K HN 0.322 nan 8.250 nan 0.000 0.442 501 E N 0.679 120.747 120.200 -0.220 0.000 2.051 501 E HA -0.161 4.193 4.350 0.006 0.000 0.192 501 E C 2.083 178.541 176.600 -0.237 0.000 0.991 501 E CA 1.203 57.451 56.400 -0.253 0.000 0.799 501 E CB -0.157 29.554 29.700 0.018 0.000 0.748 501 E HN 0.310 nan 8.360 nan 0.000 0.449 502 A N 1.070 123.830 122.820 -0.100 0.000 2.067 502 A HA -0.076 4.247 4.320 0.006 0.000 0.219 502 A C 2.257 179.809 177.584 -0.053 0.000 1.158 502 A CA 0.645 52.660 52.037 -0.035 0.000 0.661 502 A CB -0.561 18.440 19.000 0.002 0.000 0.801 502 A HN 0.145 nan 8.150 nan 0.000 0.452 503 L N -0.733 120.415 121.223 -0.125 0.000 2.362 503 L HA -0.140 4.203 4.340 0.006 0.000 0.219 503 L C 2.076 178.929 176.870 -0.028 0.000 1.134 503 L CA 0.525 55.315 54.840 -0.083 0.000 0.807 503 L CB -0.500 41.507 42.059 -0.087 0.000 0.927 503 L HN 0.447 nan 8.230 nan 0.000 0.447 504 H N -0.426 118.668 119.070 0.040 0.000 2.491 504 H HA 0.066 4.625 4.556 0.004 0.000 0.290 504 H C 0.450 175.797 175.328 0.030 0.000 1.050 504 H CA 0.692 56.761 56.048 0.036 0.000 1.309 504 H CB -0.037 29.749 29.762 0.040 0.000 1.392 504 H HN 0.319 nan 8.280 nan 0.000 0.554 505 N N 1.071 119.844 118.700 0.121 0.000 2.725 505 N HA 0.158 4.902 4.740 0.006 0.000 0.248 505 N C -2.920 172.617 175.510 0.045 0.000 1.402 505 N CA -0.960 52.138 53.050 0.078 0.000 0.766 505 N CB 2.371 40.904 38.487 0.078 0.000 1.223 505 N HN 0.121 nan 8.380 nan 0.000 0.515 506 P HA 0.294 nan 4.420 nan 0.000 0.285 506 P C -0.474 176.840 177.300 0.025 0.000 1.259 506 P CA -0.088 63.028 63.100 0.026 0.000 0.794 506 P CB 0.497 32.210 31.700 0.022 0.000 0.940 507 N N 0.931 119.642 118.700 0.019 0.000 2.643 507 N HA -0.138 4.605 4.740 0.006 0.000 0.267 507 N C -1.046 174.470 175.510 0.011 0.000 1.158 507 N CA 0.046 53.104 53.050 0.013 0.000 0.684 507 N CB -1.485 37.009 38.487 0.011 0.000 0.879 507 N HN 0.370 nan 8.380 nan 0.000 0.553 508 L N 1.381 122.610 121.223 0.010 0.000 2.389 508 L HA 0.376 4.720 4.340 0.006 0.000 0.265 508 L C 0.347 177.220 176.870 0.006 0.000 1.167 508 L CA -0.182 54.663 54.840 0.008 0.000 1.045 508 L CB 0.038 42.103 42.059 0.009 0.000 1.351 508 L HN 0.450 nan 8.230 nan 0.000 0.419 509 S N 0.657 116.360 115.700 0.004 0.000 2.579 509 S HA 0.697 5.170 4.470 0.006 0.000 0.272 509 S C -0.692 173.909 174.600 0.001 0.000 1.141 509 S CA -0.887 57.315 58.200 0.002 0.000 0.843 509 S CB 2.170 65.371 63.200 0.001 0.000 1.122 509 S HN -0.037 nan 8.310 nan 0.000 0.468 510 V N 2.960 122.874 119.914 0.000 0.000 2.364 510 V HA 0.610 4.733 4.120 0.006 0.000 0.272 510 V C -0.649 175.444 176.094 -0.001 0.000 1.036 510 V CA -0.240 62.059 62.300 -0.000 0.000 0.880 510 V CB 0.028 31.850 31.823 -0.001 0.000 0.991 510 V HN 1.062 nan 8.190 nan 0.000 0.460 511 D N 3.329 123.729 120.400 -0.001 0.000 2.812 511 D HA 0.578 5.222 4.640 0.006 0.000 0.318 511 D C -0.846 175.454 176.300 0.000 0.000 1.234 511 D CA -0.816 53.183 54.000 -0.002 0.000 0.989 511 D CB 1.171 41.968 40.800 -0.004 0.000 1.442 511 D HN 0.241 nan 8.370 nan 0.000 0.537 512 E N -0.462 119.738 120.200 -0.000 0.000 2.299 512 E HA 0.468 4.821 4.350 0.006 0.000 0.265 512 E C -2.323 174.282 176.600 0.008 0.000 0.911 512 E CA -1.892 54.511 56.400 0.005 0.000 0.789 512 E CB 1.516 31.220 29.700 0.006 0.000 1.246 512 E HN 0.331 nan 8.360 nan 0.000 0.427 513 P HA 0.117 nan 4.420 nan 0.000 0.271 513 P C -0.296 177.015 177.300 0.017 0.000 1.218 513 P CA -0.517 62.604 63.100 0.036 0.000 0.780 513 P CB 0.553 32.299 31.700 0.077 0.000 0.901 514 L N 2.491 123.707 121.223 -0.013 0.000 2.426 514 L HA 0.119 4.462 4.340 0.006 0.000 0.271 514 L C 1.000 177.846 176.870 -0.040 0.000 1.169 514 L CA 0.518 55.321 54.840 -0.062 0.000 0.836 514 L CB -0.773 41.192 42.059 -0.157 0.000 1.112 514 L HN 0.357 nan 8.230 nan 0.000 0.465 515 D N 2.735 123.111 120.400 -0.039 0.000 2.435 515 D HA 0.315 4.958 4.640 0.006 0.000 0.230 515 D C -0.604 175.654 176.300 -0.071 0.000 1.215 515 D CA -0.005 53.983 54.000 -0.021 0.000 0.947 515 D CB 0.144 40.940 40.800 -0.007 0.000 1.048 515 D HN 0.251 nan 8.370 nan 0.000 0.512 516 V N 0.602 120.439 119.914 -0.128 0.000 3.001 516 V HA 0.561 4.684 4.120 0.006 0.000 0.314 516 V C -0.196 175.799 176.094 -0.164 0.000 1.099 516 V CA -1.129 61.051 62.300 -0.200 0.000 0.989 516 V CB 2.124 33.726 31.823 -0.368 0.000 1.040 516 V HN 0.144 nan 8.190 nan 0.000 0.434 517 D N 0.677 121.055 120.400 -0.036 0.000 2.396 517 D HA 0.358 5.001 4.640 0.006 0.000 0.225 517 D C 0.141 176.501 176.300 0.099 0.000 1.121 517 D CA -0.110 53.943 54.000 0.089 0.000 0.853 517 D CB 0.968 41.895 40.800 0.211 0.000 1.043 517 D HN 0.605 nan 8.370 nan 0.000 0.500 518 Y N 2.197 122.576 120.300 0.133 0.000 2.561 518 Y HA 0.043 4.596 4.550 0.005 0.000 0.291 518 Y C 2.165 177.989 175.900 -0.127 0.000 1.141 518 Y CA 0.371 58.485 58.100 0.024 0.000 1.303 518 Y CB 0.139 38.608 38.460 0.016 0.000 1.015 518 Y HN 0.281 nan 8.280 nan 0.000 0.547 519 R N -0.618 119.852 120.500 -0.051 0.000 2.285 519 R HA -0.008 4.335 4.340 0.006 0.000 0.213 519 R C -0.691 175.238 176.300 -0.618 0.000 1.068 519 R CA 0.591 56.467 56.100 -0.375 0.000 1.004 519 R CB -0.109 29.740 30.300 -0.751 0.000 0.873 519 R HN 0.131 nan 8.270 nan 0.000 0.467 520 F N 0.249 120.194 119.950 -0.009 0.000 2.532 520 F HA 0.224 4.754 4.527 0.005 0.000 0.321 520 F C 0.246 176.001 175.800 -0.076 0.000 1.089 520 F CA -1.510 56.486 58.000 -0.007 0.000 0.926 520 F CB 1.076 40.084 39.000 0.012 0.000 1.168 520 F HN -0.250 nan 8.300 nan 0.000 0.459 521 D N 2.410 122.872 120.400 0.103 0.000 2.487 521 D HA -0.020 4.624 4.640 0.006 0.000 0.243 521 D C -0.114 176.249 176.300 0.106 0.000 1.154 521 D CA 0.521 54.519 54.000 -0.004 0.000 0.876 521 D CB 0.398 41.213 40.800 0.025 0.000 1.161 521 D HN 0.084 nan 8.370 nan 0.000 0.478 522 F N 1.636 121.611 119.950 0.041 0.000 2.612 522 F HA -0.079 4.451 4.527 0.006 0.000 0.389 522 F C 1.725 177.531 175.800 0.010 0.000 1.055 522 F CA -0.702 57.305 58.000 0.011 0.000 1.232 522 F CB -0.324 38.676 39.000 0.001 0.000 1.044 522 F HN 0.081 nan 8.300 nan 0.000 0.560 523 S N 1.907 117.727 115.700 0.200 0.000 2.596 523 S HA 0.051 4.524 4.470 0.006 0.000 0.260 523 S C 0.957 175.599 174.600 0.070 0.000 1.336 523 S CA -0.656 57.601 58.200 0.095 0.000 0.993 523 S CB 0.742 63.969 63.200 0.045 0.000 0.923 523 S HN 0.568 nan 8.310 nan 0.000 0.567 524 D N 0.420 120.846 120.400 0.043 0.000 2.218 524 D HA -0.117 4.527 4.640 0.006 0.000 0.204 524 D C 1.680 177.982 176.300 0.004 0.000 0.976 524 D CA 1.412 55.429 54.000 0.028 0.000 0.853 524 D CB -0.249 40.563 40.800 0.021 0.000 0.939 524 D HN 0.867 nan 8.370 nan 0.000 0.481 525 E N 0.323 120.517 120.200 -0.009 0.000 2.107 525 E HA -0.093 4.261 4.350 0.006 0.000 0.191 525 E C 2.216 178.778 176.600 -0.063 0.000 0.982 525 E CA 0.339 56.721 56.400 -0.030 0.000 0.809 525 E CB 0.048 29.730 29.700 -0.031 0.000 0.756 525 E HN 0.203 nan 8.360 nan 0.000 0.459 526 I N 0.902 121.419 120.570 -0.089 0.000 2.252 526 I HA -0.241 3.932 4.170 0.006 0.000 0.245 526 I C 2.495 178.499 176.117 -0.189 0.000 1.102 526 I CA 1.015 62.194 61.300 -0.202 0.000 1.385 526 I CB -0.140 37.656 38.000 -0.340 0.000 1.064 526 I HN 0.023 nan 8.210 nan 0.000 0.414 527 K N 0.694 121.048 120.400 -0.077 0.000 2.032 527 K HA -0.230 4.094 4.320 0.006 0.000 0.209 527 K C 2.038 178.623 176.600 -0.026 0.000 1.048 527 K CA 1.705 57.982 56.287 -0.017 0.000 0.927 527 K CB -0.146 32.382 32.500 0.048 0.000 0.712 527 K HN 0.351 nan 8.250 nan 0.000 0.441 528 E N 0.576 120.761 120.200 -0.026 0.000 2.058 528 E HA -0.224 4.130 4.350 0.006 0.000 0.194 528 E C 1.985 178.564 176.600 -0.034 0.000 0.997 528 E CA 1.457 57.844 56.400 -0.021 0.000 0.801 528 E CB 0.023 29.712 29.700 -0.019 0.000 0.746 528 E HN 0.229 nan 8.360 nan 0.000 0.450 529 K N 0.418 120.783 120.400 -0.058 0.000 2.097 529 K HA -0.095 4.228 4.320 0.006 0.000 0.205 529 K C 2.170 178.731 176.600 -0.066 0.000 1.050 529 K CA 0.863 57.111 56.287 -0.065 0.000 0.938 529 K CB -0.095 32.352 32.500 -0.089 0.000 0.718 529 K HN 0.120 nan 8.250 nan 0.000 0.442 530 I N 1.488 122.006 120.570 -0.087 0.000 2.208 530 I HA -0.303 3.870 4.170 0.006 0.000 0.245 530 I C 1.727 177.830 176.117 -0.024 0.000 1.097 530 I CA 1.397 62.656 61.300 -0.067 0.000 1.363 530 I CB -0.132 37.819 38.000 -0.083 0.000 1.051 530 I HN 0.121 nan 8.210 nan 0.000 0.413 531 K N 0.656 121.047 120.400 -0.015 0.000 2.574 531 K HA -0.101 4.223 4.320 0.006 0.000 0.193 531 K C 1.125 177.726 176.600 0.001 0.000 1.035 531 K CA 0.712 57.000 56.287 0.002 0.000 0.982 531 K CB 0.012 32.517 32.500 0.009 0.000 0.795 531 K HN 0.330 nan 8.250 nan 0.000 0.491 532 K N 0.234 120.629 120.400 -0.008 0.000 2.438 532 K HA 0.141 4.465 4.320 0.006 0.000 0.205 532 K C -0.600 175.997 176.600 -0.006 0.000 1.033 532 K CA -0.281 56.002 56.287 -0.006 0.000 1.089 532 K CB 0.589 33.082 32.500 -0.011 0.000 0.857 532 K HN -0.099 nan 8.250 nan 0.000 0.522 533 L N 1.448 122.667 121.223 -0.006 0.000 2.343 533 L HA 0.232 4.575 4.340 0.006 0.000 0.275 533 L C 0.571 177.443 176.870 0.004 0.000 1.056 533 L CA -0.310 54.527 54.840 -0.004 0.000 0.804 533 L CB 1.498 43.552 42.059 -0.008 0.000 1.203 533 L HN 0.095 nan 8.230 nan 0.000 0.440 534 S N 1.468 117.171 115.700 0.004 0.000 2.576 534 S HA 0.273 4.747 4.470 0.006 0.000 0.272 534 S C 1.278 175.885 174.600 0.010 0.000 1.352 534 S CA 0.006 58.210 58.200 0.007 0.000 1.021 534 S CB 0.658 63.861 63.200 0.005 0.000 0.887 534 S HN 0.757 nan 8.310 nan 0.000 0.542 535 A N 1.792 124.619 122.820 0.012 0.000 1.933 535 A HA -0.115 4.208 4.320 0.006 0.000 0.218 535 A C 2.180 179.770 177.584 0.011 0.000 1.175 535 A CA 1.872 53.916 52.037 0.013 0.000 0.628 535 A CB -0.947 18.061 19.000 0.014 0.000 0.814 535 A HN 0.977 nan 8.150 nan 0.000 0.444 536 K N -0.174 120.230 120.400 0.007 0.000 1.991 536 K HA -0.141 4.182 4.320 0.006 0.000 0.212 536 K C 2.272 178.878 176.600 0.010 0.000 1.049 536 K CA 1.882 58.171 56.287 0.003 0.000 0.932 536 K CB -0.276 32.223 32.500 -0.002 0.000 0.717 536 K HN 0.399 nan 8.250 nan 0.000 0.441 537 S N 0.957 116.666 115.700 0.014 0.000 2.368 537 S HA -0.101 4.372 4.470 0.006 0.000 0.225 537 S C 1.869 176.493 174.600 0.041 0.000 1.030 537 S CA 1.276 59.490 58.200 0.024 0.000 0.999 537 S CB -0.255 62.954 63.200 0.016 0.000 0.844 537 S HN 0.245 nan 8.310 nan 0.000 0.459 538 L N 1.320 122.563 121.223 0.034 0.000 2.046 538 L HA -0.146 4.197 4.340 0.006 0.000 0.208 538 L C 2.045 178.950 176.870 0.059 0.000 1.077 538 L CA 1.241 56.109 54.840 0.047 0.000 0.747 538 L CB -0.665 41.411 42.059 0.028 0.000 0.896 538 L HN 0.341 nan 8.230 nan 0.000 0.432 539 N N -0.574 118.152 118.700 0.043 0.000 2.188 539 N HA -0.223 4.521 4.740 0.006 0.000 0.184 539 N C 1.768 177.322 175.510 0.073 0.000 1.018 539 N CA 0.870 53.948 53.050 0.048 0.000 0.858 539 N CB 0.025 38.526 38.487 0.023 0.000 0.989 539 N HN 0.233 nan 8.380 nan 0.000 0.426 540 E N 1.072 121.308 120.200 0.060 0.000 2.072 540 E HA -0.082 4.271 4.350 0.006 0.000 0.191 540 E C 1.786 178.472 176.600 0.144 0.000 0.985 540 E CA 1.212 57.658 56.400 0.077 0.000 0.801 540 E CB -0.044 29.681 29.700 0.042 0.000 0.750 540 E HN 0.303 nan 8.360 nan 0.000 0.452 541 M N -0.410 119.277 119.600 0.145 0.000 2.159 541 M HA -0.118 4.365 4.480 0.006 0.000 0.263 541 M C 2.047 178.418 176.300 0.119 0.000 1.063 541 M CA 0.906 56.335 55.300 0.214 0.000 1.110 541 M CB -0.216 32.537 32.600 0.255 0.000 1.374 541 M HN 0.249 nan 8.290 nan 0.000 0.411 542 L N 0.033 121.319 121.223 0.105 0.000 2.027 542 L HA -0.158 4.185 4.340 0.006 0.000 0.206 542 L C 2.168 179.034 176.870 -0.006 0.000 1.074 542 L CA 1.803 56.674 54.840 0.052 0.000 0.745 542 L CB -0.977 41.118 42.059 0.060 0.000 0.898 542 L HN 0.202 nan 8.230 nan 0.000 0.433 543 F N 0.564 120.461 119.950 -0.088 0.000 2.091 543 F HA -0.281 4.249 4.527 0.005 0.000 0.299 543 F C 2.577 178.271 175.800 -0.177 0.000 1.103 543 F CA 2.004 59.940 58.000 -0.107 0.000 1.228 543 F CB -0.248 38.707 39.000 -0.075 0.000 0.984 543 F HN 0.037 nan 8.300 nan 0.000 0.477 544 R N 0.052 120.474 120.500 -0.130 0.000 2.075 544 R HA -0.089 4.254 4.340 0.006 0.000 0.232 544 R C 2.484 178.290 176.300 -0.823 0.000 1.126 544 R CA 1.116 56.978 56.100 -0.397 0.000 0.963 544 R CB -0.855 29.291 30.300 -0.257 0.000 0.858 544 R HN 0.414 nan 8.270 nan 0.000 0.435 545 A N 1.212 123.469 122.820 -0.938 0.000 1.877 545 A HA -0.227 4.097 4.320 0.006 0.000 0.216 545 A C 2.039 179.407 177.584 -0.361 0.000 1.186 545 A CA 1.308 52.924 52.037 -0.702 0.000 0.620 545 A CB -0.423 18.450 19.000 -0.210 0.000 0.822 545 A HN 0.321 nan 8.150 nan 0.000 0.443 546 Q N -1.210 118.401 119.800 -0.315 0.000 2.224 546 Q HA -0.095 4.248 4.340 0.006 0.000 0.203 546 Q C 2.287 178.093 176.000 -0.322 0.000 0.970 546 Q CA 0.813 56.458 55.803 -0.264 0.000 0.865 546 Q CB -0.068 28.527 28.738 -0.237 0.000 0.922 546 Q HN 0.405 nan 8.270 nan 0.000 0.445 547 R N -0.276 119.953 120.500 -0.452 0.000 2.090 547 R HA -0.026 4.317 4.340 0.006 0.000 0.228 547 R C 2.147 178.301 176.300 -0.245 0.000 1.110 547 R CA 1.242 57.099 56.100 -0.404 0.000 0.973 547 R CB -0.733 29.263 30.300 -0.507 0.000 0.869 547 R HN 0.247 nan 8.270 nan 0.000 0.440 548 T N 1.035 115.451 114.554 -0.230 0.000 2.746 548 T HA -0.153 4.200 4.350 0.006 0.000 0.267 548 T C 1.697 176.342 174.700 -0.092 0.000 1.039 548 T CA 1.372 63.398 62.100 -0.123 0.000 1.142 548 T CB -0.065 68.763 68.868 -0.068 0.000 0.866 548 T HN 0.390 nan 8.240 nan 0.000 0.444 549 E N 0.487 120.620 120.200 -0.112 0.000 2.077 549 E HA -0.127 4.227 4.350 0.006 0.000 0.193 549 E C 2.261 178.824 176.600 -0.061 0.000 0.989 549 E CA 1.021 57.376 56.400 -0.075 0.000 0.800 549 E CB -0.064 29.589 29.700 -0.079 0.000 0.746 549 E HN 0.270 nan 8.360 nan 0.000 0.452 550 V N 1.411 121.271 119.914 -0.090 0.000 2.332 550 V HA -0.299 3.824 4.120 0.006 0.000 0.248 550 V C 2.512 178.576 176.094 -0.050 0.000 1.055 550 V CA 1.889 64.148 62.300 -0.068 0.000 1.038 550 V CB -0.910 30.849 31.823 -0.108 0.000 0.651 550 V HN 0.410 nan 8.190 nan 0.000 0.450 551 A N 0.602 123.381 122.820 -0.068 0.000 1.877 551 A HA -0.108 4.215 4.320 0.006 0.000 0.216 551 A C 2.441 180.018 177.584 -0.013 0.000 1.186 551 A CA 2.021 54.028 52.037 -0.050 0.000 0.620 551 A CB -1.285 17.683 19.000 -0.052 0.000 0.822 551 A HN 0.536 nan 8.150 nan 0.000 0.443 552 G N -0.778 108.030 108.800 0.013 0.000 2.422 552 G HA2 -0.202 3.761 3.960 0.006 0.000 0.218 552 G HA3 -0.202 3.761 3.960 0.006 0.000 0.218 552 G C 1.521 176.433 174.900 0.020 0.000 1.146 552 G CA 1.570 46.706 45.100 0.059 0.000 0.769 552 G HN 0.492 nan 8.290 nan 0.000 0.547 553 M N 1.090 120.694 119.600 0.007 0.000 2.099 553 M HA 0.022 4.506 4.480 0.006 0.000 0.262 553 M C 2.504 178.826 176.300 0.036 0.000 1.067 553 M CA 2.090 57.398 55.300 0.013 0.000 1.124 553 M CB -0.923 31.691 32.600 0.024 0.000 1.353 553 M HN 0.094 nan 8.290 nan 0.000 0.410 554 T N 0.927 115.517 114.554 0.059 0.000 2.635 554 T HA -0.158 4.195 4.350 0.006 0.000 0.267 554 T C 1.820 176.504 174.700 -0.026 0.000 1.040 554 T CA 2.065 64.228 62.100 0.105 0.000 1.156 554 T CB -0.883 68.049 68.868 0.107 0.000 0.863 554 T HN 0.585 nan 8.240 nan 0.000 0.430 555 A N 1.640 124.386 122.820 -0.125 0.000 1.902 555 A HA -0.187 4.137 4.320 0.006 0.000 0.217 555 A C 2.291 179.726 177.584 -0.249 0.000 1.181 555 A CA 2.099 53.938 52.037 -0.331 0.000 0.623 555 A CB -0.688 17.918 19.000 -0.657 0.000 0.818 555 A HN 0.689 nan 8.150 nan 0.000 0.443 556 Q N -0.402 119.337 119.800 -0.102 0.000 2.062 556 Q HA 0.066 4.409 4.340 0.006 0.000 0.196 556 Q C 1.855 177.825 176.000 -0.049 0.000 0.967 556 Q CA 1.779 57.552 55.803 -0.051 0.000 0.832 556 Q CB -0.587 28.135 28.738 -0.027 0.000 0.899 556 Q HN 0.537 nan 8.270 nan 0.000 0.442 557 I N 0.291 120.837 120.570 -0.040 0.000 2.546 557 I HA -0.133 4.041 4.170 0.006 0.000 0.255 557 I C 1.136 177.263 176.117 0.017 0.000 1.163 557 I CA 0.810 62.066 61.300 -0.073 0.000 1.457 557 I CB 0.030 37.940 38.000 -0.151 0.000 1.092 557 I HN 0.307 nan 8.210 nan 0.000 0.434 558 N N 0.461 119.208 118.700 0.079 0.000 2.415 558 N HA -0.011 4.733 4.740 0.006 0.000 0.176 558 N C 1.726 177.280 175.510 0.073 0.000 1.042 558 N CA 0.456 53.601 53.050 0.158 0.000 0.902 558 N CB 0.039 38.581 38.487 0.093 0.000 0.986 558 N HN 0.356 nan 8.380 nan 0.000 0.447 559 R N 1.204 121.703 120.500 -0.002 0.000 2.090 559 R HA 0.018 4.362 4.340 0.006 0.000 0.228 559 R C 2.159 178.505 176.300 0.077 0.000 1.110 559 R CA 0.825 56.925 56.100 0.001 0.000 0.973 559 R CB 0.042 30.311 30.300 -0.052 0.000 0.869 559 R HN 0.140 nan 8.270 nan 0.000 0.440 560 K N 0.690 121.127 120.400 0.060 0.000 2.057 560 K HA -0.100 4.224 4.320 0.006 0.000 0.207 560 K C 1.934 178.603 176.600 0.114 0.000 1.049 560 K CA 1.439 57.773 56.287 0.079 0.000 0.931 560 K CB -0.056 32.451 32.500 0.011 0.000 0.714 560 K HN 0.141 nan 8.250 nan 0.000 0.440 561 A N 1.407 124.311 122.820 0.140 0.000 1.930 561 A HA -0.131 4.192 4.320 0.006 0.000 0.217 561 A C 2.030 179.748 177.584 0.223 0.000 1.175 561 A CA 1.133 53.296 52.037 0.210 0.000 0.627 561 A CB -0.511 18.701 19.000 0.353 0.000 0.815 561 A HN 0.384 nan 8.150 nan 0.000 0.443 562 L N 0.807 122.169 121.223 0.231 0.000 2.017 562 L HA -0.144 4.199 4.340 0.006 0.000 0.208 562 L C 2.377 179.583 176.870 0.561 0.000 1.073 562 L CA 2.319 57.352 54.840 0.322 0.000 0.745 562 L CB -0.525 41.629 42.059 0.159 0.000 0.894 562 L HN 0.597 nan 8.230 nan 0.000 0.432 563 I N -3.180 117.644 120.570 0.422 0.000 2.353 563 I HA -0.204 3.969 4.170 0.006 0.000 0.248 563 I C 1.973 178.176 176.117 0.143 0.000 1.119 563 I CA 1.882 63.386 61.300 0.341 0.000 1.417 563 I CB -0.954 37.214 38.000 0.280 0.000 1.078 563 I HN 0.317 nan 8.210 nan 0.000 0.421 564 N N 1.749 120.538 118.700 0.147 0.000 2.223 564 N HA -0.095 4.648 4.740 0.006 0.000 0.185 564 N C 2.067 177.639 175.510 0.103 0.000 1.016 564 N CA 1.093 54.206 53.050 0.105 0.000 0.863 564 N CB -0.332 38.200 38.487 0.076 0.000 0.983 564 N HN 0.566 nan 8.380 nan 0.000 0.429 565 G N 1.523 110.415 108.800 0.153 0.000 2.469 565 G HA2 -0.252 3.712 3.960 0.006 0.000 0.220 565 G HA3 -0.252 3.712 3.960 0.006 0.000 0.220 565 G C 1.445 176.336 174.900 -0.015 0.000 1.136 565 G CA 0.564 45.749 45.100 0.142 0.000 0.759 565 G HN 0.165 nan 8.290 nan 0.000 0.562 566 L N 1.232 122.336 121.223 -0.198 0.000 2.044 566 L HA 0.270 4.614 4.340 0.006 0.000 0.205 566 L C 3.091 179.754 176.870 -0.345 0.000 1.075 566 L CA 2.062 56.526 54.840 -0.628 0.000 0.747 566 L CB -0.905 40.361 42.059 -1.320 0.000 0.903 566 L HN 0.225 nan 8.230 nan 0.000 0.435 567 A N -0.378 122.333 122.820 -0.182 0.000 1.917 567 A HA -0.157 4.166 4.320 0.006 0.000 0.219 567 A C 2.330 179.921 177.584 0.011 0.000 1.182 567 A CA 1.867 53.866 52.037 -0.063 0.000 0.633 567 A CB -1.661 17.386 19.000 0.078 0.000 0.819 567 A HN 0.548 nan 8.150 nan 0.000 0.448 568 G N -0.799 108.033 108.800 0.054 0.000 2.402 568 G HA2 0.045 4.009 3.960 0.006 0.000 0.216 568 G HA3 0.045 4.009 3.960 0.006 0.000 0.216 568 G C 1.717 176.648 174.900 0.052 0.000 1.162 568 G CA 1.308 46.473 45.100 0.108 0.000 0.777 568 G HN 0.872 nan 8.290 nan 0.000 0.539 569 A N 0.556 123.303 122.820 -0.121 0.000 2.024 569 A HA 0.093 4.416 4.320 0.006 0.000 0.220 569 A C 2.329 179.872 177.584 -0.068 0.000 1.164 569 A CA 1.026 52.884 52.037 -0.298 0.000 0.643 569 A CB -0.339 18.101 19.000 -0.934 0.000 0.806 569 A HN 0.376 nan 8.150 nan 0.000 0.451 570 L N -1.091 120.147 121.223 0.024 0.000 2.265 570 L HA -0.097 4.246 4.340 0.006 0.000 0.215 570 L C 2.141 179.048 176.870 0.062 0.000 1.117 570 L CA 0.856 55.791 54.840 0.157 0.000 0.782 570 L CB -0.244 41.816 42.059 0.002 0.000 0.914 570 L HN 0.499 nan 8.230 nan 0.000 0.441 571 G N -1.198 107.675 108.800 0.121 0.000 3.605 571 G HA2 -0.014 3.950 3.960 0.006 0.000 0.277 571 G HA3 -0.014 3.950 3.960 0.006 0.000 0.277 571 G C 0.031 175.185 174.900 0.423 0.000 1.093 571 G CA -0.247 44.954 45.100 0.169 0.000 0.821 571 G HN 0.107 nan 8.290 nan 0.000 0.532 572 N N 1.104 120.052 118.700 0.412 0.000 2.417 572 N HA 0.119 4.863 4.740 0.006 0.000 0.274 572 N C 1.586 177.101 175.510 0.008 0.000 0.987 572 N CA -0.410 52.779 53.050 0.231 0.000 0.912 572 N CB 2.329 40.955 38.487 0.231 0.000 1.177 572 N HN -0.041 nan 8.380 nan 0.000 0.490 573 V N 1.893 121.535 119.914 -0.452 0.000 2.688 573 V HA -0.089 4.034 4.120 0.006 0.000 0.256 573 V C 1.268 177.063 176.094 -0.499 0.000 1.084 573 V CA 1.071 62.835 62.300 -0.892 0.000 1.103 573 V CB -0.906 30.399 31.823 -0.862 0.000 0.688 573 V HN 0.647 nan 8.190 nan 0.000 0.480 574 W N -1.323 119.969 121.300 -0.012 0.000 3.139 574 W HA 0.391 5.054 4.660 0.006 0.000 0.260 574 W C 0.981 177.598 176.519 0.164 0.000 1.312 574 W CA -0.779 56.597 57.345 0.053 0.000 1.606 574 W CB -0.008 29.478 29.460 0.044 0.000 1.118 574 W HN 0.173 nan 8.180 nan 0.000 0.675 575 F N 1.908 121.985 119.950 0.212 0.000 2.443 575 F HA 0.197 4.727 4.527 0.006 0.000 0.353 575 F C 1.818 177.684 175.800 0.111 0.000 1.101 575 F CA -1.145 56.969 58.000 0.189 0.000 1.226 575 F CB 0.797 39.935 39.000 0.230 0.000 1.140 575 F HN -0.223 nan 8.300 nan 0.000 0.557 576 R N 3.327 123.508 120.500 -0.532 0.000 2.105 576 R HA -0.179 4.165 4.340 0.006 0.000 0.239 576 R C 0.534 176.300 176.300 -0.891 0.000 1.135 576 R CA 1.790 57.440 56.100 -0.751 0.000 0.967 576 R CB -0.248 29.425 30.300 -1.046 0.000 0.861 576 R HN 0.745 nan 8.270 nan 0.000 0.442 577 Y N -1.262 118.537 120.300 -0.836 0.000 2.625 577 Y HA 0.090 4.644 4.550 0.006 0.000 0.285 577 Y C -0.469 175.390 175.900 -0.068 0.000 1.168 577 Y CA -0.943 56.905 58.100 -0.420 0.000 1.250 577 Y CB -0.192 38.012 38.460 -0.426 0.000 1.130 577 Y HN 0.035 nan 8.280 nan 0.000 0.526 578 Y N 2.799 123.105 120.300 0.009 0.000 2.804 578 Y HA 0.055 4.608 4.550 0.006 0.000 0.338 578 Y C -0.244 175.584 175.900 -0.120 0.000 1.252 578 Y CA 0.382 58.508 58.100 0.044 0.000 1.576 578 Y CB 0.146 38.599 38.460 -0.012 0.000 1.223 578 Y HN 0.153 nan 8.280 nan 0.000 0.536 579 D N 6.082 126.070 120.400 -0.687 0.000 2.890 579 D HA 0.085 4.728 4.640 0.006 0.000 0.233 579 D C -0.246 175.615 176.300 -0.731 0.000 1.306 579 D CA -0.511 53.077 54.000 -0.686 0.000 0.929 579 D CB 1.735 42.365 40.800 -0.284 0.000 1.512 579 D HN 0.621 nan 8.370 nan 0.000 0.568 580 L N 3.831 124.583 121.223 -0.784 0.000 2.217 580 L HA 0.137 4.480 4.340 0.006 0.000 0.211 580 L C 2.344 178.988 176.870 -0.377 0.000 1.107 580 L CA 1.254 55.733 54.840 -0.602 0.000 0.783 580 L CB -0.217 41.579 42.059 -0.439 0.000 0.919 580 L HN 0.401 nan 8.230 nan 0.000 0.442 581 R N -0.802 119.524 120.500 -0.291 0.000 2.091 581 R HA -0.156 4.188 4.340 0.006 0.000 0.238 581 R C 1.864 178.081 176.300 -0.138 0.000 1.136 581 R CA 1.516 57.501 56.100 -0.191 0.000 0.959 581 R CB -0.346 29.851 30.300 -0.172 0.000 0.856 581 R HN 0.413 nan 8.270 nan 0.000 0.437 582 N N 0.459 119.068 118.700 -0.151 0.000 2.207 582 N HA -0.051 4.693 4.740 0.006 0.000 0.182 582 N C 1.652 177.057 175.510 -0.177 0.000 1.020 582 N CA 1.326 54.312 53.050 -0.107 0.000 0.858 582 N CB -0.389 38.037 38.487 -0.101 0.000 0.991 582 N HN 0.174 nan 8.380 nan 0.000 0.427 583 A N 0.455 123.118 122.820 -0.262 0.000 1.908 583 A HA -0.144 4.180 4.320 0.006 0.000 0.218 583 A C 2.251 179.733 177.584 -0.169 0.000 1.181 583 A CA 2.184 54.054 52.037 -0.279 0.000 0.627 583 A CB -1.102 17.549 19.000 -0.582 0.000 0.818 583 A HN 0.351 nan 8.150 nan 0.000 0.445 584 T N 0.113 114.565 114.554 -0.169 0.000 2.904 584 T HA 0.128 4.481 4.350 0.006 0.000 0.267 584 T C 2.153 176.834 174.700 -0.032 0.000 1.059 584 T CA 1.118 63.205 62.100 -0.021 0.000 1.137 584 T CB -0.363 68.493 68.868 -0.019 0.000 0.879 584 T HN 0.591 nan 8.240 nan 0.000 0.467 585 A N 1.337 124.122 122.820 -0.059 0.000 1.978 585 A HA -0.034 4.289 4.320 0.006 0.000 0.220 585 A C 2.231 179.772 177.584 -0.071 0.000 1.170 585 A CA 1.171 53.197 52.037 -0.019 0.000 0.636 585 A CB -0.748 18.283 19.000 0.051 0.000 0.810 585 A HN 0.535 nan 8.150 nan 0.000 0.448 586 I N -0.235 120.226 120.570 -0.181 0.000 2.193 586 I HA -0.194 3.980 4.170 0.006 0.000 0.240 586 I C 2.921 178.830 176.117 -0.347 0.000 1.084 586 I CA 1.793 62.891 61.300 -0.336 0.000 1.365 586 I CB -0.606 37.107 38.000 -0.479 0.000 1.064 586 I HN 0.533 nan 8.210 nan 0.000 0.410 587 T N -2.228 112.172 114.554 -0.257 0.000 2.812 587 T HA -0.111 4.242 4.350 0.006 0.000 0.264 587 T C 1.844 176.571 174.700 0.045 0.000 1.042 587 T CA 1.728 63.757 62.100 -0.119 0.000 1.140 587 T CB -0.800 68.106 68.868 0.062 0.000 0.870 587 T HN 0.203 nan 8.240 nan 0.000 0.445 588 T N 1.308 115.896 114.554 0.056 0.000 2.708 588 T HA 0.028 4.381 4.350 0.006 0.000 0.266 588 T C 1.359 176.107 174.700 0.080 0.000 1.037 588 T CA 1.263 63.408 62.100 0.075 0.000 1.146 588 T CB -0.700 68.200 68.868 0.053 0.000 0.865 588 T HN 0.388 nan 8.240 nan 0.000 0.435 589 F N 2.068 121.979 119.950 -0.064 0.000 2.161 589 F HA -0.008 4.523 4.527 0.006 0.000 0.300 589 F C 2.374 178.159 175.800 -0.025 0.000 1.089 589 F CA 1.246 59.201 58.000 -0.075 0.000 1.282 589 F CB -0.719 38.205 39.000 -0.126 0.000 1.010 589 F HN 0.185 nan 8.300 nan 0.000 0.485 590 G N -0.732 108.208 108.800 0.234 0.000 2.402 590 G HA2 -0.221 3.742 3.960 0.006 0.000 0.216 590 G HA3 -0.221 3.742 3.960 0.006 0.000 0.216 590 G C 1.514 176.530 174.900 0.193 0.000 1.162 590 G CA 0.620 45.868 45.100 0.247 0.000 0.777 590 G HN 0.397 nan 8.290 nan 0.000 0.539 591 Q N -0.643 119.253 119.800 0.161 0.000 2.050 591 Q HA -0.091 4.253 4.340 0.006 0.000 0.202 591 Q C 2.479 178.495 176.000 0.026 0.000 0.980 591 Q CA 1.386 57.272 55.803 0.138 0.000 0.840 591 Q CB -0.270 28.550 28.738 0.137 0.000 0.898 591 Q HN 0.569 nan 8.270 nan 0.000 0.424 592 M N 0.264 119.857 119.600 -0.012 0.000 2.086 592 M HA -0.186 4.298 4.480 0.006 0.000 0.261 592 M C 2.147 178.460 176.300 0.022 0.000 1.067 592 M CA 1.839 57.119 55.300 -0.034 0.000 1.116 592 M CB -0.187 32.318 32.600 -0.157 0.000 1.348 592 M HN 0.197 nan 8.290 nan 0.000 0.407 593 A N 0.659 123.461 122.820 -0.030 0.000 1.908 593 A HA -0.192 4.131 4.320 0.006 0.000 0.218 593 A C 2.157 179.942 177.584 0.335 0.000 1.181 593 A CA 1.659 53.799 52.037 0.170 0.000 0.627 593 A CB -1.084 18.005 19.000 0.148 0.000 0.818 593 A HN 0.666 nan 8.150 nan 0.000 0.445 594 L N -1.002 120.360 121.223 0.231 0.000 2.044 594 L HA -0.199 4.144 4.340 0.006 0.000 0.205 594 L C 2.725 179.673 176.870 0.129 0.000 1.075 594 L CA 1.877 56.848 54.840 0.218 0.000 0.747 594 L CB -0.445 41.758 42.059 0.239 0.000 0.903 594 L HN 0.521 nan 8.230 nan 0.000 0.435 595 Q N -1.203 118.614 119.800 0.028 0.000 2.245 595 Q HA -0.221 4.123 4.340 0.006 0.000 0.201 595 Q C 1.890 177.897 176.000 0.011 0.000 0.955 595 Q CA 1.263 57.026 55.803 -0.068 0.000 0.870 595 Q CB -0.168 28.403 28.738 -0.278 0.000 0.945 595 Q HN 0.625 nan 8.270 nan 0.000 0.461 596 W N 1.069 122.308 121.300 -0.103 0.000 2.355 596 W HA -0.193 4.470 4.660 0.005 0.000 0.309 596 W C 1.651 178.048 176.519 -0.203 0.000 1.206 596 W CA 1.017 58.287 57.345 -0.125 0.000 1.284 596 W CB -0.247 29.156 29.460 -0.096 0.000 1.145 596 W HN 0.151 nan 8.180 nan 0.000 0.502 597 I N 1.611 122.219 120.570 0.064 0.000 2.546 597 I HA -0.209 3.965 4.170 0.006 0.000 0.255 597 I C 2.541 178.570 176.117 -0.147 0.000 1.163 597 I CA 1.913 63.101 61.300 -0.187 0.000 1.457 597 I CB -0.820 36.975 38.000 -0.341 0.000 1.092 597 I HN 0.114 nan 8.210 nan 0.000 0.434 598 E N 0.505 120.670 120.200 -0.059 0.000 2.038 598 E HA -0.319 4.034 4.350 0.006 0.000 0.195 598 E C 2.490 179.041 176.600 -0.083 0.000 1.000 598 E CA 1.385 57.764 56.400 -0.035 0.000 0.803 598 E CB -0.261 29.448 29.700 0.013 0.000 0.750 598 E HN 0.412 nan 8.360 nan 0.000 0.448 599 R N 0.275 120.686 120.500 -0.149 0.000 2.083 599 R HA -0.154 4.190 4.340 0.006 0.000 0.237 599 R C 2.297 178.456 176.300 -0.234 0.000 1.137 599 R CA 1.736 57.715 56.100 -0.201 0.000 0.951 599 R CB 0.012 30.130 30.300 -0.304 0.000 0.851 599 R HN 0.027 nan 8.270 nan 0.000 0.434 600 K N 0.021 120.226 120.400 -0.326 0.000 2.097 600 K HA -0.077 4.247 4.320 0.006 0.000 0.206 600 K C 2.076 178.574 176.600 -0.170 0.000 1.049 600 K CA 1.130 57.242 56.287 -0.293 0.000 0.933 600 K CB -0.257 32.026 32.500 -0.361 0.000 0.717 600 K HN 0.138 nan 8.250 nan 0.000 0.442 601 V N 2.299 122.119 119.914 -0.158 0.000 2.379 601 V HA -0.207 3.917 4.120 0.006 0.000 0.245 601 V C 2.006 178.076 176.094 -0.040 0.000 1.044 601 V CA 1.444 63.677 62.300 -0.111 0.000 1.036 601 V CB -0.518 31.222 31.823 -0.139 0.000 0.664 601 V HN 0.266 nan 8.190 nan 0.000 0.453 602 N N 0.554 119.255 118.700 0.001 0.000 2.025 602 N HA -0.201 4.543 4.740 0.006 0.000 0.194 602 N C 1.847 177.374 175.510 0.028 0.000 1.044 602 N CA 1.824 54.930 53.050 0.094 0.000 0.851 602 N CB -0.413 38.139 38.487 0.109 0.000 1.036 602 N HN 0.572 nan 8.380 nan 0.000 0.422 603 E N -0.344 119.844 120.200 -0.020 0.000 2.086 603 E HA -0.256 4.098 4.350 0.006 0.000 0.200 603 E C 1.867 178.442 176.600 -0.042 0.000 1.012 603 E CA 1.291 57.667 56.400 -0.039 0.000 0.812 603 E CB -0.301 29.348 29.700 -0.085 0.000 0.743 603 E HN 0.482 nan 8.360 nan 0.000 0.453 604 Y N 1.163 121.365 120.300 -0.163 0.000 2.097 604 Y HA -0.238 4.315 4.550 0.005 0.000 0.282 604 Y C 2.067 177.843 175.900 -0.207 0.000 1.152 604 Y CA 1.545 59.541 58.100 -0.173 0.000 1.136 604 Y CB -0.116 38.229 38.460 -0.193 0.000 0.975 604 Y HN -0.050 nan 8.280 nan 0.000 0.498 605 L N 0.197 121.203 121.223 -0.361 0.000 2.056 605 L HA -0.240 4.103 4.340 0.006 0.000 0.207 605 L C 2.281 178.788 176.870 -0.606 0.000 1.078 605 L CA 1.177 55.564 54.840 -0.755 0.000 0.749 605 L CB -0.706 40.480 42.059 -1.455 0.000 0.901 605 L HN 0.339 nan 8.230 nan 0.000 0.433 606 N N 0.056 118.617 118.700 -0.232 0.000 2.094 606 N HA -0.273 4.471 4.740 0.006 0.000 0.191 606 N C 1.765 177.259 175.510 -0.026 0.000 1.023 606 N CA 1.676 54.790 53.050 0.106 0.000 0.857 606 N CB -0.083 38.495 38.487 0.152 0.000 1.013 606 N HN 0.470 nan 8.380 nan 0.000 0.426 607 E N 0.648 120.769 120.200 -0.132 0.000 2.047 607 E HA -0.099 4.254 4.350 0.006 0.000 0.191 607 E C 1.560 178.052 176.600 -0.179 0.000 0.987 607 E CA 0.716 57.028 56.400 -0.147 0.000 0.799 607 E CB 0.049 29.642 29.700 -0.177 0.000 0.752 607 E HN -0.009 nan 8.360 nan 0.000 0.449 608 V N -0.031 119.699 119.914 -0.306 0.000 3.630 608 V HA -0.033 4.091 4.120 0.006 0.000 0.273 608 V C 0.960 176.992 176.094 -0.103 0.000 1.248 608 V CA 0.571 62.721 62.300 -0.250 0.000 1.170 608 V CB -0.099 31.472 31.823 -0.421 0.000 0.899 608 V HN 0.528 nan 8.190 nan 0.000 0.457 609 C N -0.416 118.851 119.300 -0.056 0.000 3.270 609 C HA 0.540 5.003 4.460 0.006 0.000 0.369 609 C C 1.773 176.786 174.990 0.039 0.000 1.326 609 C CA 0.180 59.221 59.018 0.039 0.000 1.846 609 C CB 0.003 27.843 27.740 0.167 0.000 2.534 609 C HN 0.729 nan 8.230 nan 0.000 0.649 610 G N 1.491 110.301 108.800 0.017 0.000 2.140 610 G HA2 -0.166 3.798 3.960 0.006 0.000 0.211 610 G HA3 -0.166 3.798 3.960 0.006 0.000 0.211 610 G C 0.039 174.957 174.900 0.029 0.000 1.013 610 G CA 0.626 45.734 45.100 0.013 0.000 0.705 610 G HN 0.521 nan 8.290 nan 0.000 0.508 611 T N -0.868 113.720 114.554 0.057 0.000 2.927 611 T HA 0.702 5.055 4.350 0.006 0.000 0.286 611 T C -1.163 173.572 174.700 0.059 0.000 1.040 611 T CA -0.267 61.870 62.100 0.063 0.000 1.010 611 T CB 2.025 70.948 68.868 0.092 0.000 1.177 611 T HN 0.180 nan 8.240 nan 0.000 0.546 612 E N -0.381 119.845 120.200 0.043 0.000 2.291 612 E HA 0.460 4.814 4.350 0.006 0.000 0.276 612 E C 0.291 176.906 176.600 0.025 0.000 0.896 612 E CA 0.306 56.725 56.400 0.032 0.000 0.774 612 E CB 1.300 31.007 29.700 0.012 0.000 1.227 612 E HN 1.049 nan 8.360 nan 0.000 0.413 613 G N 3.775 112.594 108.800 0.032 0.000 2.225 613 G HA2 -0.301 3.662 3.960 0.006 0.000 0.254 613 G HA3 -0.301 3.662 3.960 0.006 0.000 0.254 613 G C 0.390 175.295 174.900 0.009 0.000 0.988 613 G CA 0.663 45.774 45.100 0.018 0.000 0.625 613 G HN 0.469 nan 8.290 nan 0.000 0.527 614 E N 1.072 121.273 120.200 0.003 0.000 2.415 614 E HA 0.549 4.903 4.350 0.006 0.000 0.263 614 E C 0.568 177.113 176.600 -0.093 0.000 0.995 614 E CA 0.687 57.021 56.400 -0.109 0.000 0.915 614 E CB 0.600 30.159 29.700 -0.236 0.000 0.951 614 E HN 0.950 nan 8.360 nan 0.000 0.449 615 A N 5.294 128.030 122.820 -0.140 0.000 2.366 615 A HA 0.307 4.630 4.320 0.006 0.000 0.322 615 A C -0.137 177.392 177.584 -0.091 0.000 1.397 615 A CA -0.453 51.561 52.037 -0.039 0.000 0.984 615 A CB -0.237 18.759 19.000 -0.006 0.000 1.149 615 A HN 0.785 nan 8.150 nan 0.000 0.540 616 F N 2.110 122.083 119.950 0.038 0.000 2.270 616 F HA 0.021 4.551 4.527 0.005 0.000 0.295 616 F C 1.102 176.930 175.800 0.046 0.000 1.087 616 F CA 0.646 58.680 58.000 0.056 0.000 1.365 616 F CB 0.198 39.241 39.000 0.072 0.000 1.056 616 F HN 0.278 nan 8.300 nan 0.000 0.506 617 V N 4.389 124.433 119.914 0.216 0.000 2.405 617 V HA 0.003 4.126 4.120 0.006 0.000 0.264 617 V C 1.067 177.173 176.094 0.020 0.000 1.048 617 V CA -0.286 62.083 62.300 0.114 0.000 0.966 617 V CB 0.860 32.742 31.823 0.099 0.000 1.015 617 V HN 0.202 nan 8.190 nan 0.000 0.477 618 L N 4.076 125.242 121.223 -0.095 0.000 2.513 618 L HA 0.426 4.769 4.340 0.006 0.000 0.222 618 L C 0.070 176.763 176.870 -0.296 0.000 1.096 618 L CA 0.878 55.554 54.840 -0.274 0.000 0.857 618 L CB -0.731 40.947 42.059 -0.635 0.000 1.026 618 L HN 0.564 nan 8.230 nan 0.000 0.469 619 Y N -0.242 119.832 120.300 -0.376 0.000 2.604 619 Y HA 0.631 5.184 4.550 0.006 0.000 0.331 619 Y C -1.027 174.883 175.900 0.016 0.000 1.158 619 Y CA -0.366 57.544 58.100 -0.316 0.000 1.056 619 Y CB 1.826 39.819 38.460 -0.779 0.000 1.330 619 Y HN 0.075 nan 8.280 nan 0.000 0.457 620 G N 2.839 111.208 108.800 -0.717 0.000 2.755 620 G HA2 0.421 4.385 3.960 0.006 0.000 0.297 620 G HA3 0.421 4.385 3.960 0.006 0.000 0.297 620 G C -2.680 171.808 174.900 -0.687 0.000 1.441 620 G CA -0.614 44.224 45.100 -0.436 0.000 0.964 620 G HN 0.453 nan 8.290 nan 0.000 0.540 621 D N 0.974 121.176 120.400 -0.330 0.000 2.542 621 D HA 0.539 5.183 4.640 0.006 0.000 0.252 621 D C 1.182 177.500 176.300 0.030 0.000 1.222 621 D CA 0.555 54.466 54.000 -0.149 0.000 0.895 621 D CB 1.345 42.147 40.800 0.005 0.000 1.207 621 D HN 0.471 nan 8.370 nan 0.000 0.558 622 T N 2.635 117.233 114.554 0.073 0.000 12.940 622 T HA -0.289 4.064 4.350 0.006 0.000 0.419 622 T C 0.650 175.446 174.700 0.160 0.000 1.444 622 T CA 1.952 64.129 62.100 0.128 0.000 2.373 622 T CB -1.115 67.785 68.868 0.054 0.000 2.821 622 T HN 0.676 nan 8.240 nan 0.000 0.696 623 D N 0.759 121.234 120.400 0.124 0.000 2.530 623 D HA 0.271 4.915 4.640 0.006 0.000 0.253 623 D C -0.320 176.061 176.300 0.136 0.000 1.338 623 D CA 0.205 54.286 54.000 0.136 0.000 0.806 623 D CB 0.103 40.958 40.800 0.091 0.000 1.160 623 D HN 0.534 nan 8.370 nan 0.000 0.514 624 S N 0.822 116.597 115.700 0.125 0.000 2.532 624 S HA 0.768 5.241 4.470 0.006 0.000 0.301 624 S C 0.201 174.856 174.600 0.092 0.000 1.083 624 S CA -0.905 57.356 58.200 0.102 0.000 1.025 624 S CB 1.878 65.170 63.200 0.154 0.000 1.056 624 S HN 0.362 nan 8.310 nan 0.000 0.494 625 I N -1.099 119.500 120.570 0.048 0.000 2.646 625 I HA 0.678 4.851 4.170 0.006 0.000 0.299 625 I C -1.862 174.229 176.117 -0.042 0.000 1.036 625 I CA -1.151 60.198 61.300 0.082 0.000 1.074 625 I CB 1.367 39.437 38.000 0.117 0.000 1.258 625 I HN 0.504 nan 8.210 nan 0.000 0.430 626 Y N 4.197 124.551 120.300 0.089 0.000 2.328 626 Y HA 0.600 5.154 4.550 0.005 0.000 0.333 626 Y C -0.318 175.612 175.900 0.050 0.000 0.958 626 Y CA -0.840 57.307 58.100 0.078 0.000 1.167 626 Y CB 2.082 40.526 38.460 -0.025 0.000 1.151 626 Y HN 0.333 nan 8.280 nan 0.000 0.470 627 V N 2.696 122.768 119.914 0.263 0.000 2.427 627 V HA 0.261 4.385 4.120 0.006 0.000 0.286 627 V C 0.198 176.454 176.094 0.269 0.000 1.034 627 V CA -0.808 61.658 62.300 0.277 0.000 0.893 627 V CB 1.743 33.788 31.823 0.371 0.000 0.982 627 V HN 0.772 nan 8.190 nan 0.000 0.452 628 S N 3.656 119.505 115.700 0.248 0.000 2.465 628 S HA 0.391 4.864 4.470 0.006 0.000 0.280 628 S C 0.873 175.663 174.600 0.317 0.000 1.232 628 S CA 0.053 58.410 58.200 0.263 0.000 1.066 628 S CB 0.562 63.889 63.200 0.212 0.000 0.929 628 S HN 0.993 nan 8.310 nan 0.000 0.494 629 A N 4.375 127.368 122.820 0.289 0.000 2.460 629 A HA 0.254 4.578 4.320 0.006 0.000 0.258 629 A C 1.229 178.899 177.584 0.144 0.000 1.300 629 A CA -0.234 51.932 52.037 0.216 0.000 0.913 629 A CB -0.120 18.994 19.000 0.190 0.000 1.031 629 A HN 0.754 nan 8.150 nan 0.000 0.512 630 D N 0.966 121.488 120.400 0.204 0.000 2.104 630 D HA -0.148 4.496 4.640 0.006 0.000 0.194 630 D C 1.719 178.059 176.300 0.068 0.000 0.994 630 D CA 1.435 55.536 54.000 0.169 0.000 0.830 630 D CB -0.035 40.865 40.800 0.167 0.000 0.959 630 D HN 0.455 nan 8.370 nan 0.000 0.452 631 K N -0.090 120.373 120.400 0.105 0.000 2.211 631 K HA 0.001 4.324 4.320 0.006 0.000 0.203 631 K C 2.143 178.775 176.600 0.052 0.000 1.050 631 K CA 0.534 56.879 56.287 0.097 0.000 0.945 631 K CB 0.041 32.652 32.500 0.185 0.000 0.732 631 K HN 0.206 nan 8.250 nan 0.000 0.451 632 I N 0.740 121.320 120.570 0.016 0.000 2.286 632 I HA -0.230 3.943 4.170 0.006 0.000 0.245 632 I C 2.016 178.139 176.117 0.010 0.000 1.104 632 I CA 0.768 62.022 61.300 -0.077 0.000 1.397 632 I CB -0.255 37.553 38.000 -0.322 0.000 1.072 632 I HN 0.060 nan 8.210 nan 0.000 0.417 633 I N 0.996 121.512 120.570 -0.089 0.000 2.226 633 I HA -0.263 3.911 4.170 0.006 0.000 0.245 633 I C 2.040 178.091 176.117 -0.110 0.000 1.100 633 I CA 1.731 62.906 61.300 -0.208 0.000 1.374 633 I CB -1.144 36.396 38.000 -0.767 0.000 1.057 633 I HN 0.260 nan 8.210 nan 0.000 0.413 634 D N 0.933 121.288 120.400 -0.074 0.000 2.178 634 D HA -0.142 4.501 4.640 0.006 0.000 0.202 634 D C 2.198 178.475 176.300 -0.039 0.000 0.974 634 D CA 0.972 54.950 54.000 -0.037 0.000 0.841 634 D CB -0.072 40.725 40.800 -0.005 0.000 0.953 634 D HN 0.288 nan 8.370 nan 0.000 0.478 635 K N -0.011 120.370 120.400 -0.032 0.000 2.147 635 K HA -0.061 4.262 4.320 0.006 0.000 0.205 635 K C 1.905 178.453 176.600 -0.086 0.000 1.049 635 K CA 0.534 56.802 56.287 -0.032 0.000 0.936 635 K CB 0.267 32.770 32.500 0.005 0.000 0.722 635 K HN 0.010 nan 8.250 nan 0.000 0.446 636 V N -0.354 119.466 119.914 -0.157 0.000 2.339 636 V HA 0.034 4.157 4.120 0.006 0.000 0.234 636 V C 1.509 177.424 176.094 -0.298 0.000 1.053 636 V CA 1.642 63.753 62.300 -0.315 0.000 1.042 636 V CB -0.044 31.397 31.823 -0.637 0.000 0.678 636 V HN 0.442 nan 8.190 nan 0.000 0.475 637 G N -0.802 107.867 108.800 -0.219 0.000 3.286 637 G HA2 0.237 4.201 3.960 0.006 0.000 0.166 637 G HA3 0.237 4.201 3.960 0.006 0.000 0.166 637 G C 0.284 175.179 174.900 -0.009 0.000 1.155 637 G CA 0.071 45.088 45.100 -0.139 0.000 0.871 637 G HN 0.372 nan 8.290 nan 0.000 0.637 638 E N 1.183 121.420 120.200 0.063 0.000 2.526 638 E HA 0.011 4.365 4.350 0.006 0.000 0.198 638 E C 2.206 178.882 176.600 0.127 0.000 1.091 638 E CA 0.643 57.168 56.400 0.209 0.000 0.880 638 E CB 0.001 29.791 29.700 0.151 0.000 0.873 638 E HN 0.229 nan 8.360 nan 0.000 0.527 639 S N 1.657 117.355 115.700 -0.004 0.000 2.445 639 S HA -0.330 4.144 4.470 0.006 0.000 0.293 639 S C 1.585 176.183 174.600 -0.005 0.000 1.163 639 S CA 2.619 60.803 58.200 -0.026 0.000 1.287 639 S CB -0.260 62.897 63.200 -0.071 0.000 1.234 639 S HN 0.418 nan 8.310 nan 0.000 0.446 640 K N -3.049 117.324 120.400 -0.044 0.000 3.261 640 K HA 0.036 4.359 4.320 0.006 0.000 0.298 640 K C -1.032 175.344 176.600 -0.373 0.000 0.815 640 K CA 0.352 56.504 56.287 -0.226 0.000 1.271 640 K CB -0.767 31.526 32.500 -0.345 0.000 1.261 640 K HN 0.278 nan 8.250 nan 0.000 0.683 641 F N 1.898 121.848 119.950 0.000 0.000 2.443 641 F HA 0.447 4.977 4.527 0.005 0.000 0.335 641 F C 1.427 177.357 175.800 0.218 0.000 1.104 641 F CA -0.798 57.255 58.000 0.088 0.000 1.013 641 F CB 1.475 40.487 39.000 0.021 0.000 1.136 641 F HN -0.140 nan 8.300 nan 0.000 0.470 642 R N 0.467 121.306 120.500 0.565 0.000 2.066 642 R HA -0.008 4.336 4.340 0.006 0.000 0.232 642 R C -0.497 175.923 176.300 0.201 0.000 1.131 642 R CA 1.309 57.559 56.100 0.249 0.000 0.955 642 R CB -0.344 30.009 30.300 0.088 0.000 0.851 642 R HN 0.711 nan 8.270 nan 0.000 0.432 643 D N -2.867 117.666 120.400 0.221 0.000 2.752 643 D HA 0.124 4.767 4.640 0.006 0.000 0.313 643 D C 0.278 176.583 176.300 0.009 0.000 1.225 643 D CA -0.710 53.350 54.000 0.100 0.000 0.976 643 D CB 0.331 41.148 40.800 0.027 0.000 1.443 643 D HN -0.298 nan 8.370 nan 0.000 0.515 644 T N -0.319 114.122 114.554 -0.187 0.000 2.652 644 T HA -0.173 4.181 4.350 0.006 0.000 0.267 644 T C 1.447 175.538 174.700 -1.014 0.000 1.039 644 T CA 2.027 63.721 62.100 -0.678 0.000 1.153 644 T CB -0.603 67.709 68.868 -0.926 0.000 0.863 644 T HN 0.536 nan 8.240 nan 0.000 0.428 645 N N 0.225 118.593 118.700 -0.552 0.000 2.334 645 N HA -0.144 4.599 4.740 0.006 0.000 0.187 645 N C 1.594 176.969 175.510 -0.225 0.000 1.016 645 N CA 1.227 54.050 53.050 -0.379 0.000 0.879 645 N CB -0.215 38.181 38.487 -0.152 0.000 0.965 645 N HN 0.636 nan 8.380 nan 0.000 0.438 646 H N -1.181 117.745 119.070 -0.241 0.000 2.333 646 H HA -0.098 4.462 4.556 0.008 0.000 0.302 646 H C 1.800 177.163 175.328 0.059 0.000 1.075 646 H CA 1.391 57.445 56.048 0.009 0.000 1.348 646 H CB -0.195 29.679 29.762 0.186 0.000 1.393 646 H HN 0.526 nan 8.280 nan 0.000 0.509 647 W N 0.785 121.884 121.300 -0.336 0.000 2.467 647 W HA -0.015 4.649 4.660 0.007 0.000 0.275 647 W C 1.224 177.626 176.519 -0.196 0.000 1.239 647 W CA 0.586 57.508 57.345 -0.706 0.000 1.266 647 W CB -0.882 27.665 29.460 -1.521 0.000 1.112 647 W HN -0.002 nan 8.180 nan 0.000 0.576 648 V N 2.119 121.662 119.914 -0.618 0.000 2.515 648 V HA -0.271 3.852 4.120 0.006 0.000 0.250 648 V C 2.101 178.155 176.094 -0.066 0.000 1.058 648 V CA 2.382 64.424 62.300 -0.430 0.000 1.064 648 V CB -0.877 30.535 31.823 -0.685 0.000 0.675 648 V HN -0.027 nan 8.190 nan 0.000 0.461 649 D N -0.382 120.018 120.400 -0.000 0.000 2.123 649 D HA -0.129 4.514 4.640 0.006 0.000 0.200 649 D C 1.843 178.262 176.300 0.199 0.000 0.976 649 D CA 1.046 55.111 54.000 0.109 0.000 0.831 649 D CB -0.268 40.625 40.800 0.154 0.000 0.974 649 D HN 0.454 nan 8.370 nan 0.000 0.469 650 F N 1.258 121.293 119.950 0.141 0.000 2.134 650 F HA -0.101 4.429 4.527 0.005 0.000 0.299 650 F C 1.964 177.887 175.800 0.206 0.000 1.097 650 F CA 1.155 59.272 58.000 0.195 0.000 1.264 650 F CB -0.202 38.957 39.000 0.264 0.000 1.001 650 F HN -0.109 nan 8.300 nan 0.000 0.479 651 L N -0.088 121.189 121.223 0.089 0.000 2.109 651 L HA -0.150 4.193 4.340 0.006 0.000 0.207 651 L C 2.097 179.015 176.870 0.080 0.000 1.086 651 L CA 1.634 56.502 54.840 0.047 0.000 0.760 651 L CB -0.788 41.410 42.059 0.232 0.000 0.910 651 L HN 0.163 nan 8.230 nan 0.000 0.437 652 D N 0.425 120.869 120.400 0.073 0.000 2.144 652 D HA -0.229 4.414 4.640 0.006 0.000 0.199 652 D C 2.180 178.508 176.300 0.047 0.000 0.984 652 D CA 1.311 55.343 54.000 0.053 0.000 0.834 652 D CB 0.177 41.000 40.800 0.037 0.000 0.955 652 D HN 0.035 nan 8.370 nan 0.000 0.465 653 K N -1.255 119.168 120.400 0.038 0.000 2.057 653 K HA -0.115 4.209 4.320 0.006 0.000 0.206 653 K C 2.058 178.661 176.600 0.005 0.000 1.050 653 K CA 0.761 57.064 56.287 0.028 0.000 0.935 653 K CB -0.321 32.214 32.500 0.058 0.000 0.715 653 K HN 0.162 nan 8.250 nan 0.000 0.439 654 F N 0.897 120.719 119.950 -0.212 0.000 2.206 654 F HA -0.064 4.466 4.527 0.005 0.000 0.298 654 F C 1.932 177.718 175.800 -0.022 0.000 1.090 654 F CA 1.260 59.143 58.000 -0.195 0.000 1.323 654 F CB -0.177 38.579 39.000 -0.407 0.000 1.028 654 F HN 0.055 nan 8.300 nan 0.000 0.492 655 A N 0.384 123.321 122.820 0.196 0.000 1.873 655 A HA -0.181 4.142 4.320 0.006 0.000 0.215 655 A C 2.328 179.994 177.584 0.137 0.000 1.186 655 A CA 1.746 53.942 52.037 0.266 0.000 0.616 655 A CB -0.747 18.398 19.000 0.243 0.000 0.823 655 A HN 0.442 nan 8.150 nan 0.000 0.442 656 R N -0.589 119.947 120.500 0.060 0.000 2.093 656 R HA -0.028 4.315 4.340 0.006 0.000 0.224 656 R C 1.808 178.090 176.300 -0.031 0.000 1.101 656 R CA 1.455 57.571 56.100 0.028 0.000 0.979 656 R CB -0.095 30.218 30.300 0.022 0.000 0.877 656 R HN 0.636 nan 8.270 nan 0.000 0.441 657 E N -1.016 119.141 120.200 -0.071 0.000 2.340 657 E HA 0.026 4.379 4.350 0.006 0.000 0.194 657 E C 1.744 178.247 176.600 -0.162 0.000 0.996 657 E CA 0.240 56.586 56.400 -0.091 0.000 0.869 657 E CB 0.525 30.188 29.700 -0.061 0.000 0.835 657 E HN 0.142 nan 8.360 nan 0.000 0.493 658 R N -0.558 119.767 120.500 -0.292 0.000 2.194 658 R HA 0.277 4.620 4.340 0.006 0.000 0.194 658 R C 2.063 178.085 176.300 -0.462 0.000 0.985 658 R CA 0.339 56.206 56.100 -0.388 0.000 1.104 658 R CB 0.007 29.867 30.300 -0.734 0.000 1.092 658 R HN 0.144 nan 8.270 nan 0.000 0.555 659 M N 0.592 119.924 119.600 -0.446 0.000 2.299 659 M HA 0.009 4.493 4.480 0.006 0.000 0.264 659 M C 1.770 177.816 176.300 -0.423 0.000 1.095 659 M CA 1.440 56.452 55.300 -0.480 0.000 1.165 659 M CB -0.079 32.370 32.600 -0.251 0.000 1.349 659 M HN 0.084 nan 8.290 nan 0.000 0.446 660 E N 0.247 120.331 120.200 -0.193 0.000 2.085 660 E HA -0.191 4.163 4.350 0.006 0.000 0.194 660 E C -0.873 175.661 176.600 -0.109 0.000 0.994 660 E CA 1.274 57.621 56.400 -0.088 0.000 0.801 660 E CB -1.001 28.730 29.700 0.052 0.000 0.743 660 E HN 0.368 nan 8.360 nan 0.000 0.453 661 P HA -0.167 nan 4.420 nan 0.000 0.218 661 P C 0.869 178.055 177.300 -0.190 0.000 1.148 661 P CA 1.671 64.693 63.100 -0.129 0.000 0.822 661 P CB 0.057 31.678 31.700 -0.131 0.000 0.784 662 A N -1.107 121.491 122.820 -0.371 0.000 1.930 662 A HA -0.079 4.244 4.320 0.006 0.000 0.215 662 A C 2.155 179.537 177.584 -0.336 0.000 1.176 662 A CA 0.974 52.724 52.037 -0.478 0.000 0.632 662 A CB -1.415 16.917 19.000 -1.113 0.000 0.819 662 A HN 0.098 nan 8.150 nan 0.000 0.445 663 I N -0.316 120.072 120.570 -0.304 0.000 2.252 663 I HA -0.227 3.946 4.170 0.006 0.000 0.245 663 I C 2.198 178.325 176.117 0.016 0.000 1.102 663 I CA 1.836 63.022 61.300 -0.189 0.000 1.385 663 I CB -0.211 37.692 38.000 -0.161 0.000 1.064 663 I HN 0.357 nan 8.210 nan 0.000 0.414 664 D N 0.563 121.008 120.400 0.076 0.000 2.117 664 D HA -0.149 4.494 4.640 0.006 0.000 0.198 664 D C 2.369 178.712 176.300 0.071 0.000 0.982 664 D CA 1.220 55.335 54.000 0.193 0.000 0.828 664 D CB 0.116 41.027 40.800 0.184 0.000 0.967 664 D HN 0.083 nan 8.370 nan 0.000 0.464 665 R N -0.365 120.128 120.500 -0.011 0.000 2.081 665 R HA -0.038 4.305 4.340 0.006 0.000 0.235 665 R C 2.452 178.756 176.300 0.006 0.000 1.131 665 R CA 1.232 57.315 56.100 -0.029 0.000 0.960 665 R CB -0.542 29.726 30.300 -0.055 0.000 0.856 665 R HN 0.229 nan 8.270 nan 0.000 0.436 666 G N 0.342 109.134 108.800 -0.014 0.000 2.418 666 G HA2 -0.247 3.717 3.960 0.006 0.000 0.217 666 G HA3 -0.247 3.717 3.960 0.006 0.000 0.217 666 G C 1.071 176.103 174.900 0.219 0.000 1.158 666 G CA 0.556 45.691 45.100 0.058 0.000 0.771 666 G HN 0.162 nan 8.290 nan 0.000 0.545 667 F N 0.791 120.826 119.950 0.141 0.000 2.293 667 F HA 0.210 4.740 4.527 0.005 0.000 0.297 667 F C 2.827 178.551 175.800 -0.126 0.000 1.089 667 F CA 0.508 58.531 58.000 0.039 0.000 1.377 667 F CB -0.210 38.883 39.000 0.156 0.000 1.051 667 F HN -0.006 nan 8.300 nan 0.000 0.511 668 R N -0.003 120.445 120.500 -0.086 0.000 2.120 668 R HA -0.185 4.158 4.340 0.006 0.000 0.234 668 R C 2.125 178.388 176.300 -0.061 0.000 1.123 668 R CA 1.470 57.417 56.100 -0.254 0.000 0.975 668 R CB -0.430 29.712 30.300 -0.263 0.000 0.866 668 R HN 0.360 nan 8.270 nan 0.000 0.446 669 E N 0.694 120.915 120.200 0.035 0.000 2.072 669 E HA -0.195 4.158 4.350 0.006 0.000 0.191 669 E C 1.992 178.607 176.600 0.025 0.000 0.985 669 E CA 0.935 57.395 56.400 0.101 0.000 0.801 669 E CB 0.036 29.884 29.700 0.245 0.000 0.750 669 E HN 0.219 nan 8.360 nan 0.000 0.452 670 M N 0.292 119.766 119.600 -0.211 0.000 2.175 670 M HA -0.163 4.320 4.480 0.006 0.000 0.264 670 M C 2.516 178.667 176.300 -0.248 0.000 1.063 670 M CA 1.186 56.068 55.300 -0.697 0.000 1.119 670 M CB -0.229 31.552 32.600 -1.364 0.000 1.377 670 M HN 0.347 nan 8.290 nan 0.000 0.415 671 C N 1.183 120.435 119.300 -0.080 0.000 2.432 671 C HA -0.156 4.307 4.460 0.006 0.000 0.277 671 C C 2.276 177.274 174.990 0.015 0.000 1.249 671 C CA 1.630 60.659 59.018 0.017 0.000 1.725 671 C CB -1.043 26.734 27.740 0.062 0.000 2.028 671 C HN 0.622 nan 8.230 nan 0.000 0.477 672 E N -1.155 119.057 120.200 0.019 0.000 2.085 672 E HA -0.235 4.119 4.350 0.006 0.000 0.194 672 E C 2.007 178.658 176.600 0.085 0.000 0.994 672 E CA 1.672 58.097 56.400 0.041 0.000 0.801 672 E CB -0.484 29.241 29.700 0.042 0.000 0.743 672 E HN 0.812 nan 8.360 nan 0.000 0.453 673 Y N 0.819 121.071 120.300 -0.079 0.000 2.128 673 Y HA -0.202 4.352 4.550 0.006 0.000 0.284 673 Y C 1.975 177.815 175.900 -0.100 0.000 1.154 673 Y CA 1.325 59.379 58.100 -0.077 0.000 1.149 673 Y CB -0.059 38.334 38.460 -0.111 0.000 0.976 673 Y HN 0.009 nan 8.280 nan 0.000 0.505 674 M N 0.147 119.663 119.600 -0.140 0.000 2.595 674 M HA -0.009 4.475 4.480 0.006 0.000 0.248 674 M C 0.666 176.917 176.300 -0.081 0.000 1.119 674 M CA 0.725 55.912 55.300 -0.189 0.000 1.079 674 M CB -1.612 30.952 32.600 -0.061 0.000 1.472 674 M HN 0.385 nan 8.290 nan 0.000 0.501 675 N N 2.365 121.044 118.700 -0.035 0.000 2.738 675 N HA -0.201 4.542 4.740 0.006 0.000 0.249 675 N C -0.896 174.619 175.510 0.008 0.000 1.047 675 N CA 0.349 53.391 53.050 -0.013 0.000 0.707 675 N CB -1.433 37.034 38.487 -0.033 0.000 0.937 675 N HN 0.527 nan 8.380 nan 0.000 0.545 676 N N 0.132 118.840 118.700 0.013 0.000 2.424 676 N HA 0.117 4.861 4.740 0.006 0.000 0.257 676 N C 1.224 176.728 175.510 -0.010 0.000 1.250 676 N CA -0.341 52.707 53.050 -0.004 0.000 0.946 676 N CB 0.686 39.160 38.487 -0.021 0.000 1.175 676 N HN 0.247 nan 8.380 nan 0.000 0.477 677 K N 0.270 120.649 120.400 -0.034 0.000 2.002 677 K HA -0.162 4.161 4.320 0.006 0.000 0.209 677 K C -0.002 176.584 176.600 -0.023 0.000 1.048 677 K CA 1.402 57.676 56.287 -0.023 0.000 0.930 677 K CB 0.158 32.634 32.500 -0.040 0.000 0.714 677 K HN 0.670 nan 8.250 nan 0.000 0.438 678 Q N -1.089 118.679 119.800 -0.053 0.000 2.377 678 Q HA 0.158 4.501 4.340 0.006 0.000 0.279 678 Q C -1.439 174.529 176.000 -0.053 0.000 1.049 678 Q CA -1.059 54.727 55.803 -0.028 0.000 0.825 678 Q CB 1.164 29.885 28.738 -0.029 0.000 1.401 678 Q HN 0.153 nan 8.270 nan 0.000 0.404 679 H N 2.613 121.632 119.070 -0.084 0.000 2.955 679 H HA 0.279 4.838 4.556 0.006 0.000 0.290 679 H C -0.700 174.438 175.328 -0.318 0.000 1.047 679 H CA 0.283 56.249 56.048 -0.137 0.000 1.484 679 H CB 0.396 30.143 29.762 -0.024 0.000 1.501 679 H HN 0.723 nan 8.280 nan 0.000 0.521 680 L N 4.747 125.378 121.223 -0.986 0.000 3.410 680 L HA 0.190 4.534 4.340 0.006 0.000 0.309 680 L C -0.364 175.583 176.870 -1.537 0.000 1.254 680 L CA -0.170 53.831 54.840 -1.400 0.000 1.048 680 L CB 0.365 41.980 42.059 -0.740 0.000 1.442 680 L HN 0.620 nan 8.230 nan 0.000 0.615 681 M N 1.559 120.415 119.600 -1.241 0.000 2.557 681 M HA 0.264 4.747 4.480 0.006 0.000 0.328 681 M C -1.098 174.766 176.300 -0.727 0.000 1.423 681 M CA 0.330 55.050 55.300 -0.967 0.000 1.418 681 M CB -0.659 31.216 32.600 -1.208 0.000 1.381 681 M HN -0.121 nan 8.290 nan 0.000 0.467 682 F N 3.388 123.176 119.950 -0.271 0.000 2.347 682 F HA 0.481 5.012 4.527 0.006 0.000 0.366 682 F C 0.325 176.129 175.800 0.007 0.000 1.107 682 F CA -1.040 56.911 58.000 -0.083 0.000 1.058 682 F CB 0.890 39.847 39.000 -0.070 0.000 1.236 682 F HN 0.437 nan 8.300 nan 0.000 0.456 683 M N 4.777 124.556 119.600 0.300 0.000 2.060 683 M HA 0.373 4.857 4.480 0.006 0.000 0.342 683 M C -1.280 175.207 176.300 0.311 0.000 1.031 683 M CA -0.412 55.063 55.300 0.292 0.000 0.981 683 M CB 0.140 32.974 32.600 0.390 0.000 1.376 683 M HN 0.380 nan 8.290 nan 0.000 0.397 684 D N 3.628 124.178 120.400 0.251 0.000 2.283 684 D HA 0.209 4.852 4.640 0.006 0.000 0.248 684 D C -0.135 176.287 176.300 0.203 0.000 1.072 684 D CA -0.219 53.909 54.000 0.214 0.000 0.929 684 D CB 1.131 41.998 40.800 0.112 0.000 1.182 684 D HN 0.563 nan 8.370 nan 0.000 0.433 685 R N 1.288 121.844 120.500 0.094 0.000 2.522 685 R HA -0.055 4.289 4.340 0.006 0.000 0.284 685 R C 0.536 176.715 176.300 -0.201 0.000 1.032 685 R CA 0.424 56.319 56.100 -0.342 0.000 1.049 685 R CB 0.618 30.705 30.300 -0.355 0.000 0.956 685 R HN 0.552 nan 8.270 nan 0.000 0.422 686 E N 3.120 123.166 120.200 -0.256 0.000 2.098 686 E HA 0.233 4.587 4.350 0.006 0.000 0.196 686 E C -0.704 175.848 176.600 -0.081 0.000 0.955 686 E CA 0.406 56.737 56.400 -0.115 0.000 0.936 686 E CB 0.268 29.920 29.700 -0.081 0.000 1.054 686 E HN 0.683 nan 8.360 nan 0.000 0.482 687 A N 0.643 123.422 122.820 -0.069 0.000 2.340 687 A HA 0.651 4.974 4.320 0.006 0.000 0.331 687 A C -0.883 176.746 177.584 0.075 0.000 1.140 687 A CA -0.597 51.471 52.037 0.052 0.000 0.801 687 A CB 0.743 19.839 19.000 0.160 0.000 1.234 687 A HN 0.363 nan 8.150 nan 0.000 0.469 688 I N 1.783 122.455 120.570 0.170 0.000 2.382 688 I HA 0.546 4.719 4.170 0.006 0.000 0.285 688 I C 0.321 176.715 176.117 0.461 0.000 1.007 688 I CA -0.143 61.328 61.300 0.285 0.000 1.142 688 I CB 1.679 39.830 38.000 0.251 0.000 1.289 688 I HN 0.710 nan 8.210 nan 0.000 0.453 689 A N 4.662 127.793 122.820 0.519 0.000 2.374 689 A HA 1.024 5.348 4.320 0.006 0.000 0.317 689 A C -0.173 177.805 177.584 0.656 0.000 1.094 689 A CA -0.473 51.902 52.037 0.564 0.000 0.765 689 A CB 1.808 21.030 19.000 0.370 0.000 1.268 689 A HN 0.856 nan 8.150 nan 0.000 0.438 690 G N 0.236 109.460 108.800 0.707 0.000 2.322 690 G HA2 0.581 4.545 3.960 0.006 0.000 0.295 690 G HA3 0.581 4.545 3.960 0.006 0.000 0.295 690 G C -3.638 171.564 174.900 0.505 0.000 1.369 690 G CA -0.682 44.610 45.100 0.321 0.000 0.821 690 G HN 0.559 nan 8.290 nan 0.000 0.536 691 P HA 0.411 nan 4.420 nan 0.000 0.276 691 P C -2.666 174.926 177.300 0.488 0.000 1.244 691 P CA -1.587 61.672 63.100 0.265 0.000 0.801 691 P CB 0.241 31.957 31.700 0.028 0.000 1.006 692 P HA 0.037 nan 4.420 nan 0.000 0.264 692 P C 0.114 177.575 177.300 0.268 0.000 1.193 692 P CA 0.180 63.544 63.100 0.441 0.000 0.763 692 P CB 0.233 32.189 31.700 0.427 0.000 0.810 693 L N 3.314 124.685 121.223 0.247 0.000 2.578 693 L HA 0.007 4.351 4.340 0.006 0.000 0.279 693 L C 1.525 178.489 176.870 0.157 0.000 1.227 693 L CA 1.498 56.479 54.840 0.235 0.000 0.900 693 L CB -0.577 41.638 42.059 0.260 0.000 1.144 693 L HN 0.843 nan 8.230 nan 0.000 0.496 694 G N 2.324 111.202 108.800 0.130 0.000 2.179 694 G HA2 -0.313 3.651 3.960 0.006 0.000 0.260 694 G HA3 -0.313 3.651 3.960 0.006 0.000 0.260 694 G C 0.369 175.322 174.900 0.089 0.000 0.977 694 G CA 0.494 45.654 45.100 0.100 0.000 0.641 694 G HN 0.871 nan 8.290 nan 0.000 0.533 695 S N -0.849 114.912 115.700 0.102 0.000 2.686 695 S HA 0.670 5.144 4.470 0.006 0.000 0.270 695 S C 0.732 175.372 174.600 0.067 0.000 1.194 695 S CA 0.158 58.413 58.200 0.092 0.000 0.990 695 S CB 1.377 64.650 63.200 0.121 0.000 1.029 695 S HN 0.268 nan 8.310 nan 0.000 0.560 696 K N 0.210 120.645 120.400 0.060 0.000 2.498 696 K HA 0.255 4.578 4.320 0.006 0.000 0.207 696 K C 0.822 177.447 176.600 0.040 0.000 1.033 696 K CA -0.153 56.159 56.287 0.043 0.000 1.138 696 K CB 0.167 32.690 32.500 0.039 0.000 0.860 696 K HN 0.712 nan 8.250 nan 0.000 0.490 697 G N 1.178 110.011 108.800 0.054 0.000 2.594 697 G HA2 0.116 4.079 3.960 0.006 0.000 0.243 697 G HA3 0.116 4.079 3.960 0.006 0.000 0.243 697 G C 0.871 175.787 174.900 0.027 0.000 1.229 697 G CA -0.498 44.635 45.100 0.056 0.000 0.843 697 G HN 0.345 nan 8.290 nan 0.000 0.578 698 I N -1.184 119.410 120.570 0.039 0.000 3.783 698 I HA 0.354 4.527 4.170 0.006 0.000 0.310 698 I C 1.657 177.795 176.117 0.034 0.000 1.274 698 I CA 0.594 61.911 61.300 0.029 0.000 1.294 698 I CB 0.204 38.238 38.000 0.057 0.000 1.051 698 I HN 0.813 nan 8.210 nan 0.000 0.435 699 G N 1.385 110.220 108.800 0.058 0.000 2.640 699 G HA2 -0.187 3.776 3.960 0.006 0.000 0.226 699 G HA3 -0.187 3.776 3.960 0.006 0.000 0.226 699 G C 0.500 175.468 174.900 0.113 0.000 1.222 699 G CA -0.038 45.107 45.100 0.075 0.000 0.729 699 G HN 1.173 nan 8.290 nan 0.000 0.516 700 G N -1.084 107.811 108.800 0.157 0.000 2.506 700 G HA2 0.834 4.798 3.960 0.006 0.000 0.292 700 G HA3 0.834 4.798 3.960 0.006 0.000 0.292 700 G C -1.047 174.039 174.900 0.309 0.000 1.425 700 G CA 0.043 45.222 45.100 0.131 0.000 0.788 700 G HN 1.739 nan 8.290 nan 0.000 0.490 701 F N -2.234 117.774 119.950 0.096 0.000 2.678 701 F HA 0.818 5.348 4.527 0.005 0.000 0.308 701 F C -1.707 174.165 175.800 0.120 0.000 1.118 701 F CA -1.997 56.139 58.000 0.225 0.000 0.959 701 F CB 1.439 40.487 39.000 0.079 0.000 1.305 701 F HN 0.546 nan 8.300 nan 0.000 0.443 702 W N 2.094 123.586 121.300 0.320 0.000 2.666 702 W HA 0.367 5.030 4.660 0.005 0.000 0.334 702 W C 0.378 177.053 176.519 0.260 0.000 1.051 702 W CA -0.170 57.252 57.345 0.128 0.000 1.224 702 W CB 2.666 32.104 29.460 -0.037 0.000 1.405 702 W HN 0.883 nan 8.180 nan 0.000 0.513 703 T N -0.511 114.248 114.554 0.341 0.000 2.990 703 T HA 0.440 4.794 4.350 0.006 0.000 0.250 703 T C 0.532 175.358 174.700 0.209 0.000 1.041 703 T CA 0.712 62.985 62.100 0.288 0.000 1.010 703 T CB 0.951 69.993 68.868 0.290 0.000 1.003 703 T HN 0.585 nan 8.240 nan 0.000 0.499 704 G N 0.445 109.364 108.800 0.198 0.000 2.317 704 G HA2 0.355 4.318 3.960 0.006 0.000 0.293 704 G HA3 0.355 4.318 3.960 0.006 0.000 0.293 704 G C -1.870 173.110 174.900 0.134 0.000 1.287 704 G CA -1.195 43.996 45.100 0.151 0.000 0.850 704 G HN 0.270 nan 8.290 nan 0.000 0.515 705 K N 0.936 121.423 120.400 0.144 0.000 2.484 705 K HA 0.237 4.560 4.320 0.006 0.000 0.280 705 K C 0.315 177.023 176.600 0.180 0.000 1.013 705 K CA 0.705 57.120 56.287 0.214 0.000 1.029 705 K CB 0.263 32.881 32.500 0.197 0.000 0.902 705 K HN 0.608 nan 8.250 nan 0.000 0.481 706 K N 1.389 121.955 120.400 0.277 0.000 3.130 706 K HA -0.265 4.058 4.320 0.006 0.000 0.282 706 K C -0.703 175.929 176.600 0.053 0.000 1.145 706 K CA 1.074 57.500 56.287 0.232 0.000 0.831 706 K CB -0.978 31.622 32.500 0.166 0.000 1.226 706 K HN 0.589 nan 8.250 nan 0.000 0.478 707 R N 0.424 120.930 120.500 0.010 0.000 2.507 707 R HA 0.371 4.715 4.340 0.006 0.000 0.298 707 R C -0.988 175.122 176.300 -0.316 0.000 1.087 707 R CA -0.838 55.176 56.100 -0.143 0.000 0.917 707 R CB 0.903 31.193 30.300 -0.016 0.000 1.173 707 R HN 0.242 nan 8.270 nan 0.000 0.472 708 Y N -0.915 118.941 120.300 -0.739 0.000 2.677 708 Y HA 0.795 5.348 4.550 0.005 0.000 0.334 708 Y C -1.931 173.297 175.900 -1.121 0.000 1.196 708 Y CA -1.367 55.984 58.100 -1.248 0.000 1.059 708 Y CB 1.289 38.365 38.460 -2.307 0.000 1.315 708 Y HN 0.495 nan 8.280 nan 0.000 0.455 709 A N 2.429 124.534 122.820 -1.192 0.000 2.422 709 A HA 0.882 5.206 4.320 0.006 0.000 0.302 709 A C -1.994 175.222 177.584 -0.614 0.000 1.041 709 A CA -0.822 50.659 52.037 -0.928 0.000 0.708 709 A CB 1.375 19.714 19.000 -1.102 0.000 1.257 709 A HN 0.804 nan 8.150 nan 0.000 0.414 710 L N 1.078 122.101 121.223 -0.335 0.000 2.409 710 L HA 0.480 4.823 4.340 0.006 0.000 0.262 710 L C -0.535 176.281 176.870 -0.090 0.000 0.992 710 L CA -0.930 53.839 54.840 -0.119 0.000 0.817 710 L CB 2.526 44.605 42.059 0.034 0.000 1.350 710 L HN 0.756 nan 8.230 nan 0.000 0.411 711 N N 1.155 119.846 118.700 -0.014 0.000 2.527 711 N HA 0.393 5.137 4.740 0.006 0.000 0.236 711 N C -1.208 174.247 175.510 -0.091 0.000 0.999 711 N CA -0.239 52.757 53.050 -0.089 0.000 0.935 711 N CB 1.025 39.489 38.487 -0.037 0.000 1.132 711 N HN 0.274 nan 8.380 nan 0.000 0.511 712 V N 3.852 123.669 119.914 -0.162 0.000 2.509 712 V HA 0.247 4.370 4.120 0.006 0.000 0.284 712 V C 0.257 176.273 176.094 -0.129 0.000 1.047 712 V CA -0.317 61.983 62.300 0.001 0.000 0.952 712 V CB 1.235 33.130 31.823 0.120 0.000 0.988 712 V HN 0.773 nan 8.190 nan 0.000 0.469 713 W N 0.548 121.975 121.300 0.211 0.000 2.842 713 W HA 0.316 4.979 4.660 0.005 0.000 0.267 713 W C 0.642 177.213 176.519 0.088 0.000 1.219 713 W CA -0.084 57.352 57.345 0.152 0.000 1.458 713 W CB 0.707 30.146 29.460 -0.036 0.000 1.006 713 W HN 0.462 nan 8.180 nan 0.000 0.603 714 D N 0.407 120.940 120.400 0.222 0.000 2.990 714 D HA 0.274 4.918 4.640 0.006 0.000 0.227 714 D C -1.531 174.765 176.300 -0.007 0.000 1.249 714 D CA -0.402 53.585 54.000 -0.021 0.000 0.891 714 D CB 1.745 42.545 40.800 0.000 0.000 1.647 714 D HN -0.197 nan 8.370 nan 0.000 0.530 715 M N 3.266 122.780 119.600 -0.144 0.000 2.106 715 M HA 0.250 4.733 4.480 0.006 0.000 0.288 715 M C -0.239 176.015 176.300 -0.076 0.000 0.941 715 M CA 0.067 55.349 55.300 -0.029 0.000 0.934 715 M CB 0.966 33.638 32.600 0.120 0.000 1.551 715 M HN 0.449 nan 8.290 nan 0.000 0.437 716 E N 3.186 123.357 120.200 -0.049 0.000 2.660 716 E HA -0.264 4.089 4.350 0.006 0.000 0.260 716 E C 0.739 177.299 176.600 -0.068 0.000 1.122 716 E CA 1.042 57.412 56.400 -0.050 0.000 0.755 716 E CB -1.657 28.024 29.700 -0.032 0.000 1.345 716 E HN 1.329 nan 8.360 nan 0.000 0.421 717 G N -0.960 107.788 108.800 -0.087 0.000 2.179 717 G HA2 -0.269 3.694 3.960 0.006 0.000 0.220 717 G HA3 -0.269 3.694 3.960 0.006 0.000 0.220 717 G C 0.259 175.080 174.900 -0.131 0.000 0.990 717 G CA 0.167 45.214 45.100 -0.088 0.000 0.646 717 G HN 0.223 nan 8.290 nan 0.000 0.517 718 T N 1.331 115.762 114.554 -0.206 0.000 2.739 718 T HA 0.515 4.869 4.350 0.006 0.000 0.298 718 T C 0.320 174.723 174.700 -0.495 0.000 0.929 718 T CA -0.190 61.720 62.100 -0.316 0.000 1.014 718 T CB 1.323 69.984 68.868 -0.346 0.000 0.914 718 T HN 0.424 nan 8.240 nan 0.000 0.509 719 R N 3.454 123.776 120.500 -0.296 0.000 2.210 719 R HA 0.279 4.622 4.340 0.006 0.000 0.338 719 R C -1.106 175.102 176.300 -0.154 0.000 1.062 719 R CA -0.549 55.426 56.100 -0.208 0.000 0.902 719 R CB -0.391 29.870 30.300 -0.065 0.000 1.050 719 R HN 0.469 nan 8.270 nan 0.000 0.461 720 Y N 2.493 122.831 120.300 0.064 0.000 2.346 720 Y HA 0.184 4.737 4.550 0.005 0.000 0.330 720 Y C 1.555 177.507 175.900 0.087 0.000 1.178 720 Y CA 0.221 58.349 58.100 0.046 0.000 1.331 720 Y CB 0.887 39.345 38.460 -0.005 0.000 1.253 720 Y HN 0.763 nan 8.280 nan 0.000 0.529 721 A N 1.590 124.561 122.820 0.252 0.000 1.933 721 A HA -0.057 4.266 4.320 0.006 0.000 0.218 721 A C 0.582 178.303 177.584 0.229 0.000 1.175 721 A CA 1.230 53.405 52.037 0.231 0.000 0.628 721 A CB -0.173 18.945 19.000 0.198 0.000 0.814 721 A HN 0.662 nan 8.150 nan 0.000 0.444 722 E N -0.403 119.892 120.200 0.159 0.000 2.256 722 E HA 0.417 4.770 4.350 0.006 0.000 0.267 722 E C -2.874 173.664 176.600 -0.102 0.000 0.892 722 E CA -2.658 53.770 56.400 0.047 0.000 0.775 722 E CB 1.122 30.821 29.700 -0.003 0.000 1.207 722 E HN 0.129 nan 8.360 nan 0.000 0.420 723 P HA 0.081 nan 4.420 nan 0.000 0.269 723 P C -0.483 176.505 177.300 -0.521 0.000 1.209 723 P CA -0.047 62.628 63.100 -0.708 0.000 0.776 723 P CB 1.027 31.918 31.700 -1.348 0.000 0.876 724 K N 2.691 122.754 120.400 -0.562 0.000 2.221 724 K HA 0.401 4.724 4.320 0.006 0.000 0.258 724 K C -0.475 175.908 176.600 -0.362 0.000 0.944 724 K CA -0.866 55.104 56.287 -0.528 0.000 0.823 724 K CB 0.865 32.849 32.500 -0.860 0.000 1.113 724 K HN 0.420 nan 8.250 nan 0.000 0.431 725 L N 4.218 125.268 121.223 -0.289 0.000 2.313 725 L HA 0.252 4.595 4.340 0.006 0.000 0.282 725 L C 0.352 177.095 176.870 -0.213 0.000 1.092 725 L CA -0.116 54.583 54.840 -0.234 0.000 0.831 725 L CB 0.556 42.487 42.059 -0.214 0.000 1.159 725 L HN 0.463 nan 8.230 nan 0.000 0.442 726 K N 5.725 126.014 120.400 -0.186 0.000 2.299 726 K HA 0.476 4.799 4.320 0.006 0.000 0.268 726 K C -0.929 175.489 176.600 -0.304 0.000 1.075 726 K CA -0.402 55.782 56.287 -0.172 0.000 0.936 726 K CB 0.442 32.912 32.500 -0.050 0.000 1.228 726 K HN 0.530 nan 8.250 nan 0.000 0.454 727 I N 5.280 125.645 120.570 -0.341 0.000 2.362 727 I HA 0.286 4.459 4.170 0.006 0.000 0.289 727 I C -0.426 175.380 176.117 -0.519 0.000 0.994 727 I CA -0.781 60.233 61.300 -0.476 0.000 1.158 727 I CB 1.518 39.292 38.000 -0.376 0.000 1.315 727 I HN 0.370 nan 8.210 nan 0.000 0.451 728 M N 4.352 123.453 119.600 -0.832 0.000 2.294 728 M HA 0.408 4.891 4.480 0.006 0.000 0.335 728 M C 1.025 176.997 176.300 -0.547 0.000 1.079 728 M CA -0.573 54.283 55.300 -0.740 0.000 0.982 728 M CB 0.790 32.740 32.600 -1.083 0.000 1.651 728 M HN 0.896 nan 8.290 nan 0.000 0.437 729 G N 2.539 111.164 108.800 -0.291 0.000 2.328 729 G HA2 -0.248 3.715 3.960 0.006 0.000 0.256 729 G HA3 -0.248 3.715 3.960 0.006 0.000 0.256 729 G C 0.283 175.113 174.900 -0.117 0.000 1.014 729 G CA 0.242 45.243 45.100 -0.164 0.000 0.620 729 G HN 0.589 nan 8.290 nan 0.000 0.530 730 L N 1.014 122.135 121.223 -0.171 0.000 2.473 730 L HA 0.219 4.563 4.340 0.006 0.000 0.265 730 L C 2.107 178.987 176.870 0.016 0.000 1.243 730 L CA 0.085 54.897 54.840 -0.047 0.000 0.822 730 L CB 0.221 42.160 42.059 -0.200 0.000 1.101 730 L HN 0.264 nan 8.230 nan 0.000 0.507 731 E N -0.128 120.157 120.200 0.142 0.000 2.268 731 E HA -0.150 4.203 4.350 0.006 0.000 0.195 731 E C 1.755 178.394 176.600 0.064 0.000 0.995 731 E CA 1.411 57.866 56.400 0.092 0.000 0.836 731 E CB -0.733 29.021 29.700 0.091 0.000 0.763 731 E HN 0.886 nan 8.360 nan 0.000 0.491 732 T N -0.345 114.248 114.554 0.065 0.000 2.946 732 T HA -0.145 4.208 4.350 0.006 0.000 0.271 732 T C 1.508 176.202 174.700 -0.010 0.000 1.104 732 T CA 1.005 63.118 62.100 0.022 0.000 1.114 732 T CB -0.028 68.829 68.868 -0.018 0.000 0.867 732 T HN -0.007 nan 8.240 nan 0.000 0.513 733 Q N 0.376 120.158 119.800 -0.029 0.000 2.319 733 Q HA 0.305 4.649 4.340 0.006 0.000 0.209 733 Q C 0.172 176.159 176.000 -0.021 0.000 0.884 733 Q CA 0.313 56.092 55.803 -0.041 0.000 0.938 733 Q CB 0.554 29.239 28.738 -0.087 0.000 1.098 733 Q HN 0.620 nan 8.270 nan 0.000 0.517 734 K N 0.910 121.304 120.400 -0.010 0.000 2.156 734 K HA 0.213 4.537 4.320 0.006 0.000 0.271 734 K C 1.050 177.644 176.600 -0.011 0.000 0.995 734 K CA 0.025 56.305 56.287 -0.012 0.000 0.890 734 K CB 1.415 33.909 32.500 -0.010 0.000 1.073 734 K HN -0.045 nan 8.250 nan 0.000 0.454 735 S N 0.464 116.147 115.700 -0.027 0.000 2.447 735 S HA -0.162 4.311 4.470 0.006 0.000 0.233 735 S C 1.693 176.266 174.600 -0.046 0.000 1.006 735 S CA 1.419 59.592 58.200 -0.044 0.000 0.957 735 S CB -0.281 62.874 63.200 -0.075 0.000 0.773 735 S HN 0.620 nan 8.310 nan 0.000 0.507 736 S N 1.364 117.037 115.700 -0.044 0.000 2.406 736 S HA -0.007 4.466 4.470 0.006 0.000 0.228 736 S C 1.203 175.795 174.600 -0.013 0.000 1.020 736 S CA 0.803 58.975 58.200 -0.047 0.000 0.965 736 S CB -1.204 61.961 63.200 -0.059 0.000 0.798 736 S HN 0.731 nan 8.310 nan 0.000 0.488 737 T N 2.812 117.369 114.554 0.006 0.000 2.897 737 T HA 0.413 4.766 4.350 0.006 0.000 0.294 737 T C -3.033 171.696 174.700 0.049 0.000 1.004 737 T CA -2.194 59.925 62.100 0.031 0.000 1.106 737 T CB 0.502 69.395 68.868 0.041 0.000 0.949 737 T HN -0.042 nan 8.240 nan 0.000 0.520 738 P HA 0.101 nan 4.420 nan 0.000 0.266 738 P C 0.933 178.280 177.300 0.078 0.000 1.193 738 P CA -0.387 62.753 63.100 0.068 0.000 0.770 738 P CB 0.515 32.264 31.700 0.083 0.000 0.836 739 K N 2.541 122.986 120.400 0.074 0.000 2.020 739 K HA -0.217 4.106 4.320 0.006 0.000 0.212 739 K C 1.860 178.512 176.600 0.087 0.000 1.050 739 K CA 2.326 58.662 56.287 0.082 0.000 0.929 739 K CB -1.008 31.539 32.500 0.079 0.000 0.714 739 K HN 0.518 nan 8.250 nan 0.000 0.443 740 A N 0.821 123.701 122.820 0.100 0.000 1.933 740 A HA -0.108 4.215 4.320 0.006 0.000 0.218 740 A C 2.481 180.147 177.584 0.136 0.000 1.175 740 A CA 1.558 53.680 52.037 0.141 0.000 0.628 740 A CB -0.516 18.594 19.000 0.183 0.000 0.814 740 A HN 0.100 nan 8.150 nan 0.000 0.444 741 V N -0.119 119.876 119.914 0.135 0.000 2.358 741 V HA -0.296 3.827 4.120 0.006 0.000 0.246 741 V C 2.593 178.746 176.094 0.099 0.000 1.047 741 V CA 2.113 64.482 62.300 0.115 0.000 1.035 741 V CB -0.953 30.974 31.823 0.172 0.000 0.658 741 V HN 0.630 nan 8.190 nan 0.000 0.452 742 Q N -0.063 119.791 119.800 0.089 0.000 2.096 742 Q HA -0.296 4.047 4.340 0.006 0.000 0.204 742 Q C 2.360 178.394 176.000 0.057 0.000 0.982 742 Q CA 2.046 57.894 55.803 0.074 0.000 0.850 742 Q CB -0.246 28.528 28.738 0.061 0.000 0.901 742 Q HN 0.572 nan 8.270 nan 0.000 0.422 743 K N 0.220 120.650 120.400 0.051 0.000 2.025 743 K HA -0.119 4.204 4.320 0.006 0.000 0.207 743 K C 2.071 178.689 176.600 0.030 0.000 1.049 743 K CA 1.059 57.369 56.287 0.039 0.000 0.933 743 K CB -0.118 32.418 32.500 0.060 0.000 0.714 743 K HN 0.172 nan 8.250 nan 0.000 0.438 744 A N 1.259 124.068 122.820 -0.018 0.000 1.877 744 A HA -0.131 4.192 4.320 0.006 0.000 0.216 744 A C 2.116 179.783 177.584 0.138 0.000 1.186 744 A CA 1.302 53.279 52.037 -0.101 0.000 0.620 744 A CB -0.716 17.662 19.000 -1.036 0.000 0.822 744 A HN 0.304 nan 8.150 nan 0.000 0.443 745 L N -0.666 120.672 121.223 0.190 0.000 2.042 745 L HA -0.235 4.109 4.340 0.006 0.000 0.210 745 L C 2.658 179.607 176.870 0.132 0.000 1.076 745 L CA 2.020 56.996 54.840 0.227 0.000 0.749 745 L CB -0.424 41.782 42.059 0.245 0.000 0.893 745 L HN 0.478 nan 8.230 nan 0.000 0.432 746 K N 0.238 120.669 120.400 0.051 0.000 2.063 746 K HA -0.271 4.053 4.320 0.006 0.000 0.208 746 K C 2.084 178.644 176.600 -0.067 0.000 1.048 746 K CA 1.814 58.085 56.287 -0.026 0.000 0.928 746 K CB 0.042 32.517 32.500 -0.042 0.000 0.713 746 K HN 0.084 nan 8.250 nan 0.000 0.442 747 E N 0.341 120.479 120.200 -0.104 0.000 2.106 747 E HA -0.139 4.214 4.350 0.006 0.000 0.192 747 E C 1.758 178.214 176.600 -0.241 0.000 0.984 747 E CA 1.425 57.658 56.400 -0.278 0.000 0.806 747 E CB -0.347 29.002 29.700 -0.585 0.000 0.750 747 E HN 0.379 nan 8.360 nan 0.000 0.458 748 C N 0.012 119.287 119.300 -0.041 0.000 2.413 748 C HA -0.090 4.374 4.460 0.006 0.000 0.276 748 C C 2.588 177.615 174.990 0.062 0.000 1.236 748 C CA 0.842 59.919 59.018 0.098 0.000 1.735 748 C CB -1.036 26.833 27.740 0.215 0.000 2.031 748 C HN 0.484 nan 8.230 nan 0.000 0.474 749 I N 0.257 120.855 120.570 0.048 0.000 2.226 749 I HA -0.223 3.950 4.170 0.006 0.000 0.245 749 I C 2.874 178.990 176.117 -0.001 0.000 1.100 749 I CA 1.498 62.819 61.300 0.035 0.000 1.374 749 I CB -0.615 37.345 38.000 -0.066 0.000 1.057 749 I HN 0.328 nan 8.210 nan 0.000 0.413 750 R N 1.152 121.617 120.500 -0.058 0.000 2.091 750 R HA -0.188 4.156 4.340 0.006 0.000 0.238 750 R C 2.466 178.741 176.300 -0.041 0.000 1.136 750 R CA 1.681 57.736 56.100 -0.075 0.000 0.959 750 R CB -0.107 30.123 30.300 -0.115 0.000 0.856 750 R HN 0.293 nan 8.270 nan 0.000 0.437 751 R N -0.362 120.114 120.500 -0.041 0.000 2.092 751 R HA -0.029 4.315 4.340 0.006 0.000 0.231 751 R C 2.448 178.768 176.300 0.032 0.000 1.119 751 R CA 1.631 57.728 56.100 -0.005 0.000 0.970 751 R CB -0.195 30.104 30.300 -0.003 0.000 0.864 751 R HN 0.259 nan 8.270 nan 0.000 0.440 752 M N 0.359 119.985 119.600 0.044 0.000 2.065 752 M HA -0.208 4.276 4.480 0.006 0.000 0.259 752 M C 2.080 178.422 176.300 0.070 0.000 1.069 752 M CA 1.834 57.168 55.300 0.056 0.000 1.110 752 M CB -0.222 32.417 32.600 0.064 0.000 1.328 752 M HN 0.162 nan 8.290 nan 0.000 0.405 753 L N -1.260 120.008 121.223 0.075 0.000 2.179 753 L HA -0.144 4.200 4.340 0.006 0.000 0.208 753 L C 2.138 179.052 176.870 0.073 0.000 1.096 753 L CA 1.030 55.916 54.840 0.076 0.000 0.779 753 L CB -0.525 41.559 42.059 0.042 0.000 0.922 753 L HN 0.413 nan 8.230 nan 0.000 0.443 754 Q N -0.787 119.048 119.800 0.058 0.000 2.396 754 Q HA 0.013 4.357 4.340 0.006 0.000 0.220 754 Q C 1.352 177.405 176.000 0.088 0.000 0.900 754 Q CA 0.461 56.316 55.803 0.086 0.000 0.925 754 Q CB 0.700 29.467 28.738 0.048 0.000 1.065 754 Q HN 0.478 nan 8.270 nan 0.000 0.535 755 E N -0.633 119.604 120.200 0.062 0.000 2.399 755 E HA 0.261 4.614 4.350 0.006 0.000 0.206 755 E C 0.380 177.014 176.600 0.055 0.000 0.812 755 E CA 0.335 56.771 56.400 0.060 0.000 1.138 755 E CB 1.535 31.265 29.700 0.050 0.000 1.140 755 E HN 0.238 nan 8.360 nan 0.000 0.536 756 G N 1.286 110.116 108.800 0.050 0.000 2.384 756 G HA2 -0.226 3.738 3.960 0.006 0.000 0.668 756 G HA3 -0.226 3.738 3.960 0.006 0.000 0.668 756 G C 0.055 174.981 174.900 0.043 0.000 1.280 756 G CA -0.103 45.022 45.100 0.042 0.000 0.992 756 G HN 0.108 nan 8.290 nan 0.000 0.512 757 E N -0.515 119.704 120.200 0.032 0.000 2.077 757 E HA -0.120 4.234 4.350 0.006 0.000 0.193 757 E C 2.007 178.637 176.600 0.049 0.000 0.989 757 E CA 1.611 58.029 56.400 0.029 0.000 0.800 757 E CB -0.049 29.656 29.700 0.008 0.000 0.746 757 E HN 0.552 nan 8.360 nan 0.000 0.452 758 E N -0.345 119.885 120.200 0.051 0.000 2.158 758 E HA -0.116 4.237 4.350 0.006 0.000 0.191 758 E C 1.974 178.628 176.600 0.090 0.000 0.982 758 E CA 0.631 57.069 56.400 0.063 0.000 0.823 758 E CB 0.037 29.767 29.700 0.050 0.000 0.766 758 E HN 0.093 nan 8.360 nan 0.000 0.468 759 S N 0.523 116.275 115.700 0.087 0.000 2.382 759 S HA -0.101 4.372 4.470 0.006 0.000 0.228 759 S C 1.910 176.602 174.600 0.153 0.000 1.027 759 S CA 0.539 58.803 58.200 0.106 0.000 0.991 759 S CB -0.204 63.042 63.200 0.077 0.000 0.823 759 S HN 0.341 nan 8.310 nan 0.000 0.469 760 L N 1.363 122.671 121.223 0.142 0.000 2.017 760 L HA -0.114 4.230 4.340 0.006 0.000 0.208 760 L C 2.256 179.287 176.870 0.269 0.000 1.073 760 L CA 1.976 56.932 54.840 0.193 0.000 0.745 760 L CB -1.185 40.951 42.059 0.128 0.000 0.894 760 L HN 0.483 nan 8.230 nan 0.000 0.432 761 Q N -0.305 119.618 119.800 0.204 0.000 2.226 761 Q HA -0.243 4.101 4.340 0.006 0.000 0.204 761 Q C 1.863 178.030 176.000 0.278 0.000 0.975 761 Q CA 1.842 57.782 55.803 0.229 0.000 0.866 761 Q CB 0.003 28.819 28.738 0.129 0.000 0.915 761 Q HN 0.731 nan 8.270 nan 0.000 0.440 762 E N -0.562 119.779 120.200 0.235 0.000 2.170 762 E HA -0.186 4.168 4.350 0.006 0.000 0.191 762 E C 1.601 178.350 176.600 0.249 0.000 0.981 762 E CA 0.476 57.002 56.400 0.210 0.000 0.830 762 E CB -0.346 29.449 29.700 0.159 0.000 0.775 762 E HN 0.412 nan 8.360 nan 0.000 0.470 763 Y N 0.334 120.747 120.300 0.189 0.000 2.184 763 Y HA -0.142 4.412 4.550 0.006 0.000 0.290 763 Y C 1.996 178.056 175.900 0.267 0.000 1.129 763 Y CA 1.684 59.900 58.100 0.193 0.000 1.144 763 Y CB -0.214 38.347 38.460 0.168 0.000 0.995 763 Y HN 0.154 nan 8.280 nan 0.000 0.513 764 F N 1.354 121.468 119.950 0.272 0.000 2.091 764 F HA -0.273 4.257 4.527 0.005 0.000 0.299 764 F C 2.451 178.371 175.800 0.199 0.000 1.103 764 F CA 2.395 60.567 58.000 0.288 0.000 1.228 764 F CB -0.508 38.678 39.000 0.310 0.000 0.984 764 F HN -0.055 nan 8.300 nan 0.000 0.477 765 K N -0.002 120.543 120.400 0.241 0.000 2.063 765 K HA -0.278 4.046 4.320 0.006 0.000 0.208 765 K C 2.146 178.700 176.600 -0.076 0.000 1.048 765 K CA 1.904 58.243 56.287 0.087 0.000 0.928 765 K CB -0.311 32.299 32.500 0.182 0.000 0.713 765 K HN 0.285 nan 8.250 nan 0.000 0.442 766 E N 0.139 120.295 120.200 -0.073 0.000 2.072 766 E HA -0.166 4.187 4.350 0.006 0.000 0.191 766 E C 1.696 178.165 176.600 -0.218 0.000 0.985 766 E CA 1.275 57.595 56.400 -0.133 0.000 0.801 766 E CB -0.356 29.271 29.700 -0.122 0.000 0.750 766 E HN 0.371 nan 8.360 nan 0.000 0.452 767 F N 1.217 120.874 119.950 -0.489 0.000 2.102 767 F HA -0.150 4.380 4.527 0.006 0.000 0.298 767 F C 2.264 177.827 175.800 -0.396 0.000 1.105 767 F CA 1.967 59.654 58.000 -0.521 0.000 1.239 767 F CB -0.066 38.508 39.000 -0.712 0.000 0.991 767 F HN 0.092 nan 8.300 nan 0.000 0.474 768 E N 0.149 120.085 120.200 -0.440 0.000 2.204 768 E HA -0.277 4.077 4.350 0.006 0.000 0.195 768 E C 2.131 178.652 176.600 -0.131 0.000 0.990 768 E CA 1.154 57.321 56.400 -0.388 0.000 0.821 768 E CB -0.094 29.298 29.700 -0.514 0.000 0.750 768 E HN 0.397 nan 8.360 nan 0.000 0.477 769 K N -0.138 120.154 120.400 -0.180 0.000 2.167 769 K HA -0.073 4.251 4.320 0.006 0.000 0.203 769 K C 1.188 177.672 176.600 -0.193 0.000 1.052 769 K CA 1.090 57.294 56.287 -0.140 0.000 0.956 769 K CB 0.384 32.814 32.500 -0.118 0.000 0.735 769 K HN 0.021 nan 8.250 nan 0.000 0.451 770 E N -0.311 119.734 120.200 -0.258 0.000 2.526 770 E HA -0.021 4.332 4.350 0.006 0.000 0.208 770 E C 1.332 177.691 176.600 -0.403 0.000 0.997 770 E CA -0.074 56.148 56.400 -0.297 0.000 0.961 770 E CB 0.150 29.714 29.700 -0.226 0.000 1.030 770 E HN 0.361 nan 8.360 nan 0.000 0.483 771 F N 1.973 121.525 119.950 -0.662 0.000 2.333 771 F HA 0.026 4.556 4.527 0.005 0.000 0.300 771 F C 1.740 177.287 175.800 -0.421 0.000 1.083 771 F CA 0.725 58.284 58.000 -0.735 0.000 1.395 771 F CB -0.268 38.069 39.000 -1.105 0.000 1.056 771 F HN -0.182 nan 8.300 nan 0.000 0.529 772 R N 0.654 120.386 120.500 -1.280 0.000 2.280 772 R HA -0.045 4.299 4.340 0.006 0.000 0.207 772 R C 1.640 177.521 176.300 -0.698 0.000 1.043 772 R CA 1.056 56.341 56.100 -1.358 0.000 1.006 772 R CB -0.566 28.836 30.300 -1.497 0.000 0.885 772 R HN 0.507 nan 8.270 nan 0.000 0.467 773 Q N 0.530 120.065 119.800 -0.441 0.000 2.389 773 Q HA 0.108 4.452 4.340 0.006 0.000 0.204 773 Q C 0.284 176.212 176.000 -0.119 0.000 0.944 773 Q CA 0.206 55.864 55.803 -0.242 0.000 0.908 773 Q CB 0.204 28.822 28.738 -0.200 0.000 1.002 773 Q HN 0.256 nan 8.270 nan 0.000 0.493 774 L N 2.224 123.389 121.223 -0.096 0.000 2.453 774 L HA -0.002 4.341 4.340 0.006 0.000 0.272 774 L C 0.687 177.605 176.870 0.081 0.000 1.182 774 L CA -0.330 54.516 54.840 0.010 0.000 0.858 774 L CB 0.125 42.212 42.059 0.047 0.000 1.120 774 L HN 0.257 nan 8.230 nan 0.000 0.474 775 N N 2.307 121.050 118.700 0.073 0.000 2.412 775 N HA -0.139 4.605 4.740 0.006 0.000 0.258 775 N C 1.007 176.585 175.510 0.113 0.000 1.236 775 N CA 0.078 53.194 53.050 0.110 0.000 0.882 775 N CB 0.669 39.189 38.487 0.056 0.000 1.066 775 N HN 0.614 nan 8.380 nan 0.000 0.465 776 Y N 3.873 124.189 120.300 0.027 0.000 2.193 776 Y HA -0.184 4.369 4.550 0.006 0.000 0.285 776 Y C 1.880 177.783 175.900 0.004 0.000 1.166 776 Y CA 1.029 59.141 58.100 0.019 0.000 1.181 776 Y CB -0.263 38.193 38.460 -0.008 0.000 0.976 776 Y HN 0.513 nan 8.280 nan 0.000 0.520 777 I N 1.250 121.340 120.570 -0.800 0.000 2.286 777 I HA -0.275 3.899 4.170 0.006 0.000 0.248 777 I C 2.722 178.565 176.117 -0.456 0.000 1.115 777 I CA 1.702 62.520 61.300 -0.804 0.000 1.392 777 I CB -0.527 37.025 38.000 -0.747 0.000 1.065 777 I HN 0.515 nan 8.210 nan 0.000 0.418 778 S N 1.242 116.814 115.700 -0.213 0.000 2.474 778 S HA -0.070 4.403 4.470 0.006 0.000 0.235 778 S C 1.591 176.188 174.600 -0.005 0.000 0.997 778 S CA 0.727 58.886 58.200 -0.069 0.000 0.949 778 S CB -0.585 62.615 63.200 0.000 0.000 0.766 778 S HN 0.662 nan 8.310 nan 0.000 0.517 779 I N -2.009 118.559 120.570 -0.003 0.000 4.050 779 I HA 0.625 4.798 4.170 0.006 0.000 0.327 779 I C 0.407 176.554 176.117 0.049 0.000 1.473 779 I CA -0.848 60.499 61.300 0.078 0.000 1.124 779 I CB 0.218 38.321 38.000 0.172 0.000 1.129 779 I HN 0.217 nan 8.210 nan 0.000 0.428 780 A N 1.200 123.991 122.820 -0.049 0.000 2.331 780 A HA 0.675 4.998 4.320 0.006 0.000 0.283 780 A C 0.433 178.018 177.584 0.002 0.000 1.142 780 A CA -0.159 51.854 52.037 -0.040 0.000 0.812 780 A CB 0.536 19.415 19.000 -0.203 0.000 1.074 780 A HN 0.357 nan 8.150 nan 0.000 0.497 781 S N 0.035 115.764 115.700 0.048 0.000 2.600 781 S HA 0.435 4.909 4.470 0.006 0.000 0.265 781 S C 0.007 174.624 174.600 0.029 0.000 1.325 781 S CA -0.319 57.909 58.200 0.046 0.000 1.002 781 S CB 0.868 64.102 63.200 0.057 0.000 0.921 781 S HN 0.612 nan 8.310 nan 0.000 0.554 782 V N 1.548 121.449 119.914 -0.022 0.000 2.588 782 V HA 0.703 4.827 4.120 0.006 0.000 0.304 782 V C -0.135 175.866 176.094 -0.155 0.000 1.042 782 V CA -0.498 61.732 62.300 -0.117 0.000 0.877 782 V CB 1.821 33.554 31.823 -0.150 0.000 0.996 782 V HN 0.792 nan 8.190 nan 0.000 0.425 783 S N 2.383 117.957 115.700 -0.209 0.000 2.569 783 S HA 0.636 5.110 4.470 0.006 0.000 0.280 783 S C -0.370 174.093 174.600 -0.228 0.000 1.111 783 S CA -0.420 57.613 58.200 -0.279 0.000 0.887 783 S CB 2.082 64.963 63.200 -0.531 0.000 1.095 783 S HN 0.712 nan 8.310 nan 0.000 0.476 784 S N 2.029 117.612 115.700 -0.195 0.000 2.564 784 S HA 0.567 5.040 4.470 0.006 0.000 0.278 784 S C -0.093 174.499 174.600 -0.012 0.000 1.333 784 S CA -0.341 57.796 58.200 -0.105 0.000 1.048 784 S CB 1.021 64.175 63.200 -0.076 0.000 0.900 784 S HN 0.897 nan 8.310 nan 0.000 0.505 785 A N 3.868 126.702 122.820 0.023 0.000 2.511 785 A HA 0.478 4.802 4.320 0.006 0.000 0.340 785 A C -0.258 177.345 177.584 0.032 0.000 1.396 785 A CA -0.852 51.241 52.037 0.093 0.000 0.887 785 A CB -0.186 18.833 19.000 0.032 0.000 1.145 785 A HN 0.866 nan 8.150 nan 0.000 0.497 786 N N 1.112 119.848 118.700 0.059 0.000 2.405 786 N HA 0.453 5.197 4.740 0.006 0.000 0.299 786 N C -0.456 175.043 175.510 -0.018 0.000 1.075 786 N CA -0.862 52.191 53.050 0.005 0.000 0.884 786 N CB 0.826 39.324 38.487 0.019 0.000 1.194 786 N HN 0.661 nan 8.380 nan 0.000 0.491 787 N N 0.490 119.117 118.700 -0.121 0.000 2.756 787 N HA -0.172 4.572 4.740 0.006 0.000 0.248 787 N C 0.203 175.684 175.510 -0.048 0.000 1.062 787 N CA -0.037 52.880 53.050 -0.221 0.000 0.696 787 N CB -0.956 37.387 38.487 -0.240 0.000 0.946 787 N HN 0.538 nan 8.380 nan 0.000 0.548 788 I N -0.427 120.113 120.570 -0.049 0.000 2.163 788 I HA -0.212 3.961 4.170 0.006 0.000 0.240 788 I C 2.413 178.531 176.117 0.001 0.000 1.081 788 I CA 1.588 62.887 61.300 -0.002 0.000 1.353 788 I CB -0.316 37.671 38.000 -0.022 0.000 1.054 788 I HN 0.453 nan 8.210 nan 0.000 0.407 789 A N 0.385 123.176 122.820 -0.049 0.000 2.216 789 A HA -0.186 4.137 4.320 0.006 0.000 0.214 789 A C 2.215 179.758 177.584 -0.069 0.000 1.160 789 A CA 1.072 53.084 52.037 -0.041 0.000 0.725 789 A CB -0.555 18.426 19.000 -0.031 0.000 0.784 789 A HN 0.378 nan 8.150 nan 0.000 0.472 790 K N -1.810 118.501 120.400 -0.149 0.000 2.444 790 K HA 0.091 4.415 4.320 0.006 0.000 0.193 790 K C 0.156 176.552 176.600 -0.340 0.000 1.024 790 K CA 0.430 56.545 56.287 -0.285 0.000 1.077 790 K CB -0.022 32.175 32.500 -0.505 0.000 0.833 790 K HN 0.642 nan 8.250 nan 0.000 0.517 791 Y N -0.347 119.924 120.300 -0.048 0.000 2.540 791 Y HA 0.085 4.638 4.550 0.006 0.000 0.257 791 Y C -0.713 175.181 175.900 -0.009 0.000 1.090 791 Y CA -0.668 57.410 58.100 -0.037 0.000 1.242 791 Y CB 1.085 39.504 38.460 -0.069 0.000 1.325 791 Y HN 0.088 nan 8.280 nan 0.000 0.544 792 D N 0.695 121.182 120.400 0.144 0.000 3.830 792 D HA -0.165 4.478 4.640 0.006 0.000 0.247 792 D C -0.318 176.003 176.300 0.036 0.000 1.073 792 D CA 0.979 55.023 54.000 0.072 0.000 1.116 792 D CB -0.840 39.987 40.800 0.046 0.000 0.909 792 D HN 0.147 nan 8.370 nan 0.000 0.418 793 V N 0.393 120.332 119.914 0.041 0.000 6.016 793 V HA -0.039 4.084 4.120 0.006 0.000 0.265 793 V C 1.097 177.264 176.094 0.121 0.000 0.621 793 V CA 1.439 63.783 62.300 0.072 0.000 0.592 793 V CB -1.658 30.207 31.823 0.071 0.000 0.298 793 V HN 1.400 nan 8.190 nan 0.000 0.615 794 G N 0.482 109.357 108.800 0.127 0.000 3.559 794 G HA2 0.578 4.541 3.960 0.006 0.000 0.239 794 G HA3 0.578 4.541 3.960 0.006 0.000 0.239 794 G C -0.121 174.810 174.900 0.053 0.000 3.928 794 G CA 0.012 45.150 45.100 0.064 0.000 0.458 794 G HN 1.410 nan 8.290 nan 0.000 0.270 795 G N 0.442 109.201 108.800 -0.069 0.000 4.403 795 G HA2 0.556 4.519 3.960 0.006 0.000 0.297 795 G HA3 0.556 4.519 3.960 0.006 0.000 0.297 795 G C -0.428 174.275 174.900 -0.329 0.000 1.325 795 G CA -0.470 44.537 45.100 -0.155 0.000 1.378 795 G HN 0.277 nan 8.290 nan 0.000 0.595 796 F N 0.358 120.318 119.950 0.017 0.000 2.575 796 F HA 0.514 5.045 4.527 0.006 0.000 0.330 796 F C -1.875 173.939 175.800 0.023 0.000 1.056 796 F CA -2.806 55.203 58.000 0.014 0.000 0.964 796 F CB 2.247 41.254 39.000 0.011 0.000 1.258 796 F HN -0.044 nan 8.300 nan 0.000 0.484 797 P HA 0.075 nan 4.420 nan 0.000 0.260 797 P C -0.118 177.270 177.300 0.148 0.000 1.185 797 P CA 0.223 63.401 63.100 0.130 0.000 0.763 797 P CB 0.122 31.865 31.700 0.072 0.000 0.776 798 G N 4.768 113.677 108.800 0.181 0.000 2.543 798 G HA2 0.428 4.392 3.960 0.006 0.000 0.290 798 G HA3 0.428 4.392 3.960 0.006 0.000 0.290 798 G C -2.558 172.451 174.900 0.181 0.000 1.310 798 G CA -1.601 43.604 45.100 0.175 0.000 1.025 798 G HN 0.295 nan 8.290 nan 0.000 0.502 799 P HA 0.119 nan 4.420 nan 0.000 0.262 799 P C 0.124 177.543 177.300 0.198 0.000 1.182 799 P CA 0.374 63.555 63.100 0.135 0.000 0.761 799 P CB 0.637 32.398 31.700 0.102 0.000 0.795 800 K N 0.440 120.914 120.400 0.122 0.000 3.160 800 K HA -0.226 4.098 4.320 0.006 0.000 0.280 800 K C -0.279 176.307 176.600 -0.024 0.000 1.154 800 K CA 0.122 56.466 56.287 0.095 0.000 0.822 800 K CB -1.546 31.037 32.500 0.139 0.000 1.239 800 K HN 0.588 nan 8.250 nan 0.000 0.489 801 C N 1.970 121.201 119.300 -0.115 0.000 2.638 801 C HA 0.223 4.686 4.460 0.006 0.000 0.410 801 C C -1.691 173.056 174.990 -0.404 0.000 1.404 801 C CA -1.561 57.156 59.018 -0.502 0.000 1.651 801 C CB -0.495 27.101 27.740 -0.240 0.000 2.495 801 C HN 0.295 nan 8.230 nan 0.000 0.606 802 P HA 0.063 nan 4.420 nan 0.000 0.269 802 P C 0.518 177.705 177.300 -0.188 0.000 1.215 802 P CA -0.061 62.870 63.100 -0.282 0.000 0.780 802 P CB 0.243 31.724 31.700 -0.365 0.000 0.898 803 F N 2.437 122.336 119.950 -0.085 0.000 2.126 803 F HA -0.269 4.261 4.527 0.006 0.000 0.299 803 F C 2.421 178.214 175.800 -0.012 0.000 1.096 803 F CA 1.973 59.963 58.000 -0.016 0.000 1.255 803 F CB -0.381 38.650 39.000 0.052 0.000 0.997 803 F HN 0.474 nan 8.300 nan 0.000 0.479 804 H N -0.898 118.181 119.070 0.014 0.000 2.428 804 H HA -0.060 4.499 4.556 0.006 0.000 0.296 804 H C 2.236 177.487 175.328 -0.129 0.000 1.062 804 H CA 1.449 57.453 56.048 -0.074 0.000 1.350 804 H CB -0.993 28.757 29.762 -0.019 0.000 1.403 804 H HN 0.237 nan 8.280 nan 0.000 0.533 805 I N 1.643 121.845 120.570 -0.613 0.000 2.252 805 I HA -0.174 3.999 4.170 0.006 0.000 0.245 805 I C 2.854 178.821 176.117 -0.250 0.000 1.102 805 I CA 0.864 61.912 61.300 -0.420 0.000 1.385 805 I CB -0.931 36.761 38.000 -0.512 0.000 1.064 805 I HN 0.231 nan 8.210 nan 0.000 0.414 806 R N 1.212 121.548 120.500 -0.273 0.000 2.091 806 R HA -0.168 4.176 4.340 0.006 0.000 0.238 806 R C 2.337 178.526 176.300 -0.183 0.000 1.136 806 R CA 1.893 57.871 56.100 -0.203 0.000 0.959 806 R CB -0.544 29.615 30.300 -0.236 0.000 0.856 806 R HN 0.381 nan 8.270 nan 0.000 0.437 807 G N 0.801 109.453 108.800 -0.246 0.000 2.432 807 G HA2 -0.205 3.759 3.960 0.006 0.000 0.219 807 G HA3 -0.205 3.759 3.960 0.006 0.000 0.219 807 G C 1.463 176.341 174.900 -0.036 0.000 1.135 807 G CA 0.760 45.761 45.100 -0.165 0.000 0.767 807 G HN 0.303 nan 8.290 nan 0.000 0.550 808 I N 0.291 120.837 120.570 -0.040 0.000 2.353 808 I HA -0.059 4.115 4.170 0.006 0.000 0.248 808 I C 2.580 178.741 176.117 0.072 0.000 1.119 808 I CA 0.536 61.857 61.300 0.035 0.000 1.417 808 I CB -0.095 37.898 38.000 -0.012 0.000 1.078 808 I HN 0.116 nan 8.210 nan 0.000 0.421 809 L N -0.156 121.064 121.223 -0.004 0.000 2.093 809 L HA -0.166 4.177 4.340 0.006 0.000 0.208 809 L C 2.575 179.423 176.870 -0.036 0.000 1.085 809 L CA 1.283 56.105 54.840 -0.030 0.000 0.755 809 L CB -1.053 40.974 42.059 -0.052 0.000 0.904 809 L HN 0.260 nan 8.230 nan 0.000 0.435 810 T N -0.962 113.590 114.554 -0.005 0.000 2.643 810 T HA -0.275 4.078 4.350 0.006 0.000 0.264 810 T C 1.733 176.472 174.700 0.065 0.000 1.045 810 T CA 1.644 63.758 62.100 0.024 0.000 1.155 810 T CB -0.508 68.367 68.868 0.012 0.000 0.863 810 T HN 0.284 nan 8.240 nan 0.000 0.420 811 Y N 2.934 123.216 120.300 -0.031 0.000 2.114 811 Y HA -0.268 4.286 4.550 0.006 0.000 0.282 811 Y C 2.226 178.135 175.900 0.014 0.000 1.165 811 Y CA 1.557 59.658 58.100 0.002 0.000 1.148 811 Y CB -0.604 37.880 38.460 0.041 0.000 0.972 811 Y HN 0.119 nan 8.280 nan 0.000 0.504 812 N N 0.216 118.925 118.700 0.015 0.000 2.149 812 N HA -0.174 4.569 4.740 0.006 0.000 0.188 812 N C 1.963 177.389 175.510 -0.141 0.000 1.019 812 N CA 1.541 54.545 53.050 -0.077 0.000 0.857 812 N CB -0.426 38.053 38.487 -0.013 0.000 0.997 812 N HN 0.405 nan 8.380 nan 0.000 0.426 813 R N 0.158 120.583 120.500 -0.125 0.000 2.119 813 R HA 0.154 4.498 4.340 0.006 0.000 0.222 813 R C 1.868 178.111 176.300 -0.095 0.000 1.088 813 R CA 0.956 56.975 56.100 -0.134 0.000 0.984 813 R CB -0.044 30.153 30.300 -0.171 0.000 0.884 813 R HN 0.167 nan 8.270 nan 0.000 0.447 814 A N 0.659 123.440 122.820 -0.065 0.000 2.067 814 A HA -0.028 4.296 4.320 0.006 0.000 0.217 814 A C 1.824 179.334 177.584 -0.122 0.000 1.156 814 A CA 0.880 52.906 52.037 -0.019 0.000 0.683 814 A CB -0.298 18.825 19.000 0.206 0.000 0.808 814 A HN 0.500 nan 8.150 nan 0.000 0.455 815 I N -4.635 115.785 120.570 -0.251 0.000 4.018 815 I HA 0.279 4.452 4.170 0.006 0.000 0.337 815 I C 0.577 176.603 176.117 -0.152 0.000 1.327 815 I CA -0.458 60.691 61.300 -0.252 0.000 1.100 815 I CB 0.119 37.846 38.000 -0.456 0.000 1.025 815 I HN -0.154 nan 8.210 nan 0.000 0.396 816 K N 2.849 123.173 120.400 -0.127 0.000 2.543 816 K HA -0.031 4.293 4.320 0.006 0.000 0.279 816 K C 1.204 177.770 176.600 -0.058 0.000 1.001 816 K CA 1.631 57.867 56.287 -0.084 0.000 1.088 816 K CB 0.102 32.553 32.500 -0.081 0.000 0.863 816 K HN 0.681 nan 8.250 nan 0.000 0.488 817 G N 3.187 111.964 108.800 -0.038 0.000 2.199 817 G HA2 -0.258 3.706 3.960 0.006 0.000 0.254 817 G HA3 -0.258 3.706 3.960 0.006 0.000 0.254 817 G C 0.192 175.084 174.900 -0.013 0.000 0.982 817 G CA 0.094 45.181 45.100 -0.021 0.000 0.632 817 G HN 0.715 nan 8.290 nan 0.000 0.529 818 N N 0.731 119.419 118.700 -0.021 0.000 2.444 818 N HA 0.442 5.185 4.740 0.006 0.000 0.271 818 N C 1.965 177.483 175.510 0.012 0.000 1.069 818 N CA 0.296 53.341 53.050 -0.008 0.000 0.965 818 N CB 0.738 39.213 38.487 -0.020 0.000 1.092 818 N HN 0.457 nan 8.380 nan 0.000 0.476 819 I N -0.534 120.050 120.570 0.023 0.000 2.480 819 I HA 0.017 4.191 4.170 0.006 0.000 0.251 819 I C 1.304 177.450 176.117 0.047 0.000 1.124 819 I CA 0.949 62.273 61.300 0.040 0.000 1.444 819 I CB 0.035 38.059 38.000 0.041 0.000 1.098 819 I HN 0.326 nan 8.210 nan 0.000 0.428 820 D N 1.874 122.296 120.400 0.037 0.000 2.350 820 D HA 0.208 4.851 4.640 0.006 0.000 0.213 820 D C 0.868 177.207 176.300 0.066 0.000 1.031 820 D CA 0.142 54.168 54.000 0.044 0.000 0.861 820 D CB 0.471 41.287 40.800 0.027 0.000 0.926 820 D HN 0.395 nan 8.370 nan 0.000 0.520 821 A N 1.903 124.760 122.820 0.063 0.000 2.488 821 A HA 0.325 4.649 4.320 0.006 0.000 0.249 821 A C -2.262 175.407 177.584 0.141 0.000 1.083 821 A CA -0.857 51.233 52.037 0.088 0.000 0.768 821 A CB 0.088 19.106 19.000 0.031 0.000 1.017 821 A HN -0.021 nan 8.150 nan 0.000 0.496 822 P HA 0.055 nan 4.420 nan 0.000 0.261 822 P C -0.485 176.978 177.300 0.272 0.000 1.183 822 P CA 0.359 63.588 63.100 0.215 0.000 0.761 822 P CB 0.404 32.240 31.700 0.226 0.000 0.785 823 Q N 1.761 121.671 119.800 0.183 0.000 2.259 823 Q HA 0.251 4.595 4.340 0.006 0.000 0.249 823 Q C -0.207 175.859 176.000 0.111 0.000 0.914 823 Q CA -0.737 55.169 55.803 0.172 0.000 0.904 823 Q CB 1.038 29.833 28.738 0.095 0.000 1.213 823 Q HN 0.194 nan 8.270 nan 0.000 0.428 824 V N 2.809 122.795 119.914 0.120 0.000 2.446 824 V HA 0.044 4.167 4.120 0.006 0.000 0.276 824 V C 0.238 176.318 176.094 -0.023 0.000 1.030 824 V CA -0.210 62.095 62.300 0.008 0.000 1.033 824 V CB 0.768 32.595 31.823 0.007 0.000 0.993 824 V HN 0.438 nan 8.190 nan 0.000 0.477 825 V N 5.300 125.171 119.914 -0.070 0.000 2.432 825 V HA 0.167 4.290 4.120 0.006 0.000 0.271 825 V C 0.716 176.762 176.094 -0.081 0.000 1.046 825 V CA -0.486 61.756 62.300 -0.096 0.000 0.945 825 V CB 1.283 33.015 31.823 -0.153 0.000 0.992 825 V HN 0.847 nan 8.190 nan 0.000 0.471 826 E N 3.405 123.566 120.200 -0.065 0.000 2.493 826 E HA 0.172 4.525 4.350 0.006 0.000 0.255 826 E C 1.162 177.726 176.600 -0.060 0.000 0.999 826 E CA 1.152 57.519 56.400 -0.055 0.000 0.934 826 E CB 0.549 30.220 29.700 -0.047 0.000 0.940 826 E HN 1.062 nan 8.360 nan 0.000 0.473 827 G N 4.009 112.776 108.800 -0.055 0.000 2.179 827 G HA2 -0.183 3.780 3.960 0.006 0.000 0.220 827 G HA3 -0.183 3.780 3.960 0.006 0.000 0.220 827 G C 0.222 175.081 174.900 -0.070 0.000 0.990 827 G CA 0.065 45.132 45.100 -0.056 0.000 0.646 827 G HN 0.528 nan 8.290 nan 0.000 0.517 828 E N 0.199 120.352 120.200 -0.080 0.000 2.284 828 E HA 0.493 4.847 4.350 0.006 0.000 0.255 828 E C 0.048 176.579 176.600 -0.115 0.000 1.052 828 E CA -0.687 55.657 56.400 -0.094 0.000 0.904 828 E CB 0.797 30.432 29.700 -0.109 0.000 1.217 828 E HN 0.162 nan 8.360 nan 0.000 0.438 829 K N 0.983 121.289 120.400 -0.158 0.000 2.174 829 K HA 0.360 4.684 4.320 0.006 0.000 0.275 829 K C -0.057 176.346 176.600 -0.330 0.000 1.015 829 K CA -0.454 55.693 56.287 -0.234 0.000 0.933 829 K CB 1.327 33.657 32.500 -0.285 0.000 1.025 829 K HN 0.337 nan 8.250 nan 0.000 0.463 830 V N -0.455 119.252 119.914 -0.344 0.000 2.769 830 V HA 0.433 4.557 4.120 0.006 0.000 0.312 830 V C -0.816 174.937 176.094 -0.568 0.000 1.061 830 V CA -1.196 60.832 62.300 -0.455 0.000 0.931 830 V CB 0.969 32.620 31.823 -0.287 0.000 1.010 830 V HN 0.472 nan 8.190 nan 0.000 0.433 831 Y N 1.897 121.706 120.300 -0.818 0.000 2.346 831 Y HA 0.623 5.177 4.550 0.006 0.000 0.330 831 Y C 0.432 175.861 175.900 -0.785 0.000 1.178 831 Y CA -0.520 56.993 58.100 -0.978 0.000 1.331 831 Y CB 1.390 38.793 38.460 -1.761 0.000 1.253 831 Y HN 0.557 nan 8.280 nan 0.000 0.529 832 V N 5.382 125.184 119.914 -0.186 0.000 2.588 832 V HA 0.520 4.643 4.120 0.006 0.000 0.304 832 V C -0.486 175.693 176.094 0.142 0.000 1.042 832 V CA -1.061 61.245 62.300 0.011 0.000 0.877 832 V CB 2.011 33.892 31.823 0.098 0.000 0.996 832 V HN 0.551 nan 8.190 nan 0.000 0.425 833 L N 5.991 127.355 121.223 0.235 0.000 2.408 833 L HA 0.592 4.936 4.340 0.006 0.000 0.268 833 L C -2.545 174.440 176.870 0.191 0.000 0.986 833 L CA -1.764 53.214 54.840 0.230 0.000 0.820 833 L CB 3.546 45.774 42.059 0.281 0.000 1.303 833 L HN 0.434 nan 8.230 nan 0.000 0.411 834 P HA 0.233 nan 4.420 nan 0.000 0.275 834 P C -1.284 176.108 177.300 0.153 0.000 1.228 834 P CA -0.443 62.795 63.100 0.229 0.000 0.786 834 P CB 1.428 33.270 31.700 0.237 0.000 0.927 835 L N 2.953 124.273 121.223 0.161 0.000 2.365 835 L HA 0.430 4.773 4.340 0.006 0.000 0.273 835 L C 0.893 177.894 176.870 0.219 0.000 1.000 835 L CA -0.808 54.142 54.840 0.184 0.000 0.819 835 L CB 1.246 43.395 42.059 0.150 0.000 1.284 835 L HN 0.334 nan 8.230 nan 0.000 0.418 836 R N 1.996 122.680 120.500 0.307 0.000 2.590 836 R HA 0.146 4.489 4.340 0.006 0.000 0.274 836 R C -0.178 176.303 176.300 0.302 0.000 1.061 836 R CA -0.554 55.740 56.100 0.324 0.000 1.081 836 R CB 0.502 31.041 30.300 0.399 0.000 0.984 836 R HN 0.491 nan 8.270 nan 0.000 0.448 837 E N 0.776 121.107 120.200 0.219 0.000 2.608 837 E HA -0.098 4.255 4.350 0.006 0.000 0.259 837 E C 0.873 177.563 176.600 0.149 0.000 0.951 837 E CA 1.341 57.829 56.400 0.147 0.000 0.945 837 E CB 0.528 30.305 29.700 0.128 0.000 0.916 837 E HN 0.926 nan 8.360 nan 0.000 0.477 838 G N 3.170 111.967 108.800 -0.005 0.000 2.141 838 G HA2 -0.289 3.674 3.960 0.006 0.000 0.231 838 G HA3 -0.289 3.674 3.960 0.006 0.000 0.231 838 G C 0.141 174.701 174.900 -0.567 0.000 0.984 838 G CA 0.308 45.344 45.100 -0.107 0.000 0.660 838 G HN 0.683 nan 8.290 nan 0.000 0.525 839 N N 0.362 118.607 118.700 -0.758 0.000 2.444 839 N HA 0.547 5.291 4.740 0.006 0.000 0.255 839 N C -0.665 174.352 175.510 -0.822 0.000 1.255 839 N CA -1.034 51.171 53.050 -1.407 0.000 0.933 839 N CB 0.996 39.078 38.487 -0.674 0.000 1.143 839 N HN 0.068 nan 8.380 nan 0.000 0.453 840 P HA -0.033 nan 4.420 nan 0.000 0.237 840 P C -0.001 176.965 177.300 -0.557 0.000 1.178 840 P CA 0.797 63.518 63.100 -0.632 0.000 0.766 840 P CB -0.059 31.239 31.700 -0.669 0.000 0.876 841 F N 0.117 119.927 119.950 -0.234 0.000 2.743 841 F HA 0.316 4.846 4.527 0.006 0.000 0.297 841 F C 1.932 177.690 175.800 -0.069 0.000 1.131 841 F CA 0.780 58.709 58.000 -0.118 0.000 1.426 841 F CB -0.905 38.047 39.000 -0.080 0.000 1.116 841 F HN 0.018 nan 8.300 nan 0.000 0.583 842 G N 0.669 109.492 108.800 0.038 0.000 2.179 842 G HA2 -0.264 3.700 3.960 0.006 0.000 0.257 842 G HA3 -0.264 3.700 3.960 0.006 0.000 0.257 842 G C -0.309 174.642 174.900 0.086 0.000 1.010 842 G CA 0.593 45.718 45.100 0.042 0.000 0.736 842 G HN 0.374 nan 8.290 nan 0.000 0.513 843 D N -1.741 118.712 120.400 0.087 0.000 2.639 843 D HA 0.273 4.916 4.640 0.006 0.000 0.271 843 D C 1.346 177.678 176.300 0.053 0.000 1.254 843 D CA -0.174 53.866 54.000 0.067 0.000 0.810 843 D CB 0.562 41.400 40.800 0.064 0.000 1.351 843 D HN 0.099 nan 8.370 nan 0.000 0.427 844 K N -0.779 119.646 120.400 0.041 0.000 2.432 844 K HA 0.110 4.433 4.320 0.006 0.000 0.196 844 K C 0.550 177.180 176.600 0.051 0.000 1.038 844 K CA 0.326 56.664 56.287 0.086 0.000 0.986 844 K CB -0.436 32.161 32.500 0.162 0.000 0.782 844 K HN 0.437 nan 8.250 nan 0.000 0.485 845 C N -1.118 118.122 119.300 -0.100 0.000 3.239 845 C HA 0.778 5.241 4.460 0.006 0.000 0.317 845 C C -0.856 174.046 174.990 -0.146 0.000 1.310 845 C CA -1.438 57.480 59.018 -0.167 0.000 1.371 845 C CB 0.825 28.211 27.740 -0.590 0.000 1.714 845 C HN 0.374 nan 8.230 nan 0.000 0.473 846 I N 1.386 121.906 120.570 -0.084 0.000 2.730 846 I HA 0.787 4.960 4.170 0.006 0.000 0.298 846 I C -0.289 175.903 176.117 0.125 0.000 1.089 846 I CA -0.400 60.875 61.300 -0.043 0.000 1.041 846 I CB 2.005 39.870 38.000 -0.225 0.000 1.235 846 I HN 1.249 nan 8.210 nan 0.000 0.423 847 A N 5.823 128.728 122.820 0.141 0.000 2.435 847 A HA 0.842 5.165 4.320 0.006 0.000 0.304 847 A C -1.861 175.758 177.584 0.059 0.000 1.064 847 A CA -0.473 51.627 52.037 0.105 0.000 0.727 847 A CB 1.042 20.017 19.000 -0.043 0.000 1.284 847 A HN 0.872 nan 8.150 nan 0.000 0.415 848 W N 0.434 121.545 121.300 -0.314 0.000 3.062 848 W HA 0.729 5.393 4.660 0.006 0.000 0.336 848 W C -3.326 172.994 176.519 -0.332 0.000 1.224 848 W CA -2.751 54.237 57.345 -0.594 0.000 1.159 848 W CB 0.332 29.448 29.460 -0.574 0.000 1.454 848 W HN 0.415 nan 8.180 nan 0.000 0.569 849 P HA 0.010 nan 4.420 nan 0.000 0.262 849 P C 0.243 177.262 177.300 -0.469 0.000 1.182 849 P CA 0.495 63.427 63.100 -0.280 0.000 0.761 849 P CB 0.757 32.400 31.700 -0.094 0.000 0.795 850 S N 2.390 117.676 115.700 -0.690 0.000 2.593 850 S HA 0.425 4.899 4.470 0.006 0.000 0.269 850 S C 1.293 175.521 174.600 -0.619 0.000 1.334 850 S CA 0.208 57.712 58.200 -1.162 0.000 1.015 850 S CB -0.031 62.435 63.200 -1.224 0.000 0.912 850 S HN 0.928 nan 8.310 nan 0.000 0.541 851 G N 0.473 108.967 108.800 -0.511 0.000 2.155 851 G HA2 -0.187 3.777 3.960 0.006 0.000 0.257 851 G HA3 -0.187 3.777 3.960 0.006 0.000 0.257 851 G C 0.220 175.188 174.900 0.112 0.000 0.983 851 G CA 0.646 45.702 45.100 -0.074 0.000 0.676 851 G HN 1.886 nan 8.290 nan 0.000 0.528 852 T N -2.888 111.794 114.554 0.213 0.000 2.903 852 T HA 0.666 5.019 4.350 0.006 0.000 0.299 852 T C -0.618 174.344 174.700 0.437 0.000 1.093 852 T CA -0.865 61.394 62.100 0.264 0.000 1.002 852 T CB 2.657 71.654 68.868 0.216 0.000 1.127 852 T HN 0.082 nan 8.240 nan 0.000 0.488 853 E N 1.300 121.678 120.200 0.296 0.000 2.338 853 E HA 0.253 4.607 4.350 0.006 0.000 0.272 853 E C -0.033 176.695 176.600 0.212 0.000 1.029 853 E CA -0.352 56.217 56.400 0.281 0.000 0.872 853 E CB 1.588 31.391 29.700 0.171 0.000 1.015 853 E HN 0.657 nan 8.360 nan 0.000 0.417 854 I N 2.141 122.704 120.570 -0.012 0.000 2.696 854 I HA -0.064 4.110 4.170 0.006 0.000 0.284 854 I C 0.321 176.409 176.117 -0.048 0.000 1.129 854 I CA -0.095 61.042 61.300 -0.271 0.000 1.410 854 I CB 0.647 38.068 38.000 -0.965 0.000 1.399 854 I HN 0.449 nan 8.210 nan 0.000 0.579 855 T N 4.107 118.698 114.554 0.062 0.000 2.903 855 T HA -0.089 4.265 4.350 0.006 0.000 0.299 855 T C 0.800 175.506 174.700 0.010 0.000 1.041 855 T CA -0.400 61.738 62.100 0.064 0.000 1.138 855 T CB 0.210 69.131 68.868 0.088 0.000 1.040 855 T HN 0.560 nan 8.240 nan 0.000 0.524 856 D N 1.026 121.433 120.400 0.012 0.000 2.133 856 D HA -0.060 4.583 4.640 0.006 0.000 0.195 856 D C 0.858 177.152 176.300 -0.009 0.000 0.997 856 D CA 1.009 55.005 54.000 -0.006 0.000 0.840 856 D CB -0.197 40.605 40.800 0.004 0.000 0.947 856 D HN 0.552 nan 8.370 nan 0.000 0.452 857 L N 1.185 122.410 121.223 0.003 0.000 2.361 857 L HA 0.139 4.482 4.340 0.006 0.000 0.278 857 L C 1.591 178.475 176.870 0.022 0.000 1.113 857 L CA 0.017 54.859 54.840 0.003 0.000 0.849 857 L CB 0.622 42.679 42.059 -0.003 0.000 1.155 857 L HN 0.227 nan 8.230 nan 0.000 0.452 858 I N -0.993 119.605 120.570 0.046 0.000 2.771 858 I HA -0.371 3.802 4.170 0.006 0.000 0.253 858 I C 1.593 177.761 176.117 0.085 0.000 0.556 858 I CA 1.359 62.748 61.300 0.149 0.000 0.705 858 I CB -0.858 37.295 38.000 0.255 0.000 4.046 858 I HN 0.655 nan 8.210 nan 0.000 0.954 859 K N 1.576 121.950 120.400 -0.042 0.000 2.009 859 K HA -0.229 4.095 4.320 0.006 0.000 0.210 859 K C 1.457 177.966 176.600 -0.151 0.000 1.049 859 K CA 2.641 58.820 56.287 -0.179 0.000 0.929 859 K CB -0.205 32.177 32.500 -0.197 0.000 0.714 859 K HN 0.639 nan 8.250 nan 0.000 0.440 860 D N 0.992 121.353 120.400 -0.065 0.000 2.149 860 D HA -0.160 4.483 4.640 0.006 0.000 0.198 860 D C 1.605 177.947 176.300 0.071 0.000 0.990 860 D CA 1.217 55.202 54.000 -0.024 0.000 0.839 860 D CB -0.330 40.460 40.800 -0.017 0.000 0.948 860 D HN 0.293 nan 8.370 nan 0.000 0.460 861 D N -0.114 120.374 120.400 0.146 0.000 2.117 861 D HA -0.114 4.530 4.640 0.006 0.000 0.198 861 D C 2.345 178.968 176.300 0.540 0.000 0.982 861 D CA 0.837 55.040 54.000 0.339 0.000 0.828 861 D CB -0.279 40.663 40.800 0.236 0.000 0.967 861 D HN 0.233 nan 8.370 nan 0.000 0.464 862 V N -0.464 119.651 119.914 0.335 0.000 2.427 862 V HA -0.142 3.982 4.120 0.006 0.000 0.248 862 V C 2.281 178.410 176.094 0.059 0.000 1.051 862 V CA 1.140 63.519 62.300 0.133 0.000 1.048 862 V CB -0.799 30.895 31.823 -0.216 0.000 0.666 862 V HN 0.120 nan 8.190 nan 0.000 0.456 863 L N -0.037 121.150 121.223 -0.060 0.000 2.083 863 L HA -0.163 4.180 4.340 0.006 0.000 0.209 863 L C 2.944 179.819 176.870 0.009 0.000 1.083 863 L CA 2.189 56.970 54.840 -0.099 0.000 0.752 863 L CB -0.894 41.053 42.059 -0.188 0.000 0.899 863 L HN 0.550 nan 8.230 nan 0.000 0.433 864 H N -1.196 117.857 119.070 -0.028 0.000 2.395 864 H HA -0.184 4.376 4.556 0.006 0.000 0.299 864 H C 1.452 176.623 175.328 -0.262 0.000 1.070 864 H CA 1.713 57.669 56.048 -0.153 0.000 1.356 864 H CB 0.078 29.732 29.762 -0.180 0.000 1.401 864 H HN 0.368 nan 8.280 nan 0.000 0.524 865 W N 0.576 121.975 121.300 0.165 0.000 3.220 865 W HA 0.255 4.919 4.660 0.006 0.000 0.328 865 W C 0.658 177.200 176.519 0.038 0.000 1.205 865 W CA -0.560 56.868 57.345 0.138 0.000 1.773 865 W CB 0.188 29.804 29.460 0.260 0.000 1.086 865 W HN -0.081 nan 8.180 nan 0.000 0.622 866 M N 1.864 121.519 119.600 0.091 0.000 2.286 866 M HA -0.122 4.361 4.480 0.006 0.000 0.365 866 M C 0.167 176.383 176.300 -0.140 0.000 1.443 866 M CA 1.018 56.252 55.300 -0.110 0.000 0.951 866 M CB 0.158 32.511 32.600 -0.411 0.000 1.961 866 M HN -0.176 nan 8.290 nan 0.000 0.468 867 D N 3.589 123.963 120.400 -0.042 0.000 2.500 867 D HA 0.096 4.739 4.640 0.006 0.000 0.219 867 D C 0.247 176.588 176.300 0.068 0.000 1.137 867 D CA -0.023 54.012 54.000 0.058 0.000 0.946 867 D CB 0.223 41.103 40.800 0.134 0.000 1.022 867 D HN 0.430 nan 8.370 nan 0.000 0.518 868 Y N 1.051 121.431 120.300 0.132 0.000 2.224 868 Y HA -0.192 4.361 4.550 0.006 0.000 0.289 868 Y C 2.525 178.654 175.900 0.381 0.000 1.146 868 Y CA 1.113 59.357 58.100 0.240 0.000 1.182 868 Y CB -0.295 38.158 38.460 -0.011 0.000 0.983 868 Y HN 0.278 nan 8.280 nan 0.000 0.524 869 T N -0.555 114.245 114.554 0.409 0.000 2.652 869 T HA -0.184 4.169 4.350 0.006 0.000 0.267 869 T C 2.147 176.960 174.700 0.188 0.000 1.039 869 T CA 1.717 63.989 62.100 0.287 0.000 1.153 869 T CB -0.768 68.219 68.868 0.199 0.000 0.863 869 T HN 0.096 nan 8.240 nan 0.000 0.428 870 V N 1.616 121.627 119.914 0.162 0.000 2.295 870 V HA -0.117 4.007 4.120 0.006 0.000 0.246 870 V C 2.416 178.573 176.094 0.104 0.000 1.049 870 V CA 1.487 63.855 62.300 0.114 0.000 1.024 870 V CB -0.691 31.202 31.823 0.117 0.000 0.648 870 V HN 0.413 nan 8.190 nan 0.000 0.447 871 L N -0.690 120.619 121.223 0.144 0.000 2.013 871 L HA -0.237 4.106 4.340 0.006 0.000 0.212 871 L C 2.354 179.288 176.870 0.108 0.000 1.073 871 L CA 2.003 56.929 54.840 0.143 0.000 0.753 871 L CB -0.212 41.963 42.059 0.192 0.000 0.890 871 L HN 0.341 nan 8.230 nan 0.000 0.432 872 L N -0.139 121.121 121.223 0.062 0.000 2.044 872 L HA -0.196 4.148 4.340 0.006 0.000 0.205 872 L C 2.338 179.217 176.870 0.015 0.000 1.075 872 L CA 1.844 56.608 54.840 -0.127 0.000 0.747 872 L CB -0.424 41.267 42.059 -0.614 0.000 0.903 872 L HN 0.250 nan 8.230 nan 0.000 0.435 873 E N -0.840 119.375 120.200 0.025 0.000 2.150 873 E HA -0.207 4.146 4.350 0.006 0.000 0.193 873 E C 2.135 178.733 176.600 -0.003 0.000 0.985 873 E CA 1.058 57.474 56.400 0.025 0.000 0.814 873 E CB 0.091 29.812 29.700 0.036 0.000 0.752 873 E HN 0.381 nan 8.360 nan 0.000 0.466 874 K N -0.840 119.562 120.400 0.003 0.000 2.044 874 K HA -0.063 4.261 4.320 0.006 0.000 0.204 874 K C 2.191 178.777 176.600 -0.023 0.000 1.049 874 K CA 1.691 57.961 56.287 -0.028 0.000 0.945 874 K CB 0.120 32.594 32.500 -0.043 0.000 0.724 874 K HN 0.204 nan 8.250 nan 0.000 0.440 875 T N -2.372 112.199 114.554 0.029 0.000 3.040 875 T HA 0.048 4.401 4.350 0.006 0.000 0.252 875 T C 1.488 176.239 174.700 0.084 0.000 1.064 875 T CA 0.087 62.217 62.100 0.051 0.000 1.110 875 T CB -0.036 68.885 68.868 0.088 0.000 0.921 875 T HN 0.096 nan 8.240 nan 0.000 0.480 876 F N 1.095 120.999 119.950 -0.077 0.000 2.479 876 F HA 0.479 5.010 4.527 0.005 0.000 0.280 876 F C 1.784 177.485 175.800 -0.164 0.000 0.982 876 F CA -0.334 57.605 58.000 -0.102 0.000 1.276 876 F CB 0.001 38.980 39.000 -0.035 0.000 1.137 876 F HN -0.057 nan 8.300 nan 0.000 0.660 877 I N 0.744 121.233 120.570 -0.134 0.000 2.179 877 I HA -0.274 3.900 4.170 0.006 0.000 0.242 877 I C 2.269 178.176 176.117 -0.351 0.000 1.088 877 I CA 1.362 62.493 61.300 -0.282 0.000 1.357 877 I CB -0.596 37.391 38.000 -0.023 0.000 1.051 877 I HN 0.126 nan 8.210 nan 0.000 0.409 878 K N 0.578 120.842 120.400 -0.226 0.000 2.009 878 K HA -0.177 4.147 4.320 0.006 0.000 0.210 878 K C -0.171 176.220 176.600 -0.348 0.000 1.049 878 K CA 1.893 58.048 56.287 -0.221 0.000 0.929 878 K CB -1.297 31.118 32.500 -0.141 0.000 0.714 878 K HN 0.246 nan 8.250 nan 0.000 0.440 879 P HA -0.199 nan 4.420 nan 0.000 0.214 879 P C 1.473 177.998 177.300 -1.291 0.000 1.163 879 P CA 0.989 63.665 63.100 -0.707 0.000 0.883 879 P CB 0.015 31.387 31.700 -0.547 0.000 0.788 880 L N -0.032 120.511 121.223 -1.133 0.000 2.042 880 L HA -0.223 4.120 4.340 0.006 0.000 0.210 880 L C 2.338 178.789 176.870 -0.699 0.000 1.076 880 L CA 2.202 56.421 54.840 -1.035 0.000 0.749 880 L CB -0.790 40.637 42.059 -1.053 0.000 0.893 880 L HN -0.002 nan 8.230 nan 0.000 0.432 881 E N -0.036 119.820 120.200 -0.573 0.000 2.085 881 E HA -0.172 4.181 4.350 0.006 0.000 0.194 881 E C 1.990 178.472 176.600 -0.196 0.000 0.994 881 E CA 1.652 57.911 56.400 -0.235 0.000 0.801 881 E CB -0.538 29.090 29.700 -0.120 0.000 0.743 881 E HN 0.458 nan 8.360 nan 0.000 0.453 882 G N -0.586 108.044 108.800 -0.284 0.000 2.442 882 G HA2 -0.230 3.733 3.960 0.006 0.000 0.219 882 G HA3 -0.230 3.733 3.960 0.006 0.000 0.219 882 G C 1.163 176.054 174.900 -0.016 0.000 1.141 882 G CA 0.994 46.005 45.100 -0.148 0.000 0.763 882 G HN 0.245 nan 8.290 nan 0.000 0.554 883 F N 1.896 121.738 119.950 -0.180 0.000 2.060 883 F HA -0.042 4.488 4.527 0.006 0.000 0.295 883 F C 3.174 178.660 175.800 -0.524 0.000 1.120 883 F CA 1.411 59.178 58.000 -0.390 0.000 1.205 883 F CB -1.491 37.271 39.000 -0.396 0.000 0.986 883 F HN 0.244 nan 8.300 nan 0.000 0.470 884 T N -2.624 111.845 114.554 -0.142 0.000 2.867 884 T HA -0.157 4.196 4.350 0.006 0.000 0.268 884 T C 2.199 176.827 174.700 -0.120 0.000 1.057 884 T CA 1.317 63.329 62.100 -0.146 0.000 1.136 884 T CB -0.880 67.973 68.868 -0.025 0.000 0.874 884 T HN 0.272 nan 8.240 nan 0.000 0.466 885 S N 2.053 117.704 115.700 -0.082 0.000 2.368 885 S HA 0.062 4.535 4.470 0.006 0.000 0.224 885 S C 2.487 177.059 174.600 -0.048 0.000 1.029 885 S CA 1.128 59.294 58.200 -0.057 0.000 0.988 885 S CB -0.924 62.253 63.200 -0.038 0.000 0.838 885 S HN 0.729 nan 8.310 nan 0.000 0.462 886 A N 1.256 124.052 122.820 -0.040 0.000 1.933 886 A HA 0.375 4.698 4.320 0.006 0.000 0.218 886 A C 2.317 179.888 177.584 -0.021 0.000 1.175 886 A CA 1.585 53.633 52.037 0.019 0.000 0.628 886 A CB -1.159 17.917 19.000 0.127 0.000 0.814 886 A HN 0.976 nan 8.150 nan 0.000 0.444 887 A N -1.394 121.334 122.820 -0.153 0.000 2.251 887 A HA 0.302 4.625 4.320 0.006 0.000 0.209 887 A C 0.711 178.235 177.584 -0.101 0.000 1.187 887 A CA 0.517 52.467 52.037 -0.145 0.000 0.823 887 A CB -0.150 18.654 19.000 -0.326 0.000 0.846 887 A HN 0.331 nan 8.150 nan 0.000 0.486 888 K N -1.685 118.662 120.400 -0.087 0.000 3.125 888 K HA -0.181 4.142 4.320 0.006 0.000 0.268 888 K C -0.705 175.851 176.600 -0.073 0.000 1.078 888 K CA 0.636 56.880 56.287 -0.072 0.000 0.775 888 K CB -2.398 30.063 32.500 -0.064 0.000 1.253 888 K HN 0.429 nan 8.250 nan 0.000 0.486 889 L N 0.168 121.339 121.223 -0.087 0.000 2.279 889 L HA 0.517 4.860 4.340 0.006 0.000 0.262 889 L C 0.102 176.917 176.870 -0.091 0.000 1.019 889 L CA -0.495 54.298 54.840 -0.078 0.000 0.823 889 L CB 1.415 43.427 42.059 -0.078 0.000 1.358 889 L HN -0.022 nan 8.230 nan 0.000 0.432 890 D N -0.592 119.748 120.400 -0.100 0.000 2.498 890 D HA 0.216 4.859 4.640 0.006 0.000 0.247 890 D C -0.167 176.039 176.300 -0.158 0.000 1.070 890 D CA -0.185 53.706 54.000 -0.182 0.000 0.842 890 D CB 1.732 42.412 40.800 -0.201 0.000 1.361 890 D HN 0.509 nan 8.370 nan 0.000 0.484 891 Y N -0.182 119.974 120.300 -0.239 0.000 2.544 891 Y HA 0.298 4.851 4.550 0.006 0.000 0.286 891 Y C 0.251 175.971 175.900 -0.300 0.000 1.141 891 Y CA 0.028 57.933 58.100 -0.324 0.000 1.299 891 Y CB 0.368 38.461 38.460 -0.612 0.000 1.030 891 Y HN 0.099 nan 8.280 nan 0.000 0.543 892 E N 1.637 121.521 120.200 -0.527 0.000 2.234 892 E HA 0.243 4.596 4.350 0.006 0.000 0.266 892 E C -1.249 175.245 176.600 -0.177 0.000 0.877 892 E CA -0.989 55.244 56.400 -0.279 0.000 0.758 892 E CB 1.932 31.420 29.700 -0.353 0.000 1.170 892 E HN 0.083 nan 8.360 nan 0.000 0.415 893 K N 3.635 123.998 120.400 -0.060 0.000 2.316 893 K HA 0.090 4.413 4.320 0.006 0.000 0.289 893 K C -1.032 175.551 176.600 -0.028 0.000 1.070 893 K CA -0.022 56.245 56.287 -0.033 0.000 0.928 893 K CB 0.178 32.683 32.500 0.009 0.000 1.039 893 K HN 0.623 nan 8.250 nan 0.000 0.480 894 K N 2.589 122.965 120.400 -0.039 0.000 5.176 894 K HA -0.141 4.182 4.320 0.006 0.000 0.792 894 K C -0.520 176.077 176.600 -0.005 0.000 2.280 894 K CA 0.705 56.967 56.287 -0.042 0.000 1.717 894 K CB -1.395 31.060 32.500 -0.074 0.000 2.930 894 K HN 0.966 nan 8.250 nan 0.000 0.145 895 A N 2.195 125.014 122.820 -0.001 0.000 4.963 895 A HA -0.222 4.101 4.320 0.006 0.000 0.278 895 A C 0.920 178.530 177.584 0.043 0.000 2.182 895 A CA 2.349 54.401 52.037 0.024 0.000 0.716 895 A CB -2.539 16.487 19.000 0.043 0.000 1.135 895 A HN 2.481 nan 8.150 nan 0.000 0.334 896 S N -0.744 115.006 115.700 0.083 0.000 2.847 896 S HA 0.505 4.978 4.470 0.006 0.000 0.254 896 S C 0.633 175.369 174.600 0.227 0.000 1.039 896 S CA 0.864 59.132 58.200 0.112 0.000 1.113 896 S CB 0.040 63.290 63.200 0.083 0.000 1.092 896 S HN 2.101 nan 8.310 nan 0.000 0.620 897 L N -3.975 117.431 121.223 0.305 0.000 3.217 897 L HA 0.679 5.022 4.340 0.006 0.000 0.288 897 L C 1.137 178.122 176.870 0.193 0.000 1.202 897 L CA -0.207 54.729 54.840 0.161 0.000 1.027 897 L CB -0.759 41.338 42.059 0.063 0.000 1.427 897 L HN -0.036 nan 8.230 nan 0.000 0.600 898 F N 1.412 121.422 119.950 0.100 0.000 2.045 898 F HA -0.238 4.292 4.527 0.006 0.000 0.297 898 F C 2.371 178.252 175.800 0.136 0.000 1.114 898 F CA 2.439 60.559 58.000 0.200 0.000 1.207 898 F CB -0.261 38.913 39.000 0.290 0.000 0.964 898 F HN 0.320 nan 8.300 nan 0.000 0.486 899 D N -1.587 118.943 120.400 0.217 0.000 2.469 899 D HA 0.154 4.797 4.640 0.006 0.000 0.240 899 D C -0.064 176.351 176.300 0.193 0.000 1.087 899 D CA 0.489 54.638 54.000 0.249 0.000 0.876 899 D CB 0.483 41.358 40.800 0.126 0.000 1.160 899 D HN 0.092 nan 8.370 nan 0.000 0.497 900 M N 1.520 121.161 119.600 0.068 0.000 2.106 900 M HA 0.265 4.749 4.480 0.006 0.000 0.288 900 M C -0.228 175.927 176.300 -0.241 0.000 0.941 900 M CA -0.913 54.397 55.300 0.016 0.000 0.934 900 M CB 1.967 34.562 32.600 -0.008 0.000 1.551 900 M HN -0.174 nan 8.290 nan 0.000 0.437 901 F N 0.000 120.001 119.950 0.085 0.000 2.286 901 F HA 0.000 4.531 4.527 0.006 0.000 0.279 901 F CA 0.000 58.050 58.000 0.083 0.000 1.383 901 F CB 0.000 39.062 39.000 0.103 0.000 1.145 901 F HN 0.000 nan 8.300 nan 0.000 0.574