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 3ndk_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 FAIPYVYNRI KNIFGESTAK RLSPHRKTRV DATA SEQUENCE KVIENMYGSR EIITLFGISV LDYIDLYKKF SFTNQPSYSL DYISEFELNV DATA SEQUENCE GKLKYDGPIS KLRESNHQRY ISYNIIAVYR 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 LLINSLAGAL 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 FDF 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 0.000 176.356 176.300 0.093 0.000 1.140 1 M CA 0.000 55.342 55.300 0.070 0.000 0.988 1 M CB 0.000 32.660 32.600 0.100 0.000 1.302 2 K N 2.426 122.887 120.400 0.101 0.000 2.368 2 K HA 0.270 4.596 4.320 0.009 0.000 0.282 2 K C -0.458 176.332 176.600 0.317 0.000 1.035 2 K CA 0.192 56.557 56.287 0.130 0.000 0.973 2 K CB 0.703 33.235 32.500 0.054 0.000 0.957 2 K HN 0.707 nan 8.250 nan 0.000 0.474 3 E N 2.672 123.085 120.200 0.355 0.000 2.404 3 E HA 0.154 4.510 4.350 0.009 0.000 0.261 3 E C -0.250 176.743 176.600 0.655 0.000 1.074 3 E CA 0.094 56.756 56.400 0.437 0.000 0.917 3 E CB 0.355 30.299 29.700 0.406 0.000 0.965 3 E HN 0.343 nan 8.360 nan 0.000 0.433 4 F N -0.688 119.450 119.950 0.313 0.000 2.619 4 F HA 0.361 4.894 4.527 0.009 0.000 0.308 4 F C -0.796 174.991 175.800 -0.022 0.000 1.097 4 F CA -1.694 56.276 58.000 -0.050 0.000 0.953 4 F CB 0.318 39.150 39.000 -0.280 0.000 1.287 4 F HN 0.400 nan 8.300 nan 0.000 0.446 5 Y N 1.541 121.706 120.300 -0.225 0.000 2.357 5 Y HA 0.595 5.151 4.550 0.009 0.000 0.340 5 Y C -0.081 175.998 175.900 0.298 0.000 1.260 5 Y CA -0.881 57.270 58.100 0.085 0.000 1.425 5 Y CB 0.459 38.930 38.460 0.019 0.000 1.326 5 Y HN 0.747 nan 8.280 nan 0.000 0.580 6 L N 0.979 122.415 121.223 0.355 0.000 2.488 6 L HA 0.222 4.567 4.340 0.009 0.000 0.186 6 L C 0.678 177.746 176.870 0.330 0.000 1.124 6 L CA 0.745 55.746 54.840 0.269 0.000 0.838 6 L CB 0.117 42.275 42.059 0.166 0.000 1.107 6 L HN 0.914 nan 8.230 nan 0.000 0.494 7 T N -2.598 112.168 114.554 0.353 0.000 2.906 7 T HA 0.665 5.021 4.350 0.009 0.000 0.295 7 T C -1.042 173.845 174.700 0.312 0.000 1.075 7 T CA -0.663 61.621 62.100 0.307 0.000 1.005 7 T CB 2.590 71.595 68.868 0.228 0.000 1.136 7 T HN -0.130 nan 8.240 nan 0.000 0.498 8 V N 0.871 120.909 119.914 0.206 0.000 2.808 8 V HA 0.731 4.857 4.120 0.009 0.000 0.308 8 V C -1.768 174.396 176.094 0.116 0.000 1.099 8 V CA -0.488 61.898 62.300 0.143 0.000 0.920 8 V CB 1.916 33.773 31.823 0.057 0.000 1.014 8 V HN 1.077 nan 8.190 nan 0.000 0.425 9 E N 3.931 124.207 120.200 0.128 0.000 2.383 9 E HA 0.353 4.709 4.350 0.009 0.000 0.275 9 E C -1.529 175.168 176.600 0.162 0.000 0.918 9 E CA -0.620 55.884 56.400 0.174 0.000 0.764 9 E CB 2.540 32.442 29.700 0.337 0.000 1.252 9 E HN 0.744 nan 8.360 nan 0.000 0.449 10 Q N 2.352 122.273 119.800 0.200 0.000 2.340 10 Q HA 0.479 4.824 4.340 0.009 0.000 0.259 10 Q C -0.966 175.171 176.000 0.227 0.000 0.964 10 Q CA -0.354 55.564 55.803 0.192 0.000 0.900 10 Q CB 0.612 29.460 28.738 0.183 0.000 1.228 10 Q HN 0.490 nan 8.270 nan 0.000 0.449 11 I N 4.960 125.647 120.570 0.196 0.000 2.437 11 I HA 0.355 4.531 4.170 0.009 0.000 0.279 11 I C 0.838 177.015 176.117 0.099 0.000 1.028 11 I CA -0.339 61.010 61.300 0.080 0.000 1.142 11 I CB 1.146 39.108 38.000 -0.063 0.000 1.266 11 I HN 1.021 nan 8.210 nan 0.000 0.461 12 G N 5.747 114.581 108.800 0.057 0.000 2.596 12 G HA2 -0.297 3.668 3.960 0.009 0.000 0.304 12 G HA3 -0.297 3.668 3.960 0.009 0.000 0.304 12 G C 0.425 175.363 174.900 0.062 0.000 1.189 12 G CA 0.480 45.611 45.100 0.050 0.000 0.986 12 G HN 0.594 nan 8.290 nan 0.000 0.548 13 D N 1.483 121.908 120.400 0.041 0.000 2.358 13 D HA 0.400 5.045 4.640 0.009 0.000 0.224 13 D C 0.413 176.716 176.300 0.005 0.000 1.123 13 D CA 0.656 54.664 54.000 0.013 0.000 0.833 13 D CB 0.471 41.264 40.800 -0.012 0.000 0.946 13 D HN 0.220 nan 8.370 nan 0.000 0.505 14 S N 0.499 116.217 115.700 0.030 0.000 2.503 14 S HA 0.427 4.902 4.470 0.009 0.000 0.301 14 S C -0.125 174.450 174.600 -0.042 0.000 1.087 14 S CA -0.660 57.507 58.200 -0.056 0.000 1.042 14 S CB 1.971 65.095 63.200 -0.127 0.000 1.043 14 S HN 0.002 nan 8.310 nan 0.000 0.489 15 I N 3.155 123.603 120.570 -0.203 0.000 2.325 15 I HA 0.322 4.498 4.170 0.009 0.000 0.291 15 I C -0.813 175.066 176.117 -0.396 0.000 1.019 15 I CA -0.331 60.793 61.300 -0.294 0.000 1.302 15 I CB 0.240 37.828 38.000 -0.686 0.000 1.401 15 I HN 0.536 nan 8.210 nan 0.000 0.485 16 F N 5.029 124.821 119.950 -0.263 0.000 2.404 16 F HA 0.344 4.878 4.527 0.011 0.000 0.354 16 F C 0.709 176.415 175.800 -0.156 0.000 1.122 16 F CA -0.368 57.445 58.000 -0.311 0.000 1.080 16 F CB 1.086 39.648 39.000 -0.730 0.000 1.131 16 F HN 0.421 nan 8.300 nan 0.000 0.471 17 E N 4.649 124.917 120.200 0.114 0.000 2.224 17 E HA 0.415 4.771 4.350 0.009 0.000 0.265 17 E C -0.959 175.894 176.600 0.420 0.000 0.878 17 E CA -0.906 55.658 56.400 0.274 0.000 0.759 17 E CB 1.207 31.077 29.700 0.283 0.000 1.164 17 E HN 0.607 nan 8.360 nan 0.000 0.414 18 R N 3.150 123.901 120.500 0.418 0.000 2.312 18 R HA 0.396 4.741 4.340 0.009 0.000 0.311 18 R C -0.947 175.580 176.300 0.380 0.000 1.004 18 R CA -0.488 55.810 56.100 0.330 0.000 0.902 18 R CB 0.890 31.324 30.300 0.224 0.000 1.073 18 R HN 0.454 nan 8.270 nan 0.000 0.457 19 Y N -0.563 119.806 120.300 0.114 0.000 2.670 19 Y HA 0.520 5.076 4.550 0.009 0.000 0.334 19 Y C -1.326 174.508 175.900 -0.111 0.000 1.185 19 Y CA -1.585 56.544 58.100 0.048 0.000 1.053 19 Y CB 1.104 39.681 38.460 0.196 0.000 1.298 19 Y HN 0.198 nan 8.280 nan 0.000 0.459 20 I N 3.875 124.283 120.570 -0.271 0.000 2.312 20 I HA 0.181 4.357 4.170 0.009 0.000 0.290 20 I C -0.340 175.725 176.117 -0.087 0.000 1.008 20 I CA -0.497 60.551 61.300 -0.421 0.000 1.226 20 I CB 0.617 38.066 38.000 -0.918 0.000 1.371 20 I HN 0.852 nan 8.210 nan 0.000 0.468 21 D N 4.173 124.543 120.400 -0.050 0.000 2.414 21 D HA 0.034 4.680 4.640 0.009 0.000 0.251 21 D C 1.093 177.458 176.300 0.109 0.000 1.252 21 D CA -0.413 53.686 54.000 0.165 0.000 0.999 21 D CB 0.452 41.331 40.800 0.131 0.000 1.093 21 D HN 0.439 nan 8.370 nan 0.000 0.515 22 S N -0.956 114.820 115.700 0.128 0.000 2.537 22 S HA -0.134 4.342 4.470 0.009 0.000 0.240 22 S C 0.845 175.484 174.600 0.064 0.000 0.981 22 S CA 0.289 58.547 58.200 0.096 0.000 0.948 22 S CB -0.502 62.746 63.200 0.080 0.000 0.759 22 S HN 0.486 nan 8.310 nan 0.000 0.531 23 N N 0.941 119.668 118.700 0.046 0.000 2.230 23 N HA 0.228 4.974 4.740 0.009 0.000 0.202 23 N C 1.109 176.629 175.510 0.016 0.000 1.119 23 N CA 0.677 53.743 53.050 0.027 0.000 0.851 23 N CB 0.724 39.221 38.487 0.017 0.000 0.990 23 N HN 0.623 nan 8.380 nan 0.000 0.497 24 G N 1.235 110.045 108.800 0.016 0.000 2.143 24 G HA2 -0.296 3.670 3.960 0.009 0.000 0.249 24 G HA3 -0.296 3.670 3.960 0.009 0.000 0.249 24 G C 0.082 174.958 174.900 -0.039 0.000 0.981 24 G CA -0.145 44.959 45.100 0.006 0.000 0.665 24 G HN 0.295 nan 8.290 nan 0.000 0.528 25 R N 0.255 120.714 120.500 -0.068 0.000 2.540 25 R HA 0.551 4.896 4.340 0.009 0.000 0.287 25 R C 0.208 176.399 176.300 -0.182 0.000 0.980 25 R CA -0.672 55.368 56.100 -0.100 0.000 0.966 25 R CB 1.256 31.508 30.300 -0.081 0.000 1.106 25 R HN 0.356 nan 8.270 nan 0.000 0.480 26 E N 2.965 123.060 120.200 -0.175 0.000 2.290 26 E HA 0.069 4.425 4.350 0.009 0.000 0.277 26 E C -0.572 175.863 176.600 -0.276 0.000 1.035 26 E CA -0.159 56.105 56.400 -0.228 0.000 0.873 26 E CB 0.570 30.178 29.700 -0.152 0.000 1.029 26 E HN 0.278 nan 8.360 nan 0.000 0.419 27 R N 2.641 122.858 120.500 -0.472 0.000 2.867 27 R HA 0.500 4.845 4.340 0.009 0.000 0.268 27 R C -0.966 175.146 176.300 -0.313 0.000 1.014 27 R CA -0.866 54.948 56.100 -0.476 0.000 0.946 27 R CB 2.297 32.122 30.300 -0.791 0.000 1.208 27 R HN 0.479 nan 8.270 nan 0.000 0.477 28 T N 1.847 116.377 114.554 -0.040 0.000 2.893 28 T HA 0.554 4.910 4.350 0.009 0.000 0.293 28 T C -0.661 174.178 174.700 0.232 0.000 1.027 28 T CA -0.989 61.214 62.100 0.172 0.000 0.988 28 T CB 2.036 71.028 68.868 0.206 0.000 1.043 28 T HN 0.635 nan 8.240 nan 0.000 0.461 29 R N 0.905 121.563 120.500 0.263 0.000 2.698 29 R HA 0.667 5.013 4.340 0.009 0.000 0.275 29 R C -1.411 174.824 176.300 -0.108 0.000 1.001 29 R CA -1.037 55.136 56.100 0.123 0.000 0.896 29 R CB 2.088 32.497 30.300 0.181 0.000 1.218 29 R HN 0.598 nan 8.270 nan 0.000 0.462 30 E N 2.312 122.349 120.200 -0.270 0.000 2.151 30 E HA 0.388 4.743 4.350 0.009 0.000 0.275 30 E C -1.308 175.080 176.600 -0.353 0.000 0.936 30 E CA -0.926 55.094 56.400 -0.633 0.000 0.777 30 E CB 1.924 31.151 29.700 -0.789 0.000 1.108 30 E HN 0.423 nan 8.360 nan 0.000 0.401 31 V N 4.434 124.135 119.914 -0.354 0.000 2.531 31 V HA 0.177 4.303 4.120 0.009 0.000 0.301 31 V C -0.301 175.714 176.094 -0.132 0.000 1.034 31 V CA -0.789 61.410 62.300 -0.169 0.000 0.865 31 V CB 1.695 33.469 31.823 -0.082 0.000 0.995 31 V HN 0.761 nan 8.190 nan 0.000 0.424 32 E N 3.618 123.779 120.200 -0.065 0.000 2.148 32 E HA 0.100 4.456 4.350 0.009 0.000 0.308 32 E C -0.787 175.822 176.600 0.016 0.000 1.278 32 E CA -0.266 56.110 56.400 -0.040 0.000 1.368 32 E CB 0.098 29.768 29.700 -0.050 0.000 1.229 32 E HN 0.608 nan 8.360 nan 0.000 0.494 33 Y N 2.381 122.628 120.300 -0.088 0.000 2.544 33 Y HA -0.036 4.520 4.550 0.009 0.000 0.330 33 Y C -0.030 175.827 175.900 -0.071 0.000 1.136 33 Y CA -0.156 57.923 58.100 -0.034 0.000 1.417 33 Y CB 0.433 38.893 38.460 0.000 0.000 1.229 33 Y HN 0.007 nan 8.280 nan 0.000 0.532 34 K N 9.469 129.510 120.400 -0.598 0.000 2.292 34 K HA 0.292 4.618 4.320 0.009 0.000 0.270 34 K C -2.632 173.464 176.600 -0.841 0.000 1.062 34 K CA -1.756 54.202 56.287 -0.549 0.000 0.916 34 K CB 0.974 33.285 32.500 -0.315 0.000 1.166 34 K HN 0.489 nan 8.250 nan 0.000 0.458 35 P HA 0.150 nan 4.420 nan 0.000 0.276 35 P C -0.638 176.530 177.300 -0.222 0.000 1.244 35 P CA -0.505 62.272 63.100 -0.538 0.000 0.801 35 P CB 1.123 32.414 31.700 -0.682 0.000 1.006 36 S N 0.720 116.352 115.700 -0.114 0.000 2.503 36 S HA 0.652 5.128 4.470 0.009 0.000 0.301 36 S C -0.008 174.530 174.600 -0.103 0.000 1.087 36 S CA -0.530 57.542 58.200 -0.213 0.000 1.042 36 S CB 0.554 63.527 63.200 -0.378 0.000 1.043 36 S HN 0.304 nan 8.310 nan 0.000 0.489 37 L N 1.352 122.442 121.223 -0.222 0.000 2.194 37 L HA 0.751 5.097 4.340 0.009 0.000 0.248 37 L C -1.563 174.974 176.870 -0.554 0.000 1.071 37 L CA -0.909 53.895 54.840 -0.060 0.000 0.901 37 L CB 1.274 43.533 42.059 0.333 0.000 1.497 37 L HN 0.538 nan 8.230 nan 0.000 0.442 38 F N -0.073 119.922 119.950 0.075 0.000 2.578 38 F HA 0.750 5.283 4.527 0.009 0.000 0.311 38 F C -0.073 175.837 175.800 0.183 0.000 1.094 38 F CA -0.626 57.383 58.000 0.014 0.000 0.923 38 F CB 2.059 41.038 39.000 -0.035 0.000 1.230 38 F HN 0.345 nan 8.300 nan 0.000 0.450 39 A N 1.098 124.093 122.820 0.292 0.000 2.374 39 A HA 0.685 5.010 4.320 0.009 0.000 0.317 39 A C -1.198 176.474 177.584 0.146 0.000 1.094 39 A CA -0.712 51.481 52.037 0.260 0.000 0.765 39 A CB 0.473 19.697 19.000 0.372 0.000 1.268 39 A HN 0.901 nan 8.150 nan 0.000 0.438 40 H N -0.548 118.639 119.070 0.195 0.000 2.948 40 H HA 0.325 4.886 4.556 0.009 0.000 0.351 40 H C 0.623 176.020 175.328 0.115 0.000 1.079 40 H CA 1.387 57.520 56.048 0.143 0.000 1.407 40 H CB 0.452 30.288 29.762 0.124 0.000 1.373 40 H HN 0.937 nan 8.280 nan 0.000 0.605 41 C N 1.737 121.174 119.300 0.228 0.000 3.154 41 C HA 0.626 5.091 4.460 0.009 0.000 0.312 41 C C -2.621 172.433 174.990 0.107 0.000 1.349 41 C CA -2.325 56.774 59.018 0.136 0.000 1.518 41 C CB 1.153 28.949 27.740 0.093 0.000 1.934 41 C HN 0.542 nan 8.230 nan 0.000 0.462 42 P HA 0.223 nan 4.420 nan 0.000 0.272 42 P C 0.701 178.041 177.300 0.065 0.000 1.223 42 P CA 0.105 63.243 63.100 0.064 0.000 0.784 42 P CB 0.457 32.187 31.700 0.050 0.000 0.923 43 E N 1.107 121.348 120.200 0.069 0.000 2.160 43 E HA -0.190 4.166 4.350 0.009 0.000 0.195 43 E C 1.391 178.033 176.600 0.069 0.000 0.991 43 E CA 1.632 58.081 56.400 0.083 0.000 0.810 43 E CB -0.088 29.660 29.700 0.079 0.000 0.742 43 E HN 0.519 nan 8.360 nan 0.000 0.466 44 S N -0.218 115.513 115.700 0.052 0.000 2.507 44 S HA -0.159 4.317 4.470 0.009 0.000 0.235 44 S C 1.006 175.628 174.600 0.037 0.000 0.988 44 S CA 0.258 58.482 58.200 0.041 0.000 0.944 44 S CB -0.043 63.176 63.200 0.033 0.000 0.762 44 S HN 0.204 nan 8.310 nan 0.000 0.526 45 Q N 1.428 121.250 119.800 0.037 0.000 2.322 45 Q HA 0.613 4.959 4.340 0.009 0.000 0.256 45 Q C -0.539 175.473 176.000 0.020 0.000 0.960 45 Q CA -0.503 55.316 55.803 0.026 0.000 0.934 45 Q CB 1.067 29.821 28.738 0.026 0.000 1.200 45 Q HN 0.481 nan 8.270 nan 0.000 0.435 46 A N 3.703 126.534 122.820 0.017 0.000 2.454 46 A HA 0.435 4.761 4.320 0.009 0.000 0.260 46 A C -0.103 177.473 177.584 -0.014 0.000 1.106 46 A CA 0.234 52.279 52.037 0.014 0.000 0.780 46 A CB 0.736 19.747 19.000 0.018 0.000 1.044 46 A HN 0.685 nan 8.150 nan 0.000 0.498 47 T N 0.509 115.031 114.554 -0.054 0.000 2.821 47 T HA 0.475 4.831 4.350 0.009 0.000 0.306 47 T C 0.531 175.114 174.700 -0.196 0.000 1.313 47 T CA -0.113 61.912 62.100 -0.125 0.000 1.012 47 T CB 1.179 69.960 68.868 -0.146 0.000 1.298 47 T HN 0.737 nan 8.240 nan 0.000 0.502 48 K N 0.926 121.141 120.400 -0.308 0.000 2.353 48 K HA 0.236 4.561 4.320 0.009 0.000 0.195 48 K C -0.649 175.727 176.600 -0.374 0.000 1.031 48 K CA -0.119 55.990 56.287 -0.296 0.000 1.079 48 K CB 0.129 32.406 32.500 -0.371 0.000 0.857 48 K HN 0.483 nan 8.250 nan 0.000 0.535 49 Y N 0.843 121.036 120.300 -0.178 0.000 2.320 49 Y HA 0.445 5.001 4.550 0.010 0.000 0.334 49 Y C -0.529 175.110 175.900 -0.436 0.000 1.055 49 Y CA -1.219 56.790 58.100 -0.152 0.000 1.143 49 Y CB 0.754 39.200 38.460 -0.023 0.000 1.193 49 Y HN -0.175 nan 8.280 nan 0.000 0.477 50 F N 1.780 121.807 119.950 0.129 0.000 2.565 50 F HA 0.267 4.800 4.527 0.009 0.000 0.313 50 F C -0.111 175.727 175.800 0.063 0.000 1.091 50 F CA -1.427 56.635 58.000 0.103 0.000 0.915 50 F CB 1.450 40.494 39.000 0.073 0.000 1.208 50 F HN 0.522 nan 8.300 nan 0.000 0.453 51 D N 1.735 122.304 120.400 0.282 0.000 2.384 51 D HA 0.034 4.680 4.640 0.009 0.000 0.244 51 D C 1.323 177.692 176.300 0.114 0.000 1.251 51 D CA -0.283 53.832 54.000 0.190 0.000 0.961 51 D CB 0.479 41.473 40.800 0.322 0.000 1.116 51 D HN 0.638 nan 8.370 nan 0.000 0.484 52 I N -3.001 117.528 120.570 -0.069 0.000 2.700 52 I HA -0.153 4.023 4.170 0.009 0.000 0.261 52 I C 0.900 176.833 176.117 -0.308 0.000 1.219 52 I CA 0.753 61.904 61.300 -0.249 0.000 1.463 52 I CB -0.634 37.138 38.000 -0.380 0.000 1.092 52 I HN 0.232 nan 8.210 nan 0.000 0.452 53 Y N 1.890 122.274 120.300 0.140 0.000 2.466 53 Y HA 0.429 4.984 4.550 0.009 0.000 0.272 53 Y C 1.935 177.899 175.900 0.106 0.000 1.169 53 Y CA 0.218 58.390 58.100 0.119 0.000 1.285 53 Y CB 0.417 38.943 38.460 0.110 0.000 1.078 53 Y HN 0.355 nan 8.280 nan 0.000 0.523 54 G N 0.570 109.502 108.800 0.220 0.000 2.141 54 G HA2 -0.253 3.713 3.960 0.009 0.000 0.242 54 G HA3 -0.253 3.713 3.960 0.009 0.000 0.242 54 G C 0.026 175.120 174.900 0.323 0.000 0.982 54 G CA -0.465 44.736 45.100 0.169 0.000 0.662 54 G HN 0.279 nan 8.290 nan 0.000 0.527 55 K N 1.658 122.279 120.400 0.369 0.000 2.276 55 K HA 0.393 4.718 4.320 0.009 0.000 0.283 55 K C -2.306 174.556 176.600 0.436 0.000 1.044 55 K CA -1.619 54.877 56.287 0.349 0.000 0.944 55 K CB 1.630 34.241 32.500 0.185 0.000 1.012 55 K HN 0.121 nan 8.250 nan 0.000 0.472 56 P HA 0.074 nan 4.420 nan 0.000 0.271 56 P C -0.555 176.784 177.300 0.065 0.000 1.216 56 P CA -0.358 62.702 63.100 -0.066 0.000 0.776 56 P CB 0.624 32.289 31.700 -0.059 0.000 0.881 57 C N 1.579 120.864 119.300 -0.025 0.000 2.712 57 C HA 0.582 5.047 4.460 0.009 0.000 0.308 57 C C 0.302 175.390 174.990 0.162 0.000 1.201 57 C CA -0.217 58.878 59.018 0.128 0.000 1.554 57 C CB 1.864 29.696 27.740 0.153 0.000 2.117 57 C HN 0.612 nan 8.230 nan 0.000 0.480 58 T N 0.163 114.809 114.554 0.154 0.000 2.837 58 T HA 0.514 4.870 4.350 0.009 0.000 0.285 58 T C -0.397 174.296 174.700 -0.012 0.000 0.984 58 T CA -0.587 61.568 62.100 0.091 0.000 1.049 58 T CB 0.912 69.791 68.868 0.020 0.000 0.947 58 T HN 0.736 nan 8.240 nan 0.000 0.472 59 R N 1.789 122.186 120.500 -0.172 0.000 2.308 59 R HA 0.296 4.642 4.340 0.009 0.000 0.305 59 R C -0.466 175.456 176.300 -0.629 0.000 1.053 59 R CA -0.496 55.183 56.100 -0.700 0.000 0.957 59 R CB 0.445 30.275 30.300 -0.784 0.000 1.022 59 R HN 0.610 nan 8.270 nan 0.000 0.461 60 K N 5.336 125.227 120.400 -0.849 0.000 2.367 60 K HA 0.245 4.570 4.320 0.009 0.000 0.263 60 K C -0.842 175.096 176.600 -1.103 0.000 1.000 60 K CA -0.657 55.042 56.287 -0.980 0.000 0.891 60 K CB 1.476 33.209 32.500 -1.278 0.000 1.117 60 K HN 0.381 nan 8.250 nan 0.000 0.443 61 L N 5.249 125.953 121.223 -0.863 0.000 2.265 61 L HA 0.424 4.769 4.340 0.009 0.000 0.288 61 L C -1.101 175.321 176.870 -0.746 0.000 1.058 61 L CA -0.227 54.217 54.840 -0.660 0.000 0.809 61 L CB 0.090 41.904 42.059 -0.408 0.000 1.179 61 L HN 0.491 nan 8.230 nan 0.000 0.429 62 F N 2.786 122.522 119.950 -0.358 0.000 2.425 62 F HA 0.401 4.935 4.527 0.010 0.000 0.331 62 F C 1.355 176.997 175.800 -0.262 0.000 1.085 62 F CA -0.395 57.421 58.000 -0.307 0.000 1.028 62 F CB 1.549 40.357 39.000 -0.321 0.000 1.177 62 F HN 0.632 nan 8.300 nan 0.000 0.487 63 A N 2.063 124.874 122.820 -0.015 0.000 2.019 63 A HA -0.039 4.287 4.320 0.009 0.000 0.219 63 A C 0.235 177.774 177.584 -0.075 0.000 1.164 63 A CA 1.760 53.760 52.037 -0.060 0.000 0.644 63 A CB -0.991 17.984 19.000 -0.041 0.000 0.805 63 A HN 0.903 nan 8.150 nan 0.000 0.449 64 N N -4.724 113.932 118.700 -0.073 0.000 3.116 64 N HA 0.388 5.134 4.740 0.009 0.000 0.244 64 N C -0.014 175.369 175.510 -0.212 0.000 1.485 64 N CA -0.529 52.447 53.050 -0.124 0.000 0.884 64 N CB 0.238 38.679 38.487 -0.076 0.000 1.415 64 N HN -0.093 nan 8.380 nan 0.000 0.524 65 M N -0.617 118.837 119.600 -0.244 0.000 2.175 65 M HA 0.035 4.521 4.480 0.009 0.000 0.264 65 M C 1.649 177.836 176.300 -0.190 0.000 1.063 65 M CA 1.297 56.357 55.300 -0.399 0.000 1.119 65 M CB -0.259 32.207 32.600 -0.223 0.000 1.377 65 M HN 0.524 nan 8.290 nan 0.000 0.415 66 R N 0.838 121.292 120.500 -0.077 0.000 2.091 66 R HA -0.136 4.210 4.340 0.009 0.000 0.238 66 R C 1.621 177.883 176.300 -0.064 0.000 1.136 66 R CA 1.607 57.692 56.100 -0.025 0.000 0.959 66 R CB -0.584 29.711 30.300 -0.008 0.000 0.856 66 R HN 0.289 nan 8.270 nan 0.000 0.437 67 D N -0.215 120.124 120.400 -0.101 0.000 2.123 67 D HA -0.150 4.496 4.640 0.009 0.000 0.196 67 D C 1.707 177.790 176.300 -0.361 0.000 0.992 67 D CA 1.715 55.653 54.000 -0.103 0.000 0.833 67 D CB -0.361 40.447 40.800 0.014 0.000 0.954 67 D HN 0.301 nan 8.370 nan 0.000 0.455 68 A N 0.749 123.151 122.820 -0.696 0.000 1.877 68 A HA -0.182 4.144 4.320 0.009 0.000 0.216 68 A C 2.344 179.776 177.584 -0.253 0.000 1.186 68 A CA 2.571 53.934 52.037 -1.123 0.000 0.620 68 A CB -0.745 17.687 19.000 -0.946 0.000 0.822 68 A HN 0.341 nan 8.150 nan 0.000 0.443 69 S N -1.055 114.657 115.700 0.021 0.000 2.402 69 S HA -0.183 4.292 4.470 0.009 0.000 0.229 69 S C 1.886 176.505 174.600 0.031 0.000 1.021 69 S CA 1.272 59.536 58.200 0.108 0.000 0.974 69 S CB -0.375 62.915 63.200 0.150 0.000 0.800 69 S HN 0.529 nan 8.310 nan 0.000 0.484 70 Q N 0.030 119.835 119.800 0.007 0.000 2.119 70 Q HA -0.033 4.313 4.340 0.009 0.000 0.201 70 Q C 1.676 177.712 176.000 0.060 0.000 0.972 70 Q CA 1.227 57.044 55.803 0.024 0.000 0.847 70 Q CB -0.558 28.197 28.738 0.028 0.000 0.903 70 Q HN 0.861 nan 8.270 nan 0.000 0.433 71 W N 1.433 122.654 121.300 -0.131 0.000 2.358 71 W HA -0.146 4.519 4.660 0.009 0.000 0.303 71 W C 1.785 178.285 176.519 -0.032 0.000 1.208 71 W CA 1.210 58.520 57.345 -0.059 0.000 1.274 71 W CB -0.389 29.029 29.460 -0.070 0.000 1.138 71 W HN 0.043 nan 8.180 nan 0.000 0.515 72 I N 0.853 121.408 120.570 -0.025 0.000 2.163 72 I HA -0.387 3.788 4.170 0.009 0.000 0.243 72 I C 2.507 178.501 176.117 -0.206 0.000 1.085 72 I CA 1.780 62.978 61.300 -0.169 0.000 1.347 72 I CB -0.668 37.320 38.000 -0.020 0.000 1.044 72 I HN -0.072 nan 8.210 nan 0.000 0.408 73 K N 0.409 120.739 120.400 -0.118 0.000 2.097 73 K HA -0.136 4.189 4.320 0.009 0.000 0.206 73 K C 2.283 178.806 176.600 -0.128 0.000 1.049 73 K CA 1.216 57.443 56.287 -0.100 0.000 0.933 73 K CB -0.159 32.309 32.500 -0.052 0.000 0.717 73 K HN 0.324 nan 8.250 nan 0.000 0.442 74 R N 0.028 120.439 120.500 -0.149 0.000 2.092 74 R HA 0.007 4.353 4.340 0.009 0.000 0.231 74 R C 2.297 178.455 176.300 -0.236 0.000 1.119 74 R CA 0.948 56.957 56.100 -0.151 0.000 0.970 74 R CB -0.100 30.143 30.300 -0.094 0.000 0.864 74 R HN 0.159 nan 8.270 nan 0.000 0.440 75 M N 0.422 119.772 119.600 -0.417 0.000 2.175 75 M HA -0.132 4.353 4.480 0.009 0.000 0.264 75 M C 2.046 178.196 176.300 -0.250 0.000 1.063 75 M CA 1.415 56.450 55.300 -0.441 0.000 1.119 75 M CB -0.684 31.458 32.600 -0.763 0.000 1.377 75 M HN 0.200 nan 8.290 nan 0.000 0.415 76 E N 0.482 120.557 120.200 -0.208 0.000 2.077 76 E HA -0.217 4.138 4.350 0.009 0.000 0.193 76 E C 1.320 177.859 176.600 -0.102 0.000 0.989 76 E CA 1.274 57.594 56.400 -0.133 0.000 0.800 76 E CB 0.170 29.803 29.700 -0.111 0.000 0.746 76 E HN 0.369 nan 8.360 nan 0.000 0.452 77 D N 0.415 120.755 120.400 -0.100 0.000 2.149 77 D HA -0.160 4.486 4.640 0.009 0.000 0.198 77 D C 1.977 178.239 176.300 -0.064 0.000 0.990 77 D CA 1.006 54.964 54.000 -0.071 0.000 0.839 77 D CB -0.152 40.611 40.800 -0.062 0.000 0.948 77 D HN 0.337 nan 8.370 nan 0.000 0.460 78 I N -0.327 120.195 120.570 -0.080 0.000 2.439 78 I HA -0.013 4.163 4.170 0.009 0.000 0.251 78 I C 1.349 177.434 176.117 -0.053 0.000 1.139 78 I CA 0.863 62.127 61.300 -0.060 0.000 1.438 78 I CB -0.091 37.870 38.000 -0.066 0.000 1.085 78 I HN 0.091 nan 8.210 nan 0.000 0.427 79 G N 1.795 110.554 108.800 -0.068 0.000 2.270 79 G HA2 -0.182 3.784 3.960 0.009 0.000 0.224 79 G HA3 -0.182 3.784 3.960 0.009 0.000 0.224 79 G C -0.333 174.541 174.900 -0.043 0.000 1.079 79 G CA -0.499 44.569 45.100 -0.053 0.000 0.807 79 G HN 0.205 nan 8.290 nan 0.000 0.492 80 L N -0.266 120.918 121.223 -0.065 0.000 2.401 80 L HA 0.526 4.871 4.340 0.009 0.000 0.266 80 L C 0.561 177.393 176.870 -0.064 0.000 0.991 80 L CA -1.007 53.810 54.840 -0.037 0.000 0.818 80 L CB 2.111 44.153 42.059 -0.029 0.000 1.321 80 L HN 0.308 nan 8.230 nan 0.000 0.413 81 E N 1.997 122.200 120.200 0.005 0.000 2.417 81 E HA 0.243 4.599 4.350 0.009 0.000 0.261 81 E C -0.551 176.028 176.600 -0.036 0.000 1.000 81 E CA -0.265 56.137 56.400 0.002 0.000 0.919 81 E CB 0.972 30.723 29.700 0.085 0.000 0.955 81 E HN 0.603 nan 8.360 nan 0.000 0.455 82 A N 5.938 128.715 122.820 -0.072 0.000 2.341 82 A HA 0.363 4.688 4.320 0.009 0.000 0.326 82 A C -0.817 176.855 177.584 0.148 0.000 1.402 82 A CA -0.637 51.388 52.037 -0.020 0.000 0.957 82 A CB 0.172 19.030 19.000 -0.235 0.000 1.151 82 A HN 0.535 nan 8.150 nan 0.000 0.533 83 L N 1.985 123.350 121.223 0.235 0.000 2.439 83 L HA 0.825 5.170 4.340 0.009 0.000 0.259 83 L C 1.013 178.081 176.870 0.330 0.000 1.129 83 L CA 1.123 56.082 54.840 0.199 0.000 0.803 83 L CB 0.940 43.061 42.059 0.103 0.000 1.161 83 L HN 1.187 nan 8.230 nan 0.000 0.462 84 G N 1.264 110.203 108.800 0.233 0.000 2.479 84 G HA2 0.015 3.981 3.960 0.009 0.000 0.686 84 G HA3 0.015 3.981 3.960 0.009 0.000 0.686 84 G C -1.008 173.947 174.900 0.091 0.000 1.295 84 G CA -0.755 44.517 45.100 0.286 0.000 0.922 84 G HN 0.553 nan 8.290 nan 0.000 0.582 85 M N 2.311 121.890 119.600 -0.035 0.000 2.350 85 M HA 0.293 4.779 4.480 0.009 0.000 0.338 85 M C 1.545 177.751 176.300 -0.156 0.000 1.559 85 M CA -0.358 54.757 55.300 -0.308 0.000 1.217 85 M CB 0.149 32.206 32.600 -0.906 0.000 1.808 85 M HN 0.597 nan 8.290 nan 0.000 0.458 86 D N 1.665 121.924 120.400 -0.235 0.000 2.323 86 D HA -0.072 4.574 4.640 0.009 0.000 0.209 86 D C -0.299 175.541 176.300 -0.767 0.000 0.973 86 D CA 0.248 53.988 54.000 -0.433 0.000 0.874 86 D CB -0.234 40.410 40.800 -0.260 0.000 0.930 86 D HN 0.526 nan 8.370 nan 0.000 0.521 87 D N 0.035 120.159 120.400 -0.459 0.000 2.422 87 D HA 0.022 4.667 4.640 0.009 0.000 0.227 87 D C 0.381 176.554 176.300 -0.211 0.000 1.190 87 D CA -0.602 53.184 54.000 -0.358 0.000 0.905 87 D CB 0.030 40.717 40.800 -0.189 0.000 1.034 87 D HN -0.143 nan 8.370 nan 0.000 0.507 88 F N 2.745 122.717 119.950 0.037 0.000 2.293 88 F HA -0.111 4.422 4.527 0.009 0.000 0.300 88 F C 2.379 178.230 175.800 0.085 0.000 1.086 88 F CA 0.739 58.813 58.000 0.124 0.000 1.375 88 F CB -0.446 38.663 39.000 0.181 0.000 1.045 88 F HN 0.464 nan 8.300 nan 0.000 0.516 89 K N 0.642 121.144 120.400 0.170 0.000 2.148 89 K HA -0.094 4.231 4.320 0.009 0.000 0.204 89 K C 1.859 178.509 176.600 0.083 0.000 1.050 89 K CA 1.344 57.681 56.287 0.082 0.000 0.942 89 K CB -0.765 31.756 32.500 0.034 0.000 0.724 89 K HN 0.306 nan 8.250 nan 0.000 0.446 90 L N 1.157 122.418 121.223 0.064 0.000 2.093 90 L HA -0.104 4.242 4.340 0.009 0.000 0.208 90 L C 2.878 179.891 176.870 0.239 0.000 1.085 90 L CA 1.161 56.060 54.840 0.098 0.000 0.755 90 L CB -0.667 41.419 42.059 0.045 0.000 0.904 90 L HN 0.332 nan 8.230 nan 0.000 0.435 91 A N -0.477 122.480 122.820 0.228 0.000 1.902 91 A HA -0.286 4.040 4.320 0.009 0.000 0.217 91 A C 2.201 179.928 177.584 0.237 0.000 1.181 91 A CA 1.510 53.789 52.037 0.403 0.000 0.623 91 A CB -0.895 18.387 19.000 0.471 0.000 0.818 91 A HN 0.481 nan 8.150 nan 0.000 0.443 92 Y N 0.551 120.722 120.300 -0.215 0.000 2.097 92 Y HA -0.215 4.341 4.550 0.010 0.000 0.282 92 Y C 1.985 177.762 175.900 -0.205 0.000 1.152 92 Y CA 2.045 59.781 58.100 -0.607 0.000 1.136 92 Y CB -0.291 37.688 38.460 -0.802 0.000 0.975 92 Y HN 0.213 nan 8.280 nan 0.000 0.498 93 L N -0.782 120.386 121.223 -0.093 0.000 2.083 93 L HA -0.248 4.097 4.340 0.009 0.000 0.209 93 L C 2.833 179.686 176.870 -0.029 0.000 1.083 93 L CA 1.624 56.420 54.840 -0.074 0.000 0.752 93 L CB -0.826 41.163 42.059 -0.117 0.000 0.899 93 L HN 0.268 nan 8.230 nan 0.000 0.433 94 S N -0.412 115.307 115.700 0.032 0.000 2.368 94 S HA -0.197 4.278 4.470 0.009 0.000 0.225 94 S C 1.611 176.183 174.600 -0.046 0.000 1.030 94 S CA 1.569 59.777 58.200 0.013 0.000 0.999 94 S CB -0.150 63.092 63.200 0.070 0.000 0.844 94 S HN 0.404 nan 8.310 nan 0.000 0.459 95 D N 0.408 120.776 120.400 -0.054 0.000 2.123 95 D HA -0.017 4.629 4.640 0.009 0.000 0.200 95 D C 1.997 178.161 176.300 -0.226 0.000 0.976 95 D CA 1.433 55.387 54.000 -0.077 0.000 0.831 95 D CB -0.664 40.150 40.800 0.022 0.000 0.974 95 D HN 0.424 nan 8.370 nan 0.000 0.469 96 T N -0.765 113.517 114.554 -0.454 0.000 2.978 96 T HA -0.070 4.285 4.350 0.009 0.000 0.262 96 T C 0.452 174.662 174.700 -0.817 0.000 1.063 96 T CA 0.648 62.318 62.100 -0.717 0.000 1.140 96 T CB -0.034 68.159 68.868 -1.124 0.000 0.886 96 T HN 0.165 nan 8.240 nan 0.000 0.470 97 Y N 1.585 121.736 120.300 -0.248 0.000 2.553 97 Y HA 0.426 4.982 4.550 0.009 0.000 0.369 97 Y C 0.440 176.035 175.900 -0.508 0.000 0.964 97 Y CA -1.359 56.472 58.100 -0.448 0.000 1.156 97 Y CB -0.133 38.131 38.460 -0.326 0.000 1.218 97 Y HN -0.057 nan 8.280 nan 0.000 0.630 98 N N 2.641 121.230 118.700 -0.186 0.000 3.254 98 N HA 0.096 4.842 4.740 0.009 0.000 0.308 98 N C -1.388 174.189 175.510 0.112 0.000 1.281 98 N CA 0.059 53.084 53.050 -0.042 0.000 1.212 98 N CB -0.661 37.836 38.487 0.018 0.000 1.478 98 N HN 0.507 nan 8.380 nan 0.000 0.548 99 Y N -2.427 117.918 120.300 0.074 0.000 2.741 99 Y HA 0.335 4.891 4.550 0.010 0.000 0.339 99 Y C -0.468 175.479 175.900 0.077 0.000 1.226 99 Y CA -1.478 56.661 58.100 0.065 0.000 1.072 99 Y CB 0.439 38.943 38.460 0.072 0.000 1.331 99 Y HN 0.002 nan 8.280 nan 0.000 0.453 100 E N 1.985 122.340 120.200 0.257 0.000 2.328 100 E HA 0.263 4.619 4.350 0.009 0.000 0.265 100 E C -0.802 175.959 176.600 0.268 0.000 1.057 100 E CA -0.204 56.301 56.400 0.175 0.000 0.916 100 E CB 0.329 30.120 29.700 0.152 0.000 0.993 100 E HN 0.563 nan 8.360 nan 0.000 0.446 101 I N 4.779 125.438 120.570 0.147 0.000 2.598 101 I HA -0.018 4.158 4.170 0.009 0.000 0.284 101 I C 0.345 176.517 176.117 0.092 0.000 1.140 101 I CA 0.330 61.715 61.300 0.142 0.000 1.420 101 I CB 0.446 38.465 38.000 0.032 0.000 1.387 101 I HN 0.355 nan 8.210 nan 0.000 0.553 102 K N 7.546 127.982 120.400 0.060 0.000 2.367 102 K HA 0.302 4.628 4.320 0.009 0.000 0.263 102 K C -0.978 175.410 176.600 -0.354 0.000 1.000 102 K CA -0.488 55.740 56.287 -0.099 0.000 0.891 102 K CB 0.547 33.021 32.500 -0.042 0.000 1.117 102 K HN 0.364 nan 8.250 nan 0.000 0.443 103 Y N 0.020 119.901 120.300 -0.699 0.000 2.419 103 Y HA 0.642 5.198 4.550 0.010 0.000 0.328 103 Y C -0.460 174.973 175.900 -0.779 0.000 1.162 103 Y CA -1.317 55.957 58.100 -1.376 0.000 1.174 103 Y CB 1.249 38.704 38.460 -1.675 0.000 1.228 103 Y HN 0.405 nan 8.280 nan 0.000 0.473 104 D N 1.289 121.274 120.400 -0.692 0.000 2.461 104 D HA 0.104 4.750 4.640 0.009 0.000 0.240 104 D C 0.472 176.800 176.300 0.046 0.000 1.094 104 D CA -0.572 53.308 54.000 -0.200 0.000 0.868 104 D CB 0.141 40.937 40.800 -0.007 0.000 1.062 104 D HN 0.881 nan 8.370 nan 0.000 0.530 105 H N 1.009 120.127 119.070 0.079 0.000 2.489 105 H HA -0.115 4.447 4.556 0.009 0.000 0.293 105 H C 1.491 176.920 175.328 0.169 0.000 1.066 105 H CA 1.911 58.092 56.048 0.221 0.000 1.305 105 H CB -0.168 29.732 29.762 0.230 0.000 1.386 105 H HN 0.300 nan 8.280 nan 0.000 0.551 106 T N -2.064 112.204 114.554 -0.478 0.000 3.035 106 T HA -0.026 4.330 4.350 0.009 0.000 0.268 106 T C 1.480 176.154 174.700 -0.044 0.000 1.109 106 T CA 0.542 62.462 62.100 -0.300 0.000 1.119 106 T CB -0.047 68.637 68.868 -0.305 0.000 0.900 106 T HN 0.248 nan 8.240 nan 0.000 0.503 107 K N 0.657 121.089 120.400 0.054 0.000 2.393 107 K HA 0.371 4.697 4.320 0.009 0.000 0.193 107 K C 0.516 177.190 176.600 0.125 0.000 1.026 107 K CA -0.031 56.316 56.287 0.100 0.000 1.064 107 K CB 0.214 32.812 32.500 0.162 0.000 0.833 107 K HN 0.509 nan 8.250 nan 0.000 0.521 108 I N 2.028 122.706 120.570 0.181 0.000 2.325 108 I HA 0.170 4.345 4.170 0.009 0.000 0.291 108 I C 0.516 176.702 176.117 0.115 0.000 1.019 108 I CA -0.643 60.767 61.300 0.184 0.000 1.302 108 I CB 0.898 39.060 38.000 0.271 0.000 1.401 108 I HN -0.170 nan 8.210 nan 0.000 0.485 109 R N 6.066 126.599 120.500 0.055 0.000 2.291 109 R HA 0.348 4.694 4.340 0.009 0.000 0.333 109 R C -1.204 175.117 176.300 0.035 0.000 1.082 109 R CA -0.276 55.830 56.100 0.010 0.000 0.948 109 R CB 0.437 30.695 30.300 -0.071 0.000 1.009 109 R HN 0.457 nan 8.270 nan 0.000 0.460 110 V N 4.321 124.284 119.914 0.080 0.000 2.350 110 V HA 0.468 4.594 4.120 0.009 0.000 0.276 110 V C 0.075 176.237 176.094 0.114 0.000 1.028 110 V CA -0.733 61.639 62.300 0.121 0.000 0.860 110 V CB 1.254 33.191 31.823 0.190 0.000 0.990 110 V HN 0.851 nan 8.190 nan 0.000 0.453 111 A N 4.319 127.184 122.820 0.075 0.000 2.304 111 A HA 0.723 5.049 4.320 0.009 0.000 0.323 111 A C -0.302 177.359 177.584 0.129 0.000 1.195 111 A CA -0.631 51.420 52.037 0.023 0.000 0.826 111 A CB 0.594 19.500 19.000 -0.158 0.000 1.184 111 A HN 0.829 nan 8.150 nan 0.000 0.496 112 N N 1.382 120.195 118.700 0.189 0.000 2.483 112 N HA 0.657 5.403 4.740 0.009 0.000 0.267 112 N C -1.048 174.666 175.510 0.341 0.000 0.998 112 N CA -0.376 52.849 53.050 0.293 0.000 0.918 112 N CB 0.887 39.544 38.487 0.283 0.000 1.215 112 N HN 0.603 nan 8.380 nan 0.000 0.500 113 F N 1.260 121.292 119.950 0.136 0.000 2.620 113 F HA 0.772 5.303 4.527 0.008 0.000 0.320 113 F C -1.315 174.630 175.800 0.241 0.000 1.069 113 F CA -1.211 56.910 58.000 0.202 0.000 0.953 113 F CB 1.671 40.814 39.000 0.238 0.000 1.322 113 F HN 0.253 nan 8.300 nan 0.000 0.479 114 D N 1.774 122.178 120.400 0.007 0.000 2.859 114 D HA 0.596 5.242 4.640 0.009 0.000 0.223 114 D C -1.351 174.957 176.300 0.013 0.000 1.218 114 D CA -0.420 53.514 54.000 -0.110 0.000 0.850 114 D CB 2.298 43.118 40.800 0.033 0.000 1.656 114 D HN 0.869 nan 8.370 nan 0.000 0.484 115 I N -0.947 119.621 120.570 -0.004 0.000 2.846 115 I HA 0.743 4.919 4.170 0.009 0.000 0.307 115 I C -0.927 175.220 176.117 0.050 0.000 1.053 115 I CA -0.687 60.645 61.300 0.053 0.000 1.050 115 I CB 2.184 40.213 38.000 0.047 0.000 1.239 115 I HN 0.082 nan 8.210 nan 0.000 0.439 116 E N 3.788 124.007 120.200 0.030 0.000 2.199 116 E HA 0.605 4.961 4.350 0.009 0.000 0.269 116 E C -1.298 175.354 176.600 0.086 0.000 0.899 116 E CA -0.760 55.653 56.400 0.021 0.000 0.772 116 E CB 2.872 32.501 29.700 -0.119 0.000 1.155 116 E HN 0.517 nan 8.360 nan 0.000 0.408 117 V N 2.295 122.246 119.914 0.062 0.000 2.524 117 V HA 0.224 4.350 4.120 0.009 0.000 0.297 117 V C -0.140 175.964 176.094 0.016 0.000 1.035 117 V CA -0.755 61.549 62.300 0.006 0.000 0.867 117 V CB 1.998 33.679 31.823 -0.236 0.000 1.004 117 V HN 0.598 nan 8.190 nan 0.000 0.426 118 T N 3.462 118.045 114.554 0.049 0.000 2.851 118 T HA 0.376 4.731 4.350 0.009 0.000 0.298 118 T C 0.153 174.628 174.700 -0.375 0.000 0.977 118 T CA 0.197 62.236 62.100 -0.102 0.000 1.126 118 T CB 0.952 69.774 68.868 -0.077 0.000 0.916 118 T HN 0.689 nan 8.240 nan 0.000 0.529 119 S N 3.685 119.096 115.700 -0.481 0.000 2.750 119 S HA 0.434 4.910 4.470 0.009 0.000 0.276 119 S C -1.931 172.383 174.600 -0.478 0.000 1.165 119 S CA -1.371 56.372 58.200 -0.761 0.000 1.047 119 S CB 1.397 64.196 63.200 -0.669 0.000 1.056 119 S HN 0.433 nan 8.310 nan 0.000 0.481 120 P HA 0.081 nan 4.420 nan 0.000 0.221 120 P C 0.185 177.426 177.300 -0.100 0.000 1.155 120 P CA 0.761 63.718 63.100 -0.237 0.000 0.812 120 P CB -0.155 31.415 31.700 -0.216 0.000 0.801 121 D N -0.299 120.066 120.400 -0.059 0.000 2.889 121 D HA 0.367 5.013 4.640 0.009 0.000 0.243 121 D C 0.997 177.337 176.300 0.068 0.000 1.270 121 D CA -0.428 53.598 54.000 0.042 0.000 0.838 121 D CB -0.456 40.412 40.800 0.114 0.000 1.040 121 D HN 0.254 nan 8.370 nan 0.000 0.480 122 G N 0.129 108.952 108.800 0.038 0.000 2.548 122 G HA2 -0.171 3.795 3.960 0.009 0.000 0.208 122 G HA3 -0.171 3.795 3.960 0.009 0.000 0.208 122 G C -0.723 174.252 174.900 0.126 0.000 1.308 122 G CA -0.689 44.472 45.100 0.102 0.000 0.924 122 G HN 0.322 nan 8.290 nan 0.000 0.540 123 F N 3.966 123.949 119.950 0.056 0.000 2.578 123 F HA 0.502 5.031 4.527 0.003 0.000 0.381 123 F C -1.039 174.854 175.800 0.155 0.000 1.069 123 F CA -1.111 56.928 58.000 0.066 0.000 1.231 123 F CB 0.779 39.814 39.000 0.058 0.000 1.086 123 F HN 0.327 nan 8.300 nan 0.000 0.564 124 P HA 0.050 nan 4.420 nan 0.000 0.277 124 P C -0.989 176.293 177.300 -0.030 0.000 1.354 124 P CA -0.102 62.959 63.100 -0.066 0.000 0.891 124 P CB 0.591 32.292 31.700 0.001 0.000 1.058 125 E N 5.746 126.076 120.200 0.217 0.000 2.351 125 E HA 0.031 4.387 4.350 0.009 0.000 0.266 125 E C -1.283 175.481 176.600 0.273 0.000 1.031 125 E CA -1.591 54.999 56.400 0.318 0.000 0.911 125 E CB 0.536 30.399 29.700 0.272 0.000 0.986 125 E HN 0.376 nan 8.360 nan 0.000 0.446 126 P HA -0.133 nan 4.420 nan 0.000 0.216 126 P C 1.168 178.444 177.300 -0.040 0.000 1.150 126 P CA 1.057 64.236 63.100 0.132 0.000 0.843 126 P CB 0.374 32.185 31.700 0.185 0.000 0.787 127 S N -0.687 115.038 115.700 0.042 0.000 2.423 127 S HA -0.114 4.362 4.470 0.009 0.000 0.231 127 S C 1.997 176.574 174.600 -0.037 0.000 1.014 127 S CA 1.041 59.247 58.200 0.010 0.000 0.965 127 S CB -0.421 62.807 63.200 0.046 0.000 0.785 127 S HN 0.341 nan 8.310 nan 0.000 0.495 128 Q N 0.155 119.930 119.800 -0.043 0.000 2.226 128 Q HA 0.343 4.689 4.340 0.009 0.000 0.199 128 Q C 1.001 176.891 176.000 -0.184 0.000 0.945 128 Q CA 0.475 56.234 55.803 -0.073 0.000 0.861 128 Q CB -0.121 28.607 28.738 -0.016 0.000 0.953 128 Q HN 0.454 nan 8.270 nan 0.000 0.490 129 A N 2.238 124.862 122.820 -0.326 0.000 2.511 129 A HA -0.267 4.059 4.320 0.009 0.000 0.297 129 A C 1.026 178.440 177.584 -0.284 0.000 1.476 129 A CA 1.380 53.004 52.037 -0.689 0.000 0.757 129 A CB -1.667 16.781 19.000 -0.921 0.000 1.072 129 A HN 0.553 nan 8.150 nan 0.000 0.413 130 K N -0.751 119.557 120.400 -0.153 0.000 2.393 130 K HA 0.148 4.474 4.320 0.009 0.000 0.193 130 K C 0.228 176.678 176.600 -0.250 0.000 1.026 130 K CA 0.714 56.864 56.287 -0.229 0.000 1.064 130 K CB 0.136 32.461 32.500 -0.291 0.000 0.833 130 K HN 0.796 nan 8.250 nan 0.000 0.521 131 H N 1.200 120.420 119.070 0.251 0.000 2.529 131 H HA 0.348 4.912 4.556 0.012 0.000 0.348 131 H C -2.641 172.868 175.328 0.302 0.000 1.152 131 H CA -2.304 53.930 56.048 0.310 0.000 1.202 131 H CB 1.403 31.351 29.762 0.310 0.000 1.562 131 H HN -0.060 nan 8.280 nan 0.000 0.515 132 P HA -0.002 nan 4.420 nan 0.000 0.268 132 P C -0.275 177.166 177.300 0.236 0.000 1.205 132 P CA 0.202 63.440 63.100 0.230 0.000 0.771 132 P CB 0.558 32.351 31.700 0.154 0.000 0.858 133 I N 3.368 124.052 120.570 0.190 0.000 2.379 133 I HA 0.036 4.212 4.170 0.009 0.000 0.290 133 I C 0.873 177.068 176.117 0.131 0.000 1.063 133 I CA 0.371 61.750 61.300 0.132 0.000 1.351 133 I CB 0.537 38.597 38.000 0.099 0.000 1.410 133 I HN 0.428 nan 8.210 nan 0.000 0.505 134 D N 4.278 124.781 120.400 0.171 0.000 2.398 134 D HA 0.332 4.978 4.640 0.009 0.000 0.210 134 D C 0.101 176.567 176.300 0.278 0.000 1.094 134 D CA -0.123 54.011 54.000 0.224 0.000 0.839 134 D CB 0.707 41.652 40.800 0.242 0.000 0.963 134 D HN 0.406 nan 8.370 nan 0.000 0.506 135 A N 0.247 123.197 122.820 0.217 0.000 2.540 135 A HA 0.666 4.992 4.320 0.009 0.000 0.297 135 A C -1.600 176.060 177.584 0.126 0.000 1.056 135 A CA -0.786 51.366 52.037 0.192 0.000 0.700 135 A CB 1.124 20.216 19.000 0.154 0.000 1.280 135 A HN 0.144 nan 8.150 nan 0.000 0.398 136 I N 1.522 122.194 120.570 0.170 0.000 2.534 136 I HA 0.420 4.596 4.170 0.009 0.000 0.288 136 I C -0.532 175.797 176.117 0.352 0.000 1.077 136 I CA -0.373 61.030 61.300 0.173 0.000 1.051 136 I CB 2.686 40.610 38.000 -0.127 0.000 1.234 136 I HN 0.558 nan 8.210 nan 0.000 0.425 137 T N 3.642 118.407 114.554 0.352 0.000 2.779 137 T HA 0.336 4.691 4.350 0.009 0.000 0.280 137 T C -0.939 174.125 174.700 0.608 0.000 0.987 137 T CA -0.388 61.975 62.100 0.439 0.000 0.966 137 T CB 0.611 69.661 68.868 0.304 0.000 0.933 137 T HN 0.516 nan 8.240 nan 0.000 0.442 138 H N 2.488 121.926 119.070 0.614 0.000 2.860 138 H HA 0.430 4.991 4.556 0.009 0.000 0.312 138 H C -1.415 174.280 175.328 0.613 0.000 0.995 138 H CA -0.810 55.647 56.048 0.681 0.000 1.311 138 H CB 0.491 30.730 29.762 0.796 0.000 1.478 138 H HN 0.677 nan 8.280 nan 0.000 0.508 139 Y N 4.660 125.159 120.300 0.330 0.000 2.304 139 Y HA 0.218 4.773 4.550 0.009 0.000 0.328 139 Y C -0.622 175.396 175.900 0.197 0.000 1.123 139 Y CA -0.307 57.845 58.100 0.086 0.000 1.218 139 Y CB 0.849 39.121 38.460 -0.312 0.000 1.207 139 Y HN 0.637 nan 8.280 nan 0.000 0.495 140 D N 3.658 123.752 120.400 -0.511 0.000 2.408 140 D HA 0.096 4.741 4.640 0.009 0.000 0.243 140 D C 0.428 176.321 176.300 -0.678 0.000 1.075 140 D CA 0.009 53.835 54.000 -0.289 0.000 0.832 140 D CB 1.959 42.817 40.800 0.096 0.000 1.162 140 D HN 0.767 nan 8.370 nan 0.000 0.515 141 S N 3.504 119.036 115.700 -0.281 0.000 2.428 141 S HA -0.084 4.391 4.470 0.009 0.000 0.230 141 S C 2.009 176.595 174.600 -0.023 0.000 1.014 141 S CA 0.365 58.533 58.200 -0.053 0.000 0.957 141 S CB -0.136 63.173 63.200 0.181 0.000 0.784 141 S HN 0.624 nan 8.310 nan 0.000 0.499 142 I N 2.035 122.581 120.570 -0.040 0.000 2.233 142 I HA -0.099 4.076 4.170 0.009 0.000 0.243 142 I C 1.860 177.969 176.117 -0.012 0.000 1.093 142 I CA 1.408 62.700 61.300 -0.013 0.000 1.380 142 I CB -0.345 37.642 38.000 -0.022 0.000 1.067 142 I HN 0.222 nan 8.210 nan 0.000 0.413 143 D N 0.153 120.541 120.400 -0.020 0.000 2.269 143 D HA -0.147 4.499 4.640 0.009 0.000 0.208 143 D C 0.585 176.873 176.300 -0.020 0.000 0.963 143 D CA 0.919 54.934 54.000 0.025 0.000 0.864 143 D CB -0.419 40.470 40.800 0.149 0.000 0.936 143 D HN 0.223 nan 8.370 nan 0.000 0.505 144 D N 0.205 120.527 120.400 -0.130 0.000 2.699 144 D HA -0.179 4.467 4.640 0.009 0.000 0.239 144 D C -0.878 175.384 176.300 -0.063 0.000 1.136 144 D CA 0.541 54.490 54.000 -0.086 0.000 0.668 144 D CB -0.377 40.486 40.800 0.105 0.000 1.060 144 D HN 0.043 nan 8.370 nan 0.000 0.429 145 R N 0.225 120.560 120.500 -0.274 0.000 2.744 145 R HA 0.482 4.827 4.340 0.009 0.000 0.279 145 R C -0.524 175.640 176.300 -0.228 0.000 0.977 145 R CA -0.696 55.289 56.100 -0.192 0.000 0.906 145 R CB 0.710 30.774 30.300 -0.394 0.000 1.197 145 R HN 0.006 nan 8.270 nan 0.000 0.463 146 F N 2.246 122.205 119.950 0.015 0.000 2.371 146 F HA 0.340 4.872 4.527 0.009 0.000 0.363 146 F C 0.084 175.853 175.800 -0.051 0.000 1.122 146 F CA -0.502 57.590 58.000 0.154 0.000 1.129 146 F CB 0.513 39.611 39.000 0.165 0.000 1.173 146 F HN 0.280 nan 8.300 nan 0.000 0.489 147 Y N 2.618 123.103 120.300 0.308 0.000 2.383 147 Y HA 0.473 5.029 4.550 0.009 0.000 0.344 147 Y C -0.079 175.859 175.900 0.062 0.000 0.986 147 Y CA -0.840 57.298 58.100 0.063 0.000 1.175 147 Y CB 0.911 39.309 38.460 -0.104 0.000 1.152 147 Y HN 0.201 nan 8.280 nan 0.000 0.511 148 V N 5.558 125.467 119.914 -0.009 0.000 2.370 148 V HA 0.310 4.436 4.120 0.009 0.000 0.283 148 V C -0.689 175.308 176.094 -0.162 0.000 1.023 148 V CA -0.945 61.375 62.300 0.032 0.000 0.857 148 V CB 0.416 32.245 31.823 0.009 0.000 0.985 148 V HN 0.443 nan 8.190 nan 0.000 0.443 149 F N 3.019 123.049 119.950 0.134 0.000 2.375 149 F HA 0.523 5.056 4.527 0.011 0.000 0.361 149 F C 0.079 176.006 175.800 0.211 0.000 1.117 149 F CA -0.770 57.366 58.000 0.227 0.000 1.037 149 F CB 1.369 40.454 39.000 0.142 0.000 1.192 149 F HN 0.425 nan 8.300 nan 0.000 0.452 150 D N 3.781 124.401 120.400 0.366 0.000 2.492 150 D HA 0.290 4.935 4.640 0.009 0.000 0.248 150 D C -1.370 175.156 176.300 0.377 0.000 1.101 150 D CA -0.553 53.656 54.000 0.348 0.000 0.840 150 D CB 1.566 42.591 40.800 0.374 0.000 1.209 150 D HN 0.367 nan 8.370 nan 0.000 0.524 151 L N 5.289 126.715 121.223 0.339 0.000 2.283 151 L HA 0.302 4.648 4.340 0.009 0.000 0.287 151 L C 0.335 177.311 176.870 0.176 0.000 1.073 151 L CA 0.051 55.046 54.840 0.259 0.000 0.822 151 L CB 0.502 42.680 42.059 0.199 0.000 1.186 151 L HN 0.616 nan 8.230 nan 0.000 0.436 152 L N 3.615 124.916 121.223 0.130 0.000 2.270 152 L HA 0.168 4.513 4.340 0.009 0.000 0.210 152 L C 0.179 177.048 176.870 -0.002 0.000 1.104 152 L CA 0.267 55.119 54.840 0.021 0.000 0.804 152 L CB -0.266 41.815 42.059 0.036 0.000 0.937 152 L HN 0.618 nan 8.230 nan 0.000 0.450 153 N N 0.161 118.884 118.700 0.038 0.000 2.399 153 N HA 0.330 5.076 4.740 0.009 0.000 0.280 153 N C -1.029 174.490 175.510 0.015 0.000 1.008 153 N CA 0.083 53.143 53.050 0.017 0.000 0.894 153 N CB 2.260 40.760 38.487 0.021 0.000 1.273 153 N HN -0.139 nan 8.380 nan 0.000 0.486 154 S N 1.478 117.173 115.700 -0.008 0.000 2.564 154 S HA 0.529 5.005 4.470 0.009 0.000 0.274 154 S C -2.033 172.506 174.600 -0.103 0.000 1.124 154 S CA -1.404 56.775 58.200 -0.035 0.000 0.869 154 S CB 1.533 64.748 63.200 0.024 0.000 1.105 154 S HN 0.200 nan 8.310 nan 0.000 0.472 155 P HA -0.064 nan 4.420 nan 0.000 0.221 155 P C 0.251 177.363 177.300 -0.314 0.000 1.145 155 P CA 1.247 64.149 63.100 -0.330 0.000 0.795 155 P CB -0.166 31.215 31.700 -0.531 0.000 0.775 156 Y N -0.265 120.042 120.300 0.012 0.000 2.468 156 Y HA 0.510 5.064 4.550 0.006 0.000 0.268 156 Y C 1.492 177.376 175.900 -0.027 0.000 1.177 156 Y CA -0.035 58.062 58.100 -0.004 0.000 1.265 156 Y CB -0.029 38.426 38.460 -0.008 0.000 1.103 156 Y HN -0.042 nan 8.280 nan 0.000 0.522 157 G N 0.167 109.004 108.800 0.062 0.000 2.306 157 G HA2 -0.022 3.943 3.960 0.009 0.000 0.340 157 G HA3 -0.022 3.943 3.960 0.009 0.000 0.340 157 G C -1.658 173.234 174.900 -0.013 0.000 1.630 157 G CA -1.323 43.788 45.100 0.019 0.000 0.937 157 G HN -0.040 nan 8.290 nan 0.000 0.693 158 N N -0.086 118.600 118.700 -0.023 0.000 2.426 158 N HA 0.672 5.418 4.740 0.009 0.000 0.275 158 N C 0.479 175.950 175.510 -0.065 0.000 1.019 158 N CA -0.175 52.852 53.050 -0.038 0.000 0.941 158 N CB 1.981 40.455 38.487 -0.022 0.000 1.123 158 N HN 1.136 nan 8.380 nan 0.000 0.486 159 V N -1.105 118.736 119.914 -0.122 0.000 3.046 159 V HA 0.621 4.746 4.120 0.009 0.000 0.316 159 V C 0.166 176.169 176.094 -0.152 0.000 1.104 159 V CA -0.969 61.215 62.300 -0.193 0.000 1.006 159 V CB 2.118 33.661 31.823 -0.466 0.000 1.058 159 V HN 0.329 nan 8.190 nan 0.000 0.440 160 E N 0.621 120.768 120.200 -0.089 0.000 2.345 160 E HA 0.355 4.711 4.350 0.009 0.000 0.259 160 E C -0.184 176.470 176.600 0.091 0.000 1.117 160 E CA -0.371 56.034 56.400 0.009 0.000 0.913 160 E CB 0.886 30.611 29.700 0.041 0.000 1.057 160 E HN 0.810 nan 8.360 nan 0.000 0.432 161 E N 0.531 120.835 120.200 0.173 0.000 2.415 161 E HA -0.060 4.296 4.350 0.009 0.000 0.262 161 E C -0.427 176.382 176.600 0.349 0.000 1.038 161 E CA -0.022 56.584 56.400 0.344 0.000 0.921 161 E CB 0.499 30.382 29.700 0.305 0.000 0.950 161 E HN 0.325 nan 8.360 nan 0.000 0.438 162 W N 2.674 124.074 121.300 0.166 0.000 2.181 162 W HA 0.053 4.719 4.660 0.010 0.000 0.335 162 W C -0.133 176.192 176.519 -0.322 0.000 1.310 162 W CA -0.131 57.121 57.345 -0.155 0.000 1.226 162 W CB 0.809 30.064 29.460 -0.342 0.000 1.155 162 W HN 0.200 nan 8.180 nan 0.000 0.565 163 S N 6.974 122.139 115.700 -0.891 0.000 2.438 163 S HA 0.207 4.683 4.470 0.009 0.000 0.316 163 S C 0.709 174.429 174.600 -1.468 0.000 1.084 163 S CA -0.763 56.897 58.200 -0.900 0.000 1.107 163 S CB 0.654 63.569 63.200 -0.474 0.000 0.981 163 S HN 0.696 nan 8.310 nan 0.000 0.466 164 I N 4.365 124.115 120.570 -1.367 0.000 2.394 164 I HA -0.098 4.077 4.170 0.009 0.000 0.251 164 I C 1.706 177.491 176.117 -0.554 0.000 1.136 164 I CA 1.464 62.086 61.300 -1.129 0.000 1.425 164 I CB 0.126 37.789 38.000 -0.562 0.000 1.079 164 I HN 0.698 nan 8.210 nan 0.000 0.425 165 E N 0.901 120.847 120.200 -0.425 0.000 2.051 165 E HA -0.198 4.158 4.350 0.009 0.000 0.192 165 E C 2.067 178.525 176.600 -0.237 0.000 0.991 165 E CA 1.636 57.881 56.400 -0.258 0.000 0.799 165 E CB -0.272 29.309 29.700 -0.197 0.000 0.748 165 E HN 0.514 nan 8.360 nan 0.000 0.449 166 I N 0.714 121.110 120.570 -0.291 0.000 2.315 166 I HA -0.219 3.957 4.170 0.009 0.000 0.248 166 I C 2.296 178.300 176.117 -0.189 0.000 1.117 166 I CA 0.839 62.010 61.300 -0.216 0.000 1.404 166 I CB -0.313 37.562 38.000 -0.209 0.000 1.071 166 I HN 0.093 nan 8.210 nan 0.000 0.419 167 A N 0.893 123.543 122.820 -0.283 0.000 1.940 167 A HA -0.203 4.123 4.320 0.009 0.000 0.219 167 A C 2.504 180.066 177.584 -0.037 0.000 1.176 167 A CA 2.011 53.989 52.037 -0.100 0.000 0.631 167 A CB -0.719 18.267 19.000 -0.024 0.000 0.814 167 A HN 0.444 nan 8.150 nan 0.000 0.446 168 A N -0.479 122.287 122.820 -0.090 0.000 1.968 168 A HA 0.059 4.385 4.320 0.009 0.000 0.217 168 A C 1.281 178.840 177.584 -0.042 0.000 1.169 168 A CA 0.682 52.685 52.037 -0.056 0.000 0.638 168 A CB -0.174 18.782 19.000 -0.075 0.000 0.812 168 A HN 0.535 nan 8.150 nan 0.000 0.446 169 K N -0.205 120.163 120.400 -0.053 0.000 2.276 169 K HA 0.321 4.647 4.320 0.009 0.000 0.259 169 K C -0.660 175.930 176.600 -0.016 0.000 1.001 169 K CA -0.603 55.661 56.287 -0.038 0.000 0.927 169 K CB 0.402 32.873 32.500 -0.049 0.000 0.969 169 K HN 0.145 nan 8.250 nan 0.000 0.490 170 L N 2.631 123.847 121.223 -0.011 0.000 2.483 170 L HA -0.114 4.232 4.340 0.009 0.000 0.275 170 L C 1.844 178.720 176.870 0.009 0.000 1.220 170 L CA 0.713 55.554 54.840 0.001 0.000 0.833 170 L CB 0.329 42.386 42.059 -0.003 0.000 1.102 170 L HN 0.580 nan 8.230 nan 0.000 0.490 171 Q N 1.205 121.020 119.800 0.024 0.000 2.181 171 Q HA -0.222 4.123 4.340 0.009 0.000 0.205 171 Q C 1.448 177.460 176.000 0.019 0.000 0.980 171 Q CA 1.603 57.426 55.803 0.034 0.000 0.862 171 Q CB 0.032 28.800 28.738 0.050 0.000 0.905 171 Q HN 0.646 nan 8.270 nan 0.000 0.429 172 E N 0.483 120.690 120.200 0.011 0.000 2.347 172 E HA -0.099 4.257 4.350 0.009 0.000 0.196 172 E C 1.284 177.883 176.600 -0.001 0.000 1.008 172 E CA 0.539 56.942 56.400 0.005 0.000 0.852 172 E CB 0.084 29.785 29.700 0.002 0.000 0.783 172 E HN 0.357 nan 8.360 nan 0.000 0.505 173 Q N -0.941 118.856 119.800 -0.005 0.000 2.319 173 Q HA 0.182 4.528 4.340 0.009 0.000 0.202 173 Q C 0.575 176.566 176.000 -0.015 0.000 0.896 173 Q CA 0.358 56.153 55.803 -0.013 0.000 0.942 173 Q CB 0.867 29.593 28.738 -0.019 0.000 1.083 173 Q HN 0.355 nan 8.270 nan 0.000 0.510 174 G N 0.111 108.907 108.800 -0.007 0.000 2.141 174 G HA2 -0.222 3.744 3.960 0.009 0.000 0.242 174 G HA3 -0.222 3.744 3.960 0.009 0.000 0.242 174 G C 0.329 175.220 174.900 -0.015 0.000 0.982 174 G CA -0.231 44.864 45.100 -0.009 0.000 0.662 174 G HN 0.510 nan 8.290 nan 0.000 0.527 175 G N -1.023 107.770 108.800 -0.011 0.000 2.532 175 G HA2 0.527 4.493 3.960 0.009 0.000 0.291 175 G HA3 0.527 4.493 3.960 0.009 0.000 0.291 175 G C 0.279 175.191 174.900 0.020 0.000 1.349 175 G CA 0.444 45.534 45.100 -0.015 0.000 1.038 175 G HN 0.063 nan 8.290 nan 0.000 0.518 176 D N -0.995 119.428 120.400 0.038 0.000 2.441 176 D HA 0.083 4.728 4.640 0.009 0.000 0.210 176 D C 0.336 176.724 176.300 0.145 0.000 1.102 176 D CA 0.036 54.104 54.000 0.114 0.000 0.840 176 D CB 0.626 41.500 40.800 0.124 0.000 0.990 176 D HN 0.629 nan 8.370 nan 0.000 0.505 177 E N 0.519 120.765 120.200 0.077 0.000 2.389 177 E HA -0.156 4.200 4.350 0.009 0.000 0.243 177 E C -0.589 176.047 176.600 0.060 0.000 1.154 177 E CA -0.164 56.269 56.400 0.056 0.000 0.723 177 E CB -0.951 28.781 29.700 0.053 0.000 1.261 177 E HN 0.033 nan 8.360 nan 0.000 0.390 178 V N 1.312 121.263 119.914 0.061 0.000 2.485 178 V HA 0.051 4.176 4.120 0.009 0.000 0.287 178 V C -1.679 174.402 176.094 -0.022 0.000 1.022 178 V CA -0.724 61.594 62.300 0.031 0.000 1.067 178 V CB 0.407 32.265 31.823 0.060 0.000 0.967 178 V HN 0.147 nan 8.190 nan 0.000 0.479 179 P HA -0.029 nan 4.420 nan 0.000 0.260 179 P C 0.996 178.241 177.300 -0.090 0.000 1.172 179 P CA 0.536 63.609 63.100 -0.045 0.000 0.760 179 P CB 0.565 32.258 31.700 -0.012 0.000 0.773 180 S N 3.426 119.098 115.700 -0.047 0.000 2.387 180 S HA -0.205 4.271 4.470 0.009 0.000 0.230 180 S C 1.583 176.151 174.600 -0.053 0.000 1.035 180 S CA 1.589 59.763 58.200 -0.043 0.000 1.014 180 S CB -0.563 62.623 63.200 -0.023 0.000 0.836 180 S HN 0.610 nan 8.310 nan 0.000 0.466 181 E N 1.378 121.545 120.200 -0.054 0.000 2.409 181 E HA -0.133 4.222 4.350 0.009 0.000 0.198 181 E C 1.800 178.347 176.600 -0.089 0.000 1.024 181 E CA 1.237 57.613 56.400 -0.040 0.000 0.861 181 E CB -0.538 29.169 29.700 0.012 0.000 0.788 181 E HN 0.904 nan 8.360 nan 0.000 0.521 182 I N -3.242 117.202 120.570 -0.209 0.000 4.181 182 I HA 0.120 4.296 4.170 0.009 0.000 0.331 182 I C 1.848 177.871 176.117 -0.156 0.000 1.312 182 I CA -0.429 60.722 61.300 -0.248 0.000 1.146 182 I CB 0.044 37.619 38.000 -0.709 0.000 1.074 182 I HN -0.239 nan 8.210 nan 0.000 0.402 183 I N 2.765 123.270 120.570 -0.109 0.000 2.151 183 I HA -0.272 3.903 4.170 0.009 0.000 0.243 183 I C 1.737 177.859 176.117 0.009 0.000 1.080 183 I CA 1.832 63.109 61.300 -0.039 0.000 1.339 183 I CB -1.065 36.915 38.000 -0.033 0.000 1.039 183 I HN 0.370 nan 8.210 nan 0.000 0.409 184 D N 0.672 121.080 120.400 0.013 0.000 2.348 184 D HA -0.097 4.549 4.640 0.009 0.000 0.216 184 D C 1.655 177.992 176.300 0.061 0.000 0.970 184 D CA 0.712 54.733 54.000 0.034 0.000 0.889 184 D CB -0.022 40.796 40.800 0.030 0.000 0.912 184 D HN 0.442 nan 8.370 nan 0.000 0.524 185 K N 0.057 120.512 120.400 0.091 0.000 2.372 185 K HA 0.230 4.555 4.320 0.009 0.000 0.200 185 K C 0.458 177.173 176.600 0.191 0.000 1.022 185 K CA -0.076 56.311 56.287 0.166 0.000 1.125 185 K CB 1.163 33.846 32.500 0.306 0.000 0.855 185 K HN 0.077 nan 8.250 nan 0.000 0.524 186 I N 2.001 122.644 120.570 0.123 0.000 2.342 186 I HA 0.210 4.386 4.170 0.009 0.000 0.291 186 I C -0.126 176.035 176.117 0.074 0.000 1.010 186 I CA -0.533 60.837 61.300 0.117 0.000 1.308 186 I CB 1.039 39.113 38.000 0.123 0.000 1.400 186 I HN -0.092 nan 8.210 nan 0.000 0.488 187 I N 7.175 127.737 120.570 -0.014 0.000 2.359 187 I HA 0.190 4.365 4.170 0.009 0.000 0.284 187 I C -0.943 175.193 176.117 0.032 0.000 1.018 187 I CA -0.694 60.589 61.300 -0.029 0.000 1.173 187 I CB 0.973 38.853 38.000 -0.199 0.000 1.326 187 I HN 0.459 nan 8.210 nan 0.000 0.462 188 Y N 8.053 128.345 120.300 -0.013 0.000 2.328 188 Y HA 0.620 5.175 4.550 0.009 0.000 0.337 188 Y C -0.723 175.131 175.900 -0.076 0.000 1.008 188 Y CA -0.909 57.185 58.100 -0.010 0.000 1.129 188 Y CB 1.223 39.805 38.460 0.203 0.000 1.185 188 Y HN 0.465 nan 8.280 nan 0.000 0.476 189 M N 10.226 129.368 119.600 -0.764 0.000 2.022 189 M HA 0.347 4.833 4.480 0.009 0.000 0.298 189 M C -2.689 173.022 176.300 -0.982 0.000 0.909 189 M CA -1.820 52.996 55.300 -0.805 0.000 0.914 189 M CB 1.816 34.048 32.600 -0.613 0.000 1.486 189 M HN 0.419 nan 8.290 nan 0.000 0.415 190 P HA 0.498 nan 4.420 nan 0.000 0.281 190 P C -1.288 175.610 177.300 -0.669 0.000 1.249 190 P CA -0.214 62.547 63.100 -0.566 0.000 0.810 190 P CB 0.867 32.408 31.700 -0.264 0.000 1.008 191 F N 0.452 120.404 119.950 0.004 0.000 2.578 191 F HA 0.212 4.745 4.527 0.011 0.000 0.311 191 F C 1.349 177.175 175.800 0.045 0.000 1.094 191 F CA -0.471 57.553 58.000 0.039 0.000 0.923 191 F CB 1.822 40.868 39.000 0.077 0.000 1.230 191 F HN 0.262 nan 8.300 nan 0.000 0.450 192 D N 0.107 120.634 120.400 0.212 0.000 2.347 192 D HA -0.013 4.633 4.640 0.009 0.000 0.213 192 D C -0.315 176.059 176.300 0.123 0.000 0.985 192 D CA 0.572 54.650 54.000 0.129 0.000 0.879 192 D CB -0.249 40.602 40.800 0.084 0.000 0.919 192 D HN 0.662 nan 8.370 nan 0.000 0.526 193 N N -1.540 117.257 118.700 0.161 0.000 2.396 193 N HA 0.074 4.820 4.740 0.009 0.000 0.275 193 N C 0.160 175.726 175.510 0.094 0.000 1.218 193 N CA -0.855 52.257 53.050 0.104 0.000 0.812 193 N CB 1.837 40.367 38.487 0.072 0.000 1.592 193 N HN -0.217 nan 8.380 nan 0.000 0.480 194 E N 0.565 120.796 120.200 0.052 0.000 2.110 194 E HA -0.175 4.181 4.350 0.009 0.000 0.193 194 E C 0.804 177.422 176.600 0.030 0.000 0.988 194 E CA 1.204 57.620 56.400 0.028 0.000 0.804 194 E CB 0.098 29.810 29.700 0.020 0.000 0.745 194 E HN 0.602 nan 8.360 nan 0.000 0.458 195 K N 0.359 120.794 120.400 0.058 0.000 2.032 195 K HA -0.202 4.124 4.320 0.009 0.000 0.209 195 K C 2.164 178.879 176.600 0.192 0.000 1.048 195 K CA 1.662 58.065 56.287 0.194 0.000 0.927 195 K CB -0.068 32.519 32.500 0.144 0.000 0.712 195 K HN 0.007 nan 8.250 nan 0.000 0.441 196 E N 1.028 121.281 120.200 0.088 0.000 2.077 196 E HA -0.148 4.208 4.350 0.009 0.000 0.193 196 E C 1.830 178.281 176.600 -0.248 0.000 0.989 196 E CA 0.730 57.155 56.400 0.043 0.000 0.800 196 E CB -0.075 29.736 29.700 0.186 0.000 0.746 196 E HN 0.203 nan 8.360 nan 0.000 0.452 197 L N -0.000 120.927 121.223 -0.493 0.000 2.012 197 L HA -0.221 4.124 4.340 0.009 0.000 0.210 197 L C 2.040 178.614 176.870 -0.494 0.000 1.073 197 L CA 1.399 55.611 54.840 -1.047 0.000 0.748 197 L CB -0.128 41.602 42.059 -0.548 0.000 0.891 197 L HN 0.220 nan 8.230 nan 0.000 0.431 198 L N -1.077 120.031 121.223 -0.192 0.000 2.109 198 L HA -0.194 4.152 4.340 0.009 0.000 0.207 198 L C 2.638 179.446 176.870 -0.102 0.000 1.086 198 L CA 1.122 55.922 54.840 -0.067 0.000 0.760 198 L CB -0.337 41.786 42.059 0.107 0.000 0.910 198 L HN 0.335 nan 8.230 nan 0.000 0.437 199 M N -0.831 118.682 119.600 -0.144 0.000 2.117 199 M HA -0.183 4.303 4.480 0.009 0.000 0.262 199 M C 2.225 178.474 176.300 -0.086 0.000 1.065 199 M CA 1.496 56.674 55.300 -0.203 0.000 1.114 199 M CB -0.328 32.164 32.600 -0.180 0.000 1.361 199 M HN 0.155 nan 8.290 nan 0.000 0.408 200 E N -0.320 119.861 120.200 -0.031 0.000 2.106 200 E HA -0.191 4.164 4.350 0.009 0.000 0.192 200 E C 1.761 178.464 176.600 0.172 0.000 0.984 200 E CA 1.294 57.770 56.400 0.126 0.000 0.806 200 E CB -0.515 29.354 29.700 0.282 0.000 0.750 200 E HN 0.531 nan 8.360 nan 0.000 0.458 201 Y N 1.302 121.504 120.300 -0.164 0.000 2.181 201 Y HA -0.150 4.405 4.550 0.009 0.000 0.288 201 Y C 2.187 178.072 175.900 -0.024 0.000 1.146 201 Y CA 1.232 59.135 58.100 -0.329 0.000 1.164 201 Y CB -0.322 37.768 38.460 -0.616 0.000 0.982 201 Y HN -0.051 nan 8.280 nan 0.000 0.515 202 L N -0.269 120.884 121.223 -0.116 0.000 2.093 202 L HA -0.229 4.116 4.340 0.009 0.000 0.208 202 L C 1.965 178.792 176.870 -0.071 0.000 1.085 202 L CA 1.705 56.444 54.840 -0.168 0.000 0.755 202 L CB -0.583 41.352 42.059 -0.207 0.000 0.904 202 L HN 0.299 nan 8.230 nan 0.000 0.435 203 N N -0.440 118.247 118.700 -0.022 0.000 2.142 203 N HA -0.213 4.532 4.740 0.009 0.000 0.186 203 N C 1.777 177.304 175.510 0.028 0.000 1.023 203 N CA 1.013 54.068 53.050 0.008 0.000 0.852 203 N CB -0.132 38.380 38.487 0.040 0.000 0.998 203 N HN 0.178 nan 8.380 nan 0.000 0.424 204 F N 1.346 121.246 119.950 -0.083 0.000 2.069 204 F HA -0.210 4.322 4.527 0.009 0.000 0.298 204 F C 2.218 177.872 175.800 -0.243 0.000 1.113 204 F CA 1.337 59.251 58.000 -0.143 0.000 1.214 204 F CB -0.419 38.549 39.000 -0.052 0.000 0.978 204 F HN 0.192 nan 8.300 nan 0.000 0.474 205 W N 1.333 122.286 121.300 -0.579 0.000 2.321 205 W HA -0.259 4.408 4.660 0.013 0.000 0.306 205 W C 2.152 178.389 176.519 -0.470 0.000 1.217 205 W CA 2.101 59.048 57.345 -0.664 0.000 1.257 205 W CB -0.684 28.425 29.460 -0.585 0.000 1.145 205 W HN 0.195 nan 8.180 nan 0.000 0.509 206 Q N 0.073 119.833 119.800 -0.067 0.000 2.124 206 Q HA -0.197 4.149 4.340 0.009 0.000 0.202 206 Q C 2.282 178.171 176.000 -0.185 0.000 0.977 206 Q CA 1.670 57.423 55.803 -0.084 0.000 0.850 206 Q CB -0.782 27.929 28.738 -0.045 0.000 0.901 206 Q HN 0.267 nan 8.270 nan 0.000 0.429 207 Q N 0.074 119.727 119.800 -0.245 0.000 2.123 207 Q HA -0.021 4.325 4.340 0.009 0.000 0.199 207 Q C 0.128 175.917 176.000 -0.353 0.000 0.966 207 Q CA 1.087 56.739 55.803 -0.251 0.000 0.845 207 Q CB 0.275 28.885 28.738 -0.214 0.000 0.907 207 Q HN 0.247 nan 8.270 nan 0.000 0.439 208 K N 1.051 121.103 120.400 -0.581 0.000 2.877 208 K HA 0.254 4.580 4.320 0.009 0.000 0.176 208 K C -0.939 175.243 176.600 -0.696 0.000 1.075 208 K CA -0.097 55.814 56.287 -0.627 0.000 0.939 208 K CB 1.134 33.126 32.500 -0.846 0.000 1.237 208 K HN -0.149 nan 8.250 nan 0.000 0.607 209 T N 3.499 117.730 114.554 -0.538 0.000 2.769 209 T HA 0.126 4.482 4.350 0.009 0.000 0.293 209 T C -2.299 172.099 174.700 -0.503 0.000 0.931 209 T CA -1.288 60.443 62.100 -0.615 0.000 1.139 209 T CB 0.245 68.908 68.868 -0.343 0.000 0.881 209 T HN 0.115 nan 8.240 nan 0.000 0.532 210 P HA 0.085 nan 4.420 nan 0.000 0.266 210 P C 0.527 177.716 177.300 -0.185 0.000 1.195 210 P CA -0.142 62.737 63.100 -0.368 0.000 0.768 210 P CB 0.648 32.087 31.700 -0.435 0.000 0.838 211 V N 3.108 122.976 119.914 -0.077 0.000 2.490 211 V HA 0.043 4.169 4.120 0.009 0.000 0.238 211 V C 1.019 177.135 176.094 0.036 0.000 1.056 211 V CA 1.128 63.427 62.300 -0.000 0.000 1.075 211 V CB -0.156 31.691 31.823 0.040 0.000 0.746 211 V HN 0.407 nan 8.190 nan 0.000 0.479 212 I N 2.183 122.785 120.570 0.054 0.000 2.315 212 I HA 0.371 4.547 4.170 0.009 0.000 0.291 212 I C -0.656 175.522 176.117 0.102 0.000 1.006 212 I CA -0.326 61.027 61.300 0.088 0.000 1.265 212 I CB 1.109 39.176 38.000 0.111 0.000 1.387 212 I HN 0.096 nan 8.210 nan 0.000 0.475 213 L N 6.927 128.233 121.223 0.138 0.000 2.305 213 L HA 0.632 4.978 4.340 0.009 0.000 0.284 213 L C -0.054 176.978 176.870 0.270 0.000 1.013 213 L CA 0.455 55.411 54.840 0.193 0.000 0.819 213 L CB 1.601 43.793 42.059 0.221 0.000 1.227 213 L HN 0.736 nan 8.230 nan 0.000 0.417 214 T N 2.554 117.300 114.554 0.319 0.000 2.669 214 T HA 0.969 5.325 4.350 0.009 0.000 0.283 214 T C -0.498 174.419 174.700 0.363 0.000 1.019 214 T CA -0.053 62.255 62.100 0.347 0.000 1.039 214 T CB 1.410 70.509 68.868 0.385 0.000 1.374 214 T HN 1.130 nan 8.240 nan 0.000 0.523 215 G N -0.221 108.787 108.800 0.347 0.000 2.340 215 G HA2 0.169 4.135 3.960 0.009 0.000 0.282 215 G HA3 0.169 4.135 3.960 0.009 0.000 0.282 215 G C -2.072 173.042 174.900 0.357 0.000 1.312 215 G CA -0.525 44.750 45.100 0.291 0.000 0.942 215 G HN 0.716 nan 8.290 nan 0.000 0.495 216 W N 1.873 123.226 121.300 0.088 0.000 2.329 216 W HA 0.475 5.141 4.660 0.010 0.000 0.312 216 W C 0.460 177.028 176.519 0.083 0.000 1.054 216 W CA -0.109 57.296 57.345 0.100 0.000 1.245 216 W CB 0.759 30.258 29.460 0.064 0.000 1.255 216 W HN 0.729 nan 8.180 nan 0.000 0.436 217 N N 2.829 121.426 118.700 -0.172 0.000 2.741 217 N HA -0.233 4.513 4.740 0.009 0.000 0.250 217 N C 0.997 176.560 175.510 0.088 0.000 1.115 217 N CA 1.477 54.492 53.050 -0.058 0.000 0.724 217 N CB -1.523 36.986 38.487 0.036 0.000 1.090 217 N HN 0.427 nan 8.380 nan 0.000 0.558 218 V N -2.161 117.797 119.914 0.074 0.000 2.407 218 V HA -0.146 3.979 4.120 0.009 0.000 0.248 218 V C 2.053 178.234 176.094 0.145 0.000 1.055 218 V CA 2.313 64.675 62.300 0.103 0.000 1.049 218 V CB -0.356 31.557 31.823 0.150 0.000 0.662 218 V HN 0.357 nan 8.190 nan 0.000 0.455 219 E N 1.417 121.673 120.200 0.093 0.000 2.106 219 E HA -0.171 4.185 4.350 0.009 0.000 0.192 219 E C 2.229 178.864 176.600 0.057 0.000 0.984 219 E CA 1.545 57.981 56.400 0.062 0.000 0.806 219 E CB -0.065 29.628 29.700 -0.011 0.000 0.750 219 E HN 0.880 nan 8.360 nan 0.000 0.458 220 S N -1.297 114.446 115.700 0.072 0.000 2.486 220 S HA 0.028 4.503 4.470 0.009 0.000 0.220 220 S C 1.410 176.165 174.600 0.258 0.000 1.011 220 S CA -0.091 58.177 58.200 0.113 0.000 0.921 220 S CB 0.085 63.324 63.200 0.064 0.000 0.785 220 S HN 0.373 nan 8.310 nan 0.000 0.517 221 F N 1.177 121.195 119.950 0.114 0.000 2.362 221 F HA 0.596 5.127 4.527 0.006 0.000 0.264 221 F C 2.342 178.246 175.800 0.174 0.000 0.905 221 F CA 0.392 58.494 58.000 0.170 0.000 1.142 221 F CB -0.471 38.636 39.000 0.179 0.000 1.250 221 F HN 0.150 nan 8.300 nan 0.000 0.771 222 A N 1.366 124.198 122.820 0.020 0.000 1.865 222 A HA -0.137 4.188 4.320 0.009 0.000 0.217 222 A C 2.092 179.756 177.584 0.134 0.000 1.191 222 A CA 2.251 54.232 52.037 -0.092 0.000 0.623 222 A CB -1.342 17.510 19.000 -0.245 0.000 0.826 222 A HN 0.520 nan 8.150 nan 0.000 0.444 223 I N 0.286 121.010 120.570 0.257 0.000 2.142 223 I HA -0.158 4.018 4.170 0.009 0.000 0.240 223 I C -0.467 175.741 176.117 0.153 0.000 1.078 223 I CA 1.552 63.025 61.300 0.287 0.000 1.343 223 I CB -1.118 37.041 38.000 0.265 0.000 1.046 223 I HN 0.248 nan 8.210 nan 0.000 0.405 224 P HA -0.212 nan 4.420 nan 0.000 0.217 224 P C 1.567 178.887 177.300 0.033 0.000 1.150 224 P CA 1.648 64.784 63.100 0.061 0.000 0.832 224 P CB -0.164 31.564 31.700 0.047 0.000 0.787 225 Y N 0.810 121.011 120.300 -0.165 0.000 2.114 225 Y HA -0.196 4.361 4.550 0.013 0.000 0.284 225 Y C 2.406 178.246 175.900 -0.100 0.000 1.143 225 Y CA 1.383 59.343 58.100 -0.234 0.000 1.135 225 Y CB -1.000 37.092 38.460 -0.613 0.000 0.980 225 Y HN -0.308 nan 8.280 nan 0.000 0.499 226 V N -0.583 119.424 119.914 0.154 0.000 2.255 226 V HA -0.355 3.771 4.120 0.009 0.000 0.247 226 V C 2.028 178.145 176.094 0.038 0.000 1.051 226 V CA 2.299 64.671 62.300 0.120 0.000 1.018 226 V CB -1.163 30.753 31.823 0.156 0.000 0.641 226 V HN 0.565 nan 8.190 nan 0.000 0.445 227 Y N 1.648 121.912 120.300 -0.061 0.000 2.097 227 Y HA -0.269 4.285 4.550 0.005 0.000 0.282 227 Y C 2.591 178.432 175.900 -0.097 0.000 1.152 227 Y CA 2.255 60.303 58.100 -0.087 0.000 1.136 227 Y CB -0.289 38.129 38.460 -0.071 0.000 0.975 227 Y HN 0.273 nan 8.280 nan 0.000 0.498 228 N N 0.079 118.777 118.700 -0.004 0.000 2.244 228 N HA -0.144 4.602 4.740 0.009 0.000 0.183 228 N C 1.913 177.281 175.510 -0.237 0.000 1.016 228 N CA 1.171 54.142 53.050 -0.132 0.000 0.866 228 N CB -0.355 38.059 38.487 -0.123 0.000 0.980 228 N HN 0.282 nan 8.380 nan 0.000 0.430 229 R N 1.366 121.712 120.500 -0.257 0.000 2.066 229 R HA 0.143 4.489 4.340 0.009 0.000 0.232 229 R C 2.147 178.371 176.300 -0.127 0.000 1.131 229 R CA 0.855 56.834 56.100 -0.202 0.000 0.955 229 R CB -0.625 29.615 30.300 -0.101 0.000 0.851 229 R HN 0.160 nan 8.270 nan 0.000 0.432 230 I N 0.629 121.144 120.570 -0.092 0.000 2.208 230 I HA -0.301 3.875 4.170 0.009 0.000 0.245 230 I C 2.452 178.531 176.117 -0.063 0.000 1.097 230 I CA 1.517 62.820 61.300 0.005 0.000 1.363 230 I CB -0.355 37.616 38.000 -0.049 0.000 1.051 230 I HN 0.257 nan 8.210 nan 0.000 0.413 231 K N 0.969 121.223 120.400 -0.243 0.000 2.032 231 K HA -0.228 4.097 4.320 0.009 0.000 0.209 231 K C 1.947 178.452 176.600 -0.158 0.000 1.048 231 K CA 1.851 57.989 56.287 -0.247 0.000 0.927 231 K CB -0.043 32.247 32.500 -0.350 0.000 0.712 231 K HN 0.260 nan 8.250 nan 0.000 0.441 232 N N 0.733 119.333 118.700 -0.167 0.000 2.120 232 N HA -0.133 4.613 4.740 0.009 0.000 0.188 232 N C 1.840 177.237 175.510 -0.189 0.000 1.024 232 N CA 1.276 54.231 53.050 -0.158 0.000 0.852 232 N CB -0.139 38.250 38.487 -0.163 0.000 1.003 232 N HN 0.273 nan 8.380 nan 0.000 0.424 233 I N -1.215 119.201 120.570 -0.256 0.000 2.400 233 I HA -0.101 4.075 4.170 0.009 0.000 0.248 233 I C 1.048 176.834 176.117 -0.552 0.000 1.109 233 I CA 0.997 62.013 61.300 -0.474 0.000 1.425 233 I CB -0.017 37.561 38.000 -0.703 0.000 1.094 233 I HN -0.027 nan 8.210 nan 0.000 0.425 234 F N 0.055 119.940 119.950 -0.108 0.000 2.727 234 F HA 0.432 4.965 4.527 0.011 0.000 0.302 234 F C 1.124 176.863 175.800 -0.103 0.000 1.107 234 F CA 0.332 58.272 58.000 -0.099 0.000 1.277 234 F CB 0.624 39.560 39.000 -0.106 0.000 1.079 234 F HN 0.076 nan 8.300 nan 0.000 0.594 235 G N 0.757 109.573 108.800 0.027 0.000 2.555 235 G HA2 -0.165 3.801 3.960 0.009 0.000 0.686 235 G HA3 -0.165 3.801 3.960 0.009 0.000 0.686 235 G C 0.117 174.974 174.900 -0.072 0.000 1.275 235 G CA -0.472 44.613 45.100 -0.025 0.000 0.871 235 G HN 0.160 nan 8.290 nan 0.000 0.603 236 E N -0.210 119.942 120.200 -0.082 0.000 2.077 236 E HA -0.163 4.193 4.350 0.009 0.000 0.193 236 E C 2.902 179.446 176.600 -0.094 0.000 0.989 236 E CA 1.857 58.193 56.400 -0.106 0.000 0.800 236 E CB -0.135 29.540 29.700 -0.041 0.000 0.746 236 E HN 0.726 nan 8.360 nan 0.000 0.452 237 S N 0.250 115.914 115.700 -0.060 0.000 2.382 237 S HA -0.153 4.323 4.470 0.009 0.000 0.228 237 S C 2.089 176.641 174.600 -0.080 0.000 1.027 237 S CA 1.629 59.796 58.200 -0.054 0.000 0.991 237 S CB -0.498 62.677 63.200 -0.041 0.000 0.823 237 S HN 0.095 nan 8.310 nan 0.000 0.469 238 T N 2.461 116.957 114.554 -0.096 0.000 2.812 238 T HA 0.190 4.546 4.350 0.009 0.000 0.264 238 T C 2.237 176.827 174.700 -0.183 0.000 1.042 238 T CA 1.238 63.252 62.100 -0.144 0.000 1.140 238 T CB -0.799 67.981 68.868 -0.147 0.000 0.870 238 T HN 0.630 nan 8.240 nan 0.000 0.445 239 A N 1.726 124.409 122.820 -0.228 0.000 1.972 239 A HA -0.085 4.241 4.320 0.009 0.000 0.219 239 A C 2.125 179.602 177.584 -0.178 0.000 1.169 239 A CA 1.321 53.134 52.037 -0.372 0.000 0.635 239 A CB -0.413 18.068 19.000 -0.865 0.000 0.810 239 A HN 0.434 nan 8.150 nan 0.000 0.446 240 K N -0.558 119.808 120.400 -0.057 0.000 2.504 240 K HA 0.009 4.335 4.320 0.009 0.000 0.195 240 K C 1.702 178.295 176.600 -0.012 0.000 1.036 240 K CA 0.374 56.705 56.287 0.072 0.000 0.984 240 K CB -0.054 32.480 32.500 0.057 0.000 0.788 240 K HN 0.406 nan 8.250 nan 0.000 0.488 241 R N 0.426 120.874 120.500 -0.087 0.000 2.280 241 R HA 0.005 4.351 4.340 0.009 0.000 0.207 241 R C 1.687 177.893 176.300 -0.156 0.000 1.043 241 R CA 0.504 56.540 56.100 -0.107 0.000 1.006 241 R CB -0.134 30.083 30.300 -0.139 0.000 0.885 241 R HN 0.170 nan 8.270 nan 0.000 0.467 242 L N 0.186 121.255 121.223 -0.257 0.000 2.362 242 L HA -0.042 4.303 4.340 0.009 0.000 0.219 242 L C 1.131 178.024 176.870 0.038 0.000 1.134 242 L CA 0.435 54.996 54.840 -0.465 0.000 0.807 242 L CB -0.100 41.642 42.059 -0.527 0.000 0.927 242 L HN -0.003 nan 8.230 nan 0.000 0.447 243 S N -0.114 115.615 115.700 0.049 0.000 2.480 243 S HA 0.278 4.754 4.470 0.009 0.000 0.286 243 S C -1.460 173.136 174.600 -0.007 0.000 1.180 243 S CA -1.663 56.578 58.200 0.068 0.000 1.075 243 S CB 1.185 64.429 63.200 0.073 0.000 0.996 243 S HN -0.095 nan 8.310 nan 0.000 0.487 244 P HA -0.072 nan 4.420 nan 0.000 0.222 244 P C 0.318 177.481 177.300 -0.228 0.000 1.147 244 P CA 1.139 64.113 63.100 -0.210 0.000 0.790 244 P CB -0.092 31.395 31.700 -0.353 0.000 0.780 245 H N -0.639 118.415 119.070 -0.027 0.000 2.520 245 H HA 0.270 4.831 4.556 0.009 0.000 0.284 245 H C 0.564 175.771 175.328 -0.202 0.000 1.037 245 H CA -0.193 55.738 56.048 -0.195 0.000 1.168 245 H CB 0.097 29.613 29.762 -0.411 0.000 1.497 245 H HN -0.049 nan 8.280 nan 0.000 0.547 246 R N 0.315 120.795 120.500 -0.033 0.000 3.641 246 R HA -0.195 4.151 4.340 0.009 0.000 0.286 246 R C 0.086 176.345 176.300 -0.069 0.000 1.153 246 R CA 0.517 56.592 56.100 -0.042 0.000 0.775 246 R CB -2.188 28.085 30.300 -0.045 0.000 1.215 246 R HN 0.437 nan 8.270 nan 0.000 0.474 247 K N 0.905 121.260 120.400 -0.075 0.000 2.397 247 K HA 0.419 4.744 4.320 0.009 0.000 0.253 247 K C -0.384 176.210 176.600 -0.010 0.000 0.932 247 K CA -0.129 56.051 56.287 -0.179 0.000 0.795 247 K CB 1.563 33.754 32.500 -0.516 0.000 1.159 247 K HN 0.154 nan 8.250 nan 0.000 0.424 248 T N 0.616 115.170 114.554 0.000 0.000 2.883 248 T HA 0.657 5.013 4.350 0.009 0.000 0.296 248 T C -1.131 173.604 174.700 0.059 0.000 1.117 248 T CA -1.046 61.107 62.100 0.088 0.000 1.006 248 T CB 1.807 70.638 68.868 -0.061 0.000 1.191 248 T HN 0.641 nan 8.240 nan 0.000 0.508 249 R N 0.782 121.328 120.500 0.077 0.000 2.548 249 R HA 0.591 4.937 4.340 0.009 0.000 0.280 249 R C -1.845 174.432 176.300 -0.039 0.000 1.061 249 R CA -0.682 55.450 56.100 0.054 0.000 0.915 249 R CB 1.517 31.930 30.300 0.189 0.000 1.210 249 R HN 0.622 nan 8.270 nan 0.000 0.442 250 V N 5.040 124.922 119.914 -0.054 0.000 2.446 250 V HA 0.176 4.302 4.120 0.009 0.000 0.276 250 V C 0.354 176.424 176.094 -0.039 0.000 1.030 250 V CA 0.143 62.405 62.300 -0.063 0.000 1.033 250 V CB 0.601 32.402 31.823 -0.037 0.000 0.993 250 V HN 0.647 nan 8.190 nan 0.000 0.477 251 K N 4.464 124.833 120.400 -0.052 0.000 2.185 251 K HA 0.542 4.868 4.320 0.009 0.000 0.269 251 K C -0.989 175.580 176.600 -0.052 0.000 0.987 251 K CA -0.614 55.642 56.287 -0.051 0.000 0.865 251 K CB 1.632 34.092 32.500 -0.067 0.000 1.090 251 K HN 0.482 nan 8.250 nan 0.000 0.450 252 V N 6.134 126.019 119.914 -0.049 0.000 2.385 252 V HA 0.222 4.347 4.120 0.009 0.000 0.269 252 V C 0.101 176.156 176.094 -0.064 0.000 1.043 252 V CA -0.749 61.523 62.300 -0.047 0.000 0.906 252 V CB 0.845 32.646 31.823 -0.037 0.000 0.995 252 V HN 0.641 nan 8.190 nan 0.000 0.467 253 I N 4.853 125.383 120.570 -0.067 0.000 2.297 253 I HA 0.379 4.555 4.170 0.009 0.000 0.291 253 I C 0.551 176.622 176.117 -0.078 0.000 1.033 253 I CA -0.190 61.059 61.300 -0.086 0.000 1.253 253 I CB 0.879 38.821 38.000 -0.098 0.000 1.396 253 I HN 0.669 nan 8.210 nan 0.000 0.476 254 E N 5.549 125.697 120.200 -0.086 0.000 2.197 254 E HA 0.283 4.639 4.350 0.009 0.000 0.281 254 E C -0.384 176.160 176.600 -0.093 0.000 0.995 254 E CA -0.493 55.860 56.400 -0.078 0.000 0.808 254 E CB 1.552 31.208 29.700 -0.073 0.000 1.093 254 E HN 0.636 nan 8.360 nan 0.000 0.394 255 N N 1.773 120.418 118.700 -0.091 0.000 2.906 255 N HA 0.196 4.942 4.740 0.009 0.000 0.327 255 N C 0.469 175.873 175.510 -0.176 0.000 1.344 255 N CA -0.728 52.249 53.050 -0.121 0.000 0.823 255 N CB 0.480 38.907 38.487 -0.101 0.000 1.351 255 N HN 0.387 nan 8.380 nan 0.000 0.604 256 M N -1.463 117.951 119.600 -0.310 0.000 2.149 256 M HA -0.008 4.478 4.480 0.009 0.000 0.261 256 M C 0.011 175.932 176.300 -0.633 0.000 1.064 256 M CA 1.728 56.672 55.300 -0.593 0.000 1.102 256 M CB -0.104 31.906 32.600 -0.985 0.000 1.369 256 M HN 0.656 nan 8.290 nan 0.000 0.408 257 Y N -1.140 119.153 120.300 -0.011 0.000 2.641 257 Y HA 0.531 5.085 4.550 0.007 0.000 0.248 257 Y C 0.591 176.483 175.900 -0.013 0.000 1.170 257 Y CA -0.411 57.683 58.100 -0.010 0.000 1.201 257 Y CB 0.553 39.011 38.460 -0.003 0.000 1.232 257 Y HN 0.231 nan 8.280 nan 0.000 0.537 258 G N 0.054 108.890 108.800 0.061 0.000 2.317 258 G HA2 0.414 4.380 3.960 0.009 0.000 0.293 258 G HA3 0.414 4.380 3.960 0.009 0.000 0.293 258 G C -1.503 173.396 174.900 -0.001 0.000 1.287 258 G CA -0.411 44.711 45.100 0.036 0.000 0.850 258 G HN 0.172 nan 8.290 nan 0.000 0.515 259 S N -1.228 114.471 115.700 -0.001 0.000 2.579 259 S HA 0.878 5.354 4.470 0.009 0.000 0.272 259 S C -0.619 173.975 174.600 -0.009 0.000 1.141 259 S CA -0.656 57.534 58.200 -0.017 0.000 0.843 259 S CB 2.405 65.591 63.200 -0.022 0.000 1.122 259 S HN 1.423 nan 8.310 nan 0.000 0.468 260 R N 0.482 120.970 120.500 -0.019 0.000 2.867 260 R HA 0.721 5.066 4.340 0.009 0.000 0.268 260 R C -1.376 174.916 176.300 -0.013 0.000 1.014 260 R CA -0.980 55.116 56.100 -0.006 0.000 0.946 260 R CB 1.434 31.730 30.300 -0.007 0.000 1.208 260 R HN 0.699 nan 8.270 nan 0.000 0.477 261 E N 1.830 122.031 120.200 0.002 0.000 2.171 261 E HA 0.411 4.767 4.350 0.009 0.000 0.271 261 E C -0.433 176.160 176.600 -0.010 0.000 0.916 261 E CA -0.848 55.547 56.400 -0.009 0.000 0.774 261 E CB 2.270 31.971 29.700 0.001 0.000 1.128 261 E HN 0.531 nan 8.360 nan 0.000 0.403 262 I N -1.057 119.492 120.570 -0.036 0.000 2.957 262 I HA 0.543 4.719 4.170 0.009 0.000 0.310 262 I C -0.806 175.264 176.117 -0.079 0.000 1.063 262 I CA -1.220 60.054 61.300 -0.043 0.000 1.033 262 I CB 1.561 39.530 38.000 -0.051 0.000 1.230 262 I HN 0.287 nan 8.210 nan 0.000 0.447 263 I N 2.457 122.965 120.570 -0.103 0.000 2.330 263 I HA 0.268 4.443 4.170 0.009 0.000 0.289 263 I C 0.004 176.040 176.117 -0.133 0.000 1.001 263 I CA -0.202 60.980 61.300 -0.197 0.000 1.193 263 I CB 0.990 38.763 38.000 -0.378 0.000 1.345 263 I HN 0.643 nan 8.210 nan 0.000 0.461 264 T N 7.774 122.262 114.554 -0.111 0.000 2.729 264 T HA 0.431 4.786 4.350 0.009 0.000 0.296 264 T C 0.419 175.105 174.700 -0.023 0.000 0.928 264 T CA -0.297 61.749 62.100 -0.090 0.000 1.045 264 T CB 0.292 69.082 68.868 -0.129 0.000 0.902 264 T HN 0.260 nan 8.240 nan 0.000 0.500 265 L N 4.602 125.820 121.223 -0.008 0.000 2.259 265 L HA 0.423 4.768 4.340 0.009 0.000 0.288 265 L C -0.097 176.834 176.870 0.102 0.000 1.051 265 L CA -0.828 54.063 54.840 0.084 0.000 0.824 265 L CB -0.014 42.108 42.059 0.106 0.000 1.206 265 L HN 0.519 nan 8.230 nan 0.000 0.429 266 F N 2.154 122.114 119.950 0.017 0.000 2.572 266 F HA 0.282 4.814 4.527 0.008 0.000 0.370 266 F C 1.517 177.367 175.800 0.084 0.000 1.103 266 F CA 1.172 59.214 58.000 0.070 0.000 1.286 266 F CB 0.726 39.767 39.000 0.070 0.000 1.105 266 F HN 0.736 nan 8.300 nan 0.000 0.583 267 G N 3.118 112.078 108.800 0.267 0.000 2.157 267 G HA2 -0.264 3.702 3.960 0.009 0.000 0.248 267 G HA3 -0.264 3.702 3.960 0.009 0.000 0.248 267 G C -0.186 174.750 174.900 0.059 0.000 0.979 267 G CA -0.078 45.115 45.100 0.155 0.000 0.650 267 G HN 0.556 nan 8.290 nan 0.000 0.529 268 I N 0.487 121.099 120.570 0.071 0.000 2.689 268 I HA 0.510 4.685 4.170 0.009 0.000 0.299 268 I C -0.262 175.893 176.117 0.064 0.000 1.059 268 I CA -0.908 60.435 61.300 0.072 0.000 1.055 268 I CB 2.387 40.458 38.000 0.119 0.000 1.243 268 I HN -0.007 nan 8.210 nan 0.000 0.425 269 S N 3.989 119.732 115.700 0.072 0.000 2.532 269 S HA 0.350 4.825 4.470 0.009 0.000 0.318 269 S C -0.300 174.360 174.600 0.101 0.000 1.083 269 S CA -0.503 57.739 58.200 0.069 0.000 1.131 269 S CB 0.905 64.139 63.200 0.056 0.000 0.973 269 S HN 0.269 nan 8.310 nan 0.000 0.468 270 V N 5.752 125.733 119.914 0.110 0.000 2.455 270 V HA 0.282 4.408 4.120 0.009 0.000 0.273 270 V C -0.071 176.135 176.094 0.187 0.000 1.045 270 V CA -0.127 62.264 62.300 0.152 0.000 0.976 270 V CB 0.464 32.368 31.823 0.136 0.000 0.993 270 V HN 0.705 nan 8.190 nan 0.000 0.475 271 L N 4.354 125.707 121.223 0.217 0.000 2.408 271 L HA 0.401 4.746 4.340 0.009 0.000 0.257 271 L C 0.019 177.045 176.870 0.261 0.000 1.053 271 L CA -0.509 54.497 54.840 0.277 0.000 0.922 271 L CB 1.102 43.274 42.059 0.188 0.000 1.261 271 L HN 0.518 nan 8.230 nan 0.000 0.458 272 D N 0.759 121.278 120.400 0.198 0.000 2.434 272 D HA -0.122 4.524 4.640 0.009 0.000 0.252 272 D C 0.788 177.158 176.300 0.116 0.000 1.185 272 D CA 0.453 54.525 54.000 0.120 0.000 0.886 272 D CB 0.760 41.543 40.800 -0.030 0.000 1.148 272 D HN 0.321 nan 8.370 nan 0.000 0.483 273 Y N 3.724 124.087 120.300 0.104 0.000 2.274 273 Y HA -0.164 4.391 4.550 0.009 0.000 0.290 273 Y C 2.204 178.067 175.900 -0.061 0.000 1.145 273 Y CA 1.006 59.220 58.100 0.190 0.000 1.203 273 Y CB -0.033 38.668 38.460 0.403 0.000 0.984 273 Y HN 0.592 nan 8.280 nan 0.000 0.533 274 I N -0.419 119.829 120.570 -0.538 0.000 2.264 274 I HA -0.344 3.831 4.170 0.009 0.000 0.248 274 I C 1.598 177.493 176.117 -0.370 0.000 1.111 274 I CA 1.856 62.609 61.300 -0.911 0.000 1.382 274 I CB -0.144 37.113 38.000 -1.237 0.000 1.060 274 I HN 0.205 nan 8.210 nan 0.000 0.418 275 D N 0.356 120.587 120.400 -0.281 0.000 2.162 275 D HA -0.087 4.558 4.640 0.009 0.000 0.203 275 D C 2.328 178.613 176.300 -0.025 0.000 0.967 275 D CA 0.989 54.840 54.000 -0.248 0.000 0.840 275 D CB -0.121 40.399 40.800 -0.466 0.000 0.972 275 D HN 0.364 nan 8.370 nan 0.000 0.482 276 L N -0.040 121.202 121.223 0.032 0.000 2.012 276 L HA -0.218 4.128 4.340 0.009 0.000 0.210 276 L C 2.527 179.204 176.870 -0.321 0.000 1.073 276 L CA 1.165 55.901 54.840 -0.172 0.000 0.748 276 L CB -0.533 41.343 42.059 -0.305 0.000 0.891 276 L HN 0.049 nan 8.230 nan 0.000 0.431 277 Y N 0.977 121.180 120.300 -0.162 0.000 2.145 277 Y HA -0.286 4.270 4.550 0.009 0.000 0.286 277 Y C 2.627 178.473 175.900 -0.089 0.000 1.145 277 Y CA 1.714 59.876 58.100 0.103 0.000 1.148 277 Y CB -0.026 38.724 38.460 0.483 0.000 0.981 277 Y HN -0.002 nan 8.280 nan 0.000 0.507 278 K N -0.017 120.350 120.400 -0.055 0.000 2.097 278 K HA -0.214 4.112 4.320 0.009 0.000 0.206 278 K C 2.195 178.545 176.600 -0.418 0.000 1.049 278 K CA 1.682 57.833 56.287 -0.228 0.000 0.933 278 K CB -0.137 32.155 32.500 -0.347 0.000 0.717 278 K HN 0.231 nan 8.250 nan 0.000 0.442 279 K N -0.056 120.007 120.400 -0.561 0.000 2.116 279 K HA -0.038 4.288 4.320 0.009 0.000 0.203 279 K C 1.349 177.410 176.600 -0.899 0.000 1.052 279 K CA 1.147 56.957 56.287 -0.796 0.000 0.952 279 K CB 0.179 32.048 32.500 -1.052 0.000 0.729 279 K HN 0.081 nan 8.250 nan 0.000 0.446 280 F N -0.380 119.149 119.950 -0.702 0.000 2.720 280 F HA 0.056 4.589 4.527 0.010 0.000 0.301 280 F C 2.171 177.670 175.800 -0.500 0.000 1.103 280 F CA -0.175 57.367 58.000 -0.763 0.000 1.291 280 F CB 0.640 38.865 39.000 -1.291 0.000 1.086 280 F HN 0.069 nan 8.300 nan 0.000 0.592 281 S N -0.188 115.304 115.700 -0.347 0.000 2.470 281 S HA -0.108 4.368 4.470 0.009 0.000 0.225 281 S C 0.682 175.361 174.600 0.132 0.000 1.006 281 S CA -0.026 58.152 58.200 -0.036 0.000 0.934 281 S CB -0.946 61.846 63.200 -0.681 0.000 0.778 281 S HN 0.308 nan 8.310 nan 0.000 0.517 282 F N 2.619 122.526 119.950 -0.072 0.000 2.943 282 F HA -0.189 4.344 4.527 0.011 0.000 0.258 282 F C 0.723 176.520 175.800 -0.005 0.000 0.995 282 F CA 0.830 58.816 58.000 -0.024 0.000 0.896 282 F CB -2.345 36.661 39.000 0.010 0.000 0.821 282 F HN 0.542 nan 8.300 nan 0.000 0.828 283 T N -2.900 111.673 114.554 0.032 0.000 2.916 283 T HA 0.703 5.059 4.350 0.009 0.000 0.292 283 T C -0.715 174.012 174.700 0.045 0.000 1.064 283 T CA -1.028 61.096 62.100 0.040 0.000 1.011 283 T CB 2.548 71.412 68.868 -0.006 0.000 1.152 283 T HN 0.117 nan 8.240 nan 0.000 0.510 284 N N 1.327 120.045 118.700 0.030 0.000 2.504 284 N HA 0.276 5.021 4.740 0.009 0.000 0.280 284 N C -1.205 174.278 175.510 -0.045 0.000 1.052 284 N CA -0.435 52.651 53.050 0.061 0.000 0.887 284 N CB 1.589 40.094 38.487 0.030 0.000 1.323 284 N HN 0.544 nan 8.380 nan 0.000 0.509 285 Q N 2.922 122.630 119.800 -0.153 0.000 2.235 285 Q HA 0.406 4.751 4.340 0.009 0.000 0.256 285 Q C -1.665 174.065 176.000 -0.450 0.000 0.951 285 Q CA -1.647 53.886 55.803 -0.449 0.000 0.890 285 Q CB 1.580 29.795 28.738 -0.873 0.000 1.279 285 Q HN 0.415 nan 8.270 nan 0.000 0.444 286 P HA -0.074 nan 4.420 nan 0.000 0.222 286 P C 0.132 177.022 177.300 -0.682 0.000 1.147 286 P CA 1.023 63.835 63.100 -0.480 0.000 0.790 286 P CB 0.489 31.945 31.700 -0.407 0.000 0.780 287 S N -2.165 112.976 115.700 -0.931 0.000 2.536 287 S HA 0.414 4.890 4.470 0.009 0.000 0.271 287 S C -1.157 173.077 174.600 -0.610 0.000 1.134 287 S CA -0.553 57.206 58.200 -0.734 0.000 0.897 287 S CB 0.459 63.150 63.200 -0.850 0.000 1.094 287 S HN -0.142 nan 8.310 nan 0.000 0.473 288 Y N 2.417 122.665 120.300 -0.087 0.000 2.720 288 Y HA 0.295 4.850 4.550 0.009 0.000 0.277 288 Y C 1.269 177.357 175.900 0.313 0.000 1.144 288 Y CA -0.319 57.865 58.100 0.141 0.000 1.221 288 Y CB 0.341 38.873 38.460 0.119 0.000 1.163 288 Y HN 0.688 nan 8.280 nan 0.000 0.537 289 S N -0.494 115.335 115.700 0.215 0.000 2.572 289 S HA 0.012 4.487 4.470 0.009 0.000 0.279 289 S C 1.209 175.787 174.600 -0.037 0.000 1.341 289 S CA -0.628 57.677 58.200 0.174 0.000 1.043 289 S CB 1.176 64.420 63.200 0.073 0.000 0.887 289 S HN 0.438 nan 8.310 nan 0.000 0.516 290 L N 1.852 122.862 121.223 -0.354 0.000 2.079 290 L HA -0.037 4.309 4.340 0.009 0.000 0.210 290 L C 1.924 178.521 176.870 -0.455 0.000 1.081 290 L CA 2.166 56.475 54.840 -0.885 0.000 0.752 290 L CB -1.276 40.263 42.059 -0.866 0.000 0.896 290 L HN 0.969 nan 8.230 nan 0.000 0.433 291 D N -2.104 118.160 120.400 -0.228 0.000 2.104 291 D HA -0.302 4.344 4.640 0.009 0.000 0.194 291 D C 2.040 178.278 176.300 -0.105 0.000 0.994 291 D CA 1.600 55.514 54.000 -0.144 0.000 0.830 291 D CB -0.200 40.564 40.800 -0.059 0.000 0.959 291 D HN 0.503 nan 8.370 nan 0.000 0.452 292 Y N 0.255 120.462 120.300 -0.154 0.000 2.200 292 Y HA -0.109 4.447 4.550 0.010 0.000 0.290 292 Y C 1.964 177.790 175.900 -0.124 0.000 1.137 292 Y CA 1.110 59.140 58.100 -0.116 0.000 1.163 292 Y CB 0.048 38.434 38.460 -0.122 0.000 0.988 292 Y HN 0.028 nan 8.280 nan 0.000 0.518 293 I N -0.247 120.272 120.570 -0.085 0.000 2.286 293 I HA -0.235 3.940 4.170 0.009 0.000 0.245 293 I C 2.577 178.591 176.117 -0.171 0.000 1.104 293 I CA 1.705 62.899 61.300 -0.176 0.000 1.397 293 I CB -1.693 36.058 38.000 -0.414 0.000 1.072 293 I HN 0.343 nan 8.210 nan 0.000 0.417 294 S N 0.569 116.107 115.700 -0.269 0.000 2.382 294 S HA -0.190 4.286 4.470 0.009 0.000 0.228 294 S C 1.812 176.318 174.600 -0.156 0.000 1.027 294 S CA 1.052 59.118 58.200 -0.224 0.000 0.991 294 S CB -0.571 62.468 63.200 -0.268 0.000 0.823 294 S HN 0.471 nan 8.310 nan 0.000 0.469 295 E N 0.352 120.449 120.200 -0.173 0.000 2.058 295 E HA -0.098 4.258 4.350 0.009 0.000 0.194 295 E C 1.765 178.281 176.600 -0.139 0.000 0.997 295 E CA 1.415 57.710 56.400 -0.175 0.000 0.801 295 E CB -0.298 29.258 29.700 -0.241 0.000 0.746 295 E HN 0.647 nan 8.360 nan 0.000 0.450 296 F N 1.831 121.620 119.950 -0.269 0.000 2.102 296 F HA -0.190 4.343 4.527 0.010 0.000 0.298 296 F C 2.201 177.960 175.800 -0.068 0.000 1.105 296 F CA 1.366 59.262 58.000 -0.174 0.000 1.239 296 F CB 0.220 39.141 39.000 -0.131 0.000 0.991 296 F HN -0.096 nan 8.300 nan 0.000 0.474 297 E N 0.057 120.317 120.200 0.100 0.000 2.170 297 E HA 0.002 4.357 4.350 0.009 0.000 0.191 297 E C 2.022 178.594 176.600 -0.046 0.000 0.981 297 E CA 1.122 57.563 56.400 0.069 0.000 0.830 297 E CB -0.007 29.794 29.700 0.169 0.000 0.775 297 E HN 0.472 nan 8.360 nan 0.000 0.470 298 L N -0.195 120.983 121.223 -0.074 0.000 2.920 298 L HA 0.210 4.555 4.340 0.009 0.000 0.257 298 L C 0.389 177.209 176.870 -0.084 0.000 1.150 298 L CA -0.254 54.544 54.840 -0.070 0.000 0.959 298 L CB 0.171 42.171 42.059 -0.099 0.000 1.321 298 L HN -0.028 nan 8.230 nan 0.000 0.555 299 N N 1.326 119.958 118.700 -0.113 0.000 2.721 299 N HA -0.158 4.587 4.740 0.009 0.000 0.249 299 N C -0.335 175.114 175.510 -0.102 0.000 1.072 299 N CA 0.852 53.834 53.050 -0.114 0.000 0.710 299 N CB -1.117 37.309 38.487 -0.102 0.000 0.993 299 N HN 0.277 nan 8.380 nan 0.000 0.547 300 V N -2.176 117.672 119.914 -0.110 0.000 2.644 300 V HA 0.883 5.009 4.120 0.009 0.000 0.295 300 V C 1.512 177.542 176.094 -0.106 0.000 1.053 300 V CA -0.338 61.900 62.300 -0.104 0.000 0.987 300 V CB 1.480 33.234 31.823 -0.115 0.000 1.006 300 V HN 0.261 nan 8.190 nan 0.000 0.472 301 G N 2.145 110.891 108.800 -0.089 0.000 2.544 301 G HA2 0.245 4.211 3.960 0.009 0.000 0.242 301 G HA3 0.245 4.211 3.960 0.009 0.000 0.242 301 G C 0.003 174.843 174.900 -0.100 0.000 1.247 301 G CA -0.575 44.475 45.100 -0.082 0.000 0.840 301 G HN 1.032 nan 8.290 nan 0.000 0.578 302 K N 1.517 121.864 120.400 -0.088 0.000 2.484 302 K HA 0.015 4.340 4.320 0.009 0.000 0.280 302 K C 0.052 176.587 176.600 -0.109 0.000 1.013 302 K CA -0.077 56.154 56.287 -0.093 0.000 1.029 302 K CB 0.164 32.628 32.500 -0.059 0.000 0.902 302 K HN 0.319 nan 8.250 nan 0.000 0.481 303 L N 5.477 126.593 121.223 -0.179 0.000 2.433 303 L HA 0.132 4.477 4.340 0.009 0.000 0.284 303 L C 0.932 177.786 176.870 -0.025 0.000 1.120 303 L CA 0.098 54.754 54.840 -0.306 0.000 0.879 303 L CB 0.177 41.776 42.059 -0.767 0.000 1.232 303 L HN 0.466 nan 8.230 nan 0.000 0.454 304 K N 4.383 124.853 120.400 0.117 0.000 2.172 304 K HA 0.386 4.712 4.320 0.009 0.000 0.276 304 K C -1.211 175.596 176.600 0.345 0.000 1.013 304 K CA -0.444 55.912 56.287 0.116 0.000 0.913 304 K CB 1.139 33.675 32.500 0.061 0.000 1.055 304 K HN 0.410 nan 8.250 nan 0.000 0.461 305 Y N -0.409 120.018 120.300 0.212 0.000 2.588 305 Y HA 0.396 4.951 4.550 0.009 0.000 0.343 305 Y C -0.954 175.007 175.900 0.101 0.000 1.065 305 Y CA -1.454 56.738 58.100 0.153 0.000 1.038 305 Y CB 0.874 39.431 38.460 0.163 0.000 1.297 305 Y HN 0.366 nan 8.280 nan 0.000 0.467 306 D N 1.306 121.862 120.400 0.260 0.000 2.255 306 D HA 0.467 5.113 4.640 0.009 0.000 0.249 306 D C 0.612 177.054 176.300 0.236 0.000 1.078 306 D CA 1.454 55.553 54.000 0.166 0.000 0.896 306 D CB 1.466 42.332 40.800 0.111 0.000 1.194 306 D HN 1.158 nan 8.370 nan 0.000 0.429 307 G N 2.378 111.274 108.800 0.160 0.000 2.855 307 G HA2 -0.157 3.808 3.960 0.009 0.000 0.352 307 G HA3 -0.157 3.808 3.960 0.009 0.000 0.352 307 G C -2.563 172.486 174.900 0.249 0.000 1.415 307 G CA -1.003 44.193 45.100 0.159 0.000 0.871 307 G HN 0.456 nan 8.290 nan 0.000 0.543 308 P HA 0.267 nan 4.420 nan 0.000 0.274 308 P C 1.258 178.695 177.300 0.228 0.000 1.237 308 P CA -0.660 62.569 63.100 0.216 0.000 0.793 308 P CB 0.774 32.545 31.700 0.118 0.000 0.977 309 I N 1.699 122.413 120.570 0.240 0.000 2.567 309 I HA -0.206 3.970 4.170 0.009 0.000 0.257 309 I C 1.790 177.927 176.117 0.033 0.000 1.184 309 I CA 1.895 63.237 61.300 0.069 0.000 1.451 309 I CB -0.655 37.405 38.000 0.099 0.000 1.089 309 I HN 0.372 nan 8.210 nan 0.000 0.441 310 S N -0.283 115.429 115.700 0.021 0.000 2.481 310 S HA -0.095 4.381 4.470 0.009 0.000 0.231 310 S C 1.670 176.224 174.600 -0.076 0.000 0.996 310 S CA 0.522 58.690 58.200 -0.054 0.000 0.942 310 S CB -0.145 63.013 63.200 -0.070 0.000 0.768 310 S HN 0.456 nan 8.310 nan 0.000 0.520 311 K N -0.291 120.090 120.400 -0.031 0.000 2.402 311 K HA 0.381 4.707 4.320 0.009 0.000 0.204 311 K C 1.187 177.757 176.600 -0.049 0.000 1.056 311 K CA -0.164 56.101 56.287 -0.038 0.000 1.069 311 K CB 0.183 32.683 32.500 0.001 0.000 0.888 311 K HN 0.134 nan 8.250 nan 0.000 0.546 312 L N 1.889 123.079 121.223 -0.056 0.000 2.046 312 L HA -0.096 4.250 4.340 0.009 0.000 0.208 312 L C 2.269 179.043 176.870 -0.159 0.000 1.077 312 L CA 1.777 56.581 54.840 -0.060 0.000 0.747 312 L CB -0.296 41.717 42.059 -0.077 0.000 0.896 312 L HN 0.088 nan 8.230 nan 0.000 0.432 313 R N -0.790 119.416 120.500 -0.491 0.000 2.073 313 R HA -0.191 4.155 4.340 0.009 0.000 0.234 313 R C 2.314 178.482 176.300 -0.219 0.000 1.134 313 R CA 1.613 57.286 56.100 -0.711 0.000 0.952 313 R CB -0.341 29.309 30.300 -1.083 0.000 0.850 313 R HN 0.442 nan 8.270 nan 0.000 0.433 314 E N 0.359 120.467 120.200 -0.152 0.000 2.047 314 E HA -0.149 4.207 4.350 0.009 0.000 0.191 314 E C 1.852 178.438 176.600 -0.023 0.000 0.987 314 E CA 1.850 58.214 56.400 -0.060 0.000 0.799 314 E CB -0.035 29.644 29.700 -0.036 0.000 0.752 314 E HN 0.466 nan 8.360 nan 0.000 0.449 315 S N -0.024 115.664 115.700 -0.020 0.000 2.377 315 S HA -0.048 4.427 4.470 0.009 0.000 0.223 315 S C 1.235 175.847 174.600 0.020 0.000 1.030 315 S CA 0.670 58.874 58.200 0.007 0.000 0.970 315 S CB 0.085 63.297 63.200 0.019 0.000 0.830 315 S HN 0.052 nan 8.310 nan 0.000 0.473 316 N N 0.436 119.147 118.700 0.019 0.000 2.726 316 N HA 0.159 4.904 4.740 0.009 0.000 0.253 316 N C 0.177 175.726 175.510 0.066 0.000 1.530 316 N CA -0.293 52.778 53.050 0.035 0.000 0.772 316 N CB 0.165 38.659 38.487 0.012 0.000 1.220 316 N HN 0.492 nan 8.380 nan 0.000 0.508 317 H N 0.749 119.825 119.070 0.011 0.000 2.387 317 H HA -0.160 4.401 4.556 0.009 0.000 0.299 317 H C 1.293 176.729 175.328 0.180 0.000 1.099 317 H CA 1.975 58.066 56.048 0.071 0.000 1.315 317 H CB 0.658 30.453 29.762 0.055 0.000 1.380 317 H HN 0.454 nan 8.280 nan 0.000 0.513 318 Q N 1.383 121.225 119.800 0.070 0.000 2.045 318 Q HA -0.208 4.138 4.340 0.009 0.000 0.206 318 Q C 2.643 178.672 176.000 0.049 0.000 0.991 318 Q CA 2.397 58.245 55.803 0.075 0.000 0.851 318 Q CB -0.392 28.363 28.738 0.028 0.000 0.911 318 Q HN 0.423 nan 8.270 nan 0.000 0.418 319 R N -1.467 118.994 120.500 -0.066 0.000 2.092 319 R HA -0.164 4.182 4.340 0.009 0.000 0.231 319 R C 2.197 178.311 176.300 -0.310 0.000 1.119 319 R CA 1.298 57.228 56.100 -0.283 0.000 0.970 319 R CB -0.596 29.478 30.300 -0.377 0.000 0.864 319 R HN 0.451 nan 8.270 nan 0.000 0.440 320 Y N 0.748 120.885 120.300 -0.272 0.000 2.114 320 Y HA -0.275 4.280 4.550 0.008 0.000 0.282 320 Y C 1.817 177.620 175.900 -0.161 0.000 1.165 320 Y CA 1.822 59.798 58.100 -0.206 0.000 1.148 320 Y CB -0.067 38.312 38.460 -0.135 0.000 0.972 320 Y HN 0.043 nan 8.280 nan 0.000 0.504 321 I N -0.980 119.513 120.570 -0.128 0.000 2.202 321 I HA -0.253 3.922 4.170 0.009 0.000 0.242 321 I C 2.484 178.432 176.117 -0.282 0.000 1.091 321 I CA 1.487 62.615 61.300 -0.287 0.000 1.368 321 I CB -1.618 36.082 38.000 -0.499 0.000 1.058 321 I HN 0.158 nan 8.210 nan 0.000 0.410 322 S N -0.032 115.619 115.700 -0.082 0.000 2.374 322 S HA -0.202 4.274 4.470 0.009 0.000 0.227 322 S C 2.053 176.765 174.600 0.188 0.000 1.037 322 S CA 1.358 59.624 58.200 0.110 0.000 1.024 322 S CB -0.426 62.927 63.200 0.254 0.000 0.861 322 S HN 0.437 nan 8.310 nan 0.000 0.456 323 Y N 1.451 121.709 120.300 -0.070 0.000 2.314 323 Y HA -0.050 4.505 4.550 0.009 0.000 0.293 323 Y C 2.741 178.572 175.900 -0.115 0.000 1.129 323 Y CA 0.421 58.477 58.100 -0.073 0.000 1.201 323 Y CB -0.182 38.239 38.460 -0.065 0.000 0.999 323 Y HN 0.383 nan 8.280 nan 0.000 0.541 324 N N 1.182 119.867 118.700 -0.025 0.000 2.142 324 N HA -0.183 4.563 4.740 0.009 0.000 0.186 324 N C 1.672 177.180 175.510 -0.004 0.000 1.023 324 N CA 1.183 54.192 53.050 -0.069 0.000 0.852 324 N CB -0.133 38.263 38.487 -0.152 0.000 0.998 324 N HN 0.306 nan 8.380 nan 0.000 0.424 325 I N 1.066 121.611 120.570 -0.042 0.000 2.179 325 I HA -0.243 3.932 4.170 0.009 0.000 0.242 325 I C 2.237 178.353 176.117 -0.001 0.000 1.088 325 I CA 0.897 62.174 61.300 -0.038 0.000 1.357 325 I CB -0.199 37.689 38.000 -0.187 0.000 1.051 325 I HN 0.132 nan 8.210 nan 0.000 0.409 326 I N 0.827 121.402 120.570 0.010 0.000 2.226 326 I HA -0.302 3.873 4.170 0.009 0.000 0.245 326 I C 2.806 178.943 176.117 0.032 0.000 1.100 326 I CA 1.301 62.622 61.300 0.035 0.000 1.374 326 I CB -0.506 37.501 38.000 0.012 0.000 1.057 326 I HN 0.199 nan 8.210 nan 0.000 0.413 327 A N 0.470 123.292 122.820 0.003 0.000 1.908 327 A HA -0.178 4.148 4.320 0.009 0.000 0.218 327 A C 2.421 180.030 177.584 0.042 0.000 1.181 327 A CA 2.028 54.053 52.037 -0.019 0.000 0.627 327 A CB -0.981 18.008 19.000 -0.017 0.000 0.818 327 A HN 0.265 nan 8.150 nan 0.000 0.445 328 V N -1.618 118.380 119.914 0.139 0.000 2.358 328 V HA -0.236 3.890 4.120 0.009 0.000 0.246 328 V C 2.359 178.618 176.094 0.274 0.000 1.047 328 V CA 1.947 64.389 62.300 0.238 0.000 1.035 328 V CB -1.020 31.034 31.823 0.384 0.000 0.658 328 V HN 0.692 nan 8.190 nan 0.000 0.452 329 Y N 1.489 121.878 120.300 0.149 0.000 2.224 329 Y HA -0.155 4.400 4.550 0.009 0.000 0.289 329 Y C 2.665 178.552 175.900 -0.022 0.000 1.146 329 Y CA 1.325 59.484 58.100 0.099 0.000 1.182 329 Y CB -0.300 38.140 38.460 -0.034 0.000 0.983 329 Y HN 0.072 nan 8.280 nan 0.000 0.524 330 R N -0.113 120.295 120.500 -0.155 0.000 2.096 330 R HA -0.153 4.192 4.340 0.009 0.000 0.240 330 R C 2.389 178.512 176.300 -0.295 0.000 1.139 330 R CA 1.586 57.514 56.100 -0.287 0.000 0.952 330 R CB -1.485 28.669 30.300 -0.243 0.000 0.854 330 R HN 0.344 nan 8.270 nan 0.000 0.436 331 V N 1.710 121.498 119.914 -0.210 0.000 2.343 331 V HA -0.215 3.910 4.120 0.009 0.000 0.247 331 V C 2.513 178.420 176.094 -0.313 0.000 1.051 331 V CA 1.562 63.716 62.300 -0.243 0.000 1.036 331 V CB -0.532 31.252 31.823 -0.064 0.000 0.654 331 V HN 0.192 nan 8.190 nan 0.000 0.451 332 L N -0.648 120.448 121.223 -0.213 0.000 2.083 332 L HA -0.230 4.115 4.340 0.009 0.000 0.209 332 L C 2.672 179.399 176.870 -0.239 0.000 1.083 332 L CA 1.607 56.328 54.840 -0.200 0.000 0.752 332 L CB -0.622 41.339 42.059 -0.163 0.000 0.899 332 L HN 0.363 nan 8.230 nan 0.000 0.433 333 Q N -0.038 119.541 119.800 -0.367 0.000 2.079 333 Q HA -0.168 4.177 4.340 0.009 0.000 0.200 333 Q C 2.365 178.233 176.000 -0.219 0.000 0.974 333 Q CA 1.394 56.990 55.803 -0.344 0.000 0.840 333 Q CB -0.102 28.339 28.738 -0.495 0.000 0.898 333 Q HN 0.516 nan 8.270 nan 0.000 0.430 334 I N 0.773 121.202 120.570 -0.235 0.000 2.226 334 I HA -0.278 3.898 4.170 0.009 0.000 0.245 334 I C 1.957 177.991 176.117 -0.138 0.000 1.100 334 I CA 1.353 62.562 61.300 -0.152 0.000 1.374 334 I CB -0.177 37.740 38.000 -0.138 0.000 1.057 334 I HN 0.182 nan 8.210 nan 0.000 0.413 335 D N 0.677 120.944 120.400 -0.222 0.000 2.178 335 D HA -0.133 4.512 4.640 0.009 0.000 0.202 335 D C 2.191 178.457 176.300 -0.057 0.000 0.974 335 D CA 1.236 55.193 54.000 -0.071 0.000 0.841 335 D CB 0.074 40.860 40.800 -0.023 0.000 0.953 335 D HN 0.295 nan 8.370 nan 0.000 0.478 336 A N 0.466 123.241 122.820 -0.075 0.000 1.940 336 A HA -0.236 4.090 4.320 0.009 0.000 0.219 336 A C 2.108 179.650 177.584 -0.070 0.000 1.176 336 A CA 1.765 53.772 52.037 -0.049 0.000 0.631 336 A CB -0.557 18.423 19.000 -0.033 0.000 0.814 336 A HN 0.236 nan 8.150 nan 0.000 0.446 337 K N -1.290 119.055 120.400 -0.091 0.000 1.995 337 K HA -0.074 4.252 4.320 0.009 0.000 0.207 337 K C 2.236 178.742 176.600 -0.158 0.000 1.041 337 K CA 0.812 57.032 56.287 -0.112 0.000 0.942 337 K CB -0.148 32.302 32.500 -0.085 0.000 0.731 337 K HN 0.215 nan 8.250 nan 0.000 0.439 338 R N 0.597 120.957 120.500 -0.233 0.000 2.119 338 R HA 0.019 4.364 4.340 0.009 0.000 0.222 338 R C 0.416 176.409 176.300 -0.511 0.000 1.088 338 R CA 0.732 56.529 56.100 -0.506 0.000 0.984 338 R CB -0.306 29.385 30.300 -1.016 0.000 0.884 338 R HN 0.428 nan 8.270 nan 0.000 0.447 339 Q N -0.640 118.995 119.800 -0.274 0.000 2.487 339 Q HA -0.171 4.175 4.340 0.009 0.000 0.279 339 Q C 0.036 176.044 176.000 0.013 0.000 1.228 339 Q CA 0.327 56.073 55.803 -0.094 0.000 0.873 339 Q CB -1.625 27.063 28.738 -0.084 0.000 1.260 339 Q HN 0.179 nan 8.270 nan 0.000 0.471 340 F N -0.621 119.398 119.950 0.114 0.000 2.325 340 F HA -0.074 4.459 4.527 0.009 0.000 0.299 340 F C 2.117 177.883 175.800 -0.055 0.000 1.090 340 F CA 0.377 58.359 58.000 -0.030 0.000 1.392 340 F CB -0.162 38.820 39.000 -0.030 0.000 1.053 340 F HN 0.259 nan 8.300 nan 0.000 0.521 341 I N 0.045 120.764 120.570 0.248 0.000 2.202 341 I HA -0.254 3.922 4.170 0.009 0.000 0.242 341 I C 2.024 178.183 176.117 0.070 0.000 1.091 341 I CA 1.049 62.447 61.300 0.163 0.000 1.368 341 I CB -1.348 36.788 38.000 0.226 0.000 1.058 341 I HN 0.098 nan 8.210 nan 0.000 0.410 342 N N 1.304 120.041 118.700 0.061 0.000 2.036 342 N HA -0.217 4.528 4.740 0.009 0.000 0.195 342 N C 1.861 177.369 175.510 -0.005 0.000 1.037 342 N CA 1.192 54.264 53.050 0.036 0.000 0.855 342 N CB -0.768 37.716 38.487 -0.004 0.000 1.033 342 N HN 0.241 nan 8.380 nan 0.000 0.423 343 L N 0.896 122.075 121.223 -0.073 0.000 2.013 343 L HA -0.148 4.198 4.340 0.009 0.000 0.212 343 L C 2.015 178.745 176.870 -0.234 0.000 1.073 343 L CA 1.732 56.452 54.840 -0.200 0.000 0.753 343 L CB -0.918 40.936 42.059 -0.342 0.000 0.890 343 L HN 0.054 nan 8.230 nan 0.000 0.432 344 S N -0.384 115.185 115.700 -0.217 0.000 2.368 344 S HA -0.157 4.319 4.470 0.009 0.000 0.225 344 S C 1.924 176.409 174.600 -0.190 0.000 1.030 344 S CA 1.726 59.805 58.200 -0.202 0.000 0.999 344 S CB -0.531 62.580 63.200 -0.148 0.000 0.844 344 S HN 0.463 nan 8.310 nan 0.000 0.459 345 L N 1.318 122.443 121.223 -0.164 0.000 1.994 345 L HA -0.163 4.182 4.340 0.009 0.000 0.208 345 L C 2.318 179.052 176.870 -0.226 0.000 1.071 345 L CA 1.260 55.931 54.840 -0.283 0.000 0.745 345 L CB -0.803 41.089 42.059 -0.277 0.000 0.892 345 L HN 0.176 nan 8.230 nan 0.000 0.431 346 D N -0.024 120.372 120.400 -0.007 0.000 2.126 346 D HA -0.234 4.411 4.640 0.009 0.000 0.190 346 D C 2.319 178.656 176.300 0.061 0.000 1.001 346 D CA 1.666 55.748 54.000 0.137 0.000 0.841 346 D CB -0.153 40.689 40.800 0.069 0.000 0.949 346 D HN 0.265 nan 8.370 nan 0.000 0.446 347 M N -0.263 119.303 119.600 -0.057 0.000 2.156 347 M HA -0.010 4.476 4.480 0.009 0.000 0.264 347 M C 2.362 178.648 176.300 -0.024 0.000 1.067 347 M CA 1.481 56.744 55.300 -0.061 0.000 1.131 347 M CB -0.447 32.066 32.600 -0.145 0.000 1.368 347 M HN 0.029 nan 8.290 nan 0.000 0.416 348 G N -0.503 108.224 108.800 -0.122 0.000 2.421 348 G HA2 -0.223 3.743 3.960 0.009 0.000 0.216 348 G HA3 -0.223 3.743 3.960 0.009 0.000 0.216 348 G C 1.126 175.950 174.900 -0.127 0.000 1.171 348 G CA 0.768 45.765 45.100 -0.173 0.000 0.775 348 G HN 0.333 nan 8.290 nan 0.000 0.543 349 Y N -0.919 119.349 120.300 -0.055 0.000 2.314 349 Y HA 0.006 4.562 4.550 0.010 0.000 0.293 349 Y C 2.422 178.368 175.900 0.077 0.000 1.129 349 Y CA 0.493 58.572 58.100 -0.035 0.000 1.201 349 Y CB -0.678 37.668 38.460 -0.190 0.000 0.999 349 Y HN 0.301 nan 8.280 nan 0.000 0.541 350 Y N 0.206 120.576 120.300 0.116 0.000 2.128 350 Y HA -0.262 4.294 4.550 0.009 0.000 0.284 350 Y C 2.417 178.340 175.900 0.038 0.000 1.154 350 Y CA 1.692 59.832 58.100 0.067 0.000 1.149 350 Y CB -0.502 37.967 38.460 0.015 0.000 0.976 350 Y HN 0.024 nan 8.280 nan 0.000 0.505 351 A N -0.306 122.556 122.820 0.069 0.000 2.067 351 A HA 0.032 4.358 4.320 0.009 0.000 0.217 351 A C 0.888 178.482 177.584 0.016 0.000 1.156 351 A CA 0.773 52.801 52.037 -0.014 0.000 0.683 351 A CB -0.405 18.596 19.000 0.002 0.000 0.808 351 A HN 0.460 nan 8.150 nan 0.000 0.455 352 K N -0.617 119.830 120.400 0.079 0.000 3.353 352 K HA -0.148 4.178 4.320 0.009 0.000 0.272 352 K C -0.391 176.227 176.600 0.029 0.000 1.071 352 K CA 0.905 57.263 56.287 0.118 0.000 0.789 352 K CB -2.133 30.411 32.500 0.073 0.000 1.325 352 K HN 0.816 nan 8.250 nan 0.000 0.464 353 I N -3.378 117.217 120.570 0.042 0.000 2.957 353 I HA 0.323 4.499 4.170 0.009 0.000 0.310 353 I C 0.167 176.278 176.117 -0.010 0.000 1.063 353 I CA -1.470 59.823 61.300 -0.011 0.000 1.033 353 I CB 1.453 39.455 38.000 0.003 0.000 1.230 353 I HN 0.000 nan 8.210 nan 0.000 0.447 354 Q N 2.082 121.866 119.800 -0.027 0.000 2.283 354 Q HA 0.091 4.437 4.340 0.009 0.000 0.301 354 Q C 0.919 176.911 176.000 -0.013 0.000 1.063 354 Q CA -0.217 55.592 55.803 0.010 0.000 0.952 354 Q CB 1.124 29.857 28.738 -0.007 0.000 1.166 354 Q HN 0.539 nan 8.270 nan 0.000 0.381 355 I N 2.522 123.070 120.570 -0.036 0.000 2.248 355 I HA -0.324 3.851 4.170 0.009 0.000 0.248 355 I C 2.465 178.538 176.117 -0.074 0.000 1.107 355 I CA 1.602 62.831 61.300 -0.118 0.000 1.373 355 I CB -1.270 36.632 38.000 -0.164 0.000 1.055 355 I HN 0.774 nan 8.210 nan 0.000 0.418 356 Q N 0.461 120.258 119.800 -0.004 0.000 2.364 356 Q HA -0.107 4.239 4.340 0.009 0.000 0.209 356 Q C 1.725 177.785 176.000 0.100 0.000 0.977 356 Q CA 1.316 57.165 55.803 0.077 0.000 0.885 356 Q CB -0.792 28.016 28.738 0.117 0.000 0.941 356 Q HN 0.346 nan 8.270 nan 0.000 0.464 357 S N 1.407 117.122 115.700 0.025 0.000 2.555 357 S HA -0.030 4.445 4.470 0.009 0.000 0.230 357 S C 1.924 176.526 174.600 0.002 0.000 0.978 357 S CA 0.755 58.973 58.200 0.029 0.000 0.934 357 S CB -0.265 62.940 63.200 0.008 0.000 0.766 357 S HN 0.511 nan 8.310 nan 0.000 0.533 358 V N -1.403 118.464 119.914 -0.078 0.000 2.720 358 V HA -0.101 4.025 4.120 0.009 0.000 0.256 358 V C 1.615 177.640 176.094 -0.115 0.000 1.082 358 V CA 1.462 63.694 62.300 -0.114 0.000 1.101 358 V CB -1.288 30.439 31.823 -0.161 0.000 0.693 358 V HN 0.372 nan 8.190 nan 0.000 0.479 359 F N 1.551 121.475 119.950 -0.044 0.000 2.494 359 F HA 0.147 4.681 4.527 0.012 0.000 0.298 359 F C 1.747 177.487 175.800 -0.101 0.000 1.106 359 F CA 1.300 59.222 58.000 -0.131 0.000 1.452 359 F CB -0.305 38.602 39.000 -0.156 0.000 1.085 359 F HN 0.301 nan 8.300 nan 0.000 0.569 360 S N 1.235 116.997 115.700 0.102 0.000 2.667 360 S HA 0.287 4.762 4.470 0.009 0.000 0.304 360 S C -1.586 173.060 174.600 0.076 0.000 1.135 360 S CA -1.673 56.571 58.200 0.073 0.000 1.125 360 S CB 0.880 64.116 63.200 0.060 0.000 0.996 360 S HN -0.185 nan 8.310 nan 0.000 0.474 361 P HA -0.062 nan 4.420 nan 0.000 0.220 361 P C 1.438 178.875 177.300 0.228 0.000 1.148 361 P CA 0.842 64.026 63.100 0.142 0.000 0.803 361 P CB 0.111 31.927 31.700 0.193 0.000 0.782 362 I N -0.009 120.670 120.570 0.183 0.000 2.179 362 I HA -0.243 3.933 4.170 0.009 0.000 0.242 362 I C 2.623 178.946 176.117 0.343 0.000 1.088 362 I CA 1.531 62.987 61.300 0.260 0.000 1.357 362 I CB -0.469 37.686 38.000 0.259 0.000 1.051 362 I HN -0.092 nan 8.210 nan 0.000 0.409 363 K N 0.885 121.411 120.400 0.210 0.000 2.057 363 K HA -0.142 4.183 4.320 0.009 0.000 0.207 363 K C 1.961 178.656 176.600 0.159 0.000 1.049 363 K CA 1.967 58.353 56.287 0.164 0.000 0.931 363 K CB -0.595 31.955 32.500 0.083 0.000 0.714 363 K HN 0.194 nan 8.250 nan 0.000 0.440 364 T N -0.504 114.111 114.554 0.101 0.000 2.708 364 T HA -0.141 4.214 4.350 0.009 0.000 0.266 364 T C 1.493 176.204 174.700 0.017 0.000 1.037 364 T CA 1.794 63.886 62.100 -0.013 0.000 1.146 364 T CB -0.447 68.325 68.868 -0.161 0.000 0.865 364 T HN 0.412 nan 8.240 nan 0.000 0.435 365 W N 1.203 122.637 121.300 0.222 0.000 2.436 365 W HA -0.007 4.659 4.660 0.009 0.000 0.284 365 W C 2.288 179.046 176.519 0.397 0.000 1.225 365 W CA 0.328 57.850 57.345 0.295 0.000 1.271 365 W CB -0.230 29.397 29.460 0.279 0.000 1.114 365 W HN 0.266 nan 8.180 nan 0.000 0.559 366 D N 0.029 120.812 120.400 0.640 0.000 2.123 366 D HA -0.186 4.459 4.640 0.009 0.000 0.196 366 D C 2.165 178.713 176.300 0.413 0.000 0.992 366 D CA 1.951 56.256 54.000 0.509 0.000 0.833 366 D CB -0.274 40.732 40.800 0.345 0.000 0.954 366 D HN 0.024 nan 8.370 nan 0.000 0.455 367 A N -0.197 122.819 122.820 0.326 0.000 1.930 367 A HA 0.004 4.330 4.320 0.009 0.000 0.215 367 A C 2.406 180.146 177.584 0.261 0.000 1.176 367 A CA 0.657 52.882 52.037 0.314 0.000 0.632 367 A CB -0.587 18.533 19.000 0.200 0.000 0.819 367 A HN 0.313 nan 8.150 nan 0.000 0.445 368 I N -0.207 120.489 120.570 0.209 0.000 2.163 368 I HA -0.280 3.895 4.170 0.009 0.000 0.243 368 I C 2.280 178.520 176.117 0.206 0.000 1.085 368 I CA 1.482 62.871 61.300 0.149 0.000 1.347 368 I CB -0.292 37.804 38.000 0.160 0.000 1.044 368 I HN 0.303 nan 8.210 nan 0.000 0.408 369 I N -0.041 120.725 120.570 0.326 0.000 2.252 369 I HA -0.301 3.875 4.170 0.009 0.000 0.245 369 I C 2.511 178.761 176.117 0.222 0.000 1.102 369 I CA 1.407 62.853 61.300 0.244 0.000 1.385 369 I CB -0.391 37.741 38.000 0.219 0.000 1.064 369 I HN 0.180 nan 8.210 nan 0.000 0.414 370 F N 2.102 122.155 119.950 0.170 0.000 2.095 370 F HA -0.295 4.238 4.527 0.010 0.000 0.298 370 F C 2.409 178.264 175.800 0.091 0.000 1.104 370 F CA 1.785 59.865 58.000 0.134 0.000 1.232 370 F CB -0.349 38.733 39.000 0.138 0.000 0.987 370 F HN 0.062 nan 8.300 nan 0.000 0.475 371 N N 0.057 118.550 118.700 -0.346 0.000 2.166 371 N HA -0.205 4.541 4.740 0.009 0.000 0.186 371 N C 2.099 177.466 175.510 -0.239 0.000 1.019 371 N CA 1.435 54.220 53.050 -0.442 0.000 0.856 371 N CB -0.402 37.947 38.487 -0.230 0.000 0.993 371 N HN 0.371 nan 8.380 nan 0.000 0.426 372 S N 0.820 116.458 115.700 -0.103 0.000 2.368 372 S HA 0.049 4.525 4.470 0.009 0.000 0.224 372 S C 2.086 176.658 174.600 -0.047 0.000 1.029 372 S CA 0.573 58.744 58.200 -0.047 0.000 0.988 372 S CB -0.069 63.139 63.200 0.013 0.000 0.838 372 S HN 0.195 nan 8.310 nan 0.000 0.462 373 L N 1.035 122.237 121.223 -0.036 0.000 2.109 373 L HA 0.010 4.356 4.340 0.009 0.000 0.207 373 L C 2.618 179.473 176.870 -0.025 0.000 1.086 373 L CA 1.293 56.126 54.840 -0.011 0.000 0.760 373 L CB -0.449 41.632 42.059 0.037 0.000 0.910 373 L HN 0.305 nan 8.230 nan 0.000 0.437 374 K N 0.239 120.576 120.400 -0.104 0.000 2.063 374 K HA -0.222 4.104 4.320 0.009 0.000 0.208 374 K C 2.012 178.589 176.600 -0.038 0.000 1.048 374 K CA 1.329 57.556 56.287 -0.101 0.000 0.928 374 K CB 0.070 32.374 32.500 -0.327 0.000 0.713 374 K HN 0.154 nan 8.250 nan 0.000 0.442 375 E N 0.503 120.666 120.200 -0.062 0.000 2.171 375 E HA -0.201 4.154 4.350 0.009 0.000 0.197 375 E C 1.482 178.085 176.600 0.005 0.000 0.997 375 E CA 1.141 57.527 56.400 -0.023 0.000 0.810 375 E CB 0.040 29.723 29.700 -0.028 0.000 0.738 375 E HN 0.484 nan 8.360 nan 0.000 0.467 376 Q N 0.054 119.860 119.800 0.010 0.000 2.220 376 Q HA 0.092 4.438 4.340 0.009 0.000 0.205 376 Q C -0.110 175.922 176.000 0.054 0.000 0.865 376 Q CA -0.225 55.592 55.803 0.023 0.000 0.960 376 Q CB 0.285 29.031 28.738 0.013 0.000 1.097 376 Q HN 0.143 nan 8.270 nan 0.000 0.493 377 N N 1.183 119.929 118.700 0.076 0.000 2.714 377 N HA -0.167 4.579 4.740 0.009 0.000 0.250 377 N C -0.700 174.911 175.510 0.168 0.000 1.117 377 N CA 0.976 54.116 53.050 0.149 0.000 0.719 377 N CB -1.024 37.503 38.487 0.067 0.000 1.081 377 N HN 0.384 nan 8.380 nan 0.000 0.557 378 K N -0.014 120.443 120.400 0.095 0.000 2.087 378 K HA 0.598 4.923 4.320 0.009 0.000 0.255 378 K C 0.150 176.739 176.600 -0.018 0.000 0.988 378 K CA -0.533 55.795 56.287 0.069 0.000 0.915 378 K CB 1.592 34.123 32.500 0.050 0.000 1.043 378 K HN -0.153 nan 8.250 nan 0.000 0.457 379 V N 3.935 123.805 119.914 -0.073 0.000 2.444 379 V HA 0.276 4.402 4.120 0.009 0.000 0.294 379 V C 0.089 176.162 176.094 -0.035 0.000 1.022 379 V CA -0.994 61.173 62.300 -0.222 0.000 0.850 379 V CB 1.086 32.605 31.823 -0.506 0.000 0.992 379 V HN 0.669 nan 8.190 nan 0.000 0.426 380 I N 4.351 124.954 120.570 0.055 0.000 2.696 380 I HA 0.477 4.653 4.170 0.009 0.000 0.284 380 I C -2.085 174.077 176.117 0.074 0.000 1.129 380 I CA -1.512 59.867 61.300 0.131 0.000 1.410 380 I CB 1.048 39.173 38.000 0.209 0.000 1.399 380 I HN 0.378 nan 8.210 nan 0.000 0.579 381 P HA 0.083 nan 4.420 nan 0.000 0.276 381 P C -1.181 176.113 177.300 -0.011 0.000 1.252 381 P CA -0.354 62.784 63.100 0.063 0.000 0.802 381 P CB 0.726 32.496 31.700 0.115 0.000 1.035 382 Q N 0.273 120.080 119.800 0.013 0.000 2.352 382 Q HA 0.340 4.686 4.340 0.009 0.000 0.260 382 Q C 0.428 176.397 176.000 -0.053 0.000 0.976 382 Q CA -0.357 55.435 55.803 -0.019 0.000 0.881 382 Q CB 0.231 28.965 28.738 -0.006 0.000 1.235 382 Q HN 0.600 nan 8.270 nan 0.000 0.419 383 G N 3.429 112.185 108.800 -0.074 0.000 2.398 383 G HA2 0.233 4.198 3.960 0.009 0.000 0.246 383 G HA3 0.233 4.198 3.960 0.009 0.000 0.246 383 G C -0.653 174.211 174.900 -0.060 0.000 1.289 383 G CA -0.322 44.739 45.100 -0.065 0.000 0.869 383 G HN 0.637 nan 8.290 nan 0.000 0.543 384 R N 0.561 121.013 120.500 -0.081 0.000 2.892 384 R HA 0.524 4.870 4.340 0.009 0.000 0.265 384 R C -0.239 175.763 176.300 -0.496 0.000 1.025 384 R CA -0.727 55.227 56.100 -0.244 0.000 0.982 384 R CB 1.936 32.087 30.300 -0.249 0.000 1.185 384 R HN 0.534 nan 8.270 nan 0.000 0.484 385 S N 0.931 116.326 115.700 -0.508 0.000 2.523 385 S HA 0.217 4.693 4.470 0.009 0.000 0.275 385 S C -0.906 173.242 174.600 -0.753 0.000 1.281 385 S CA -0.372 57.517 58.200 -0.517 0.000 1.050 385 S CB 0.176 63.199 63.200 -0.296 0.000 0.937 385 S HN 0.408 nan 8.310 nan 0.000 0.492 386 H N 4.036 122.896 119.070 -0.350 0.000 2.679 386 H HA 0.412 4.974 4.556 0.009 0.000 0.360 386 H C -2.473 172.660 175.328 -0.325 0.000 1.105 386 H CA -1.707 54.154 56.048 -0.312 0.000 1.196 386 H CB 1.419 30.905 29.762 -0.460 0.000 1.636 386 H HN 0.510 nan 8.280 nan 0.000 0.531 387 P HA 0.067 nan 4.420 nan 0.000 0.276 387 P C 0.057 177.316 177.300 -0.068 0.000 1.230 387 P CA -0.464 62.591 63.100 -0.076 0.000 0.776 387 P CB 1.152 32.839 31.700 -0.021 0.000 0.888 388 V N 4.340 124.205 119.914 -0.080 0.000 2.485 388 V HA 0.020 4.145 4.120 0.009 0.000 0.287 388 V C 0.766 176.886 176.094 0.043 0.000 1.022 388 V CA 0.547 62.827 62.300 -0.034 0.000 1.067 388 V CB -0.478 31.330 31.823 -0.025 0.000 0.967 388 V HN 0.547 nan 8.190 nan 0.000 0.479 389 Q N 5.256 125.123 119.800 0.111 0.000 2.356 389 Q HA 0.460 4.805 4.340 0.009 0.000 0.270 389 Q C -2.498 173.620 176.000 0.197 0.000 1.058 389 Q CA -1.797 54.087 55.803 0.134 0.000 0.802 389 Q CB 2.483 31.302 28.738 0.135 0.000 1.303 389 Q HN 0.541 nan 8.270 nan 0.000 0.444 390 P HA 0.068 nan 4.420 nan 0.000 0.272 390 P C -1.519 175.920 177.300 0.231 0.000 1.223 390 P CA 0.090 63.275 63.100 0.140 0.000 0.784 390 P CB 0.236 31.977 31.700 0.070 0.000 0.923 391 Y N -0.784 119.544 120.300 0.047 0.000 2.581 391 Y HA 0.682 5.237 4.550 0.009 0.000 0.337 391 Y C -2.898 173.030 175.900 0.046 0.000 1.108 391 Y CA -2.863 55.259 58.100 0.036 0.000 1.033 391 Y CB -0.251 38.222 38.460 0.020 0.000 1.318 391 Y HN 0.233 nan 8.280 nan 0.000 0.459 392 P HA 0.465 nan 4.420 nan 0.000 0.274 392 P C -0.244 177.082 177.300 0.044 0.000 1.231 392 P CA 0.105 63.239 63.100 0.056 0.000 0.790 392 P CB 1.753 33.517 31.700 0.105 0.000 0.951 393 G N 0.095 108.917 108.800 0.036 0.000 3.310 393 G HA2 0.598 4.563 3.960 0.009 0.000 0.176 393 G HA3 0.598 4.563 3.960 0.009 0.000 0.176 393 G C -0.588 174.415 174.900 0.173 0.000 1.307 393 G CA -0.158 44.996 45.100 0.090 0.000 0.935 393 G HN 0.736 nan 8.290 nan 0.000 0.628 394 A N -0.894 122.041 122.820 0.192 0.000 2.272 394 A HA 0.614 4.940 4.320 0.009 0.000 0.275 394 A C -0.956 176.763 177.584 0.225 0.000 1.096 394 A CA -0.401 51.775 52.037 0.231 0.000 0.822 394 A CB 0.487 19.606 19.000 0.198 0.000 1.088 394 A HN 0.695 nan 8.150 nan 0.000 0.495 395 F N 1.183 121.193 119.950 0.101 0.000 2.404 395 F HA 0.559 5.091 4.527 0.010 0.000 0.339 395 F C -0.483 175.347 175.800 0.050 0.000 1.105 395 F CA -0.463 57.582 58.000 0.075 0.000 1.087 395 F CB 1.325 40.370 39.000 0.076 0.000 1.143 395 F HN 0.251 nan 8.300 nan 0.000 0.491 396 V N 6.426 125.852 119.914 -0.812 0.000 2.483 396 V HA 0.285 4.411 4.120 0.009 0.000 0.297 396 V C -0.358 175.111 176.094 -1.042 0.000 1.027 396 V CA -1.254 60.638 62.300 -0.680 0.000 0.855 396 V CB 1.471 33.151 31.823 -0.239 0.000 0.995 396 V HN 0.734 nan 8.190 nan 0.000 0.424 397 K N 2.807 122.742 120.400 -0.776 0.000 2.298 397 K HA 0.254 4.579 4.320 0.009 0.000 0.280 397 K C 0.006 176.567 176.600 -0.065 0.000 1.032 397 K CA -0.382 55.684 56.287 -0.367 0.000 0.958 397 K CB 0.875 33.330 32.500 -0.075 0.000 0.978 397 K HN 0.757 nan 8.250 nan 0.000 0.472 398 E N 6.105 126.313 120.200 0.014 0.000 2.166 398 E HA 0.116 4.472 4.350 0.009 0.000 0.279 398 E C -2.196 174.476 176.600 0.121 0.000 1.095 398 E CA -1.798 54.660 56.400 0.096 0.000 0.888 398 E CB 0.600 30.346 29.700 0.076 0.000 1.041 398 E HN 0.312 nan 8.360 nan 0.000 0.414 399 P HA 0.180 nan 4.420 nan 0.000 0.281 399 P C -0.435 176.914 177.300 0.081 0.000 1.249 399 P CA -0.313 62.811 63.100 0.040 0.000 0.810 399 P CB 0.810 32.424 31.700 -0.143 0.000 1.008 400 I N 3.353 123.980 120.570 0.095 0.000 2.436 400 I HA 0.125 4.300 4.170 0.009 0.000 0.289 400 I C -1.886 174.361 176.117 0.216 0.000 1.083 400 I CA -2.019 59.365 61.300 0.140 0.000 1.372 400 I CB 0.208 38.287 38.000 0.131 0.000 1.408 400 I HN 0.143 nan 8.210 nan 0.000 0.516 401 P HA 0.134 nan 4.420 nan 0.000 0.267 401 P C -0.645 176.753 177.300 0.164 0.000 1.209 401 P CA 0.193 63.427 63.100 0.223 0.000 0.763 401 P CB 0.487 32.280 31.700 0.154 0.000 0.816 402 N N 1.246 120.073 118.700 0.212 0.000 3.533 402 N HA 0.128 4.874 4.740 0.009 0.000 0.229 402 N C -1.323 174.188 175.510 0.002 0.000 1.418 402 N CA -0.868 52.156 53.050 -0.044 0.000 0.880 402 N CB 1.278 39.537 38.487 -0.380 0.000 1.415 402 N HN 0.286 nan 8.380 nan 0.000 0.491 403 R N 0.436 120.865 120.500 -0.119 0.000 2.539 403 R HA 0.476 4.822 4.340 0.009 0.000 0.275 403 R C -1.042 175.093 176.300 -0.276 0.000 1.077 403 R CA 0.063 56.160 56.100 -0.005 0.000 1.097 403 R CB 0.382 30.678 30.300 -0.007 0.000 1.018 403 R HN 0.482 nan 8.270 nan 0.000 0.483 404 Y N 0.859 121.282 120.300 0.205 0.000 2.322 404 Y HA 0.234 4.789 4.550 0.009 0.000 0.324 404 Y C 0.763 176.731 175.900 0.114 0.000 1.027 404 Y CA -0.871 57.329 58.100 0.166 0.000 1.179 404 Y CB 2.124 40.726 38.460 0.237 0.000 1.136 404 Y HN 0.726 nan 8.280 nan 0.000 0.449 405 K N 2.311 122.788 120.400 0.128 0.000 1.980 405 K HA 0.033 4.359 4.320 0.009 0.000 0.208 405 K C -0.633 175.824 176.600 -0.239 0.000 1.043 405 K CA 1.227 57.450 56.287 -0.107 0.000 0.938 405 K CB 0.114 32.497 32.500 -0.195 0.000 0.724 405 K HN 0.609 nan 8.250 nan 0.000 0.438 406 Y N 0.482 120.839 120.300 0.094 0.000 2.331 406 Y HA 0.368 4.924 4.550 0.009 0.000 0.338 406 Y C -0.829 175.191 175.900 0.200 0.000 0.976 406 Y CA -1.017 57.130 58.100 0.078 0.000 1.137 406 Y CB 1.934 40.357 38.460 -0.061 0.000 1.172 406 Y HN -0.246 nan 8.280 nan 0.000 0.478 407 V N 5.219 125.372 119.914 0.398 0.000 2.709 407 V HA 0.463 4.588 4.120 0.009 0.000 0.308 407 V C -0.440 175.872 176.094 0.364 0.000 1.062 407 V CA -0.995 61.534 62.300 0.382 0.000 0.901 407 V CB 2.074 34.156 31.823 0.431 0.000 1.003 407 V HN 0.778 nan 8.190 nan 0.000 0.425 408 M N 3.754 123.542 119.600 0.315 0.000 2.321 408 M HA 0.528 5.014 4.480 0.009 0.000 0.315 408 M C -0.287 176.065 176.300 0.086 0.000 1.052 408 M CA -0.336 55.073 55.300 0.182 0.000 0.936 408 M CB 2.419 35.145 32.600 0.211 0.000 1.639 408 M HN 0.812 nan 8.290 nan 0.000 0.433 409 S N 2.246 117.846 115.700 -0.166 0.000 2.593 409 S HA 0.870 5.345 4.470 0.009 0.000 0.297 409 S C -0.969 173.319 174.600 -0.520 0.000 1.112 409 S CA -0.620 57.373 58.200 -0.346 0.000 1.043 409 S CB 1.349 64.176 63.200 -0.622 0.000 1.054 409 S HN 0.452 nan 8.310 nan 0.000 0.516 410 F N 0.210 120.062 119.950 -0.163 0.000 2.588 410 F HA 0.692 5.225 4.527 0.009 0.000 0.314 410 F C -0.246 175.527 175.800 -0.044 0.000 1.069 410 F CA -0.748 57.222 58.000 -0.050 0.000 0.931 410 F CB 2.273 41.280 39.000 0.012 0.000 1.260 410 F HN 0.814 nan 8.300 nan 0.000 0.465 411 D N 1.031 121.541 120.400 0.184 0.000 2.927 411 D HA 0.483 5.129 4.640 0.009 0.000 0.219 411 D C -1.672 174.710 176.300 0.137 0.000 1.248 411 D CA -0.360 53.714 54.000 0.125 0.000 0.861 411 D CB 1.518 42.358 40.800 0.066 0.000 1.677 411 D HN 0.463 nan 8.370 nan 0.000 0.511 412 L N 2.843 124.134 121.223 0.113 0.000 2.360 412 L HA 0.315 4.661 4.340 0.009 0.000 0.276 412 L C 0.522 177.422 176.870 0.050 0.000 1.121 412 L CA -0.162 54.715 54.840 0.061 0.000 0.845 412 L CB 1.089 43.149 42.059 0.001 0.000 1.143 412 L HN 0.473 nan 8.230 nan 0.000 0.452 413 T N 2.088 116.682 114.554 0.067 0.000 2.902 413 T HA -0.036 4.319 4.350 0.009 0.000 0.301 413 T C 0.733 175.457 174.700 0.040 0.000 1.012 413 T CA -0.185 61.975 62.100 0.099 0.000 1.151 413 T CB 0.379 69.363 68.868 0.194 0.000 0.946 413 T HN 0.738 nan 8.240 nan 0.000 0.542 414 S N 2.117 117.867 115.700 0.084 0.000 3.247 414 S HA -0.153 4.323 4.470 0.009 0.000 0.341 414 S C 1.228 175.802 174.600 -0.043 0.000 0.924 414 S CA -0.152 58.079 58.200 0.051 0.000 1.323 414 S CB -1.078 62.211 63.200 0.148 0.000 0.918 414 S HN 0.657 nan 8.310 nan 0.000 0.523 415 L N 2.438 123.653 121.223 -0.013 0.000 1.956 415 L HA -0.142 4.203 4.340 0.009 0.000 0.216 415 L C 1.939 178.877 176.870 0.112 0.000 1.073 415 L CA 2.167 57.022 54.840 0.026 0.000 0.762 415 L CB -0.714 41.398 42.059 0.089 0.000 0.889 415 L HN 0.616 nan 8.230 nan 0.000 0.433 416 Y N -0.195 120.056 120.300 -0.081 0.000 2.181 416 Y HA -0.099 4.457 4.550 0.009 0.000 0.288 416 Y C -0.096 175.700 175.900 -0.174 0.000 1.146 416 Y CA 0.950 58.988 58.100 -0.103 0.000 1.164 416 Y CB -2.490 35.939 38.460 -0.052 0.000 0.982 416 Y HN 0.323 nan 8.280 nan 0.000 0.515 417 P HA -0.092 nan 4.420 nan 0.000 0.217 417 P C 1.839 178.972 177.300 -0.279 0.000 1.150 417 P CA 2.188 65.203 63.100 -0.141 0.000 0.832 417 P CB 0.040 31.683 31.700 -0.094 0.000 0.787 418 S N -0.843 114.664 115.700 -0.321 0.000 2.402 418 S HA -0.095 4.381 4.470 0.009 0.000 0.229 418 S C 1.849 176.197 174.600 -0.421 0.000 1.021 418 S CA 0.975 58.918 58.200 -0.427 0.000 0.974 418 S CB -1.013 61.921 63.200 -0.443 0.000 0.800 418 S HN 0.123 nan 8.310 nan 0.000 0.484 419 I N 1.278 121.624 120.570 -0.374 0.000 2.202 419 I HA -0.166 4.010 4.170 0.009 0.000 0.242 419 I C 2.053 177.838 176.117 -0.553 0.000 1.091 419 I CA 1.129 62.102 61.300 -0.546 0.000 1.368 419 I CB -0.410 37.305 38.000 -0.474 0.000 1.058 419 I HN 0.230 nan 8.210 nan 0.000 0.410 420 I N 0.589 120.907 120.570 -0.421 0.000 2.145 420 I HA -0.359 3.817 4.170 0.009 0.000 0.244 420 I C 2.735 178.620 176.117 -0.388 0.000 1.075 420 I CA 1.697 62.757 61.300 -0.400 0.000 1.332 420 I CB -0.386 37.427 38.000 -0.312 0.000 1.033 420 I HN 0.207 nan 8.210 nan 0.000 0.410 421 R N -0.009 120.279 120.500 -0.353 0.000 2.073 421 R HA -0.176 4.170 4.340 0.009 0.000 0.229 421 R C 2.296 178.410 176.300 -0.309 0.000 1.120 421 R CA 1.311 57.230 56.100 -0.301 0.000 0.967 421 R CB -0.363 29.762 30.300 -0.292 0.000 0.862 421 R HN 0.432 nan 8.270 nan 0.000 0.436 422 Q N 0.815 120.386 119.800 -0.382 0.000 2.046 422 Q HA -0.110 4.236 4.340 0.009 0.000 0.200 422 Q C 1.732 177.529 176.000 -0.338 0.000 0.975 422 Q CA 1.610 57.198 55.803 -0.357 0.000 0.836 422 Q CB 0.200 28.682 28.738 -0.426 0.000 0.896 422 Q HN 0.154 nan 8.270 nan 0.000 0.428 423 V N 0.949 120.580 119.914 -0.471 0.000 2.951 423 V HA -0.051 4.074 4.120 0.009 0.000 0.255 423 V C 0.518 176.382 176.094 -0.384 0.000 1.088 423 V CA 0.881 62.923 62.300 -0.429 0.000 1.109 423 V CB -0.792 30.672 31.823 -0.599 0.000 0.724 423 V HN 0.698 nan 8.190 nan 0.000 0.471 424 N N -0.008 118.452 118.700 -0.400 0.000 2.814 424 N HA -0.190 4.556 4.740 0.009 0.000 0.247 424 N C -0.551 174.627 175.510 -0.554 0.000 1.089 424 N CA 0.238 53.086 53.050 -0.337 0.000 0.682 424 N CB -1.558 36.842 38.487 -0.144 0.000 0.970 424 N HN 0.532 nan 8.380 nan 0.000 0.554 425 I N 0.508 120.653 120.570 -0.709 0.000 2.379 425 I HA 0.290 4.466 4.170 0.009 0.000 0.290 425 I C 0.699 176.571 176.117 -0.409 0.000 1.063 425 I CA 0.142 60.924 61.300 -0.863 0.000 1.351 425 I CB 1.114 38.667 38.000 -0.746 0.000 1.410 425 I HN 0.263 nan 8.210 nan 0.000 0.505 426 S N 7.059 122.616 115.700 -0.237 0.000 2.565 426 S HA 0.424 4.900 4.470 0.009 0.000 0.269 426 S C -2.040 172.544 174.600 -0.026 0.000 1.153 426 S CA -1.027 57.093 58.200 -0.132 0.000 0.835 426 S CB 1.804 64.927 63.200 -0.129 0.000 1.122 426 S HN 0.303 nan 8.310 nan 0.000 0.462 427 P HA -0.143 nan 4.420 nan 0.000 0.216 427 P C 0.878 178.240 177.300 0.103 0.000 1.153 427 P CA 1.368 64.500 63.100 0.054 0.000 0.858 427 P CB -0.007 31.729 31.700 0.061 0.000 0.789 428 E N 0.019 120.220 120.200 0.001 0.000 2.474 428 E HA -0.004 4.352 4.350 0.009 0.000 0.195 428 E C 0.857 177.549 176.600 0.153 0.000 1.039 428 E CA 0.770 57.190 56.400 0.032 0.000 0.881 428 E CB -0.967 28.647 29.700 -0.144 0.000 0.970 428 E HN 0.271 nan 8.360 nan 0.000 0.486 429 T N -1.270 113.340 114.554 0.092 0.000 3.069 429 T HA 0.323 4.679 4.350 0.009 0.000 0.252 429 T C 1.045 175.566 174.700 -0.297 0.000 1.053 429 T CA -0.465 61.668 62.100 0.054 0.000 0.964 429 T CB -0.400 68.537 68.868 0.115 0.000 1.005 429 T HN 0.021 nan 8.240 nan 0.000 0.532 430 I N 2.215 122.653 120.570 -0.221 0.000 2.662 430 I HA 0.199 4.374 4.170 0.009 0.000 0.285 430 I C 1.467 177.102 176.117 -0.803 0.000 1.161 430 I CA -0.194 60.819 61.300 -0.478 0.000 1.415 430 I CB 0.734 38.570 38.000 -0.273 0.000 1.385 430 I HN 0.296 nan 8.210 nan 0.000 0.552 431 A N 4.958 127.183 122.820 -0.992 0.000 2.140 431 A HA 0.630 4.955 4.320 0.009 0.000 0.209 431 A C 0.975 178.168 177.584 -0.652 0.000 1.181 431 A CA 0.693 52.088 52.037 -1.071 0.000 0.824 431 A CB 0.192 18.247 19.000 -1.574 0.000 0.879 431 A HN 0.919 nan 8.150 nan 0.000 0.480 432 G N -1.601 106.878 108.800 -0.534 0.000 2.339 432 G HA2 0.446 4.411 3.960 0.009 0.000 0.275 432 G HA3 0.446 4.411 3.960 0.009 0.000 0.275 432 G C -0.419 174.316 174.900 -0.275 0.000 1.323 432 G CA 0.175 45.082 45.100 -0.321 0.000 0.927 432 G HN 1.062 nan 8.290 nan 0.000 0.486 433 T N -1.722 112.736 114.554 -0.159 0.000 2.916 433 T HA 0.871 5.227 4.350 0.009 0.000 0.292 433 T C -0.507 174.195 174.700 0.004 0.000 1.064 433 T CA -0.170 61.836 62.100 -0.158 0.000 1.011 433 T CB 2.098 70.844 68.868 -0.203 0.000 1.152 433 T HN 1.829 nan 8.240 nan 0.000 0.510 434 F N -1.207 118.703 119.950 -0.067 0.000 2.631 434 F HA 0.796 5.328 4.527 0.010 0.000 0.328 434 F C -0.305 175.493 175.800 -0.002 0.000 1.067 434 F CA -1.692 56.295 58.000 -0.021 0.000 0.969 434 F CB 1.481 40.477 39.000 -0.007 0.000 1.332 434 F HN 0.658 nan 8.300 nan 0.000 0.490 435 K N 1.947 122.488 120.400 0.234 0.000 2.338 435 K HA 0.456 4.781 4.320 0.009 0.000 0.290 435 K C -1.131 175.605 176.600 0.227 0.000 1.069 435 K CA -0.395 55.969 56.287 0.129 0.000 0.941 435 K CB 0.569 33.148 32.500 0.131 0.000 1.023 435 K HN 0.619 nan 8.250 nan 0.000 0.477 436 V N 3.768 123.713 119.914 0.052 0.000 2.583 436 V HA 0.294 4.419 4.120 0.009 0.000 0.287 436 V C 0.552 176.776 176.094 0.217 0.000 1.051 436 V CA -0.607 61.795 62.300 0.170 0.000 1.010 436 V CB 1.012 32.829 31.823 -0.011 0.000 0.988 436 V HN 0.903 nan 8.190 nan 0.000 0.478 437 A N 6.616 129.618 122.820 0.303 0.000 2.256 437 A HA 0.823 5.149 4.320 0.009 0.000 0.318 437 A C -2.519 175.119 177.584 0.091 0.000 1.103 437 A CA -1.908 50.154 52.037 0.042 0.000 0.860 437 A CB 0.309 19.143 19.000 -0.278 0.000 1.182 437 A HN 0.696 nan 8.150 nan 0.000 0.501 438 P HA 0.058 nan 4.420 nan 0.000 0.266 438 P C 0.906 178.285 177.300 0.132 0.000 1.195 438 P CA -0.245 62.906 63.100 0.085 0.000 0.768 438 P CB 0.424 32.160 31.700 0.059 0.000 0.838 439 L N 3.661 125.007 121.223 0.205 0.000 2.081 439 L HA -0.236 4.109 4.340 0.009 0.000 0.212 439 L C 2.227 179.219 176.870 0.205 0.000 1.080 439 L CA 2.075 57.073 54.840 0.264 0.000 0.754 439 L CB -1.266 40.892 42.059 0.164 0.000 0.893 439 L HN 0.510 nan 8.230 nan 0.000 0.433 440 H N -0.889 118.210 119.070 0.049 0.000 2.390 440 H HA -0.195 4.367 4.556 0.009 0.000 0.298 440 H C 1.722 177.053 175.328 0.005 0.000 1.106 440 H CA 2.206 58.261 56.048 0.011 0.000 1.297 440 H CB -0.024 29.733 29.762 -0.009 0.000 1.375 440 H HN 0.433 nan 8.280 nan 0.000 0.509 441 D N -0.689 119.725 120.400 0.023 0.000 2.149 441 D HA -0.128 4.518 4.640 0.009 0.000 0.201 441 D C 1.624 177.866 176.300 -0.097 0.000 0.972 441 D CA 1.020 54.957 54.000 -0.105 0.000 0.835 441 D CB -0.304 40.375 40.800 -0.202 0.000 0.966 441 D HN 0.505 nan 8.370 nan 0.000 0.476 442 Y N 0.738 121.136 120.300 0.163 0.000 2.220 442 Y HA 0.047 4.602 4.550 0.009 0.000 0.291 442 Y C 2.384 178.506 175.900 0.371 0.000 1.129 442 Y CA 0.203 58.480 58.100 0.294 0.000 1.161 442 Y CB -0.526 38.016 38.460 0.137 0.000 0.997 442 Y HN -0.075 nan 8.280 nan 0.000 0.522 443 I N 0.305 121.058 120.570 0.305 0.000 2.194 443 I HA -0.351 3.824 4.170 0.009 0.000 0.246 443 I C 1.306 177.401 176.117 -0.037 0.000 1.093 443 I CA 1.598 63.010 61.300 0.186 0.000 1.355 443 I CB -0.303 37.679 38.000 -0.030 0.000 1.046 443 I HN 0.297 nan 8.210 nan 0.000 0.413 444 N N 0.768 119.369 118.700 -0.166 0.000 2.270 444 N HA 0.211 4.957 4.740 0.009 0.000 0.198 444 N C 0.685 176.067 175.510 -0.212 0.000 1.117 444 N CA 0.780 53.660 53.050 -0.284 0.000 0.845 444 N CB 0.703 38.976 38.487 -0.356 0.000 0.980 444 N HN 0.267 nan 8.380 nan 0.000 0.486 445 A N 0.463 123.261 122.820 -0.037 0.000 2.791 445 A HA -0.184 4.142 4.320 0.009 0.000 0.292 445 A C 1.330 178.847 177.584 -0.111 0.000 1.487 445 A CA 1.052 53.031 52.037 -0.098 0.000 0.760 445 A CB -2.168 16.650 19.000 -0.304 0.000 1.031 445 A HN 0.288 nan 8.150 nan 0.000 0.503 446 V N -4.102 115.794 119.914 -0.030 0.000 3.523 446 V HA 0.662 4.788 4.120 0.009 0.000 0.255 446 V C 1.246 177.345 176.094 0.009 0.000 1.226 446 V CA 0.873 63.155 62.300 -0.030 0.000 1.092 446 V CB -0.502 31.296 31.823 -0.041 0.000 0.817 446 V HN 2.046 nan 8.190 nan 0.000 0.458 447 A N 1.086 123.915 122.820 0.016 0.000 2.425 447 A HA 0.290 4.616 4.320 0.009 0.000 0.242 447 A C 0.407 178.081 177.584 0.149 0.000 1.077 447 A CA -0.014 51.994 52.037 -0.047 0.000 0.781 447 A CB -0.057 18.633 19.000 -0.517 0.000 1.020 447 A HN 0.646 nan 8.150 nan 0.000 0.494 448 E N 0.451 120.709 120.200 0.097 0.000 2.442 448 E HA 0.036 4.391 4.350 0.009 0.000 0.262 448 E C 0.397 177.096 176.600 0.165 0.000 1.004 448 E CA -0.156 56.320 56.400 0.127 0.000 0.928 448 E CB 0.357 30.104 29.700 0.078 0.000 0.937 448 E HN 0.539 nan 8.360 nan 0.000 0.446 449 R N 4.900 125.499 120.500 0.166 0.000 2.458 449 R HA -0.004 4.342 4.340 0.009 0.000 0.303 449 R C -1.739 174.476 176.300 -0.142 0.000 1.013 449 R CA -0.918 55.215 56.100 0.055 0.000 1.026 449 R CB 0.420 30.784 30.300 0.108 0.000 0.948 449 R HN 0.433 nan 8.270 nan 0.000 0.417 450 P HA -0.120 nan 4.420 nan 0.000 0.215 450 P C -0.267 176.735 177.300 -0.497 0.000 1.157 450 P CA 1.085 63.693 63.100 -0.820 0.000 0.874 450 P CB 0.282 31.011 31.700 -1.619 0.000 0.790 451 S N -2.240 113.271 115.700 -0.316 0.000 2.537 451 S HA 0.243 4.719 4.470 0.009 0.000 0.270 451 S C -0.661 173.877 174.600 -0.104 0.000 1.142 451 S CA -0.683 57.430 58.200 -0.146 0.000 0.870 451 S CB 0.892 64.054 63.200 -0.062 0.000 1.112 451 S HN -0.164 nan 8.310 nan 0.000 0.466 452 D N 2.590 122.937 120.400 -0.088 0.000 2.363 452 D HA 0.238 4.884 4.640 0.009 0.000 0.214 452 D C 0.979 177.200 176.300 -0.133 0.000 1.093 452 D CA 0.489 54.438 54.000 -0.085 0.000 0.837 452 D CB 0.878 41.641 40.800 -0.063 0.000 0.948 452 D HN 0.303 nan 8.370 nan 0.000 0.507 453 V N -0.424 119.363 119.914 -0.212 0.000 3.159 453 V HA 0.108 4.234 4.120 0.009 0.000 0.234 453 V C -0.103 175.740 176.094 -0.418 0.000 1.313 453 V CA 0.261 62.312 62.300 -0.416 0.000 1.271 453 V CB 0.498 31.876 31.823 -0.742 0.000 1.053 453 V HN -0.093 nan 8.190 nan 0.000 0.476 454 Y N 0.216 120.522 120.300 0.010 0.000 2.567 454 Y HA 0.667 5.223 4.550 0.010 0.000 0.333 454 Y C 0.550 176.454 175.900 0.007 0.000 1.106 454 Y CA -1.195 56.921 58.100 0.027 0.000 1.157 454 Y CB 1.384 39.854 38.460 0.016 0.000 1.277 454 Y HN -0.027 nan 8.280 nan 0.000 0.490 455 S N 0.814 116.654 115.700 0.234 0.000 2.513 455 S HA 0.571 5.046 4.470 0.009 0.000 0.276 455 S C -0.870 173.842 174.600 0.187 0.000 1.254 455 S CA -0.369 57.917 58.200 0.143 0.000 1.053 455 S CB -0.381 62.884 63.200 0.108 0.000 0.958 455 S HN 0.660 nan 8.310 nan 0.000 0.491 456 C N 3.678 123.046 119.300 0.114 0.000 2.614 456 C HA 0.870 5.336 4.460 0.009 0.000 0.320 456 C C 0.023 175.136 174.990 0.205 0.000 1.200 456 C CA -0.840 58.268 59.018 0.151 0.000 1.700 456 C CB 1.348 29.042 27.740 -0.077 0.000 2.275 456 C HN 0.971 nan 8.230 nan 0.000 0.492 457 S N 1.460 117.328 115.700 0.281 0.000 2.513 457 S HA 0.522 4.998 4.470 0.009 0.000 0.299 457 S C -2.286 172.392 174.600 0.130 0.000 1.087 457 S CA -1.094 57.263 58.200 0.261 0.000 1.012 457 S CB 1.714 65.060 63.200 0.242 0.000 1.044 457 S HN 0.639 nan 8.310 nan 0.000 0.485 458 P HA -0.052 nan 4.420 nan 0.000 0.244 458 P C 0.480 177.705 177.300 -0.124 0.000 1.211 458 P CA 0.582 63.524 63.100 -0.264 0.000 0.760 458 P CB -0.326 31.148 31.700 -0.376 0.000 0.961 459 N N -0.233 118.414 118.700 -0.088 0.000 2.398 459 N HA -0.005 4.740 4.740 0.009 0.000 0.188 459 N C 1.320 176.651 175.510 -0.297 0.000 1.122 459 N CA 0.962 53.938 53.050 -0.123 0.000 0.866 459 N CB -0.684 37.762 38.487 -0.068 0.000 0.970 459 N HN 0.195 nan 8.380 nan 0.000 0.462 460 G N -0.411 108.044 108.800 -0.575 0.000 2.179 460 G HA2 -0.190 3.776 3.960 0.009 0.000 0.220 460 G HA3 -0.190 3.776 3.960 0.009 0.000 0.220 460 G C -0.164 174.244 174.900 -0.819 0.000 0.990 460 G CA -0.032 44.333 45.100 -1.225 0.000 0.646 460 G HN 0.197 nan 8.290 nan 0.000 0.517 461 M N 0.916 120.312 119.600 -0.341 0.000 2.249 461 M HA 0.649 5.135 4.480 0.009 0.000 0.351 461 M C 0.584 176.763 176.300 -0.202 0.000 1.180 461 M CA 0.164 55.284 55.300 -0.301 0.000 1.127 461 M CB 0.975 33.406 32.600 -0.282 0.000 1.546 461 M HN 0.207 nan 8.290 nan 0.000 0.461 462 M N 2.725 122.061 119.600 -0.440 0.000 2.528 462 M HA 0.520 5.005 4.480 0.009 0.000 0.321 462 M C -1.545 174.279 176.300 -0.792 0.000 1.153 462 M CA -0.575 54.523 55.300 -0.337 0.000 0.951 462 M CB 2.070 34.596 32.600 -0.124 0.000 1.705 462 M HN 0.462 nan 8.290 nan 0.000 0.451 463 Y N -0.335 119.863 120.300 -0.169 0.000 2.545 463 Y HA 0.469 5.025 4.550 0.009 0.000 0.348 463 Y C -0.730 175.116 175.900 -0.089 0.000 1.002 463 Y CA -0.909 57.037 58.100 -0.256 0.000 1.039 463 Y CB 1.389 39.749 38.460 -0.166 0.000 1.271 463 Y HN 0.468 nan 8.280 nan 0.000 0.467 464 Y N 1.350 121.736 120.300 0.143 0.000 2.578 464 Y HA 0.060 4.616 4.550 0.009 0.000 0.339 464 Y C 1.009 177.005 175.900 0.160 0.000 1.231 464 Y CA 0.056 58.268 58.100 0.186 0.000 1.461 464 Y CB 0.696 39.220 38.460 0.107 0.000 1.323 464 Y HN 0.530 nan 8.280 nan 0.000 0.590 465 K N 0.970 121.569 120.400 0.331 0.000 2.374 465 K HA -0.024 4.302 4.320 0.009 0.000 0.202 465 K C 0.606 177.267 176.600 0.102 0.000 1.040 465 K CA 0.269 56.655 56.287 0.165 0.000 1.085 465 K CB 0.352 32.924 32.500 0.120 0.000 0.873 465 K HN 0.723 nan 8.250 nan 0.000 0.539 466 D N 1.644 122.107 120.400 0.105 0.000 2.249 466 D HA -0.093 4.552 4.640 0.009 0.000 0.205 466 D C 0.471 176.783 176.300 0.021 0.000 0.962 466 D CA 0.464 54.485 54.000 0.035 0.000 0.860 466 D CB 0.293 41.087 40.800 -0.009 0.000 0.955 466 D HN 0.165 nan 8.370 nan 0.000 0.505 467 R N -0.353 120.171 120.500 0.039 0.000 2.680 467 R HA 0.373 4.719 4.340 0.009 0.000 0.269 467 R C -1.573 174.746 176.300 0.031 0.000 1.026 467 R CA -0.834 55.279 56.100 0.021 0.000 0.889 467 R CB 0.823 31.123 30.300 0.001 0.000 1.241 467 R HN -0.334 nan 8.270 nan 0.000 0.463 468 D N 1.418 121.822 120.400 0.006 0.000 2.389 468 D HA 0.168 4.814 4.640 0.009 0.000 0.247 468 D C 0.514 176.806 176.300 -0.013 0.000 1.128 468 D CA 0.569 54.561 54.000 -0.012 0.000 0.884 468 D CB 1.283 42.070 40.800 -0.023 0.000 1.194 468 D HN 0.661 nan 8.370 nan 0.000 0.441 469 G N 0.539 109.320 108.800 -0.031 0.000 2.636 469 G HA2 0.099 4.064 3.960 0.009 0.000 0.246 469 G HA3 0.099 4.064 3.960 0.009 0.000 0.246 469 G C 1.228 176.087 174.900 -0.068 0.000 1.216 469 G CA -0.605 44.466 45.100 -0.048 0.000 0.854 469 G HN 0.374 nan 8.290 nan 0.000 0.572 470 V N 1.230 121.092 119.914 -0.087 0.000 2.515 470 V HA -0.142 3.984 4.120 0.009 0.000 0.250 470 V C 2.801 178.841 176.094 -0.089 0.000 1.058 470 V CA 2.022 64.273 62.300 -0.082 0.000 1.064 470 V CB -0.332 31.427 31.823 -0.107 0.000 0.675 470 V HN 0.457 nan 8.190 nan 0.000 0.461 471 V N 0.722 120.545 119.914 -0.150 0.000 2.261 471 V HA -0.113 4.013 4.120 0.009 0.000 0.246 471 V C 0.238 176.240 176.094 -0.154 0.000 1.047 471 V CA 2.710 64.902 62.300 -0.179 0.000 1.015 471 V CB -1.790 29.898 31.823 -0.225 0.000 0.642 471 V HN 0.506 nan 8.190 nan 0.000 0.446 472 P HA -0.117 nan 4.420 nan 0.000 0.215 472 P C 1.835 179.101 177.300 -0.057 0.000 1.153 472 P CA 1.741 64.763 63.100 -0.131 0.000 0.853 472 P CB -0.203 31.410 31.700 -0.145 0.000 0.788 473 T N -0.258 114.279 114.554 -0.028 0.000 2.684 473 T HA -0.147 4.208 4.350 0.009 0.000 0.267 473 T C 1.574 176.326 174.700 0.085 0.000 1.036 473 T CA 1.318 63.431 62.100 0.023 0.000 1.148 473 T CB -0.629 68.250 68.868 0.019 0.000 0.863 473 T HN 0.167 nan 8.240 nan 0.000 0.436 474 E N 0.549 120.817 120.200 0.113 0.000 2.112 474 E HA 0.115 4.471 4.350 0.009 0.000 0.190 474 E C 2.186 178.995 176.600 0.349 0.000 0.979 474 E CA 0.333 56.890 56.400 0.261 0.000 0.814 474 E CB -0.384 29.528 29.700 0.353 0.000 0.762 474 E HN 0.454 nan 8.360 nan 0.000 0.460 475 I N 1.145 121.817 120.570 0.171 0.000 2.394 475 I HA -0.234 3.942 4.170 0.009 0.000 0.251 475 I C 1.795 178.037 176.117 0.208 0.000 1.136 475 I CA 1.075 62.471 61.300 0.160 0.000 1.425 475 I CB 0.069 38.011 38.000 -0.096 0.000 1.079 475 I HN 0.048 nan 8.210 nan 0.000 0.425 476 T N 0.614 115.256 114.554 0.146 0.000 2.788 476 T HA -0.184 4.172 4.350 0.009 0.000 0.268 476 T C 1.831 176.678 174.700 0.244 0.000 1.044 476 T CA 1.279 63.486 62.100 0.178 0.000 1.139 476 T CB -0.084 68.842 68.868 0.098 0.000 0.867 476 T HN 0.336 nan 8.240 nan 0.000 0.454 477 K N 0.526 121.060 120.400 0.223 0.000 2.026 477 K HA -0.039 4.286 4.320 0.009 0.000 0.208 477 K C 2.299 178.990 176.600 0.151 0.000 1.048 477 K CA 1.033 57.444 56.287 0.207 0.000 0.929 477 K CB -0.344 32.325 32.500 0.280 0.000 0.713 477 K HN 0.146 nan 8.250 nan 0.000 0.439 478 V N 0.998 121.023 119.914 0.185 0.000 2.453 478 V HA -0.200 3.925 4.120 0.009 0.000 0.247 478 V C 1.919 178.075 176.094 0.104 0.000 1.048 478 V CA 1.386 63.728 62.300 0.070 0.000 1.049 478 V CB -0.535 31.366 31.823 0.131 0.000 0.672 478 V HN 0.226 nan 8.190 nan 0.000 0.457 479 F N 2.337 122.327 119.950 0.066 0.000 2.091 479 F HA -0.235 4.297 4.527 0.009 0.000 0.299 479 F C 2.286 178.092 175.800 0.009 0.000 1.103 479 F CA 2.108 60.129 58.000 0.035 0.000 1.228 479 F CB -0.496 38.521 39.000 0.028 0.000 0.984 479 F HN 0.178 nan 8.300 nan 0.000 0.477 480 N N 0.566 119.195 118.700 -0.119 0.000 2.104 480 N HA -0.200 4.545 4.740 0.009 0.000 0.190 480 N C 1.839 177.199 175.510 -0.250 0.000 1.024 480 N CA 1.734 54.646 53.050 -0.230 0.000 0.853 480 N CB -0.620 37.858 38.487 -0.015 0.000 1.008 480 N HN 0.555 nan 8.380 nan 0.000 0.424 481 Q N 0.198 119.908 119.800 -0.149 0.000 2.084 481 Q HA -0.080 4.266 4.340 0.009 0.000 0.202 481 Q C 2.167 178.109 176.000 -0.097 0.000 0.978 481 Q CA 0.919 56.656 55.803 -0.110 0.000 0.844 481 Q CB -0.068 28.623 28.738 -0.079 0.000 0.898 481 Q HN 0.255 nan 8.270 nan 0.000 0.426 482 R N 1.602 122.011 120.500 -0.151 0.000 2.081 482 R HA -0.167 4.179 4.340 0.009 0.000 0.235 482 R C 2.003 178.158 176.300 -0.243 0.000 1.131 482 R CA 1.632 57.646 56.100 -0.143 0.000 0.960 482 R CB -0.177 30.045 30.300 -0.131 0.000 0.856 482 R HN 0.127 nan 8.270 nan 0.000 0.436 483 K N 0.628 120.759 120.400 -0.448 0.000 2.097 483 K HA -0.190 4.136 4.320 0.009 0.000 0.206 483 K C 2.016 178.387 176.600 -0.382 0.000 1.049 483 K CA 1.752 57.769 56.287 -0.450 0.000 0.933 483 K CB -0.117 32.013 32.500 -0.618 0.000 0.717 483 K HN 0.271 nan 8.250 nan 0.000 0.442 484 E N -0.208 119.740 120.200 -0.420 0.000 2.051 484 E HA -0.232 4.123 4.350 0.009 0.000 0.192 484 E C 1.868 177.935 176.600 -0.889 0.000 0.991 484 E CA 1.193 57.224 56.400 -0.615 0.000 0.799 484 E CB -0.007 29.355 29.700 -0.565 0.000 0.748 484 E HN 0.477 nan 8.360 nan 0.000 0.449 485 H N 0.129 118.924 119.070 -0.458 0.000 2.423 485 H HA -0.052 4.510 4.556 0.010 0.000 0.297 485 H C 2.132 177.310 175.328 -0.250 0.000 1.075 485 H CA 1.299 57.166 56.048 -0.301 0.000 1.342 485 H CB 0.011 29.703 29.762 -0.117 0.000 1.395 485 H HN 0.161 nan 8.280 nan 0.000 0.530 486 K N 0.750 121.064 120.400 -0.144 0.000 2.097 486 K HA -0.102 4.224 4.320 0.009 0.000 0.206 486 K C 2.399 178.900 176.600 -0.166 0.000 1.049 486 K CA 1.125 57.335 56.287 -0.129 0.000 0.933 486 K CB -0.187 32.237 32.500 -0.126 0.000 0.717 486 K HN 0.234 nan 8.250 nan 0.000 0.442 487 G N 0.201 108.832 108.800 -0.281 0.000 2.446 487 G HA2 -0.258 3.708 3.960 0.009 0.000 0.217 487 G HA3 -0.258 3.708 3.960 0.009 0.000 0.217 487 G C 1.090 175.867 174.900 -0.206 0.000 1.168 487 G CA 0.995 45.930 45.100 -0.275 0.000 0.771 487 G HN 0.275 nan 8.290 nan 0.000 0.551 488 Y N -0.034 120.135 120.300 -0.218 0.000 2.181 488 Y HA -0.016 4.540 4.550 0.009 0.000 0.288 488 Y C 2.833 178.629 175.900 -0.174 0.000 1.146 488 Y CA 0.750 58.691 58.100 -0.265 0.000 1.164 488 Y CB -0.890 37.424 38.460 -0.243 0.000 0.982 488 Y HN 0.160 nan 8.280 nan 0.000 0.515 489 M N -0.565 119.050 119.600 0.025 0.000 2.080 489 M HA -0.215 4.271 4.480 0.009 0.000 0.260 489 M C 1.883 178.157 176.300 -0.043 0.000 1.068 489 M CA 1.851 57.144 55.300 -0.012 0.000 1.109 489 M CB -0.369 32.220 32.600 -0.019 0.000 1.342 489 M HN 0.315 nan 8.290 nan 0.000 0.405 490 L N -0.184 121.002 121.223 -0.061 0.000 2.109 490 L HA -0.108 4.238 4.340 0.009 0.000 0.207 490 L C 2.750 179.570 176.870 -0.082 0.000 1.086 490 L CA 0.926 55.724 54.840 -0.069 0.000 0.760 490 L CB -0.916 41.099 42.059 -0.074 0.000 0.910 490 L HN 0.371 nan 8.230 nan 0.000 0.437 491 A N 0.297 123.064 122.820 -0.089 0.000 1.908 491 A HA -0.207 4.118 4.320 0.009 0.000 0.218 491 A C 2.543 180.041 177.584 -0.143 0.000 1.181 491 A CA 1.838 53.807 52.037 -0.113 0.000 0.627 491 A CB -0.733 18.198 19.000 -0.114 0.000 0.818 491 A HN 0.392 nan 8.150 nan 0.000 0.445 492 A N -0.980 121.777 122.820 -0.104 0.000 1.933 492 A HA -0.225 4.100 4.320 0.009 0.000 0.218 492 A C 2.193 179.718 177.584 -0.098 0.000 1.175 492 A CA 1.847 53.831 52.037 -0.089 0.000 0.628 492 A CB -0.567 18.397 19.000 -0.060 0.000 0.814 492 A HN 0.681 nan 8.150 nan 0.000 0.444 493 Q N -0.500 119.252 119.800 -0.079 0.000 2.050 493 Q HA -0.190 4.156 4.340 0.009 0.000 0.202 493 Q C 2.342 178.304 176.000 -0.063 0.000 0.980 493 Q CA 1.624 57.395 55.803 -0.053 0.000 0.840 493 Q CB -0.107 28.610 28.738 -0.035 0.000 0.898 493 Q HN 0.679 nan 8.270 nan 0.000 0.424 494 R N 0.044 120.485 120.500 -0.098 0.000 2.081 494 R HA -0.085 4.260 4.340 0.009 0.000 0.235 494 R C 2.029 178.247 176.300 -0.137 0.000 1.131 494 R CA 1.315 57.351 56.100 -0.107 0.000 0.960 494 R CB -0.284 29.950 30.300 -0.111 0.000 0.856 494 R HN 0.330 nan 8.270 nan 0.000 0.436 495 N N 0.271 118.814 118.700 -0.261 0.000 2.223 495 N HA -0.110 4.635 4.740 0.009 0.000 0.185 495 N C 1.804 177.253 175.510 -0.103 0.000 1.016 495 N CA 1.494 54.261 53.050 -0.471 0.000 0.863 495 N CB -0.544 37.371 38.487 -0.952 0.000 0.983 495 N HN 0.349 nan 8.380 nan 0.000 0.429 496 G N 1.353 110.122 108.800 -0.051 0.000 2.418 496 G HA2 -0.198 3.768 3.960 0.009 0.000 0.217 496 G HA3 -0.198 3.768 3.960 0.009 0.000 0.217 496 G C 1.437 176.360 174.900 0.039 0.000 1.158 496 G CA 0.486 45.594 45.100 0.014 0.000 0.771 496 G HN 0.229 nan 8.290 nan 0.000 0.545 497 E N 0.492 120.710 120.200 0.029 0.000 2.150 497 E HA -0.019 4.337 4.350 0.009 0.000 0.193 497 E C 2.569 179.200 176.600 0.052 0.000 0.985 497 E CA 0.279 56.710 56.400 0.051 0.000 0.814 497 E CB -0.179 29.553 29.700 0.054 0.000 0.752 497 E HN 0.527 nan 8.360 nan 0.000 0.466 498 I N 0.808 121.419 120.570 0.067 0.000 2.226 498 I HA -0.271 3.905 4.170 0.009 0.000 0.245 498 I C 2.353 178.540 176.117 0.117 0.000 1.100 498 I CA 1.031 62.398 61.300 0.113 0.000 1.374 498 I CB -0.256 37.862 38.000 0.197 0.000 1.057 498 I HN 0.033 nan 8.210 nan 0.000 0.413 499 I N 0.499 121.156 120.570 0.146 0.000 2.252 499 I HA -0.265 3.910 4.170 0.009 0.000 0.245 499 I C 2.467 178.593 176.117 0.015 0.000 1.102 499 I CA 1.371 62.740 61.300 0.115 0.000 1.385 499 I CB -0.361 37.740 38.000 0.168 0.000 1.064 499 I HN 0.123 nan 8.210 nan 0.000 0.414 500 K N 0.505 120.898 120.400 -0.012 0.000 2.063 500 K HA -0.184 4.141 4.320 0.009 0.000 0.208 500 K C 2.074 178.497 176.600 -0.295 0.000 1.048 500 K CA 1.213 57.438 56.287 -0.104 0.000 0.928 500 K CB -0.128 32.343 32.500 -0.048 0.000 0.713 500 K HN 0.272 nan 8.250 nan 0.000 0.442 501 E N 0.575 120.669 120.200 -0.178 0.000 2.058 501 E HA -0.188 4.168 4.350 0.009 0.000 0.194 501 E C 2.075 178.570 176.600 -0.176 0.000 0.997 501 E CA 1.326 57.616 56.400 -0.183 0.000 0.801 501 E CB -0.195 29.521 29.700 0.027 0.000 0.746 501 E HN 0.325 nan 8.360 nan 0.000 0.450 502 A N 1.046 123.824 122.820 -0.071 0.000 1.969 502 A HA -0.097 4.229 4.320 0.009 0.000 0.218 502 A C 2.286 179.849 177.584 -0.035 0.000 1.169 502 A CA 0.758 52.786 52.037 -0.016 0.000 0.635 502 A CB -0.620 18.390 19.000 0.017 0.000 0.810 502 A HN 0.170 nan 8.150 nan 0.000 0.445 503 L N -0.616 120.546 121.223 -0.103 0.000 2.450 503 L HA -0.156 4.189 4.340 0.009 0.000 0.224 503 L C 2.154 179.012 176.870 -0.020 0.000 1.149 503 L CA 0.492 55.290 54.840 -0.069 0.000 0.816 503 L CB -0.480 41.532 42.059 -0.079 0.000 0.932 503 L HN 0.445 nan 8.230 nan 0.000 0.449 504 H N -0.418 118.676 119.070 0.040 0.000 2.428 504 H HA 0.068 4.629 4.556 0.009 0.000 0.296 504 H C 0.522 175.869 175.328 0.031 0.000 1.062 504 H CA 0.752 56.821 56.048 0.036 0.000 1.350 504 H CB 0.045 29.831 29.762 0.040 0.000 1.403 504 H HN 0.291 nan 8.280 nan 0.000 0.533 505 N N 1.543 120.326 118.700 0.138 0.000 2.813 505 N HA 0.155 4.901 4.740 0.009 0.000 0.282 505 N C -2.701 172.841 175.510 0.054 0.000 1.748 505 N CA -1.101 52.001 53.050 0.086 0.000 0.860 505 N CB 1.640 40.174 38.487 0.079 0.000 1.204 505 N HN 0.213 nan 8.380 nan 0.000 0.490 506 P HA 0.237 nan 4.420 nan 0.000 0.279 506 P C -0.437 176.878 177.300 0.026 0.000 1.239 506 P CA -0.333 62.786 63.100 0.031 0.000 0.789 506 P CB 0.989 32.706 31.700 0.028 0.000 0.933 507 N N 1.485 120.197 118.700 0.019 0.000 2.529 507 N HA 0.220 4.966 4.740 0.009 0.000 0.278 507 N C -0.144 175.374 175.510 0.013 0.000 1.146 507 N CA -0.308 52.751 53.050 0.016 0.000 0.980 507 N CB 0.120 38.614 38.487 0.012 0.000 1.124 507 N HN 0.340 nan 8.380 nan 0.000 0.458 508 L N 1.966 123.196 121.223 0.012 0.000 2.404 508 L HA 0.264 4.609 4.340 0.009 0.000 0.277 508 L C -0.044 176.830 176.870 0.007 0.000 1.184 508 L CA -0.139 54.707 54.840 0.010 0.000 1.013 508 L CB -1.002 41.063 42.059 0.010 0.000 1.318 508 L HN 0.681 nan 8.230 nan 0.000 0.435 509 S N 1.094 116.798 115.700 0.006 0.000 2.587 509 S HA 0.620 5.096 4.470 0.009 0.000 0.269 509 S C -0.918 173.685 174.600 0.004 0.000 1.154 509 S CA -0.946 57.256 58.200 0.004 0.000 0.824 509 S CB 1.957 65.159 63.200 0.004 0.000 1.118 509 S HN -0.052 nan 8.310 nan 0.000 0.462 510 V N 2.744 122.659 119.914 0.002 0.000 2.347 510 V HA 0.656 4.782 4.120 0.009 0.000 0.280 510 V C -0.848 175.247 176.094 0.001 0.000 1.021 510 V CA -0.157 62.144 62.300 0.002 0.000 0.847 510 V CB 0.475 32.299 31.823 0.001 0.000 0.990 510 V HN 1.072 nan 8.190 nan 0.000 0.444 511 D N 3.576 123.977 120.400 0.002 0.000 2.812 511 D HA 0.591 5.236 4.640 0.009 0.000 0.318 511 D C -0.900 175.402 176.300 0.004 0.000 1.234 511 D CA -0.816 53.184 54.000 0.001 0.000 0.989 511 D CB 1.159 41.958 40.800 -0.001 0.000 1.442 511 D HN 0.234 nan 8.370 nan 0.000 0.537 512 E N -0.290 119.911 120.200 0.003 0.000 2.277 512 E HA 0.432 4.788 4.350 0.009 0.000 0.266 512 E C -2.361 174.245 176.600 0.010 0.000 0.901 512 E CA -1.929 54.476 56.400 0.008 0.000 0.782 512 E CB 1.691 31.396 29.700 0.007 0.000 1.228 512 E HN 0.321 nan 8.360 nan 0.000 0.424 513 P HA 0.090 nan 4.420 nan 0.000 0.268 513 P C -0.170 177.141 177.300 0.019 0.000 1.205 513 P CA -0.485 62.638 63.100 0.039 0.000 0.771 513 P CB 0.556 32.303 31.700 0.080 0.000 0.858 514 L N 2.890 124.105 121.223 -0.014 0.000 2.456 514 L HA 0.080 4.425 4.340 0.009 0.000 0.272 514 L C 0.932 177.768 176.870 -0.057 0.000 1.189 514 L CA 0.670 55.470 54.840 -0.067 0.000 0.846 514 L CB -0.627 41.337 42.059 -0.159 0.000 1.111 514 L HN 0.355 nan 8.230 nan 0.000 0.475 515 D N 2.754 123.119 120.400 -0.059 0.000 2.374 515 D HA 0.398 5.044 4.640 0.009 0.000 0.240 515 D C -0.753 175.482 176.300 -0.109 0.000 1.229 515 D CA -0.029 53.943 54.000 -0.046 0.000 0.895 515 D CB 0.336 41.124 40.800 -0.020 0.000 1.046 515 D HN 0.250 nan 8.370 nan 0.000 0.498 516 V N 0.835 120.638 119.914 -0.185 0.000 3.078 516 V HA 0.553 4.679 4.120 0.009 0.000 0.311 516 V C -0.488 175.454 176.094 -0.253 0.000 1.138 516 V CA -1.141 61.002 62.300 -0.262 0.000 1.007 516 V CB 2.070 33.635 31.823 -0.431 0.000 1.045 516 V HN 0.237 nan 8.190 nan 0.000 0.432 517 D N 0.781 121.127 120.400 -0.090 0.000 2.396 517 D HA 0.354 5.000 4.640 0.009 0.000 0.225 517 D C 0.246 176.590 176.300 0.072 0.000 1.121 517 D CA -0.162 53.864 54.000 0.042 0.000 0.853 517 D CB 0.847 41.758 40.800 0.183 0.000 1.043 517 D HN 0.597 nan 8.370 nan 0.000 0.500 518 Y N 2.234 122.616 120.300 0.138 0.000 2.616 518 Y HA 0.002 4.558 4.550 0.010 0.000 0.296 518 Y C 2.073 177.913 175.900 -0.101 0.000 1.154 518 Y CA 0.431 58.565 58.100 0.057 0.000 1.325 518 Y CB 0.117 38.593 38.460 0.027 0.000 1.007 518 Y HN 0.280 nan 8.280 nan 0.000 0.542 519 R N -0.663 119.804 120.500 -0.056 0.000 2.307 519 R HA 0.038 4.384 4.340 0.009 0.000 0.199 519 R C -0.779 175.163 176.300 -0.597 0.000 1.000 519 R CA 0.427 56.300 56.100 -0.378 0.000 1.023 519 R CB -0.044 29.785 30.300 -0.786 0.000 0.908 519 R HN 0.116 nan 8.270 nan 0.000 0.473 520 F N 0.473 120.422 119.950 -0.001 0.000 2.540 520 F HA 0.222 4.755 4.527 0.010 0.000 0.317 520 F C 0.220 175.994 175.800 -0.043 0.000 1.104 520 F CA -1.552 56.451 58.000 0.006 0.000 0.913 520 F CB 1.151 40.161 39.000 0.018 0.000 1.170 520 F HN -0.224 nan 8.300 nan 0.000 0.450 521 D N 2.445 122.913 120.400 0.113 0.000 2.533 521 D HA -0.062 4.583 4.640 0.009 0.000 0.236 521 D C -0.108 176.269 176.300 0.127 0.000 1.137 521 D CA 0.730 54.734 54.000 0.006 0.000 0.867 521 D CB 0.479 41.297 40.800 0.030 0.000 1.170 521 D HN 0.075 nan 8.370 nan 0.000 0.474 522 F N 1.363 121.342 119.950 0.048 0.000 2.578 522 F HA -0.035 4.498 4.527 0.009 0.000 0.376 522 F C 1.619 177.428 175.800 0.015 0.000 1.085 522 F CA -0.891 57.120 58.000 0.019 0.000 1.260 522 F CB -0.090 38.918 39.000 0.013 0.000 1.095 522 F HN 0.067 nan 8.300 nan 0.000 0.573 523 S N 1.717 117.536 115.700 0.199 0.000 2.600 523 S HA 0.085 4.561 4.470 0.009 0.000 0.265 523 S C 0.925 175.568 174.600 0.071 0.000 1.325 523 S CA -0.748 57.508 58.200 0.094 0.000 1.002 523 S CB 0.813 64.038 63.200 0.041 0.000 0.921 523 S HN 0.556 nan 8.310 nan 0.000 0.554 524 D N 0.693 121.120 120.400 0.045 0.000 2.158 524 D HA -0.158 4.487 4.640 0.009 0.000 0.197 524 D C 1.695 178.000 176.300 0.009 0.000 0.995 524 D CA 1.650 55.669 54.000 0.031 0.000 0.846 524 D CB -0.311 40.502 40.800 0.022 0.000 0.941 524 D HN 0.864 nan 8.370 nan 0.000 0.456 525 E N 0.198 120.394 120.200 -0.006 0.000 2.072 525 E HA -0.129 4.227 4.350 0.009 0.000 0.191 525 E C 2.308 178.874 176.600 -0.056 0.000 0.985 525 E CA 0.475 56.859 56.400 -0.027 0.000 0.801 525 E CB -0.021 29.661 29.700 -0.031 0.000 0.750 525 E HN 0.242 nan 8.360 nan 0.000 0.452 526 I N 0.852 121.375 120.570 -0.079 0.000 2.252 526 I HA -0.257 3.919 4.170 0.009 0.000 0.245 526 I C 2.494 178.512 176.117 -0.165 0.000 1.102 526 I CA 1.068 62.257 61.300 -0.184 0.000 1.385 526 I CB -0.134 37.680 38.000 -0.311 0.000 1.064 526 I HN 0.021 nan 8.210 nan 0.000 0.414 527 K N 0.398 120.765 120.400 -0.055 0.000 2.103 527 K HA -0.184 4.141 4.320 0.009 0.000 0.207 527 K C 2.053 178.647 176.600 -0.011 0.000 1.048 527 K CA 1.173 57.462 56.287 0.003 0.000 0.930 527 K CB -0.050 32.489 32.500 0.065 0.000 0.716 527 K HN 0.262 nan 8.250 nan 0.000 0.444 528 E N 0.884 121.074 120.200 -0.017 0.000 2.072 528 E HA -0.150 4.206 4.350 0.009 0.000 0.191 528 E C 1.812 178.397 176.600 -0.026 0.000 0.985 528 E CA 1.173 57.565 56.400 -0.014 0.000 0.801 528 E CB 0.030 29.723 29.700 -0.012 0.000 0.750 528 E HN 0.302 nan 8.360 nan 0.000 0.452 529 K N 0.469 120.840 120.400 -0.049 0.000 2.097 529 K HA -0.019 4.307 4.320 0.009 0.000 0.205 529 K C 2.327 178.896 176.600 -0.053 0.000 1.050 529 K CA 0.717 56.971 56.287 -0.055 0.000 0.938 529 K CB -0.126 32.327 32.500 -0.079 0.000 0.718 529 K HN 0.079 nan 8.250 nan 0.000 0.442 530 I N 1.611 122.139 120.570 -0.070 0.000 2.264 530 I HA -0.288 3.888 4.170 0.009 0.000 0.248 530 I C 1.893 178.003 176.117 -0.011 0.000 1.111 530 I CA 1.366 62.636 61.300 -0.050 0.000 1.382 530 I CB -0.127 37.839 38.000 -0.058 0.000 1.060 530 I HN 0.112 nan 8.210 nan 0.000 0.418 531 K N 0.611 121.010 120.400 -0.003 0.000 2.515 531 K HA -0.118 4.207 4.320 0.009 0.000 0.196 531 K C 1.408 178.012 176.600 0.008 0.000 1.038 531 K CA 0.803 57.097 56.287 0.011 0.000 0.967 531 K CB 0.021 32.531 32.500 0.017 0.000 0.780 531 K HN 0.350 nan 8.250 nan 0.000 0.483 532 K N 0.133 120.532 120.400 -0.002 0.000 2.358 532 K HA 0.194 4.519 4.320 0.009 0.000 0.200 532 K C 0.144 176.743 176.600 -0.001 0.000 1.030 532 K CA -0.130 56.156 56.287 -0.001 0.000 1.097 532 K CB 0.565 33.061 32.500 -0.007 0.000 0.862 532 K HN -0.002 nan 8.250 nan 0.000 0.534 533 L N 1.677 122.899 121.223 -0.002 0.000 2.399 533 L HA 0.152 4.498 4.340 0.009 0.000 0.266 533 L C 0.829 177.703 176.870 0.008 0.000 1.114 533 L CA -0.545 54.295 54.840 0.000 0.000 0.804 533 L CB 1.235 43.293 42.059 -0.003 0.000 1.146 533 L HN 0.087 nan 8.230 nan 0.000 0.451 534 S N 0.967 116.672 115.700 0.008 0.000 2.600 534 S HA 0.248 4.724 4.470 0.009 0.000 0.265 534 S C 1.031 175.640 174.600 0.014 0.000 1.325 534 S CA -0.116 58.091 58.200 0.011 0.000 1.002 534 S CB 1.414 64.619 63.200 0.009 0.000 0.921 534 S HN 0.699 nan 8.310 nan 0.000 0.554 535 A N 1.299 124.128 122.820 0.015 0.000 1.972 535 A HA -0.073 4.252 4.320 0.009 0.000 0.219 535 A C 2.171 179.763 177.584 0.014 0.000 1.169 535 A CA 1.726 53.773 52.037 0.016 0.000 0.635 535 A CB -0.867 18.142 19.000 0.016 0.000 0.810 535 A HN 0.969 nan 8.150 nan 0.000 0.446 536 K N -0.209 120.197 120.400 0.010 0.000 2.002 536 K HA -0.111 4.215 4.320 0.009 0.000 0.209 536 K C 2.199 178.808 176.600 0.015 0.000 1.048 536 K CA 1.717 58.008 56.287 0.006 0.000 0.930 536 K CB -0.240 32.261 32.500 0.002 0.000 0.714 536 K HN 0.382 nan 8.250 nan 0.000 0.438 537 S N 1.124 116.835 115.700 0.019 0.000 2.368 537 S HA -0.078 4.398 4.470 0.009 0.000 0.225 537 S C 1.864 176.491 174.600 0.045 0.000 1.030 537 S CA 1.150 59.368 58.200 0.029 0.000 0.999 537 S CB -0.220 62.993 63.200 0.020 0.000 0.844 537 S HN 0.244 nan 8.310 nan 0.000 0.459 538 L N 1.369 122.615 121.223 0.038 0.000 2.046 538 L HA -0.143 4.202 4.340 0.009 0.000 0.208 538 L C 2.080 178.987 176.870 0.061 0.000 1.077 538 L CA 1.254 56.124 54.840 0.050 0.000 0.747 538 L CB -0.678 41.401 42.059 0.033 0.000 0.896 538 L HN 0.336 nan 8.230 nan 0.000 0.432 539 N N -0.461 118.266 118.700 0.045 0.000 2.166 539 N HA -0.193 4.552 4.740 0.009 0.000 0.186 539 N C 1.719 177.274 175.510 0.075 0.000 1.019 539 N CA 1.003 54.081 53.050 0.047 0.000 0.856 539 N CB 0.038 38.537 38.487 0.020 0.000 0.993 539 N HN 0.353 nan 8.380 nan 0.000 0.426 540 E N 0.362 120.603 120.200 0.069 0.000 2.072 540 E HA -0.122 4.234 4.350 0.009 0.000 0.191 540 E C 1.854 178.546 176.600 0.153 0.000 0.985 540 E CA 0.942 57.402 56.400 0.099 0.000 0.801 540 E CB 0.041 29.781 29.700 0.067 0.000 0.750 540 E HN 0.393 nan 8.360 nan 0.000 0.452 541 M N 0.112 119.799 119.600 0.146 0.000 2.175 541 M HA -0.133 4.352 4.480 0.009 0.000 0.264 541 M C 2.302 178.664 176.300 0.102 0.000 1.063 541 M CA 0.783 56.206 55.300 0.205 0.000 1.119 541 M CB -0.120 32.629 32.600 0.248 0.000 1.377 541 M HN 0.153 nan 8.290 nan 0.000 0.415 542 L N 0.122 121.402 121.223 0.095 0.000 2.017 542 L HA -0.159 4.186 4.340 0.009 0.000 0.208 542 L C 2.195 179.059 176.870 -0.010 0.000 1.073 542 L CA 1.814 56.681 54.840 0.044 0.000 0.745 542 L CB -0.903 41.190 42.059 0.056 0.000 0.894 542 L HN 0.209 nan 8.230 nan 0.000 0.432 543 F N 0.448 120.344 119.950 -0.090 0.000 2.126 543 F HA -0.228 4.304 4.527 0.009 0.000 0.299 543 F C 2.514 178.209 175.800 -0.174 0.000 1.096 543 F CA 1.775 59.711 58.000 -0.108 0.000 1.255 543 F CB -0.240 38.716 39.000 -0.074 0.000 0.997 543 F HN 0.026 nan 8.300 nan 0.000 0.479 544 R N 0.127 120.479 120.500 -0.247 0.000 2.092 544 R HA -0.058 4.288 4.340 0.009 0.000 0.231 544 R C 2.507 178.297 176.300 -0.850 0.000 1.119 544 R CA 1.087 56.888 56.100 -0.499 0.000 0.970 544 R CB -0.823 29.294 30.300 -0.305 0.000 0.864 544 R HN 0.395 nan 8.270 nan 0.000 0.440 545 A N 1.198 123.459 122.820 -0.933 0.000 1.902 545 A HA -0.231 4.094 4.320 0.009 0.000 0.217 545 A C 2.040 179.398 177.584 -0.377 0.000 1.181 545 A CA 1.322 52.938 52.037 -0.701 0.000 0.623 545 A CB -0.396 18.444 19.000 -0.267 0.000 0.818 545 A HN 0.320 nan 8.150 nan 0.000 0.443 546 Q N -1.178 118.420 119.800 -0.336 0.000 2.167 546 Q HA -0.104 4.242 4.340 0.009 0.000 0.202 546 Q C 2.339 178.145 176.000 -0.323 0.000 0.970 546 Q CA 0.903 56.544 55.803 -0.269 0.000 0.855 546 Q CB -0.093 28.512 28.738 -0.222 0.000 0.911 546 Q HN 0.405 nan 8.270 nan 0.000 0.438 547 R N -0.121 120.092 120.500 -0.479 0.000 2.075 547 R HA -0.053 4.292 4.340 0.009 0.000 0.232 547 R C 2.205 178.349 176.300 -0.260 0.000 1.126 547 R CA 1.428 57.275 56.100 -0.423 0.000 0.963 547 R CB -0.949 29.018 30.300 -0.554 0.000 0.858 547 R HN 0.283 nan 8.270 nan 0.000 0.435 548 T N 1.019 115.423 114.554 -0.251 0.000 2.708 548 T HA -0.167 4.189 4.350 0.009 0.000 0.266 548 T C 1.719 176.358 174.700 -0.103 0.000 1.037 548 T CA 1.468 63.485 62.100 -0.139 0.000 1.146 548 T CB -0.118 68.701 68.868 -0.082 0.000 0.865 548 T HN 0.410 nan 8.240 nan 0.000 0.435 549 E N 0.466 120.594 120.200 -0.121 0.000 2.058 549 E HA -0.146 4.210 4.350 0.009 0.000 0.194 549 E C 2.242 178.802 176.600 -0.067 0.000 0.997 549 E CA 1.137 57.488 56.400 -0.082 0.000 0.801 549 E CB -0.107 29.542 29.700 -0.086 0.000 0.746 549 E HN 0.265 nan 8.360 nan 0.000 0.450 550 V N 1.266 121.124 119.914 -0.093 0.000 2.287 550 V HA -0.299 3.826 4.120 0.009 0.000 0.248 550 V C 2.482 178.540 176.094 -0.059 0.000 1.053 550 V CA 1.882 64.139 62.300 -0.071 0.000 1.027 550 V CB -0.877 30.886 31.823 -0.099 0.000 0.646 550 V HN 0.443 nan 8.190 nan 0.000 0.447 551 A N 0.529 123.303 122.820 -0.077 0.000 1.883 551 A HA -0.143 4.183 4.320 0.009 0.000 0.217 551 A C 2.439 180.005 177.584 -0.029 0.000 1.186 551 A CA 2.130 54.130 52.037 -0.062 0.000 0.624 551 A CB -1.328 17.635 19.000 -0.062 0.000 0.822 551 A HN 0.542 nan 8.150 nan 0.000 0.444 552 G N -0.827 107.974 108.800 0.001 0.000 2.422 552 G HA2 -0.217 3.749 3.960 0.009 0.000 0.218 552 G HA3 -0.217 3.749 3.960 0.009 0.000 0.218 552 G C 1.530 176.434 174.900 0.006 0.000 1.146 552 G CA 1.594 46.724 45.100 0.051 0.000 0.769 552 G HN 0.486 nan 8.290 nan 0.000 0.547 553 M N 1.080 120.674 119.600 -0.009 0.000 2.086 553 M HA -0.016 4.470 4.480 0.009 0.000 0.261 553 M C 2.523 178.826 176.300 0.004 0.000 1.067 553 M CA 2.195 57.490 55.300 -0.010 0.000 1.116 553 M CB -0.933 31.668 32.600 0.002 0.000 1.348 553 M HN 0.111 nan 8.290 nan 0.000 0.407 554 T N 0.769 115.341 114.554 0.030 0.000 2.652 554 T HA -0.132 4.224 4.350 0.009 0.000 0.267 554 T C 1.799 176.473 174.700 -0.044 0.000 1.039 554 T CA 1.924 64.072 62.100 0.079 0.000 1.153 554 T CB -0.802 68.123 68.868 0.095 0.000 0.863 554 T HN 0.585 nan 8.240 nan 0.000 0.428 555 A N 1.555 124.290 122.820 -0.141 0.000 1.930 555 A HA -0.167 4.158 4.320 0.009 0.000 0.217 555 A C 2.268 179.703 177.584 -0.248 0.000 1.175 555 A CA 1.994 53.831 52.037 -0.334 0.000 0.627 555 A CB -0.576 18.014 19.000 -0.684 0.000 0.815 555 A HN 0.674 nan 8.150 nan 0.000 0.443 556 Q N -0.725 119.005 119.800 -0.115 0.000 2.089 556 Q HA 0.067 4.412 4.340 0.009 0.000 0.195 556 Q C 1.707 177.663 176.000 -0.074 0.000 0.963 556 Q CA 1.608 57.371 55.803 -0.067 0.000 0.834 556 Q CB -0.711 28.003 28.738 -0.040 0.000 0.906 556 Q HN 0.383 nan 8.270 nan 0.000 0.452 557 I N 1.117 121.638 120.570 -0.082 0.000 2.493 557 I HA -0.140 4.036 4.170 0.009 0.000 0.254 557 I C 1.187 177.272 176.117 -0.053 0.000 1.160 557 I CA 1.117 62.332 61.300 -0.142 0.000 1.445 557 I CB -0.179 37.663 38.000 -0.263 0.000 1.086 557 I HN 0.266 nan 8.210 nan 0.000 0.433 558 N N 0.004 118.718 118.700 0.023 0.000 2.415 558 N HA 0.004 4.750 4.740 0.009 0.000 0.176 558 N C 1.867 177.397 175.510 0.033 0.000 1.042 558 N CA 0.486 53.596 53.050 0.100 0.000 0.902 558 N CB -0.049 38.424 38.487 -0.024 0.000 0.986 558 N HN 0.379 nan 8.380 nan 0.000 0.447 559 R N 1.321 121.801 120.500 -0.032 0.000 2.073 559 R HA -0.021 4.325 4.340 0.009 0.000 0.229 559 R C 2.174 178.510 176.300 0.060 0.000 1.120 559 R CA 0.946 57.036 56.100 -0.017 0.000 0.967 559 R CB -0.054 30.208 30.300 -0.063 0.000 0.862 559 R HN 0.177 nan 8.270 nan 0.000 0.436 560 K N 1.035 121.460 120.400 0.041 0.000 2.063 560 K HA -0.199 4.127 4.320 0.009 0.000 0.208 560 K C 2.058 178.722 176.600 0.106 0.000 1.048 560 K CA 1.399 57.726 56.287 0.066 0.000 0.928 560 K CB -0.171 32.328 32.500 -0.003 0.000 0.713 560 K HN 0.056 nan 8.250 nan 0.000 0.442 561 L N 1.448 122.749 121.223 0.129 0.000 2.017 561 L HA -0.149 4.197 4.340 0.009 0.000 0.208 561 L C 2.208 179.211 176.870 0.222 0.000 1.073 561 L CA 1.413 56.382 54.840 0.214 0.000 0.745 561 L CB -0.687 41.590 42.059 0.362 0.000 0.894 561 L HN 0.322 nan 8.230 nan 0.000 0.432 562 L N 0.006 121.359 121.223 0.217 0.000 2.046 562 L HA -0.184 4.161 4.340 0.009 0.000 0.208 562 L C 2.400 179.585 176.870 0.525 0.000 1.077 562 L CA 2.292 57.306 54.840 0.289 0.000 0.747 562 L CB -0.666 41.463 42.059 0.116 0.000 0.896 562 L HN 0.519 nan 8.230 nan 0.000 0.432 563 I N -3.317 117.495 120.570 0.403 0.000 2.353 563 I HA -0.144 4.031 4.170 0.009 0.000 0.248 563 I C 1.958 178.176 176.117 0.169 0.000 1.119 563 I CA 1.365 62.881 61.300 0.359 0.000 1.417 563 I CB -0.859 37.312 38.000 0.286 0.000 1.078 563 I HN 0.191 nan 8.210 nan 0.000 0.421 564 N N 1.637 120.431 118.700 0.157 0.000 2.223 564 N HA -0.112 4.634 4.740 0.009 0.000 0.185 564 N C 1.994 177.570 175.510 0.110 0.000 1.016 564 N CA 1.603 54.719 53.050 0.111 0.000 0.863 564 N CB -0.362 38.170 38.487 0.075 0.000 0.983 564 N HN 0.398 nan 8.380 nan 0.000 0.429 565 S N 0.781 116.573 115.700 0.154 0.000 2.447 565 S HA -0.035 4.441 4.470 0.009 0.000 0.233 565 S C 1.789 176.387 174.600 -0.003 0.000 1.006 565 S CA 0.201 58.479 58.200 0.131 0.000 0.957 565 S CB -0.117 63.212 63.200 0.215 0.000 0.773 565 S HN 0.204 nan 8.310 nan 0.000 0.507 566 L N 2.183 123.320 121.223 -0.142 0.000 2.056 566 L HA 0.081 4.427 4.340 0.009 0.000 0.207 566 L C 2.340 179.013 176.870 -0.328 0.000 1.078 566 L CA 1.755 56.245 54.840 -0.582 0.000 0.749 566 L CB -1.192 40.160 42.059 -1.179 0.000 0.901 566 L HN 0.236 nan 8.230 nan 0.000 0.433 567 A N -0.615 122.115 122.820 -0.151 0.000 1.933 567 A HA -0.070 4.256 4.320 0.009 0.000 0.218 567 A C 2.316 179.911 177.584 0.018 0.000 1.175 567 A CA 1.559 53.567 52.037 -0.048 0.000 0.628 567 A CB -1.483 17.582 19.000 0.108 0.000 0.814 567 A HN 0.523 nan 8.150 nan 0.000 0.444 568 G N -0.745 108.089 108.800 0.056 0.000 2.403 568 G HA2 0.085 4.051 3.960 0.009 0.000 0.216 568 G HA3 0.085 4.051 3.960 0.009 0.000 0.216 568 G C 1.705 176.631 174.900 0.043 0.000 1.154 568 G CA 1.196 46.361 45.100 0.108 0.000 0.784 568 G HN 0.771 nan 8.290 nan 0.000 0.538 569 A N 0.781 123.525 122.820 -0.128 0.000 1.972 569 A HA 0.086 4.412 4.320 0.009 0.000 0.219 569 A C 2.335 179.864 177.584 -0.091 0.000 1.169 569 A CA 1.056 52.908 52.037 -0.307 0.000 0.635 569 A CB -0.397 18.029 19.000 -0.955 0.000 0.810 569 A HN 0.354 nan 8.150 nan 0.000 0.446 570 L N -0.896 120.311 121.223 -0.026 0.000 2.349 570 L HA -0.151 4.194 4.340 0.009 0.000 0.220 570 L C 2.140 178.994 176.870 -0.026 0.000 1.130 570 L CA 0.905 55.806 54.840 0.102 0.000 0.791 570 L CB -0.294 41.742 42.059 -0.038 0.000 0.918 570 L HN 0.510 nan 8.230 nan 0.000 0.444 571 G N -1.457 107.370 108.800 0.046 0.000 3.575 571 G HA2 -0.011 3.954 3.960 0.009 0.000 0.273 571 G HA3 -0.011 3.954 3.960 0.009 0.000 0.273 571 G C 0.068 175.208 174.900 0.400 0.000 1.053 571 G CA -0.269 44.880 45.100 0.081 0.000 0.803 571 G HN 0.135 nan 8.290 nan 0.000 0.528 572 N N 1.099 120.037 118.700 0.397 0.000 2.392 572 N HA 0.117 4.863 4.740 0.009 0.000 0.283 572 N C 1.638 177.176 175.510 0.046 0.000 1.003 572 N CA -0.353 52.841 53.050 0.239 0.000 0.892 572 N CB 2.404 41.021 38.487 0.217 0.000 1.193 572 N HN -0.033 nan 8.380 nan 0.000 0.487 573 V N 2.087 121.744 119.914 -0.428 0.000 2.688 573 V HA -0.104 4.022 4.120 0.009 0.000 0.256 573 V C 1.215 177.020 176.094 -0.482 0.000 1.084 573 V CA 1.101 62.865 62.300 -0.893 0.000 1.103 573 V CB -0.901 30.379 31.823 -0.905 0.000 0.688 573 V HN 0.665 nan 8.190 nan 0.000 0.480 574 W N -1.354 119.950 121.300 0.008 0.000 3.139 574 W HA 0.387 5.054 4.660 0.010 0.000 0.260 574 W C 0.955 177.584 176.519 0.183 0.000 1.312 574 W CA -0.806 56.581 57.345 0.071 0.000 1.606 574 W CB -0.126 29.364 29.460 0.051 0.000 1.118 574 W HN 0.162 nan 8.180 nan 0.000 0.675 575 F N 2.195 122.273 119.950 0.213 0.000 2.495 575 F HA 0.163 4.696 4.527 0.009 0.000 0.365 575 F C 1.871 177.738 175.800 0.111 0.000 1.090 575 F CA -1.084 57.032 58.000 0.192 0.000 1.235 575 F CB 0.727 39.863 39.000 0.227 0.000 1.119 575 F HN -0.194 nan 8.300 nan 0.000 0.562 576 R N 3.460 123.712 120.500 -0.413 0.000 2.127 576 R HA -0.198 4.148 4.340 0.009 0.000 0.238 576 R C 0.475 176.253 176.300 -0.869 0.000 1.134 576 R CA 1.827 57.519 56.100 -0.680 0.000 0.975 576 R CB -0.224 29.503 30.300 -0.955 0.000 0.865 576 R HN 0.737 nan 8.270 nan 0.000 0.447 577 Y N -1.390 118.439 120.300 -0.786 0.000 2.658 577 Y HA 0.099 4.655 4.550 0.010 0.000 0.276 577 Y C -0.414 175.453 175.900 -0.055 0.000 1.167 577 Y CA -0.962 56.887 58.100 -0.419 0.000 1.230 577 Y CB -0.199 37.970 38.460 -0.485 0.000 1.144 577 Y HN 0.026 nan 8.280 nan 0.000 0.529 578 Y N 2.697 123.004 120.300 0.011 0.000 2.805 578 Y HA 0.076 4.632 4.550 0.010 0.000 0.331 578 Y C -0.152 175.661 175.900 -0.145 0.000 1.241 578 Y CA 0.505 58.602 58.100 -0.005 0.000 1.546 578 Y CB 0.327 38.683 38.460 -0.173 0.000 1.248 578 Y HN 0.178 nan 8.280 nan 0.000 0.559 579 D N 6.505 126.457 120.400 -0.748 0.000 2.419 579 D HA 0.076 4.722 4.640 0.009 0.000 0.219 579 D C -0.023 175.862 176.300 -0.692 0.000 1.349 579 D CA -0.400 53.197 54.000 -0.671 0.000 0.964 579 D CB 0.763 41.405 40.800 -0.264 0.000 1.463 579 D HN 0.748 nan 8.370 nan 0.000 0.573 580 L N 2.670 123.419 121.223 -0.789 0.000 2.265 580 L HA -0.051 4.294 4.340 0.009 0.000 0.215 580 L C 2.393 179.038 176.870 -0.376 0.000 1.117 580 L CA 0.742 55.221 54.840 -0.601 0.000 0.782 580 L CB -0.033 41.760 42.059 -0.443 0.000 0.914 580 L HN 0.249 nan 8.230 nan 0.000 0.441 581 R N -0.103 120.226 120.500 -0.286 0.000 2.081 581 R HA -0.143 4.202 4.340 0.009 0.000 0.235 581 R C 2.031 178.246 176.300 -0.142 0.000 1.131 581 R CA 1.511 57.498 56.100 -0.189 0.000 0.960 581 R CB -0.338 29.860 30.300 -0.170 0.000 0.856 581 R HN 0.399 nan 8.270 nan 0.000 0.436 582 N N 0.561 119.170 118.700 -0.152 0.000 2.171 582 N HA -0.056 4.690 4.740 0.009 0.000 0.184 582 N C 1.662 177.060 175.510 -0.187 0.000 1.021 582 N CA 1.356 54.342 53.050 -0.107 0.000 0.854 582 N CB -0.392 38.040 38.487 -0.092 0.000 0.994 582 N HN 0.188 nan 8.380 nan 0.000 0.426 583 A N 0.598 123.246 122.820 -0.286 0.000 1.883 583 A HA -0.175 4.150 4.320 0.009 0.000 0.217 583 A C 2.337 179.792 177.584 -0.217 0.000 1.186 583 A CA 2.564 54.402 52.037 -0.331 0.000 0.624 583 A CB -1.275 17.312 19.000 -0.690 0.000 0.822 583 A HN 0.516 nan 8.150 nan 0.000 0.444 584 T N -2.573 111.857 114.554 -0.206 0.000 2.985 584 T HA 0.233 4.588 4.350 0.009 0.000 0.266 584 T C 1.884 176.557 174.700 -0.045 0.000 1.076 584 T CA 1.326 63.400 62.100 -0.044 0.000 1.135 584 T CB -0.423 68.428 68.868 -0.029 0.000 0.890 584 T HN 0.561 nan 8.240 nan 0.000 0.480 585 A N 1.748 124.526 122.820 -0.070 0.000 1.908 585 A HA 0.083 4.409 4.320 0.009 0.000 0.218 585 A C 2.318 179.860 177.584 -0.070 0.000 1.181 585 A CA 1.394 53.416 52.037 -0.025 0.000 0.627 585 A CB -0.813 18.214 19.000 0.046 0.000 0.818 585 A HN 0.599 nan 8.150 nan 0.000 0.445 586 I N -0.004 120.456 120.570 -0.185 0.000 2.133 586 I HA -0.229 3.947 4.170 0.009 0.000 0.238 586 I C 2.944 178.860 176.117 -0.335 0.000 1.074 586 I CA 1.893 62.993 61.300 -0.334 0.000 1.342 586 I CB -0.763 36.950 38.000 -0.479 0.000 1.053 586 I HN 0.536 nan 8.210 nan 0.000 0.404 587 T N -2.229 112.165 114.554 -0.266 0.000 2.821 587 T HA -0.142 4.214 4.350 0.009 0.000 0.267 587 T C 1.810 176.532 174.700 0.038 0.000 1.046 587 T CA 1.886 63.914 62.100 -0.120 0.000 1.139 587 T CB -0.899 68.014 68.868 0.075 0.000 0.871 587 T HN 0.232 nan 8.240 nan 0.000 0.454 588 T N 1.169 115.751 114.554 0.047 0.000 2.777 588 T HA 0.078 4.434 4.350 0.009 0.000 0.266 588 T C 1.344 176.086 174.700 0.071 0.000 1.040 588 T CA 1.023 63.163 62.100 0.067 0.000 1.141 588 T CB -0.622 68.273 68.868 0.045 0.000 0.868 588 T HN 0.384 nan 8.240 nan 0.000 0.444 589 F N 2.162 122.069 119.950 -0.071 0.000 2.126 589 F HA -0.008 4.525 4.527 0.009 0.000 0.299 589 F C 2.404 178.186 175.800 -0.030 0.000 1.096 589 F CA 1.296 59.248 58.000 -0.079 0.000 1.255 589 F CB -0.792 38.128 39.000 -0.132 0.000 0.997 589 F HN 0.182 nan 8.300 nan 0.000 0.479 590 G N -0.640 108.303 108.800 0.238 0.000 2.440 590 G HA2 -0.268 3.698 3.960 0.009 0.000 0.218 590 G HA3 -0.268 3.698 3.960 0.009 0.000 0.218 590 G C 1.514 176.525 174.900 0.186 0.000 1.154 590 G CA 0.817 46.064 45.100 0.245 0.000 0.767 590 G HN 0.432 nan 8.290 nan 0.000 0.552 591 Q N -0.711 119.181 119.800 0.154 0.000 2.084 591 Q HA -0.075 4.271 4.340 0.009 0.000 0.202 591 Q C 2.484 178.500 176.000 0.026 0.000 0.978 591 Q CA 1.382 57.266 55.803 0.135 0.000 0.844 591 Q CB -0.257 28.559 28.738 0.130 0.000 0.898 591 Q HN 0.589 nan 8.270 nan 0.000 0.426 592 M N 0.277 119.865 119.600 -0.021 0.000 2.086 592 M HA -0.179 4.307 4.480 0.009 0.000 0.261 592 M C 2.147 178.453 176.300 0.011 0.000 1.067 592 M CA 1.813 57.084 55.300 -0.048 0.000 1.116 592 M CB -0.168 32.323 32.600 -0.182 0.000 1.348 592 M HN 0.204 nan 8.290 nan 0.000 0.407 593 A N 0.557 123.350 122.820 -0.044 0.000 1.908 593 A HA -0.200 4.126 4.320 0.009 0.000 0.218 593 A C 2.012 179.790 177.584 0.324 0.000 1.181 593 A CA 1.788 53.913 52.037 0.148 0.000 0.627 593 A CB -1.087 17.990 19.000 0.129 0.000 0.818 593 A HN 0.605 nan 8.150 nan 0.000 0.445 594 L N -0.152 121.211 121.223 0.233 0.000 1.994 594 L HA -0.192 4.154 4.340 0.009 0.000 0.208 594 L C 2.458 179.419 176.870 0.152 0.000 1.071 594 L CA 2.488 57.466 54.840 0.230 0.000 0.745 594 L CB -0.892 41.317 42.059 0.251 0.000 0.892 594 L HN 0.526 nan 8.230 nan 0.000 0.431 595 Q N -1.630 118.200 119.800 0.049 0.000 2.230 595 Q HA -0.216 4.130 4.340 0.009 0.000 0.202 595 Q C 1.951 177.957 176.000 0.009 0.000 0.963 595 Q CA 1.373 57.142 55.803 -0.057 0.000 0.866 595 Q CB -0.450 28.119 28.738 -0.282 0.000 0.931 595 Q HN 0.720 nan 8.270 nan 0.000 0.452 596 W N 1.053 122.291 121.300 -0.103 0.000 2.354 596 W HA -0.183 4.482 4.660 0.009 0.000 0.315 596 W C 1.656 178.059 176.519 -0.193 0.000 1.206 596 W CA 1.010 58.279 57.345 -0.126 0.000 1.290 596 W CB -0.238 29.167 29.460 -0.092 0.000 1.152 596 W HN 0.149 nan 8.180 nan 0.000 0.489 597 I N 1.533 122.157 120.570 0.090 0.000 2.676 597 I HA -0.192 3.984 4.170 0.009 0.000 0.259 597 I C 2.510 178.547 176.117 -0.134 0.000 1.194 597 I CA 1.720 62.923 61.300 -0.162 0.000 1.473 597 I CB -0.736 37.072 38.000 -0.320 0.000 1.096 597 I HN 0.087 nan 8.210 nan 0.000 0.443 598 E N 0.589 120.758 120.200 -0.050 0.000 2.058 598 E HA -0.324 4.032 4.350 0.009 0.000 0.194 598 E C 2.465 179.010 176.600 -0.092 0.000 0.997 598 E CA 1.424 57.802 56.400 -0.037 0.000 0.801 598 E CB -0.219 29.489 29.700 0.012 0.000 0.746 598 E HN 0.430 nan 8.360 nan 0.000 0.450 599 R N 0.220 120.621 120.500 -0.165 0.000 2.081 599 R HA -0.132 4.214 4.340 0.009 0.000 0.235 599 R C 2.258 178.407 176.300 -0.250 0.000 1.131 599 R CA 1.474 57.442 56.100 -0.220 0.000 0.960 599 R CB 0.036 30.139 30.300 -0.329 0.000 0.856 599 R HN 0.001 nan 8.270 nan 0.000 0.436 600 K N 0.167 120.367 120.400 -0.333 0.000 2.057 600 K HA -0.081 4.245 4.320 0.009 0.000 0.207 600 K C 2.082 178.573 176.600 -0.182 0.000 1.049 600 K CA 1.138 57.248 56.287 -0.296 0.000 0.931 600 K CB -0.358 31.934 32.500 -0.348 0.000 0.714 600 K HN 0.122 nan 8.250 nan 0.000 0.440 601 V N 2.329 122.140 119.914 -0.172 0.000 2.358 601 V HA -0.215 3.910 4.120 0.009 0.000 0.246 601 V C 1.979 178.029 176.094 -0.073 0.000 1.047 601 V CA 1.561 63.785 62.300 -0.126 0.000 1.035 601 V CB -0.520 31.212 31.823 -0.152 0.000 0.658 601 V HN 0.279 nan 8.190 nan 0.000 0.452 602 N N 0.181 118.856 118.700 -0.040 0.000 2.149 602 N HA -0.175 4.571 4.740 0.009 0.000 0.188 602 N C 1.857 177.350 175.510 -0.027 0.000 1.019 602 N CA 1.492 54.559 53.050 0.028 0.000 0.857 602 N CB -0.212 38.313 38.487 0.062 0.000 0.997 602 N HN 0.597 nan 8.380 nan 0.000 0.426 603 E N -0.714 119.446 120.200 -0.067 0.000 2.072 603 E HA -0.178 4.177 4.350 0.009 0.000 0.191 603 E C 1.689 178.245 176.600 -0.074 0.000 0.985 603 E CA 0.691 57.047 56.400 -0.074 0.000 0.801 603 E CB -0.186 29.449 29.700 -0.108 0.000 0.750 603 E HN 0.461 nan 8.360 nan 0.000 0.452 604 Y N 1.252 121.437 120.300 -0.192 0.000 2.145 604 Y HA -0.208 4.348 4.550 0.009 0.000 0.286 604 Y C 1.964 177.722 175.900 -0.236 0.000 1.145 604 Y CA 1.391 59.374 58.100 -0.195 0.000 1.148 604 Y CB -0.012 38.323 38.460 -0.208 0.000 0.981 604 Y HN -0.055 nan 8.280 nan 0.000 0.507 605 L N 0.193 121.157 121.223 -0.432 0.000 2.109 605 L HA -0.206 4.139 4.340 0.009 0.000 0.207 605 L C 2.208 178.660 176.870 -0.697 0.000 1.086 605 L CA 0.912 55.262 54.840 -0.817 0.000 0.760 605 L CB -0.615 40.586 42.059 -1.429 0.000 0.910 605 L HN 0.316 nan 8.230 nan 0.000 0.437 606 N N 0.081 118.569 118.700 -0.354 0.000 2.149 606 N HA -0.244 4.501 4.740 0.009 0.000 0.188 606 N C 1.762 177.221 175.510 -0.085 0.000 1.019 606 N CA 1.382 54.423 53.050 -0.016 0.000 0.857 606 N CB 0.046 38.573 38.487 0.068 0.000 0.997 606 N HN 0.468 nan 8.380 nan 0.000 0.426 607 E N 0.710 120.802 120.200 -0.179 0.000 2.046 607 E HA -0.089 4.267 4.350 0.009 0.000 0.190 607 E C 1.906 178.386 176.600 -0.200 0.000 0.982 607 E CA 0.726 57.024 56.400 -0.172 0.000 0.800 607 E CB 0.191 29.780 29.700 -0.185 0.000 0.756 607 E HN -0.017 nan 8.360 nan 0.000 0.449 608 V N 0.564 120.275 119.914 -0.338 0.000 2.343 608 V HA -0.302 3.824 4.120 0.009 0.000 0.247 608 V C 2.347 178.374 176.094 -0.112 0.000 1.051 608 V CA 1.636 63.778 62.300 -0.265 0.000 1.036 608 V CB -0.309 31.295 31.823 -0.365 0.000 0.654 608 V HN 0.539 nan 8.190 nan 0.000 0.451 609 C N -0.001 119.252 119.300 -0.079 0.000 2.563 609 C HA 0.419 4.884 4.460 0.009 0.000 0.268 609 C C 1.889 176.895 174.990 0.027 0.000 1.365 609 C CA 0.247 59.283 59.018 0.030 0.000 1.754 609 C CB -0.927 26.921 27.740 0.180 0.000 1.932 609 C HN 0.863 nan 8.230 nan 0.000 0.536 610 G N 1.860 110.658 108.800 -0.003 0.000 2.182 610 G HA2 -0.194 3.772 3.960 0.009 0.000 0.248 610 G HA3 -0.194 3.772 3.960 0.009 0.000 0.248 610 G C 0.088 174.999 174.900 0.019 0.000 1.042 610 G CA 0.639 45.738 45.100 -0.002 0.000 0.775 610 G HN 0.627 nan 8.290 nan 0.000 0.501 611 T N -3.272 111.309 114.554 0.044 0.000 2.804 611 T HA 0.818 5.174 4.350 0.009 0.000 0.272 611 T C -0.408 174.321 174.700 0.047 0.000 0.986 611 T CA -0.153 61.980 62.100 0.055 0.000 0.999 611 T CB 2.955 71.879 68.868 0.093 0.000 1.307 611 T HN 0.522 nan 8.240 nan 0.000 0.586 612 E N -1.190 119.037 120.200 0.045 0.000 2.321 612 E HA 0.461 4.817 4.350 0.009 0.000 0.281 612 E C 0.353 176.974 176.600 0.035 0.000 0.910 612 E CA -0.218 56.202 56.400 0.032 0.000 0.770 612 E CB 1.070 30.777 29.700 0.010 0.000 1.225 612 E HN 1.238 nan 8.360 nan 0.000 0.417 613 G N 3.378 112.202 108.800 0.039 0.000 2.155 613 G HA2 -0.313 3.653 3.960 0.009 0.000 0.257 613 G HA3 -0.313 3.653 3.960 0.009 0.000 0.257 613 G C 0.105 175.027 174.900 0.036 0.000 0.983 613 G CA 0.793 45.912 45.100 0.031 0.000 0.676 613 G HN 0.526 nan 8.290 nan 0.000 0.528 614 E N 0.394 120.630 120.200 0.060 0.000 2.283 614 E HA 0.617 4.973 4.350 0.009 0.000 0.278 614 E C 0.537 177.157 176.600 0.033 0.000 1.027 614 E CA -0.145 56.255 56.400 -0.001 0.000 0.843 614 E CB 0.813 30.460 29.700 -0.089 0.000 1.062 614 E HN 0.598 nan 8.360 nan 0.000 0.401 615 A N 4.875 127.672 122.820 -0.038 0.000 2.343 615 A HA 0.237 4.562 4.320 0.009 0.000 0.305 615 A C -0.207 177.345 177.584 -0.053 0.000 1.308 615 A CA -0.269 51.779 52.037 0.019 0.000 0.949 615 A CB -0.294 18.715 19.000 0.016 0.000 1.148 615 A HN 0.748 nan 8.150 nan 0.000 0.545 616 F N 2.258 122.227 119.950 0.031 0.000 2.317 616 F HA 0.033 4.565 4.527 0.009 0.000 0.293 616 F C 1.132 176.957 175.800 0.041 0.000 1.085 616 F CA 0.557 58.588 58.000 0.050 0.000 1.390 616 F CB 0.218 39.254 39.000 0.062 0.000 1.077 616 F HN 0.284 nan 8.300 nan 0.000 0.517 617 V N 3.591 123.632 119.914 0.211 0.000 2.415 617 V HA -0.041 4.084 4.120 0.009 0.000 0.267 617 V C 0.877 176.985 176.094 0.022 0.000 1.042 617 V CA 0.030 62.396 62.300 0.110 0.000 1.000 617 V CB 0.547 32.424 31.823 0.090 0.000 1.015 617 V HN 0.265 nan 8.190 nan 0.000 0.478 618 L N 3.901 125.073 121.223 -0.086 0.000 2.463 618 L HA 0.527 4.873 4.340 0.009 0.000 0.219 618 L C 0.261 176.961 176.870 -0.283 0.000 1.088 618 L CA 0.628 55.306 54.840 -0.269 0.000 0.849 618 L CB -0.136 41.531 42.059 -0.653 0.000 1.012 618 L HN 0.508 nan 8.230 nan 0.000 0.468 619 Y N -0.588 119.505 120.300 -0.345 0.000 2.641 619 Y HA 0.657 5.213 4.550 0.009 0.000 0.333 619 Y C -0.855 175.068 175.900 0.038 0.000 1.174 619 Y CA -0.629 57.298 58.100 -0.289 0.000 1.057 619 Y CB 1.641 39.660 38.460 -0.735 0.000 1.322 619 Y HN 0.001 nan 8.280 nan 0.000 0.457 620 G N 2.800 111.133 108.800 -0.778 0.000 2.755 620 G HA2 0.438 4.403 3.960 0.009 0.000 0.297 620 G HA3 0.438 4.403 3.960 0.009 0.000 0.297 620 G C -2.727 171.767 174.900 -0.677 0.000 1.441 620 G CA -0.615 44.224 45.100 -0.435 0.000 0.964 620 G HN 0.476 nan 8.290 nan 0.000 0.540 621 D N 0.776 121.006 120.400 -0.283 0.000 2.575 621 D HA 0.527 5.173 4.640 0.009 0.000 0.250 621 D C 1.142 177.470 176.300 0.046 0.000 1.279 621 D CA 0.625 54.550 54.000 -0.125 0.000 0.925 621 D CB 1.391 42.207 40.800 0.027 0.000 1.261 621 D HN 0.506 nan 8.370 nan 0.000 0.567 622 T N 2.601 117.203 114.554 0.079 0.000 12.940 622 T HA -0.285 4.071 4.350 0.009 0.000 0.419 622 T C 0.607 175.406 174.700 0.165 0.000 1.444 622 T CA 1.977 64.157 62.100 0.134 0.000 2.373 622 T CB -1.100 67.810 68.868 0.070 0.000 2.821 622 T HN 0.676 nan 8.240 nan 0.000 0.696 623 D N 0.751 121.231 120.400 0.135 0.000 2.583 623 D HA 0.278 4.924 4.640 0.009 0.000 0.282 623 D C -0.022 176.363 176.300 0.142 0.000 1.485 623 D CA 0.579 54.665 54.000 0.144 0.000 0.834 623 D CB -0.212 40.650 40.800 0.103 0.000 1.258 623 D HN 0.733 nan 8.370 nan 0.000 0.470 624 S N 0.456 116.236 115.700 0.133 0.000 2.566 624 S HA 0.804 5.279 4.470 0.009 0.000 0.298 624 S C -0.091 174.567 174.600 0.097 0.000 1.083 624 S CA -0.882 57.382 58.200 0.107 0.000 0.978 624 S CB 1.983 65.254 63.200 0.118 0.000 1.073 624 S HN 0.352 nan 8.310 nan 0.000 0.491 625 I N -0.923 119.679 120.570 0.053 0.000 2.689 625 I HA 0.669 4.844 4.170 0.009 0.000 0.299 625 I C -1.922 174.176 176.117 -0.032 0.000 1.059 625 I CA -1.292 60.060 61.300 0.087 0.000 1.055 625 I CB 1.560 39.629 38.000 0.114 0.000 1.243 625 I HN 0.623 nan 8.210 nan 0.000 0.425 626 Y N 4.204 124.574 120.300 0.116 0.000 2.328 626 Y HA 0.605 5.161 4.550 0.009 0.000 0.333 626 Y C -0.273 175.668 175.900 0.067 0.000 0.958 626 Y CA -0.848 57.317 58.100 0.108 0.000 1.167 626 Y CB 2.080 40.548 38.460 0.013 0.000 1.151 626 Y HN 0.320 nan 8.280 nan 0.000 0.470 627 V N 2.740 122.824 119.914 0.284 0.000 2.398 627 V HA 0.273 4.399 4.120 0.009 0.000 0.286 627 V C 0.168 176.433 176.094 0.285 0.000 1.026 627 V CA -0.910 61.564 62.300 0.289 0.000 0.868 627 V CB 1.678 33.728 31.823 0.379 0.000 0.982 627 V HN 0.788 nan 8.190 nan 0.000 0.443 628 S N 3.677 119.523 115.700 0.243 0.000 2.488 628 S HA 0.391 4.867 4.470 0.009 0.000 0.278 628 S C 0.942 175.730 174.600 0.314 0.000 1.259 628 S CA 0.145 58.495 58.200 0.249 0.000 1.061 628 S CB 0.761 64.068 63.200 0.178 0.000 0.910 628 S HN 1.022 nan 8.310 nan 0.000 0.491 629 A N 4.336 127.338 122.820 0.303 0.000 2.430 629 A HA 0.251 4.576 4.320 0.009 0.000 0.243 629 A C 1.306 178.986 177.584 0.159 0.000 1.254 629 A CA -0.127 52.061 52.037 0.251 0.000 0.914 629 A CB -0.128 19.022 19.000 0.251 0.000 0.998 629 A HN 0.776 nan 8.150 nan 0.000 0.515 630 D N 1.107 121.628 120.400 0.201 0.000 2.116 630 D HA -0.178 4.468 4.640 0.009 0.000 0.193 630 D C 1.730 178.061 176.300 0.052 0.000 0.998 630 D CA 1.513 55.607 54.000 0.156 0.000 0.836 630 D CB -0.061 40.833 40.800 0.156 0.000 0.951 630 D HN 0.460 nan 8.370 nan 0.000 0.449 631 K N -0.062 120.387 120.400 0.082 0.000 2.148 631 K HA -0.055 4.271 4.320 0.009 0.000 0.204 631 K C 1.982 178.607 176.600 0.042 0.000 1.050 631 K CA 0.440 56.770 56.287 0.072 0.000 0.942 631 K CB 0.124 32.708 32.500 0.140 0.000 0.724 631 K HN 0.134 nan 8.250 nan 0.000 0.446 632 I N 1.392 121.979 120.570 0.028 0.000 2.163 632 I HA -0.250 3.926 4.170 0.009 0.000 0.240 632 I C 2.273 178.393 176.117 0.004 0.000 1.081 632 I CA 1.249 62.514 61.300 -0.059 0.000 1.353 632 I CB -0.949 36.914 38.000 -0.229 0.000 1.054 632 I HN 0.095 nan 8.210 nan 0.000 0.407 633 I N 1.152 121.670 120.570 -0.086 0.000 2.208 633 I HA -0.272 3.903 4.170 0.009 0.000 0.245 633 I C 2.125 178.161 176.117 -0.135 0.000 1.097 633 I CA 1.592 62.768 61.300 -0.207 0.000 1.363 633 I CB -1.265 36.278 38.000 -0.762 0.000 1.051 633 I HN 0.215 nan 8.210 nan 0.000 0.413 634 D N 0.757 121.097 120.400 -0.100 0.000 2.219 634 D HA -0.141 4.505 4.640 0.009 0.000 0.205 634 D C 2.161 178.423 176.300 -0.064 0.000 0.970 634 D CA 0.855 54.817 54.000 -0.063 0.000 0.851 634 D CB -0.119 40.664 40.800 -0.028 0.000 0.943 634 D HN 0.308 nan 8.370 nan 0.000 0.488 635 K N 0.112 120.478 120.400 -0.056 0.000 2.283 635 K HA -0.060 4.266 4.320 0.009 0.000 0.202 635 K C 1.923 178.462 176.600 -0.101 0.000 1.048 635 K CA 0.601 56.857 56.287 -0.051 0.000 0.948 635 K CB 0.326 32.817 32.500 -0.015 0.000 0.742 635 K HN 0.152 nan 8.250 nan 0.000 0.458 636 V N -2.387 117.417 119.914 -0.185 0.000 3.431 636 V HA 0.308 4.434 4.120 0.009 0.000 0.253 636 V C 0.420 176.337 176.094 -0.296 0.000 1.184 636 V CA 0.615 62.732 62.300 -0.305 0.000 1.104 636 V CB 0.059 31.535 31.823 -0.579 0.000 0.799 636 V HN 0.280 nan 8.190 nan 0.000 0.462 637 G N 0.596 109.272 108.800 -0.207 0.000 3.039 637 G HA2 -0.179 3.787 3.960 0.009 0.000 0.686 637 G HA3 -0.179 3.787 3.960 0.009 0.000 0.686 637 G C -0.092 174.733 174.900 -0.126 0.000 1.066 637 G CA 0.202 45.215 45.100 -0.144 0.000 0.774 637 G HN 0.463 nan 8.290 nan 0.000 0.591 638 E N 0.427 120.624 120.200 -0.005 0.000 2.153 638 E HA -0.125 4.231 4.350 0.009 0.000 0.194 638 E C 2.707 179.378 176.600 0.119 0.000 0.988 638 E CA 1.722 58.197 56.400 0.125 0.000 0.811 638 E CB -0.016 29.731 29.700 0.078 0.000 0.746 638 E HN 0.842 nan 8.360 nan 0.000 0.466 639 S N -0.102 115.604 115.700 0.011 0.000 2.515 639 S HA -0.054 4.422 4.470 0.009 0.000 0.231 639 S C 1.562 176.135 174.600 -0.046 0.000 0.987 639 S CA 0.584 58.787 58.200 0.004 0.000 0.936 639 S CB 0.047 63.239 63.200 -0.013 0.000 0.766 639 S HN 0.010 nan 8.310 nan 0.000 0.528 640 K N 0.445 120.733 120.400 -0.187 0.000 2.418 640 K HA 0.362 4.688 4.320 0.009 0.000 0.195 640 K C -0.376 176.034 176.600 -0.316 0.000 1.035 640 K CA 0.001 56.101 56.287 -0.313 0.000 1.003 640 K CB -0.130 32.069 32.500 -0.501 0.000 0.793 640 K HN 0.457 nan 8.250 nan 0.000 0.494 641 F N 0.228 120.198 119.950 0.034 0.000 2.394 641 F HA 0.258 4.791 4.527 0.010 0.000 0.340 641 F C 1.450 177.395 175.800 0.241 0.000 1.105 641 F CA -0.627 57.482 58.000 0.182 0.000 1.124 641 F CB 1.230 40.284 39.000 0.091 0.000 1.145 641 F HN -0.234 nan 8.300 nan 0.000 0.505 642 R N 0.548 121.370 120.500 0.536 0.000 2.090 642 R HA -0.015 4.330 4.340 0.009 0.000 0.228 642 R C -0.592 175.816 176.300 0.180 0.000 1.110 642 R CA 1.253 57.481 56.100 0.213 0.000 0.973 642 R CB -0.261 30.056 30.300 0.029 0.000 0.869 642 R HN 0.800 nan 8.270 nan 0.000 0.440 643 D N -4.185 116.349 120.400 0.223 0.000 2.792 643 D HA 0.058 4.704 4.640 0.009 0.000 0.335 643 D C 0.199 176.514 176.300 0.026 0.000 1.353 643 D CA -0.661 53.404 54.000 0.109 0.000 0.839 643 D CB 0.243 41.062 40.800 0.031 0.000 1.396 643 D HN -0.325 nan 8.370 nan 0.000 0.479 644 T N -0.377 114.083 114.554 -0.157 0.000 2.652 644 T HA -0.176 4.180 4.350 0.009 0.000 0.267 644 T C 1.427 175.515 174.700 -1.021 0.000 1.039 644 T CA 2.096 63.819 62.100 -0.628 0.000 1.153 644 T CB -0.629 67.715 68.868 -0.873 0.000 0.863 644 T HN 0.537 nan 8.240 nan 0.000 0.428 645 N N 0.284 118.642 118.700 -0.570 0.000 2.272 645 N HA -0.136 4.610 4.740 0.009 0.000 0.185 645 N C 1.597 176.953 175.510 -0.256 0.000 1.014 645 N CA 1.268 54.070 53.050 -0.414 0.000 0.870 645 N CB -0.281 38.102 38.487 -0.174 0.000 0.975 645 N HN 0.637 nan 8.380 nan 0.000 0.433 646 H N -0.999 117.920 119.070 -0.252 0.000 2.299 646 H HA -0.120 4.442 4.556 0.009 0.000 0.302 646 H C 1.822 177.113 175.328 -0.061 0.000 1.078 646 H CA 1.538 57.573 56.048 -0.022 0.000 1.323 646 H CB -0.254 29.622 29.762 0.191 0.000 1.381 646 H HN 0.530 nan 8.280 nan 0.000 0.498 647 W N 0.884 121.851 121.300 -0.553 0.000 2.425 647 W HA -0.042 4.623 4.660 0.009 0.000 0.277 647 W C 1.323 177.654 176.519 -0.314 0.000 1.231 647 W CA 0.639 57.378 57.345 -1.010 0.000 1.248 647 W CB -0.959 27.516 29.460 -1.642 0.000 1.117 647 W HN 0.012 nan 8.180 nan 0.000 0.568 648 V N 2.226 121.721 119.914 -0.698 0.000 2.358 648 V HA -0.287 3.839 4.120 0.009 0.000 0.246 648 V C 2.339 178.370 176.094 -0.105 0.000 1.047 648 V CA 2.437 64.444 62.300 -0.487 0.000 1.035 648 V CB -0.947 30.459 31.823 -0.696 0.000 0.658 648 V HN -0.026 nan 8.190 nan 0.000 0.452 649 D N -0.281 120.090 120.400 -0.048 0.000 2.123 649 D HA -0.197 4.448 4.640 0.009 0.000 0.196 649 D C 1.899 178.299 176.300 0.166 0.000 0.992 649 D CA 1.455 55.502 54.000 0.079 0.000 0.833 649 D CB -0.303 40.584 40.800 0.145 0.000 0.954 649 D HN 0.464 nan 8.370 nan 0.000 0.455 650 F N 1.385 121.385 119.950 0.083 0.000 2.102 650 F HA -0.134 4.398 4.527 0.009 0.000 0.298 650 F C 2.169 178.077 175.800 0.181 0.000 1.105 650 F CA 1.196 59.285 58.000 0.149 0.000 1.239 650 F CB -0.399 38.721 39.000 0.200 0.000 0.991 650 F HN -0.117 nan 8.300 nan 0.000 0.474 651 L N 0.066 121.336 121.223 0.079 0.000 2.083 651 L HA -0.203 4.142 4.340 0.009 0.000 0.209 651 L C 2.208 179.127 176.870 0.081 0.000 1.083 651 L CA 1.785 56.656 54.840 0.052 0.000 0.752 651 L CB -0.892 41.317 42.059 0.250 0.000 0.899 651 L HN 0.213 nan 8.230 nan 0.000 0.433 652 D N 0.403 120.841 120.400 0.064 0.000 2.104 652 D HA -0.254 4.391 4.640 0.009 0.000 0.194 652 D C 2.203 178.523 176.300 0.034 0.000 0.994 652 D CA 1.485 55.510 54.000 0.041 0.000 0.830 652 D CB 0.092 40.905 40.800 0.022 0.000 0.959 652 D HN 0.042 nan 8.370 nan 0.000 0.452 653 K N -1.204 119.213 120.400 0.028 0.000 2.057 653 K HA -0.149 4.176 4.320 0.009 0.000 0.207 653 K C 2.160 178.761 176.600 0.002 0.000 1.049 653 K CA 0.961 57.261 56.287 0.021 0.000 0.931 653 K CB -0.411 32.120 32.500 0.051 0.000 0.714 653 K HN 0.207 nan 8.250 nan 0.000 0.440 654 F N 0.939 120.762 119.950 -0.212 0.000 2.134 654 F HA -0.178 4.354 4.527 0.009 0.000 0.299 654 F C 2.007 177.794 175.800 -0.021 0.000 1.097 654 F CA 1.486 59.370 58.000 -0.195 0.000 1.264 654 F CB -0.222 38.541 39.000 -0.395 0.000 1.001 654 F HN 0.085 nan 8.300 nan 0.000 0.479 655 A N 0.468 123.352 122.820 0.107 0.000 1.877 655 A HA -0.218 4.108 4.320 0.009 0.000 0.216 655 A C 2.321 179.944 177.584 0.066 0.000 1.186 655 A CA 1.830 53.972 52.037 0.174 0.000 0.620 655 A CB -0.825 18.298 19.000 0.206 0.000 0.822 655 A HN 0.482 nan 8.150 nan 0.000 0.443 656 R N -0.442 120.068 120.500 0.016 0.000 2.073 656 R HA -0.058 4.288 4.340 0.009 0.000 0.229 656 R C 1.813 178.081 176.300 -0.055 0.000 1.120 656 R CA 1.574 57.673 56.100 -0.003 0.000 0.967 656 R CB -0.166 30.134 30.300 0.000 0.000 0.862 656 R HN 0.631 nan 8.270 nan 0.000 0.436 657 E N -0.955 119.191 120.200 -0.091 0.000 2.340 657 E HA -0.002 4.354 4.350 0.009 0.000 0.194 657 E C 1.716 178.216 176.600 -0.166 0.000 0.996 657 E CA 0.287 56.628 56.400 -0.098 0.000 0.869 657 E CB 0.484 30.151 29.700 -0.055 0.000 0.835 657 E HN 0.174 nan 8.360 nan 0.000 0.493 658 R N -0.447 119.867 120.500 -0.310 0.000 2.197 658 R HA 0.268 4.613 4.340 0.009 0.000 0.188 658 R C 2.101 178.114 176.300 -0.479 0.000 1.015 658 R CA 0.424 56.293 56.100 -0.386 0.000 1.132 658 R CB -0.358 29.548 30.300 -0.657 0.000 1.134 658 R HN 0.129 nan 8.270 nan 0.000 0.560 659 M N 0.925 120.233 119.600 -0.487 0.000 2.160 659 M HA -0.009 4.476 4.480 0.009 0.000 0.264 659 M C 1.862 177.922 176.300 -0.399 0.000 1.073 659 M CA 1.552 56.567 55.300 -0.475 0.000 1.142 659 M CB -0.199 32.222 32.600 -0.299 0.000 1.358 659 M HN 0.127 nan 8.290 nan 0.000 0.422 660 E N 0.140 120.231 120.200 -0.183 0.000 2.077 660 E HA -0.182 4.174 4.350 0.009 0.000 0.193 660 E C -0.776 175.756 176.600 -0.113 0.000 0.989 660 E CA 1.177 57.531 56.400 -0.076 0.000 0.800 660 E CB -1.049 28.676 29.700 0.042 0.000 0.746 660 E HN 0.377 nan 8.360 nan 0.000 0.452 661 P HA -0.149 nan 4.420 nan 0.000 0.217 661 P C 1.075 178.242 177.300 -0.221 0.000 1.150 661 P CA 1.716 64.726 63.100 -0.150 0.000 0.832 661 P CB 0.011 31.620 31.700 -0.151 0.000 0.787 662 A N -0.789 121.778 122.820 -0.421 0.000 1.902 662 A HA -0.165 4.160 4.320 0.009 0.000 0.217 662 A C 2.191 179.563 177.584 -0.353 0.000 1.181 662 A CA 1.394 53.108 52.037 -0.539 0.000 0.623 662 A CB -1.614 16.648 19.000 -1.231 0.000 0.818 662 A HN 0.105 nan 8.150 nan 0.000 0.443 663 I N -0.469 119.915 120.570 -0.310 0.000 2.179 663 I HA -0.239 3.937 4.170 0.009 0.000 0.242 663 I C 2.260 178.375 176.117 -0.003 0.000 1.088 663 I CA 1.839 63.023 61.300 -0.194 0.000 1.357 663 I CB -0.346 37.573 38.000 -0.135 0.000 1.051 663 I HN 0.337 nan 8.210 nan 0.000 0.409 664 D N 0.691 121.133 120.400 0.071 0.000 2.123 664 D HA -0.178 4.468 4.640 0.009 0.000 0.196 664 D C 2.371 178.710 176.300 0.065 0.000 0.992 664 D CA 1.375 55.486 54.000 0.185 0.000 0.833 664 D CB 0.079 40.973 40.800 0.158 0.000 0.954 664 D HN 0.103 nan 8.370 nan 0.000 0.455 665 R N -0.423 120.062 120.500 -0.025 0.000 2.081 665 R HA -0.053 4.293 4.340 0.009 0.000 0.235 665 R C 2.478 178.769 176.300 -0.015 0.000 1.131 665 R CA 1.248 57.322 56.100 -0.044 0.000 0.960 665 R CB -0.621 29.636 30.300 -0.072 0.000 0.856 665 R HN 0.238 nan 8.270 nan 0.000 0.436 666 G N 0.421 109.198 108.800 -0.038 0.000 2.440 666 G HA2 -0.248 3.718 3.960 0.009 0.000 0.218 666 G HA3 -0.248 3.718 3.960 0.009 0.000 0.218 666 G C 1.076 176.068 174.900 0.155 0.000 1.154 666 G CA 0.594 45.710 45.100 0.027 0.000 0.767 666 G HN 0.166 nan 8.290 nan 0.000 0.552 667 F N 0.750 120.770 119.950 0.117 0.000 2.293 667 F HA 0.209 4.742 4.527 0.009 0.000 0.297 667 F C 2.828 178.545 175.800 -0.137 0.000 1.089 667 F CA 0.527 58.541 58.000 0.023 0.000 1.377 667 F CB -0.194 38.902 39.000 0.160 0.000 1.051 667 F HN -0.005 nan 8.300 nan 0.000 0.511 668 R N 0.051 120.492 120.500 -0.099 0.000 2.096 668 R HA -0.187 4.158 4.340 0.009 0.000 0.235 668 R C 2.138 178.397 176.300 -0.069 0.000 1.127 668 R CA 1.539 57.486 56.100 -0.257 0.000 0.968 668 R CB -0.466 29.677 30.300 -0.263 0.000 0.861 668 R HN 0.355 nan 8.270 nan 0.000 0.440 669 E N 0.762 120.973 120.200 0.018 0.000 2.072 669 E HA -0.207 4.149 4.350 0.009 0.000 0.191 669 E C 2.012 178.624 176.600 0.020 0.000 0.985 669 E CA 0.982 57.431 56.400 0.081 0.000 0.801 669 E CB 0.033 29.854 29.700 0.202 0.000 0.750 669 E HN 0.224 nan 8.360 nan 0.000 0.452 670 M N 0.251 119.746 119.600 -0.175 0.000 2.175 670 M HA -0.157 4.329 4.480 0.009 0.000 0.264 670 M C 2.526 178.689 176.300 -0.228 0.000 1.063 670 M CA 1.281 56.205 55.300 -0.626 0.000 1.119 670 M CB -0.268 31.614 32.600 -1.197 0.000 1.377 670 M HN 0.383 nan 8.290 nan 0.000 0.415 671 C N 1.771 121.032 119.300 -0.065 0.000 2.413 671 C HA -0.199 4.266 4.460 0.009 0.000 0.276 671 C C 2.634 177.632 174.990 0.013 0.000 1.236 671 C CA 1.971 61.002 59.018 0.022 0.000 1.735 671 C CB -1.223 26.557 27.740 0.067 0.000 2.031 671 C HN 0.760 nan 8.230 nan 0.000 0.474 672 E N -1.334 118.876 120.200 0.017 0.000 2.152 672 E HA -0.257 4.099 4.350 0.009 0.000 0.192 672 E C 2.116 178.766 176.600 0.084 0.000 0.983 672 E CA 1.292 57.715 56.400 0.038 0.000 0.818 672 E CB -0.909 28.811 29.700 0.034 0.000 0.758 672 E HN 0.732 nan 8.360 nan 0.000 0.467 673 Y N 1.563 121.815 120.300 -0.080 0.000 2.181 673 Y HA -0.072 4.484 4.550 0.009 0.000 0.288 673 Y C 2.038 177.880 175.900 -0.097 0.000 1.146 673 Y CA 1.291 59.346 58.100 -0.075 0.000 1.164 673 Y CB -0.027 38.368 38.460 -0.109 0.000 0.982 673 Y HN 0.017 nan 8.280 nan 0.000 0.515 674 M N 0.268 119.778 119.600 -0.150 0.000 2.561 674 M HA 0.011 4.497 4.480 0.009 0.000 0.238 674 M C 0.685 176.931 176.300 -0.091 0.000 1.131 674 M CA 0.645 55.823 55.300 -0.204 0.000 1.046 674 M CB -1.486 31.063 32.600 -0.085 0.000 1.532 674 M HN 0.371 nan 8.290 nan 0.000 0.497 675 N N 2.424 121.097 118.700 -0.043 0.000 2.740 675 N HA -0.205 4.540 4.740 0.009 0.000 0.248 675 N C -0.835 174.677 175.510 0.005 0.000 1.062 675 N CA 0.375 53.414 53.050 -0.017 0.000 0.704 675 N CB -1.515 36.950 38.487 -0.036 0.000 0.968 675 N HN 0.537 nan 8.380 nan 0.000 0.547 676 N N 0.195 118.901 118.700 0.011 0.000 2.399 676 N HA 0.061 4.807 4.740 0.009 0.000 0.250 676 N C 1.256 176.762 175.510 -0.007 0.000 1.272 676 N CA -0.127 52.922 53.050 -0.002 0.000 0.928 676 N CB 0.588 39.067 38.487 -0.014 0.000 1.158 676 N HN 0.259 nan 8.380 nan 0.000 0.463 677 K N 0.403 120.784 120.400 -0.030 0.000 2.057 677 K HA -0.104 4.221 4.320 0.009 0.000 0.206 677 K C 0.096 176.682 176.600 -0.023 0.000 1.050 677 K CA 1.301 57.576 56.287 -0.021 0.000 0.935 677 K CB 0.231 32.709 32.500 -0.036 0.000 0.715 677 K HN 0.541 nan 8.250 nan 0.000 0.439 678 Q N -0.186 119.585 119.800 -0.049 0.000 2.327 678 Q HA 0.027 4.373 4.340 0.009 0.000 0.265 678 Q C -1.928 174.038 176.000 -0.056 0.000 0.993 678 Q CA -0.699 55.082 55.803 -0.035 0.000 0.885 678 Q CB 1.290 29.991 28.738 -0.063 0.000 1.379 678 Q HN 0.311 nan 8.270 nan 0.000 0.408 679 H N 4.765 123.785 119.070 -0.083 0.000 2.955 679 H HA 0.262 4.824 4.556 0.010 0.000 0.290 679 H C -0.574 174.572 175.328 -0.302 0.000 1.047 679 H CA 0.703 56.675 56.048 -0.128 0.000 1.484 679 H CB 0.233 29.985 29.762 -0.016 0.000 1.501 679 H HN 0.628 nan 8.280 nan 0.000 0.521 680 L N 4.896 125.549 121.223 -0.949 0.000 3.429 680 L HA 0.203 4.549 4.340 0.009 0.000 0.311 680 L C -0.356 175.608 176.870 -1.511 0.000 1.274 680 L CA -0.189 53.808 54.840 -1.406 0.000 1.037 680 L CB 0.347 41.935 42.059 -0.785 0.000 1.433 680 L HN 0.619 nan 8.230 nan 0.000 0.614 681 M N 1.555 120.433 119.600 -1.203 0.000 2.557 681 M HA 0.261 4.747 4.480 0.009 0.000 0.328 681 M C -1.062 174.846 176.300 -0.654 0.000 1.423 681 M CA 0.267 55.026 55.300 -0.901 0.000 1.418 681 M CB -0.619 31.365 32.600 -1.027 0.000 1.381 681 M HN -0.104 nan 8.290 nan 0.000 0.467 682 F N 3.462 123.243 119.950 -0.283 0.000 2.308 682 F HA 0.479 5.011 4.527 0.009 0.000 0.370 682 F C 0.328 176.122 175.800 -0.011 0.000 1.100 682 F CA -1.063 56.880 58.000 -0.096 0.000 1.108 682 F CB 0.688 39.641 39.000 -0.079 0.000 1.293 682 F HN 0.441 nan 8.300 nan 0.000 0.478 683 M N 4.723 124.491 119.600 0.281 0.000 2.047 683 M HA 0.413 4.899 4.480 0.009 0.000 0.342 683 M C -1.465 175.017 176.300 0.303 0.000 1.058 683 M CA -0.244 55.226 55.300 0.282 0.000 0.991 683 M CB 0.383 33.220 32.600 0.394 0.000 1.474 683 M HN 0.371 nan 8.290 nan 0.000 0.419 684 D N 3.457 124.006 120.400 0.248 0.000 2.272 684 D HA 0.336 4.981 4.640 0.009 0.000 0.247 684 D C -0.384 176.017 176.300 0.168 0.000 0.990 684 D CA -0.426 53.701 54.000 0.213 0.000 0.931 684 D CB 1.300 42.163 40.800 0.104 0.000 1.195 684 D HN 0.530 nan 8.370 nan 0.000 0.477 685 R N 1.410 121.924 120.500 0.023 0.000 2.522 685 R HA -0.035 4.311 4.340 0.009 0.000 0.284 685 R C 0.534 176.682 176.300 -0.254 0.000 1.032 685 R CA 0.588 56.417 56.100 -0.451 0.000 1.049 685 R CB 0.585 30.627 30.300 -0.430 0.000 0.956 685 R HN 0.634 nan 8.270 nan 0.000 0.422 686 E N 2.572 122.594 120.200 -0.296 0.000 2.101 686 E HA 0.212 4.568 4.350 0.009 0.000 0.194 686 E C -0.516 176.024 176.600 -0.101 0.000 0.950 686 E CA 0.205 56.523 56.400 -0.137 0.000 0.917 686 E CB 0.335 29.982 29.700 -0.089 0.000 0.963 686 E HN 0.687 nan 8.360 nan 0.000 0.476 687 A N 0.868 123.637 122.820 -0.085 0.000 2.340 687 A HA 0.624 4.949 4.320 0.009 0.000 0.331 687 A C -0.852 176.767 177.584 0.058 0.000 1.140 687 A CA -0.541 51.517 52.037 0.035 0.000 0.801 687 A CB 0.784 19.869 19.000 0.141 0.000 1.234 687 A HN 0.325 nan 8.150 nan 0.000 0.469 688 I N 1.688 122.348 120.570 0.150 0.000 2.382 688 I HA 0.560 4.736 4.170 0.009 0.000 0.286 688 I C 0.312 176.694 176.117 0.441 0.000 1.002 688 I CA -0.120 61.342 61.300 0.270 0.000 1.135 688 I CB 1.762 39.900 38.000 0.230 0.000 1.288 688 I HN 0.720 nan 8.210 nan 0.000 0.448 689 A N 4.653 127.782 122.820 0.514 0.000 2.401 689 A HA 1.020 5.345 4.320 0.009 0.000 0.310 689 A C -0.270 177.706 177.584 0.652 0.000 1.075 689 A CA -0.501 51.865 52.037 0.548 0.000 0.746 689 A CB 1.843 21.059 19.000 0.359 0.000 1.277 689 A HN 0.861 nan 8.150 nan 0.000 0.425 690 G N 0.610 109.835 108.800 0.708 0.000 2.338 690 G HA2 0.591 4.557 3.960 0.009 0.000 0.295 690 G HA3 0.591 4.557 3.960 0.009 0.000 0.295 690 G C -3.578 171.662 174.900 0.566 0.000 1.461 690 G CA -0.607 44.728 45.100 0.392 0.000 0.817 690 G HN 0.592 nan 8.290 nan 0.000 0.556 691 P HA 0.390 nan 4.420 nan 0.000 0.276 691 P C -2.754 174.850 177.300 0.508 0.000 1.244 691 P CA -1.445 61.824 63.100 0.280 0.000 0.801 691 P CB 0.497 32.218 31.700 0.035 0.000 1.006 692 P HA 0.062 nan 4.420 nan 0.000 0.266 692 P C 0.238 177.715 177.300 0.295 0.000 1.195 692 P CA 0.151 63.542 63.100 0.484 0.000 0.768 692 P CB 0.255 32.213 31.700 0.430 0.000 0.838 693 L N 3.170 124.559 121.223 0.277 0.000 2.559 693 L HA 0.075 4.421 4.340 0.009 0.000 0.274 693 L C 1.389 178.356 176.870 0.163 0.000 1.205 693 L CA 1.291 56.279 54.840 0.245 0.000 0.907 693 L CB -0.723 41.501 42.059 0.275 0.000 1.153 693 L HN 0.840 nan 8.230 nan 0.000 0.490 694 G N 2.342 111.219 108.800 0.130 0.000 2.143 694 G HA2 -0.275 3.691 3.960 0.009 0.000 0.249 694 G HA3 -0.275 3.691 3.960 0.009 0.000 0.249 694 G C 0.224 175.176 174.900 0.086 0.000 0.981 694 G CA 0.388 45.546 45.100 0.098 0.000 0.665 694 G HN 0.854 nan 8.290 nan 0.000 0.528 695 S N -1.333 114.424 115.700 0.095 0.000 2.758 695 S HA 0.754 5.229 4.470 0.009 0.000 0.292 695 S C 0.696 175.331 174.600 0.058 0.000 1.131 695 S CA -0.207 58.043 58.200 0.084 0.000 0.997 695 S CB 1.702 64.971 63.200 0.115 0.000 1.111 695 S HN 0.196 nan 8.310 nan 0.000 0.552 696 K N 0.067 120.497 120.400 0.050 0.000 2.397 696 K HA 0.272 4.598 4.320 0.009 0.000 0.202 696 K C 0.893 177.512 176.600 0.031 0.000 1.022 696 K CA -0.065 56.240 56.287 0.031 0.000 1.141 696 K CB 0.073 32.587 32.500 0.024 0.000 0.857 696 K HN 0.716 nan 8.250 nan 0.000 0.514 697 G N 1.367 110.196 108.800 0.048 0.000 2.491 697 G HA2 0.076 4.041 3.960 0.009 0.000 0.238 697 G HA3 0.076 4.041 3.960 0.009 0.000 0.238 697 G C 0.820 175.736 174.900 0.026 0.000 1.277 697 G CA -0.385 44.745 45.100 0.051 0.000 0.851 697 G HN 0.380 nan 8.290 nan 0.000 0.573 698 I N -0.286 120.306 120.570 0.036 0.000 3.728 698 I HA 0.356 4.532 4.170 0.009 0.000 0.307 698 I C 1.661 177.799 176.117 0.034 0.000 1.276 698 I CA 0.536 61.853 61.300 0.027 0.000 1.285 698 I CB 0.161 38.190 38.000 0.050 0.000 1.038 698 I HN 0.804 nan 8.210 nan 0.000 0.445 699 G N 1.324 110.155 108.800 0.052 0.000 2.900 699 G HA2 -0.184 3.782 3.960 0.009 0.000 0.223 699 G HA3 -0.184 3.782 3.960 0.009 0.000 0.223 699 G C 0.501 175.466 174.900 0.109 0.000 1.293 699 G CA -0.052 45.088 45.100 0.066 0.000 0.792 699 G HN 1.196 nan 8.290 nan 0.000 0.527 700 G N -1.115 107.782 108.800 0.161 0.000 2.506 700 G HA2 0.844 4.810 3.960 0.009 0.000 0.292 700 G HA3 0.844 4.810 3.960 0.009 0.000 0.292 700 G C -1.063 174.037 174.900 0.333 0.000 1.425 700 G CA 0.035 45.225 45.100 0.150 0.000 0.788 700 G HN 1.817 nan 8.290 nan 0.000 0.490 701 F N -2.280 117.746 119.950 0.127 0.000 2.703 701 F HA 0.786 5.319 4.527 0.009 0.000 0.308 701 F C -1.902 173.994 175.800 0.161 0.000 1.126 701 F CA -1.955 56.201 58.000 0.259 0.000 0.959 701 F CB 1.354 40.411 39.000 0.094 0.000 1.297 701 F HN 0.557 nan 8.300 nan 0.000 0.441 702 W N 2.431 123.926 121.300 0.324 0.000 2.632 702 W HA 0.354 5.019 4.660 0.009 0.000 0.328 702 W C 0.408 177.085 176.519 0.264 0.000 1.044 702 W CA -0.186 57.237 57.345 0.130 0.000 1.225 702 W CB 2.688 32.124 29.460 -0.041 0.000 1.396 702 W HN 0.900 nan 8.180 nan 0.000 0.499 703 T N -0.343 114.423 114.554 0.353 0.000 3.023 703 T HA 0.417 4.773 4.350 0.009 0.000 0.249 703 T C 0.575 175.403 174.700 0.213 0.000 1.050 703 T CA 0.816 63.089 62.100 0.288 0.000 1.088 703 T CB 0.922 69.956 68.868 0.277 0.000 0.946 703 T HN 0.547 nan 8.240 nan 0.000 0.480 704 G N 0.348 109.268 108.800 0.200 0.000 2.340 704 G HA2 0.398 4.364 3.960 0.009 0.000 0.299 704 G HA3 0.398 4.364 3.960 0.009 0.000 0.299 704 G C -1.855 173.138 174.900 0.155 0.000 1.291 704 G CA -1.196 44.002 45.100 0.163 0.000 0.841 704 G HN 0.270 nan 8.290 nan 0.000 0.500 705 K N 0.916 121.419 120.400 0.172 0.000 2.489 705 K HA 0.223 4.548 4.320 0.009 0.000 0.278 705 K C 0.218 176.932 176.600 0.191 0.000 1.000 705 K CA 0.670 57.106 56.287 0.250 0.000 1.012 705 K CB 0.294 32.919 32.500 0.209 0.000 0.903 705 K HN 0.610 nan 8.250 nan 0.000 0.485 706 K N 1.345 121.912 120.400 0.277 0.000 3.160 706 K HA -0.255 4.071 4.320 0.009 0.000 0.280 706 K C -0.642 175.968 176.600 0.017 0.000 1.154 706 K CA 0.985 57.391 56.287 0.197 0.000 0.822 706 K CB -0.908 31.677 32.500 0.143 0.000 1.239 706 K HN 0.585 nan 8.250 nan 0.000 0.489 707 R N 0.338 120.824 120.500 -0.022 0.000 2.713 707 R HA 0.274 4.620 4.340 0.009 0.000 0.282 707 R C -1.176 174.926 176.300 -0.329 0.000 1.472 707 R CA -0.721 55.282 56.100 -0.162 0.000 1.060 707 R CB 0.839 31.130 30.300 -0.017 0.000 1.237 707 R HN 0.256 nan 8.270 nan 0.000 0.484 708 Y N -0.993 118.849 120.300 -0.764 0.000 2.656 708 Y HA 0.836 5.392 4.550 0.010 0.000 0.334 708 Y C -1.844 173.362 175.900 -1.157 0.000 1.179 708 Y CA -1.388 55.943 58.100 -1.281 0.000 1.050 708 Y CB 1.372 38.392 38.460 -2.401 0.000 1.308 708 Y HN 0.369 nan 8.280 nan 0.000 0.456 709 A N 2.221 124.315 122.820 -1.209 0.000 2.455 709 A HA 0.844 5.170 4.320 0.009 0.000 0.300 709 A C -2.089 175.124 177.584 -0.618 0.000 1.040 709 A CA -0.778 50.696 52.037 -0.939 0.000 0.697 709 A CB 1.358 19.687 19.000 -1.118 0.000 1.265 709 A HN 0.799 nan 8.150 nan 0.000 0.407 710 L N 1.427 122.445 121.223 -0.342 0.000 2.422 710 L HA 0.441 4.786 4.340 0.009 0.000 0.264 710 L C -0.508 176.300 176.870 -0.103 0.000 0.984 710 L CA -0.909 53.854 54.840 -0.128 0.000 0.819 710 L CB 2.500 44.573 42.059 0.024 0.000 1.330 710 L HN 0.793 nan 8.230 nan 0.000 0.410 711 N N 1.766 120.440 118.700 -0.045 0.000 2.469 711 N HA 0.372 5.118 4.740 0.009 0.000 0.239 711 N C -1.213 174.217 175.510 -0.134 0.000 1.053 711 N CA -0.200 52.775 53.050 -0.125 0.000 0.937 711 N CB 0.926 39.367 38.487 -0.076 0.000 1.163 711 N HN 0.262 nan 8.380 nan 0.000 0.509 712 V N 4.135 123.932 119.914 -0.195 0.000 2.427 712 V HA 0.290 4.415 4.120 0.009 0.000 0.286 712 V C 0.161 176.201 176.094 -0.090 0.000 1.034 712 V CA -0.514 61.779 62.300 -0.011 0.000 0.893 712 V CB 1.282 33.179 31.823 0.123 0.000 0.982 712 V HN 0.775 nan 8.190 nan 0.000 0.452 713 W N 0.610 122.032 121.300 0.204 0.000 2.808 713 W HA 0.318 4.984 4.660 0.010 0.000 0.266 713 W C 0.679 177.229 176.519 0.051 0.000 1.247 713 W CA -0.058 57.375 57.345 0.147 0.000 1.440 713 W CB 0.686 30.119 29.460 -0.046 0.000 1.040 713 W HN 0.475 nan 8.180 nan 0.000 0.606 714 D N 0.373 120.879 120.400 0.177 0.000 2.990 714 D HA 0.269 4.915 4.640 0.009 0.000 0.227 714 D C -1.529 174.729 176.300 -0.070 0.000 1.249 714 D CA -0.419 53.532 54.000 -0.082 0.000 0.891 714 D CB 1.714 42.492 40.800 -0.038 0.000 1.647 714 D HN -0.198 nan 8.370 nan 0.000 0.530 715 M N 3.247 122.717 119.600 -0.216 0.000 2.151 715 M HA 0.257 4.743 4.480 0.009 0.000 0.290 715 M C -0.428 175.808 176.300 -0.107 0.000 0.965 715 M CA 0.039 55.292 55.300 -0.079 0.000 0.930 715 M CB 0.999 33.631 32.600 0.054 0.000 1.560 715 M HN 0.430 nan 8.290 nan 0.000 0.438 716 E N 3.415 123.572 120.200 -0.072 0.000 2.403 716 E HA -0.252 4.104 4.350 0.009 0.000 0.241 716 E C 0.762 177.311 176.600 -0.084 0.000 1.201 716 E CA 0.979 57.339 56.400 -0.067 0.000 0.721 716 E CB -1.755 27.917 29.700 -0.046 0.000 1.245 716 E HN 1.333 nan 8.360 nan 0.000 0.392 717 G N -0.856 107.884 108.800 -0.100 0.000 2.175 717 G HA2 -0.310 3.656 3.960 0.009 0.000 0.244 717 G HA3 -0.310 3.656 3.960 0.009 0.000 0.244 717 G C 0.314 175.133 174.900 -0.136 0.000 0.982 717 G CA 0.339 45.380 45.100 -0.098 0.000 0.641 717 G HN 0.275 nan 8.290 nan 0.000 0.527 718 T N 1.208 115.637 114.554 -0.208 0.000 2.727 718 T HA 0.527 4.882 4.350 0.009 0.000 0.298 718 T C 0.316 174.742 174.700 -0.457 0.000 0.942 718 T CA -0.223 61.697 62.100 -0.300 0.000 0.997 718 T CB 1.375 70.044 68.868 -0.331 0.000 0.917 718 T HN 0.422 nan 8.240 nan 0.000 0.487 719 R N 3.294 123.629 120.500 -0.274 0.000 2.210 719 R HA 0.296 4.642 4.340 0.009 0.000 0.338 719 R C -1.131 175.092 176.300 -0.128 0.000 1.062 719 R CA -0.525 55.459 56.100 -0.193 0.000 0.902 719 R CB -0.289 29.972 30.300 -0.065 0.000 1.050 719 R HN 0.473 nan 8.270 nan 0.000 0.461 720 Y N 2.439 122.777 120.300 0.063 0.000 2.346 720 Y HA 0.201 4.757 4.550 0.009 0.000 0.330 720 Y C 1.509 177.460 175.900 0.086 0.000 1.178 720 Y CA 0.150 58.278 58.100 0.047 0.000 1.331 720 Y CB 1.010 39.472 38.460 0.004 0.000 1.253 720 Y HN 0.771 nan 8.280 nan 0.000 0.529 721 A N 1.593 124.562 122.820 0.249 0.000 1.930 721 A HA -0.051 4.274 4.320 0.009 0.000 0.217 721 A C 0.575 178.293 177.584 0.223 0.000 1.175 721 A CA 1.231 53.396 52.037 0.215 0.000 0.627 721 A CB -0.131 18.966 19.000 0.160 0.000 0.815 721 A HN 0.657 nan 8.150 nan 0.000 0.443 722 E N -0.197 120.095 120.200 0.153 0.000 2.222 722 E HA 0.379 4.734 4.350 0.009 0.000 0.267 722 E C -2.877 173.667 176.600 -0.093 0.000 0.884 722 E CA -2.569 53.862 56.400 0.052 0.000 0.764 722 E CB 1.429 31.130 29.700 0.002 0.000 1.169 722 E HN 0.139 nan 8.360 nan 0.000 0.413 723 P HA 0.025 nan 4.420 nan 0.000 0.266 723 P C -0.494 176.500 177.300 -0.511 0.000 1.195 723 P CA 0.107 62.819 63.100 -0.647 0.000 0.768 723 P CB 0.829 31.752 31.700 -1.294 0.000 0.838 724 K N 3.248 123.314 120.400 -0.556 0.000 2.244 724 K HA 0.375 4.701 4.320 0.009 0.000 0.260 724 K C -0.317 176.068 176.600 -0.358 0.000 0.951 724 K CA -0.772 55.189 56.287 -0.543 0.000 0.826 724 K CB 0.663 32.605 32.500 -0.930 0.000 1.108 724 K HN 0.409 nan 8.250 nan 0.000 0.433 725 L N 4.550 125.599 121.223 -0.290 0.000 2.361 725 L HA 0.179 4.525 4.340 0.009 0.000 0.278 725 L C 0.253 176.996 176.870 -0.210 0.000 1.113 725 L CA 0.000 54.700 54.840 -0.234 0.000 0.849 725 L CB 0.463 42.394 42.059 -0.213 0.000 1.155 725 L HN 0.539 nan 8.230 nan 0.000 0.452 726 K N 5.686 125.975 120.400 -0.186 0.000 2.292 726 K HA 0.514 4.840 4.320 0.009 0.000 0.270 726 K C -0.965 175.455 176.600 -0.299 0.000 1.062 726 K CA -0.399 55.785 56.287 -0.171 0.000 0.916 726 K CB 0.530 32.998 32.500 -0.053 0.000 1.166 726 K HN 0.503 nan 8.250 nan 0.000 0.458 727 I N 5.336 125.704 120.570 -0.337 0.000 2.389 727 I HA 0.319 4.495 4.170 0.009 0.000 0.288 727 I C -0.645 175.172 176.117 -0.499 0.000 0.999 727 I CA -0.855 60.163 61.300 -0.471 0.000 1.129 727 I CB 1.663 39.436 38.000 -0.378 0.000 1.288 727 I HN 0.402 nan 8.210 nan 0.000 0.444 728 M N 4.468 123.600 119.600 -0.781 0.000 2.243 728 M HA 0.451 4.937 4.480 0.009 0.000 0.324 728 M C 0.932 176.913 176.300 -0.532 0.000 1.031 728 M CA -0.648 54.243 55.300 -0.681 0.000 0.949 728 M CB 0.744 32.766 32.600 -0.964 0.000 1.615 728 M HN 0.901 nan 8.290 nan 0.000 0.430 729 G N 2.476 111.105 108.800 -0.285 0.000 2.347 729 G HA2 -0.227 3.739 3.960 0.009 0.000 0.247 729 G HA3 -0.227 3.739 3.960 0.009 0.000 0.247 729 G C 0.218 175.049 174.900 -0.116 0.000 1.037 729 G CA 0.022 45.023 45.100 -0.166 0.000 0.622 729 G HN 0.583 nan 8.290 nan 0.000 0.521 730 L N 0.274 121.395 121.223 -0.170 0.000 2.474 730 L HA 0.338 4.683 4.340 0.009 0.000 0.259 730 L C 1.893 178.775 176.870 0.020 0.000 1.232 730 L CA -0.070 54.739 54.840 -0.053 0.000 0.821 730 L CB 0.185 42.101 42.059 -0.237 0.000 1.108 730 L HN 0.080 nan 8.230 nan 0.000 0.495 731 E N -0.042 120.254 120.200 0.159 0.000 2.265 731 E HA -0.161 4.194 4.350 0.009 0.000 0.196 731 E C 1.895 178.537 176.600 0.071 0.000 0.996 731 E CA 1.437 57.901 56.400 0.105 0.000 0.832 731 E CB -0.204 29.562 29.700 0.111 0.000 0.756 731 E HN 0.853 nan 8.360 nan 0.000 0.491 732 T N -1.337 113.255 114.554 0.063 0.000 2.929 732 T HA -0.153 4.203 4.350 0.009 0.000 0.271 732 T C 1.394 176.089 174.700 -0.007 0.000 1.085 732 T CA 0.810 62.922 62.100 0.020 0.000 1.125 732 T CB -0.015 68.837 68.868 -0.027 0.000 0.874 732 T HN -0.004 nan 8.240 nan 0.000 0.494 733 Q N 0.481 120.263 119.800 -0.029 0.000 2.282 733 Q HA 0.324 4.669 4.340 0.009 0.000 0.206 733 Q C 0.110 176.102 176.000 -0.014 0.000 0.878 733 Q CA 0.308 56.090 55.803 -0.035 0.000 0.944 733 Q CB 0.442 29.131 28.738 -0.081 0.000 1.100 733 Q HN 0.592 nan 8.270 nan 0.000 0.509 734 K N 1.005 121.402 120.400 -0.004 0.000 2.211 734 K HA 0.192 4.518 4.320 0.009 0.000 0.275 734 K C 1.020 177.617 176.600 -0.004 0.000 1.024 734 K CA -0.013 56.270 56.287 -0.006 0.000 0.887 734 K CB 1.352 33.849 32.500 -0.006 0.000 1.084 734 K HN -0.013 nan 8.250 nan 0.000 0.463 735 S N 0.640 116.329 115.700 -0.018 0.000 2.442 735 S HA -0.181 4.294 4.470 0.009 0.000 0.236 735 S C 1.732 176.307 174.600 -0.041 0.000 1.007 735 S CA 1.508 59.689 58.200 -0.032 0.000 0.965 735 S CB -0.287 62.877 63.200 -0.059 0.000 0.773 735 S HN 0.626 nan 8.310 nan 0.000 0.504 736 S N 0.746 116.420 115.700 -0.042 0.000 2.453 736 S HA 0.021 4.496 4.470 0.009 0.000 0.231 736 S C 0.830 175.420 174.600 -0.016 0.000 1.005 736 S CA 0.422 58.593 58.200 -0.049 0.000 0.949 736 S CB -0.994 62.169 63.200 -0.061 0.000 0.774 736 S HN 0.464 nan 8.310 nan 0.000 0.510 737 T N 4.776 119.332 114.554 0.004 0.000 2.851 737 T HA 0.354 4.709 4.350 0.009 0.000 0.298 737 T C -2.633 172.095 174.700 0.048 0.000 0.977 737 T CA -1.097 61.020 62.100 0.029 0.000 1.126 737 T CB 0.885 69.778 68.868 0.040 0.000 0.916 737 T HN 0.133 nan 8.240 nan 0.000 0.529 738 P HA 0.058 nan 4.420 nan 0.000 0.265 738 P C 1.026 178.375 177.300 0.082 0.000 1.187 738 P CA -0.280 62.862 63.100 0.069 0.000 0.766 738 P CB 0.583 32.332 31.700 0.081 0.000 0.820 739 K N 2.863 123.311 120.400 0.080 0.000 2.044 739 K HA -0.197 4.128 4.320 0.009 0.000 0.210 739 K C 1.823 178.478 176.600 0.093 0.000 1.049 739 K CA 2.233 58.575 56.287 0.092 0.000 0.927 739 K CB -0.914 31.646 32.500 0.100 0.000 0.713 739 K HN 0.514 nan 8.250 nan 0.000 0.443 740 A N 0.604 123.487 122.820 0.104 0.000 1.969 740 A HA -0.076 4.250 4.320 0.009 0.000 0.218 740 A C 2.426 180.093 177.584 0.138 0.000 1.169 740 A CA 1.214 53.335 52.037 0.139 0.000 0.635 740 A CB -0.344 18.764 19.000 0.179 0.000 0.810 740 A HN 0.085 nan 8.150 nan 0.000 0.445 741 V N -0.100 119.897 119.914 0.138 0.000 2.379 741 V HA -0.290 3.836 4.120 0.009 0.000 0.245 741 V C 2.577 178.733 176.094 0.104 0.000 1.044 741 V CA 2.068 64.443 62.300 0.124 0.000 1.036 741 V CB -0.925 31.003 31.823 0.175 0.000 0.664 741 V HN 0.625 nan 8.190 nan 0.000 0.453 742 Q N 0.104 119.959 119.800 0.093 0.000 2.077 742 Q HA -0.317 4.029 4.340 0.009 0.000 0.206 742 Q C 2.374 178.409 176.000 0.059 0.000 0.989 742 Q CA 2.255 58.104 55.803 0.077 0.000 0.853 742 Q CB -0.318 28.460 28.738 0.066 0.000 0.907 742 Q HN 0.592 nan 8.270 nan 0.000 0.418 743 K N 0.273 120.705 120.400 0.052 0.000 2.057 743 K HA -0.144 4.181 4.320 0.009 0.000 0.207 743 K C 2.046 178.660 176.600 0.024 0.000 1.049 743 K CA 1.176 57.485 56.287 0.037 0.000 0.931 743 K CB -0.130 32.404 32.500 0.057 0.000 0.714 743 K HN 0.181 nan 8.250 nan 0.000 0.440 744 A N 1.266 124.073 122.820 -0.022 0.000 1.898 744 A HA -0.072 4.253 4.320 0.009 0.000 0.216 744 A C 2.117 179.774 177.584 0.122 0.000 1.181 744 A CA 1.069 53.044 52.037 -0.104 0.000 0.620 744 A CB -0.541 17.872 19.000 -0.979 0.000 0.819 744 A HN 0.314 nan 8.150 nan 0.000 0.442 745 L N -0.656 120.672 121.223 0.175 0.000 2.083 745 L HA -0.197 4.149 4.340 0.009 0.000 0.209 745 L C 2.641 179.585 176.870 0.124 0.000 1.083 745 L CA 1.874 56.842 54.840 0.214 0.000 0.752 745 L CB -0.392 41.810 42.059 0.238 0.000 0.899 745 L HN 0.454 nan 8.230 nan 0.000 0.433 746 K N 0.218 120.645 120.400 0.045 0.000 2.057 746 K HA -0.265 4.061 4.320 0.009 0.000 0.207 746 K C 2.084 178.643 176.600 -0.068 0.000 1.049 746 K CA 1.710 57.979 56.287 -0.030 0.000 0.931 746 K CB 0.067 32.540 32.500 -0.045 0.000 0.714 746 K HN 0.060 nan 8.250 nan 0.000 0.440 747 E N 0.554 120.694 120.200 -0.100 0.000 2.110 747 E HA -0.157 4.199 4.350 0.009 0.000 0.193 747 E C 1.792 178.251 176.600 -0.235 0.000 0.988 747 E CA 1.522 57.766 56.400 -0.259 0.000 0.804 747 E CB -0.430 28.960 29.700 -0.516 0.000 0.745 747 E HN 0.374 nan 8.360 nan 0.000 0.458 748 C N 0.002 119.269 119.300 -0.055 0.000 2.413 748 C HA -0.081 4.385 4.460 0.009 0.000 0.276 748 C C 2.629 177.648 174.990 0.048 0.000 1.236 748 C CA 0.790 59.854 59.018 0.076 0.000 1.735 748 C CB -1.038 26.822 27.740 0.199 0.000 2.031 748 C HN 0.475 nan 8.230 nan 0.000 0.474 749 I N 0.200 120.792 120.570 0.037 0.000 2.179 749 I HA -0.213 3.963 4.170 0.009 0.000 0.242 749 I C 2.880 178.992 176.117 -0.008 0.000 1.088 749 I CA 1.442 62.760 61.300 0.029 0.000 1.357 749 I CB -0.613 37.351 38.000 -0.061 0.000 1.051 749 I HN 0.324 nan 8.210 nan 0.000 0.409 750 R N 1.124 121.586 120.500 -0.064 0.000 2.083 750 R HA -0.199 4.146 4.340 0.009 0.000 0.237 750 R C 2.490 178.762 176.300 -0.046 0.000 1.137 750 R CA 1.709 57.761 56.100 -0.080 0.000 0.951 750 R CB -0.130 30.100 30.300 -0.116 0.000 0.851 750 R HN 0.293 nan 8.270 nan 0.000 0.434 751 R N -0.277 120.195 120.500 -0.048 0.000 2.081 751 R HA -0.096 4.249 4.340 0.009 0.000 0.235 751 R C 2.448 178.763 176.300 0.025 0.000 1.131 751 R CA 1.978 58.071 56.100 -0.011 0.000 0.960 751 R CB -0.260 30.035 30.300 -0.008 0.000 0.856 751 R HN 0.271 nan 8.270 nan 0.000 0.436 752 M N 0.369 119.991 119.600 0.037 0.000 2.065 752 M HA -0.201 4.285 4.480 0.009 0.000 0.259 752 M C 2.156 178.494 176.300 0.063 0.000 1.069 752 M CA 1.785 57.114 55.300 0.049 0.000 1.110 752 M CB -0.264 32.369 32.600 0.054 0.000 1.328 752 M HN 0.138 nan 8.290 nan 0.000 0.405 753 L N -1.091 120.172 121.223 0.067 0.000 2.179 753 L HA -0.149 4.197 4.340 0.009 0.000 0.208 753 L C 2.151 179.057 176.870 0.061 0.000 1.096 753 L CA 1.120 55.999 54.840 0.067 0.000 0.779 753 L CB -0.567 41.510 42.059 0.029 0.000 0.922 753 L HN 0.434 nan 8.230 nan 0.000 0.443 754 Q N -0.938 118.890 119.800 0.046 0.000 2.402 754 Q HA 0.023 4.369 4.340 0.009 0.000 0.231 754 Q C 1.310 177.357 176.000 0.078 0.000 0.888 754 Q CA 0.407 56.253 55.803 0.070 0.000 0.938 754 Q CB 0.755 29.511 28.738 0.030 0.000 1.086 754 Q HN 0.482 nan 8.270 nan 0.000 0.543 755 E N -0.672 119.561 120.200 0.054 0.000 2.399 755 E HA 0.271 4.627 4.350 0.009 0.000 0.206 755 E C 0.385 177.013 176.600 0.047 0.000 0.812 755 E CA 0.340 56.772 56.400 0.053 0.000 1.138 755 E CB 1.592 31.318 29.700 0.044 0.000 1.140 755 E HN 0.225 nan 8.360 nan 0.000 0.536 756 G N 1.357 110.182 108.800 0.042 0.000 2.384 756 G HA2 -0.226 3.739 3.960 0.009 0.000 0.668 756 G HA3 -0.226 3.739 3.960 0.009 0.000 0.668 756 G C 0.093 175.014 174.900 0.034 0.000 1.280 756 G CA -0.091 45.028 45.100 0.033 0.000 0.992 756 G HN 0.108 nan 8.290 nan 0.000 0.512 757 E N -0.392 119.820 120.200 0.021 0.000 2.085 757 E HA -0.190 4.166 4.350 0.009 0.000 0.194 757 E C 2.077 178.700 176.600 0.039 0.000 0.994 757 E CA 1.898 58.309 56.400 0.019 0.000 0.801 757 E CB -0.063 29.634 29.700 -0.004 0.000 0.743 757 E HN 0.583 nan 8.360 nan 0.000 0.453 758 E N -0.082 120.140 120.200 0.036 0.000 2.051 758 E HA -0.197 4.159 4.350 0.009 0.000 0.192 758 E C 2.088 178.737 176.600 0.082 0.000 0.991 758 E CA 1.345 57.775 56.400 0.049 0.000 0.799 758 E CB -0.220 29.500 29.700 0.034 0.000 0.748 758 E HN 0.126 nan 8.360 nan 0.000 0.449 759 S N 0.327 116.075 115.700 0.080 0.000 2.370 759 S HA -0.161 4.314 4.470 0.009 0.000 0.226 759 S C 1.969 176.659 174.600 0.149 0.000 1.033 759 S CA 1.164 59.425 58.200 0.102 0.000 1.011 759 S CB -0.444 62.800 63.200 0.074 0.000 0.852 759 S HN 0.464 nan 8.310 nan 0.000 0.457 760 L N 1.124 122.428 121.223 0.136 0.000 2.017 760 L HA -0.137 4.209 4.340 0.009 0.000 0.208 760 L C 2.343 179.374 176.870 0.269 0.000 1.073 760 L CA 2.103 57.056 54.840 0.188 0.000 0.745 760 L CB -1.299 40.835 42.059 0.125 0.000 0.894 760 L HN 0.492 nan 8.230 nan 0.000 0.432 761 Q N -0.355 119.566 119.800 0.202 0.000 2.124 761 Q HA -0.275 4.071 4.340 0.009 0.000 0.202 761 Q C 2.037 178.201 176.000 0.274 0.000 0.977 761 Q CA 1.947 57.886 55.803 0.226 0.000 0.850 761 Q CB -0.103 28.709 28.738 0.124 0.000 0.901 761 Q HN 0.609 nan 8.270 nan 0.000 0.429 762 E N -0.045 120.289 120.200 0.223 0.000 2.077 762 E HA -0.237 4.119 4.350 0.009 0.000 0.193 762 E C 1.679 178.427 176.600 0.248 0.000 0.989 762 E CA 0.955 57.477 56.400 0.203 0.000 0.800 762 E CB -0.122 29.678 29.700 0.166 0.000 0.746 762 E HN 0.447 nan 8.360 nan 0.000 0.452 763 Y N -0.282 120.130 120.300 0.187 0.000 2.220 763 Y HA -0.170 4.386 4.550 0.009 0.000 0.291 763 Y C 1.992 178.055 175.900 0.272 0.000 1.129 763 Y CA 1.643 59.860 58.100 0.195 0.000 1.161 763 Y CB -0.249 38.312 38.460 0.170 0.000 0.997 763 Y HN 0.173 nan 8.280 nan 0.000 0.522 764 F N 1.236 121.350 119.950 0.273 0.000 2.095 764 F HA -0.221 4.311 4.527 0.009 0.000 0.298 764 F C 2.433 178.354 175.800 0.200 0.000 1.104 764 F CA 2.232 60.409 58.000 0.295 0.000 1.232 764 F CB -0.528 38.681 39.000 0.350 0.000 0.987 764 F HN -0.107 nan 8.300 nan 0.000 0.475 765 K N -0.054 120.462 120.400 0.194 0.000 2.063 765 K HA -0.282 4.044 4.320 0.009 0.000 0.208 765 K C 2.134 178.676 176.600 -0.096 0.000 1.048 765 K CA 1.968 58.285 56.287 0.048 0.000 0.928 765 K CB -0.274 32.314 32.500 0.146 0.000 0.713 765 K HN 0.267 nan 8.250 nan 0.000 0.442 766 E N 0.055 120.199 120.200 -0.094 0.000 2.047 766 E HA -0.148 4.208 4.350 0.009 0.000 0.191 766 E C 1.683 178.152 176.600 -0.218 0.000 0.987 766 E CA 1.169 57.481 56.400 -0.145 0.000 0.799 766 E CB -0.342 29.274 29.700 -0.139 0.000 0.752 766 E HN 0.340 nan 8.360 nan 0.000 0.449 767 F N 1.353 121.015 119.950 -0.480 0.000 2.126 767 F HA -0.188 4.345 4.527 0.009 0.000 0.299 767 F C 2.272 177.858 175.800 -0.356 0.000 1.096 767 F CA 2.051 59.756 58.000 -0.491 0.000 1.255 767 F CB -0.043 38.553 39.000 -0.673 0.000 0.997 767 F HN 0.118 nan 8.300 nan 0.000 0.479 768 E N 0.129 120.085 120.200 -0.407 0.000 2.153 768 E HA -0.284 4.072 4.350 0.009 0.000 0.194 768 E C 2.127 178.673 176.600 -0.089 0.000 0.988 768 E CA 1.255 57.455 56.400 -0.334 0.000 0.811 768 E CB -0.069 29.340 29.700 -0.486 0.000 0.746 768 E HN 0.338 nan 8.360 nan 0.000 0.466 769 K N 0.220 120.525 120.400 -0.157 0.000 2.025 769 K HA -0.103 4.223 4.320 0.009 0.000 0.207 769 K C 1.650 178.136 176.600 -0.190 0.000 1.049 769 K CA 1.506 57.713 56.287 -0.132 0.000 0.933 769 K CB 0.290 32.719 32.500 -0.119 0.000 0.714 769 K HN 0.050 nan 8.250 nan 0.000 0.438 770 E N -0.372 119.683 120.200 -0.241 0.000 2.476 770 E HA -0.028 4.327 4.350 0.009 0.000 0.199 770 E C 1.549 177.921 176.600 -0.379 0.000 1.021 770 E CA 0.060 56.293 56.400 -0.279 0.000 0.907 770 E CB 0.088 29.662 29.700 -0.209 0.000 0.974 770 E HN 0.436 nan 8.360 nan 0.000 0.489 771 F N 1.569 121.149 119.950 -0.617 0.000 2.333 771 F HA 0.033 4.565 4.527 0.009 0.000 0.300 771 F C 1.818 177.415 175.800 -0.338 0.000 1.083 771 F CA 0.643 58.233 58.000 -0.684 0.000 1.395 771 F CB -0.357 37.987 39.000 -1.094 0.000 1.056 771 F HN -0.200 nan 8.300 nan 0.000 0.529 772 R N 0.504 120.255 120.500 -1.250 0.000 2.285 772 R HA -0.070 4.276 4.340 0.009 0.000 0.213 772 R C 1.816 177.768 176.300 -0.579 0.000 1.068 772 R CA 1.221 56.621 56.100 -1.166 0.000 1.004 772 R CB -0.424 29.047 30.300 -1.381 0.000 0.873 772 R HN 0.522 nan 8.270 nan 0.000 0.467 773 Q N 0.147 119.718 119.800 -0.381 0.000 2.389 773 Q HA 0.076 4.422 4.340 0.009 0.000 0.204 773 Q C 0.069 176.020 176.000 -0.080 0.000 0.944 773 Q CA 0.193 55.875 55.803 -0.202 0.000 0.908 773 Q CB 0.249 28.882 28.738 -0.175 0.000 1.002 773 Q HN 0.266 nan 8.270 nan 0.000 0.493 774 L N 2.300 123.493 121.223 -0.050 0.000 2.490 774 L HA -0.020 4.325 4.340 0.009 0.000 0.274 774 L C 0.720 177.648 176.870 0.097 0.000 1.201 774 L CA -0.301 54.563 54.840 0.040 0.000 0.869 774 L CB 0.077 42.185 42.059 0.082 0.000 1.123 774 L HN 0.265 nan 8.230 nan 0.000 0.484 775 N N 2.290 121.041 118.700 0.086 0.000 2.412 775 N HA -0.153 4.593 4.740 0.009 0.000 0.254 775 N C 1.006 176.592 175.510 0.126 0.000 1.232 775 N CA 0.136 53.259 53.050 0.122 0.000 0.880 775 N CB 0.626 39.154 38.487 0.069 0.000 1.076 775 N HN 0.618 nan 8.380 nan 0.000 0.458 776 Y N 3.629 123.946 120.300 0.029 0.000 2.241 776 Y HA -0.157 4.398 4.550 0.009 0.000 0.286 776 Y C 1.910 177.815 175.900 0.010 0.000 1.166 776 Y CA 0.929 59.040 58.100 0.018 0.000 1.203 776 Y CB -0.207 38.248 38.460 -0.009 0.000 0.977 776 Y HN 0.508 nan 8.280 nan 0.000 0.529 777 I N 1.165 121.282 120.570 -0.755 0.000 2.315 777 I HA -0.258 3.918 4.170 0.009 0.000 0.248 777 I C 2.652 178.507 176.117 -0.438 0.000 1.117 777 I CA 1.611 62.441 61.300 -0.784 0.000 1.404 777 I CB -0.460 37.085 38.000 -0.758 0.000 1.071 777 I HN 0.500 nan 8.210 nan 0.000 0.419 778 S N 1.148 116.730 115.700 -0.197 0.000 2.507 778 S HA -0.060 4.415 4.470 0.009 0.000 0.235 778 S C 1.581 176.185 174.600 0.006 0.000 0.988 778 S CA 0.637 58.804 58.200 -0.054 0.000 0.944 778 S CB -0.606 62.602 63.200 0.014 0.000 0.762 778 S HN 0.655 nan 8.310 nan 0.000 0.526 779 I N -1.915 118.656 120.570 0.002 0.000 4.081 779 I HA 0.594 4.770 4.170 0.009 0.000 0.333 779 I C 0.586 176.729 176.117 0.044 0.000 1.413 779 I CA -0.798 60.546 61.300 0.074 0.000 1.110 779 I CB 0.070 38.162 38.000 0.155 0.000 1.082 779 I HN 0.211 nan 8.210 nan 0.000 0.402 780 A N 1.301 124.094 122.820 -0.044 0.000 2.363 780 A HA 0.625 4.951 4.320 0.009 0.000 0.270 780 A C 0.468 178.060 177.584 0.012 0.000 1.121 780 A CA -0.074 51.944 52.037 -0.031 0.000 0.800 780 A CB 0.425 19.302 19.000 -0.204 0.000 1.052 780 A HN 0.357 nan 8.150 nan 0.000 0.493 781 S N -0.116 115.613 115.700 0.048 0.000 2.614 781 S HA 0.473 4.948 4.470 0.009 0.000 0.265 781 S C -0.029 174.585 174.600 0.022 0.000 1.303 781 S CA -0.374 57.851 58.200 0.041 0.000 1.000 781 S CB 0.962 64.191 63.200 0.049 0.000 0.935 781 S HN 0.607 nan 8.310 nan 0.000 0.551 782 V N 1.402 121.298 119.914 -0.028 0.000 2.656 782 V HA 0.760 4.885 4.120 0.009 0.000 0.307 782 V C -0.226 175.772 176.094 -0.160 0.000 1.051 782 V CA -0.485 61.743 62.300 -0.121 0.000 0.893 782 V CB 1.956 33.691 31.823 -0.146 0.000 0.999 782 V HN 0.797 nan 8.190 nan 0.000 0.426 783 S N 2.136 117.703 115.700 -0.221 0.000 2.541 783 S HA 0.566 5.042 4.470 0.009 0.000 0.271 783 S C -0.455 173.990 174.600 -0.259 0.000 1.133 783 S CA -0.416 57.607 58.200 -0.294 0.000 0.876 783 S CB 2.037 64.931 63.200 -0.511 0.000 1.105 783 S HN 0.722 nan 8.310 nan 0.000 0.470 784 S N 2.110 117.675 115.700 -0.225 0.000 2.568 784 S HA 0.535 5.010 4.470 0.009 0.000 0.282 784 S C -0.010 174.553 174.600 -0.061 0.000 1.338 784 S CA -0.070 58.053 58.200 -0.128 0.000 1.045 784 S CB 0.816 63.968 63.200 -0.080 0.000 0.873 784 S HN 0.962 nan 8.310 nan 0.000 0.516 785 A N 3.982 126.816 122.820 0.023 0.000 2.431 785 A HA 0.533 4.859 4.320 0.009 0.000 0.318 785 A C -0.370 177.255 177.584 0.068 0.000 1.330 785 A CA -0.912 51.198 52.037 0.121 0.000 0.804 785 A CB 0.226 19.267 19.000 0.067 0.000 1.135 785 A HN 0.718 nan 8.150 nan 0.000 0.483 786 N N 1.614 120.367 118.700 0.088 0.000 2.384 786 N HA 0.334 5.080 4.740 0.009 0.000 0.301 786 N C -0.377 175.093 175.510 -0.067 0.000 1.133 786 N CA -0.515 52.547 53.050 0.020 0.000 0.853 786 N CB 1.124 39.647 38.487 0.060 0.000 1.241 786 N HN 0.531 nan 8.380 nan 0.000 0.502 787 N N 0.658 119.257 118.700 -0.168 0.000 2.738 787 N HA -0.165 4.580 4.740 0.009 0.000 0.249 787 N C 0.877 176.379 175.510 -0.013 0.000 1.047 787 N CA 0.234 53.166 53.050 -0.196 0.000 0.707 787 N CB -1.066 37.208 38.487 -0.355 0.000 0.937 787 N HN 0.607 nan 8.380 nan 0.000 0.545 788 I N -0.366 120.201 120.570 -0.006 0.000 2.361 788 I HA -0.257 3.918 4.170 0.009 0.000 0.251 788 I C 2.322 178.451 176.117 0.020 0.000 1.133 788 I CA 1.576 62.888 61.300 0.019 0.000 1.413 788 I CB -0.149 37.853 38.000 0.002 0.000 1.073 788 I HN 0.391 nan 8.210 nan 0.000 0.424 789 A N 0.993 123.804 122.820 -0.015 0.000 1.873 789 A HA -0.254 4.071 4.320 0.009 0.000 0.215 789 A C 2.410 179.952 177.584 -0.070 0.000 1.186 789 A CA 1.871 53.891 52.037 -0.029 0.000 0.616 789 A CB -0.572 18.411 19.000 -0.027 0.000 0.823 789 A HN 0.358 nan 8.150 nan 0.000 0.442 790 K N -1.534 118.773 120.400 -0.154 0.000 2.127 790 K HA -0.215 4.111 4.320 0.009 0.000 0.208 790 K C 1.169 177.531 176.600 -0.396 0.000 1.047 790 K CA 2.082 58.167 56.287 -0.337 0.000 0.927 790 K CB -0.309 31.853 32.500 -0.564 0.000 0.716 790 K HN 0.628 nan 8.250 nan 0.000 0.450 791 Y N 0.015 120.278 120.300 -0.062 0.000 2.458 791 Y HA 0.140 4.696 4.550 0.010 0.000 0.256 791 Y C 0.089 175.971 175.900 -0.029 0.000 1.159 791 Y CA -0.585 57.486 58.100 -0.048 0.000 1.261 791 Y CB 0.534 38.950 38.460 -0.073 0.000 1.119 791 Y HN -0.000 nan 8.280 nan 0.000 0.524 792 D N 1.259 121.701 120.400 0.071 0.000 2.339 792 D HA 0.205 4.851 4.640 0.009 0.000 0.241 792 D C -0.919 175.408 176.300 0.045 0.000 1.183 792 D CA 0.166 54.195 54.000 0.048 0.000 0.859 792 D CB 1.178 41.989 40.800 0.017 0.000 1.067 792 D HN -0.133 nan 8.370 nan 0.000 0.484 793 V N 3.615 123.578 119.914 0.081 0.000 2.289 793 V HA 0.397 4.523 4.120 0.009 0.000 0.272 793 V C 1.132 177.312 176.094 0.143 0.000 1.026 793 V CA -0.385 61.969 62.300 0.090 0.000 0.807 793 V CB 0.950 32.826 31.823 0.089 0.000 1.044 793 V HN 0.817 nan 8.190 nan 0.000 0.443 794 G N 3.323 112.186 108.800 0.104 0.000 2.273 794 G HA2 0.030 3.996 3.960 0.009 0.000 0.280 794 G HA3 0.030 3.996 3.960 0.009 0.000 0.280 794 G C 1.137 176.105 174.900 0.115 0.000 1.047 794 G CA 0.625 45.803 45.100 0.130 0.000 0.869 794 G HN 2.184 nan 8.290 nan 0.000 0.502 795 G N -2.756 106.034 108.800 -0.018 0.000 2.179 795 G HA2 -0.138 3.827 3.960 0.009 0.000 0.260 795 G HA3 -0.138 3.827 3.960 0.009 0.000 0.260 795 G C 0.216 174.836 174.900 -0.466 0.000 0.977 795 G CA 0.650 45.605 45.100 -0.242 0.000 0.641 795 G HN 1.319 nan 8.290 nan 0.000 0.533 796 F N 0.316 120.272 119.950 0.010 0.000 2.561 796 F HA 0.617 5.150 4.527 0.010 0.000 0.321 796 F C -2.206 173.603 175.800 0.015 0.000 1.065 796 F CA -2.694 55.310 58.000 0.008 0.000 0.934 796 F CB 1.906 40.909 39.000 0.005 0.000 1.215 796 F HN -0.236 nan 8.300 nan 0.000 0.471 797 P HA 0.138 nan 4.420 nan 0.000 0.267 797 P C 0.029 177.411 177.300 0.138 0.000 1.209 797 P CA 0.082 63.258 63.100 0.127 0.000 0.763 797 P CB 0.350 32.096 31.700 0.078 0.000 0.816 798 G N 4.711 113.605 108.800 0.157 0.000 2.588 798 G HA2 0.391 4.357 3.960 0.009 0.000 0.278 798 G HA3 0.391 4.357 3.960 0.009 0.000 0.278 798 G C -2.474 172.521 174.900 0.157 0.000 1.307 798 G CA -1.257 43.929 45.100 0.142 0.000 1.016 798 G HN 0.294 nan 8.290 nan 0.000 0.503 799 P HA 0.183 nan 4.420 nan 0.000 0.271 799 P C -0.038 177.375 177.300 0.188 0.000 1.218 799 P CA -0.100 63.071 63.100 0.118 0.000 0.780 799 P CB 0.642 32.390 31.700 0.081 0.000 0.901 800 K N -1.854 118.620 120.400 0.123 0.000 3.341 800 K HA -0.184 4.142 4.320 0.009 0.000 0.305 800 K C 0.026 176.603 176.600 -0.039 0.000 1.270 800 K CA 0.360 56.709 56.287 0.104 0.000 0.897 800 K CB -2.171 30.439 32.500 0.182 0.000 1.264 800 K HN 0.618 nan 8.250 nan 0.000 0.468 801 C N 2.521 121.769 119.300 -0.087 0.000 2.638 801 C HA 0.178 4.644 4.460 0.009 0.000 0.410 801 C C -1.503 173.245 174.990 -0.404 0.000 1.404 801 C CA -1.198 57.569 59.018 -0.418 0.000 1.651 801 C CB -0.497 27.159 27.740 -0.140 0.000 2.495 801 C HN 0.191 nan 8.230 nan 0.000 0.606 802 P HA 0.076 nan 4.420 nan 0.000 0.269 802 P C 0.500 177.671 177.300 -0.215 0.000 1.215 802 P CA -0.061 62.836 63.100 -0.338 0.000 0.780 802 P CB 0.246 31.665 31.700 -0.467 0.000 0.898 803 F N 2.458 122.331 119.950 -0.128 0.000 2.126 803 F HA -0.273 4.261 4.527 0.010 0.000 0.299 803 F C 2.438 178.213 175.800 -0.043 0.000 1.096 803 F CA 1.921 59.892 58.000 -0.049 0.000 1.255 803 F CB -0.326 38.688 39.000 0.023 0.000 0.997 803 F HN 0.483 nan 8.300 nan 0.000 0.479 804 H N -0.761 118.349 119.070 0.066 0.000 2.428 804 H HA -0.074 4.487 4.556 0.009 0.000 0.296 804 H C 2.193 177.456 175.328 -0.107 0.000 1.062 804 H CA 1.523 57.555 56.048 -0.027 0.000 1.350 804 H CB -0.928 28.839 29.762 0.009 0.000 1.403 804 H HN 0.243 nan 8.280 nan 0.000 0.533 805 I N 1.601 121.794 120.570 -0.627 0.000 2.315 805 I HA -0.166 4.010 4.170 0.009 0.000 0.248 805 I C 2.851 178.823 176.117 -0.242 0.000 1.117 805 I CA 0.806 61.859 61.300 -0.411 0.000 1.404 805 I CB -0.948 36.764 38.000 -0.480 0.000 1.071 805 I HN 0.230 nan 8.210 nan 0.000 0.419 806 R N 1.228 121.566 120.500 -0.270 0.000 2.091 806 R HA -0.161 4.185 4.340 0.009 0.000 0.238 806 R C 2.395 178.575 176.300 -0.199 0.000 1.136 806 R CA 1.819 57.789 56.100 -0.216 0.000 0.959 806 R CB -0.538 29.600 30.300 -0.270 0.000 0.856 806 R HN 0.373 nan 8.270 nan 0.000 0.437 807 G N 1.028 109.679 108.800 -0.248 0.000 2.440 807 G HA2 -0.252 3.714 3.960 0.009 0.000 0.218 807 G HA3 -0.252 3.714 3.960 0.009 0.000 0.218 807 G C 1.464 176.338 174.900 -0.044 0.000 1.154 807 G CA 1.057 46.062 45.100 -0.158 0.000 0.767 807 G HN 0.312 nan 8.290 nan 0.000 0.552 808 I N 0.300 120.844 120.570 -0.044 0.000 2.252 808 I HA -0.095 4.081 4.170 0.009 0.000 0.245 808 I C 2.701 178.855 176.117 0.061 0.000 1.102 808 I CA 0.563 61.879 61.300 0.027 0.000 1.385 808 I CB -0.179 37.815 38.000 -0.010 0.000 1.064 808 I HN 0.122 nan 8.210 nan 0.000 0.414 809 L N -0.052 121.161 121.223 -0.018 0.000 2.046 809 L HA -0.216 4.130 4.340 0.009 0.000 0.208 809 L C 2.645 179.475 176.870 -0.066 0.000 1.077 809 L CA 1.586 56.395 54.840 -0.051 0.000 0.747 809 L CB -1.102 40.910 42.059 -0.079 0.000 0.896 809 L HN 0.274 nan 8.230 nan 0.000 0.432 810 T N -1.074 113.455 114.554 -0.042 0.000 2.684 810 T HA -0.298 4.058 4.350 0.009 0.000 0.267 810 T C 1.703 176.429 174.700 0.044 0.000 1.036 810 T CA 1.843 63.934 62.100 -0.014 0.000 1.148 810 T CB -0.509 68.343 68.868 -0.027 0.000 0.863 810 T HN 0.323 nan 8.240 nan 0.000 0.436 811 Y N 2.850 123.119 120.300 -0.051 0.000 2.128 811 Y HA -0.222 4.333 4.550 0.008 0.000 0.284 811 Y C 2.197 178.100 175.900 0.005 0.000 1.154 811 Y CA 1.456 59.549 58.100 -0.012 0.000 1.149 811 Y CB -0.576 37.901 38.460 0.027 0.000 0.976 811 Y HN 0.114 nan 8.280 nan 0.000 0.505 812 N N 0.302 119.005 118.700 0.004 0.000 2.149 812 N HA -0.151 4.595 4.740 0.009 0.000 0.188 812 N C 1.825 177.250 175.510 -0.141 0.000 1.019 812 N CA 1.603 54.600 53.050 -0.089 0.000 0.857 812 N CB -0.344 38.133 38.487 -0.017 0.000 0.997 812 N HN 0.459 nan 8.380 nan 0.000 0.426 813 R N 0.288 120.708 120.500 -0.134 0.000 2.090 813 R HA 0.130 4.476 4.340 0.009 0.000 0.228 813 R C 1.990 178.234 176.300 -0.093 0.000 1.110 813 R CA 1.038 57.055 56.100 -0.138 0.000 0.973 813 R CB -0.201 29.984 30.300 -0.190 0.000 0.869 813 R HN 0.169 nan 8.270 nan 0.000 0.440 814 A N 1.597 124.379 122.820 -0.062 0.000 2.014 814 A HA -0.068 4.258 4.320 0.009 0.000 0.218 814 A C 1.972 179.487 177.584 -0.116 0.000 1.163 814 A CA 0.956 52.986 52.037 -0.012 0.000 0.652 814 A CB -0.341 18.776 19.000 0.194 0.000 0.808 814 A HN 0.452 nan 8.150 nan 0.000 0.449 815 I N -4.035 116.391 120.570 -0.239 0.000 3.976 815 I HA 0.276 4.452 4.170 0.009 0.000 0.337 815 I C 0.583 176.615 176.117 -0.143 0.000 1.359 815 I CA -0.457 60.700 61.300 -0.239 0.000 1.098 815 I CB 0.006 37.748 38.000 -0.430 0.000 1.027 815 I HN -0.022 nan 8.210 nan 0.000 0.394 816 K N 2.622 122.952 120.400 -0.117 0.000 2.511 816 K HA 0.059 4.385 4.320 0.009 0.000 0.277 816 K C 1.241 177.811 176.600 -0.051 0.000 1.025 816 K CA 1.566 57.807 56.287 -0.076 0.000 1.112 816 K CB 0.010 32.468 32.500 -0.069 0.000 0.859 816 K HN 0.639 nan 8.250 nan 0.000 0.485 817 G N 3.340 112.120 108.800 -0.033 0.000 2.299 817 G HA2 -0.255 3.711 3.960 0.009 0.000 0.237 817 G HA3 -0.255 3.711 3.960 0.009 0.000 0.237 817 G C 0.041 174.935 174.900 -0.009 0.000 1.027 817 G CA -0.074 45.016 45.100 -0.016 0.000 0.619 817 G HN 0.711 nan 8.290 nan 0.000 0.513 818 N N 1.397 120.085 118.700 -0.019 0.000 2.405 818 N HA 0.317 5.063 4.740 0.009 0.000 0.260 818 N C 1.811 177.328 175.510 0.012 0.000 1.152 818 N CA 0.579 53.624 53.050 -0.007 0.000 0.948 818 N CB 0.750 39.226 38.487 -0.019 0.000 1.111 818 N HN 0.484 nan 8.380 nan 0.000 0.485 819 I N 0.755 121.340 120.570 0.024 0.000 2.546 819 I HA -0.104 4.072 4.170 0.009 0.000 0.255 819 I C 1.330 177.477 176.117 0.050 0.000 1.163 819 I CA 1.152 62.478 61.300 0.042 0.000 1.457 819 I CB -0.369 37.658 38.000 0.045 0.000 1.092 819 I HN 0.381 nan 8.210 nan 0.000 0.434 820 D N 1.667 122.091 120.400 0.039 0.000 2.348 820 D HA 0.246 4.892 4.640 0.009 0.000 0.211 820 D C 1.209 177.548 176.300 0.066 0.000 0.998 820 D CA 0.253 54.280 54.000 0.045 0.000 0.873 820 D CB -0.058 40.761 40.800 0.030 0.000 0.925 820 D HN 0.412 nan 8.370 nan 0.000 0.524 821 A N 1.303 124.159 122.820 0.060 0.000 2.477 821 A HA 0.363 4.689 4.320 0.009 0.000 0.246 821 A C -2.179 175.487 177.584 0.136 0.000 1.078 821 A CA -1.155 50.931 52.037 0.081 0.000 0.770 821 A CB -0.040 18.971 19.000 0.018 0.000 1.011 821 A HN 0.042 nan 8.150 nan 0.000 0.494 822 P HA 0.095 nan 4.420 nan 0.000 0.263 822 P C -0.569 176.892 177.300 0.269 0.000 1.195 822 P CA 0.275 63.503 63.100 0.213 0.000 0.762 822 P CB 0.440 32.279 31.700 0.232 0.000 0.799 823 Q N 1.747 121.652 119.800 0.175 0.000 2.235 823 Q HA 0.282 4.628 4.340 0.009 0.000 0.250 823 Q C -0.227 175.828 176.000 0.093 0.000 0.909 823 Q CA -0.802 55.100 55.803 0.166 0.000 0.910 823 Q CB 1.296 30.090 28.738 0.093 0.000 1.223 823 Q HN 0.191 nan 8.270 nan 0.000 0.432 824 V N 2.793 122.770 119.914 0.104 0.000 2.521 824 V HA 0.071 4.197 4.120 0.009 0.000 0.286 824 V C 0.158 176.237 176.094 -0.025 0.000 1.034 824 V CA -0.224 62.074 62.300 -0.004 0.000 1.045 824 V CB 0.956 32.773 31.823 -0.009 0.000 0.974 824 V HN 0.441 nan 8.190 nan 0.000 0.480 825 V N 4.497 124.367 119.914 -0.073 0.000 2.407 825 V HA 0.244 4.370 4.120 0.009 0.000 0.278 825 V C 0.333 176.390 176.094 -0.061 0.000 1.037 825 V CA -0.806 61.442 62.300 -0.087 0.000 0.900 825 V CB 1.365 33.102 31.823 -0.145 0.000 0.983 825 V HN 0.984 nan 8.190 nan 0.000 0.459 826 E N 4.090 124.268 120.200 -0.037 0.000 2.652 826 E HA 0.271 4.627 4.350 0.009 0.000 0.255 826 E C 1.223 177.811 176.600 -0.019 0.000 0.952 826 E CA 1.399 57.789 56.400 -0.016 0.000 0.947 826 E CB 0.010 29.711 29.700 0.002 0.000 0.912 826 E HN 1.052 nan 8.360 nan 0.000 0.489 827 G N 3.599 112.396 108.800 -0.006 0.000 2.217 827 G HA2 -0.238 3.728 3.960 0.009 0.000 0.246 827 G HA3 -0.238 3.728 3.960 0.009 0.000 0.246 827 G C 0.184 175.059 174.900 -0.041 0.000 0.990 827 G CA 0.282 45.378 45.100 -0.007 0.000 0.627 827 G HN 0.560 nan 8.290 nan 0.000 0.522 828 E N 0.360 120.523 120.200 -0.061 0.000 2.561 828 E HA 0.549 4.904 4.350 0.009 0.000 0.254 828 E C 0.224 176.762 176.600 -0.104 0.000 1.213 828 E CA -0.446 55.904 56.400 -0.085 0.000 0.995 828 E CB 0.715 30.354 29.700 -0.103 0.000 1.233 828 E HN 0.380 nan 8.360 nan 0.000 0.556 829 K N 0.431 120.740 120.400 -0.151 0.000 2.118 829 K HA 0.477 4.803 4.320 0.009 0.000 0.254 829 K C -0.429 175.978 176.600 -0.321 0.000 0.961 829 K CA -0.709 55.446 56.287 -0.221 0.000 0.876 829 K CB 1.744 34.094 32.500 -0.250 0.000 1.077 829 K HN 0.301 nan 8.250 nan 0.000 0.440 830 V N -1.033 118.670 119.914 -0.350 0.000 2.876 830 V HA 0.442 4.568 4.120 0.009 0.000 0.312 830 V C -1.078 174.680 176.094 -0.559 0.000 1.085 830 V CA -1.167 60.860 62.300 -0.455 0.000 0.945 830 V CB 0.870 32.524 31.823 -0.282 0.000 1.017 830 V HN 0.522 nan 8.190 nan 0.000 0.428 831 Y N 1.875 121.700 120.300 -0.792 0.000 2.346 831 Y HA 0.649 5.205 4.550 0.010 0.000 0.330 831 Y C 0.441 175.914 175.900 -0.711 0.000 1.178 831 Y CA -0.496 57.038 58.100 -0.942 0.000 1.331 831 Y CB 1.414 38.803 38.460 -1.785 0.000 1.253 831 Y HN 0.567 nan 8.280 nan 0.000 0.529 832 V N 5.226 125.047 119.914 -0.155 0.000 2.577 832 V HA 0.468 4.594 4.120 0.009 0.000 0.303 832 V C -0.572 175.620 176.094 0.163 0.000 1.042 832 V CA -1.019 61.307 62.300 0.044 0.000 0.872 832 V CB 1.878 33.775 31.823 0.123 0.000 0.998 832 V HN 0.545 nan 8.190 nan 0.000 0.423 833 L N 6.422 127.794 121.223 0.248 0.000 2.381 833 L HA 0.631 4.976 4.340 0.009 0.000 0.268 833 L C -2.476 174.509 176.870 0.193 0.000 0.997 833 L CA -1.813 53.165 54.840 0.231 0.000 0.818 833 L CB 3.427 45.649 42.059 0.272 0.000 1.310 833 L HN 0.420 nan 8.230 nan 0.000 0.416 834 P HA 0.286 nan 4.420 nan 0.000 0.278 834 P C -1.302 176.085 177.300 0.144 0.000 1.238 834 P CA -0.284 62.948 63.100 0.220 0.000 0.794 834 P CB 1.212 33.052 31.700 0.233 0.000 0.955 835 L N 2.488 123.798 121.223 0.145 0.000 2.346 835 L HA 0.488 4.834 4.340 0.009 0.000 0.276 835 L C 1.143 178.136 176.870 0.205 0.000 1.006 835 L CA -1.036 53.907 54.840 0.171 0.000 0.817 835 L CB 1.763 43.905 42.059 0.139 0.000 1.272 835 L HN 0.272 nan 8.230 nan 0.000 0.421 836 R N 1.147 121.822 120.500 0.290 0.000 2.734 836 R HA 0.053 4.398 4.340 0.009 0.000 0.266 836 R C -0.044 176.419 176.300 0.271 0.000 1.044 836 R CA -0.319 55.963 56.100 0.304 0.000 1.128 836 R CB 0.568 31.098 30.300 0.383 0.000 1.010 836 R HN 0.536 nan 8.270 nan 0.000 0.461 837 E N 0.030 120.354 120.200 0.207 0.000 2.442 837 E HA 0.015 4.371 4.350 0.009 0.000 0.262 837 E C 0.639 177.314 176.600 0.126 0.000 1.004 837 E CA 1.280 57.761 56.400 0.135 0.000 0.928 837 E CB 0.347 30.118 29.700 0.118 0.000 0.937 837 E HN 0.723 nan 8.360 nan 0.000 0.446 838 G N 3.225 112.019 108.800 -0.009 0.000 2.143 838 G HA2 -0.341 3.625 3.960 0.009 0.000 0.249 838 G HA3 -0.341 3.625 3.960 0.009 0.000 0.249 838 G C -0.144 174.451 174.900 -0.508 0.000 0.981 838 G CA 0.324 45.362 45.100 -0.104 0.000 0.665 838 G HN 0.820 nan 8.290 nan 0.000 0.528 839 N N 0.227 118.509 118.700 -0.696 0.000 2.444 839 N HA 0.530 5.276 4.740 0.009 0.000 0.255 839 N C -0.764 174.277 175.510 -0.783 0.000 1.255 839 N CA -1.054 51.201 53.050 -1.325 0.000 0.933 839 N CB 0.913 39.000 38.487 -0.667 0.000 1.143 839 N HN 0.073 nan 8.380 nan 0.000 0.453 840 P HA 0.005 nan 4.420 nan 0.000 0.245 840 P C -0.054 176.926 177.300 -0.533 0.000 1.212 840 P CA 0.659 63.402 63.100 -0.595 0.000 0.774 840 P CB -0.071 31.264 31.700 -0.607 0.000 0.999 841 F N 0.202 120.012 119.950 -0.233 0.000 2.743 841 F HA 0.303 4.835 4.527 0.008 0.000 0.297 841 F C 1.942 177.691 175.800 -0.084 0.000 1.131 841 F CA 0.881 58.805 58.000 -0.127 0.000 1.426 841 F CB -0.830 38.114 39.000 -0.093 0.000 1.116 841 F HN 0.040 nan 8.300 nan 0.000 0.583 842 G N 0.465 109.285 108.800 0.033 0.000 2.160 842 G HA2 -0.252 3.714 3.960 0.009 0.000 0.251 842 G HA3 -0.252 3.714 3.960 0.009 0.000 0.251 842 G C -0.305 174.644 174.900 0.081 0.000 1.008 842 G CA 0.481 45.607 45.100 0.045 0.000 0.724 842 G HN 0.374 nan 8.290 nan 0.000 0.514 843 D N -1.714 118.729 120.400 0.072 0.000 2.692 843 D HA 0.302 4.948 4.640 0.009 0.000 0.290 843 D C 1.234 177.554 176.300 0.033 0.000 1.281 843 D CA -0.132 53.898 54.000 0.051 0.000 0.804 843 D CB 0.452 41.277 40.800 0.041 0.000 1.331 843 D HN 0.147 nan 8.370 nan 0.000 0.432 844 K N -0.932 119.475 120.400 0.012 0.000 2.459 844 K HA 0.249 4.574 4.320 0.009 0.000 0.193 844 K C 0.575 177.179 176.600 0.008 0.000 1.030 844 K CA 0.156 56.470 56.287 0.044 0.000 1.026 844 K CB -0.364 32.196 32.500 0.101 0.000 0.809 844 K HN 0.423 nan 8.250 nan 0.000 0.504 845 C N -1.267 117.961 119.300 -0.121 0.000 3.311 845 C HA 0.762 5.228 4.460 0.009 0.000 0.325 845 C C -1.106 173.790 174.990 -0.158 0.000 1.352 845 C CA -1.399 57.516 59.018 -0.171 0.000 1.308 845 C CB 0.777 28.194 27.740 -0.540 0.000 1.619 845 C HN 0.382 nan 8.230 nan 0.000 0.469 846 I N 1.270 121.787 120.570 -0.089 0.000 2.769 846 I HA 0.758 4.934 4.170 0.009 0.000 0.298 846 I C -0.502 175.681 176.117 0.110 0.000 1.128 846 I CA -0.442 60.829 61.300 -0.049 0.000 1.031 846 I CB 2.079 39.953 38.000 -0.211 0.000 1.235 846 I HN 1.290 nan 8.210 nan 0.000 0.423 847 A N 6.016 128.905 122.820 0.115 0.000 2.393 847 A HA 0.779 5.105 4.320 0.009 0.000 0.306 847 A C -1.771 175.812 177.584 -0.001 0.000 1.050 847 A CA -0.452 51.634 52.037 0.082 0.000 0.724 847 A CB 0.888 19.866 19.000 -0.037 0.000 1.248 847 A HN 0.837 nan 8.150 nan 0.000 0.424 848 W N 1.421 122.533 121.300 -0.313 0.000 2.992 848 W HA 0.770 5.435 4.660 0.008 0.000 0.342 848 W C -3.266 173.061 176.519 -0.319 0.000 1.176 848 W CA -2.932 54.066 57.345 -0.578 0.000 1.118 848 W CB 0.410 29.583 29.460 -0.478 0.000 1.457 848 W HN 0.394 nan 8.180 nan 0.000 0.573 849 P HA 0.025 nan 4.420 nan 0.000 0.264 849 P C 0.194 177.208 177.300 -0.476 0.000 1.193 849 P CA 0.340 63.268 63.100 -0.286 0.000 0.763 849 P CB 0.821 32.459 31.700 -0.103 0.000 0.810 850 S N 2.440 117.727 115.700 -0.688 0.000 2.584 850 S HA 0.375 4.850 4.470 0.009 0.000 0.270 850 S C 1.384 175.581 174.600 -0.672 0.000 1.346 850 S CA 0.267 57.763 58.200 -1.172 0.000 1.018 850 S CB -0.236 62.269 63.200 -1.158 0.000 0.899 850 S HN 0.938 nan 8.310 nan 0.000 0.542 851 G N 0.528 108.958 108.800 -0.617 0.000 2.168 851 G HA2 -0.225 3.741 3.960 0.009 0.000 0.263 851 G HA3 -0.225 3.741 3.960 0.009 0.000 0.263 851 G C 0.255 175.226 174.900 0.119 0.000 0.977 851 G CA 0.739 45.764 45.100 -0.126 0.000 0.659 851 G HN 1.848 nan 8.290 nan 0.000 0.533 852 T N -2.447 112.237 114.554 0.217 0.000 2.916 852 T HA 0.676 5.032 4.350 0.009 0.000 0.292 852 T C -0.402 174.599 174.700 0.502 0.000 1.055 852 T CA -0.789 61.488 62.100 0.295 0.000 1.009 852 T CB 2.594 71.609 68.868 0.245 0.000 1.118 852 T HN 0.112 nan 8.240 nan 0.000 0.497 853 E N 1.232 121.637 120.200 0.342 0.000 2.360 853 E HA 0.210 4.566 4.350 0.009 0.000 0.269 853 E C 0.013 176.758 176.600 0.242 0.000 1.022 853 E CA -0.302 56.294 56.400 0.326 0.000 0.887 853 E CB 1.440 31.259 29.700 0.198 0.000 0.990 853 E HN 0.654 nan 8.360 nan 0.000 0.426 854 I N 1.934 122.473 120.570 -0.052 0.000 2.648 854 I HA -0.090 4.086 4.170 0.009 0.000 0.284 854 I C 0.939 177.010 176.117 -0.076 0.000 1.153 854 I CA 0.399 61.469 61.300 -0.385 0.000 1.426 854 I CB 0.793 38.171 38.000 -1.036 0.000 1.381 854 I HN 0.383 nan 8.210 nan 0.000 0.571 855 T N 4.796 119.380 114.554 0.049 0.000 2.923 855 T HA -0.093 4.262 4.350 0.009 0.000 0.304 855 T C 0.988 175.696 174.700 0.014 0.000 1.044 855 T CA 0.029 62.171 62.100 0.069 0.000 1.141 855 T CB 0.212 69.150 68.868 0.117 0.000 1.023 855 T HN 0.681 nan 8.240 nan 0.000 0.533 856 D N 3.615 124.024 120.400 0.015 0.000 2.351 856 D HA -0.052 4.594 4.640 0.009 0.000 0.216 856 D C 2.047 178.348 176.300 0.001 0.000 0.968 856 D CA 0.599 54.597 54.000 -0.004 0.000 0.899 856 D CB 0.004 40.806 40.800 0.003 0.000 0.907 856 D HN 0.582 nan 8.370 nan 0.000 0.514 857 L N 0.377 121.607 121.223 0.012 0.000 2.081 857 L HA -0.159 4.186 4.340 0.009 0.000 0.212 857 L C 2.162 179.044 176.870 0.020 0.000 1.080 857 L CA 1.184 56.029 54.840 0.008 0.000 0.754 857 L CB -0.259 41.801 42.059 0.002 0.000 0.893 857 L HN 0.172 nan 8.230 nan 0.000 0.433 858 I N -6.188 114.406 120.570 0.040 0.000 4.442 858 I HA 0.095 4.271 4.170 0.009 0.000 0.331 858 I C 1.883 178.045 176.117 0.074 0.000 1.364 858 I CA -0.144 61.224 61.300 0.113 0.000 1.207 858 I CB 0.038 38.181 38.000 0.238 0.000 1.298 858 I HN -0.048 nan 8.210 nan 0.000 0.463 859 K N 1.905 122.282 120.400 -0.038 0.000 2.103 859 K HA -0.199 4.127 4.320 0.009 0.000 0.207 859 K C 1.284 177.805 176.600 -0.131 0.000 1.048 859 K CA 2.369 58.560 56.287 -0.160 0.000 0.930 859 K CB 0.028 32.416 32.500 -0.186 0.000 0.716 859 K HN 0.317 nan 8.250 nan 0.000 0.444 860 D N 0.901 121.274 120.400 -0.046 0.000 2.144 860 D HA -0.121 4.524 4.640 0.009 0.000 0.200 860 D C 1.472 177.822 176.300 0.082 0.000 0.978 860 D CA 1.023 55.013 54.000 -0.017 0.000 0.833 860 D CB -0.203 40.584 40.800 -0.021 0.000 0.961 860 D HN 0.259 nan 8.370 nan 0.000 0.470 861 D N -0.037 120.465 120.400 0.171 0.000 2.117 861 D HA -0.086 4.559 4.640 0.009 0.000 0.198 861 D C 2.320 178.954 176.300 0.558 0.000 0.982 861 D CA 0.372 54.601 54.000 0.382 0.000 0.828 861 D CB -0.320 40.646 40.800 0.277 0.000 0.967 861 D HN 0.048 nan 8.370 nan 0.000 0.464 862 V N 1.265 121.400 119.914 0.369 0.000 2.255 862 V HA -0.233 3.893 4.120 0.009 0.000 0.247 862 V C 2.684 178.824 176.094 0.078 0.000 1.051 862 V CA 1.242 63.631 62.300 0.147 0.000 1.018 862 V CB -0.544 31.182 31.823 -0.162 0.000 0.641 862 V HN 0.217 nan 8.190 nan 0.000 0.445 863 L N -0.609 120.591 121.223 -0.038 0.000 2.042 863 L HA -0.252 4.094 4.340 0.009 0.000 0.210 863 L C 2.638 179.538 176.870 0.049 0.000 1.076 863 L CA 2.160 56.965 54.840 -0.059 0.000 0.749 863 L CB -0.904 41.078 42.059 -0.129 0.000 0.893 863 L HN 0.509 nan 8.230 nan 0.000 0.432 864 H N -1.149 117.916 119.070 -0.008 0.000 2.423 864 H HA -0.184 4.377 4.556 0.009 0.000 0.297 864 H C 1.501 176.689 175.328 -0.233 0.000 1.075 864 H CA 1.709 57.675 56.048 -0.136 0.000 1.342 864 H CB 0.132 29.780 29.762 -0.191 0.000 1.395 864 H HN 0.372 nan 8.280 nan 0.000 0.530 865 W N 0.472 121.833 121.300 0.101 0.000 3.220 865 W HA 0.252 4.918 4.660 0.010 0.000 0.328 865 W C 0.517 177.056 176.519 0.032 0.000 1.205 865 W CA -0.583 56.810 57.345 0.081 0.000 1.773 865 W CB 0.245 29.835 29.460 0.217 0.000 1.086 865 W HN -0.088 nan 8.180 nan 0.000 0.622 866 M N 1.853 121.525 119.600 0.120 0.000 2.286 866 M HA -0.115 4.371 4.480 0.009 0.000 0.365 866 M C 0.270 176.528 176.300 -0.070 0.000 1.443 866 M CA 0.954 56.218 55.300 -0.061 0.000 0.951 866 M CB 0.164 32.550 32.600 -0.356 0.000 1.961 866 M HN -0.176 nan 8.290 nan 0.000 0.468 867 D N 3.448 123.850 120.400 0.002 0.000 2.453 867 D HA 0.061 4.707 4.640 0.009 0.000 0.223 867 D C 0.262 176.604 176.300 0.070 0.000 1.183 867 D CA 0.093 54.142 54.000 0.083 0.000 0.933 867 D CB 0.248 41.132 40.800 0.139 0.000 1.038 867 D HN 0.451 nan 8.370 nan 0.000 0.513 868 Y N 1.215 121.592 120.300 0.129 0.000 2.224 868 Y HA -0.196 4.360 4.550 0.010 0.000 0.289 868 Y C 2.522 178.624 175.900 0.337 0.000 1.146 868 Y CA 1.126 59.359 58.100 0.223 0.000 1.182 868 Y CB -0.170 38.308 38.460 0.030 0.000 0.983 868 Y HN 0.301 nan 8.280 nan 0.000 0.524 869 T N -0.707 114.070 114.554 0.372 0.000 2.674 869 T HA -0.171 4.185 4.350 0.009 0.000 0.265 869 T C 2.151 176.958 174.700 0.178 0.000 1.039 869 T CA 1.591 63.852 62.100 0.269 0.000 1.150 869 T CB -0.812 68.169 68.868 0.189 0.000 0.864 869 T HN 0.084 nan 8.240 nan 0.000 0.427 870 V N 1.662 121.667 119.914 0.152 0.000 2.287 870 V HA -0.148 3.978 4.120 0.009 0.000 0.248 870 V C 2.432 178.580 176.094 0.090 0.000 1.053 870 V CA 1.526 63.889 62.300 0.107 0.000 1.027 870 V CB -0.704 31.186 31.823 0.112 0.000 0.646 870 V HN 0.389 nan 8.190 nan 0.000 0.447 871 L N -0.831 120.465 121.223 0.121 0.000 2.013 871 L HA -0.241 4.105 4.340 0.009 0.000 0.212 871 L C 2.363 179.280 176.870 0.078 0.000 1.073 871 L CA 2.007 56.914 54.840 0.112 0.000 0.753 871 L CB -0.231 41.917 42.059 0.149 0.000 0.890 871 L HN 0.331 nan 8.230 nan 0.000 0.432 872 L N -0.394 120.850 121.223 0.034 0.000 2.056 872 L HA -0.199 4.147 4.340 0.009 0.000 0.207 872 L C 2.559 179.439 176.870 0.015 0.000 1.078 872 L CA 1.723 56.479 54.840 -0.141 0.000 0.749 872 L CB -0.699 41.022 42.059 -0.563 0.000 0.901 872 L HN 0.310 nan 8.230 nan 0.000 0.433 873 E N 0.002 120.221 120.200 0.031 0.000 2.051 873 E HA -0.253 4.103 4.350 0.009 0.000 0.192 873 E C 2.206 178.803 176.600 -0.006 0.000 0.991 873 E CA 1.470 57.888 56.400 0.030 0.000 0.799 873 E CB 0.067 29.790 29.700 0.039 0.000 0.748 873 E HN 0.498 nan 8.360 nan 0.000 0.449 874 K N -0.572 119.824 120.400 -0.007 0.000 2.031 874 K HA -0.076 4.250 4.320 0.009 0.000 0.205 874 K C 2.240 178.815 176.600 -0.041 0.000 1.049 874 K CA 1.846 58.107 56.287 -0.042 0.000 0.939 874 K CB -0.099 32.364 32.500 -0.063 0.000 0.717 874 K HN 0.221 nan 8.250 nan 0.000 0.438 875 T N -2.316 112.244 114.554 0.009 0.000 3.044 875 T HA 0.038 4.394 4.350 0.009 0.000 0.255 875 T C 1.475 176.219 174.700 0.072 0.000 1.073 875 T CA 0.163 62.283 62.100 0.034 0.000 1.125 875 T CB -0.005 68.907 68.868 0.073 0.000 0.908 875 T HN 0.111 nan 8.240 nan 0.000 0.480 876 F N 0.806 120.704 119.950 -0.086 0.000 2.536 876 F HA 0.484 5.017 4.527 0.009 0.000 0.278 876 F C 1.741 177.443 175.800 -0.164 0.000 0.945 876 F CA -0.421 57.517 58.000 -0.103 0.000 1.244 876 F CB 0.038 39.024 39.000 -0.023 0.000 1.118 876 F HN -0.053 nan 8.300 nan 0.000 0.725 877 I N 0.772 121.261 120.570 -0.136 0.000 2.179 877 I HA -0.271 3.905 4.170 0.009 0.000 0.242 877 I C 2.385 178.259 176.117 -0.405 0.000 1.088 877 I CA 1.549 62.677 61.300 -0.286 0.000 1.357 877 I CB -0.517 37.482 38.000 -0.002 0.000 1.051 877 I HN 0.140 nan 8.210 nan 0.000 0.409 878 K N 0.887 121.129 120.400 -0.264 0.000 2.032 878 K HA -0.166 4.160 4.320 0.009 0.000 0.209 878 K C -0.506 175.861 176.600 -0.388 0.000 1.048 878 K CA 1.758 57.891 56.287 -0.256 0.000 0.927 878 K CB -0.812 31.593 32.500 -0.159 0.000 0.712 878 K HN 0.152 nan 8.250 nan 0.000 0.441 879 P HA -0.168 nan 4.420 nan 0.000 0.215 879 P C 1.238 177.748 177.300 -1.317 0.000 1.153 879 P CA 0.904 63.553 63.100 -0.752 0.000 0.853 879 P CB 0.036 31.366 31.700 -0.616 0.000 0.788 880 L N 0.375 120.906 121.223 -1.153 0.000 2.046 880 L HA -0.185 4.161 4.340 0.009 0.000 0.208 880 L C 2.322 178.736 176.870 -0.759 0.000 1.077 880 L CA 1.999 56.200 54.840 -1.065 0.000 0.747 880 L CB -1.338 40.092 42.059 -1.048 0.000 0.896 880 L HN -0.127 nan 8.230 nan 0.000 0.432 881 E N -0.419 119.382 120.200 -0.665 0.000 2.085 881 E HA -0.162 4.193 4.350 0.009 0.000 0.194 881 E C 2.122 178.578 176.600 -0.241 0.000 0.994 881 E CA 1.664 57.858 56.400 -0.344 0.000 0.801 881 E CB -0.903 28.665 29.700 -0.220 0.000 0.743 881 E HN 0.483 nan 8.360 nan 0.000 0.453 882 G N -0.504 108.109 108.800 -0.312 0.000 2.421 882 G HA2 -0.237 3.729 3.960 0.009 0.000 0.216 882 G HA3 -0.237 3.729 3.960 0.009 0.000 0.216 882 G C 1.245 176.127 174.900 -0.030 0.000 1.171 882 G CA 0.989 45.994 45.100 -0.159 0.000 0.775 882 G HN 0.270 nan 8.290 nan 0.000 0.543 883 F N 1.992 121.818 119.950 -0.207 0.000 2.102 883 F HA -0.078 4.455 4.527 0.009 0.000 0.298 883 F C 3.184 178.653 175.800 -0.551 0.000 1.105 883 F CA 1.441 59.202 58.000 -0.399 0.000 1.239 883 F CB -1.499 37.275 39.000 -0.376 0.000 0.991 883 F HN 0.281 nan 8.300 nan 0.000 0.474 884 T N -3.212 111.241 114.554 -0.169 0.000 2.857 884 T HA -0.144 4.211 4.350 0.009 0.000 0.266 884 T C 2.220 176.847 174.700 -0.121 0.000 1.048 884 T CA 1.308 63.313 62.100 -0.159 0.000 1.139 884 T CB -0.872 67.971 68.868 -0.041 0.000 0.874 884 T HN 0.226 nan 8.240 nan 0.000 0.455 885 S N 1.646 117.297 115.700 -0.083 0.000 2.368 885 S HA 0.012 4.487 4.470 0.009 0.000 0.225 885 S C 2.465 177.036 174.600 -0.048 0.000 1.030 885 S CA 1.317 59.485 58.200 -0.053 0.000 0.999 885 S CB -0.969 62.210 63.200 -0.034 0.000 0.844 885 S HN 0.734 nan 8.310 nan 0.000 0.459 886 A N 1.250 124.043 122.820 -0.045 0.000 1.902 886 A HA 0.250 4.576 4.320 0.009 0.000 0.217 886 A C 2.368 179.934 177.584 -0.029 0.000 1.181 886 A CA 1.763 53.807 52.037 0.011 0.000 0.623 886 A CB -1.274 17.791 19.000 0.108 0.000 0.818 886 A HN 0.861 nan 8.150 nan 0.000 0.443 887 A N -1.471 121.250 122.820 -0.166 0.000 2.235 887 A HA 0.211 4.536 4.320 0.009 0.000 0.208 887 A C 0.813 178.337 177.584 -0.100 0.000 1.172 887 A CA 0.796 52.741 52.037 -0.153 0.000 0.786 887 A CB -0.260 18.534 19.000 -0.344 0.000 0.804 887 A HN 0.404 nan 8.150 nan 0.000 0.479 888 K N -1.487 118.860 120.400 -0.087 0.000 3.162 888 K HA -0.188 4.137 4.320 0.009 0.000 0.268 888 K C -0.541 176.017 176.600 -0.069 0.000 1.062 888 K CA 1.208 57.454 56.287 -0.069 0.000 0.769 888 K CB -2.787 29.676 32.500 -0.062 0.000 1.274 888 K HN 0.717 nan 8.250 nan 0.000 0.478 889 L N -3.167 118.009 121.223 -0.078 0.000 2.341 889 L HA 0.740 5.086 4.340 0.009 0.000 0.254 889 L C -0.597 176.232 176.870 -0.068 0.000 1.040 889 L CA -0.857 53.942 54.840 -0.068 0.000 0.837 889 L CB 1.529 43.552 42.059 -0.061 0.000 1.425 889 L HN -0.134 nan 8.230 nan 0.000 0.414 890 D N 0.201 120.554 120.400 -0.080 0.000 2.278 890 D HA 0.238 4.883 4.640 0.009 0.000 0.245 890 D C -0.168 176.052 176.300 -0.133 0.000 1.052 890 D CA -0.114 53.800 54.000 -0.143 0.000 0.834 890 D CB 1.793 42.484 40.800 -0.182 0.000 1.194 890 D HN 0.821 nan 8.370 nan 0.000 0.481 891 Y N -0.085 120.073 120.300 -0.236 0.000 2.546 891 Y HA 0.276 4.832 4.550 0.010 0.000 0.287 891 Y C 0.129 175.837 175.900 -0.321 0.000 1.158 891 Y CA -0.017 57.889 58.100 -0.324 0.000 1.307 891 Y CB 0.270 38.385 38.460 -0.575 0.000 1.036 891 Y HN 0.116 nan 8.280 nan 0.000 0.532 892 E N 1.401 121.275 120.200 -0.544 0.000 2.256 892 E HA 0.210 4.565 4.350 0.009 0.000 0.268 892 E C -1.248 175.241 176.600 -0.185 0.000 0.877 892 E CA -1.112 55.100 56.400 -0.313 0.000 0.757 892 E CB 1.940 31.390 29.700 -0.416 0.000 1.183 892 E HN 0.091 nan 8.360 nan 0.000 0.418 893 K N 3.756 124.114 120.400 -0.069 0.000 2.419 893 K HA -0.003 4.322 4.320 0.009 0.000 0.282 893 K C -0.165 176.403 176.600 -0.053 0.000 1.056 893 K CA -0.005 56.255 56.287 -0.044 0.000 1.035 893 K CB 0.276 32.775 32.500 -0.000 0.000 0.921 893 K HN 0.360 nan 8.250 nan 0.000 0.472 894 K N 2.493 122.857 120.400 -0.061 0.000 2.319 894 K HA 0.226 4.551 4.320 0.009 0.000 0.265 894 K C -0.376 176.215 176.600 -0.015 0.000 1.000 894 K CA -0.639 55.619 56.287 -0.048 0.000 0.943 894 K CB 0.825 33.293 32.500 -0.052 0.000 0.950 894 K HN 0.428 nan 8.250 nan 0.000 0.485 895 A N 1.878 124.695 122.820 -0.005 0.000 2.450 895 A HA 0.277 4.603 4.320 0.009 0.000 0.255 895 A C 0.101 177.706 177.584 0.035 0.000 1.096 895 A CA -0.203 51.846 52.037 0.020 0.000 0.778 895 A CB -0.095 18.916 19.000 0.019 0.000 1.031 895 A HN 0.836 nan 8.150 nan 0.000 0.494 896 S N 1.573 117.313 115.700 0.066 0.000 2.751 896 S HA 0.580 5.055 4.470 0.009 0.000 0.310 896 S C 0.350 175.042 174.600 0.153 0.000 1.128 896 S CA -0.648 57.610 58.200 0.097 0.000 0.931 896 S CB 0.670 63.925 63.200 0.091 0.000 1.177 896 S HN 0.385 nan 8.310 nan 0.000 0.530 897 L N 0.045 121.387 121.223 0.198 0.000 2.376 897 L HA 0.296 4.641 4.340 0.009 0.000 0.219 897 L C 1.816 178.875 176.870 0.315 0.000 1.133 897 L CA 1.219 56.191 54.840 0.220 0.000 0.816 897 L CB -1.108 41.069 42.059 0.197 0.000 0.933 897 L HN 0.806 nan 8.230 nan 0.000 0.449 898 F N 0.192 120.226 119.950 0.139 0.000 2.234 898 F HA -0.142 4.390 4.527 0.009 0.000 0.299 898 F C 1.123 177.091 175.800 0.279 0.000 1.087 898 F CA 0.297 58.407 58.000 0.184 0.000 1.340 898 F CB -0.074 38.962 39.000 0.062 0.000 1.031 898 F HN 0.208 nan 8.300 nan 0.000 0.500 899 D N 1.721 122.312 120.400 0.318 0.000 2.325 899 D HA 0.287 4.933 4.640 0.009 0.000 0.251 899 D C -0.489 175.880 176.300 0.116 0.000 1.196 899 D CA -0.123 53.996 54.000 0.198 0.000 0.866 899 D CB 1.221 42.103 40.800 0.137 0.000 1.101 899 D HN 0.098 nan 8.370 nan 0.000 0.476 900 M N -0.330 119.293 119.600 0.039 0.000 2.602 900 M HA 0.585 5.070 4.480 0.009 0.000 0.312 900 M C -1.010 175.267 176.300 -0.039 0.000 1.181 900 M CA -1.001 54.337 55.300 0.063 0.000 0.910 900 M CB 1.714 34.325 32.600 0.018 0.000 1.723 900 M HN 0.163 nan 8.290 nan 0.000 0.459 901 F N 0.019 119.972 119.950 0.005 0.000 2.733 901 F HA 0.374 4.907 4.527 0.009 0.000 0.380 901 F C -0.478 175.347 175.800 0.041 0.000 1.324 901 F CA -0.429 57.568 58.000 -0.006 0.000 1.178 901 F CB 0.622 39.571 39.000 -0.085 0.000 1.093 901 F HN 0.661 nan 8.300 nan 0.000 0.512 902 D N 0.941 121.426 120.400 0.142 0.000 2.425 902 D HA 0.273 4.919 4.640 0.009 0.000 0.240 902 D C -1.160 175.208 176.300 0.112 0.000 1.080 902 D CA 0.004 54.080 54.000 0.127 0.000 0.836 902 D CB 1.474 42.322 40.800 0.079 0.000 1.125 902 D HN 0.044 nan 8.370 nan 0.000 0.525 903 F N 0.000 119.964 119.950 0.024 0.000 2.286 903 F HA 0.000 4.533 4.527 0.010 0.000 0.279 903 F CA 0.000 58.005 58.000 0.008 0.000 1.383 903 F CB 0.000 39.000 39.000 0.000 0.000 1.145 903 F HN 0.000 nan 8.300 nan 0.000 0.574