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 3dmq_1_B DATA FIRST_RESID 2 DATA SEQUENCE PFTLGQRWIS DTESELGLGT VVAVDARTVT LLFPSTGENR LYARSDSPVT DATA SEQUENCE RVXFNPGDTI TSHDGWQXQV EEVKEENGLL TYIGTRLDTE ESGVALREVF DATA SEQUENCE LDSKLVFSKP QDRLFAGQID RXDRFALRYR ARKYSSEQFR XPYSGLRGQR DATA SEQUENCE TSLIPHQLNI AHDVGRRHAP RVLLADEVGL GKTIEAGXIL HQQLLSGAAE DATA SEQUENCE RVLIIVPETL QHQWLVEXLR RFNLRFALFD DERYAEAQHD AYNPFDTEQL DATA SEQUENCE VICSLDFARR SKQRLEHLCE AEWDLLVVDE AHHLVWSEDA PSREYQAIEQ DATA SEQUENCE LAEHVPGVLL LTATPEQLGX ESHFARLRLL DPNRFHDFAQ FVEEQKNYCP DATA SEQUENCE VADAVAXLLA GNKLSNDELN XLGEXIGEQD IEPLLQAANS DSEDAQSARQ DATA SEQUENCE ELVSXLXDRH GTSRVLFRNT RNGVKGFPKR ELHTIKLPLP TQYQTAIKVS DATA SEQUENCE GIXGARKSAE DRARDXLYPE RIYQEFEGDN ATWWNFDPRV EWLXGYLTSH DATA SEQUENCE RSQKVLVICA KAATALQLEQ VLREREGIRA AVFHEGXSII ERDRAAAWFA DATA SEQUENCE EEDTGAQVLL CSEIGSEGRN FQFASHXVXF DLPFNPDLLE QRIGRLDRIG DATA SEQUENCE QAHDIQIHVP YLEKTAQSVL VRWYHEGLDA FEHTCPTGRT IYDSVYNDLI DATA SEQUENCE NYLASPDQTE GFDDLIKNCR EQHEALKAQL EQGRDRLLEI HSNGGEKAQA DATA SEQUENCE LAESIEEQDD DTNLIAFAXN LFDIIGINQD DRGDNXIVLT PSDHXLVPDF DATA SEQUENCE PGLSEDGITI TFDREVALAR EDAQFITWEH PLIRNGLDLI LSGDTGSSTI DATA SEQUENCE SLLKNKALPV GTLLVELIYV VEAQAPKQLQ LNRFLPPTPV RXLLDKNGNN DATA SEQUENCE LAAQVEFETF NRQLNAVNRH TGSKLVNAVQ QDVHAILQLG EAQIEKSARA DATA SEQUENCE LIDAARNEAD EKLSAELSRL EALRAVNPNI RDDELTAIES NRQQVXESLD DATA SEQUENCE QAGWRLDALR L 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.185 177.300 -0.192 0.000 1.155 2 P CA 0.000 62.958 63.100 -0.236 0.000 0.800 2 P CB 0.000 31.639 31.700 -0.101 0.000 0.726 3 F N 0.815 120.747 119.950 -0.031 0.000 2.450 3 F HA 0.612 5.138 4.527 -0.001 0.000 0.339 3 F C 1.196 176.982 175.800 -0.023 0.000 1.146 3 F CA 0.615 58.573 58.000 -0.070 0.000 1.267 3 F CB 0.994 39.885 39.000 -0.183 0.000 1.178 3 F HN 0.042 nan 8.300 nan 0.000 0.585 4 T N 2.491 117.166 114.554 0.202 0.000 3.159 4 T HA 0.268 4.617 4.350 -0.001 0.000 0.343 4 T C -0.984 173.769 174.700 0.088 0.000 1.364 4 T CA -0.818 61.351 62.100 0.115 0.000 1.102 4 T CB 1.244 70.168 68.868 0.095 0.000 1.263 4 T HN 0.241 nan 8.240 nan 0.000 0.477 5 L N 2.796 124.045 121.223 0.045 0.000 2.578 5 L HA 0.354 4.694 4.340 -0.001 0.000 0.279 5 L C 1.580 178.466 176.870 0.028 0.000 1.227 5 L CA 2.473 57.323 54.840 0.017 0.000 0.900 5 L CB -0.117 41.943 42.059 0.001 0.000 1.144 5 L HN 1.152 nan 8.230 nan 0.000 0.496 6 G N 1.511 110.316 108.800 0.009 0.000 2.259 6 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.217 6 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.217 6 G C 0.455 175.385 174.900 0.050 0.000 1.001 6 G CA -0.150 44.949 45.100 -0.002 0.000 0.627 6 G HN 0.535 nan 8.290 nan 0.000 0.501 7 Q N 0.693 120.571 119.800 0.130 0.000 2.395 7 Q HA 0.334 4.673 4.340 -0.001 0.000 0.271 7 Q C 0.052 176.213 176.000 0.268 0.000 1.026 7 Q CA 0.226 56.179 55.803 0.249 0.000 0.900 7 Q CB 0.351 29.386 28.738 0.495 0.000 1.266 7 Q HN 0.212 nan 8.270 nan 0.000 0.430 8 R N 2.619 123.225 120.500 0.177 0.000 2.246 8 R HA 0.302 4.641 4.340 -0.001 0.000 0.332 8 R C -1.262 175.027 176.300 -0.018 0.000 0.974 8 R CA -0.170 55.984 56.100 0.090 0.000 0.837 8 R CB 0.419 30.720 30.300 0.001 0.000 1.145 8 R HN 0.495 nan 8.270 nan 0.000 0.467 9 W N 3.527 124.770 121.300 -0.094 0.000 2.799 9 W HA 0.590 5.249 4.660 -0.001 0.000 0.349 9 W C 0.360 176.836 176.519 -0.073 0.000 1.100 9 W CA -0.832 56.463 57.345 -0.083 0.000 1.174 9 W CB 1.035 30.454 29.460 -0.068 0.000 1.427 9 W HN 0.368 nan 8.180 nan 0.000 0.547 10 I N 0.013 120.682 120.570 0.165 0.000 2.569 10 I HA 0.557 4.726 4.170 -0.001 0.000 0.296 10 I C 0.047 176.268 176.117 0.174 0.000 1.028 10 I CA -1.012 60.377 61.300 0.148 0.000 1.082 10 I CB 1.840 39.885 38.000 0.075 0.000 1.264 10 I HN 0.181 nan 8.210 nan 0.000 0.429 11 S N 2.801 118.631 115.700 0.217 0.000 2.516 11 S HA 0.076 4.545 4.470 -0.001 0.000 0.282 11 S C 0.573 175.238 174.600 0.108 0.000 1.286 11 S CA -0.179 58.113 58.200 0.153 0.000 1.066 11 S CB 0.289 63.613 63.200 0.207 0.000 0.884 11 S HN 0.718 nan 8.310 nan 0.000 0.491 12 D N 2.974 123.418 120.400 0.073 0.000 2.269 12 D HA 0.020 4.660 4.640 -0.001 0.000 0.208 12 D C 1.241 177.591 176.300 0.084 0.000 0.963 12 D CA 1.127 55.180 54.000 0.089 0.000 0.864 12 D CB 0.159 41.011 40.800 0.086 0.000 0.936 12 D HN 0.546 nan 8.370 nan 0.000 0.505 13 T N -0.608 113.989 114.554 0.071 0.000 3.043 13 T HA 0.141 4.490 4.350 -0.001 0.000 0.272 13 T C 0.230 174.963 174.700 0.054 0.000 0.990 13 T CA -0.182 61.956 62.100 0.063 0.000 0.897 13 T CB 0.844 69.746 68.868 0.058 0.000 1.111 13 T HN -0.068 nan 8.240 nan 0.000 0.529 14 E N 0.848 121.085 120.200 0.061 0.000 4.230 14 E HA 0.280 4.630 4.350 -0.001 0.000 0.216 14 E C 0.269 176.901 176.600 0.053 0.000 1.132 14 E CA -0.051 56.369 56.400 0.034 0.000 1.404 14 E CB 0.729 30.430 29.700 0.002 0.000 1.183 14 E HN 0.109 nan 8.360 nan 0.000 0.431 15 S N 1.060 116.805 115.700 0.076 0.000 2.507 15 S HA -0.135 4.334 4.470 -0.001 0.000 0.235 15 S C 1.677 176.321 174.600 0.074 0.000 0.988 15 S CA 0.672 58.930 58.200 0.097 0.000 0.944 15 S CB 0.067 63.333 63.200 0.110 0.000 0.762 15 S HN 0.396 nan 8.310 nan 0.000 0.526 16 E N 1.850 122.073 120.200 0.039 0.000 2.265 16 E HA -0.085 4.265 4.350 -0.001 0.000 0.196 16 E C 1.589 178.193 176.600 0.007 0.000 0.996 16 E CA 0.634 57.045 56.400 0.019 0.000 0.832 16 E CB -0.593 29.105 29.700 -0.003 0.000 0.756 16 E HN 0.489 nan 8.360 nan 0.000 0.491 17 L N 0.457 121.674 121.223 -0.011 0.000 2.313 17 L HA 0.077 4.417 4.340 -0.001 0.000 0.214 17 L C 1.405 178.366 176.870 0.151 0.000 1.119 17 L CA 0.621 55.441 54.840 -0.034 0.000 0.809 17 L CB -0.680 41.158 42.059 -0.368 0.000 0.933 17 L HN 0.324 nan 8.230 nan 0.000 0.449 18 G N 0.231 109.126 108.800 0.158 0.000 2.660 18 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.215 18 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.215 18 G C -0.574 174.439 174.900 0.188 0.000 1.345 18 G CA -0.577 44.608 45.100 0.143 0.000 0.877 18 G HN 0.033 nan 8.290 nan 0.000 0.549 19 L N 1.568 122.851 121.223 0.100 0.000 2.513 19 L HA 0.489 4.828 4.340 -0.001 0.000 0.272 19 L C 1.373 178.269 176.870 0.044 0.000 1.187 19 L CA 0.582 55.459 54.840 0.062 0.000 0.895 19 L CB -0.177 41.892 42.059 0.018 0.000 1.147 19 L HN 1.095 nan 8.230 nan 0.000 0.483 20 G N 2.897 111.679 108.800 -0.030 0.000 2.434 20 G HA2 0.536 4.495 3.960 -0.001 0.000 0.330 20 G HA3 0.536 4.495 3.960 -0.001 0.000 0.330 20 G C -0.921 173.885 174.900 -0.157 0.000 1.155 20 G CA -0.293 44.640 45.100 -0.279 0.000 0.917 20 G HN 0.534 nan 8.290 nan 0.000 0.493 21 T N 0.526 114.951 114.554 -0.215 0.000 2.807 21 T HA 0.380 4.729 4.350 -0.001 0.000 0.279 21 T C 0.117 174.739 174.700 -0.131 0.000 0.993 21 T CA -0.265 61.768 62.100 -0.112 0.000 0.970 21 T CB 1.642 70.442 68.868 -0.113 0.000 0.950 21 T HN 0.335 nan 8.240 nan 0.000 0.441 22 V N 4.556 124.436 119.914 -0.058 0.000 2.521 22 V HA 0.139 4.258 4.120 -0.001 0.000 0.286 22 V C 1.208 177.250 176.094 -0.086 0.000 1.034 22 V CA 0.163 62.403 62.300 -0.099 0.000 1.045 22 V CB 0.772 32.566 31.823 -0.048 0.000 0.974 22 V HN 0.869 nan 8.190 nan 0.000 0.480 23 V N 1.366 121.217 119.914 -0.105 0.000 3.337 23 V HA 0.841 4.960 4.120 -0.001 0.000 0.307 23 V C 0.235 176.286 176.094 -0.072 0.000 1.505 23 V CA 0.313 62.565 62.300 -0.078 0.000 1.072 23 V CB 0.180 31.958 31.823 -0.074 0.000 0.929 23 V HN 1.037 nan 8.190 nan 0.000 0.455 24 A N -0.019 122.745 122.820 -0.094 0.000 2.530 24 A HA 0.761 5.080 4.320 -0.001 0.000 0.297 24 A C -1.311 176.202 177.584 -0.119 0.000 1.059 24 A CA -0.309 51.675 52.037 -0.089 0.000 0.782 24 A CB 1.770 20.716 19.000 -0.090 0.000 1.301 24 A HN 0.690 nan 8.150 nan 0.000 0.394 25 V N 2.718 122.585 119.914 -0.078 0.000 2.525 25 V HA 0.570 4.689 4.120 -0.001 0.000 0.299 25 V C -0.807 175.263 176.094 -0.039 0.000 1.034 25 V CA -0.422 61.834 62.300 -0.074 0.000 0.863 25 V CB 1.647 33.465 31.823 -0.007 0.000 0.999 25 V HN 0.972 nan 8.190 nan 0.000 0.423 26 D N 2.209 122.580 120.400 -0.049 0.000 2.553 26 D HA 0.724 5.363 4.640 -0.001 0.000 0.249 26 D C 1.207 177.511 176.300 0.008 0.000 1.062 26 D CA -0.017 53.974 54.000 -0.015 0.000 1.085 26 D CB 1.702 42.488 40.800 -0.024 0.000 1.350 26 D HN 0.513 nan 8.370 nan 0.000 0.575 27 A N 0.057 122.889 122.820 0.020 0.000 1.948 27 A HA -0.196 4.123 4.320 -0.001 0.000 0.220 27 A C 1.434 179.037 177.584 0.032 0.000 1.177 27 A CA 1.653 53.706 52.037 0.026 0.000 0.636 27 A CB -0.266 18.745 19.000 0.018 0.000 0.815 27 A HN 0.492 nan 8.150 nan 0.000 0.449 28 R N -1.315 119.199 120.500 0.023 0.000 2.549 28 R HA 0.176 4.515 4.340 -0.001 0.000 0.361 28 R C -0.660 175.644 176.300 0.007 0.000 0.969 28 R CA 0.710 56.829 56.100 0.031 0.000 1.158 28 R CB 0.729 31.052 30.300 0.038 0.000 1.456 28 R HN 0.551 nan 8.270 nan 0.000 0.540 29 T N -2.796 111.736 114.554 -0.037 0.000 2.868 29 T HA 0.514 4.864 4.350 -0.001 0.000 0.306 29 T C -1.099 173.474 174.700 -0.210 0.000 1.224 29 T CA -0.774 61.262 62.100 -0.106 0.000 1.012 29 T CB 2.301 71.112 68.868 -0.096 0.000 1.221 29 T HN -0.106 nan 8.240 nan 0.000 0.499 30 V N 0.854 120.567 119.914 -0.335 0.000 2.789 30 V HA 0.797 4.917 4.120 -0.001 0.000 0.311 30 V C -1.073 174.826 176.094 -0.325 0.000 1.073 30 V CA -0.311 61.699 62.300 -0.483 0.000 0.921 30 V CB 2.297 33.441 31.823 -1.131 0.000 1.009 30 V HN 1.229 nan 8.190 nan 0.000 0.426 31 T N 7.594 121.988 114.554 -0.267 0.000 2.792 31 T HA 0.621 4.971 4.350 -0.001 0.000 0.280 31 T C -0.460 174.134 174.700 -0.177 0.000 0.990 31 T CA -0.246 61.745 62.100 -0.181 0.000 0.960 31 T CB 1.243 70.027 68.868 -0.140 0.000 0.939 31 T HN 0.579 nan 8.240 nan 0.000 0.439 32 L N 2.704 123.847 121.223 -0.133 0.000 2.313 32 L HA 0.762 5.102 4.340 -0.001 0.000 0.268 32 L C -1.170 175.544 176.870 -0.260 0.000 1.010 32 L CA -1.249 53.444 54.840 -0.246 0.000 0.814 32 L CB 1.785 43.638 42.059 -0.343 0.000 1.304 32 L HN 0.367 nan 8.230 nan 0.000 0.441 33 L N 1.333 122.312 121.223 -0.406 0.000 2.470 33 L HA 0.465 4.804 4.340 -0.001 0.000 0.268 33 L C -1.429 175.245 176.870 -0.326 0.000 0.964 33 L CA -0.043 54.670 54.840 -0.212 0.000 0.839 33 L CB 1.635 43.645 42.059 -0.083 0.000 1.276 33 L HN 0.175 nan 8.230 nan 0.000 0.403 34 F N 6.402 126.366 119.950 0.023 0.000 2.291 34 F HA 0.478 5.004 4.527 -0.001 0.000 0.368 34 F C -1.535 174.272 175.800 0.011 0.000 1.085 34 F CA -2.375 55.640 58.000 0.025 0.000 1.165 34 F CB 0.480 39.501 39.000 0.035 0.000 1.429 34 F HN 0.398 nan 8.300 nan 0.000 0.503 35 P HA -0.236 nan 4.420 nan 0.000 0.218 35 P C 1.500 178.848 177.300 0.081 0.000 1.154 35 P CA 2.013 65.156 63.100 0.072 0.000 0.872 35 P CB 0.064 31.782 31.700 0.030 0.000 0.790 36 S N -2.891 112.866 115.700 0.095 0.000 2.528 36 S HA -0.071 4.398 4.470 -0.001 0.000 0.244 36 S C 1.308 175.946 174.600 0.062 0.000 0.982 36 S CA 1.627 59.870 58.200 0.071 0.000 0.953 36 S CB -1.027 62.217 63.200 0.073 0.000 0.754 36 S HN 0.188 nan 8.310 nan 0.000 0.529 37 T N -0.936 113.668 114.554 0.082 0.000 3.074 37 T HA 0.445 4.794 4.350 -0.001 0.000 0.258 37 T C 1.177 175.909 174.700 0.053 0.000 0.891 37 T CA 0.187 62.315 62.100 0.046 0.000 0.867 37 T CB 0.479 69.351 68.868 0.007 0.000 1.261 37 T HN 0.610 nan 8.240 nan 0.000 0.537 38 G N 2.472 111.328 108.800 0.093 0.000 2.153 38 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.252 38 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.252 38 G C -0.117 174.839 174.900 0.093 0.000 0.994 38 G CA 0.561 45.709 45.100 0.081 0.000 0.698 38 G HN 0.598 nan 8.290 nan 0.000 0.521 39 E N 0.040 120.317 120.200 0.129 0.000 2.283 39 E HA 0.484 4.834 4.350 -0.001 0.000 0.271 39 E C 0.010 176.780 176.600 0.282 0.000 1.031 39 E CA -0.745 55.717 56.400 0.102 0.000 0.868 39 E CB 0.412 30.080 29.700 -0.054 0.000 1.094 39 E HN 0.388 nan 8.360 nan 0.000 0.401 40 N N 2.140 120.949 118.700 0.181 0.000 2.370 40 N HA 0.453 5.192 4.740 -0.001 0.000 0.303 40 N C -1.141 174.501 175.510 0.221 0.000 1.103 40 N CA -0.722 52.459 53.050 0.218 0.000 0.848 40 N CB 1.348 39.878 38.487 0.072 0.000 1.235 40 N HN 0.235 nan 8.380 nan 0.000 0.496 41 R N 1.332 122.010 120.500 0.297 0.000 2.515 41 R HA 0.343 4.682 4.340 -0.001 0.000 0.291 41 R C -1.478 174.689 176.300 -0.221 0.000 1.046 41 R CA -0.682 55.473 56.100 0.092 0.000 0.914 41 R CB 1.703 32.330 30.300 0.546 0.000 1.191 41 R HN 0.471 nan 8.270 nan 0.000 0.435 42 L N 3.785 124.700 121.223 -0.513 0.000 2.325 42 L HA 0.570 4.909 4.340 -0.001 0.000 0.279 42 L C -1.312 175.040 176.870 -0.863 0.000 1.054 42 L CA -0.381 54.168 54.840 -0.485 0.000 0.804 42 L CB 0.922 42.797 42.059 -0.307 0.000 1.200 42 L HN 0.542 nan 8.230 nan 0.000 0.436 43 Y N 1.626 121.842 120.300 -0.141 0.000 2.544 43 Y HA 0.570 5.119 4.550 -0.001 0.000 0.342 43 Y C 0.271 176.076 175.900 -0.158 0.000 1.062 43 Y CA -0.813 57.210 58.100 -0.128 0.000 1.023 43 Y CB 1.778 40.154 38.460 -0.140 0.000 1.308 43 Y HN 0.693 nan 8.280 nan 0.000 0.457 44 A N 2.700 125.567 122.820 0.078 0.000 2.409 44 A HA 0.343 4.662 4.320 -0.001 0.000 0.262 44 A C 1.007 178.625 177.584 0.057 0.000 1.113 44 A CA -0.449 51.613 52.037 0.041 0.000 0.790 44 A CB 0.363 19.404 19.000 0.069 0.000 1.046 44 A HN 1.011 nan 8.150 nan 0.000 0.496 45 R N 1.730 122.266 120.500 0.061 0.000 2.091 45 R HA -0.170 4.169 4.340 -0.001 0.000 0.238 45 R C 2.489 178.935 176.300 0.243 0.000 1.136 45 R CA 1.830 58.091 56.100 0.268 0.000 0.959 45 R CB -0.424 30.070 30.300 0.324 0.000 0.856 45 R HN 0.936 nan 8.270 nan 0.000 0.437 46 S N 1.155 116.939 115.700 0.140 0.000 2.363 46 S HA -0.237 4.232 4.470 -0.001 0.000 0.218 46 S C 1.751 176.405 174.600 0.089 0.000 1.035 46 S CA 1.722 59.982 58.200 0.101 0.000 1.043 46 S CB -0.534 62.718 63.200 0.086 0.000 0.986 46 S HN 0.284 nan 8.310 nan 0.000 0.423 47 D N 1.981 122.433 120.400 0.086 0.000 2.087 47 D HA -0.057 4.582 4.640 -0.001 0.000 0.201 47 D C 0.604 176.956 176.300 0.088 0.000 0.980 47 D CA 2.311 56.354 54.000 0.072 0.000 0.849 47 D CB -0.440 40.405 40.800 0.074 0.000 1.001 47 D HN 0.774 nan 8.370 nan 0.000 0.452 48 S N -1.096 114.668 115.700 0.105 0.000 3.275 48 S HA -0.139 4.330 4.470 -0.001 0.000 0.385 48 S C -2.288 172.331 174.600 0.032 0.000 0.887 48 S CA 0.246 58.495 58.200 0.081 0.000 1.346 48 S CB -1.934 61.362 63.200 0.160 0.000 0.955 48 S HN 0.222 nan 8.310 nan 0.000 0.587 49 P HA 0.286 nan 4.420 nan 0.000 0.237 49 P C 0.087 177.348 177.300 -0.065 0.000 1.701 49 P CA 0.124 63.224 63.100 -0.000 0.000 0.955 49 P CB -0.194 31.518 31.700 0.020 0.000 1.937 50 V N -2.513 117.411 119.914 0.017 0.000 2.628 50 V HA 0.653 4.772 4.120 -0.001 0.000 0.306 50 V C -0.107 176.227 176.094 0.400 0.000 1.045 50 V CA -0.473 61.918 62.300 0.151 0.000 0.905 50 V CB 2.161 34.030 31.823 0.077 0.000 0.997 50 V HN -0.126 nan 8.190 nan 0.000 0.436 51 T N 3.870 118.628 114.554 0.340 0.000 2.809 51 T HA 0.452 4.802 4.350 -0.001 0.000 0.296 51 T C -0.114 174.420 174.700 -0.277 0.000 1.015 51 T CA -0.344 61.809 62.100 0.089 0.000 0.954 51 T CB 0.837 69.732 68.868 0.045 0.000 0.950 51 T HN 0.869 nan 8.240 nan 0.000 0.450 52 R N 3.745 123.626 120.500 -1.032 0.000 2.458 52 R HA 0.230 4.569 4.340 -0.001 0.000 0.303 52 R C -0.125 175.634 176.300 -0.902 0.000 1.013 52 R CA 0.035 55.048 56.100 -1.812 0.000 1.026 52 R CB -0.651 28.551 30.300 -1.830 0.000 0.948 52 R HN 0.457 nan 8.270 nan 0.000 0.417 56 N N 2.450 121.349 118.700 0.331 0.000 2.508 56 N HA 0.634 5.373 4.740 -0.001 0.000 0.285 56 N C -2.916 172.707 175.510 0.188 0.000 1.144 56 N CA -1.813 51.362 53.050 0.208 0.000 0.978 56 N CB 0.619 39.187 38.487 0.135 0.000 1.180 56 N HN 0.131 nan 8.380 nan 0.000 0.484 57 P HA 0.071 nan 4.420 nan 0.000 0.266 57 P C 0.780 178.124 177.300 0.073 0.000 1.193 57 P CA 0.891 64.052 63.100 0.102 0.000 0.770 57 P CB 0.458 32.197 31.700 0.066 0.000 0.836 58 G N 0.971 109.805 108.800 0.056 0.000 2.175 58 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.244 58 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.244 58 G C -0.309 174.607 174.900 0.028 0.000 0.982 58 G CA -0.327 44.789 45.100 0.027 0.000 0.641 58 G HN 0.542 nan 8.290 nan 0.000 0.527 59 D N 1.119 121.548 120.400 0.048 0.000 2.217 59 D HA 0.504 5.144 4.640 -0.001 0.000 0.243 59 D C -0.033 176.255 176.300 -0.020 0.000 1.054 59 D CA 0.066 54.081 54.000 0.025 0.000 0.838 59 D CB 1.487 42.324 40.800 0.061 0.000 1.162 59 D HN 0.014 nan 8.370 nan 0.000 0.472 60 T N 2.426 116.954 114.554 -0.043 0.000 2.780 60 T HA 0.408 4.758 4.350 -0.001 0.000 0.294 60 T C 0.667 175.276 174.700 -0.153 0.000 0.949 60 T CA -0.388 61.675 62.100 -0.061 0.000 1.074 60 T CB 0.216 69.069 68.868 -0.024 0.000 0.910 60 T HN 0.257 nan 8.240 nan 0.000 0.501 61 I N 0.696 121.164 120.570 -0.169 0.000 2.863 61 I HA 0.801 4.970 4.170 -0.001 0.000 0.311 61 I C 0.130 176.144 176.117 -0.173 0.000 1.026 61 I CA -1.094 60.042 61.300 -0.272 0.000 1.077 61 I CB 2.157 39.948 38.000 -0.348 0.000 1.262 61 I HN 0.504 nan 8.210 nan 0.000 0.461 62 T N 0.055 114.488 114.554 -0.201 0.000 2.807 62 T HA 0.423 4.773 4.350 -0.001 0.000 0.279 62 T C -0.221 174.376 174.700 -0.172 0.000 0.993 62 T CA -0.636 61.374 62.100 -0.150 0.000 0.970 62 T CB 1.463 70.255 68.868 -0.128 0.000 0.950 62 T HN 0.729 nan 8.240 nan 0.000 0.441 63 S N 1.677 117.238 115.700 -0.231 0.000 2.562 63 S HA 0.194 4.663 4.470 -0.001 0.000 0.275 63 S C 1.626 176.152 174.600 -0.123 0.000 1.281 63 S CA -0.595 57.441 58.200 -0.272 0.000 1.045 63 S CB 0.189 62.936 63.200 -0.754 0.000 0.962 63 S HN 0.927 nan 8.310 nan 0.000 0.503 64 H N 3.324 122.249 119.070 -0.243 0.000 2.492 64 H HA -0.082 4.474 4.556 -0.001 0.000 0.296 64 H C 0.855 176.064 175.328 -0.198 0.000 1.095 64 H CA 1.821 57.773 56.048 -0.160 0.000 1.281 64 H CB -0.761 28.959 29.762 -0.070 0.000 1.374 64 H HN 0.659 nan 8.280 nan 0.000 0.545 65 D N -0.084 120.053 120.400 -0.439 0.000 2.234 65 D HA 0.084 4.723 4.640 -0.001 0.000 0.205 65 D C 1.761 177.863 176.300 -0.331 0.000 0.962 65 D CA 1.477 55.177 54.000 -0.500 0.000 0.855 65 D CB 0.208 40.625 40.800 -0.638 0.000 0.951 65 D HN 0.637 nan 8.370 nan 0.000 0.500 66 G N 0.220 108.791 108.800 -0.381 0.000 3.180 66 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.197 66 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.197 66 G C 0.093 174.944 174.900 -0.082 0.000 1.149 66 G CA -0.153 44.856 45.100 -0.151 0.000 0.847 66 G HN 0.162 nan 8.290 nan 0.000 0.469 67 W N 2.038 123.345 121.300 0.013 0.000 2.093 67 W HA 0.763 5.423 4.660 -0.001 0.000 0.352 67 W C 0.261 176.784 176.519 0.007 0.000 1.294 67 W CA -0.010 57.340 57.345 0.008 0.000 1.290 67 W CB -0.282 29.182 29.460 0.006 0.000 1.149 67 W HN 0.345 nan 8.180 nan 0.000 0.606 71 V N 5.295 125.253 119.914 0.074 0.000 2.458 71 V HA -0.024 4.095 4.120 -0.001 0.000 0.287 71 V C 1.278 177.430 176.094 0.096 0.000 1.009 71 V CA 1.030 63.404 62.300 0.124 0.000 1.091 71 V CB 0.647 32.587 31.823 0.195 0.000 0.960 71 V HN 0.741 nan 8.190 nan 0.000 0.476 72 E N 3.395 123.647 120.200 0.086 0.000 2.162 72 E HA 0.094 4.443 4.350 -0.001 0.000 0.193 72 E C 0.419 177.048 176.600 0.048 0.000 0.953 72 E CA 0.423 56.856 56.400 0.055 0.000 0.849 72 E CB 0.518 30.244 29.700 0.043 0.000 0.810 72 E HN 0.919 nan 8.360 nan 0.000 0.470 73 E N 0.222 120.452 120.200 0.051 0.000 2.366 73 E HA 0.430 4.779 4.350 -0.001 0.000 0.278 73 E C -1.143 175.441 176.600 -0.027 0.000 0.923 73 E CA -0.685 55.723 56.400 0.014 0.000 0.761 73 E CB 2.300 32.000 29.700 0.001 0.000 1.231 73 E HN -0.191 nan 8.360 nan 0.000 0.443 74 V N 2.243 122.094 119.914 -0.104 0.000 2.350 74 V HA 0.341 4.460 4.120 -0.001 0.000 0.285 74 V C -0.286 175.673 176.094 -0.225 0.000 1.014 74 V CA -0.784 61.337 62.300 -0.299 0.000 0.831 74 V CB 1.083 32.673 31.823 -0.389 0.000 1.000 74 V HN 0.514 nan 8.190 nan 0.000 0.433 75 K N 3.715 123.991 120.400 -0.206 0.000 2.206 75 K HA 0.530 4.849 4.320 -0.001 0.000 0.264 75 K C -0.273 176.252 176.600 -0.125 0.000 0.967 75 K CA -0.545 55.668 56.287 -0.124 0.000 0.844 75 K CB 2.898 35.358 32.500 -0.067 0.000 1.099 75 K HN 0.750 nan 8.250 nan 0.000 0.441 76 E N 1.684 121.829 120.200 -0.091 0.000 2.280 76 E HA 0.118 4.468 4.350 -0.001 0.000 0.264 76 E C -0.750 175.831 176.600 -0.030 0.000 1.064 76 E CA -0.301 56.059 56.400 -0.066 0.000 0.900 76 E CB 0.861 30.526 29.700 -0.059 0.000 1.123 76 E HN 0.297 nan 8.360 nan 0.000 0.418 77 E N 2.116 122.310 120.200 -0.011 0.000 2.777 77 E HA 0.129 4.478 4.350 -0.001 0.000 0.375 77 E C -1.413 175.197 176.600 0.016 0.000 1.093 77 E CA -0.144 56.259 56.400 0.005 0.000 0.755 77 E CB -0.126 29.583 29.700 0.015 0.000 1.595 77 E HN 0.795 nan 8.360 nan 0.000 0.380 78 N N 0.760 119.467 118.700 0.012 0.000 2.776 78 N HA -0.256 4.484 4.740 -0.001 0.000 0.249 78 N C 0.702 176.228 175.510 0.026 0.000 1.111 78 N CA 0.545 53.606 53.050 0.018 0.000 0.711 78 N CB -0.652 37.850 38.487 0.024 0.000 1.065 78 N HN 0.688 nan 8.380 nan 0.000 0.556 79 G N -1.515 107.298 108.800 0.021 0.000 2.157 79 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.239 79 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.239 79 G C -0.418 174.519 174.900 0.061 0.000 0.982 79 G CA 0.122 45.245 45.100 0.037 0.000 0.650 79 G HN 0.238 nan 8.290 nan 0.000 0.527 80 L N 0.986 122.236 121.223 0.046 0.000 2.362 80 L HA 0.701 5.040 4.340 -0.001 0.000 0.275 80 L C 0.445 177.334 176.870 0.032 0.000 0.998 80 L CA -0.861 54.016 54.840 0.062 0.000 0.820 80 L CB 1.714 43.817 42.059 0.074 0.000 1.270 80 L HN 0.159 nan 8.230 nan 0.000 0.415 81 L N 2.356 123.601 121.223 0.037 0.000 2.334 81 L HA 0.638 4.977 4.340 -0.001 0.000 0.277 81 L C -0.124 176.774 176.870 0.046 0.000 1.075 81 L CA -0.392 54.421 54.840 -0.044 0.000 0.804 81 L CB 1.111 43.100 42.059 -0.116 0.000 1.174 81 L HN 0.511 nan 8.230 nan 0.000 0.438 82 T N 1.268 115.787 114.554 -0.059 0.000 3.008 82 T HA 0.381 4.730 4.350 -0.001 0.000 0.328 82 T C -0.779 173.925 174.700 0.006 0.000 1.020 82 T CA -0.468 61.676 62.100 0.073 0.000 1.043 82 T CB 0.169 69.069 68.868 0.052 0.000 1.010 82 T HN 0.141 nan 8.240 nan 0.000 0.466 83 Y N 2.919 123.251 120.300 0.053 0.000 2.319 83 Y HA 0.528 5.077 4.550 -0.001 0.000 0.328 83 Y C 0.678 176.605 175.900 0.046 0.000 1.133 83 Y CA -1.107 57.026 58.100 0.054 0.000 1.265 83 Y CB 0.321 38.826 38.460 0.075 0.000 1.218 83 Y HN 0.464 nan 8.280 nan 0.000 0.508 84 I N 2.416 123.080 120.570 0.156 0.000 2.474 84 I HA 0.818 4.988 4.170 -0.001 0.000 0.294 84 I C 0.483 176.662 176.117 0.103 0.000 1.005 84 I CA -0.390 60.972 61.300 0.105 0.000 1.113 84 I CB 1.980 40.013 38.000 0.054 0.000 1.289 84 I HN 0.785 nan 8.210 nan 0.000 0.436 85 G N 3.138 111.992 108.800 0.090 0.000 2.500 85 G HA2 0.398 4.357 3.960 -0.001 0.000 0.299 85 G HA3 0.398 4.357 3.960 -0.001 0.000 0.299 85 G C -1.495 173.442 174.900 0.062 0.000 1.242 85 G CA -0.374 44.772 45.100 0.075 0.000 0.859 85 G HN 0.369 nan 8.290 nan 0.000 0.481 86 T N 0.989 115.576 114.554 0.056 0.000 2.770 86 T HA 0.502 4.851 4.350 -0.001 0.000 0.283 86 T C 0.260 174.995 174.700 0.057 0.000 0.988 86 T CA -0.453 61.673 62.100 0.043 0.000 0.957 86 T CB 1.448 70.333 68.868 0.028 0.000 0.930 86 T HN 0.576 nan 8.240 nan 0.000 0.443 87 R N 3.441 123.972 120.500 0.051 0.000 2.458 87 R HA 0.126 4.465 4.340 -0.001 0.000 0.303 87 R C 1.045 177.373 176.300 0.048 0.000 1.013 87 R CA -0.133 56.009 56.100 0.069 0.000 1.026 87 R CB 0.112 30.403 30.300 -0.015 0.000 0.948 87 R HN 0.677 nan 8.270 nan 0.000 0.417 88 L N 3.524 124.793 121.223 0.077 0.000 2.201 88 L HA -0.126 4.214 4.340 -0.001 0.000 0.212 88 L C 0.915 177.810 176.870 0.042 0.000 1.105 88 L CA 1.108 55.983 54.840 0.058 0.000 0.775 88 L CB -0.202 41.898 42.059 0.068 0.000 0.913 88 L HN 0.667 nan 8.230 nan 0.000 0.440 89 D N -1.093 119.331 120.400 0.040 0.000 2.305 89 D HA -0.092 4.547 4.640 -0.001 0.000 0.206 89 D C 1.853 178.133 176.300 -0.033 0.000 0.974 89 D CA 1.341 55.348 54.000 0.012 0.000 0.871 89 D CB 0.197 41.015 40.800 0.030 0.000 0.947 89 D HN 0.330 nan 8.370 nan 0.000 0.516 90 T N -3.422 111.099 114.554 -0.056 0.000 3.016 90 T HA 0.193 4.542 4.350 -0.001 0.000 0.271 90 T C 0.459 175.130 174.700 -0.047 0.000 0.968 90 T CA -0.295 61.761 62.100 -0.072 0.000 0.891 90 T CB 0.154 68.944 68.868 -0.129 0.000 1.149 90 T HN 0.023 nan 8.240 nan 0.000 0.524 91 E N 0.962 121.147 120.200 -0.026 0.000 2.868 91 E HA -0.159 4.191 4.350 -0.001 0.000 0.278 91 E C -0.722 175.867 176.600 -0.019 0.000 1.009 91 E CA 0.508 56.902 56.400 -0.011 0.000 0.856 91 E CB -1.778 27.918 29.700 -0.007 0.000 1.428 91 E HN 0.733 nan 8.360 nan 0.000 0.423 92 E N 1.065 121.244 120.200 -0.035 0.000 2.223 92 E HA 0.307 4.656 4.350 -0.001 0.000 0.282 92 E C -0.205 176.387 176.600 -0.014 0.000 1.046 92 E CA -0.115 56.262 56.400 -0.039 0.000 0.857 92 E CB 1.473 31.127 29.700 -0.076 0.000 1.055 92 E HN 0.060 nan 8.360 nan 0.000 0.409 93 S N 1.786 117.482 115.700 -0.006 0.000 2.687 93 S HA 0.549 5.018 4.470 -0.001 0.000 0.283 93 S C 0.821 175.426 174.600 0.009 0.000 1.170 93 S CA 0.314 58.518 58.200 0.007 0.000 1.008 93 S CB 1.096 64.300 63.200 0.007 0.000 1.026 93 S HN 0.795 nan 8.310 nan 0.000 0.541 94 G N 0.864 109.676 108.800 0.020 0.000 2.147 94 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.244 94 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.244 94 G C -0.070 174.846 174.900 0.027 0.000 1.005 94 G CA 0.144 45.256 45.100 0.021 0.000 0.713 94 G HN 1.057 nan 8.290 nan 0.000 0.515 95 V N 0.466 120.405 119.914 0.043 0.000 2.470 95 V HA 0.614 4.733 4.120 -0.001 0.000 0.276 95 V C 0.910 177.053 176.094 0.081 0.000 1.040 95 V CA -0.057 62.280 62.300 0.062 0.000 1.008 95 V CB 1.156 33.035 31.823 0.093 0.000 0.990 95 V HN 1.163 nan 8.190 nan 0.000 0.477 96 A N 6.596 129.455 122.820 0.065 0.000 2.260 96 A HA 0.809 5.128 4.320 -0.001 0.000 0.308 96 A C -0.826 176.791 177.584 0.055 0.000 1.254 96 A CA -0.385 51.688 52.037 0.059 0.000 0.874 96 A CB 0.265 19.282 19.000 0.028 0.000 1.153 96 A HN 0.690 nan 8.150 nan 0.000 0.527 97 L N 3.271 124.549 121.223 0.091 0.000 2.372 97 L HA 0.418 4.757 4.340 -0.001 0.000 0.274 97 L C 0.245 177.201 176.870 0.144 0.000 0.988 97 L CA 0.012 54.891 54.840 0.064 0.000 0.833 97 L CB 1.752 43.861 42.059 0.083 0.000 1.236 97 L HN 0.735 nan 8.230 nan 0.000 0.410 98 R N 2.307 122.879 120.500 0.119 0.000 2.298 98 R HA 0.141 4.480 4.340 -0.001 0.000 0.310 98 R C 1.194 177.746 176.300 0.421 0.000 1.068 98 R CA -0.323 55.971 56.100 0.323 0.000 0.957 98 R CB 0.933 31.495 30.300 0.436 0.000 1.003 98 R HN 0.800 nan 8.270 nan 0.000 0.454 99 E N 2.584 122.969 120.200 0.309 0.000 2.149 99 E HA -0.330 4.019 4.350 -0.001 0.000 0.215 99 E C 1.462 178.099 176.600 0.062 0.000 1.055 99 E CA 2.148 58.663 56.400 0.193 0.000 0.870 99 E CB -0.379 29.439 29.700 0.198 0.000 0.764 99 E HN 0.441 nan 8.360 nan 0.000 0.463 100 V N 0.058 119.966 119.914 -0.010 0.000 2.794 100 V HA -0.207 3.912 4.120 -0.001 0.000 0.260 100 V C 1.153 176.909 176.094 -0.563 0.000 1.103 100 V CA 1.728 63.844 62.300 -0.307 0.000 1.125 100 V CB -0.744 30.798 31.823 -0.468 0.000 0.702 100 V HN 0.393 nan 8.190 nan 0.000 0.494 101 F N -0.488 119.296 119.950 -0.277 0.000 2.641 101 F HA 0.450 4.976 4.527 -0.001 0.000 0.302 101 F C 0.813 176.208 175.800 -0.675 0.000 1.098 101 F CA -0.538 57.034 58.000 -0.713 0.000 1.318 101 F CB -0.253 38.295 39.000 -0.754 0.000 1.035 101 F HN 0.039 nan 8.300 nan 0.000 0.551 102 L N 0.519 121.629 121.223 -0.189 0.000 2.464 102 L HA 0.113 4.452 4.340 -0.001 0.000 0.264 102 L C 0.434 177.235 176.870 -0.114 0.000 1.199 102 L CA -0.208 54.546 54.840 -0.142 0.000 0.818 102 L CB 0.399 42.406 42.059 -0.088 0.000 1.102 102 L HN -0.031 nan 8.230 nan 0.000 0.473 103 D N 0.713 121.057 120.400 -0.095 0.000 2.350 103 D HA 0.031 4.671 4.640 -0.001 0.000 0.249 103 D C 0.873 177.146 176.300 -0.045 0.000 1.119 103 D CA 0.123 54.091 54.000 -0.054 0.000 0.886 103 D CB 1.690 42.449 40.800 -0.069 0.000 1.195 103 D HN 0.468 nan 8.370 nan 0.000 0.437 104 S N 1.581 117.272 115.700 -0.015 0.000 2.419 104 S HA -0.142 4.327 4.470 -0.001 0.000 0.233 104 S C 0.529 175.133 174.600 0.006 0.000 1.016 104 S CA 1.026 59.231 58.200 0.007 0.000 0.974 104 S CB 0.097 63.316 63.200 0.032 0.000 0.786 104 S HN 0.349 nan 8.310 nan 0.000 0.492 105 K N 2.134 122.526 120.400 -0.014 0.000 2.298 105 K HA 0.272 4.591 4.320 -0.001 0.000 0.280 105 K C -0.541 176.025 176.600 -0.057 0.000 1.032 105 K CA 0.032 56.308 56.287 -0.019 0.000 0.958 105 K CB 0.311 32.799 32.500 -0.019 0.000 0.978 105 K HN -0.027 nan 8.250 nan 0.000 0.472 106 L N 3.828 125.019 121.223 -0.054 0.000 2.426 106 L HA 0.170 4.509 4.340 -0.001 0.000 0.255 106 L C 0.847 177.672 176.870 -0.075 0.000 1.080 106 L CA -0.411 54.353 54.840 -0.126 0.000 0.960 106 L CB -0.175 41.797 42.059 -0.144 0.000 1.326 106 L HN 0.559 nan 8.230 nan 0.000 0.441 107 V N -1.365 118.514 119.914 -0.057 0.000 3.461 107 V HA 0.164 4.283 4.120 -0.001 0.000 0.267 107 V C 0.985 177.161 176.094 0.137 0.000 1.186 107 V CA 0.007 62.327 62.300 0.033 0.000 1.154 107 V CB -0.954 30.880 31.823 0.017 0.000 0.802 107 V HN 0.468 nan 8.190 nan 0.000 0.474 108 F N 0.048 119.980 119.950 -0.029 0.000 2.182 108 F HA -0.273 4.253 4.527 -0.001 0.000 0.318 108 F C 1.772 177.547 175.800 -0.042 0.000 0.197 108 F CA 0.488 58.475 58.000 -0.021 0.000 0.911 108 F CB -1.371 37.648 39.000 0.030 0.000 4.132 108 F HN 0.088 nan 8.300 nan 0.000 0.140 109 S N 0.076 115.999 115.700 0.372 0.000 2.343 109 S HA -0.071 4.399 4.470 -0.001 0.000 0.219 109 S C -0.015 174.634 174.600 0.081 0.000 1.033 109 S CA 1.825 60.112 58.200 0.146 0.000 1.014 109 S CB -0.334 62.937 63.200 0.119 0.000 0.915 109 S HN 0.463 nan 8.310 nan 0.000 0.435 110 K N -0.477 119.956 120.400 0.054 0.000 5.472 110 K HA -0.087 4.232 4.320 -0.001 0.000 0.892 110 K C -2.840 173.757 176.600 -0.005 0.000 1.918 110 K CA 0.100 56.401 56.287 0.023 0.000 1.518 110 K CB -0.673 31.852 32.500 0.042 0.000 2.620 110 K HN 0.130 nan 8.250 nan 0.000 0.228 111 P HA -0.281 nan 4.420 nan 0.000 0.214 111 P C 0.931 178.210 177.300 -0.035 0.000 1.163 111 P CA 1.601 64.665 63.100 -0.059 0.000 0.889 111 P CB 0.140 31.775 31.700 -0.108 0.000 0.790 112 Q N -1.045 118.739 119.800 -0.026 0.000 2.508 112 Q HA -0.126 4.214 4.340 -0.001 0.000 0.214 112 Q C 0.950 176.946 176.000 -0.005 0.000 0.979 112 Q CA 1.484 57.280 55.803 -0.013 0.000 0.911 112 Q CB -1.192 27.545 28.738 -0.001 0.000 0.969 112 Q HN 0.319 nan 8.270 nan 0.000 0.504 113 D N -0.125 120.278 120.400 0.005 0.000 2.422 113 D HA 0.016 4.655 4.640 -0.001 0.000 0.218 113 D C 1.378 177.700 176.300 0.037 0.000 1.047 113 D CA 0.540 54.551 54.000 0.019 0.000 0.885 113 D CB 0.095 40.907 40.800 0.021 0.000 1.035 113 D HN 0.364 nan 8.370 nan 0.000 0.502 114 R N 1.721 122.233 120.500 0.020 0.000 2.310 114 R HA 0.033 4.373 4.340 -0.001 0.000 0.202 114 R C 1.775 178.091 176.300 0.027 0.000 0.933 114 R CA 0.373 56.483 56.100 0.017 0.000 1.054 114 R CB -0.799 29.499 30.300 -0.004 0.000 0.985 114 R HN 0.091 nan 8.270 nan 0.000 0.489 115 L N -1.527 119.720 121.223 0.040 0.000 2.151 115 L HA -0.085 4.255 4.340 -0.001 0.000 0.215 115 L C 0.801 177.762 176.870 0.151 0.000 1.084 115 L CA 1.781 56.658 54.840 0.061 0.000 0.764 115 L CB -1.533 40.555 42.059 0.047 0.000 0.891 115 L HN 0.243 nan 8.230 nan 0.000 0.435 116 F N 1.040 120.970 119.950 -0.034 0.000 2.908 116 F HA 0.751 5.277 4.527 -0.001 0.000 0.328 116 F C 0.671 176.459 175.800 -0.021 0.000 1.211 116 F CA -0.951 57.032 58.000 -0.028 0.000 1.291 116 F CB -0.153 38.828 39.000 -0.031 0.000 0.962 116 F HN 0.189 nan 8.300 nan 0.000 0.505 117 A N -0.249 122.513 122.820 -0.097 0.000 2.281 117 A HA 0.716 5.035 4.320 -0.001 0.000 0.329 117 A C 1.036 178.525 177.584 -0.158 0.000 1.122 117 A CA -0.081 51.884 52.037 -0.119 0.000 0.850 117 A CB 0.121 19.098 19.000 -0.039 0.000 1.207 117 A HN 0.465 nan 8.150 nan 0.000 0.495 118 G N -0.471 108.252 108.800 -0.129 0.000 2.519 118 G HA2 0.173 4.132 3.960 -0.001 0.000 0.161 118 G HA3 0.173 4.132 3.960 -0.001 0.000 0.161 118 G C 0.372 175.228 174.900 -0.073 0.000 1.671 118 G CA -0.081 44.953 45.100 -0.110 0.000 1.028 118 G HN 0.755 nan 8.290 nan 0.000 0.486 119 Q N 0.391 120.163 119.800 -0.046 0.000 2.286 119 Q HA 0.144 4.483 4.340 -0.001 0.000 0.290 119 Q C 0.160 176.148 176.000 -0.021 0.000 1.049 119 Q CA 0.034 55.819 55.803 -0.029 0.000 0.923 119 Q CB 0.809 29.538 28.738 -0.015 0.000 1.183 119 Q HN 0.376 nan 8.270 nan 0.000 0.383 120 I N 0.660 121.218 120.570 -0.019 0.000 3.619 120 I HA 0.416 4.586 4.170 -0.001 0.000 0.284 120 I C -0.109 176.008 176.117 -0.001 0.000 1.240 120 I CA -0.802 60.488 61.300 -0.016 0.000 1.016 120 I CB 0.386 38.370 38.000 -0.028 0.000 1.374 120 I HN 0.473 nan 8.210 nan 0.000 0.553 121 D N 0.564 120.965 120.400 0.002 0.000 2.210 121 D HA 0.285 4.924 4.640 -0.001 0.000 0.249 121 D C -0.152 176.173 176.300 0.041 0.000 1.078 121 D CA -0.515 53.500 54.000 0.025 0.000 0.875 121 D CB 1.142 41.964 40.800 0.036 0.000 1.175 121 D HN 0.425 nan 8.370 nan 0.000 0.440 125 R N 1.180 121.702 120.500 0.037 0.000 2.075 125 R HA 0.063 4.403 4.340 -0.001 0.000 0.226 125 R C 2.052 178.408 176.300 0.093 0.000 1.114 125 R CA 0.976 57.105 56.100 0.047 0.000 0.972 125 R CB -0.882 29.456 30.300 0.064 0.000 0.869 125 R HN 0.275 nan 8.270 nan 0.000 0.437 126 F N 3.149 123.108 119.950 0.015 0.000 2.126 126 F HA 0.000 4.526 4.527 -0.001 0.000 0.299 126 F C 2.232 178.062 175.800 0.048 0.000 1.096 126 F CA 1.054 59.068 58.000 0.024 0.000 1.255 126 F CB -0.752 38.252 39.000 0.006 0.000 0.997 126 F HN 0.125 nan 8.300 nan 0.000 0.479 127 A N 0.029 122.521 122.820 -0.546 0.000 2.194 127 A HA -0.134 4.185 4.320 -0.001 0.000 0.220 127 A C 2.019 179.477 177.584 -0.211 0.000 1.162 127 A CA 1.645 53.359 52.037 -0.539 0.000 0.674 127 A CB -1.110 17.723 19.000 -0.278 0.000 0.789 127 A HN 0.528 nan 8.150 nan 0.000 0.470 128 L N -1.953 119.216 121.223 -0.089 0.000 2.616 128 L HA 0.284 4.624 4.340 -0.001 0.000 0.229 128 L C 2.037 178.992 176.870 0.142 0.000 1.110 128 L CA 0.657 55.527 54.840 0.050 0.000 0.884 128 L CB -0.160 41.887 42.059 -0.021 0.000 1.115 128 L HN 0.387 nan 8.230 nan 0.000 0.481 129 R N -1.895 118.682 120.500 0.129 0.000 2.066 129 R HA -0.150 4.189 4.340 -0.001 0.000 0.224 129 R C 2.184 178.594 176.300 0.184 0.000 1.122 129 R CA 1.179 57.400 56.100 0.201 0.000 0.974 129 R CB -0.396 30.092 30.300 0.312 0.000 0.871 129 R HN 0.379 nan 8.270 nan 0.000 0.435 130 Y N 1.741 122.071 120.300 0.050 0.000 2.165 130 Y HA -0.215 4.334 4.550 -0.001 0.000 0.286 130 Y C 1.924 177.755 175.900 -0.115 0.000 1.155 130 Y CA 1.723 59.820 58.100 -0.004 0.000 1.164 130 Y CB -0.108 38.329 38.460 -0.039 0.000 0.978 130 Y HN -0.007 nan 8.280 nan 0.000 0.513 131 R N 0.144 120.540 120.500 -0.173 0.000 2.075 131 R HA -0.140 4.199 4.340 -0.001 0.000 0.230 131 R C 2.605 178.641 176.300 -0.440 0.000 1.140 131 R CA 1.420 57.272 56.100 -0.413 0.000 0.928 131 R CB -1.119 29.264 30.300 0.139 0.000 0.834 131 R HN 0.391 nan 8.270 nan 0.000 0.429 132 A N 1.489 124.340 122.820 0.053 0.000 1.958 132 A HA -0.207 4.112 4.320 -0.001 0.000 0.221 132 A C 2.100 179.635 177.584 -0.082 0.000 1.178 132 A CA 1.522 53.613 52.037 0.091 0.000 0.642 132 A CB -0.394 18.739 19.000 0.222 0.000 0.816 132 A HN 0.142 nan 8.150 nan 0.000 0.453 133 R N -0.572 119.852 120.500 -0.127 0.000 2.153 133 R HA 0.009 4.348 4.340 -0.001 0.000 0.218 133 R C 2.082 178.233 176.300 -0.248 0.000 1.072 133 R CA 1.362 57.389 56.100 -0.122 0.000 0.990 133 R CB -0.512 29.773 30.300 -0.025 0.000 0.889 133 R HN 0.739 nan 8.270 nan 0.000 0.452 134 K N -0.157 119.936 120.400 -0.512 0.000 2.062 134 K HA -0.104 4.215 4.320 -0.001 0.000 0.205 134 K C 1.558 177.860 176.600 -0.496 0.000 1.051 134 K CA 1.139 57.053 56.287 -0.621 0.000 0.941 134 K CB 0.002 31.882 32.500 -1.034 0.000 0.719 134 K HN 0.034 nan 8.250 nan 0.000 0.440 135 Y N 0.891 120.989 120.300 -0.337 0.000 2.314 135 Y HA -0.131 4.418 4.550 -0.001 0.000 0.293 135 Y C 2.794 178.462 175.900 -0.386 0.000 1.129 135 Y CA 1.004 58.876 58.100 -0.380 0.000 1.201 135 Y CB -0.916 37.261 38.460 -0.473 0.000 0.999 135 Y HN 0.158 nan 8.280 nan 0.000 0.541 136 S N -0.546 115.025 115.700 -0.215 0.000 2.392 136 S HA -0.300 4.169 4.470 -0.001 0.000 0.225 136 S C 2.453 176.922 174.600 -0.218 0.000 1.041 136 S CA 2.179 60.183 58.200 -0.327 0.000 1.100 136 S CB -1.001 62.095 63.200 -0.173 0.000 1.029 136 S HN 0.431 nan 8.310 nan 0.000 0.424 137 S N 0.200 115.904 115.700 0.006 0.000 2.474 137 S HA -0.062 4.407 4.470 -0.001 0.000 0.235 137 S C 1.709 176.325 174.600 0.028 0.000 0.997 137 S CA 1.491 59.774 58.200 0.138 0.000 0.949 137 S CB -0.693 62.557 63.200 0.083 0.000 0.766 137 S HN 0.648 nan 8.310 nan 0.000 0.517 138 E N 1.183 121.332 120.200 -0.085 0.000 2.001 138 E HA -0.122 4.228 4.350 -0.001 0.000 0.195 138 E C 2.204 178.725 176.600 -0.132 0.000 1.002 138 E CA 1.665 57.998 56.400 -0.112 0.000 0.819 138 E CB -0.256 29.368 29.700 -0.126 0.000 0.769 138 E HN 0.378 nan 8.360 nan 0.000 0.454 139 Q N -0.657 118.994 119.800 -0.248 0.000 2.245 139 Q HA -0.040 4.300 4.340 -0.001 0.000 0.201 139 Q C 2.023 177.979 176.000 -0.074 0.000 0.955 139 Q CA 0.466 56.103 55.803 -0.277 0.000 0.870 139 Q CB -0.352 28.012 28.738 -0.624 0.000 0.945 139 Q HN 0.294 nan 8.270 nan 0.000 0.461 140 F N 1.402 121.260 119.950 -0.154 0.000 2.236 140 F HA -0.164 4.362 4.527 -0.001 0.000 0.302 140 F C 1.201 176.947 175.800 -0.089 0.000 1.073 140 F CA 1.038 58.982 58.000 -0.093 0.000 1.336 140 F CB -0.004 38.957 39.000 -0.065 0.000 1.040 140 F HN 0.005 nan 8.300 nan 0.000 0.507 144 Y N 0.848 121.203 120.300 0.091 0.000 2.749 144 Y HA 0.714 5.263 4.550 -0.001 0.000 0.343 144 Y C 0.510 176.442 175.900 0.055 0.000 1.015 144 Y CA -1.251 56.915 58.100 0.110 0.000 1.270 144 Y CB 0.883 39.461 38.460 0.198 0.000 1.097 144 Y HN -0.204 nan 8.280 nan 0.000 0.571 145 S N 0.482 116.250 115.700 0.113 0.000 2.661 145 S HA 0.509 4.978 4.470 -0.001 0.000 0.265 145 S C 1.424 176.028 174.600 0.007 0.000 1.225 145 S CA 0.398 58.633 58.200 0.057 0.000 0.986 145 S CB 0.743 63.959 63.200 0.027 0.000 1.008 145 S HN 1.070 nan 8.310 nan 0.000 0.565 146 G N 0.128 108.882 108.800 -0.077 0.000 2.562 146 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.241 146 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.241 146 G C 0.494 175.389 174.900 -0.008 0.000 1.120 146 G CA 0.718 45.673 45.100 -0.241 0.000 0.673 146 G HN 0.600 nan 8.290 nan 0.000 0.519 147 L N 1.480 122.756 121.223 0.088 0.000 2.715 147 L HA 0.289 4.628 4.340 -0.001 0.000 0.238 147 L C 2.322 179.326 176.870 0.223 0.000 1.212 147 L CA -0.637 54.305 54.840 0.171 0.000 1.017 147 L CB -0.325 41.837 42.059 0.172 0.000 1.269 147 L HN 0.118 nan 8.230 nan 0.000 0.452 148 R N 1.588 122.227 120.500 0.232 0.000 1.860 148 R HA 0.090 4.429 4.340 -0.001 0.000 0.139 148 R C 1.133 177.550 176.300 0.195 0.000 0.745 148 R CA 0.940 57.178 56.100 0.231 0.000 1.556 148 R CB -1.008 29.442 30.300 0.250 0.000 0.584 148 R HN 0.227 nan 8.270 nan 0.000 0.653 149 G N 1.837 110.742 108.800 0.174 0.000 3.428 149 G HA2 0.387 4.346 3.960 -0.001 0.000 0.344 149 G HA3 0.387 4.346 3.960 -0.001 0.000 0.344 149 G C -0.810 174.123 174.900 0.054 0.000 1.256 149 G CA -0.369 44.735 45.100 0.006 0.000 1.209 149 G HN 0.077 nan 8.290 nan 0.000 0.470 150 Q N 0.231 120.131 119.800 0.167 0.000 2.260 150 Q HA 0.387 4.727 4.340 -0.001 0.000 0.238 150 Q C 1.037 177.138 176.000 0.168 0.000 0.948 150 Q CA -0.506 55.408 55.803 0.185 0.000 0.895 150 Q CB 1.619 30.535 28.738 0.298 0.000 1.218 150 Q HN 0.432 nan 8.270 nan 0.000 0.470 151 R N 0.184 120.719 120.500 0.057 0.000 2.541 151 R HA 0.097 4.437 4.340 -0.001 0.000 0.245 151 R C -0.346 175.996 176.300 0.071 0.000 1.154 151 R CA 0.160 56.282 56.100 0.036 0.000 1.179 151 R CB -0.042 30.213 30.300 -0.076 0.000 1.189 151 R HN 0.543 nan 8.270 nan 0.000 0.526 152 T N -1.840 112.807 114.554 0.155 0.000 2.924 152 T HA 0.292 4.641 4.350 -0.001 0.000 0.291 152 T C -0.034 174.628 174.700 -0.064 0.000 1.045 152 T CA -0.449 61.676 62.100 0.043 0.000 1.015 152 T CB 1.907 70.781 68.868 0.010 0.000 1.103 152 T HN 0.080 nan 8.240 nan 0.000 0.496 153 S N 1.344 116.907 115.700 -0.229 0.000 2.596 153 S HA 0.579 5.048 4.470 -0.001 0.000 0.262 153 S C -0.470 173.848 174.600 -0.471 0.000 1.218 153 S CA -0.682 57.212 58.200 -0.510 0.000 0.998 153 S CB -0.012 63.001 63.200 -0.311 0.000 1.060 153 S HN 0.547 nan 8.310 nan 0.000 0.552 154 L N 2.905 123.862 121.223 -0.443 0.000 2.264 154 L HA 0.484 4.824 4.340 -0.001 0.000 0.289 154 L C -0.861 175.912 176.870 -0.162 0.000 1.044 154 L CA -0.297 54.381 54.840 -0.270 0.000 0.807 154 L CB 0.071 41.990 42.059 -0.233 0.000 1.192 154 L HN 0.494 nan 8.230 nan 0.000 0.425 155 I N 1.816 122.310 120.570 -0.127 0.000 2.563 155 I HA 0.390 4.559 4.170 -0.001 0.000 0.281 155 I C -2.263 173.803 176.117 -0.085 0.000 1.110 155 I CA -1.934 59.323 61.300 -0.072 0.000 1.073 155 I CB 1.474 39.442 38.000 -0.054 0.000 1.215 155 I HN 0.127 nan 8.210 nan 0.000 0.460 156 P HA -0.282 nan 4.420 nan 0.000 0.219 156 P C 1.563 178.846 177.300 -0.027 0.000 1.158 156 P CA 2.540 65.626 63.100 -0.023 0.000 0.895 156 P CB -0.213 31.490 31.700 0.005 0.000 0.792 157 H N -0.608 118.432 119.070 -0.051 0.000 2.422 157 H HA -0.122 4.433 4.556 -0.001 0.000 0.298 157 H C 1.536 176.842 175.328 -0.037 0.000 1.098 157 H CA 1.576 57.602 56.048 -0.037 0.000 1.315 157 H CB -0.903 28.848 29.762 -0.019 0.000 1.382 157 H HN 0.288 nan 8.280 nan 0.000 0.523 158 Q N 0.457 119.838 119.800 -0.698 0.000 2.134 158 Q HA 0.113 4.452 4.340 -0.001 0.000 0.195 158 Q C 2.975 178.837 176.000 -0.231 0.000 0.958 158 Q CA 0.635 56.165 55.803 -0.455 0.000 0.840 158 Q CB 0.278 28.744 28.738 -0.453 0.000 0.918 158 Q HN 0.350 nan 8.270 nan 0.000 0.467 159 L N 1.600 122.708 121.223 -0.191 0.000 2.021 159 L HA -0.305 4.035 4.340 -0.001 0.000 0.215 159 L C 2.452 179.276 176.870 -0.075 0.000 1.074 159 L CA 1.204 55.985 54.840 -0.098 0.000 0.760 159 L CB -1.042 40.968 42.059 -0.082 0.000 0.889 159 L HN 0.380 nan 8.230 nan 0.000 0.433 160 N N 1.079 119.726 118.700 -0.088 0.000 2.020 160 N HA -0.263 4.476 4.740 -0.001 0.000 0.199 160 N C 1.805 177.277 175.510 -0.064 0.000 1.059 160 N CA 2.503 55.512 53.050 -0.069 0.000 0.877 160 N CB -0.247 38.204 38.487 -0.060 0.000 1.078 160 N HN 0.074 nan 8.380 nan 0.000 0.452 161 I N 1.895 122.386 120.570 -0.131 0.000 2.094 161 I HA -0.351 3.819 4.170 -0.001 0.000 0.236 161 I C 2.615 178.620 176.117 -0.188 0.000 1.016 161 I CA 2.100 63.238 61.300 -0.270 0.000 1.294 161 I CB -1.281 36.471 38.000 -0.413 0.000 1.006 161 I HN 0.368 nan 8.210 nan 0.000 0.397 162 A N -0.759 121.971 122.820 -0.149 0.000 1.929 162 A HA -0.374 3.945 4.320 -0.001 0.000 0.221 162 A C 2.442 179.989 177.584 -0.062 0.000 1.211 162 A CA 2.706 54.680 52.037 -0.106 0.000 0.657 162 A CB -1.193 17.763 19.000 -0.074 0.000 0.827 162 A HN 0.683 nan 8.150 nan 0.000 0.462 163 H N -0.509 118.504 119.070 -0.095 0.000 2.294 163 H HA -0.105 4.450 4.556 -0.001 0.000 0.306 163 H C 2.059 177.361 175.328 -0.044 0.000 1.065 163 H CA 2.038 58.047 56.048 -0.066 0.000 1.343 163 H CB -0.481 29.218 29.762 -0.105 0.000 1.396 163 H HN 0.593 nan 8.280 nan 0.000 0.506 164 D N 0.124 120.630 120.400 0.178 0.000 2.087 164 D HA -0.145 4.494 4.640 -0.001 0.000 0.192 164 D C 2.368 178.716 176.300 0.079 0.000 0.993 164 D CA 2.383 56.471 54.000 0.147 0.000 0.828 164 D CB -0.373 40.501 40.800 0.124 0.000 0.968 164 D HN 0.190 nan 8.370 nan 0.000 0.448 165 V N 0.604 120.506 119.914 -0.021 0.000 2.223 165 V HA -0.105 4.014 4.120 -0.001 0.000 0.244 165 V C 2.666 178.734 176.094 -0.043 0.000 1.045 165 V CA 2.088 64.352 62.300 -0.060 0.000 1.000 165 V CB -1.419 30.257 31.823 -0.244 0.000 0.635 165 V HN 0.460 nan 8.190 nan 0.000 0.445 166 G N -0.840 107.912 108.800 -0.079 0.000 2.516 166 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.221 166 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.221 166 G C 1.701 176.564 174.900 -0.061 0.000 1.107 166 G CA 0.792 45.845 45.100 -0.077 0.000 0.747 166 G HN 0.432 nan 8.290 nan 0.000 0.567 167 R N -0.102 120.371 120.500 -0.044 0.000 2.148 167 R HA 0.077 4.417 4.340 -0.001 0.000 0.223 167 R C 0.983 177.310 176.300 0.045 0.000 1.088 167 R CA 0.022 56.111 56.100 -0.018 0.000 0.985 167 R CB 0.015 30.337 30.300 0.038 0.000 0.880 167 R HN 0.285 nan 8.270 nan 0.000 0.451 168 R N 0.201 120.738 120.500 0.061 0.000 2.641 168 R HA 0.005 4.344 4.340 -0.001 0.000 0.269 168 R C 1.085 177.454 176.300 0.115 0.000 1.074 168 R CA 0.001 56.166 56.100 0.108 0.000 1.133 168 R CB 0.352 30.703 30.300 0.085 0.000 1.029 168 R HN 0.333 nan 8.270 nan 0.000 0.488 169 H N 0.157 119.232 119.070 0.008 0.000 2.547 169 H HA 0.172 4.727 4.556 -0.001 0.000 0.272 169 H C -0.090 175.243 175.328 0.009 0.000 0.971 169 H CA 0.522 56.572 56.048 0.004 0.000 1.245 169 H CB 0.486 30.248 29.762 0.001 0.000 1.440 169 H HN 0.496 nan 8.280 nan 0.000 0.540 170 A N 2.546 124.977 122.820 -0.649 0.000 3.056 170 A HA 0.424 4.743 4.320 -0.001 0.000 0.328 170 A C -2.650 174.825 177.584 -0.182 0.000 1.233 170 A CA -1.525 50.224 52.037 -0.480 0.000 0.965 170 A CB 0.011 18.658 19.000 -0.589 0.000 1.123 170 A HN 0.124 nan 8.150 nan 0.000 0.502 171 P HA 0.164 nan 4.420 nan 0.000 0.265 171 P C -0.340 176.949 177.300 -0.020 0.000 1.222 171 P CA 0.330 63.407 63.100 -0.038 0.000 0.767 171 P CB 0.428 32.106 31.700 -0.036 0.000 0.801 172 R N 3.249 123.758 120.500 0.015 0.000 2.644 172 R HA 0.357 4.696 4.340 -0.001 0.000 0.271 172 R C -0.428 175.920 176.300 0.081 0.000 1.687 172 R CA -0.356 55.759 56.100 0.026 0.000 1.655 172 R CB 0.739 31.037 30.300 -0.004 0.000 1.285 172 R HN 0.331 nan 8.270 nan 0.000 0.643 173 V N -1.692 118.287 119.914 0.108 0.000 3.103 173 V HA 0.658 4.778 4.120 -0.001 0.000 0.311 173 V C -1.036 175.158 176.094 0.166 0.000 1.322 173 V CA -1.173 61.244 62.300 0.194 0.000 1.063 173 V CB 2.749 34.815 31.823 0.406 0.000 1.090 173 V HN 0.194 nan 8.190 nan 0.000 0.462 174 L N 1.489 122.854 121.223 0.235 0.000 2.381 174 L HA 0.705 5.044 4.340 -0.001 0.000 0.268 174 L C -1.561 175.454 176.870 0.242 0.000 0.997 174 L CA -0.623 54.325 54.840 0.181 0.000 0.818 174 L CB 1.681 43.818 42.059 0.131 0.000 1.310 174 L HN 0.789 nan 8.230 nan 0.000 0.416 175 L N 5.461 126.777 121.223 0.154 0.000 2.328 175 L HA 0.435 4.774 4.340 -0.001 0.000 0.280 175 L C 1.441 178.397 176.870 0.142 0.000 1.111 175 L CA 0.292 55.216 54.840 0.140 0.000 0.909 175 L CB 0.499 42.609 42.059 0.085 0.000 1.277 175 L HN 0.834 nan 8.230 nan 0.000 0.433 176 A N 0.970 123.888 122.820 0.164 0.000 1.930 176 A HA -0.059 4.260 4.320 -0.001 0.000 0.215 176 A C 0.768 178.420 177.584 0.113 0.000 1.176 176 A CA 0.099 52.204 52.037 0.113 0.000 0.632 176 A CB -0.410 18.620 19.000 0.051 0.000 0.819 176 A HN 0.649 nan 8.150 nan 0.000 0.445 177 D N 1.874 122.354 120.400 0.132 0.000 4.262 177 D HA -0.064 4.576 4.640 -0.001 0.000 0.186 177 D C 0.691 177.055 176.300 0.107 0.000 1.090 177 D CA 0.593 54.670 54.000 0.128 0.000 0.711 177 D CB 0.211 41.095 40.800 0.140 0.000 1.194 177 D HN 0.326 nan 8.370 nan 0.000 0.627 178 E N 0.946 121.203 120.200 0.095 0.000 2.494 178 E HA -0.022 4.327 4.350 -0.001 0.000 0.262 178 E C -0.046 176.595 176.600 0.070 0.000 1.294 178 E CA -0.092 56.354 56.400 0.076 0.000 1.062 178 E CB 0.486 30.221 29.700 0.059 0.000 0.982 178 E HN 0.155 nan 8.360 nan 0.000 0.495 179 V N 0.331 120.274 119.914 0.049 0.000 2.637 179 V HA 0.346 4.465 4.120 -0.001 0.000 0.296 179 V C 1.391 177.499 176.094 0.023 0.000 1.046 179 V CA 0.787 63.109 62.300 0.037 0.000 1.066 179 V CB 0.524 32.360 31.823 0.023 0.000 0.968 179 V HN 0.913 nan 8.190 nan 0.000 0.483 180 G N 3.472 112.295 108.800 0.038 0.000 2.175 180 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.244 180 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.244 180 G C 0.298 175.288 174.900 0.151 0.000 0.982 180 G CA 0.191 45.320 45.100 0.049 0.000 0.641 180 G HN 0.652 nan 8.290 nan 0.000 0.527 181 L N 0.673 121.986 121.223 0.150 0.000 2.653 181 L HA 0.447 4.786 4.340 -0.001 0.000 0.231 181 L C 1.943 178.941 176.870 0.213 0.000 1.153 181 L CA 0.358 55.337 54.840 0.232 0.000 0.933 181 L CB -0.035 42.141 42.059 0.196 0.000 1.175 181 L HN 0.822 nan 8.230 nan 0.000 0.473 182 G N 1.810 110.684 108.800 0.123 0.000 2.305 182 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.287 182 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.287 182 G C 1.096 176.009 174.900 0.020 0.000 1.036 182 G CA 0.909 46.038 45.100 0.049 0.000 0.887 182 G HN 0.684 nan 8.290 nan 0.000 0.505 183 K N -0.940 119.485 120.400 0.041 0.000 2.283 183 K HA -0.101 4.219 4.320 -0.001 0.000 0.202 183 K C 2.320 178.927 176.600 0.011 0.000 1.048 183 K CA 1.825 58.134 56.287 0.037 0.000 0.948 183 K CB -0.534 32.008 32.500 0.071 0.000 0.742 183 K HN 0.563 nan 8.250 nan 0.000 0.458 184 T N 0.041 114.569 114.554 -0.043 0.000 2.777 184 T HA -0.086 4.263 4.350 -0.001 0.000 0.266 184 T C 1.887 176.488 174.700 -0.165 0.000 1.040 184 T CA 0.821 62.813 62.100 -0.179 0.000 1.141 184 T CB -0.296 68.348 68.868 -0.373 0.000 0.868 184 T HN 0.056 nan 8.240 nan 0.000 0.444 185 I N 2.396 122.904 120.570 -0.104 0.000 2.113 185 I HA -0.103 4.066 4.170 -0.001 0.000 0.238 185 I C 2.679 178.862 176.117 0.110 0.000 1.070 185 I CA 1.363 62.654 61.300 -0.016 0.000 1.332 185 I CB -0.874 37.106 38.000 -0.034 0.000 1.044 185 I HN 0.328 nan 8.210 nan 0.000 0.402 186 E N 0.935 121.145 120.200 0.017 0.000 2.065 186 E HA -0.333 4.017 4.350 -0.001 0.000 0.201 186 E C 2.266 178.865 176.600 -0.001 0.000 1.016 186 E CA 1.601 57.989 56.400 -0.020 0.000 0.818 186 E CB -0.578 29.081 29.700 -0.069 0.000 0.749 186 E HN 0.526 nan 8.360 nan 0.000 0.453 187 A N 2.025 124.863 122.820 0.029 0.000 1.891 187 A HA -0.219 4.100 4.320 -0.001 0.000 0.221 187 A C 1.755 179.374 177.584 0.058 0.000 1.394 187 A CA 2.001 54.077 52.037 0.064 0.000 0.730 187 A CB -1.819 17.273 19.000 0.152 0.000 0.845 187 A HN 0.365 nan 8.150 nan 0.000 0.471 191 L N 1.215 122.378 121.223 -0.101 0.000 1.956 191 L HA -0.209 4.131 4.340 -0.001 0.000 0.216 191 L C 2.394 179.255 176.870 -0.015 0.000 1.073 191 L CA 2.717 57.543 54.840 -0.023 0.000 0.762 191 L CB -1.514 40.578 42.059 0.054 0.000 0.889 191 L HN 0.439 nan 8.230 nan 0.000 0.433 192 H N 0.213 119.114 119.070 -0.281 0.000 2.385 192 H HA -0.346 4.209 4.556 -0.001 0.000 0.291 192 H C 2.321 177.604 175.328 -0.075 0.000 1.073 192 H CA 2.439 58.364 56.048 -0.205 0.000 1.142 192 H CB -0.138 29.372 29.762 -0.420 0.000 1.377 192 H HN 0.535 nan 8.280 nan 0.000 0.567 193 Q N 0.147 119.800 119.800 -0.244 0.000 2.103 193 Q HA -0.338 4.001 4.340 -0.001 0.000 0.213 193 Q C 2.348 178.269 176.000 -0.131 0.000 1.008 193 Q CA 2.214 57.868 55.803 -0.248 0.000 0.879 193 Q CB -0.661 27.977 28.738 -0.165 0.000 0.946 193 Q HN 0.500 nan 8.270 nan 0.000 0.413 194 Q N 0.716 120.471 119.800 -0.076 0.000 2.364 194 Q HA -0.031 4.309 4.340 -0.001 0.000 0.209 194 Q C 1.801 177.797 176.000 -0.008 0.000 0.977 194 Q CA 1.179 56.963 55.803 -0.032 0.000 0.885 194 Q CB 0.002 28.730 28.738 -0.017 0.000 0.941 194 Q HN 0.576 nan 8.270 nan 0.000 0.464 195 L N -1.313 119.909 121.223 -0.001 0.000 2.145 195 L HA -0.059 4.280 4.340 -0.001 0.000 0.201 195 L C 1.600 178.489 176.870 0.031 0.000 1.075 195 L CA 0.200 55.066 54.840 0.043 0.000 0.773 195 L CB -0.351 41.776 42.059 0.114 0.000 0.936 195 L HN 0.231 nan 8.230 nan 0.000 0.451 196 L N -0.162 121.057 121.223 -0.006 0.000 2.046 196 L HA -0.142 4.198 4.340 -0.001 0.000 0.208 196 L C 2.811 179.681 176.870 -0.001 0.000 1.077 196 L CA 2.037 56.882 54.840 0.009 0.000 0.747 196 L CB -2.180 39.862 42.059 -0.029 0.000 0.896 196 L HN 0.386 nan 8.230 nan 0.000 0.432 197 S N -0.097 115.590 115.700 -0.022 0.000 2.462 197 S HA -0.105 4.365 4.470 -0.001 0.000 0.243 197 S C 1.811 176.405 174.600 -0.010 0.000 1.003 197 S CA 0.973 59.164 58.200 -0.015 0.000 0.970 197 S CB -0.873 62.316 63.200 -0.020 0.000 0.762 197 S HN 0.635 nan 8.310 nan 0.000 0.510 198 G N 0.879 109.678 108.800 -0.001 0.000 2.189 198 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.267 198 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.267 198 G C 0.690 175.597 174.900 0.011 0.000 0.975 198 G CA 0.170 45.273 45.100 0.004 0.000 0.644 198 G HN 1.477 nan 8.290 nan 0.000 0.537 199 A N -0.652 122.175 122.820 0.011 0.000 2.276 199 A HA 0.766 5.085 4.320 -0.001 0.000 0.212 199 A C 1.096 178.702 177.584 0.037 0.000 1.230 199 A CA 1.452 53.503 52.037 0.024 0.000 0.844 199 A CB -0.303 18.713 19.000 0.027 0.000 0.860 199 A HN 2.278 nan 8.150 nan 0.000 0.486 200 A N -0.140 122.701 122.820 0.035 0.000 2.530 200 A HA 0.591 4.911 4.320 -0.001 0.000 0.297 200 A C -0.845 176.767 177.584 0.047 0.000 1.059 200 A CA -0.648 51.415 52.037 0.043 0.000 0.782 200 A CB 0.824 19.845 19.000 0.035 0.000 1.301 200 A HN 0.276 nan 8.150 nan 0.000 0.394 201 E N 0.984 121.221 120.200 0.062 0.000 2.410 201 E HA 0.714 5.063 4.350 -0.001 0.000 0.269 201 E C -0.944 175.712 176.600 0.093 0.000 0.937 201 E CA -1.324 55.116 56.400 0.066 0.000 0.793 201 E CB 1.599 31.344 29.700 0.075 0.000 1.314 201 E HN 0.640 nan 8.360 nan 0.000 0.447 202 R N -0.171 120.386 120.500 0.094 0.000 2.362 202 R HA -0.126 4.213 4.340 -0.001 0.000 0.325 202 R C -1.328 174.899 176.300 -0.122 0.000 1.082 202 R CA 0.026 56.234 56.100 0.180 0.000 0.940 202 R CB -1.383 29.268 30.300 0.584 0.000 2.664 202 R HN 0.242 nan 8.270 nan 0.000 0.501 203 V N 4.191 123.876 119.914 -0.381 0.000 2.789 203 V HA 0.605 4.724 4.120 -0.001 0.000 0.311 203 V C -0.381 175.364 176.094 -0.582 0.000 1.073 203 V CA -0.944 61.098 62.300 -0.430 0.000 0.921 203 V CB 2.042 33.807 31.823 -0.098 0.000 1.009 203 V HN 0.438 nan 8.190 nan 0.000 0.426 204 L N 5.667 126.496 121.223 -0.657 0.000 2.362 204 L HA 0.780 5.119 4.340 -0.001 0.000 0.271 204 L C -0.935 175.838 176.870 -0.163 0.000 1.002 204 L CA -0.067 54.506 54.840 -0.444 0.000 0.818 204 L CB 1.670 43.309 42.059 -0.700 0.000 1.298 204 L HN 0.583 nan 8.230 nan 0.000 0.420 205 I N 5.109 125.637 120.570 -0.069 0.000 2.545 205 I HA 0.451 4.620 4.170 -0.001 0.000 0.292 205 I C -0.998 175.007 176.117 -0.186 0.000 1.040 205 I CA -0.741 60.464 61.300 -0.158 0.000 1.068 205 I CB 2.064 39.904 38.000 -0.268 0.000 1.251 205 I HN 0.354 nan 8.210 nan 0.000 0.424 206 I N 6.222 126.662 120.570 -0.216 0.000 2.389 206 I HA 0.481 4.651 4.170 -0.001 0.000 0.288 206 I C -0.477 175.468 176.117 -0.287 0.000 0.999 206 I CA -0.691 60.505 61.300 -0.174 0.000 1.129 206 I CB 1.675 39.633 38.000 -0.070 0.000 1.288 206 I HN 0.242 nan 8.210 nan 0.000 0.444 207 V N 9.391 129.130 119.914 -0.291 0.000 2.760 207 V HA 0.593 4.712 4.120 -0.001 0.000 0.309 207 V C -2.462 173.549 176.094 -0.139 0.000 1.077 207 V CA -2.249 59.852 62.300 -0.331 0.000 0.910 207 V CB 3.029 34.450 31.823 -0.669 0.000 1.008 207 V HN 0.460 nan 8.190 nan 0.000 0.424 208 P HA 0.066 nan 4.420 nan 0.000 0.264 208 P C 0.791 178.098 177.300 0.012 0.000 1.183 208 P CA 0.355 63.460 63.100 0.009 0.000 0.763 208 P CB 0.470 32.203 31.700 0.055 0.000 0.807 209 E N 1.404 121.618 120.200 0.023 0.000 2.149 209 E HA -0.269 4.080 4.350 -0.001 0.000 0.215 209 E C 1.569 178.193 176.600 0.040 0.000 1.055 209 E CA 2.165 58.578 56.400 0.022 0.000 0.870 209 E CB -1.095 28.622 29.700 0.027 0.000 0.764 209 E HN 0.519 nan 8.360 nan 0.000 0.463 210 T N 2.058 116.648 114.554 0.060 0.000 2.588 210 T HA -0.098 4.251 4.350 -0.001 0.000 0.261 210 T C 2.036 176.803 174.700 0.112 0.000 1.069 210 T CA 1.168 63.319 62.100 0.084 0.000 1.172 210 T CB -0.425 68.498 68.868 0.092 0.000 0.863 210 T HN 0.134 nan 8.240 nan 0.000 0.408 211 L N 1.661 122.956 121.223 0.120 0.000 2.671 211 L HA -0.184 4.155 4.340 -0.001 0.000 0.236 211 L C 2.628 179.597 176.870 0.165 0.000 1.178 211 L CA 0.892 55.839 54.840 0.179 0.000 0.829 211 L CB -0.886 41.287 42.059 0.190 0.000 0.956 211 L HN 0.426 nan 8.230 nan 0.000 0.455 212 Q N -0.626 119.224 119.800 0.083 0.000 2.050 212 Q HA -0.244 4.095 4.340 -0.001 0.000 0.202 212 Q C 2.031 178.119 176.000 0.147 0.000 0.980 212 Q CA 1.789 57.616 55.803 0.041 0.000 0.840 212 Q CB -0.249 28.497 28.738 0.014 0.000 0.898 212 Q HN 0.553 nan 8.270 nan 0.000 0.424 213 H N 1.354 120.481 119.070 0.094 0.000 2.254 213 H HA -0.214 4.341 4.556 -0.001 0.000 0.294 213 H C 2.136 177.553 175.328 0.149 0.000 1.071 213 H CA 2.455 58.562 56.048 0.097 0.000 1.228 213 H CB -0.416 29.388 29.762 0.070 0.000 1.358 213 H HN 0.247 nan 8.280 nan 0.000 0.495 214 Q N -0.504 119.322 119.800 0.043 0.000 2.114 214 Q HA -0.337 4.002 4.340 -0.001 0.000 0.218 214 Q C 2.164 178.110 176.000 -0.090 0.000 1.064 214 Q CA 2.989 58.772 55.803 -0.034 0.000 0.926 214 Q CB -0.804 28.007 28.738 0.123 0.000 1.067 214 Q HN 0.632 nan 8.270 nan 0.000 0.439 215 W N 0.439 121.629 121.300 -0.184 0.000 2.317 215 W HA -0.174 4.486 4.660 -0.001 0.000 0.318 215 W C 2.416 178.796 176.519 -0.231 0.000 1.227 215 W CA 1.255 58.479 57.345 -0.203 0.000 1.269 215 W CB -0.957 28.389 29.460 -0.191 0.000 1.155 215 W HN 0.280 nan 8.180 nan 0.000 0.484 216 L N -0.543 120.706 121.223 0.043 0.000 2.051 216 L HA -0.290 4.049 4.340 -0.001 0.000 0.214 216 L C 2.344 179.168 176.870 -0.076 0.000 1.076 216 L CA 1.394 56.232 54.840 -0.004 0.000 0.758 216 L CB -1.296 40.778 42.059 0.024 0.000 0.890 216 L HN -0.093 nan 8.230 nan 0.000 0.433 217 V N -0.628 119.153 119.914 -0.223 0.000 2.427 217 V HA -0.167 3.953 4.120 -0.001 0.000 0.248 217 V C 1.529 177.514 176.094 -0.182 0.000 1.051 217 V CA 1.085 63.261 62.300 -0.206 0.000 1.048 217 V CB -0.136 31.512 31.823 -0.292 0.000 0.666 217 V HN 0.416 nan 8.190 nan 0.000 0.456 221 R N -0.260 120.169 120.500 -0.118 0.000 2.074 221 R HA 0.224 4.563 4.340 -0.001 0.000 0.218 221 R C 1.889 178.056 176.300 -0.221 0.000 1.137 221 R CA 0.887 56.898 56.100 -0.149 0.000 0.998 221 R CB 0.041 30.251 30.300 -0.150 0.000 0.895 221 R HN 0.216 nan 8.270 nan 0.000 0.442 222 R N 0.450 120.717 120.500 -0.387 0.000 2.171 222 R HA -0.148 4.191 4.340 -0.001 0.000 0.226 222 R C 1.634 177.671 176.300 -0.438 0.000 1.113 222 R CA 1.951 57.673 56.100 -0.631 0.000 0.887 222 R CB -0.388 29.037 30.300 -1.458 0.000 0.830 222 R HN 0.156 nan 8.270 nan 0.000 0.432 223 F N 0.139 120.010 119.950 -0.132 0.000 2.693 223 F HA 0.225 4.751 4.527 -0.001 0.000 0.303 223 F C 0.463 176.215 175.800 -0.080 0.000 1.097 223 F CA -0.822 57.041 58.000 -0.229 0.000 1.330 223 F CB -0.790 38.084 39.000 -0.210 0.000 1.067 223 F HN 0.165 nan 8.300 nan 0.000 0.565 224 N N 2.091 120.825 118.700 0.056 0.000 2.671 224 N HA -0.210 4.529 4.740 -0.001 0.000 0.261 224 N C -1.205 174.456 175.510 0.251 0.000 1.053 224 N CA 0.287 53.416 53.050 0.131 0.000 0.732 224 N CB -0.919 37.648 38.487 0.132 0.000 0.887 224 N HN 0.321 nan 8.380 nan 0.000 0.546 225 L N 2.510 123.894 121.223 0.268 0.000 2.295 225 L HA 0.298 4.638 4.340 -0.001 0.000 0.281 225 L C 1.248 178.337 176.870 0.365 0.000 1.018 225 L CA -0.595 54.471 54.840 0.376 0.000 0.841 225 L CB 1.198 43.599 42.059 0.571 0.000 1.218 225 L HN 0.052 nan 8.230 nan 0.000 0.424 226 R N 2.597 123.267 120.500 0.283 0.000 4.739 226 R HA 0.107 4.446 4.340 -0.001 0.000 0.203 226 R C -0.139 176.306 176.300 0.242 0.000 2.125 226 R CA -0.155 56.085 56.100 0.234 0.000 1.743 226 R CB -0.529 29.875 30.300 0.173 0.000 1.271 226 R HN 0.293 nan 8.270 nan 0.000 0.746 227 F N 0.929 120.953 119.950 0.123 0.000 2.628 227 F HA -0.045 4.482 4.527 -0.001 0.000 0.346 227 F C 1.091 176.959 175.800 0.113 0.000 1.188 227 F CA 0.463 58.531 58.000 0.114 0.000 1.376 227 F CB 0.497 39.564 39.000 0.112 0.000 1.104 227 F HN 0.179 nan 8.300 nan 0.000 0.616 228 A N 4.204 127.195 122.820 0.285 0.000 2.291 228 A HA 0.557 4.876 4.320 -0.001 0.000 0.311 228 A C -1.310 176.445 177.584 0.286 0.000 1.224 228 A CA -0.741 51.442 52.037 0.243 0.000 0.821 228 A CB 0.729 19.850 19.000 0.202 0.000 1.172 228 A HN 0.627 nan 8.150 nan 0.000 0.494 229 L N 2.950 124.308 121.223 0.224 0.000 2.410 229 L HA 0.544 4.883 4.340 -0.001 0.000 0.273 229 L C -1.071 175.896 176.870 0.161 0.000 1.144 229 L CA 0.172 55.117 54.840 0.175 0.000 0.863 229 L CB -0.288 41.830 42.059 0.098 0.000 1.140 229 L HN 0.531 nan 8.230 nan 0.000 0.463 230 F N 4.806 124.739 119.950 -0.027 0.000 2.443 230 F HA 0.538 5.064 4.527 -0.001 0.000 0.335 230 F C 0.004 175.598 175.800 -0.344 0.000 1.104 230 F CA -0.264 57.675 58.000 -0.103 0.000 1.013 230 F CB 1.297 40.283 39.000 -0.023 0.000 1.136 230 F HN 0.760 nan 8.300 nan 0.000 0.470 231 D N 1.766 121.707 120.400 -0.766 0.000 2.744 231 D HA 0.157 4.796 4.640 -0.001 0.000 0.304 231 D C 0.105 175.769 176.300 -1.059 0.000 1.179 231 D CA -0.501 52.868 54.000 -1.052 0.000 1.024 231 D CB 0.480 40.947 40.800 -0.556 0.000 1.453 231 D HN 0.387 nan 8.370 nan 0.000 0.529 232 D N -0.252 119.668 120.400 -0.801 0.000 2.172 232 D HA -0.175 4.464 4.640 -0.001 0.000 0.196 232 D C 1.358 177.678 176.300 0.033 0.000 0.999 232 D CA 1.257 55.269 54.000 0.020 0.000 0.856 232 D CB 0.394 41.273 40.800 0.132 0.000 0.934 232 D HN 0.394 nan 8.370 nan 0.000 0.453 233 E N 0.980 121.085 120.200 -0.158 0.000 1.998 233 E HA -0.101 4.248 4.350 -0.001 0.000 0.196 233 E C 2.202 178.661 176.600 -0.235 0.000 1.003 233 E CA 0.514 56.824 56.400 -0.149 0.000 0.829 233 E CB -0.301 29.300 29.700 -0.165 0.000 0.777 233 E HN 0.215 nan 8.360 nan 0.000 0.460 234 R N -0.113 120.102 120.500 -0.476 0.000 2.211 234 R HA -0.203 4.136 4.340 -0.001 0.000 0.240 234 R C 2.291 178.182 176.300 -0.682 0.000 1.144 234 R CA 1.049 56.723 56.100 -0.710 0.000 0.992 234 R CB -0.400 29.175 30.300 -1.208 0.000 0.869 234 R HN 0.252 nan 8.270 nan 0.000 0.462 235 Y N 0.984 120.947 120.300 -0.562 0.000 2.145 235 Y HA -0.235 4.314 4.550 -0.001 0.000 0.286 235 Y C 2.195 178.215 175.900 0.200 0.000 1.145 235 Y CA 1.098 59.312 58.100 0.190 0.000 1.148 235 Y CB -0.630 38.112 38.460 0.470 0.000 0.981 235 Y HN 0.039 nan 8.280 nan 0.000 0.507 236 A N 0.555 123.334 122.820 -0.069 0.000 1.859 236 A HA -0.282 4.037 4.320 -0.001 0.000 0.217 236 A C 2.003 179.552 177.584 -0.059 0.000 1.198 236 A CA 2.241 54.203 52.037 -0.125 0.000 0.629 236 A CB -1.002 17.972 19.000 -0.043 0.000 0.830 236 A HN 0.584 nan 8.150 nan 0.000 0.446 237 E N 0.281 120.458 120.200 -0.038 0.000 2.187 237 E HA -0.123 4.226 4.350 -0.001 0.000 0.199 237 E C 2.076 178.746 176.600 0.117 0.000 1.004 237 E CA 1.298 57.698 56.400 -0.000 0.000 0.813 237 E CB -0.465 29.221 29.700 -0.024 0.000 0.736 237 E HN 0.642 nan 8.360 nan 0.000 0.468 238 A N 1.337 124.241 122.820 0.140 0.000 1.828 238 A HA -0.316 4.003 4.320 -0.001 0.000 0.215 238 A C 2.156 179.798 177.584 0.097 0.000 1.203 238 A CA 1.900 54.044 52.037 0.178 0.000 0.614 238 A CB -0.817 18.376 19.000 0.321 0.000 0.844 238 A HN 0.245 nan 8.150 nan 0.000 0.445 239 Q N -1.052 118.751 119.800 0.004 0.000 2.133 239 Q HA -0.261 4.078 4.340 -0.001 0.000 0.208 239 Q C 2.129 178.209 176.000 0.134 0.000 0.991 239 Q CA 1.790 57.609 55.803 0.026 0.000 0.867 239 Q CB -0.540 28.118 28.738 -0.133 0.000 0.911 239 Q HN 0.897 nan 8.270 nan 0.000 0.417 240 H N 1.418 120.501 119.070 0.022 0.000 2.269 240 H HA -0.125 4.430 4.556 -0.001 0.000 0.299 240 H C 1.215 176.593 175.328 0.084 0.000 1.058 240 H CA 1.800 57.882 56.048 0.057 0.000 1.246 240 H CB -0.197 29.575 29.762 0.016 0.000 1.376 240 H HN 0.211 nan 8.280 nan 0.000 0.503 241 D N 0.802 121.379 120.400 0.295 0.000 2.143 241 D HA -0.130 4.509 4.640 -0.001 0.000 0.230 241 D C 1.792 177.932 176.300 -0.267 0.000 1.058 241 D CA 1.641 55.688 54.000 0.079 0.000 0.947 241 D CB -0.589 40.315 40.800 0.174 0.000 1.269 241 D HN 0.492 nan 8.370 nan 0.000 0.498 242 A N -0.117 122.523 122.820 -0.300 0.000 2.276 242 A HA 0.128 4.448 4.320 -0.001 0.000 0.212 242 A C 0.180 177.281 177.584 -0.805 0.000 1.230 242 A CA 0.282 51.945 52.037 -0.623 0.000 0.844 242 A CB -1.095 17.712 19.000 -0.322 0.000 0.860 242 A HN 0.468 nan 8.150 nan 0.000 0.486 243 Y N -2.114 118.178 120.300 -0.014 0.000 2.215 243 Y HA -0.458 4.091 4.550 -0.001 0.000 0.338 243 Y C 0.730 176.627 175.900 -0.005 0.000 0.916 243 Y CA 0.445 58.536 58.100 -0.016 0.000 1.910 243 Y CB -1.734 36.702 38.460 -0.040 0.000 0.917 243 Y HN 0.441 nan 8.280 nan 0.000 0.734 244 N N -0.149 118.725 118.700 0.289 0.000 4.307 244 N HA -0.190 4.549 4.740 -0.001 0.000 0.264 244 N C -1.985 173.531 175.510 0.010 0.000 0.892 244 N CA 0.712 53.834 53.050 0.120 0.000 0.997 244 N CB -2.013 36.510 38.487 0.060 0.000 0.808 244 N HN 0.511 nan 8.380 nan 0.000 0.600 245 P HA 0.217 nan 4.420 nan 0.000 0.285 245 P C 0.641 177.742 177.300 -0.331 0.000 1.372 245 P CA 0.765 63.599 63.100 -0.445 0.000 0.764 245 P CB 0.015 31.446 31.700 -0.448 0.000 1.744 246 F N -2.705 117.181 119.950 -0.106 0.000 2.781 246 F HA 0.247 4.774 4.527 -0.001 0.000 0.322 246 F C 0.004 175.720 175.800 -0.140 0.000 1.108 246 F CA -0.845 57.066 58.000 -0.148 0.000 1.179 246 F CB -1.293 37.613 39.000 -0.156 0.000 1.072 246 F HN -0.131 nan 8.300 nan 0.000 0.545 247 D N 0.773 121.167 120.400 -0.009 0.000 2.598 247 D HA 0.105 4.744 4.640 -0.001 0.000 0.231 247 D C 1.132 177.426 176.300 -0.010 0.000 1.127 247 D CA 0.635 54.620 54.000 -0.025 0.000 1.126 247 D CB 0.189 40.940 40.800 -0.083 0.000 1.124 247 D HN 0.156 nan 8.370 nan 0.000 0.485 248 T N -0.713 113.853 114.554 0.020 0.000 3.138 248 T HA 0.089 4.438 4.350 -0.001 0.000 0.245 248 T C 0.407 175.123 174.700 0.026 0.000 0.982 248 T CA -0.154 61.950 62.100 0.008 0.000 1.134 248 T CB 0.722 69.602 68.868 0.020 0.000 1.032 248 T HN 0.043 nan 8.240 nan 0.000 0.442 249 E N 1.980 122.203 120.200 0.039 0.000 2.218 249 E HA 0.377 4.726 4.350 -0.001 0.000 0.263 249 E C 0.275 176.901 176.600 0.044 0.000 0.879 249 E CA -0.420 56.005 56.400 0.042 0.000 0.762 249 E CB 1.815 31.547 29.700 0.054 0.000 1.166 249 E HN 0.066 nan 8.360 nan 0.000 0.415 250 Q N 1.001 120.814 119.800 0.020 0.000 2.096 250 Q HA -0.038 4.301 4.340 -0.001 0.000 0.204 250 Q C 0.645 176.539 176.000 -0.177 0.000 0.982 250 Q CA 1.143 56.948 55.803 0.004 0.000 0.850 250 Q CB -0.061 28.672 28.738 -0.009 0.000 0.901 250 Q HN 0.476 nan 8.270 nan 0.000 0.422 251 L N 0.633 121.655 121.223 -0.336 0.000 2.275 251 L HA 0.468 4.808 4.340 -0.001 0.000 0.288 251 L C -0.197 176.416 176.870 -0.428 0.000 1.046 251 L CA -0.683 53.627 54.840 -0.884 0.000 0.805 251 L CB 1.543 42.932 42.059 -1.116 0.000 1.193 251 L HN -0.197 nan 8.230 nan 0.000 0.426 252 V N 5.685 125.487 119.914 -0.187 0.000 3.048 252 V HA 0.620 4.739 4.120 -0.001 0.000 0.303 252 V C -1.373 174.971 176.094 0.416 0.000 1.214 252 V CA -0.534 61.902 62.300 0.228 0.000 0.984 252 V CB 2.467 34.351 31.823 0.102 0.000 1.054 252 V HN 0.571 nan 8.190 nan 0.000 0.430 253 I N 3.612 124.365 120.570 0.305 0.000 2.582 253 I HA 0.922 5.091 4.170 -0.001 0.000 0.292 253 I C -0.361 175.812 176.117 0.092 0.000 1.066 253 I CA -0.415 60.961 61.300 0.127 0.000 1.053 253 I CB 0.697 38.721 38.000 0.040 0.000 1.241 253 I HN 0.773 nan 8.210 nan 0.000 0.421 254 C N 2.130 121.450 119.300 0.033 0.000 3.293 254 C HA 0.759 5.218 4.460 -0.001 0.000 0.362 254 C C 0.056 175.063 174.990 0.029 0.000 1.539 254 C CA -0.476 58.582 59.018 0.067 0.000 1.201 254 C CB 1.965 29.823 27.740 0.197 0.000 1.770 254 C HN 0.993 nan 8.230 nan 0.000 0.440 255 S N 1.531 117.285 115.700 0.091 0.000 2.513 255 S HA 0.547 5.016 4.470 -0.001 0.000 0.299 255 S C 0.777 175.452 174.600 0.124 0.000 1.087 255 S CA -0.658 57.587 58.200 0.075 0.000 1.012 255 S CB 1.215 64.452 63.200 0.062 0.000 1.044 255 S HN 1.002 nan 8.310 nan 0.000 0.485 256 L N -0.377 120.892 121.223 0.078 0.000 2.131 256 L HA -0.038 4.301 4.340 -0.001 0.000 0.210 256 L C 1.291 178.202 176.870 0.069 0.000 1.092 256 L CA 1.745 56.626 54.840 0.067 0.000 0.759 256 L CB -2.145 39.947 42.059 0.054 0.000 0.903 256 L HN 0.572 nan 8.230 nan 0.000 0.435 257 D N 0.373 120.826 120.400 0.087 0.000 2.123 257 D HA -0.234 4.405 4.640 -0.001 0.000 0.196 257 D C 2.051 178.420 176.300 0.114 0.000 0.992 257 D CA 1.385 55.437 54.000 0.086 0.000 0.833 257 D CB -0.339 40.514 40.800 0.088 0.000 0.954 257 D HN 0.437 nan 8.370 nan 0.000 0.455 258 F N 1.528 121.466 119.950 -0.020 0.000 2.216 258 F HA -0.110 4.416 4.527 -0.001 0.000 0.300 258 F C 2.088 177.843 175.800 -0.074 0.000 1.085 258 F CA 1.204 59.173 58.000 -0.051 0.000 1.326 258 F CB -0.315 38.651 39.000 -0.056 0.000 1.027 258 F HN -0.079 nan 8.300 nan 0.000 0.497 259 A N 0.688 123.401 122.820 -0.179 0.000 1.874 259 A HA -0.058 4.261 4.320 -0.001 0.000 0.214 259 A C 2.429 179.917 177.584 -0.160 0.000 1.189 259 A CA 0.997 52.880 52.037 -0.258 0.000 0.615 259 A CB -0.717 18.233 19.000 -0.082 0.000 0.830 259 A HN 0.274 nan 8.150 nan 0.000 0.443 260 R N 0.515 120.975 120.500 -0.067 0.000 2.080 260 R HA -0.173 4.166 4.340 -0.001 0.000 0.236 260 R C 2.144 178.417 176.300 -0.045 0.000 1.137 260 R CA 1.821 57.901 56.100 -0.034 0.000 0.943 260 R CB -0.728 29.574 30.300 0.004 0.000 0.846 260 R HN 0.638 nan 8.270 nan 0.000 0.431 261 R N 0.006 120.477 120.500 -0.048 0.000 2.327 261 R HA -0.209 4.130 4.340 -0.001 0.000 0.239 261 R C 0.835 177.116 176.300 -0.031 0.000 1.085 261 R CA 2.287 58.368 56.100 -0.032 0.000 0.890 261 R CB -0.946 29.320 30.300 -0.056 0.000 0.983 261 R HN 0.351 nan 8.270 nan 0.000 0.419 262 S N 0.358 116.018 115.700 -0.067 0.000 2.474 262 S HA 0.350 4.819 4.470 -0.001 0.000 0.321 262 S C 0.028 174.613 174.600 -0.025 0.000 1.080 262 S CA -0.980 57.205 58.200 -0.026 0.000 1.106 262 S CB 2.205 65.403 63.200 -0.004 0.000 0.984 262 S HN 0.136 nan 8.310 nan 0.000 0.464 263 K N 1.506 121.900 120.400 -0.010 0.000 2.520 263 K HA -0.166 4.153 4.320 -0.001 0.000 0.197 263 K C 1.874 178.464 176.600 -0.017 0.000 1.043 263 K CA 0.959 57.237 56.287 -0.014 0.000 0.944 263 K CB -0.022 32.472 32.500 -0.010 0.000 0.770 263 K HN 0.724 nan 8.250 nan 0.000 0.480 264 Q N 0.524 120.327 119.800 0.004 0.000 2.250 264 Q HA -0.082 4.257 4.340 -0.001 0.000 0.200 264 Q C 1.966 178.010 176.000 0.072 0.000 0.941 264 Q CA 0.493 56.295 55.803 -0.002 0.000 0.872 264 Q CB 0.192 28.953 28.738 0.038 0.000 0.965 264 Q HN 0.096 nan 8.270 nan 0.000 0.480 265 R N 0.207 120.782 120.500 0.124 0.000 2.140 265 R HA -0.206 4.134 4.340 -0.001 0.000 0.250 265 R C 1.826 178.277 176.300 0.252 0.000 1.150 265 R CA 1.768 57.965 56.100 0.163 0.000 0.966 265 R CB -0.366 29.810 30.300 -0.206 0.000 0.869 265 R HN 0.257 nan 8.270 nan 0.000 0.445 266 L N 0.808 122.077 121.223 0.077 0.000 2.201 266 L HA -0.087 4.252 4.340 -0.001 0.000 0.212 266 L C 2.411 179.278 176.870 -0.006 0.000 1.105 266 L CA 1.508 56.381 54.840 0.054 0.000 0.775 266 L CB -0.798 41.259 42.059 -0.003 0.000 0.913 266 L HN 0.209 nan 8.230 nan 0.000 0.440 267 E N 0.591 120.723 120.200 -0.114 0.000 2.021 267 E HA -0.263 4.086 4.350 -0.001 0.000 0.200 267 E C 2.175 178.563 176.600 -0.353 0.000 1.015 267 E CA 2.062 58.280 56.400 -0.303 0.000 0.824 267 E CB -0.227 29.187 29.700 -0.476 0.000 0.762 267 E HN 0.652 nan 8.360 nan 0.000 0.454 268 H N 0.116 119.003 119.070 -0.306 0.000 2.557 268 H HA -0.036 4.519 4.556 -0.001 0.000 0.287 268 H C 2.034 177.005 175.328 -0.596 0.000 1.043 268 H CA 0.664 56.291 56.048 -0.702 0.000 1.226 268 H CB -0.402 28.400 29.762 -1.600 0.000 1.361 268 H HN 0.134 nan 8.280 nan 0.000 0.592 269 L N -0.567 120.622 121.223 -0.057 0.000 1.947 269 L HA -0.156 4.183 4.340 -0.001 0.000 0.211 269 L C 2.250 178.932 176.870 -0.313 0.000 1.098 269 L CA 1.093 55.926 54.840 -0.013 0.000 0.767 269 L CB -0.865 41.276 42.059 0.135 0.000 0.891 269 L HN 0.343 nan 8.230 nan 0.000 0.436 270 C N 0.274 119.428 119.300 -0.244 0.000 2.398 270 C HA -0.150 4.309 4.460 -0.001 0.000 0.279 270 C C 2.425 177.199 174.990 -0.360 0.000 1.250 270 C CA 0.581 59.418 59.018 -0.301 0.000 1.786 270 C CB -1.042 26.365 27.740 -0.554 0.000 2.018 270 C HN 0.464 nan 8.230 nan 0.000 0.494 271 E N 0.401 120.371 120.200 -0.383 0.000 2.526 271 E HA 0.030 4.379 4.350 -0.001 0.000 0.198 271 E C 1.114 177.480 176.600 -0.390 0.000 1.091 271 E CA 0.404 56.599 56.400 -0.341 0.000 0.880 271 E CB -0.149 29.354 29.700 -0.329 0.000 0.873 271 E HN 0.659 nan 8.360 nan 0.000 0.527 272 A N 2.314 124.796 122.820 -0.562 0.000 3.213 272 A HA 0.056 4.375 4.320 -0.001 0.000 0.308 272 A C 0.503 177.627 177.584 -0.766 0.000 1.177 272 A CA -0.465 51.107 52.037 -0.776 0.000 1.010 272 A CB -0.370 17.928 19.000 -1.171 0.000 1.092 272 A HN 0.163 nan 8.150 nan 0.000 0.583 273 E N 0.221 120.221 120.200 -0.333 0.000 1.655 273 E HA -0.255 4.094 4.350 -0.001 0.000 0.169 273 E C -1.013 175.680 176.600 0.156 0.000 1.169 273 E CA 0.644 56.993 56.400 -0.085 0.000 0.560 273 E CB -1.741 27.938 29.700 -0.035 0.000 1.032 273 E HN 0.738 nan 8.360 nan 0.000 0.273 274 W N 1.468 122.782 121.300 0.023 0.000 2.655 274 W HA 0.039 4.698 4.660 -0.001 0.000 0.333 274 W C 0.911 177.448 176.519 0.029 0.000 1.382 274 W CA -0.851 56.514 57.345 0.033 0.000 1.398 274 W CB 0.470 29.956 29.460 0.045 0.000 1.481 274 W HN 0.228 nan 8.180 nan 0.000 0.526 275 D N 2.525 123.125 120.400 0.334 0.000 2.103 275 D HA -0.049 4.590 4.640 -0.001 0.000 0.199 275 D C 0.555 176.906 176.300 0.086 0.000 0.978 275 D CA 1.498 55.592 54.000 0.158 0.000 0.829 275 D CB 0.092 40.961 40.800 0.115 0.000 0.981 275 D HN 0.157 nan 8.370 nan 0.000 0.464 276 L N -0.831 120.405 121.223 0.022 0.000 2.341 276 L HA 0.628 4.967 4.340 -0.001 0.000 0.254 276 L C -1.271 175.545 176.870 -0.090 0.000 1.040 276 L CA -1.345 53.483 54.840 -0.020 0.000 0.837 276 L CB 1.819 43.867 42.059 -0.019 0.000 1.425 276 L HN -0.135 nan 8.230 nan 0.000 0.414 277 L N 0.853 122.045 121.223 -0.052 0.000 2.422 277 L HA 0.773 5.112 4.340 -0.001 0.000 0.264 277 L C -1.362 175.489 176.870 -0.032 0.000 0.984 277 L CA -0.374 54.425 54.840 -0.070 0.000 0.819 277 L CB 2.331 44.377 42.059 -0.021 0.000 1.330 277 L HN 0.310 nan 8.230 nan 0.000 0.410 278 V N 4.871 124.758 119.914 -0.045 0.000 2.385 278 V HA 0.474 4.593 4.120 -0.001 0.000 0.277 278 V C -0.777 175.276 176.094 -0.068 0.000 1.012 278 V CA -0.635 61.654 62.300 -0.020 0.000 0.832 278 V CB 1.388 33.218 31.823 0.011 0.000 1.028 278 V HN 0.573 nan 8.190 nan 0.000 0.436 279 V N 3.958 123.855 119.914 -0.029 0.000 2.326 279 V HA 0.670 4.789 4.120 -0.001 0.000 0.281 279 V C -1.139 174.953 176.094 -0.005 0.000 1.015 279 V CA -0.034 62.242 62.300 -0.041 0.000 0.823 279 V CB 1.707 33.527 31.823 -0.006 0.000 1.009 279 V HN 0.940 nan 8.190 nan 0.000 0.436 280 D N 5.119 125.497 120.400 -0.036 0.000 2.362 280 D HA 0.467 5.106 4.640 -0.001 0.000 0.247 280 D C -0.456 175.868 176.300 0.039 0.000 1.050 280 D CA -0.337 53.694 54.000 0.052 0.000 0.839 280 D CB 1.821 42.727 40.800 0.176 0.000 1.283 280 D HN 0.704 nan 8.370 nan 0.000 0.477 281 E N 2.080 122.323 120.200 0.073 0.000 2.212 281 E HA 0.596 4.945 4.350 -0.001 0.000 0.270 281 E C -0.719 175.946 176.600 0.109 0.000 0.956 281 E CA -1.088 55.362 56.400 0.084 0.000 0.825 281 E CB 1.797 31.547 29.700 0.084 0.000 1.167 281 E HN 0.322 nan 8.360 nan 0.000 0.400 282 A N 1.700 124.598 122.820 0.130 0.000 2.382 282 A HA 0.036 4.355 4.320 -0.001 0.000 0.228 282 A C 0.564 178.236 177.584 0.147 0.000 1.217 282 A CA -0.056 52.062 52.037 0.134 0.000 0.923 282 A CB -0.005 19.081 19.000 0.144 0.000 0.979 282 A HN 0.638 nan 8.150 nan 0.000 0.515 283 H N -0.351 118.788 119.070 0.116 0.000 2.901 283 H HA 0.228 4.783 4.556 -0.001 0.000 0.227 283 H C -0.307 175.150 175.328 0.214 0.000 1.390 283 H CA 0.001 56.132 56.048 0.140 0.000 1.120 283 H CB -0.528 29.301 29.762 0.112 0.000 2.131 283 H HN 0.572 nan 8.280 nan 0.000 0.549 284 H N 0.088 119.245 119.070 0.145 0.000 4.187 284 H HA -0.202 4.354 4.556 -0.001 0.000 0.212 284 H C -1.188 174.221 175.328 0.135 0.000 0.768 284 H CA 0.894 57.020 56.048 0.129 0.000 1.046 284 H CB -0.186 29.655 29.762 0.133 0.000 1.414 284 H HN 0.437 nan 8.280 nan 0.000 0.310 285 L N 2.562 123.913 121.223 0.214 0.000 2.568 285 L HA 0.337 4.676 4.340 -0.001 0.000 0.262 285 L C -0.211 176.923 176.870 0.441 0.000 0.980 285 L CA -0.565 54.429 54.840 0.256 0.000 0.882 285 L CB 1.106 43.210 42.059 0.075 0.000 1.198 285 L HN 0.463 nan 8.230 nan 0.000 0.425 286 V N 0.831 120.984 119.914 0.397 0.000 2.716 286 V HA 0.748 4.867 4.120 -0.001 0.000 0.304 286 V C -0.786 175.432 176.094 0.206 0.000 1.053 286 V CA -0.377 62.086 62.300 0.272 0.000 0.984 286 V CB 1.953 33.844 31.823 0.114 0.000 1.021 286 V HN 0.878 nan 8.190 nan 0.000 0.467 287 W N 2.716 123.958 121.300 -0.097 0.000 3.544 287 W HA 0.512 5.171 4.660 -0.001 0.000 0.295 287 W C -2.264 174.168 176.519 -0.146 0.000 1.154 287 W CA 0.010 57.213 57.345 -0.236 0.000 1.122 287 W CB 0.887 29.992 29.460 -0.593 0.000 1.338 287 W HN 1.049 nan 8.180 nan 0.000 0.569 288 S N 3.447 118.334 115.700 -1.356 0.000 2.619 288 S HA 0.346 4.815 4.470 -0.001 0.000 0.280 288 S C -0.701 172.762 174.600 -1.894 0.000 1.150 288 S CA -0.376 57.089 58.200 -1.225 0.000 0.978 288 S CB 1.379 64.236 63.200 -0.570 0.000 1.041 288 S HN 0.496 nan 8.310 nan 0.000 0.485 289 E N 3.026 122.439 120.200 -1.312 0.000 2.565 289 E HA -0.006 4.343 4.350 -0.001 0.000 0.268 289 E C 0.276 176.535 176.600 -0.568 0.000 1.000 289 E CA 1.844 57.812 56.400 -0.719 0.000 0.964 289 E CB -0.005 29.743 29.700 0.080 0.000 0.955 289 E HN 0.699 nan 8.360 nan 0.000 0.459 290 D N 0.540 120.804 120.400 -0.226 0.000 2.911 290 D HA -0.217 4.422 4.640 -0.001 0.000 0.199 290 D C -0.554 175.668 176.300 -0.130 0.000 1.041 290 D CA 1.295 55.257 54.000 -0.063 0.000 1.013 290 D CB -1.515 39.243 40.800 -0.069 0.000 1.093 290 D HN 0.465 nan 8.370 nan 0.000 0.431 291 A N 0.590 123.153 122.820 -0.429 0.000 3.082 291 A HA 0.541 4.860 4.320 -0.001 0.000 0.328 291 A C -2.178 175.391 177.584 -0.024 0.000 1.089 291 A CA -0.954 50.933 52.037 -0.250 0.000 0.802 291 A CB 1.585 20.390 19.000 -0.324 0.000 1.138 291 A HN -0.059 nan 8.150 nan 0.000 0.474 292 P HA 0.267 nan 4.420 nan 0.000 0.317 292 P C 0.209 177.903 177.300 0.657 0.000 1.316 292 P CA 0.073 63.795 63.100 1.038 0.000 0.744 292 P CB 0.632 32.824 31.700 0.821 0.000 1.521 293 S N -2.664 113.479 115.700 0.739 0.000 2.563 293 S HA 0.240 4.709 4.470 -0.001 0.000 0.279 293 S C 0.947 175.722 174.600 0.291 0.000 1.155 293 S CA -0.751 57.724 58.200 0.457 0.000 0.928 293 S CB 0.785 64.269 63.200 0.473 0.000 1.107 293 S HN 0.282 nan 8.310 nan 0.000 0.462 294 R N 2.092 122.699 120.500 0.179 0.000 2.159 294 R HA -0.203 4.136 4.340 -0.001 0.000 0.252 294 R C 1.468 177.815 176.300 0.079 0.000 1.144 294 R CA 2.491 58.654 56.100 0.105 0.000 0.961 294 R CB -0.410 29.941 30.300 0.085 0.000 0.877 294 R HN 0.676 nan 8.270 nan 0.000 0.444 295 E N 0.110 120.378 120.200 0.114 0.000 2.022 295 E HA -0.156 4.194 4.350 -0.001 0.000 0.190 295 E C 1.951 178.595 176.600 0.074 0.000 0.973 295 E CA 1.070 57.524 56.400 0.090 0.000 0.816 295 E CB -1.115 28.653 29.700 0.113 0.000 0.781 295 E HN 0.441 nan 8.360 nan 0.000 0.456 296 Y N 2.876 123.214 120.300 0.063 0.000 2.096 296 Y HA -0.356 4.194 4.550 -0.001 0.000 0.276 296 Y C 2.182 178.072 175.900 -0.016 0.000 1.209 296 Y CA 2.642 60.763 58.100 0.035 0.000 1.137 296 Y CB -0.718 37.785 38.460 0.072 0.000 0.956 296 Y HN 0.061 nan 8.280 nan 0.000 0.506 297 Q N 0.623 119.863 119.800 -0.934 0.000 2.061 297 Q HA -0.215 4.124 4.340 -0.001 0.000 0.204 297 Q C 2.673 178.406 176.000 -0.445 0.000 0.984 297 Q CA 1.666 56.893 55.803 -0.959 0.000 0.846 297 Q CB -0.604 27.877 28.738 -0.428 0.000 0.902 297 Q HN 0.691 nan 8.270 nan 0.000 0.421 298 A N 1.331 124.017 122.820 -0.224 0.000 1.917 298 A HA -0.227 4.092 4.320 -0.001 0.000 0.219 298 A C 2.094 179.622 177.584 -0.094 0.000 1.182 298 A CA 1.425 53.395 52.037 -0.111 0.000 0.633 298 A CB -0.841 18.131 19.000 -0.047 0.000 0.819 298 A HN 0.329 nan 8.150 nan 0.000 0.448 299 I N -0.406 120.102 120.570 -0.103 0.000 2.068 299 I HA -0.364 3.805 4.170 -0.001 0.000 0.238 299 I C 2.565 178.646 176.117 -0.059 0.000 1.046 299 I CA 2.097 63.367 61.300 -0.050 0.000 1.306 299 I CB -0.705 37.282 38.000 -0.022 0.000 1.023 299 I HN 0.489 nan 8.210 nan 0.000 0.399 300 E N 0.599 120.715 120.200 -0.139 0.000 2.045 300 E HA -0.370 3.979 4.350 -0.001 0.000 0.212 300 E C 2.079 178.648 176.600 -0.050 0.000 1.039 300 E CA 1.973 58.303 56.400 -0.115 0.000 0.860 300 E CB -0.467 29.116 29.700 -0.194 0.000 0.776 300 E HN 0.569 nan 8.360 nan 0.000 0.467 301 Q N 0.179 119.948 119.800 -0.051 0.000 2.344 301 Q HA -0.218 4.121 4.340 -0.001 0.000 0.212 301 Q C 2.159 178.255 176.000 0.161 0.000 0.991 301 Q CA 1.176 57.006 55.803 0.045 0.000 0.897 301 Q CB -0.289 28.455 28.738 0.010 0.000 0.915 301 Q HN 0.373 nan 8.270 nan 0.000 0.438 302 L N -0.864 120.418 121.223 0.099 0.000 2.115 302 L HA 0.048 4.388 4.340 -0.001 0.000 0.200 302 L C 2.488 179.457 176.870 0.165 0.000 1.094 302 L CA 0.664 55.589 54.840 0.142 0.000 0.769 302 L CB -0.769 41.353 42.059 0.105 0.000 0.931 302 L HN 0.089 nan 8.230 nan 0.000 0.455 303 A N -0.054 122.821 122.820 0.091 0.000 1.986 303 A HA -0.281 4.038 4.320 -0.001 0.000 0.220 303 A C 2.228 179.831 177.584 0.032 0.000 1.171 303 A CA 1.978 54.052 52.037 0.063 0.000 0.640 303 A CB -0.708 18.305 19.000 0.023 0.000 0.811 303 A HN 0.529 nan 8.150 nan 0.000 0.451 304 E N -1.172 119.025 120.200 -0.005 0.000 2.160 304 E HA -0.271 4.078 4.350 -0.001 0.000 0.195 304 E C 1.471 177.942 176.600 -0.216 0.000 0.991 304 E CA 1.627 57.944 56.400 -0.138 0.000 0.810 304 E CB -0.091 29.473 29.700 -0.227 0.000 0.742 304 E HN 0.871 nan 8.360 nan 0.000 0.466 305 H N -1.498 117.571 119.070 -0.001 0.000 2.553 305 H HA 0.162 4.717 4.556 -0.001 0.000 0.276 305 H C 0.037 175.384 175.328 0.032 0.000 0.979 305 H CA 0.170 56.219 56.048 0.002 0.000 1.268 305 H CB 0.674 30.428 29.762 -0.013 0.000 1.450 305 H HN -0.104 nan 8.280 nan 0.000 0.527 306 V N 4.718 124.739 119.914 0.178 0.000 2.455 306 V HA 0.032 4.152 4.120 -0.001 0.000 0.273 306 V C -1.145 175.000 176.094 0.084 0.000 1.045 306 V CA -1.114 61.286 62.300 0.167 0.000 0.976 306 V CB 1.564 33.513 31.823 0.210 0.000 0.993 306 V HN 0.235 nan 8.190 nan 0.000 0.475 307 P HA -0.034 nan 4.420 nan 0.000 0.208 307 P C 0.752 178.046 177.300 -0.011 0.000 1.200 307 P CA 0.972 64.079 63.100 0.011 0.000 0.924 307 P CB 0.200 31.905 31.700 0.009 0.000 0.774 308 G N 0.431 109.225 108.800 -0.009 0.000 2.370 308 G HA2 0.488 4.447 3.960 -0.001 0.000 0.272 308 G HA3 0.488 4.447 3.960 -0.001 0.000 0.272 308 G C -0.497 174.403 174.900 0.000 0.000 1.208 308 G CA -0.204 44.882 45.100 -0.023 0.000 0.856 308 G HN 0.327 nan 8.290 nan 0.000 0.500 309 V N 0.746 120.659 119.914 -0.001 0.000 3.049 309 V HA 0.852 4.971 4.120 -0.001 0.000 0.309 309 V C -0.898 175.206 176.094 0.017 0.000 1.148 309 V CA -1.240 61.066 62.300 0.011 0.000 0.990 309 V CB 1.874 33.708 31.823 0.019 0.000 1.039 309 V HN 0.626 nan 8.190 nan 0.000 0.430 310 L N 4.384 125.620 121.223 0.021 0.000 2.470 310 L HA 0.661 5.000 4.340 -0.001 0.000 0.268 310 L C -1.020 175.878 176.870 0.046 0.000 0.964 310 L CA -0.623 54.238 54.840 0.035 0.000 0.839 310 L CB 2.067 44.144 42.059 0.030 0.000 1.276 310 L HN 0.889 nan 8.230 nan 0.000 0.403 311 L N 1.340 122.599 121.223 0.061 0.000 2.356 311 L HA 0.603 4.943 4.340 -0.001 0.000 0.277 311 L C -0.973 175.949 176.870 0.088 0.000 0.996 311 L CA -0.867 54.013 54.840 0.066 0.000 0.822 311 L CB 1.735 43.829 42.059 0.057 0.000 1.256 311 L HN 0.388 nan 8.230 nan 0.000 0.413 312 L N 3.702 124.987 121.223 0.104 0.000 2.536 312 L HA 0.267 4.606 4.340 -0.001 0.000 0.242 312 L C 0.428 177.361 176.870 0.105 0.000 1.280 312 L CA 0.311 55.224 54.840 0.121 0.000 1.221 312 L CB -0.703 41.459 42.059 0.173 0.000 1.449 312 L HN 0.974 nan 8.230 nan 0.000 0.405 313 T N -1.978 112.630 114.554 0.090 0.000 0.587 313 T HA -0.235 4.114 4.350 -0.001 0.000 0.768 313 T C 0.769 175.491 174.700 0.036 0.000 0.992 313 T CA 0.110 62.254 62.100 0.073 0.000 4.050 313 T CB -0.784 68.135 68.868 0.086 0.000 2.287 313 T HN 0.643 nan 8.240 nan 0.000 0.395 314 A N 3.072 125.885 122.820 -0.011 0.000 2.176 314 A HA 0.425 4.744 4.320 -0.001 0.000 0.214 314 A C 1.629 179.104 177.584 -0.183 0.000 1.327 314 A CA 0.639 52.623 52.037 -0.088 0.000 1.015 314 A CB -1.143 17.770 19.000 -0.144 0.000 0.818 314 A HN 2.343 nan 8.150 nan 0.000 0.500 315 T N -1.409 113.116 114.554 -0.049 0.000 4.743 315 T HA -0.127 4.222 4.350 -0.001 0.000 0.303 315 T C -1.038 173.673 174.700 0.018 0.000 1.251 315 T CA 0.737 62.838 62.100 0.003 0.000 2.422 315 T CB -2.013 66.885 68.868 0.049 0.000 1.789 315 T HN 0.645 nan 8.240 nan 0.000 0.988 316 P HA -0.009 nan 4.420 nan 0.000 0.237 316 P C 1.323 178.689 177.300 0.110 0.000 1.178 316 P CA 0.848 63.988 63.100 0.067 0.000 0.766 316 P CB 0.177 31.944 31.700 0.111 0.000 0.876 317 E N 0.802 121.062 120.200 0.100 0.000 2.063 317 E HA -0.280 4.069 4.350 -0.001 0.000 0.221 317 E C 2.178 178.827 176.600 0.082 0.000 1.052 317 E CA 1.556 58.012 56.400 0.094 0.000 0.891 317 E CB -0.744 29.000 29.700 0.073 0.000 0.792 317 E HN 0.261 nan 8.360 nan 0.000 0.482 318 Q N 0.255 120.095 119.800 0.066 0.000 1.880 318 Q HA -0.193 4.147 4.340 -0.001 0.000 0.243 318 Q C 0.717 176.752 176.000 0.058 0.000 1.047 318 Q CA 1.596 57.432 55.803 0.055 0.000 0.893 318 Q CB -0.848 27.920 28.738 0.049 0.000 0.999 318 Q HN 0.246 nan 8.270 nan 0.000 0.419 319 L N -2.180 119.080 121.223 0.062 0.000 2.434 319 L HA 0.844 5.183 4.340 -0.001 0.000 0.260 319 L C 0.017 176.915 176.870 0.048 0.000 0.983 319 L CA 0.048 54.919 54.840 0.052 0.000 0.820 319 L CB 2.375 44.459 42.059 0.041 0.000 1.361 319 L HN 0.539 nan 8.230 nan 0.000 0.410 323 S N 2.028 117.347 115.700 -0.635 0.000 2.648 323 S HA 0.050 4.520 4.470 -0.001 0.000 0.270 323 S C 1.426 175.926 174.600 -0.168 0.000 1.082 323 S CA 0.070 58.099 58.200 -0.286 0.000 1.116 323 S CB -0.408 62.688 63.200 -0.173 0.000 1.040 323 S HN 0.530 nan 8.310 nan 0.000 0.572 324 H N 2.110 121.253 119.070 0.121 0.000 2.346 324 H HA -0.257 4.299 4.556 -0.001 0.000 0.285 324 H C 1.642 177.041 175.328 0.118 0.000 1.123 324 H CA 1.853 57.965 56.048 0.106 0.000 1.182 324 H CB -1.234 28.597 29.762 0.114 0.000 1.351 324 H HN 0.498 nan 8.280 nan 0.000 0.475 325 F N 1.569 121.610 119.950 0.152 0.000 2.180 325 F HA -0.436 4.090 4.527 -0.001 0.000 0.286 325 F C 2.763 178.569 175.800 0.009 0.000 1.130 325 F CA 2.899 60.943 58.000 0.073 0.000 1.318 325 F CB -1.002 38.021 39.000 0.039 0.000 0.910 325 F HN 0.276 nan 8.300 nan 0.000 0.528 326 A N 0.291 123.278 122.820 0.279 0.000 1.886 326 A HA -0.450 3.869 4.320 -0.001 0.000 0.240 326 A C 2.166 179.723 177.584 -0.045 0.000 1.875 326 A CA 3.436 55.582 52.037 0.181 0.000 0.760 326 A CB -1.430 17.692 19.000 0.203 0.000 0.849 326 A HN 0.680 nan 8.150 nan 0.000 0.505 327 R N -0.980 119.505 120.500 -0.024 0.000 2.091 327 R HA -0.115 4.224 4.340 -0.001 0.000 0.238 327 R C 2.008 178.271 176.300 -0.061 0.000 1.136 327 R CA 1.448 57.535 56.100 -0.022 0.000 0.959 327 R CB -0.607 29.702 30.300 0.015 0.000 0.856 327 R HN 0.471 nan 8.270 nan 0.000 0.437 328 L N 1.140 122.268 121.223 -0.157 0.000 2.043 328 L HA -0.222 4.117 4.340 -0.001 0.000 0.212 328 L C 2.525 179.449 176.870 0.089 0.000 1.075 328 L CA 1.866 56.660 54.840 -0.077 0.000 0.752 328 L CB -1.270 40.470 42.059 -0.533 0.000 0.891 328 L HN 0.271 nan 8.230 nan 0.000 0.432 329 R N 0.016 120.441 120.500 -0.125 0.000 2.154 329 R HA -0.220 4.119 4.340 -0.001 0.000 0.248 329 R C 2.161 178.455 176.300 -0.010 0.000 1.155 329 R CA 1.479 57.574 56.100 -0.009 0.000 0.979 329 R CB -0.097 30.172 30.300 -0.053 0.000 0.869 329 R HN 0.256 nan 8.270 nan 0.000 0.452 330 L N 0.324 121.535 121.223 -0.020 0.000 2.131 330 L HA -0.047 4.293 4.340 -0.001 0.000 0.206 330 L C 2.235 179.088 176.870 -0.029 0.000 1.087 330 L CA 1.251 56.076 54.840 -0.024 0.000 0.767 330 L CB -0.523 41.534 42.059 -0.004 0.000 0.917 330 L HN 0.176 nan 8.230 nan 0.000 0.441 331 L N -1.189 120.033 121.223 -0.002 0.000 2.093 331 L HA -0.072 4.267 4.340 -0.001 0.000 0.208 331 L C 0.412 177.219 176.870 -0.104 0.000 1.085 331 L CA 1.046 55.879 54.840 -0.012 0.000 0.755 331 L CB -0.046 42.047 42.059 0.055 0.000 0.904 331 L HN 0.304 nan 8.230 nan 0.000 0.435 332 D N -1.537 118.746 120.400 -0.196 0.000 2.584 332 D HA 0.146 4.785 4.640 -0.001 0.000 0.238 332 D C -2.230 173.770 176.300 -0.500 0.000 1.302 332 D CA -1.162 52.570 54.000 -0.447 0.000 0.884 332 D CB 1.248 41.586 40.800 -0.769 0.000 1.456 332 D HN -0.144 nan 8.370 nan 0.000 0.528 333 P HA 0.031 nan 4.420 nan 0.000 0.239 333 P C 0.845 178.011 177.300 -0.224 0.000 1.184 333 P CA 0.578 63.584 63.100 -0.158 0.000 0.760 333 P CB 0.352 31.996 31.700 -0.094 0.000 0.884 334 N N -0.697 117.793 118.700 -0.350 0.000 2.428 334 N HA 0.059 4.798 4.740 -0.001 0.000 0.181 334 N C 1.595 176.785 175.510 -0.534 0.000 1.028 334 N CA 0.542 53.380 53.050 -0.353 0.000 0.877 334 N CB -0.209 38.120 38.487 -0.262 0.000 1.064 334 N HN 0.135 nan 8.380 nan 0.000 0.434 335 R N 0.064 120.155 120.500 -0.681 0.000 2.299 335 R HA 0.130 4.469 4.340 -0.001 0.000 0.197 335 R C -0.337 175.794 176.300 -0.281 0.000 0.971 335 R CA 0.434 56.184 56.100 -0.582 0.000 1.030 335 R CB 0.161 30.085 30.300 -0.627 0.000 0.932 335 R HN 0.054 nan 8.270 nan 0.000 0.477 336 F N -0.038 119.763 119.950 -0.249 0.000 2.531 336 F HA 0.283 4.809 4.527 -0.001 0.000 0.333 336 F C 0.443 176.280 175.800 0.062 0.000 1.292 336 F CA -1.696 56.293 58.000 -0.019 0.000 1.184 336 F CB -0.086 38.865 39.000 -0.083 0.000 1.426 336 F HN -0.108 nan 8.300 nan 0.000 0.559 337 H N -0.487 118.761 119.070 0.297 0.000 2.610 337 H HA -0.049 4.506 4.556 -0.001 0.000 0.298 337 H C -0.100 175.407 175.328 0.298 0.000 1.035 337 H CA 1.442 57.625 56.048 0.225 0.000 1.123 337 H CB -0.053 29.805 29.762 0.160 0.000 1.447 337 H HN 0.144 nan 8.280 nan 0.000 0.659 338 D N -0.088 120.595 120.400 0.473 0.000 2.471 338 D HA 0.062 4.701 4.640 -0.001 0.000 0.245 338 D C 0.606 177.119 176.300 0.355 0.000 1.116 338 D CA -0.518 53.708 54.000 0.377 0.000 0.853 338 D CB 1.341 42.282 40.800 0.235 0.000 1.123 338 D HN 0.070 nan 8.370 nan 0.000 0.540 339 F N 3.760 123.836 119.950 0.210 0.000 2.076 339 F HA -0.454 4.072 4.527 -0.001 0.000 0.285 339 F C 2.082 177.830 175.800 -0.087 0.000 1.083 339 F CA 2.584 60.448 58.000 -0.226 0.000 1.294 339 F CB -0.739 37.820 39.000 -0.735 0.000 0.947 339 F HN 0.461 nan 8.300 nan 0.000 0.501 340 A N 0.003 122.554 122.820 -0.447 0.000 1.942 340 A HA -0.450 3.869 4.320 -0.001 0.000 0.227 340 A C 2.084 179.406 177.584 -0.437 0.000 1.445 340 A CA 3.056 54.787 52.037 -0.509 0.000 0.704 340 A CB -1.422 17.469 19.000 -0.181 0.000 0.841 340 A HN 0.781 nan 8.150 nan 0.000 0.495 341 Q N -2.444 117.252 119.800 -0.174 0.000 2.020 341 Q HA -0.166 4.173 4.340 -0.001 0.000 0.202 341 Q C 2.039 178.031 176.000 -0.013 0.000 0.982 341 Q CA 1.560 57.332 55.803 -0.052 0.000 0.838 341 Q CB -0.398 28.383 28.738 0.071 0.000 0.899 341 Q HN 0.736 nan 8.270 nan 0.000 0.423 342 F N 1.796 121.678 119.950 -0.113 0.000 2.202 342 F HA -0.183 4.343 4.527 -0.001 0.000 0.301 342 F C 1.876 177.556 175.800 -0.200 0.000 1.082 342 F CA 0.871 58.835 58.000 -0.059 0.000 1.313 342 F CB -0.317 38.807 39.000 0.207 0.000 1.024 342 F HN -0.161 nan 8.300 nan 0.000 0.495 343 V N -0.209 119.328 119.914 -0.627 0.000 2.307 343 V HA -0.258 3.861 4.120 -0.001 0.000 0.245 343 V C 2.335 178.196 176.094 -0.387 0.000 1.045 343 V CA 1.919 63.813 62.300 -0.677 0.000 1.024 343 V CB -1.170 30.096 31.823 -0.927 0.000 0.651 343 V HN 0.236 nan 8.190 nan 0.000 0.449 344 E N 0.993 121.016 120.200 -0.294 0.000 2.070 344 E HA -0.260 4.089 4.350 -0.001 0.000 0.197 344 E C 2.149 178.685 176.600 -0.106 0.000 1.004 344 E CA 2.113 58.417 56.400 -0.159 0.000 0.805 344 E CB -0.354 29.281 29.700 -0.109 0.000 0.744 344 E HN 0.707 nan 8.360 nan 0.000 0.451 345 E N -0.426 119.718 120.200 -0.093 0.000 2.070 345 E HA -0.306 4.043 4.350 -0.001 0.000 0.197 345 E C 2.123 178.657 176.600 -0.110 0.000 1.004 345 E CA 1.505 57.881 56.400 -0.039 0.000 0.805 345 E CB -0.257 29.458 29.700 0.026 0.000 0.744 345 E HN 0.284 nan 8.360 nan 0.000 0.451 346 Q N 1.936 121.526 119.800 -0.350 0.000 2.020 346 Q HA -0.196 4.143 4.340 -0.001 0.000 0.202 346 Q C 1.739 177.697 176.000 -0.070 0.000 0.982 346 Q CA 2.008 57.640 55.803 -0.284 0.000 0.838 346 Q CB -0.221 28.234 28.738 -0.472 0.000 0.899 346 Q HN 0.105 nan 8.270 nan 0.000 0.423 347 K N 0.020 120.352 120.400 -0.113 0.000 2.089 347 K HA -0.194 4.125 4.320 -0.001 0.000 0.210 347 K C 1.764 178.357 176.600 -0.011 0.000 1.048 347 K CA 1.920 58.169 56.287 -0.064 0.000 0.926 347 K CB -0.312 32.136 32.500 -0.086 0.000 0.714 347 K HN 0.481 nan 8.250 nan 0.000 0.448 348 N N -1.109 117.601 118.700 0.017 0.000 2.299 348 N HA -0.025 4.715 4.740 -0.001 0.000 0.187 348 N C 1.148 176.717 175.510 0.097 0.000 1.099 348 N CA -0.107 52.969 53.050 0.044 0.000 0.867 348 N CB 0.158 38.669 38.487 0.040 0.000 0.974 348 N HN 0.097 nan 8.380 nan 0.000 0.477 349 Y N 1.284 121.541 120.300 -0.071 0.000 2.314 349 Y HA -0.127 4.422 4.550 -0.001 0.000 0.293 349 Y C 2.238 178.100 175.900 -0.064 0.000 1.129 349 Y CA 0.255 58.308 58.100 -0.079 0.000 1.201 349 Y CB -0.292 38.112 38.460 -0.093 0.000 0.999 349 Y HN 0.145 nan 8.280 nan 0.000 0.541 350 C N 0.328 119.679 119.300 0.085 0.000 2.455 350 C HA -0.183 4.276 4.460 -0.001 0.000 0.281 350 C C 0.340 175.324 174.990 -0.011 0.000 1.237 350 C CA 1.063 60.097 59.018 0.027 0.000 1.726 350 C CB -1.940 25.810 27.740 0.017 0.000 2.068 350 C HN 0.338 nan 8.230 nan 0.000 0.466 351 P HA -0.183 nan 4.420 nan 0.000 0.216 351 P C 1.854 179.126 177.300 -0.045 0.000 1.167 351 P CA 2.942 66.028 63.100 -0.025 0.000 0.914 351 P CB -0.388 31.301 31.700 -0.019 0.000 0.793 352 V N -2.563 117.307 119.914 -0.073 0.000 2.358 352 V HA -0.178 3.941 4.120 -0.001 0.000 0.246 352 V C 2.307 178.330 176.094 -0.118 0.000 1.047 352 V CA 1.977 64.212 62.300 -0.107 0.000 1.035 352 V CB -2.244 29.481 31.823 -0.164 0.000 0.658 352 V HN 0.077 nan 8.190 nan 0.000 0.452 353 A N 0.975 123.712 122.820 -0.139 0.000 2.032 353 A HA -0.250 4.069 4.320 -0.001 0.000 0.221 353 A C 1.894 179.446 177.584 -0.054 0.000 1.165 353 A CA 2.116 54.089 52.037 -0.107 0.000 0.645 353 A CB -0.838 18.120 19.000 -0.070 0.000 0.807 353 A HN 0.690 nan 8.150 nan 0.000 0.453 354 D N 0.525 120.899 120.400 -0.043 0.000 2.077 354 D HA -0.115 4.524 4.640 -0.001 0.000 0.193 354 D C 2.321 178.604 176.300 -0.030 0.000 0.989 354 D CA 1.653 55.637 54.000 -0.028 0.000 0.831 354 D CB -0.942 39.844 40.800 -0.024 0.000 0.979 354 D HN 0.409 nan 8.370 nan 0.000 0.449 355 A N 1.423 124.222 122.820 -0.036 0.000 1.915 355 A HA -0.242 4.077 4.320 -0.001 0.000 0.220 355 A C 2.609 180.174 177.584 -0.031 0.000 1.198 355 A CA 2.349 54.366 52.037 -0.032 0.000 0.647 355 A CB -1.141 17.837 19.000 -0.037 0.000 0.825 355 A HN 0.139 nan 8.150 nan 0.000 0.456 356 V N -0.277 119.612 119.914 -0.042 0.000 2.255 356 V HA -0.353 3.767 4.120 -0.001 0.000 0.258 356 V C 2.088 178.170 176.094 -0.019 0.000 1.069 356 V CA 1.936 64.215 62.300 -0.035 0.000 1.082 356 V CB -1.750 30.048 31.823 -0.042 0.000 0.707 356 V HN 0.856 nan 8.190 nan 0.000 0.466 360 L N -0.700 120.520 121.223 -0.005 0.000 3.500 360 L HA 0.532 4.871 4.340 -0.001 0.000 0.320 360 L C 1.338 178.206 176.870 -0.004 0.000 1.205 360 L CA 0.964 55.802 54.840 -0.003 0.000 1.117 360 L CB 0.672 42.731 42.059 -0.001 0.000 1.542 360 L HN 0.091 nan 8.230 nan 0.000 0.622 361 A N -0.593 122.223 122.820 -0.006 0.000 2.548 361 A HA 0.689 5.008 4.320 -0.001 0.000 0.236 361 A C 1.624 179.203 177.584 -0.009 0.000 1.246 361 A CA 0.639 52.671 52.037 -0.008 0.000 0.993 361 A CB 0.082 19.077 19.000 -0.009 0.000 1.209 361 A HN 0.205 nan 8.150 nan 0.000 0.570 362 G N -0.784 108.011 108.800 -0.008 0.000 2.759 362 G HA2 0.297 4.256 3.960 -0.001 0.000 0.208 362 G HA3 0.297 4.256 3.960 -0.001 0.000 0.208 362 G C 0.586 175.481 174.900 -0.008 0.000 1.076 362 G CA 0.727 45.822 45.100 -0.009 0.000 0.789 362 G HN 0.298 nan 8.290 nan 0.000 0.546 363 N N 0.212 118.908 118.700 -0.007 0.000 1.217 363 N HA -0.178 4.562 4.740 -0.001 0.000 0.134 363 N C 0.100 175.606 175.510 -0.006 0.000 0.831 363 N CA 1.436 54.482 53.050 -0.006 0.000 0.924 363 N CB -0.978 37.506 38.487 -0.005 0.000 1.146 363 N HN 0.340 nan 8.380 nan 0.000 0.558 364 K N 1.499 121.896 120.400 -0.005 0.000 2.185 364 K HA 0.599 4.918 4.320 -0.001 0.000 0.245 364 K C 0.360 176.956 176.600 -0.007 0.000 1.035 364 K CA 0.266 56.550 56.287 -0.005 0.000 0.847 364 K CB 0.111 32.609 32.500 -0.004 0.000 1.056 364 K HN 0.523 nan 8.250 nan 0.000 0.518 365 L N -1.558 119.661 121.223 -0.007 0.000 2.999 365 L HA 0.251 4.590 4.340 -0.001 0.000 0.274 365 L C -0.644 176.222 176.870 -0.007 0.000 1.044 365 L CA -0.597 54.239 54.840 -0.007 0.000 0.943 365 L CB 2.402 44.455 42.059 -0.009 0.000 1.522 365 L HN 0.681 nan 8.230 nan 0.000 0.400 366 S N -0.247 115.448 115.700 -0.007 0.000 2.590 366 S HA 0.179 4.649 4.470 -0.001 0.000 0.282 366 S C 0.739 175.335 174.600 -0.007 0.000 1.136 366 S CA -0.252 57.944 58.200 -0.006 0.000 1.030 366 S CB 0.631 63.828 63.200 -0.006 0.000 1.195 366 S HN 0.820 nan 8.310 nan 0.000 0.506 367 N N 1.741 120.437 118.700 -0.006 0.000 2.609 367 N HA -0.132 4.608 4.740 -0.001 0.000 0.190 367 N C 0.479 175.985 175.510 -0.007 0.000 1.157 367 N CA 0.689 53.736 53.050 -0.006 0.000 0.918 367 N CB -0.491 37.994 38.487 -0.005 0.000 0.978 367 N HN 0.683 nan 8.380 nan 0.000 0.448 368 D N -0.105 120.291 120.400 -0.008 0.000 2.328 368 D HA -0.054 4.585 4.640 -0.001 0.000 0.226 368 D C 0.047 176.340 176.300 -0.011 0.000 1.066 368 D CA 0.194 54.188 54.000 -0.009 0.000 0.861 368 D CB 0.103 40.898 40.800 -0.010 0.000 0.912 368 D HN 0.075 nan 8.370 nan 0.000 0.521 369 E N 0.148 120.342 120.200 -0.010 0.000 2.548 369 E HA 0.195 4.544 4.350 -0.001 0.000 0.206 369 E C 1.932 178.526 176.600 -0.011 0.000 1.005 369 E CA -0.142 56.251 56.400 -0.012 0.000 0.951 369 E CB 0.532 30.225 29.700 -0.012 0.000 1.035 369 E HN 0.384 nan 8.360 nan 0.000 0.470 370 L N -0.065 121.153 121.223 -0.008 0.000 2.217 370 L HA 0.008 4.347 4.340 -0.001 0.000 0.211 370 L C 0.882 177.748 176.870 -0.007 0.000 1.107 370 L CA 0.901 55.737 54.840 -0.007 0.000 0.783 370 L CB -0.170 41.886 42.059 -0.005 0.000 0.919 370 L HN 0.019 nan 8.230 nan 0.000 0.442 374 G N 0.934 109.731 108.800 -0.004 0.000 2.450 374 G HA2 -0.110 3.849 3.960 -0.001 0.000 0.220 374 G HA3 -0.110 3.849 3.960 -0.001 0.000 0.220 374 G C 0.759 175.661 174.900 0.004 0.000 1.130 374 G CA 0.718 45.819 45.100 0.002 0.000 0.760 374 G HN 0.527 nan 8.290 nan 0.000 0.557 378 G N 1.863 110.676 108.800 0.022 0.000 3.343 378 G HA2 0.189 4.148 3.960 -0.001 0.000 0.264 378 G HA3 0.189 4.148 3.960 -0.001 0.000 0.264 378 G C 0.783 175.692 174.900 0.015 0.000 0.884 378 G CA 0.096 45.206 45.100 0.017 0.000 1.916 378 G HN 0.216 nan 8.290 nan 0.000 0.618 379 E N 1.717 121.929 120.200 0.019 0.000 2.081 379 E HA -0.379 3.970 4.350 -0.001 0.000 0.235 379 E C 2.115 178.723 176.600 0.013 0.000 1.043 379 E CA 2.373 58.783 56.400 0.017 0.000 0.924 379 E CB -0.301 29.411 29.700 0.019 0.000 0.821 379 E HN 0.470 nan 8.360 nan 0.000 0.517 380 Q N 0.392 120.200 119.800 0.014 0.000 2.126 380 Q HA -0.408 3.931 4.340 -0.001 0.000 0.222 380 Q C 0.408 176.414 176.000 0.009 0.000 2.782 380 Q CA 4.097 59.907 55.803 0.012 0.000 0.587 380 Q CB -1.787 26.958 28.738 0.012 0.000 0.556 380 Q HN 0.822 nan 8.270 nan 0.000 0.506 381 D N -1.527 118.877 120.400 0.007 0.000 2.859 381 D HA -0.238 4.402 4.640 -0.001 0.000 0.225 381 D C 0.735 177.038 176.300 0.005 0.000 1.168 381 D CA 1.505 55.508 54.000 0.005 0.000 0.665 381 D CB -1.452 39.351 40.800 0.005 0.000 1.059 381 D HN 0.641 nan 8.370 nan 0.000 0.418 382 I N -0.408 120.166 120.570 0.006 0.000 2.685 382 I HA -0.071 4.098 4.170 -0.001 0.000 0.251 382 I C 2.384 178.504 176.117 0.005 0.000 1.102 382 I CA 0.970 62.274 61.300 0.006 0.000 1.442 382 I CB -0.143 37.861 38.000 0.008 0.000 1.194 382 I HN 0.200 nan 8.210 nan 0.000 0.448 383 E N 0.474 120.677 120.200 0.006 0.000 2.490 383 E HA 0.092 4.441 4.350 -0.001 0.000 0.209 383 E C -1.490 175.112 176.600 0.003 0.000 0.971 383 E CA -0.281 56.122 56.400 0.005 0.000 0.988 383 E CB -0.600 29.104 29.700 0.006 0.000 1.029 383 E HN 0.294 nan 8.360 nan 0.000 0.496 384 P HA -0.088 nan 4.420 nan 0.000 0.234 384 P C 0.506 177.805 177.300 -0.001 0.000 1.162 384 P CA 0.753 63.854 63.100 0.001 0.000 0.759 384 P CB 0.036 31.736 31.700 0.000 0.000 0.813 385 L N -1.334 119.889 121.223 0.001 0.000 2.035 385 L HA 0.015 4.354 4.340 -0.001 0.000 0.207 385 L C 2.370 179.240 176.870 -0.000 0.000 1.173 385 L CA 1.208 56.048 54.840 -0.000 0.000 0.852 385 L CB -1.859 40.200 42.059 0.001 0.000 0.946 385 L HN -0.166 nan 8.230 nan 0.000 0.483 386 L N -0.742 120.481 121.223 0.001 0.000 2.017 386 L HA -0.269 4.071 4.340 -0.001 0.000 0.208 386 L C 2.663 179.533 176.870 0.001 0.000 1.073 386 L CA 1.213 56.053 54.840 0.001 0.000 0.745 386 L CB -0.275 41.785 42.059 0.002 0.000 0.894 386 L HN 0.384 nan 8.230 nan 0.000 0.432 387 Q N 0.651 120.452 119.800 0.002 0.000 2.173 387 Q HA -0.238 4.101 4.340 -0.001 0.000 0.208 387 Q C 2.150 178.150 176.000 0.000 0.000 0.989 387 Q CA 2.179 57.983 55.803 0.002 0.000 0.872 387 Q CB -0.789 27.950 28.738 0.003 0.000 0.909 387 Q HN 0.717 nan 8.270 nan 0.000 0.420 388 A N -0.249 122.571 122.820 -0.001 0.000 2.119 388 A HA 0.237 4.556 4.320 -0.001 0.000 0.216 388 A C 2.136 179.718 177.584 -0.003 0.000 1.152 388 A CA 1.019 53.054 52.037 -0.003 0.000 0.708 388 A CB -0.475 18.522 19.000 -0.005 0.000 0.805 388 A HN 0.335 nan 8.150 nan 0.000 0.460 389 A N 0.659 123.478 122.820 -0.002 0.000 1.898 389 A HA -0.090 4.230 4.320 -0.001 0.000 0.216 389 A C 1.311 178.894 177.584 -0.002 0.000 1.181 389 A CA 0.991 53.027 52.037 -0.002 0.000 0.620 389 A CB -0.637 18.363 19.000 -0.001 0.000 0.819 389 A HN 0.551 nan 8.150 nan 0.000 0.442 390 N N 0.149 118.848 118.700 -0.001 0.000 2.356 390 N HA 0.083 4.823 4.740 -0.001 0.000 0.252 390 N C 0.685 176.195 175.510 -0.001 0.000 1.241 390 N CA 1.141 54.191 53.050 -0.000 0.000 0.861 390 N CB 0.594 39.082 38.487 0.001 0.000 1.075 390 N HN 0.338 nan 8.380 nan 0.000 0.461 391 S N 0.257 115.957 115.700 -0.001 0.000 2.597 391 S HA 0.122 4.591 4.470 -0.001 0.000 0.275 391 S C -0.579 174.020 174.600 -0.001 0.000 1.040 391 S CA -0.115 58.084 58.200 -0.001 0.000 1.187 391 S CB -0.020 63.178 63.200 -0.002 0.000 0.988 391 S HN 0.672 nan 8.310 nan 0.000 0.490 392 D N 0.218 120.618 120.400 -0.000 0.000 2.636 392 D HA 0.699 5.339 4.640 -0.001 0.000 0.275 392 D C -0.320 175.981 176.300 0.001 0.000 1.130 392 D CA -0.265 53.735 54.000 0.000 0.000 1.031 392 D CB 0.997 41.797 40.800 -0.000 0.000 1.451 392 D HN 0.275 nan 8.370 nan 0.000 0.505 393 S N 0.011 115.712 115.700 0.001 0.000 4.229 393 S HA -0.114 4.355 4.470 -0.001 0.000 0.404 393 S C -0.746 173.855 174.600 0.002 0.000 0.913 393 S CA 0.372 58.573 58.200 0.001 0.000 1.076 393 S CB -1.800 61.401 63.200 0.001 0.000 0.768 393 S HN 0.694 nan 8.310 nan 0.000 0.550 394 E N 0.515 120.716 120.200 0.002 0.000 2.197 394 E HA -0.227 4.123 4.350 -0.001 0.000 0.184 394 E C -0.357 176.244 176.600 0.003 0.000 1.439 394 E CA 1.815 58.216 56.400 0.002 0.000 0.688 394 E CB -2.185 27.516 29.700 0.002 0.000 1.090 394 E HN 0.994 nan 8.360 nan 0.000 0.341 395 D N -2.421 117.981 120.400 0.003 0.000 3.118 395 D HA 0.519 5.159 4.640 -0.001 0.000 0.259 395 D C 0.419 176.721 176.300 0.003 0.000 1.292 395 D CA 0.040 54.042 54.000 0.003 0.000 0.784 395 D CB 0.227 41.029 40.800 0.003 0.000 1.413 395 D HN 0.201 nan 8.370 nan 0.000 0.583 396 A N 0.975 123.797 122.820 0.003 0.000 3.187 396 A HA -0.009 4.310 4.320 -0.001 0.000 0.172 396 A C 1.726 179.313 177.584 0.004 0.000 1.530 396 A CA 0.392 52.431 52.037 0.003 0.000 0.741 396 A CB -0.602 18.400 19.000 0.003 0.000 1.079 396 A HN 0.326 nan 8.150 nan 0.000 0.486 397 Q N 0.523 120.326 119.800 0.005 0.000 2.389 397 Q HA -0.209 4.130 4.340 -0.001 0.000 0.213 397 Q C 2.178 178.182 176.000 0.007 0.000 0.989 397 Q CA 1.506 57.313 55.803 0.007 0.000 0.891 397 Q CB -0.518 28.225 28.738 0.008 0.000 0.923 397 Q HN 0.841 nan 8.270 nan 0.000 0.455 398 S N 0.155 115.859 115.700 0.006 0.000 2.381 398 S HA -0.285 4.184 4.470 -0.001 0.000 0.230 398 S C 1.822 176.426 174.600 0.007 0.000 1.052 398 S CA 1.456 59.660 58.200 0.007 0.000 1.068 398 S CB -0.237 62.967 63.200 0.005 0.000 0.918 398 S HN 0.461 nan 8.310 nan 0.000 0.448 399 A N -0.022 122.802 122.820 0.006 0.000 2.287 399 A HA 0.533 4.852 4.320 -0.001 0.000 0.214 399 A C 1.990 179.577 177.584 0.006 0.000 1.228 399 A CA -0.025 52.015 52.037 0.006 0.000 0.939 399 A CB 0.055 19.058 19.000 0.004 0.000 0.992 399 A HN 0.355 nan 8.150 nan 0.000 0.502 400 R N 0.047 120.550 120.500 0.006 0.000 2.070 400 R HA -0.070 4.270 4.340 -0.001 0.000 0.227 400 R C 2.015 178.321 176.300 0.009 0.000 1.147 400 R CA 1.801 57.905 56.100 0.006 0.000 0.924 400 R CB -0.900 29.404 30.300 0.006 0.000 0.827 400 R HN 0.476 nan 8.270 nan 0.000 0.431 401 Q N 0.216 120.023 119.800 0.011 0.000 2.576 401 Q HA -0.167 4.172 4.340 -0.001 0.000 0.218 401 Q C 1.317 177.327 176.000 0.015 0.000 0.983 401 Q CA 1.344 57.156 55.803 0.015 0.000 0.920 401 Q CB 0.011 28.757 28.738 0.014 0.000 0.973 401 Q HN 0.289 nan 8.270 nan 0.000 0.528 402 E N -1.155 119.052 120.200 0.013 0.000 2.057 402 E HA -0.065 4.284 4.350 -0.001 0.000 0.191 402 E C 1.391 177.999 176.600 0.013 0.000 0.959 402 E CA 0.949 57.357 56.400 0.013 0.000 0.828 402 E CB -0.156 29.550 29.700 0.011 0.000 0.800 402 E HN 0.359 nan 8.360 nan 0.000 0.460 403 L N 0.681 121.910 121.223 0.010 0.000 2.201 403 L HA -0.017 4.322 4.340 -0.001 0.000 0.212 403 L C 2.363 179.238 176.870 0.009 0.000 1.105 403 L CA 1.629 56.474 54.840 0.007 0.000 0.775 403 L CB -2.173 39.887 42.059 0.002 0.000 0.913 403 L HN 0.192 nan 8.230 nan 0.000 0.440 404 V N -1.256 118.665 119.914 0.012 0.000 2.252 404 V HA -0.183 3.936 4.120 -0.001 0.000 0.249 404 V C 1.712 177.820 176.094 0.023 0.000 1.056 404 V CA 1.259 63.568 62.300 0.016 0.000 1.022 404 V CB -1.737 30.099 31.823 0.022 0.000 0.641 404 V HN 0.695 nan 8.190 nan 0.000 0.445 410 R N 0.472 121.015 120.500 0.071 0.000 2.200 410 R HA 0.077 4.416 4.340 -0.001 0.000 0.208 410 R C 0.391 176.783 176.300 0.154 0.000 1.033 410 R CA 0.334 56.487 56.100 0.088 0.000 1.000 410 R CB -0.845 29.486 30.300 0.053 0.000 0.906 410 R HN 0.338 nan 8.270 nan 0.000 0.462 411 H N 1.455 120.563 119.070 0.063 0.000 3.257 411 H HA -0.036 4.519 4.556 -0.001 0.000 0.256 411 H C 0.773 176.191 175.328 0.150 0.000 0.885 411 H CA 0.464 56.603 56.048 0.151 0.000 1.406 411 H CB 0.013 29.780 29.762 0.008 0.000 1.506 411 H HN 0.212 nan 8.280 nan 0.000 0.527 412 G N 3.344 112.389 108.800 0.409 0.000 3.234 412 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.221 412 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.221 412 G C 1.302 176.306 174.900 0.174 0.000 1.229 412 G CA 0.655 45.895 45.100 0.233 0.000 0.909 412 G HN 0.690 nan 8.290 nan 0.000 0.510 413 T N -5.286 109.433 114.554 0.276 0.000 3.250 413 T HA 0.050 4.399 4.350 -0.001 0.000 0.265 413 T C 2.196 176.775 174.700 -0.202 0.000 0.973 413 T CA 1.066 63.197 62.100 0.051 0.000 1.040 413 T CB -0.181 68.800 68.868 0.188 0.000 1.167 413 T HN -0.046 nan 8.240 nan 0.000 0.471 414 S N 1.553 116.970 115.700 -0.472 0.000 2.444 414 S HA -0.149 4.320 4.470 -0.001 0.000 0.244 414 S C 2.032 176.366 174.600 -0.443 0.000 1.025 414 S CA 1.611 59.392 58.200 -0.699 0.000 0.995 414 S CB -0.480 62.017 63.200 -1.172 0.000 0.781 414 S HN 0.435 nan 8.310 nan 0.000 0.496 415 R N 1.009 121.368 120.500 -0.234 0.000 2.148 415 R HA 0.045 4.385 4.340 -0.001 0.000 0.227 415 R C 1.418 177.634 176.300 -0.140 0.000 1.103 415 R CA 1.207 57.245 56.100 -0.105 0.000 0.983 415 R CB -0.320 29.987 30.300 0.013 0.000 0.874 415 R HN 0.355 nan 8.270 nan 0.000 0.451 416 V N -0.513 119.274 119.914 -0.212 0.000 3.539 416 V HA 0.250 4.369 4.120 -0.001 0.000 0.262 416 V C 0.621 176.577 176.094 -0.230 0.000 1.381 416 V CA -0.247 62.022 62.300 -0.051 0.000 1.060 416 V CB 0.169 32.029 31.823 0.061 0.000 0.842 416 V HN 0.160 nan 8.190 nan 0.000 0.445 417 L N 1.096 122.054 121.223 -0.441 0.000 2.313 417 L HA 0.426 4.765 4.340 -0.001 0.000 0.282 417 L C -1.127 175.409 176.870 -0.557 0.000 1.092 417 L CA 0.110 54.740 54.840 -0.350 0.000 0.831 417 L CB 0.584 42.472 42.059 -0.285 0.000 1.159 417 L HN 0.157 nan 8.230 nan 0.000 0.442 418 F N 5.438 125.414 119.950 0.043 0.000 2.769 418 F HA 0.464 4.990 4.527 -0.001 0.000 0.358 418 F C 0.037 175.857 175.800 0.033 0.000 1.285 418 F CA -0.510 57.517 58.000 0.045 0.000 1.199 418 F CB 0.692 39.702 39.000 0.017 0.000 1.558 418 F HN 0.461 nan 8.300 nan 0.000 0.583 419 R N 1.627 122.214 120.500 0.145 0.000 2.711 419 R HA 0.621 4.960 4.340 -0.001 0.000 0.284 419 R C -1.174 175.192 176.300 0.111 0.000 0.968 419 R CA -0.571 55.592 56.100 0.104 0.000 0.924 419 R CB 1.180 31.497 30.300 0.028 0.000 1.162 419 R HN 0.332 nan 8.270 nan 0.000 0.465 420 N N 1.333 120.097 118.700 0.107 0.000 2.260 420 N HA 0.206 4.945 4.740 -0.001 0.000 0.293 420 N C -0.780 174.771 175.510 0.069 0.000 1.058 420 N CA -0.450 52.655 53.050 0.092 0.000 0.824 420 N CB 2.328 40.879 38.487 0.107 0.000 1.551 420 N HN 0.780 nan 8.380 nan 0.000 0.475 421 T N -0.743 113.843 114.554 0.053 0.000 2.867 421 T HA 0.405 4.754 4.350 -0.001 0.000 0.286 421 T C 1.019 175.738 174.700 0.032 0.000 1.022 421 T CA -0.092 62.032 62.100 0.039 0.000 0.933 421 T CB 1.055 69.942 68.868 0.033 0.000 1.280 421 T HN 0.207 nan 8.240 nan 0.000 0.566 422 R N -0.022 120.490 120.500 0.020 0.000 2.300 422 R HA 0.323 4.662 4.340 -0.001 0.000 0.199 422 R C 1.691 178.014 176.300 0.039 0.000 0.920 422 R CA 0.329 56.447 56.100 0.030 0.000 1.046 422 R CB -0.975 29.314 30.300 -0.018 0.000 0.984 422 R HN 0.658 nan 8.270 nan 0.000 0.493 423 N N -0.907 117.807 118.700 0.023 0.000 2.368 423 N HA 0.002 4.741 4.740 -0.001 0.000 0.176 423 N C 1.603 177.124 175.510 0.018 0.000 1.021 423 N CA 1.185 54.246 53.050 0.018 0.000 0.888 423 N CB -0.192 38.301 38.487 0.010 0.000 0.995 423 N HN 0.248 nan 8.380 nan 0.000 0.437 424 G N 0.521 109.333 108.800 0.019 0.000 2.422 424 G HA2 -0.099 3.860 3.960 -0.001 0.000 0.218 424 G HA3 -0.099 3.860 3.960 -0.001 0.000 0.218 424 G C 0.472 175.367 174.900 -0.009 0.000 1.140 424 G CA 0.236 45.346 45.100 0.016 0.000 0.775 424 G HN 0.250 nan 8.290 nan 0.000 0.545 425 V N 0.345 120.239 119.914 -0.033 0.000 2.583 425 V HA 0.511 4.630 4.120 -0.001 0.000 0.287 425 V C 0.127 176.192 176.094 -0.047 0.000 1.051 425 V CA -0.576 61.663 62.300 -0.102 0.000 1.010 425 V CB 1.464 33.177 31.823 -0.183 0.000 0.988 425 V HN 0.184 nan 8.190 nan 0.000 0.478 426 K N 4.835 125.193 120.400 -0.070 0.000 2.901 426 K HA 0.508 4.827 4.320 -0.001 0.000 0.199 426 K C 0.475 177.027 176.600 -0.080 0.000 1.140 426 K CA 0.381 56.643 56.287 -0.043 0.000 1.030 426 K CB 0.247 32.731 32.500 -0.026 0.000 1.437 426 K HN 0.948 nan 8.250 nan 0.000 0.552 427 G N 1.008 109.727 108.800 -0.135 0.000 3.584 427 G HA2 0.114 4.073 3.960 -0.001 0.000 0.201 427 G HA3 0.114 4.073 3.960 -0.001 0.000 0.201 427 G C -0.492 174.239 174.900 -0.283 0.000 1.176 427 G CA -0.245 44.725 45.100 -0.217 0.000 0.902 427 G HN 0.217 nan 8.290 nan 0.000 0.678 428 F N 2.847 122.779 119.950 -0.029 0.000 2.389 428 F HA 0.451 4.977 4.527 -0.001 0.000 0.337 428 F C -0.918 174.881 175.800 -0.002 0.000 1.112 428 F CA -2.229 55.761 58.000 -0.016 0.000 1.192 428 F CB 0.939 39.926 39.000 -0.022 0.000 1.185 428 F HN -0.081 nan 8.300 nan 0.000 0.552 429 P HA 0.126 nan 4.420 nan 0.000 0.274 429 P C -1.403 175.968 177.300 0.118 0.000 1.260 429 P CA -0.447 62.745 63.100 0.153 0.000 0.793 429 P CB 0.840 32.630 31.700 0.151 0.000 1.048 430 K N 0.913 121.361 120.400 0.080 0.000 2.182 430 K HA 0.359 4.678 4.320 -0.001 0.000 0.262 430 K C 0.451 177.061 176.600 0.016 0.000 0.957 430 K CA -0.698 55.616 56.287 0.045 0.000 0.842 430 K CB 1.528 34.052 32.500 0.041 0.000 1.099 430 K HN 0.339 nan 8.250 nan 0.000 0.438 431 R N 2.035 122.511 120.500 -0.039 0.000 2.500 431 R HA 0.269 4.608 4.340 -0.001 0.000 0.275 431 R C -0.455 175.781 176.300 -0.106 0.000 1.051 431 R CA -0.307 55.748 56.100 -0.074 0.000 1.088 431 R CB 0.770 30.991 30.300 -0.131 0.000 1.063 431 R HN 0.689 nan 8.270 nan 0.000 0.511 432 E N 1.807 121.936 120.200 -0.118 0.000 2.378 432 E HA 0.183 4.532 4.350 -0.001 0.000 0.282 432 E C -1.090 175.324 176.600 -0.310 0.000 0.910 432 E CA -0.384 55.904 56.400 -0.186 0.000 0.816 432 E CB 2.001 31.657 29.700 -0.074 0.000 1.359 432 E HN 0.323 nan 8.360 nan 0.000 0.397 433 L N 2.760 123.709 121.223 -0.457 0.000 2.416 433 L HA 0.489 4.829 4.340 -0.001 0.000 0.262 433 L C -0.832 175.509 176.870 -0.882 0.000 1.093 433 L CA -0.329 54.174 54.840 -0.561 0.000 0.801 433 L CB 0.807 42.512 42.059 -0.590 0.000 1.191 433 L HN 0.577 nan 8.230 nan 0.000 0.459 434 H N 1.737 120.503 119.070 -0.508 0.000 3.059 434 H HA 0.180 4.736 4.556 -0.001 0.000 0.302 434 H C -1.001 174.093 175.328 -0.390 0.000 1.264 434 H CA -0.515 55.226 56.048 -0.512 0.000 1.615 434 H CB 0.969 30.090 29.762 -1.069 0.000 1.795 434 H HN 0.703 nan 8.280 nan 0.000 0.556 435 T N 0.948 115.382 114.554 -0.199 0.000 2.884 435 T HA 0.472 4.821 4.350 -0.001 0.000 0.298 435 T C 0.547 175.202 174.700 -0.075 0.000 0.998 435 T CA -0.551 61.451 62.100 -0.164 0.000 1.124 435 T CB 0.837 69.611 68.868 -0.156 0.000 0.931 435 T HN 0.214 nan 8.240 nan 0.000 0.531 436 I N 2.334 122.874 120.570 -0.051 0.000 2.448 436 I HA 0.338 4.508 4.170 -0.001 0.000 0.281 436 I C -0.424 175.687 176.117 -0.010 0.000 1.027 436 I CA -1.042 60.156 61.300 -0.170 0.000 1.111 436 I CB 1.518 39.140 38.000 -0.630 0.000 1.236 436 I HN 0.436 nan 8.210 nan 0.000 0.452 437 K N 6.218 126.608 120.400 -0.017 0.000 2.292 437 K HA 0.488 4.807 4.320 -0.001 0.000 0.290 437 K C -0.816 175.613 176.600 -0.284 0.000 1.083 437 K CA -0.159 55.992 56.287 -0.227 0.000 0.918 437 K CB 0.382 32.852 32.500 -0.049 0.000 1.089 437 K HN 0.338 nan 8.250 nan 0.000 0.473 438 L N 5.098 126.079 121.223 -0.403 0.000 2.317 438 L HA 0.461 4.800 4.340 -0.001 0.000 0.281 438 L C -2.202 174.569 176.870 -0.166 0.000 1.024 438 L CA -2.573 52.145 54.840 -0.203 0.000 0.810 438 L CB 1.190 43.176 42.059 -0.121 0.000 1.240 438 L HN 0.334 nan 8.230 nan 0.000 0.427 439 P HA 0.016 nan 4.420 nan 0.000 0.266 439 P C -0.418 176.878 177.300 -0.006 0.000 1.195 439 P CA -0.309 62.771 63.100 -0.033 0.000 0.768 439 P CB 0.322 32.026 31.700 0.006 0.000 0.838 440 L N 2.908 124.127 121.223 -0.007 0.000 2.416 440 L HA 0.449 4.788 4.340 -0.001 0.000 0.272 440 L C -2.574 174.350 176.870 0.090 0.000 1.161 440 L CA -1.957 52.898 54.840 0.025 0.000 0.845 440 L CB -1.020 41.039 42.059 -0.001 0.000 1.119 440 L HN 0.222 nan 8.230 nan 0.000 0.464 441 P HA 0.294 nan 4.420 nan 0.000 0.281 441 P C 0.906 178.305 177.300 0.165 0.000 1.252 441 P CA -0.247 62.978 63.100 0.209 0.000 0.778 441 P CB 0.938 32.853 31.700 0.359 0.000 0.895 442 T N -0.314 114.294 114.554 0.090 0.000 2.867 442 T HA -0.206 4.143 4.350 -0.001 0.000 0.268 442 T C 1.399 176.126 174.700 0.046 0.000 1.057 442 T CA 1.208 63.343 62.100 0.057 0.000 1.136 442 T CB -0.555 68.329 68.868 0.025 0.000 0.874 442 T HN 0.254 nan 8.240 nan 0.000 0.466 443 Q N 0.062 119.869 119.800 0.012 0.000 2.124 443 Q HA -0.000 4.339 4.340 -0.001 0.000 0.202 443 Q C 1.928 177.943 176.000 0.026 0.000 0.977 443 Q CA 1.441 57.208 55.803 -0.060 0.000 0.850 443 Q CB -0.624 27.990 28.738 -0.206 0.000 0.901 443 Q HN 0.570 nan 8.270 nan 0.000 0.429 444 Y N 1.417 121.741 120.300 0.040 0.000 2.145 444 Y HA -0.225 4.325 4.550 -0.001 0.000 0.286 444 Y C 2.206 178.128 175.900 0.037 0.000 1.145 444 Y CA 1.293 59.425 58.100 0.054 0.000 1.148 444 Y CB -0.412 38.079 38.460 0.052 0.000 0.981 444 Y HN 0.186 nan 8.280 nan 0.000 0.507 445 Q N -0.588 119.329 119.800 0.195 0.000 2.028 445 Q HA -0.310 4.030 4.340 -0.001 0.000 0.213 445 Q C 2.219 178.273 176.000 0.089 0.000 1.017 445 Q CA 3.095 58.960 55.803 0.102 0.000 0.875 445 Q CB -0.929 27.848 28.738 0.063 0.000 0.962 445 Q HN 0.616 nan 8.270 nan 0.000 0.413 446 T N -0.315 114.284 114.554 0.074 0.000 2.580 446 T HA -0.221 4.128 4.350 -0.001 0.000 0.265 446 T C 2.056 176.806 174.700 0.083 0.000 1.063 446 T CA 1.541 63.674 62.100 0.056 0.000 1.170 446 T CB -0.838 68.049 68.868 0.031 0.000 0.863 446 T HN 0.402 nan 8.240 nan 0.000 0.418 447 A N 1.324 124.218 122.820 0.123 0.000 2.042 447 A HA -0.017 4.302 4.320 -0.001 0.000 0.222 447 A C 2.442 180.129 177.584 0.172 0.000 1.167 447 A CA 1.789 53.928 52.037 0.170 0.000 0.649 447 A CB -0.948 18.202 19.000 0.251 0.000 0.809 447 A HN 0.704 nan 8.150 nan 0.000 0.457 448 I N -1.240 119.426 120.570 0.159 0.000 2.385 448 I HA -0.165 4.005 4.170 -0.001 0.000 0.244 448 I C 2.291 178.445 176.117 0.062 0.000 1.089 448 I CA 1.077 62.443 61.300 0.109 0.000 1.410 448 I CB -0.434 37.612 38.000 0.077 0.000 1.117 448 I HN 0.229 nan 8.210 nan 0.000 0.429 449 K N 1.032 121.460 120.400 0.047 0.000 2.089 449 K HA -0.189 4.130 4.320 -0.001 0.000 0.210 449 K C 2.031 178.638 176.600 0.012 0.000 1.048 449 K CA 1.642 57.940 56.287 0.019 0.000 0.926 449 K CB -0.591 31.919 32.500 0.015 0.000 0.714 449 K HN 0.140 nan 8.250 nan 0.000 0.448 450 V N 2.061 121.991 119.914 0.027 0.000 2.215 450 V HA -0.349 3.770 4.120 -0.001 0.000 0.249 450 V C 2.537 178.624 176.094 -0.011 0.000 1.054 450 V CA 2.443 64.750 62.300 0.012 0.000 1.012 450 V CB -1.059 30.788 31.823 0.039 0.000 0.639 450 V HN 0.499 nan 8.190 nan 0.000 0.448 451 S N 1.001 116.722 115.700 0.035 0.000 2.413 451 S HA -0.238 4.232 4.470 -0.001 0.000 0.237 451 S C 2.057 176.627 174.600 -0.050 0.000 1.044 451 S CA 1.642 59.852 58.200 0.018 0.000 1.024 451 S CB -1.444 61.859 63.200 0.172 0.000 0.829 451 S HN 0.704 nan 8.310 nan 0.000 0.475 452 G N 2.306 111.090 108.800 -0.027 0.000 2.476 452 G HA2 -0.059 3.900 3.960 -0.001 0.000 0.218 452 G HA3 -0.059 3.900 3.960 -0.001 0.000 0.218 452 G C 0.680 175.540 174.900 -0.068 0.000 1.164 452 G CA 1.054 46.129 45.100 -0.042 0.000 0.768 452 G HN 0.504 nan 8.290 nan 0.000 0.560 456 A N 0.875 123.648 122.820 -0.078 0.000 2.324 456 A HA 0.591 4.910 4.320 -0.001 0.000 0.240 456 A C 1.212 178.763 177.584 -0.055 0.000 1.347 456 A CA 0.105 52.104 52.037 -0.062 0.000 1.036 456 A CB -0.335 18.630 19.000 -0.059 0.000 0.917 456 A HN 0.262 nan 8.150 nan 0.000 0.519 457 R N 0.116 120.584 120.500 -0.054 0.000 2.652 457 R HA 0.465 4.805 4.340 -0.001 0.000 0.272 457 R C 0.465 176.743 176.300 -0.036 0.000 1.162 457 R CA -0.016 56.059 56.100 -0.042 0.000 1.199 457 R CB 0.168 30.447 30.300 -0.034 0.000 1.166 457 R HN 0.251 nan 8.270 nan 0.000 0.597 458 K N -0.090 120.292 120.400 -0.029 0.000 2.761 458 K HA 0.399 4.718 4.320 -0.001 0.000 0.286 458 K C -0.569 176.014 176.600 -0.029 0.000 1.019 458 K CA -0.344 55.926 56.287 -0.029 0.000 1.070 458 K CB 0.353 32.839 32.500 -0.024 0.000 1.387 458 K HN 0.563 nan 8.250 nan 0.000 0.509 459 S N -1.107 114.575 115.700 -0.030 0.000 3.066 459 S HA -0.155 4.314 4.470 -0.001 0.000 0.845 459 S C 0.781 175.354 174.600 -0.045 0.000 0.957 459 S CA 0.333 58.514 58.200 -0.032 0.000 1.344 459 S CB -0.842 62.346 63.200 -0.020 0.000 0.987 459 S HN 0.758 nan 8.310 nan 0.000 0.359 460 A N 4.802 127.585 122.820 -0.062 0.000 1.978 460 A HA -0.096 4.224 4.320 -0.001 0.000 0.220 460 A C 1.693 179.232 177.584 -0.076 0.000 1.170 460 A CA 1.868 53.855 52.037 -0.084 0.000 0.636 460 A CB -0.457 18.468 19.000 -0.125 0.000 0.810 460 A HN 0.953 nan 8.150 nan 0.000 0.448 461 E N 0.128 120.295 120.200 -0.055 0.000 2.502 461 E HA -0.092 4.257 4.350 -0.001 0.000 0.194 461 E C 1.054 177.631 176.600 -0.039 0.000 1.062 461 E CA 0.423 56.803 56.400 -0.033 0.000 0.867 461 E CB -0.024 29.678 29.700 0.002 0.000 0.888 461 E HN 0.859 nan 8.360 nan 0.000 0.510 462 D N 0.902 121.279 120.400 -0.038 0.000 2.144 462 D HA -0.189 4.450 4.640 -0.001 0.000 0.200 462 D C 1.058 177.336 176.300 -0.037 0.000 0.978 462 D CA 0.805 54.787 54.000 -0.030 0.000 0.833 462 D CB -0.058 40.727 40.800 -0.026 0.000 0.961 462 D HN 0.048 nan 8.370 nan 0.000 0.470 463 R N 0.200 120.670 120.500 -0.049 0.000 3.179 463 R HA 0.502 4.842 4.340 -0.001 0.000 0.317 463 R C 0.648 176.905 176.300 -0.071 0.000 1.331 463 R CA 0.026 56.093 56.100 -0.055 0.000 1.184 463 R CB 0.917 31.183 30.300 -0.056 0.000 1.408 463 R HN 0.225 nan 8.270 nan 0.000 0.598 464 A N 0.565 123.335 122.820 -0.084 0.000 2.759 464 A HA 0.153 4.472 4.320 -0.001 0.000 0.214 464 A C 1.378 178.846 177.584 -0.194 0.000 2.342 464 A CA -0.217 51.752 52.037 -0.113 0.000 1.364 464 A CB -0.063 18.885 19.000 -0.086 0.000 1.221 464 A HN 0.246 nan 8.150 nan 0.000 0.468 465 R N 0.889 121.230 120.500 -0.265 0.000 2.388 465 R HA -0.110 4.230 4.340 -0.001 0.000 0.233 465 R C -0.401 175.743 176.300 -0.260 0.000 1.156 465 R CA 0.904 56.776 56.100 -0.380 0.000 1.036 465 R CB -0.815 29.246 30.300 -0.399 0.000 0.847 465 R HN 0.620 nan 8.270 nan 0.000 0.483 469 Y N 0.349 120.607 120.300 -0.071 0.000 2.445 469 Y HA 0.390 4.939 4.550 -0.001 0.000 0.332 469 Y C -2.070 173.756 175.900 -0.124 0.000 1.037 469 Y CA -2.461 55.579 58.100 -0.099 0.000 1.296 469 Y CB 0.296 38.720 38.460 -0.060 0.000 1.099 469 Y HN -0.086 nan 8.280 nan 0.000 0.496 470 P HA -0.219 nan 4.420 nan 0.000 0.218 470 P C 0.913 178.184 177.300 -0.048 0.000 1.147 470 P CA 1.812 64.881 63.100 -0.051 0.000 0.827 470 P CB 0.547 32.114 31.700 -0.221 0.000 0.778 471 E N -0.389 119.699 120.200 -0.187 0.000 2.007 471 E HA -0.205 4.144 4.350 -0.001 0.000 0.203 471 E C 1.725 178.094 176.600 -0.386 0.000 1.020 471 E CA 0.897 56.970 56.400 -0.545 0.000 0.845 471 E CB -0.464 28.957 29.700 -0.465 0.000 0.779 471 E HN 0.122 nan 8.360 nan 0.000 0.466 472 R N 0.946 121.358 120.500 -0.148 0.000 4.160 472 R HA -0.021 4.318 4.340 -0.001 0.000 0.216 472 R C 0.327 176.595 176.300 -0.053 0.000 2.009 472 R CA 0.043 56.114 56.100 -0.048 0.000 1.664 472 R CB -0.105 30.205 30.300 0.016 0.000 1.216 472 R HN 0.237 nan 8.270 nan 0.000 0.648 473 I N -0.897 119.646 120.570 -0.046 0.000 4.624 473 I HA -0.061 4.108 4.170 -0.001 0.000 0.327 473 I C 1.257 177.391 176.117 0.028 0.000 1.295 473 I CA -0.059 61.219 61.300 -0.037 0.000 1.267 473 I CB -1.288 36.718 38.000 0.011 0.000 1.249 473 I HN 0.195 nan 8.210 nan 0.000 0.440 474 Y N 4.209 124.486 120.300 -0.037 0.000 2.079 474 Y HA -0.327 4.222 4.550 -0.001 0.000 0.267 474 Y C 2.760 178.685 175.900 0.042 0.000 1.104 474 Y CA 2.650 60.777 58.100 0.045 0.000 1.086 474 Y CB -0.658 37.869 38.460 0.111 0.000 0.989 474 Y HN 0.255 nan 8.280 nan 0.000 0.477 475 Q N 1.385 121.191 119.800 0.009 0.000 2.045 475 Q HA -0.341 3.998 4.340 -0.001 0.000 0.215 475 Q C 1.520 177.411 176.000 -0.182 0.000 1.026 475 Q CA 2.465 58.202 55.803 -0.111 0.000 0.885 475 Q CB -1.587 27.218 28.738 0.111 0.000 0.984 475 Q HN 0.821 nan 8.270 nan 0.000 0.414 476 E N 0.898 120.979 120.200 -0.198 0.000 1.939 476 E HA -0.192 4.157 4.350 -0.001 0.000 0.227 476 E C 0.468 176.924 176.600 -0.241 0.000 0.964 476 E CA 1.370 57.549 56.400 -0.368 0.000 0.881 476 E CB -0.651 28.571 29.700 -0.798 0.000 0.810 476 E HN 0.391 nan 8.360 nan 0.000 0.571 477 F N 1.220 121.143 119.950 -0.045 0.000 2.652 477 F HA 0.300 4.826 4.527 -0.001 0.000 0.352 477 F C 1.121 176.868 175.800 -0.087 0.000 1.259 477 F CA 0.119 58.089 58.000 -0.050 0.000 1.249 477 F CB -0.096 38.887 39.000 -0.027 0.000 1.628 477 F HN 0.310 nan 8.300 nan 0.000 0.654 478 E N 0.159 120.351 120.200 -0.014 0.000 2.876 478 E HA 0.250 4.599 4.350 -0.001 0.000 0.286 478 E C 1.028 177.523 176.600 -0.176 0.000 1.128 478 E CA 1.085 57.393 56.400 -0.154 0.000 2.071 478 E CB 0.141 29.583 29.700 -0.430 0.000 2.256 478 E HN 0.422 nan 8.360 nan 0.000 1.056 479 G N 1.277 109.925 108.800 -0.253 0.000 2.725 479 G HA2 -0.060 3.900 3.960 -0.001 0.000 0.100 479 G HA3 -0.060 3.900 3.960 -0.001 0.000 0.100 479 G C -1.055 173.755 174.900 -0.149 0.000 2.315 479 G CA 0.091 45.099 45.100 -0.152 0.000 1.153 479 G HN 0.273 nan 8.290 nan 0.000 0.325 480 D N 1.118 121.427 120.400 -0.152 0.000 2.443 480 D HA 0.310 4.949 4.640 -0.001 0.000 0.234 480 D C 1.072 177.408 176.300 0.060 0.000 1.172 480 D CA 0.443 54.452 54.000 0.015 0.000 0.878 480 D CB 0.634 41.555 40.800 0.202 0.000 1.204 480 D HN 0.309 nan 8.370 nan 0.000 0.453 481 N N 0.049 118.853 118.700 0.173 0.000 2.424 481 N HA 0.288 5.027 4.740 -0.001 0.000 0.178 481 N C -0.523 175.255 175.510 0.447 0.000 1.060 481 N CA 0.377 53.569 53.050 0.238 0.000 0.901 481 N CB 0.481 39.070 38.487 0.170 0.000 0.979 481 N HN 0.456 nan 8.380 nan 0.000 0.451 482 A N -2.128 120.948 122.820 0.428 0.000 2.581 482 A HA 0.593 4.912 4.320 -0.001 0.000 0.294 482 A C 0.043 177.344 177.584 -0.471 0.000 1.035 482 A CA -0.139 52.027 52.037 0.215 0.000 0.684 482 A CB 0.627 19.738 19.000 0.186 0.000 1.282 482 A HN -0.057 nan 8.150 nan 0.000 0.417 483 T N -1.029 112.747 114.554 -1.296 0.000 4.885 483 T HA -0.054 4.296 4.350 -0.001 0.000 0.303 483 T C 0.687 174.344 174.700 -1.739 0.000 0.970 483 T CA 1.351 62.296 62.100 -1.926 0.000 0.529 483 T CB -1.378 67.034 68.868 -0.759 0.000 0.849 483 T HN 1.815 nan 8.240 nan 0.000 0.594 484 W N 1.351 122.040 121.300 -1.018 0.000 2.504 484 W HA 0.100 4.759 4.660 -0.001 0.000 0.257 484 W C 1.188 177.498 176.519 -0.348 0.000 1.225 484 W CA 0.678 57.701 57.345 -0.538 0.000 1.205 484 W CB -0.984 28.321 29.460 -0.258 0.000 1.137 484 W HN 0.318 nan 8.180 nan 0.000 0.612 485 W N 1.674 122.531 121.300 -0.739 0.000 2.304 485 W HA -0.271 4.388 4.660 -0.001 0.000 0.315 485 W C 1.817 178.122 176.519 -0.357 0.000 1.233 485 W CA 1.595 58.633 57.345 -0.510 0.000 1.261 485 W CB -1.966 27.158 29.460 -0.560 0.000 1.150 485 W HN 0.202 nan 8.180 nan 0.000 0.494 486 N N -0.619 117.824 118.700 -0.428 0.000 2.236 486 N HA -0.011 4.728 4.740 -0.001 0.000 0.196 486 N C 0.871 176.286 175.510 -0.157 0.000 1.114 486 N CA 0.293 53.168 53.050 -0.292 0.000 0.859 486 N CB -0.363 37.946 38.487 -0.296 0.000 0.982 486 N HN -0.173 nan 8.380 nan 0.000 0.493 487 F N -0.010 119.932 119.950 -0.014 0.000 2.714 487 F HA 0.292 4.818 4.527 -0.001 0.000 0.294 487 F C -0.037 175.774 175.800 0.019 0.000 1.120 487 F CA -0.710 57.262 58.000 -0.046 0.000 1.398 487 F CB -0.549 38.351 39.000 -0.166 0.000 1.120 487 F HN 0.034 nan 8.300 nan 0.000 0.589 488 D N 0.662 121.207 120.400 0.241 0.000 2.256 488 D HA 0.249 4.888 4.640 -0.001 0.000 0.246 488 D C -2.171 174.294 176.300 0.276 0.000 1.042 488 D CA -2.503 51.684 54.000 0.312 0.000 0.841 488 D CB 1.504 42.585 40.800 0.468 0.000 1.223 488 D HN -0.157 nan 8.370 nan 0.000 0.470 489 P HA -0.114 nan 4.420 nan 0.000 0.230 489 P C 0.944 178.421 177.300 0.296 0.000 1.158 489 P CA 0.494 63.731 63.100 0.229 0.000 0.769 489 P CB 0.456 32.259 31.700 0.172 0.000 0.807 490 R N 0.128 120.829 120.500 0.335 0.000 2.113 490 R HA -0.115 4.224 4.340 -0.001 0.000 0.231 490 R C 2.383 178.937 176.300 0.424 0.000 1.129 490 R CA 1.965 58.323 56.100 0.430 0.000 0.915 490 R CB -1.491 29.124 30.300 0.524 0.000 0.837 490 R HN 0.027 nan 8.270 nan 0.000 0.430 491 V N 1.165 121.279 119.914 0.333 0.000 2.231 491 V HA -0.338 3.781 4.120 -0.001 0.000 0.250 491 V C 2.296 178.474 176.094 0.139 0.000 1.058 491 V CA 2.343 64.751 62.300 0.180 0.000 1.022 491 V CB -0.750 31.153 31.823 0.133 0.000 0.640 491 V HN 0.468 nan 8.190 nan 0.000 0.445 492 E N -0.564 119.739 120.200 0.172 0.000 2.136 492 E HA -0.327 4.023 4.350 -0.001 0.000 0.208 492 E C 2.051 178.765 176.600 0.189 0.000 1.035 492 E CA 2.528 59.021 56.400 0.154 0.000 0.838 492 E CB -0.285 29.523 29.700 0.180 0.000 0.748 492 E HN 0.805 nan 8.360 nan 0.000 0.459 493 W N 1.055 122.410 121.300 0.092 0.000 2.352 493 W HA -0.157 4.502 4.660 -0.001 0.000 0.322 493 W C 0.448 177.017 176.519 0.083 0.000 1.208 493 W CA 0.091 57.489 57.345 0.088 0.000 1.286 493 W CB -0.453 29.064 29.460 0.095 0.000 1.167 493 W HN -0.020 nan 8.180 nan 0.000 0.469 497 Y N 2.426 122.290 120.300 -0.727 0.000 2.224 497 Y HA 0.013 4.562 4.550 -0.001 0.000 0.289 497 Y C 2.665 178.422 175.900 -0.238 0.000 1.146 497 Y CA 2.039 59.791 58.100 -0.580 0.000 1.182 497 Y CB -0.190 37.673 38.460 -0.995 0.000 0.983 497 Y HN 0.238 nan 8.280 nan 0.000 0.524 498 L N -0.892 120.237 121.223 -0.158 0.000 1.924 498 L HA -0.306 4.034 4.340 -0.001 0.000 0.222 498 L C 2.612 179.422 176.870 -0.100 0.000 1.081 498 L CA 2.206 56.981 54.840 -0.107 0.000 0.780 498 L CB -1.975 40.011 42.059 -0.121 0.000 0.891 498 L HN 0.254 nan 8.230 nan 0.000 0.434 499 T N -0.857 113.631 114.554 -0.110 0.000 2.564 499 T HA -0.308 4.041 4.350 -0.001 0.000 0.264 499 T C 1.894 176.514 174.700 -0.134 0.000 1.100 499 T CA 2.262 64.300 62.100 -0.104 0.000 1.171 499 T CB -1.325 67.487 68.868 -0.094 0.000 0.863 499 T HN 0.514 nan 8.240 nan 0.000 0.430 500 S N 1.049 116.651 115.700 -0.163 0.000 2.493 500 S HA -0.146 4.323 4.470 -0.001 0.000 0.243 500 S C 0.908 175.176 174.600 -0.554 0.000 0.991 500 S CA 1.258 59.280 58.200 -0.295 0.000 0.957 500 S CB -0.637 62.399 63.200 -0.273 0.000 0.756 500 S HN 0.876 nan 8.310 nan 0.000 0.521 501 H N -0.525 118.365 119.070 -0.301 0.000 2.637 501 H HA 0.431 4.986 4.556 -0.001 0.000 0.245 501 H C 1.151 176.374 175.328 -0.175 0.000 1.190 501 H CA -0.597 55.288 56.048 -0.272 0.000 0.934 501 H CB 0.193 29.701 29.762 -0.422 0.000 1.950 501 H HN 0.162 nan 8.280 nan 0.000 0.614 502 R N 0.299 120.753 120.500 -0.077 0.000 2.249 502 R HA -0.120 4.219 4.340 -0.001 0.000 0.230 502 R C 1.555 177.817 176.300 -0.063 0.000 1.121 502 R CA 1.467 57.528 56.100 -0.065 0.000 0.997 502 R CB 0.150 30.407 30.300 -0.072 0.000 0.867 502 R HN 0.371 nan 8.270 nan 0.000 0.465 503 S N 0.271 115.928 115.700 -0.071 0.000 2.335 503 S HA -0.109 4.360 4.470 -0.001 0.000 0.217 503 S C 0.645 175.204 174.600 -0.068 0.000 1.032 503 S CA 0.562 58.721 58.200 -0.070 0.000 0.985 503 S CB -0.095 63.059 63.200 -0.078 0.000 0.896 503 S HN 0.154 nan 8.310 nan 0.000 0.445 504 Q N 1.619 121.388 119.800 -0.050 0.000 2.235 504 Q HA 0.493 4.832 4.340 -0.001 0.000 0.250 504 Q C -0.756 175.185 176.000 -0.098 0.000 0.909 504 Q CA -0.006 55.740 55.803 -0.096 0.000 0.910 504 Q CB 0.856 29.536 28.738 -0.096 0.000 1.223 504 Q HN 0.286 nan 8.270 nan 0.000 0.432 505 K N 1.498 121.804 120.400 -0.158 0.000 2.227 505 K HA 0.377 4.697 4.320 -0.001 0.000 0.280 505 K C -0.446 176.121 176.600 -0.056 0.000 1.041 505 K CA -0.342 55.894 56.287 -0.084 0.000 0.905 505 K CB 1.063 33.431 32.500 -0.219 0.000 1.068 505 K HN 0.335 nan 8.250 nan 0.000 0.470 506 V N 3.041 123.000 119.914 0.074 0.000 4.219 506 V HA 0.468 4.587 4.120 -0.001 0.000 0.275 506 V C -0.109 175.992 176.094 0.012 0.000 1.240 506 V CA -0.945 61.403 62.300 0.080 0.000 0.821 506 V CB 0.791 32.678 31.823 0.107 0.000 1.250 506 V HN 0.610 nan 8.190 nan 0.000 0.428 507 L N 0.448 121.615 121.223 -0.095 0.000 2.735 507 L HA 0.482 4.821 4.340 -0.001 0.000 0.258 507 L C -1.943 174.820 176.870 -0.179 0.000 0.920 507 L CA -0.153 54.527 54.840 -0.266 0.000 0.958 507 L CB 1.700 43.581 42.059 -0.298 0.000 1.499 507 L HN 0.455 nan 8.230 nan 0.000 0.441 508 V N 5.209 124.998 119.914 -0.209 0.000 2.656 508 V HA 0.618 4.737 4.120 -0.001 0.000 0.307 508 V C 0.109 176.148 176.094 -0.091 0.000 1.051 508 V CA -0.548 61.682 62.300 -0.116 0.000 0.893 508 V CB 2.334 34.084 31.823 -0.122 0.000 0.999 508 V HN 0.587 nan 8.190 nan 0.000 0.426 509 I N 2.998 123.561 120.570 -0.012 0.000 2.693 509 I HA 0.780 4.949 4.170 -0.001 0.000 0.303 509 I C -0.106 176.079 176.117 0.112 0.000 1.025 509 I CA -0.356 60.950 61.300 0.010 0.000 1.086 509 I CB 2.038 40.028 38.000 -0.017 0.000 1.268 509 I HN 0.848 nan 8.210 nan 0.000 0.440 510 C N 1.520 120.882 119.300 0.103 0.000 3.295 510 C HA 0.812 5.272 4.460 -0.001 0.000 0.370 510 C C 1.203 176.189 174.990 -0.007 0.000 1.974 510 C CA -0.346 58.781 59.018 0.181 0.000 1.282 510 C CB 0.672 28.619 27.740 0.344 0.000 2.380 510 C HN 0.869 nan 8.230 nan 0.000 0.443 511 A N 0.913 123.687 122.820 -0.077 0.000 1.881 511 A HA 0.214 4.533 4.320 -0.001 0.000 0.208 511 A C 0.705 178.290 177.584 0.002 0.000 1.264 511 A CA 1.494 53.432 52.037 -0.166 0.000 0.629 511 A CB -0.517 18.358 19.000 -0.208 0.000 0.906 511 A HN 0.860 nan 8.150 nan 0.000 0.476 512 K N -1.989 118.440 120.400 0.048 0.000 2.378 512 K HA 0.526 4.846 4.320 -0.001 0.000 0.252 512 K C 0.802 177.423 176.600 0.036 0.000 0.931 512 K CA 0.034 56.357 56.287 0.060 0.000 0.794 512 K CB 1.763 34.310 32.500 0.079 0.000 1.181 512 K HN 0.511 nan 8.250 nan 0.000 0.425 513 A N 3.720 126.532 122.820 -0.013 0.000 1.762 513 A HA -0.414 3.905 4.320 -0.001 0.000 0.285 513 A C 2.047 179.587 177.584 -0.073 0.000 2.926 513 A CA 3.326 55.279 52.037 -0.140 0.000 0.873 513 A CB -1.787 16.942 19.000 -0.451 0.000 0.820 513 A HN 1.092 nan 8.150 nan 0.000 0.524 514 A N -2.181 120.617 122.820 -0.037 0.000 1.957 514 A HA -0.364 3.955 4.320 -0.001 0.000 0.224 514 A C 2.545 180.199 177.584 0.116 0.000 1.287 514 A CA 4.180 56.243 52.037 0.043 0.000 0.682 514 A CB -1.879 17.174 19.000 0.088 0.000 0.833 514 A HN 1.494 nan 8.150 nan 0.000 0.482 515 T N -1.291 113.357 114.554 0.155 0.000 2.614 515 T HA -0.038 4.312 4.350 -0.001 0.000 0.263 515 T C 1.991 176.768 174.700 0.128 0.000 1.055 515 T CA 2.858 65.103 62.100 0.242 0.000 1.162 515 T CB -0.824 68.215 68.868 0.285 0.000 0.863 515 T HN 1.125 nan 8.240 nan 0.000 0.414 516 A N 2.219 125.079 122.820 0.066 0.000 1.929 516 A HA -0.124 4.195 4.320 -0.001 0.000 0.221 516 A C 2.497 180.071 177.584 -0.017 0.000 1.211 516 A CA 2.447 54.488 52.037 0.007 0.000 0.657 516 A CB -1.329 17.694 19.000 0.039 0.000 0.827 516 A HN 0.704 nan 8.150 nan 0.000 0.462 517 L N -1.357 119.866 121.223 -0.001 0.000 1.963 517 L HA -0.336 4.003 4.340 -0.001 0.000 0.220 517 L C 2.933 179.754 176.870 -0.081 0.000 1.076 517 L CA 2.145 56.972 54.840 -0.021 0.000 0.772 517 L CB -1.285 40.771 42.059 -0.005 0.000 0.892 517 L HN 0.472 nan 8.230 nan 0.000 0.435 518 Q N 0.291 120.049 119.800 -0.070 0.000 2.045 518 Q HA -0.220 4.120 4.340 -0.001 0.000 0.206 518 Q C 2.401 178.190 176.000 -0.351 0.000 0.991 518 Q CA 1.968 57.629 55.803 -0.236 0.000 0.851 518 Q CB -0.499 28.167 28.738 -0.120 0.000 0.911 518 Q HN 0.593 nan 8.270 nan 0.000 0.418 519 L N 0.817 121.912 121.223 -0.214 0.000 2.197 519 L HA -0.218 4.121 4.340 -0.001 0.000 0.215 519 L C 2.524 179.249 176.870 -0.243 0.000 1.095 519 L CA 1.129 55.818 54.840 -0.251 0.000 0.764 519 L CB -0.897 41.025 42.059 -0.229 0.000 0.897 519 L HN 0.234 nan 8.230 nan 0.000 0.436 520 E N 1.052 121.139 120.200 -0.189 0.000 2.007 520 E HA -0.279 4.070 4.350 -0.001 0.000 0.194 520 E C 2.093 178.586 176.600 -0.180 0.000 0.999 520 E CA 2.035 58.351 56.400 -0.141 0.000 0.811 520 E CB -0.132 29.518 29.700 -0.083 0.000 0.762 520 E HN 0.454 nan 8.360 nan 0.000 0.450 521 Q N 0.912 120.567 119.800 -0.241 0.000 1.948 521 Q HA -0.114 4.225 4.340 -0.001 0.000 0.205 521 Q C 2.368 178.182 176.000 -0.309 0.000 0.992 521 Q CA 2.483 58.129 55.803 -0.263 0.000 0.849 521 Q CB -1.032 27.516 28.738 -0.317 0.000 0.918 521 Q HN 0.188 nan 8.270 nan 0.000 0.421 522 V N 0.800 120.421 119.914 -0.487 0.000 2.352 522 V HA -0.354 3.766 4.120 -0.001 0.000 0.263 522 V C 2.377 178.319 176.094 -0.253 0.000 1.103 522 V CA 2.346 64.376 62.300 -0.449 0.000 1.099 522 V CB -0.808 30.676 31.823 -0.565 0.000 0.685 522 V HN 0.413 nan 8.190 nan 0.000 0.455 523 L N -1.426 119.668 121.223 -0.216 0.000 2.200 523 L HA 0.050 4.389 4.340 -0.001 0.000 0.200 523 L C 2.596 179.402 176.870 -0.108 0.000 1.072 523 L CA 1.145 55.897 54.840 -0.147 0.000 0.787 523 L CB -0.788 41.186 42.059 -0.143 0.000 0.957 523 L HN 0.123 nan 8.230 nan 0.000 0.459 524 R N 0.732 121.170 120.500 -0.102 0.000 2.140 524 R HA -0.238 4.101 4.340 -0.001 0.000 0.250 524 R C 1.854 178.122 176.300 -0.054 0.000 1.150 524 R CA 2.321 58.388 56.100 -0.055 0.000 0.966 524 R CB 0.023 30.291 30.300 -0.055 0.000 0.869 524 R HN 0.520 nan 8.270 nan 0.000 0.445 525 E N -1.122 119.029 120.200 -0.082 0.000 2.192 525 E HA 0.036 4.385 4.350 -0.001 0.000 0.196 525 E C 1.842 178.404 176.600 -0.063 0.000 0.922 525 E CA -0.297 56.064 56.400 -0.066 0.000 0.924 525 E CB 0.030 29.687 29.700 -0.071 0.000 0.911 525 E HN 0.260 nan 8.360 nan 0.000 0.478 526 R N 0.873 121.325 120.500 -0.081 0.000 2.417 526 R HA -0.092 4.247 4.340 -0.001 0.000 0.220 526 R C 0.932 177.199 176.300 -0.055 0.000 1.128 526 R CA 0.844 56.906 56.100 -0.064 0.000 1.048 526 R CB 0.066 30.320 30.300 -0.077 0.000 0.835 526 R HN 0.142 nan 8.270 nan 0.000 0.483 527 E N -1.497 118.667 120.200 -0.059 0.000 2.534 527 E HA 0.036 4.386 4.350 -0.001 0.000 0.179 527 E C -0.244 176.329 176.600 -0.046 0.000 0.916 527 E CA 0.538 56.907 56.400 -0.052 0.000 1.354 527 E CB 0.835 30.497 29.700 -0.063 0.000 1.321 527 E HN 0.300 nan 8.360 nan 0.000 0.663 528 G N 2.609 111.383 108.800 -0.043 0.000 2.261 528 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.220 528 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.220 528 G C -0.254 174.634 174.900 -0.020 0.000 0.572 528 G CA 0.862 45.947 45.100 -0.025 0.000 1.011 528 G HN 0.072 nan 8.290 nan 0.000 0.328 529 I N 1.228 121.788 120.570 -0.018 0.000 2.548 529 I HA 0.346 4.515 4.170 -0.001 0.000 0.287 529 I C 0.531 176.649 176.117 0.001 0.000 1.103 529 I CA -1.162 60.123 61.300 -0.024 0.000 1.049 529 I CB 1.864 39.828 38.000 -0.060 0.000 1.232 529 I HN 0.374 nan 8.210 nan 0.000 0.429 530 R N 4.051 124.566 120.500 0.026 0.000 2.816 530 R HA 0.411 4.750 4.340 -0.001 0.000 0.344 530 R C -0.285 175.875 176.300 -0.234 0.000 1.065 530 R CA 0.103 56.237 56.100 0.057 0.000 0.995 530 R CB -0.162 30.183 30.300 0.075 0.000 0.984 530 R HN 0.788 nan 8.270 nan 0.000 0.435 531 A N 1.863 124.639 122.820 -0.073 0.000 2.401 531 A HA 0.812 5.131 4.320 -0.001 0.000 0.310 531 A C -1.045 176.572 177.584 0.055 0.000 1.075 531 A CA -0.582 51.364 52.037 -0.152 0.000 0.746 531 A CB 1.961 20.896 19.000 -0.107 0.000 1.277 531 A HN 0.621 nan 8.150 nan 0.000 0.425 532 A N 0.901 123.721 122.820 0.000 0.000 2.413 532 A HA 0.747 5.066 4.320 -0.001 0.000 0.307 532 A C -0.561 177.072 177.584 0.081 0.000 1.087 532 A CA -0.498 51.658 52.037 0.198 0.000 0.750 532 A CB 1.150 20.368 19.000 0.365 0.000 1.296 532 A HN 1.180 nan 8.150 nan 0.000 0.423 533 V N 0.609 120.595 119.914 0.120 0.000 2.863 533 V HA 0.642 4.761 4.120 -0.001 0.000 0.307 533 V C -0.785 175.428 176.094 0.198 0.000 1.061 533 V CA -0.104 62.273 62.300 0.127 0.000 1.024 533 V CB 1.257 33.163 31.823 0.138 0.000 1.049 533 V HN 0.766 nan 8.190 nan 0.000 0.471 534 F N 3.889 123.862 119.950 0.039 0.000 2.839 534 F HA 0.590 5.116 4.527 -0.001 0.000 0.344 534 F C -0.562 175.281 175.800 0.072 0.000 1.242 534 F CA -0.562 57.439 58.000 0.001 0.000 1.091 534 F CB 1.061 40.038 39.000 -0.038 0.000 1.374 534 F HN 0.814 nan 8.300 nan 0.000 0.553 535 H N 1.158 120.355 119.070 0.212 0.000 2.977 535 H HA 0.507 5.062 4.556 -0.001 0.000 0.350 535 H C 0.038 175.439 175.328 0.122 0.000 1.238 535 H CA -0.930 55.229 56.048 0.185 0.000 1.124 535 H CB 1.077 30.898 29.762 0.098 0.000 1.866 535 H HN 0.247 nan 8.280 nan 0.000 0.550 536 E N 0.707 121.062 120.200 0.258 0.000 2.515 536 E HA 0.117 4.466 4.350 -0.001 0.000 0.201 536 E C 0.594 177.271 176.600 0.127 0.000 1.071 536 E CA 0.926 57.422 56.400 0.161 0.000 0.880 536 E CB -0.395 29.401 29.700 0.160 0.000 0.828 536 E HN 0.712 nan 8.360 nan 0.000 0.540 540 I N 3.535 124.081 120.570 -0.039 0.000 2.300 540 I HA -0.169 4.000 4.170 -0.001 0.000 0.252 540 I C 1.726 177.833 176.117 -0.016 0.000 1.119 540 I CA 1.524 62.828 61.300 0.006 0.000 1.384 540 I CB -0.231 37.803 38.000 0.057 0.000 1.062 540 I HN 0.670 nan 8.210 nan 0.000 0.426 541 I N -0.942 119.609 120.570 -0.032 0.000 3.526 541 I HA -0.003 4.167 4.170 -0.001 0.000 0.294 541 I C 2.275 178.359 176.117 -0.056 0.000 1.229 541 I CA 0.578 61.860 61.300 -0.031 0.000 1.408 541 I CB -1.028 36.959 38.000 -0.020 0.000 1.127 541 I HN 0.249 nan 8.210 nan 0.000 0.439 542 E N 1.345 121.492 120.200 -0.088 0.000 2.048 542 E HA -0.259 4.090 4.350 -0.001 0.000 0.202 542 E C 2.267 178.774 176.600 -0.156 0.000 1.021 542 E CA 1.840 58.169 56.400 -0.118 0.000 0.825 542 E CB -0.055 29.547 29.700 -0.162 0.000 0.756 542 E HN 0.369 nan 8.360 nan 0.000 0.454 543 R N 0.741 121.085 120.500 -0.260 0.000 2.113 543 R HA -0.201 4.138 4.340 -0.001 0.000 0.244 543 R C 2.059 178.321 176.300 -0.063 0.000 1.142 543 R CA 1.757 57.618 56.100 -0.398 0.000 0.953 543 R CB -0.500 29.538 30.300 -0.437 0.000 0.860 543 R HN 0.293 nan 8.270 nan 0.000 0.438 544 D N 0.370 120.769 120.400 -0.002 0.000 2.126 544 D HA -0.201 4.439 4.640 -0.001 0.000 0.190 544 D C 2.023 178.385 176.300 0.104 0.000 1.001 544 D CA 1.433 55.474 54.000 0.069 0.000 0.841 544 D CB -0.317 40.499 40.800 0.027 0.000 0.949 544 D HN 0.275 nan 8.370 nan 0.000 0.446 545 R N 0.845 121.381 120.500 0.061 0.000 2.097 545 R HA -0.130 4.209 4.340 -0.001 0.000 0.236 545 R C 2.525 178.936 176.300 0.185 0.000 1.135 545 R CA 1.540 57.692 56.100 0.087 0.000 0.934 545 R CB -0.571 29.748 30.300 0.031 0.000 0.846 545 R HN 0.150 nan 8.270 nan 0.000 0.431 546 A N 1.283 124.209 122.820 0.177 0.000 1.903 546 A HA -0.277 4.042 4.320 -0.001 0.000 0.219 546 A C 2.408 180.250 177.584 0.431 0.000 1.191 546 A CA 2.215 54.434 52.037 0.303 0.000 0.638 546 A CB -0.980 18.145 19.000 0.208 0.000 0.823 546 A HN 0.500 nan 8.150 nan 0.000 0.451 547 A N -0.343 122.753 122.820 0.459 0.000 1.865 547 A HA 0.087 4.406 4.320 -0.001 0.000 0.217 547 A C 2.586 180.439 177.584 0.448 0.000 1.191 547 A CA 2.635 55.017 52.037 0.574 0.000 0.623 547 A CB -1.269 18.047 19.000 0.527 0.000 0.826 547 A HN 1.290 nan 8.150 nan 0.000 0.444 548 A N -1.644 121.360 122.820 0.306 0.000 1.892 548 A HA -0.237 4.082 4.320 -0.001 0.000 0.218 548 A C 2.002 179.756 177.584 0.284 0.000 1.188 548 A CA 1.914 54.083 52.037 0.220 0.000 0.631 548 A CB -1.006 18.082 19.000 0.147 0.000 0.822 548 A HN 0.919 nan 8.150 nan 0.000 0.447 549 W N -0.418 120.962 121.300 0.133 0.000 2.374 549 W HA -0.128 4.532 4.660 -0.001 0.000 0.288 549 W C 1.706 178.336 176.519 0.185 0.000 1.218 549 W CA 1.228 58.643 57.345 0.117 0.000 1.245 549 W CB -0.643 28.879 29.460 0.103 0.000 1.126 549 W HN 0.360 nan 8.180 nan 0.000 0.545 550 F N 0.911 120.909 119.950 0.079 0.000 2.234 550 F HA 0.089 4.615 4.527 -0.001 0.000 0.296 550 F C 2.169 178.032 175.800 0.106 0.000 1.089 550 F CA 2.060 60.030 58.000 -0.050 0.000 1.343 550 F CB -0.844 38.163 39.000 0.012 0.000 1.040 550 F HN -0.123 nan 8.300 nan 0.000 0.498 551 A N -0.442 122.433 122.820 0.092 0.000 2.123 551 A HA -0.023 4.296 4.320 -0.001 0.000 0.214 551 A C 1.116 178.502 177.584 -0.330 0.000 1.152 551 A CA -0.043 51.805 52.037 -0.316 0.000 0.728 551 A CB -0.811 18.048 19.000 -0.234 0.000 0.814 551 A HN 0.384 nan 8.150 nan 0.000 0.464 552 E N 1.492 121.629 120.200 -0.106 0.000 2.491 552 E HA -0.032 4.318 4.350 -0.001 0.000 0.250 552 E C 1.100 177.633 176.600 -0.112 0.000 1.061 552 E CA 0.323 56.690 56.400 -0.055 0.000 0.942 552 E CB 0.358 30.122 29.700 0.107 0.000 0.957 552 E HN 0.550 nan 8.360 nan 0.000 0.480 553 E N 4.035 124.154 120.200 -0.135 0.000 2.984 553 E HA -0.356 3.994 4.350 -0.001 0.000 0.204 553 E C -0.397 176.129 176.600 -0.124 0.000 0.887 553 E CA 2.303 58.629 56.400 -0.124 0.000 1.571 553 E CB -0.520 29.136 29.700 -0.073 0.000 1.568 553 E HN 0.592 nan 8.360 nan 0.000 0.437 554 D N -0.159 120.192 120.400 -0.082 0.000 2.586 554 D HA 0.360 5.000 4.640 -0.001 0.000 0.254 554 D C -0.131 176.142 176.300 -0.044 0.000 1.248 554 D CA 0.585 54.534 54.000 -0.085 0.000 0.843 554 D CB 1.307 42.067 40.800 -0.067 0.000 1.332 554 D HN 0.483 nan 8.370 nan 0.000 0.523 555 T N -3.036 111.477 114.554 -0.068 0.000 3.425 555 T HA 0.227 4.576 4.350 -0.001 0.000 0.225 555 T C 1.538 176.034 174.700 -0.341 0.000 0.992 555 T CA -0.019 62.102 62.100 0.035 0.000 1.174 555 T CB -0.439 68.639 68.868 0.350 0.000 1.240 555 T HN 0.125 nan 8.240 nan 0.000 0.350 556 G N 1.527 109.644 108.800 -1.138 0.000 2.852 556 G HA2 0.457 4.416 3.960 -0.001 0.000 0.280 556 G HA3 0.457 4.416 3.960 -0.001 0.000 0.280 556 G C 1.172 175.698 174.900 -0.623 0.000 0.731 556 G CA 0.204 44.167 45.100 -1.894 0.000 2.037 556 G HN 0.771 nan 8.290 nan 0.000 0.560 557 A N 1.395 123.963 122.820 -0.420 0.000 1.971 557 A HA -0.095 4.224 4.320 -0.001 0.000 0.222 557 A C 1.433 179.011 177.584 -0.010 0.000 1.182 557 A CA 2.053 53.992 52.037 -0.162 0.000 0.649 557 A CB -0.094 18.827 19.000 -0.132 0.000 0.818 557 A HN 0.617 nan 8.150 nan 0.000 0.458 558 Q N -2.876 116.846 119.800 -0.129 0.000 2.482 558 Q HA 0.572 4.911 4.340 -0.001 0.000 0.286 558 Q C -1.479 174.257 176.000 -0.439 0.000 1.007 558 Q CA -0.187 55.503 55.803 -0.189 0.000 0.801 558 Q CB 1.910 30.548 28.738 -0.165 0.000 1.455 558 Q HN 0.523 nan 8.270 nan 0.000 0.398 559 V N 4.043 123.527 119.914 -0.716 0.000 2.540 559 V HA 0.591 4.710 4.120 -0.001 0.000 0.302 559 V C -1.342 174.507 176.094 -0.409 0.000 1.035 559 V CA -0.694 61.212 62.300 -0.655 0.000 0.873 559 V CB 1.432 32.575 31.823 -1.133 0.000 0.992 559 V HN 0.824 nan 8.190 nan 0.000 0.428 560 L N 7.558 128.654 121.223 -0.212 0.000 2.315 560 L HA 0.354 4.693 4.340 -0.001 0.000 0.278 560 L C 0.108 176.943 176.870 -0.057 0.000 1.088 560 L CA -0.408 54.352 54.840 -0.134 0.000 0.899 560 L CB 1.004 43.015 42.059 -0.079 0.000 1.277 560 L HN 0.470 nan 8.230 nan 0.000 0.431 561 L N 3.156 124.301 121.223 -0.130 0.000 2.437 561 L HA 0.106 4.445 4.340 -0.001 0.000 0.243 561 L C 0.593 177.467 176.870 0.006 0.000 1.346 561 L CA 0.352 55.140 54.840 -0.086 0.000 1.233 561 L CB 0.113 42.033 42.059 -0.231 0.000 1.436 561 L HN 0.700 nan 8.230 nan 0.000 0.416 562 C N 1.600 120.945 119.300 0.075 0.000 2.711 562 C HA 0.443 4.902 4.460 -0.001 0.000 0.306 562 C C 1.774 176.826 174.990 0.103 0.000 1.479 562 C CA 0.676 59.743 59.018 0.082 0.000 2.271 562 C CB 0.840 28.633 27.740 0.089 0.000 2.155 562 C HN 1.039 nan 8.230 nan 0.000 0.674 563 S N 0.958 116.705 115.700 0.079 0.000 3.109 563 S HA -0.236 4.233 4.470 -0.001 0.000 0.632 563 S C -0.437 174.203 174.600 0.067 0.000 2.927 563 S CA 1.334 59.584 58.200 0.082 0.000 3.233 563 S CB -1.476 61.800 63.200 0.126 0.000 0.325 563 S HN 1.158 nan 8.310 nan 0.000 1.720 564 E N 0.739 120.986 120.200 0.080 0.000 2.284 564 E HA 0.738 5.087 4.350 -0.001 0.000 0.255 564 E C 0.592 177.251 176.600 0.097 0.000 1.052 564 E CA -0.479 55.958 56.400 0.061 0.000 0.904 564 E CB 0.593 30.323 29.700 0.050 0.000 1.217 564 E HN 1.386 nan 8.360 nan 0.000 0.438 565 I N -4.292 116.326 120.570 0.081 0.000 4.161 565 I HA 0.324 4.493 4.170 -0.001 0.000 0.401 565 I C 0.779 176.941 176.117 0.074 0.000 0.994 565 I CA 0.193 61.558 61.300 0.107 0.000 1.238 565 I CB -0.170 37.907 38.000 0.129 0.000 2.804 565 I HN 0.878 nan 8.210 nan 0.000 0.839 566 G N 1.850 110.678 108.800 0.047 0.000 2.611 566 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.301 566 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.301 566 G C 0.791 175.701 174.900 0.016 0.000 1.233 566 G CA 0.790 45.908 45.100 0.030 0.000 0.993 566 G HN 0.444 nan 8.290 nan 0.000 0.553 567 S N 1.224 116.929 115.700 0.009 0.000 2.603 567 S HA 0.249 4.719 4.470 -0.001 0.000 0.220 567 S C 0.760 175.351 174.600 -0.015 0.000 0.967 567 S CA 1.229 59.424 58.200 -0.008 0.000 0.920 567 S CB -0.009 63.177 63.200 -0.022 0.000 0.773 567 S HN 1.210 nan 8.310 nan 0.000 0.529 568 E N 2.127 122.332 120.200 0.009 0.000 0.981 568 E HA -0.191 4.158 4.350 -0.001 0.000 0.304 568 E C 1.070 177.644 176.600 -0.044 0.000 1.010 568 E CA 0.481 56.893 56.400 0.020 0.000 1.090 568 E CB -1.334 28.408 29.700 0.071 0.000 0.712 568 E HN 0.309 nan 8.360 nan 0.000 0.321 569 G N 5.496 114.254 108.800 -0.071 0.000 2.833 569 G HA2 -0.412 3.547 3.960 -0.001 0.000 0.226 569 G HA3 -0.412 3.547 3.960 -0.001 0.000 0.226 569 G C 0.278 175.085 174.900 -0.154 0.000 1.228 569 G CA 1.012 46.038 45.100 -0.122 0.000 0.779 569 G HN 0.720 nan 8.290 nan 0.000 0.651 570 R N 0.946 121.356 120.500 -0.150 0.000 2.543 570 R HA -0.057 4.282 4.340 -0.001 0.000 0.280 570 R C -0.131 175.865 176.300 -0.505 0.000 0.885 570 R CA 0.455 56.399 56.100 -0.261 0.000 1.130 570 R CB -0.075 30.126 30.300 -0.165 0.000 0.871 570 R HN 0.352 nan 8.270 nan 0.000 0.424 571 N N 1.494 119.888 118.700 -0.509 0.000 2.502 571 N HA 0.401 5.140 4.740 -0.001 0.000 0.280 571 N C -0.661 174.423 175.510 -0.709 0.000 1.223 571 N CA -0.305 52.450 53.050 -0.491 0.000 0.966 571 N CB 0.833 39.217 38.487 -0.172 0.000 1.203 571 N HN 0.334 nan 8.380 nan 0.000 0.565 572 F N 0.489 120.473 119.950 0.056 0.000 2.577 572 F HA 0.276 4.802 4.527 -0.001 0.000 0.359 572 F C 1.419 177.080 175.800 -0.231 0.000 1.535 572 F CA -0.426 57.525 58.000 -0.082 0.000 1.093 572 F CB 0.133 38.975 39.000 -0.262 0.000 1.613 572 F HN 0.280 nan 8.300 nan 0.000 0.558 573 Q N 0.154 120.083 119.800 0.215 0.000 2.077 573 Q HA -0.221 4.118 4.340 -0.001 0.000 0.206 573 Q C 2.039 178.098 176.000 0.099 0.000 0.989 573 Q CA 2.619 58.516 55.803 0.157 0.000 0.853 573 Q CB -0.389 28.460 28.738 0.186 0.000 0.907 573 Q HN 0.676 nan 8.270 nan 0.000 0.418 574 F N 0.961 120.911 119.950 0.000 0.000 2.161 574 F HA 0.030 4.556 4.527 -0.001 0.000 0.300 574 F C 1.155 176.877 175.800 -0.129 0.000 1.089 574 F CA 0.115 58.064 58.000 -0.085 0.000 1.282 574 F CB -1.276 37.645 39.000 -0.131 0.000 1.010 574 F HN -0.106 nan 8.300 nan 0.000 0.485 575 A N 0.250 122.566 122.820 -0.839 0.000 2.406 575 A HA 0.522 4.841 4.320 -0.001 0.000 0.243 575 A C 1.098 178.526 177.584 -0.261 0.000 1.082 575 A CA 0.359 52.079 52.037 -0.528 0.000 0.786 575 A CB -0.032 18.674 19.000 -0.490 0.000 1.029 575 A HN 0.640 nan 8.150 nan 0.000 0.495 576 S N -0.955 114.630 115.700 -0.192 0.000 2.475 576 S HA 0.177 4.646 4.470 -0.001 0.000 0.270 576 S C 0.284 174.983 174.600 0.164 0.000 1.026 576 S CA -0.132 58.046 58.200 -0.037 0.000 1.437 576 S CB -0.557 62.602 63.200 -0.068 0.000 1.215 576 S HN 0.823 nan 8.310 nan 0.000 0.648 582 D N 1.072 121.372 120.400 -0.166 0.000 2.621 582 D HA 0.698 5.337 4.640 -0.001 0.000 0.255 582 D C -1.166 175.103 176.300 -0.053 0.000 1.122 582 D CA -0.140 53.692 54.000 -0.280 0.000 1.096 582 D CB 2.267 42.744 40.800 -0.539 0.000 1.282 582 D HN 0.089 nan 8.370 nan 0.000 0.619 583 L N 1.904 123.201 121.223 0.125 0.000 2.555 583 L HA 0.268 4.608 4.340 -0.001 0.000 0.264 583 L C -2.429 174.708 176.870 0.446 0.000 0.972 583 L CA -1.617 53.364 54.840 0.235 0.000 0.876 583 L CB 2.545 44.769 42.059 0.276 0.000 1.216 583 L HN 0.088 nan 8.230 nan 0.000 0.415 584 P HA -0.061 nan 4.420 nan 0.000 0.265 584 P C 0.024 177.449 177.300 0.207 0.000 1.187 584 P CA 0.012 63.170 63.100 0.097 0.000 0.766 584 P CB 0.271 31.869 31.700 -0.169 0.000 0.820 585 F N 0.292 120.371 119.950 0.214 0.000 2.811 585 F HA 0.376 4.903 4.527 -0.001 0.000 0.292 585 F C 0.404 176.245 175.800 0.068 0.000 1.240 585 F CA -1.155 56.920 58.000 0.125 0.000 1.422 585 F CB -1.238 37.812 39.000 0.083 0.000 1.045 585 F HN 0.158 nan 8.300 nan 0.000 0.512 586 N N 0.400 119.064 118.700 -0.060 0.000 2.666 586 N HA 0.198 4.937 4.740 -0.001 0.000 0.260 586 N C -2.291 173.131 175.510 -0.147 0.000 1.077 586 N CA -1.672 51.199 53.050 -0.299 0.000 1.026 586 N CB 1.872 40.250 38.487 -0.181 0.000 1.653 586 N HN -0.232 nan 8.380 nan 0.000 0.533 587 P HA -0.163 nan 4.420 nan 0.000 0.214 587 P C 0.151 177.416 177.300 -0.058 0.000 1.163 587 P CA 1.618 64.742 63.100 0.040 0.000 0.889 587 P CB 0.330 31.958 31.700 -0.119 0.000 0.790 588 D N 0.397 120.740 120.400 -0.094 0.000 2.116 588 D HA -0.160 4.479 4.640 -0.001 0.000 0.193 588 D C 2.157 178.401 176.300 -0.093 0.000 0.998 588 D CA 1.108 55.066 54.000 -0.071 0.000 0.836 588 D CB -1.171 39.608 40.800 -0.035 0.000 0.951 588 D HN 0.202 nan 8.370 nan 0.000 0.449 589 L N 0.106 121.261 121.223 -0.114 0.000 2.131 589 L HA -0.112 4.227 4.340 -0.001 0.000 0.210 589 L C 2.422 179.198 176.870 -0.157 0.000 1.092 589 L CA 0.530 55.287 54.840 -0.138 0.000 0.759 589 L CB -0.370 41.565 42.059 -0.206 0.000 0.903 589 L HN 0.123 nan 8.230 nan 0.000 0.435 590 L N -0.114 120.994 121.223 -0.192 0.000 2.005 590 L HA -0.209 4.131 4.340 -0.001 0.000 0.207 590 L C 2.621 179.345 176.870 -0.244 0.000 1.072 590 L CA 1.318 55.987 54.840 -0.286 0.000 0.744 590 L CB -0.066 41.654 42.059 -0.565 0.000 0.895 590 L HN 0.208 nan 8.230 nan 0.000 0.433 591 E N -0.035 120.035 120.200 -0.216 0.000 2.130 591 E HA -0.304 4.045 4.350 -0.001 0.000 0.196 591 E C 2.126 178.644 176.600 -0.136 0.000 0.998 591 E CA 1.731 58.022 56.400 -0.182 0.000 0.806 591 E CB -0.022 29.588 29.700 -0.151 0.000 0.738 591 E HN 0.563 nan 8.360 nan 0.000 0.459 592 Q N -0.483 119.249 119.800 -0.114 0.000 2.046 592 Q HA -0.089 4.250 4.340 -0.001 0.000 0.200 592 Q C 2.328 178.282 176.000 -0.077 0.000 0.975 592 Q CA 1.147 56.903 55.803 -0.080 0.000 0.836 592 Q CB -0.157 28.543 28.738 -0.064 0.000 0.896 592 Q HN 0.186 nan 8.270 nan 0.000 0.428 593 R N 0.415 120.857 120.500 -0.098 0.000 2.119 593 R HA -0.180 4.160 4.340 -0.001 0.000 0.246 593 R C 2.127 178.382 176.300 -0.074 0.000 1.146 593 R CA 1.456 57.505 56.100 -0.086 0.000 0.962 593 R CB -0.392 29.844 30.300 -0.107 0.000 0.863 593 R HN 0.371 nan 8.270 nan 0.000 0.442 594 I N -0.932 119.583 120.570 -0.091 0.000 2.716 594 I HA -0.025 4.145 4.170 -0.001 0.000 0.259 594 I C 2.401 178.486 176.117 -0.053 0.000 1.172 594 I CA 0.695 61.952 61.300 -0.073 0.000 1.478 594 I CB -0.545 37.394 38.000 -0.102 0.000 1.104 594 I HN 0.200 nan 8.210 nan 0.000 0.439 595 G N 1.739 110.501 108.800 -0.062 0.000 2.499 595 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.221 595 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.221 595 G C 1.712 176.613 174.900 0.002 0.000 1.109 595 G CA 0.470 45.545 45.100 -0.042 0.000 0.749 595 G HN 0.217 nan 8.290 nan 0.000 0.568 596 R N -0.429 120.076 120.500 0.008 0.000 2.193 596 R HA 0.220 4.559 4.340 -0.001 0.000 0.213 596 R C 2.048 178.395 176.300 0.078 0.000 1.055 596 R CA 0.402 56.531 56.100 0.048 0.000 0.995 596 R CB -0.317 30.018 30.300 0.057 0.000 0.893 596 R HN 0.434 nan 8.270 nan 0.000 0.459 597 L N -0.688 120.566 121.223 0.051 0.000 2.685 597 L HA 0.154 4.494 4.340 -0.001 0.000 0.235 597 L C 0.478 177.399 176.870 0.085 0.000 1.070 597 L CA -0.076 54.801 54.840 0.063 0.000 0.888 597 L CB 0.221 42.300 42.059 0.033 0.000 1.203 597 L HN -0.106 nan 8.230 nan 0.000 0.499 598 D N 1.987 122.424 120.400 0.060 0.000 2.982 598 D HA 0.040 4.679 4.640 -0.001 0.000 0.238 598 D C 0.218 176.660 176.300 0.237 0.000 1.168 598 D CA 0.215 54.257 54.000 0.070 0.000 0.947 598 D CB 0.046 40.803 40.800 -0.071 0.000 1.147 598 D HN 0.101 nan 8.370 nan 0.000 0.450 599 R N 0.274 120.988 120.500 0.357 0.000 2.832 599 R HA 0.447 4.786 4.340 -0.001 0.000 0.271 599 R C 1.394 177.799 176.300 0.174 0.000 0.996 599 R CA -0.939 55.481 56.100 0.533 0.000 0.977 599 R CB 1.420 31.860 30.300 0.232 0.000 1.168 599 R HN 0.054 nan 8.270 nan 0.000 0.482 600 I N 0.968 121.255 120.570 -0.471 0.000 2.076 600 I HA -0.241 3.929 4.170 -0.001 0.000 0.237 600 I C 2.445 178.435 176.117 -0.212 0.000 1.059 600 I CA 1.995 62.934 61.300 -0.601 0.000 1.317 600 I CB -0.666 36.858 38.000 -0.795 0.000 1.037 600 I HN 0.948 nan 8.210 nan 0.000 0.398 601 G N 0.631 109.340 108.800 -0.151 0.000 2.556 601 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.220 601 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.220 601 G C 0.849 175.737 174.900 -0.020 0.000 1.156 601 G CA 0.401 45.453 45.100 -0.080 0.000 0.766 601 G HN 0.381 nan 8.290 nan 0.000 0.583 602 Q N 0.469 120.277 119.800 0.014 0.000 2.375 602 Q HA 0.240 4.579 4.340 -0.001 0.000 0.344 602 Q C 0.319 176.363 176.000 0.073 0.000 1.169 602 Q CA 0.759 56.597 55.803 0.057 0.000 1.035 602 Q CB 0.305 29.090 28.738 0.079 0.000 1.222 602 Q HN 0.378 nan 8.270 nan 0.000 0.412 603 A N 1.862 124.755 122.820 0.122 0.000 2.299 603 A HA 0.656 4.975 4.320 -0.001 0.000 0.332 603 A C -0.595 177.190 177.584 0.334 0.000 1.131 603 A CA -0.186 51.977 52.037 0.209 0.000 0.844 603 A CB 0.738 19.915 19.000 0.295 0.000 1.251 603 A HN 0.929 nan 8.150 nan 0.000 0.486 604 H N -0.353 118.736 119.070 0.033 0.000 1.452 604 H HA -0.159 4.396 4.556 -0.001 0.000 0.090 604 H C -1.174 174.187 175.328 0.055 0.000 0.900 604 H CA 1.323 57.399 56.048 0.046 0.000 1.901 604 H CB -0.964 28.831 29.762 0.055 0.000 2.257 604 H HN 0.759 nan 8.280 nan 0.000 0.961 605 D N 0.196 120.743 120.400 0.244 0.000 2.602 605 D HA 0.434 5.073 4.640 -0.001 0.000 0.245 605 D C -0.421 175.973 176.300 0.157 0.000 1.325 605 D CA -0.677 53.414 54.000 0.151 0.000 0.952 605 D CB 1.108 41.976 40.800 0.113 0.000 1.317 605 D HN 0.423 nan 8.370 nan 0.000 0.577 606 I N 1.484 122.129 120.570 0.125 0.000 3.224 606 I HA -0.122 4.047 4.170 -0.001 0.000 0.306 606 I C 0.503 176.691 176.117 0.118 0.000 1.231 606 I CA 0.968 62.340 61.300 0.119 0.000 1.421 606 I CB 0.239 38.280 38.000 0.069 0.000 1.315 606 I HN 0.324 nan 8.210 nan 0.000 0.581 607 Q N 4.870 124.751 119.800 0.136 0.000 2.350 607 Q HA 0.507 4.846 4.340 -0.001 0.000 0.255 607 Q C -1.013 175.037 176.000 0.083 0.000 0.951 607 Q CA -0.337 55.525 55.803 0.097 0.000 0.751 607 Q CB 1.976 30.715 28.738 0.001 0.000 1.296 607 Q HN 0.506 nan 8.270 nan 0.000 0.453 608 I N 2.270 122.836 120.570 -0.006 0.000 2.437 608 I HA 0.358 4.528 4.170 -0.001 0.000 0.298 608 I C -0.239 175.754 176.117 -0.208 0.000 0.984 608 I CA -0.615 60.654 61.300 -0.051 0.000 1.214 608 I CB 1.120 39.068 38.000 -0.086 0.000 1.365 608 I HN 0.408 nan 8.210 nan 0.000 0.469 609 H N 5.368 124.382 119.070 -0.092 0.000 2.924 609 H HA 0.280 4.835 4.556 -0.001 0.000 0.333 609 H C -1.007 174.270 175.328 -0.086 0.000 0.979 609 H CA -0.537 55.448 56.048 -0.104 0.000 1.326 609 H CB 2.179 31.831 29.762 -0.184 0.000 1.600 609 H HN 0.321 nan 8.280 nan 0.000 0.520 610 V N 2.482 122.348 119.914 -0.079 0.000 2.320 610 V HA 0.303 4.422 4.120 -0.001 0.000 0.265 610 V C -2.385 173.708 176.094 -0.002 0.000 1.048 610 V CA -2.063 60.202 62.300 -0.059 0.000 0.865 610 V CB 1.141 32.838 31.823 -0.210 0.000 1.043 610 V HN 0.536 nan 8.190 nan 0.000 0.474 611 P HA 0.217 nan 4.420 nan 0.000 0.219 611 P C -0.725 176.654 177.300 0.132 0.000 1.832 611 P CA -0.041 63.070 63.100 0.018 0.000 1.014 611 P CB -0.486 31.379 31.700 0.275 0.000 1.939 612 Y N 1.084 121.342 120.300 -0.070 0.000 2.354 612 Y HA 0.552 5.101 4.550 -0.001 0.000 0.322 612 Y C -0.741 175.142 175.900 -0.028 0.000 1.253 612 Y CA -2.075 56.005 58.100 -0.035 0.000 1.272 612 Y CB 0.585 39.036 38.460 -0.015 0.000 1.255 612 Y HN -0.047 nan 8.280 nan 0.000 0.500 613 L N 3.618 124.719 121.223 -0.204 0.000 2.295 613 L HA 0.333 4.673 4.340 -0.001 0.000 0.285 613 L C 0.153 176.824 176.870 -0.332 0.000 1.035 613 L CA -1.048 53.614 54.840 -0.296 0.000 0.806 613 L CB 1.508 43.486 42.059 -0.135 0.000 1.214 613 L HN 0.849 nan 8.230 nan 0.000 0.426 614 E N 3.369 123.351 120.200 -0.363 0.000 2.398 614 E HA 0.078 4.427 4.350 -0.001 0.000 0.263 614 E C -0.296 176.253 176.600 -0.086 0.000 1.046 614 E CA -0.519 55.761 56.400 -0.201 0.000 0.908 614 E CB 0.498 30.105 29.700 -0.155 0.000 0.963 614 E HN 0.565 nan 8.360 nan 0.000 0.431 615 K N -0.212 120.171 120.400 -0.028 0.000 3.407 615 K HA -0.160 4.159 4.320 -0.001 0.000 0.312 615 K C -0.612 175.958 176.600 -0.051 0.000 1.302 615 K CA 1.277 57.544 56.287 -0.033 0.000 0.931 615 K CB -2.117 30.362 32.500 -0.035 0.000 1.257 615 K HN 0.694 nan 8.250 nan 0.000 0.454 616 T N -0.864 113.665 114.554 -0.041 0.000 2.949 616 T HA 0.567 4.916 4.350 -0.001 0.000 0.287 616 T C 1.431 176.117 174.700 -0.023 0.000 1.034 616 T CA -0.264 61.797 62.100 -0.065 0.000 1.018 616 T CB 1.769 70.575 68.868 -0.103 0.000 1.135 616 T HN 0.163 nan 8.240 nan 0.000 0.532 617 A N 0.482 123.270 122.820 -0.054 0.000 1.933 617 A HA -0.111 4.208 4.320 -0.001 0.000 0.218 617 A C 2.173 179.772 177.584 0.025 0.000 1.175 617 A CA 1.625 53.637 52.037 -0.042 0.000 0.628 617 A CB -0.750 18.191 19.000 -0.098 0.000 0.814 617 A HN 0.724 nan 8.150 nan 0.000 0.444 618 Q N 0.046 119.878 119.800 0.054 0.000 2.170 618 Q HA -0.126 4.214 4.340 -0.001 0.000 0.203 618 Q C 2.204 178.337 176.000 0.221 0.000 0.976 618 Q CA 1.756 57.645 55.803 0.144 0.000 0.858 618 Q CB -0.438 28.383 28.738 0.138 0.000 0.907 618 Q HN 0.639 nan 8.270 nan 0.000 0.433 619 S N -1.027 114.835 115.700 0.270 0.000 2.383 619 S HA -0.154 4.316 4.470 -0.001 0.000 0.229 619 S C 1.851 176.581 174.600 0.215 0.000 1.030 619 S CA 1.497 59.957 58.200 0.432 0.000 1.002 619 S CB -0.582 62.817 63.200 0.333 0.000 0.829 619 S HN 0.440 nan 8.310 nan 0.000 0.467 620 V N 1.099 121.097 119.914 0.139 0.000 2.270 620 V HA -0.049 4.070 4.120 -0.001 0.000 0.245 620 V C 2.309 178.540 176.094 0.229 0.000 1.043 620 V CA 1.903 64.279 62.300 0.126 0.000 1.014 620 V CB -1.310 30.511 31.823 -0.003 0.000 0.645 620 V HN 0.557 nan 8.190 nan 0.000 0.447 621 L N 0.220 121.581 121.223 0.229 0.000 2.081 621 L HA -0.168 4.171 4.340 -0.001 0.000 0.212 621 L C 2.687 179.889 176.870 0.553 0.000 1.080 621 L CA 1.765 56.854 54.840 0.416 0.000 0.754 621 L CB -1.169 41.164 42.059 0.457 0.000 0.893 621 L HN 0.318 nan 8.230 nan 0.000 0.433 622 V N 0.012 120.107 119.914 0.301 0.000 2.214 622 V HA -0.322 3.797 4.120 -0.001 0.000 0.245 622 V C 2.670 178.900 176.094 0.226 0.000 1.047 622 V CA 2.090 64.477 62.300 0.145 0.000 0.998 622 V CB -0.677 30.912 31.823 -0.389 0.000 0.633 622 V HN 0.404 nan 8.190 nan 0.000 0.446 623 R N -1.517 119.076 120.500 0.154 0.000 2.117 623 R HA -0.265 4.074 4.340 -0.001 0.000 0.243 623 R C 2.080 178.543 176.300 0.271 0.000 1.143 623 R CA 2.472 58.684 56.100 0.188 0.000 0.968 623 R CB -0.354 30.123 30.300 0.295 0.000 0.863 623 R HN 0.684 nan 8.270 nan 0.000 0.444 624 W N -0.156 121.233 121.300 0.150 0.000 2.418 624 W HA -0.167 4.492 4.660 -0.001 0.000 0.319 624 W C 1.477 178.036 176.519 0.068 0.000 1.183 624 W CA 1.215 58.596 57.345 0.062 0.000 1.327 624 W CB -0.904 28.548 29.460 -0.014 0.000 1.163 624 W HN 0.017 nan 8.180 nan 0.000 0.479 625 Y N -0.538 119.868 120.300 0.178 0.000 2.516 625 Y HA -0.265 4.285 4.550 -0.001 0.000 0.284 625 Y C 2.489 178.326 175.900 -0.105 0.000 1.166 625 Y CA 2.309 60.277 58.100 -0.220 0.000 1.350 625 Y CB -0.907 37.460 38.460 -0.155 0.000 0.967 625 Y HN 0.352 nan 8.280 nan 0.000 0.568 626 H N -2.079 117.124 119.070 0.220 0.000 2.302 626 H HA 0.008 4.564 4.556 -0.001 0.000 0.252 626 H C 1.963 177.274 175.328 -0.029 0.000 1.017 626 H CA 0.476 56.633 56.048 0.181 0.000 1.404 626 H CB 0.122 30.008 29.762 0.208 0.000 1.394 626 H HN -0.032 nan 8.280 nan 0.000 0.560 627 E N 0.591 120.751 120.200 -0.066 0.000 2.171 627 E HA -0.106 4.244 4.350 -0.001 0.000 0.197 627 E C 2.013 178.519 176.600 -0.157 0.000 0.997 627 E CA 1.549 57.824 56.400 -0.208 0.000 0.810 627 E CB -0.592 29.000 29.700 -0.179 0.000 0.738 627 E HN 0.604 nan 8.360 nan 0.000 0.467 628 G N -0.868 107.809 108.800 -0.205 0.000 2.494 628 G HA2 0.079 4.038 3.960 -0.001 0.000 0.216 628 G HA3 0.079 4.038 3.960 -0.001 0.000 0.216 628 G C 0.414 175.043 174.900 -0.451 0.000 1.140 628 G CA 0.848 45.743 45.100 -0.342 0.000 0.801 628 G HN 0.291 nan 8.290 nan 0.000 0.536 629 L N -2.932 117.986 121.223 -0.509 0.000 3.441 629 L HA 0.350 4.689 4.340 -0.001 0.000 0.363 629 L C -0.537 175.976 176.870 -0.596 0.000 1.333 629 L CA -1.350 53.079 54.840 -0.684 0.000 0.926 629 L CB -1.206 40.326 42.059 -0.878 0.000 1.304 629 L HN -0.059 nan 8.230 nan 0.000 0.596 630 D N 2.182 122.484 120.400 -0.164 0.000 3.025 630 D HA -0.229 4.410 4.640 -0.001 0.000 0.201 630 D C 1.116 177.345 176.300 -0.119 0.000 1.267 630 D CA 1.091 55.117 54.000 0.044 0.000 0.736 630 D CB 0.068 41.009 40.800 0.236 0.000 0.883 630 D HN 0.745 nan 8.370 nan 0.000 0.388 631 A N 1.812 124.470 122.820 -0.270 0.000 2.267 631 A HA 0.160 4.479 4.320 -0.001 0.000 0.213 631 A C 1.544 178.856 177.584 -0.453 0.000 1.192 631 A CA -0.109 51.702 52.037 -0.376 0.000 0.851 631 A CB 0.019 18.754 19.000 -0.443 0.000 0.881 631 A HN 0.356 nan 8.150 nan 0.000 0.494 632 F N 0.309 120.104 119.950 -0.259 0.000 2.387 632 F HA 0.097 4.624 4.527 -0.001 0.000 0.294 632 F C 2.079 177.675 175.800 -0.341 0.000 1.093 632 F CA 1.255 59.069 58.000 -0.310 0.000 1.420 632 F CB 0.137 38.904 39.000 -0.390 0.000 1.086 632 F HN 0.258 nan 8.300 nan 0.000 0.531 633 E N -1.637 118.405 120.200 -0.263 0.000 2.476 633 E HA 0.086 4.435 4.350 -0.001 0.000 0.199 633 E C -0.401 175.785 176.600 -0.691 0.000 1.021 633 E CA 0.245 56.346 56.400 -0.499 0.000 0.907 633 E CB 0.329 29.633 29.700 -0.659 0.000 0.974 633 E HN 0.297 nan 8.360 nan 0.000 0.489 634 H N 0.566 119.600 119.070 -0.061 0.000 2.966 634 H HA 0.084 4.639 4.556 -0.001 0.000 0.347 634 H C -0.280 175.000 175.328 -0.080 0.000 1.048 634 H CA -0.823 55.196 56.048 -0.048 0.000 1.295 634 H CB 1.440 31.204 29.762 0.004 0.000 1.744 634 H HN -0.014 nan 8.280 nan 0.000 0.513 635 T N -0.230 114.330 114.554 0.009 0.000 2.800 635 T HA -0.028 4.321 4.350 -0.001 0.000 0.283 635 T C 0.563 175.252 174.700 -0.018 0.000 0.999 635 T CA -0.163 61.899 62.100 -0.064 0.000 1.176 635 T CB -0.600 68.201 68.868 -0.110 0.000 0.973 635 T HN 0.576 nan 8.240 nan 0.000 0.519 636 C N 9.136 128.398 119.300 -0.063 0.000 2.176 636 C HA 0.483 4.943 4.460 -0.001 0.000 0.329 636 C C -0.171 174.802 174.990 -0.029 0.000 1.113 636 C CA -1.763 57.235 59.018 -0.032 0.000 1.562 636 C CB 0.157 27.797 27.740 -0.166 0.000 2.040 636 C HN 0.877 nan 8.230 nan 0.000 0.460 637 P HA -0.094 nan 4.420 nan 0.000 0.214 637 P C 1.606 178.923 177.300 0.029 0.000 1.162 637 P CA 2.469 65.575 63.100 0.010 0.000 0.871 637 P CB -0.245 31.463 31.700 0.013 0.000 0.783 638 T N -2.355 112.235 114.554 0.060 0.000 2.685 638 T HA -0.203 4.146 4.350 -0.001 0.000 0.268 638 T C 2.060 176.796 174.700 0.059 0.000 1.034 638 T CA 1.835 63.980 62.100 0.075 0.000 1.149 638 T CB -1.924 67.033 68.868 0.147 0.000 0.860 638 T HN 0.224 nan 8.240 nan 0.000 0.449 639 G N 2.882 111.689 108.800 0.012 0.000 3.903 639 G HA2 -0.514 3.445 3.960 -0.001 0.000 0.260 639 G HA3 -0.514 3.445 3.960 -0.001 0.000 0.260 639 G C 1.334 176.306 174.900 0.120 0.000 0.882 639 G CA 2.140 47.234 45.100 -0.010 0.000 0.749 639 G HN 0.700 nan 8.290 nan 0.000 1.415 640 R N 0.096 120.682 120.500 0.143 0.000 2.162 640 R HA -0.132 4.207 4.340 -0.001 0.000 0.245 640 R C 2.945 179.377 176.300 0.219 0.000 1.129 640 R CA 2.825 59.092 56.100 0.278 0.000 0.940 640 R CB -1.445 28.965 30.300 0.183 0.000 0.875 640 R HN 0.536 nan 8.270 nan 0.000 0.437 641 T N 1.029 115.661 114.554 0.129 0.000 2.564 641 T HA -0.251 4.098 4.350 -0.001 0.000 0.264 641 T C 1.925 176.692 174.700 0.111 0.000 1.100 641 T CA 2.285 64.442 62.100 0.095 0.000 1.171 641 T CB -0.445 68.467 68.868 0.072 0.000 0.863 641 T HN 0.255 nan 8.240 nan 0.000 0.430 642 I N -0.208 120.442 120.570 0.134 0.000 2.127 642 I HA -0.196 3.973 4.170 -0.001 0.000 0.241 642 I C 2.268 178.522 176.117 0.229 0.000 1.075 642 I CA 1.597 62.989 61.300 0.154 0.000 1.334 642 I CB -0.517 37.563 38.000 0.133 0.000 1.040 642 I HN 0.229 nan 8.210 nan 0.000 0.405 643 Y N 2.339 122.727 120.300 0.146 0.000 2.617 643 Y HA -0.304 4.245 4.550 -0.001 0.000 0.284 643 Y C 1.730 177.653 175.900 0.039 0.000 1.162 643 Y CA 1.244 59.431 58.100 0.146 0.000 1.399 643 Y CB -0.681 37.858 38.460 0.132 0.000 0.962 643 Y HN 0.343 nan 8.280 nan 0.000 0.576 644 D N -1.278 119.116 120.400 -0.009 0.000 2.394 644 D HA -0.099 4.541 4.640 -0.001 0.000 0.237 644 D C 2.252 178.550 176.300 -0.003 0.000 1.028 644 D CA 1.563 55.510 54.000 -0.088 0.000 0.937 644 D CB -1.005 39.781 40.800 -0.022 0.000 1.072 644 D HN 0.335 nan 8.370 nan 0.000 0.457 645 S N 0.867 116.587 115.700 0.033 0.000 2.559 645 S HA -0.124 4.345 4.470 -0.001 0.000 0.250 645 S C 1.837 176.462 174.600 0.043 0.000 0.977 645 S CA 1.285 59.509 58.200 0.039 0.000 0.958 645 S CB -0.716 62.510 63.200 0.044 0.000 0.751 645 S HN 0.264 nan 8.310 nan 0.000 0.534 646 V N -4.578 115.364 119.914 0.046 0.000 3.151 646 V HA 0.201 4.320 4.120 -0.001 0.000 0.241 646 V C 1.753 177.877 176.094 0.048 0.000 1.173 646 V CA 0.153 62.477 62.300 0.039 0.000 1.154 646 V CB -1.416 30.443 31.823 0.060 0.000 0.898 646 V HN 0.261 nan 8.190 nan 0.000 0.473 647 Y N 3.643 123.841 120.300 -0.170 0.000 1.559 647 Y HA -0.493 4.056 4.550 -0.001 0.000 0.145 647 Y C 2.554 178.377 175.900 -0.128 0.000 0.873 647 Y CA 2.637 60.610 58.100 -0.212 0.000 0.722 647 Y CB -1.528 36.786 38.460 -0.243 0.000 0.665 647 Y HN 0.598 nan 8.280 nan 0.000 0.664 648 N N 0.335 118.926 118.700 -0.181 0.000 2.247 648 N HA -0.196 4.543 4.740 -0.001 0.000 0.189 648 N C 1.044 176.492 175.510 -0.102 0.000 1.009 648 N CA 2.194 55.074 53.050 -0.283 0.000 0.872 648 N CB -0.439 37.912 38.487 -0.227 0.000 0.980 648 N HN 0.575 nan 8.380 nan 0.000 0.436 649 D N -0.713 119.670 120.400 -0.029 0.000 2.213 649 D HA -0.031 4.608 4.640 -0.001 0.000 0.205 649 D C 1.795 178.116 176.300 0.035 0.000 0.961 649 D CA 0.444 54.453 54.000 0.014 0.000 0.853 649 D CB -0.041 40.768 40.800 0.015 0.000 0.967 649 D HN 0.275 nan 8.370 nan 0.000 0.496 650 L N 0.674 121.887 121.223 -0.016 0.000 2.145 650 L HA 0.157 4.496 4.340 -0.001 0.000 0.201 650 L C 1.902 178.779 176.870 0.012 0.000 1.075 650 L CA 0.967 55.751 54.840 -0.093 0.000 0.773 650 L CB -0.835 41.096 42.059 -0.213 0.000 0.936 650 L HN 0.063 nan 8.230 nan 0.000 0.451 651 I N 1.542 122.128 120.570 0.026 0.000 2.462 651 I HA -0.413 3.756 4.170 -0.001 0.000 0.259 651 I C 1.836 177.967 176.117 0.023 0.000 1.156 651 I CA 1.414 62.732 61.300 0.029 0.000 1.417 651 I CB -0.052 37.943 38.000 -0.008 0.000 1.088 651 I HN 0.470 nan 8.210 nan 0.000 0.442 652 N N 0.730 119.474 118.700 0.074 0.000 2.006 652 N HA -0.259 4.480 4.740 -0.001 0.000 0.196 652 N C 1.571 177.112 175.510 0.051 0.000 1.057 652 N CA 2.035 55.123 53.050 0.062 0.000 0.853 652 N CB -1.050 37.513 38.487 0.127 0.000 1.051 652 N HN 0.360 nan 8.380 nan 0.000 0.423 653 Y N 1.131 121.372 120.300 -0.099 0.000 2.271 653 Y HA -0.142 4.407 4.550 -0.001 0.000 0.284 653 Y C 2.146 177.958 175.900 -0.147 0.000 1.189 653 Y CA 0.724 58.742 58.100 -0.136 0.000 1.229 653 Y CB -0.768 37.591 38.460 -0.169 0.000 0.973 653 Y HN 0.086 nan 8.280 nan 0.000 0.537 654 L N -1.238 120.004 121.223 0.032 0.000 2.023 654 L HA -0.139 4.200 4.340 -0.001 0.000 0.205 654 L C 2.724 179.557 176.870 -0.062 0.000 1.073 654 L CA 0.955 55.774 54.840 -0.036 0.000 0.745 654 L CB -1.122 40.912 42.059 -0.042 0.000 0.900 654 L HN 0.155 nan 8.230 nan 0.000 0.435 655 A N -1.158 121.627 122.820 -0.059 0.000 2.054 655 A HA -0.195 4.124 4.320 -0.001 0.000 0.223 655 A C 1.231 178.769 177.584 -0.077 0.000 1.169 655 A CA 1.901 53.897 52.037 -0.069 0.000 0.655 655 A CB -0.296 18.663 19.000 -0.068 0.000 0.812 655 A HN 0.389 nan 8.150 nan 0.000 0.462 656 S N -1.881 113.764 115.700 -0.091 0.000 2.482 656 S HA 0.387 4.856 4.470 -0.001 0.000 0.295 656 S C -2.696 171.822 174.600 -0.137 0.000 1.038 656 S CA -0.565 57.574 58.200 -0.102 0.000 0.968 656 S CB 1.161 64.305 63.200 -0.095 0.000 1.182 656 S HN 0.125 nan 8.310 nan 0.000 0.441 657 P HA 0.242 nan 4.420 nan 0.000 0.310 657 P C -0.419 176.788 177.300 -0.155 0.000 1.399 657 P CA 0.999 63.998 63.100 -0.168 0.000 0.849 657 P CB -0.207 31.404 31.700 -0.148 0.000 2.098 658 D N -1.425 118.902 120.400 -0.121 0.000 2.739 658 D HA -0.211 4.428 4.640 -0.001 0.000 0.230 658 D C 0.247 176.493 176.300 -0.091 0.000 1.167 658 D CA 0.849 54.799 54.000 -0.084 0.000 0.640 658 D CB -1.280 39.480 40.800 -0.066 0.000 1.045 658 D HN 0.375 nan 8.370 nan 0.000 0.421 659 Q N -1.344 118.382 119.800 -0.124 0.000 2.894 659 Q HA 0.234 4.573 4.340 -0.001 0.000 0.328 659 Q C -1.101 174.804 176.000 -0.158 0.000 0.807 659 Q CA 0.448 56.177 55.803 -0.124 0.000 0.831 659 Q CB 0.710 29.360 28.738 -0.148 0.000 1.389 659 Q HN 0.578 nan 8.270 nan 0.000 0.489 660 T N 0.345 114.810 114.554 -0.148 0.000 1.247 660 T HA -0.132 4.217 4.350 -0.001 0.000 0.692 660 T C 0.575 175.337 174.700 0.104 0.000 0.971 660 T CA 0.975 63.006 62.100 -0.115 0.000 3.665 660 T CB -0.543 68.013 68.868 -0.519 0.000 2.085 660 T HN 0.699 nan 8.240 nan 0.000 0.386 661 E N 2.355 122.628 120.200 0.121 0.000 2.112 661 E HA -0.023 4.327 4.350 -0.001 0.000 0.190 661 E C 2.463 179.200 176.600 0.228 0.000 0.979 661 E CA 1.739 58.241 56.400 0.170 0.000 0.814 661 E CB -0.806 28.953 29.700 0.099 0.000 0.762 661 E HN 0.922 nan 8.360 nan 0.000 0.460 662 G N 1.139 110.065 108.800 0.211 0.000 2.549 662 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.222 662 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.222 662 G C 1.346 176.405 174.900 0.266 0.000 1.100 662 G CA 0.855 46.078 45.100 0.204 0.000 0.739 662 G HN 0.355 nan 8.290 nan 0.000 0.577 663 F N 3.535 123.636 119.950 0.252 0.000 2.053 663 F HA -0.359 4.167 4.527 -0.001 0.000 0.295 663 F C 2.417 178.257 175.800 0.065 0.000 1.102 663 F CA 2.232 60.357 58.000 0.208 0.000 1.225 663 F CB -0.764 38.408 39.000 0.286 0.000 0.961 663 F HN 0.439 nan 8.300 nan 0.000 0.495 664 D N -0.514 119.746 120.400 -0.234 0.000 2.123 664 D HA -0.242 4.397 4.640 -0.001 0.000 0.196 664 D C 1.662 177.855 176.300 -0.179 0.000 0.992 664 D CA 1.854 55.642 54.000 -0.355 0.000 0.833 664 D CB -1.214 39.475 40.800 -0.184 0.000 0.954 664 D HN 0.464 nan 8.370 nan 0.000 0.455 665 D N 0.071 120.436 120.400 -0.059 0.000 2.218 665 D HA -0.099 4.540 4.640 -0.001 0.000 0.204 665 D C 2.081 178.364 176.300 -0.028 0.000 0.976 665 D CA 0.556 54.541 54.000 -0.024 0.000 0.853 665 D CB 0.275 41.087 40.800 0.021 0.000 0.939 665 D HN 0.260 nan 8.370 nan 0.000 0.481 666 L N 0.577 121.779 121.223 -0.036 0.000 2.102 666 L HA 0.009 4.348 4.340 -0.001 0.000 0.202 666 L C 2.573 179.433 176.870 -0.016 0.000 1.076 666 L CA 0.758 55.584 54.840 -0.022 0.000 0.761 666 L CB -1.384 40.644 42.059 -0.053 0.000 0.921 666 L HN 0.027 nan 8.230 nan 0.000 0.444 667 I N 0.113 120.632 120.570 -0.085 0.000 2.118 667 I HA -0.344 3.825 4.170 -0.001 0.000 0.241 667 I C 2.548 178.623 176.117 -0.071 0.000 1.070 667 I CA 1.391 62.657 61.300 -0.058 0.000 1.327 667 I CB -0.509 37.362 38.000 -0.214 0.000 1.034 667 I HN 0.257 nan 8.210 nan 0.000 0.405 668 K N 0.751 121.091 120.400 -0.100 0.000 2.020 668 K HA -0.284 4.036 4.320 -0.001 0.000 0.212 668 K C 1.931 178.510 176.600 -0.034 0.000 1.050 668 K CA 2.343 58.589 56.287 -0.069 0.000 0.929 668 K CB -0.623 31.837 32.500 -0.067 0.000 0.714 668 K HN 0.299 nan 8.250 nan 0.000 0.443 669 N N 0.588 119.277 118.700 -0.019 0.000 2.091 669 N HA -0.215 4.524 4.740 -0.001 0.000 0.193 669 N C 1.642 177.162 175.510 0.017 0.000 1.021 669 N CA 2.063 55.115 53.050 0.005 0.000 0.862 669 N CB -0.099 38.397 38.487 0.016 0.000 1.018 669 N HN 0.215 nan 8.380 nan 0.000 0.429 670 C N -0.692 118.621 119.300 0.022 0.000 2.476 670 C HA 0.147 4.606 4.460 -0.001 0.000 0.278 670 C C 2.506 177.495 174.990 -0.003 0.000 1.274 670 C CA 0.238 59.268 59.018 0.021 0.000 1.713 670 C CB -1.158 26.598 27.740 0.027 0.000 2.039 670 C HN 0.475 nan 8.230 nan 0.000 0.484 671 R N 1.356 121.837 120.500 -0.033 0.000 2.249 671 R HA -0.100 4.239 4.340 -0.001 0.000 0.230 671 R C 1.699 178.024 176.300 0.042 0.000 1.121 671 R CA 1.275 57.376 56.100 0.001 0.000 0.997 671 R CB -0.461 29.821 30.300 -0.030 0.000 0.867 671 R HN 0.633 nan 8.270 nan 0.000 0.465 672 E N -0.753 119.459 120.200 0.020 0.000 2.033 672 E HA -0.123 4.226 4.350 -0.001 0.000 0.189 672 E C 1.953 178.566 176.600 0.022 0.000 0.979 672 E CA 1.093 57.501 56.400 0.014 0.000 0.802 672 E CB -0.017 29.686 29.700 0.005 0.000 0.763 672 E HN 0.385 nan 8.360 nan 0.000 0.449 673 Q N -0.168 119.654 119.800 0.037 0.000 2.020 673 Q HA -0.241 4.099 4.340 -0.001 0.000 0.202 673 Q C 2.165 178.198 176.000 0.055 0.000 0.982 673 Q CA 1.692 57.519 55.803 0.041 0.000 0.838 673 Q CB -0.318 28.451 28.738 0.052 0.000 0.899 673 Q HN 0.337 nan 8.270 nan 0.000 0.423 674 H N 1.148 120.195 119.070 -0.038 0.000 2.261 674 H HA -0.216 4.339 4.556 -0.001 0.000 0.290 674 H C 1.896 177.196 175.328 -0.046 0.000 1.081 674 H CA 2.301 58.318 56.048 -0.052 0.000 1.196 674 H CB -0.126 29.588 29.762 -0.079 0.000 1.350 674 H HN 0.118 nan 8.280 nan 0.000 0.498 675 E N 0.078 120.182 120.200 -0.160 0.000 2.065 675 E HA -0.211 4.139 4.350 -0.001 0.000 0.201 675 E C 2.418 178.924 176.600 -0.158 0.000 1.016 675 E CA 1.617 57.884 56.400 -0.220 0.000 0.818 675 E CB -0.901 28.744 29.700 -0.092 0.000 0.749 675 E HN 0.599 nan 8.360 nan 0.000 0.453 676 A N 0.256 123.028 122.820 -0.080 0.000 1.873 676 A HA -0.219 4.100 4.320 -0.001 0.000 0.218 676 A C 2.165 179.712 177.584 -0.061 0.000 1.193 676 A CA 1.890 53.894 52.037 -0.055 0.000 0.629 676 A CB -0.810 18.175 19.000 -0.024 0.000 0.826 676 A HN 0.341 nan 8.150 nan 0.000 0.447 677 L N 0.559 121.747 121.223 -0.059 0.000 2.240 677 L HA -0.070 4.269 4.340 -0.001 0.000 0.211 677 L C 2.318 179.139 176.870 -0.081 0.000 1.106 677 L CA 2.472 57.285 54.840 -0.046 0.000 0.793 677 L CB -0.737 41.317 42.059 -0.008 0.000 0.927 677 L HN 0.621 nan 8.230 nan 0.000 0.446 678 K N -0.107 120.194 120.400 -0.165 0.000 2.009 678 K HA -0.113 4.207 4.320 -0.001 0.000 0.210 678 K C 1.898 178.428 176.600 -0.117 0.000 1.049 678 K CA 1.744 57.919 56.287 -0.187 0.000 0.929 678 K CB -0.938 31.357 32.500 -0.341 0.000 0.714 678 K HN 0.189 nan 8.250 nan 0.000 0.440 679 A N 1.037 123.790 122.820 -0.111 0.000 2.070 679 A HA -0.205 4.114 4.320 -0.001 0.000 0.220 679 A C 2.214 179.769 177.584 -0.048 0.000 1.159 679 A CA 1.672 53.664 52.037 -0.074 0.000 0.656 679 A CB -0.610 18.349 19.000 -0.069 0.000 0.800 679 A HN 0.589 nan 8.150 nan 0.000 0.453 680 Q N 0.588 120.361 119.800 -0.045 0.000 1.927 680 Q HA -0.142 4.198 4.340 -0.001 0.000 0.210 680 Q C 1.746 177.737 176.000 -0.015 0.000 1.001 680 Q CA 2.286 58.075 55.803 -0.025 0.000 0.862 680 Q CB -0.852 27.874 28.738 -0.020 0.000 0.934 680 Q HN 0.540 nan 8.270 nan 0.000 0.420 681 L N 0.706 121.922 121.223 -0.012 0.000 2.191 681 L HA -0.153 4.186 4.340 -0.001 0.000 0.212 681 L C 2.599 179.469 176.870 -0.000 0.000 1.103 681 L CA 1.051 55.893 54.840 0.003 0.000 0.769 681 L CB -0.601 41.464 42.059 0.010 0.000 0.908 681 L HN 0.427 nan 8.230 nan 0.000 0.438 682 E N 1.098 121.287 120.200 -0.019 0.000 2.007 682 E HA -0.282 4.067 4.350 -0.001 0.000 0.203 682 E C 1.758 178.353 176.600 -0.009 0.000 1.020 682 E CA 1.727 58.115 56.400 -0.021 0.000 0.845 682 E CB -0.269 29.407 29.700 -0.042 0.000 0.779 682 E HN 0.493 nan 8.360 nan 0.000 0.466 683 Q N -0.744 119.048 119.800 -0.013 0.000 2.547 683 Q HA 0.033 4.372 4.340 -0.001 0.000 0.217 683 Q C 0.526 176.529 176.000 0.004 0.000 0.978 683 Q CA 0.588 56.387 55.803 -0.007 0.000 0.962 683 Q CB -0.094 28.637 28.738 -0.012 0.000 0.990 683 Q HN 0.252 nan 8.270 nan 0.000 0.538 684 G N 0.455 109.262 108.800 0.012 0.000 4.331 684 G HA2 0.236 4.195 3.960 -0.001 0.000 0.299 684 G HA3 0.236 4.195 3.960 -0.001 0.000 0.299 684 G C -0.132 174.795 174.900 0.045 0.000 1.158 684 G CA -0.422 44.694 45.100 0.027 0.000 0.916 684 G HN 0.040 nan 8.290 nan 0.000 0.553 685 R N 0.059 120.584 120.500 0.041 0.000 2.758 685 R HA 0.425 4.764 4.340 -0.001 0.000 0.265 685 R C -1.021 175.317 176.300 0.063 0.000 1.016 685 R CA -0.788 55.345 56.100 0.054 0.000 1.040 685 R CB 1.520 31.843 30.300 0.039 0.000 1.152 685 R HN 0.039 nan 8.270 nan 0.000 0.503 686 D N 1.355 121.805 120.400 0.082 0.000 2.485 686 D HA 0.083 4.723 4.640 -0.001 0.000 0.256 686 D C 0.319 176.664 176.300 0.075 0.000 1.141 686 D CA -0.299 53.759 54.000 0.096 0.000 0.942 686 D CB 0.630 41.535 40.800 0.175 0.000 1.003 686 D HN 0.324 nan 8.370 nan 0.000 0.507 687 R N 1.784 122.312 120.500 0.048 0.000 2.159 687 R HA -0.128 4.211 4.340 -0.001 0.000 0.237 687 R C 2.016 178.345 176.300 0.047 0.000 1.131 687 R CA 0.668 56.792 56.100 0.041 0.000 0.982 687 R CB -1.208 29.106 30.300 0.023 0.000 0.868 687 R HN 0.527 nan 8.270 nan 0.000 0.453 688 L N -0.149 121.103 121.223 0.047 0.000 1.948 688 L HA -0.116 4.223 4.340 -0.001 0.000 0.212 688 L C 2.322 179.222 176.870 0.051 0.000 1.074 688 L CA 1.432 56.303 54.840 0.050 0.000 0.753 688 L CB -1.389 40.701 42.059 0.052 0.000 0.888 688 L HN 0.041 nan 8.230 nan 0.000 0.432 689 L N -0.430 120.806 121.223 0.020 0.000 2.131 689 L HA -0.082 4.257 4.340 -0.001 0.000 0.210 689 L C 2.274 179.229 176.870 0.141 0.000 1.092 689 L CA 1.752 56.496 54.840 -0.159 0.000 0.759 689 L CB -1.563 40.245 42.059 -0.418 0.000 0.903 689 L HN 0.430 nan 8.230 nan 0.000 0.435 690 E N -0.393 119.867 120.200 0.100 0.000 2.499 690 E HA -0.113 4.236 4.350 -0.001 0.000 0.207 690 E C 1.373 178.042 176.600 0.115 0.000 1.175 690 E CA 0.512 56.977 56.400 0.108 0.000 0.932 690 E CB -0.133 29.611 29.700 0.072 0.000 0.906 690 E HN 0.771 nan 8.360 nan 0.000 0.556 691 I N -1.082 119.585 120.570 0.161 0.000 3.669 691 I HA -0.098 4.071 4.170 -0.001 0.000 0.255 691 I C 2.160 178.373 176.117 0.160 0.000 1.144 691 I CA 0.108 61.484 61.300 0.127 0.000 1.447 691 I CB -0.430 37.627 38.000 0.095 0.000 1.622 691 I HN 0.231 nan 8.210 nan 0.000 0.435 692 H N 1.919 121.000 119.070 0.019 0.000 2.460 692 H HA -0.129 4.426 4.556 -0.001 0.000 0.297 692 H C 1.888 177.252 175.328 0.060 0.000 1.103 692 H CA 2.087 58.151 56.048 0.028 0.000 1.292 692 H CB -0.741 29.021 29.762 0.000 0.000 1.376 692 H HN 0.375 nan 8.280 nan 0.000 0.531 693 S N 1.240 116.868 115.700 -0.120 0.000 2.395 693 S HA -0.155 4.314 4.470 -0.001 0.000 0.225 693 S C 1.782 176.380 174.600 -0.003 0.000 1.027 693 S CA 0.560 58.638 58.200 -0.204 0.000 0.965 693 S CB -0.434 62.830 63.200 0.106 0.000 0.812 693 S HN 0.712 nan 8.310 nan 0.000 0.482 694 N N 2.080 120.811 118.700 0.052 0.000 2.449 694 N HA 0.155 4.894 4.740 -0.001 0.000 0.191 694 N C 1.192 176.736 175.510 0.056 0.000 1.161 694 N CA 1.040 54.132 53.050 0.069 0.000 0.863 694 N CB -0.128 38.389 38.487 0.049 0.000 0.980 694 N HN 0.592 nan 8.380 nan 0.000 0.458 695 G N 0.100 108.912 108.800 0.020 0.000 4.257 695 G HA2 0.039 3.999 3.960 -0.001 0.000 0.270 695 G HA3 0.039 3.999 3.960 -0.001 0.000 0.270 695 G C 0.354 175.258 174.900 0.008 0.000 1.717 695 G CA 0.339 45.441 45.100 0.003 0.000 1.170 695 G HN 1.384 nan 8.290 nan 0.000 0.642 696 G N -1.017 107.789 108.800 0.010 0.000 2.423 696 G HA2 0.355 4.314 3.960 -0.001 0.000 0.684 696 G HA3 0.355 4.314 3.960 -0.001 0.000 0.684 696 G C 0.368 175.267 174.900 -0.002 0.000 1.309 696 G CA 0.676 45.782 45.100 0.011 0.000 0.950 696 G HN 1.234 nan 8.290 nan 0.000 0.587 697 E N 0.142 120.343 120.200 0.001 0.000 2.095 697 E HA -0.329 4.021 4.350 -0.001 0.000 0.212 697 E C 2.354 178.945 176.600 -0.016 0.000 1.044 697 E CA 1.851 58.248 56.400 -0.004 0.000 0.857 697 E CB -0.091 29.610 29.700 0.001 0.000 0.764 697 E HN 0.581 nan 8.360 nan 0.000 0.462 698 K N 0.784 121.173 120.400 -0.019 0.000 2.015 698 K HA -0.254 4.065 4.320 -0.001 0.000 0.216 698 K C 2.254 178.813 176.600 -0.069 0.000 1.052 698 K CA 1.701 57.964 56.287 -0.039 0.000 0.937 698 K CB -0.274 32.203 32.500 -0.038 0.000 0.719 698 K HN 0.142 nan 8.250 nan 0.000 0.446 699 A N 1.156 123.937 122.820 -0.065 0.000 1.892 699 A HA -0.308 4.012 4.320 -0.001 0.000 0.218 699 A C 2.135 179.677 177.584 -0.071 0.000 1.188 699 A CA 2.292 54.279 52.037 -0.084 0.000 0.631 699 A CB -1.031 17.936 19.000 -0.054 0.000 0.822 699 A HN 0.695 nan 8.150 nan 0.000 0.447 700 Q N 0.425 120.200 119.800 -0.041 0.000 2.077 700 Q HA -0.106 4.233 4.340 -0.001 0.000 0.206 700 Q C 1.858 177.837 176.000 -0.036 0.000 0.989 700 Q CA 2.901 58.685 55.803 -0.031 0.000 0.853 700 Q CB -1.069 27.659 28.738 -0.017 0.000 0.907 700 Q HN 0.595 nan 8.270 nan 0.000 0.418 701 A N 1.037 123.835 122.820 -0.036 0.000 1.985 701 A HA -0.232 4.088 4.320 -0.001 0.000 0.223 701 A C 2.096 179.662 177.584 -0.029 0.000 1.189 701 A CA 1.947 53.968 52.037 -0.026 0.000 0.658 701 A CB -0.896 18.087 19.000 -0.028 0.000 0.820 701 A HN 0.485 nan 8.150 nan 0.000 0.464 702 L N -0.998 120.182 121.223 -0.072 0.000 1.976 702 L HA -0.199 4.140 4.340 -0.001 0.000 0.209 702 L C 3.064 179.923 176.870 -0.020 0.000 1.071 702 L CA 2.157 56.948 54.840 -0.082 0.000 0.746 702 L CB -1.919 40.036 42.059 -0.174 0.000 0.890 702 L HN 0.481 nan 8.230 nan 0.000 0.432 703 A N -0.770 122.031 122.820 -0.032 0.000 2.148 703 A HA -0.201 4.119 4.320 -0.001 0.000 0.222 703 A C 2.126 179.709 177.584 -0.003 0.000 1.161 703 A CA 1.435 53.458 52.037 -0.025 0.000 0.662 703 A CB -0.261 18.714 19.000 -0.042 0.000 0.799 703 A HN 0.472 nan 8.150 nan 0.000 0.466 704 E N -0.055 120.149 120.200 0.008 0.000 2.034 704 E HA -0.088 4.261 4.350 -0.001 0.000 0.192 704 E C 2.571 179.202 176.600 0.051 0.000 0.963 704 E CA 1.330 57.743 56.400 0.022 0.000 0.831 704 E CB -1.043 28.666 29.700 0.016 0.000 0.801 704 E HN 0.696 nan 8.360 nan 0.000 0.463 705 S N 1.360 117.100 115.700 0.066 0.000 2.392 705 S HA -0.201 4.268 4.470 -0.001 0.000 0.232 705 S C 2.097 176.772 174.600 0.124 0.000 1.041 705 S CA 1.320 59.581 58.200 0.102 0.000 1.026 705 S CB -0.477 62.814 63.200 0.151 0.000 0.845 705 S HN 0.056 nan 8.310 nan 0.000 0.465 706 I N 2.234 122.881 120.570 0.128 0.000 2.226 706 I HA -0.036 4.133 4.170 -0.001 0.000 0.245 706 I C 2.501 178.715 176.117 0.161 0.000 1.100 706 I CA 1.232 62.628 61.300 0.160 0.000 1.374 706 I CB -0.745 37.340 38.000 0.142 0.000 1.057 706 I HN 0.362 nan 8.210 nan 0.000 0.413 707 E N -0.378 119.889 120.200 0.112 0.000 2.482 707 E HA -0.205 4.144 4.350 -0.001 0.000 0.200 707 E C 1.529 178.191 176.600 0.103 0.000 1.147 707 E CA 0.234 56.700 56.400 0.109 0.000 0.912 707 E CB 0.182 29.912 29.700 0.049 0.000 0.938 707 E HN 0.396 nan 8.360 nan 0.000 0.519 708 E N -0.621 119.641 120.200 0.103 0.000 2.564 708 E HA -0.009 4.341 4.350 -0.001 0.000 0.203 708 E C 1.018 177.669 176.600 0.084 0.000 0.867 708 E CA 0.279 56.727 56.400 0.081 0.000 1.250 708 E CB -0.046 29.694 29.700 0.066 0.000 1.215 708 E HN 0.045 nan 8.360 nan 0.000 0.566 709 Q N 1.072 120.935 119.800 0.105 0.000 2.615 709 Q HA -0.056 4.283 4.340 -0.001 0.000 0.220 709 Q C -0.362 175.700 176.000 0.103 0.000 0.981 709 Q CA 1.190 57.060 55.803 0.112 0.000 0.939 709 Q CB -0.051 28.767 28.738 0.134 0.000 0.982 709 Q HN 0.383 nan 8.270 nan 0.000 0.550 710 D N -1.171 119.276 120.400 0.078 0.000 2.670 710 D HA 0.046 4.685 4.640 -0.001 0.000 0.255 710 D C -0.354 175.936 176.300 -0.017 0.000 1.286 710 D CA -0.114 53.892 54.000 0.011 0.000 0.830 710 D CB 0.305 41.144 40.800 0.064 0.000 1.065 710 D HN -0.057 nan 8.370 nan 0.000 0.486 711 D N 0.794 121.191 120.400 -0.005 0.000 2.865 711 D HA 0.045 4.684 4.640 -0.001 0.000 0.347 711 D C -0.673 175.617 176.300 -0.017 0.000 1.498 711 D CA -0.289 53.703 54.000 -0.013 0.000 0.787 711 D CB 0.686 41.495 40.800 0.015 0.000 1.190 711 D HN 0.167 nan 8.370 nan 0.000 0.445 712 D N 1.962 122.336 120.400 -0.043 0.000 2.398 712 D HA -0.017 4.622 4.640 -0.001 0.000 0.250 712 D C 1.843 178.113 176.300 -0.049 0.000 1.287 712 D CA 0.317 54.301 54.000 -0.027 0.000 0.992 712 D CB 1.402 42.195 40.800 -0.011 0.000 1.071 712 D HN 0.210 nan 8.370 nan 0.000 0.514 713 T N 1.158 115.703 114.554 -0.016 0.000 2.665 713 T HA -0.312 4.038 4.350 -0.001 0.000 0.268 713 T C 1.482 176.180 174.700 -0.003 0.000 1.035 713 T CA 1.564 63.659 62.100 -0.009 0.000 1.151 713 T CB -0.474 68.401 68.868 0.013 0.000 0.862 713 T HN 0.453 nan 8.240 nan 0.000 0.438 714 N N 1.802 120.509 118.700 0.011 0.000 2.348 714 N HA -0.043 4.696 4.740 -0.001 0.000 0.185 714 N C 1.990 177.486 175.510 -0.023 0.000 1.019 714 N CA 0.938 54.004 53.050 0.027 0.000 0.880 714 N CB -0.574 37.948 38.487 0.058 0.000 0.965 714 N HN 0.434 nan 8.380 nan 0.000 0.437 715 L N 0.430 121.597 121.223 -0.093 0.000 1.948 715 L HA -0.191 4.148 4.340 -0.001 0.000 0.212 715 L C 1.833 178.692 176.870 -0.019 0.000 1.074 715 L CA 1.434 56.187 54.840 -0.145 0.000 0.753 715 L CB -0.359 41.522 42.059 -0.296 0.000 0.888 715 L HN 0.074 nan 8.230 nan 0.000 0.432 716 I N 0.973 121.517 120.570 -0.042 0.000 2.093 716 I HA -0.404 3.766 4.170 -0.001 0.000 0.239 716 I C 2.827 178.972 176.117 0.047 0.000 1.026 716 I CA 2.004 63.303 61.300 -0.001 0.000 1.295 716 I CB -1.366 36.620 38.000 -0.023 0.000 1.007 716 I HN 0.437 nan 8.210 nan 0.000 0.401 717 A N 0.255 123.102 122.820 0.045 0.000 1.852 717 A HA -0.316 4.003 4.320 -0.001 0.000 0.217 717 A C 2.336 179.961 177.584 0.069 0.000 1.215 717 A CA 2.375 54.446 52.037 0.056 0.000 0.641 717 A CB -1.471 17.570 19.000 0.068 0.000 0.838 717 A HN 0.478 nan 8.150 nan 0.000 0.450 718 F N 1.175 121.094 119.950 -0.052 0.000 2.027 718 F HA -0.021 4.505 4.527 -0.001 0.000 0.297 718 F C 1.732 177.459 175.800 -0.121 0.000 1.129 718 F CA 0.897 58.851 58.000 -0.076 0.000 1.195 718 F CB -0.955 37.955 39.000 -0.151 0.000 0.960 718 F HN 0.468 nan 8.300 nan 0.000 0.485 722 L N 1.857 122.686 121.223 -0.657 0.000 2.017 722 L HA -0.224 4.115 4.340 -0.001 0.000 0.234 722 L C 1.908 178.506 176.870 -0.452 0.000 1.097 722 L CA 2.482 56.879 54.840 -0.737 0.000 0.816 722 L CB -1.230 40.131 42.059 -1.164 0.000 0.914 722 L HN 0.130 nan 8.230 nan 0.000 0.444 723 F N 0.852 120.728 119.950 -0.123 0.000 2.063 723 F HA -0.275 4.251 4.527 -0.001 0.000 0.298 723 F C 2.531 178.308 175.800 -0.038 0.000 1.109 723 F CA 1.950 59.916 58.000 -0.056 0.000 1.212 723 F CB -1.260 37.713 39.000 -0.045 0.000 0.973 723 F HN 0.300 nan 8.300 nan 0.000 0.480 724 D N 0.171 120.652 120.400 0.136 0.000 2.144 724 D HA -0.166 4.473 4.640 -0.001 0.000 0.199 724 D C 2.026 178.342 176.300 0.027 0.000 0.984 724 D CA 1.008 55.052 54.000 0.073 0.000 0.834 724 D CB -0.183 40.642 40.800 0.040 0.000 0.955 724 D HN 0.089 nan 8.370 nan 0.000 0.465 725 I N 0.597 121.147 120.570 -0.034 0.000 2.264 725 I HA -0.211 3.958 4.170 -0.001 0.000 0.248 725 I C 1.902 178.022 176.117 0.006 0.000 1.111 725 I CA 1.028 62.305 61.300 -0.038 0.000 1.382 725 I CB -0.323 37.618 38.000 -0.098 0.000 1.060 725 I HN 0.219 nan 8.210 nan 0.000 0.418 726 I N -0.028 120.557 120.570 0.025 0.000 3.291 726 I HA 0.105 4.274 4.170 -0.001 0.000 0.279 726 I C 1.221 177.396 176.117 0.097 0.000 1.294 726 I CA 0.551 61.894 61.300 0.072 0.000 1.428 726 I CB -0.860 37.201 38.000 0.101 0.000 1.070 726 I HN 0.376 nan 8.210 nan 0.000 0.478 727 G N 2.592 111.445 108.800 0.088 0.000 2.452 727 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.275 727 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.275 727 G C -0.239 174.720 174.900 0.100 0.000 1.131 727 G CA -0.364 44.794 45.100 0.096 0.000 1.031 727 G HN 0.325 nan 8.290 nan 0.000 0.511 728 I N 0.581 121.214 120.570 0.104 0.000 2.860 728 I HA 0.146 4.315 4.170 -0.001 0.000 0.331 728 I C 0.748 176.903 176.117 0.063 0.000 1.447 728 I CA -1.036 60.318 61.300 0.091 0.000 0.847 728 I CB 0.011 38.084 38.000 0.120 0.000 1.938 728 I HN 0.547 nan 8.210 nan 0.000 0.564 729 N N 1.211 119.942 118.700 0.052 0.000 1.576 729 N HA -0.196 4.543 4.740 -0.001 0.000 0.365 729 N C -0.495 175.018 175.510 0.006 0.000 1.235 729 N CA 0.086 53.155 53.050 0.031 0.000 0.770 729 N CB 0.327 38.826 38.487 0.021 0.000 0.985 729 N HN 0.319 nan 8.380 nan 0.000 0.528 730 Q N 1.086 120.886 119.800 0.000 0.000 2.221 730 Q HA 0.552 4.891 4.340 -0.001 0.000 0.242 730 Q C -0.647 175.333 176.000 -0.033 0.000 0.940 730 Q CA -0.353 55.428 55.803 -0.038 0.000 0.896 730 Q CB 1.643 30.358 28.738 -0.039 0.000 1.226 730 Q HN 0.782 nan 8.270 nan 0.000 0.463 731 D N -0.919 119.452 120.400 -0.048 0.000 2.692 731 D HA 0.366 5.005 4.640 -0.001 0.000 0.290 731 D C -1.496 174.775 176.300 -0.048 0.000 1.281 731 D CA -0.408 53.569 54.000 -0.039 0.000 0.804 731 D CB 0.983 41.764 40.800 -0.032 0.000 1.331 731 D HN 0.473 nan 8.370 nan 0.000 0.432 732 D N 0.072 120.448 120.400 -0.040 0.000 2.872 732 D HA -0.121 4.519 4.640 -0.001 0.000 0.248 732 D C -0.526 175.747 176.300 -0.044 0.000 1.104 732 D CA 0.222 54.197 54.000 -0.041 0.000 0.784 732 D CB -0.205 40.567 40.800 -0.045 0.000 1.036 732 D HN 0.231 nan 8.370 nan 0.000 0.426 733 R N 0.682 121.158 120.500 -0.038 0.000 3.907 733 R HA 0.213 4.553 4.340 -0.001 0.000 0.241 733 R C 1.671 177.949 176.300 -0.037 0.000 1.784 733 R CA 0.681 56.757 56.100 -0.039 0.000 1.509 733 R CB -0.739 29.542 30.300 -0.033 0.000 1.275 733 R HN 0.436 nan 8.270 nan 0.000 0.642 734 G N -0.282 108.495 108.800 -0.037 0.000 2.527 734 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.219 734 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.219 734 G C 0.425 175.303 174.900 -0.037 0.000 1.117 734 G CA 0.709 45.789 45.100 -0.034 0.000 0.759 734 G HN 0.543 nan 8.290 nan 0.000 0.556 735 D N -2.129 118.245 120.400 -0.043 0.000 2.871 735 D HA -0.051 4.588 4.640 -0.001 0.000 0.330 735 D C -0.854 175.414 176.300 -0.053 0.000 1.364 735 D CA -0.745 53.227 54.000 -0.047 0.000 0.759 735 D CB -0.518 40.250 40.800 -0.053 0.000 1.325 735 D HN -0.122 nan 8.370 nan 0.000 0.452 739 V N 3.875 123.726 119.914 -0.105 0.000 2.715 739 V HA 0.639 4.758 4.120 -0.001 0.000 0.310 739 V C -0.774 175.249 176.094 -0.118 0.000 1.054 739 V CA -0.680 61.557 62.300 -0.104 0.000 0.928 739 V CB 2.035 33.814 31.823 -0.072 0.000 1.007 739 V HN 0.434 nan 8.190 nan 0.000 0.437 740 L N 4.086 125.235 121.223 -0.124 0.000 2.376 740 L HA 0.753 5.092 4.340 -0.001 0.000 0.275 740 L C -0.543 176.290 176.870 -0.062 0.000 0.987 740 L CA -0.268 54.497 54.840 -0.125 0.000 0.828 740 L CB 2.298 44.232 42.059 -0.208 0.000 1.249 740 L HN 0.835 nan 8.230 nan 0.000 0.409 741 T N 0.591 115.124 114.554 -0.034 0.000 3.032 741 T HA 0.446 4.795 4.350 -0.001 0.000 0.312 741 T C -2.893 171.816 174.700 0.015 0.000 1.078 741 T CA -2.199 59.898 62.100 -0.004 0.000 1.028 741 T CB 1.883 70.745 68.868 -0.011 0.000 1.091 741 T HN 0.089 nan 8.240 nan 0.000 0.457 742 P HA 0.098 nan 4.420 nan 0.000 0.261 742 P C 0.092 177.412 177.300 0.032 0.000 1.173 742 P CA 0.295 63.426 63.100 0.052 0.000 0.760 742 P CB 0.414 32.150 31.700 0.059 0.000 0.783 743 S N 2.692 118.418 115.700 0.044 0.000 2.617 743 S HA 0.168 4.637 4.470 -0.001 0.000 0.269 743 S C 0.036 174.642 174.600 0.010 0.000 1.292 743 S CA -0.638 57.581 58.200 0.031 0.000 1.010 743 S CB 0.313 63.547 63.200 0.056 0.000 0.944 743 S HN 0.355 nan 8.310 nan 0.000 0.536 744 D N 1.959 122.335 120.400 -0.040 0.000 2.423 744 D HA 0.236 4.875 4.640 -0.001 0.000 0.238 744 D C 0.213 176.443 176.300 -0.116 0.000 1.142 744 D CA 1.270 55.164 54.000 -0.176 0.000 0.884 744 D CB 0.054 40.668 40.800 -0.311 0.000 1.199 744 D HN 0.653 nan 8.370 nan 0.000 0.438 748 V N 2.301 122.266 119.914 0.086 0.000 2.567 748 V HA 0.222 4.341 4.120 -0.001 0.000 0.289 748 V C -0.922 175.167 176.094 -0.008 0.000 1.049 748 V CA -0.649 61.666 62.300 0.024 0.000 0.969 748 V CB 1.301 33.152 31.823 0.047 0.000 0.995 748 V HN 0.276 nan 8.190 nan 0.000 0.471 749 P HA -0.072 nan 4.420 nan 0.000 0.211 749 P C -0.509 176.760 177.300 -0.052 0.000 1.181 749 P CA 1.223 64.281 63.100 -0.069 0.000 0.929 749 P CB 0.170 31.805 31.700 -0.107 0.000 0.789 750 D N -4.172 116.161 120.400 -0.112 0.000 2.570 750 D HA 0.638 5.277 4.640 -0.001 0.000 0.244 750 D C -0.793 175.425 176.300 -0.136 0.000 1.178 750 D CA -0.429 53.535 54.000 -0.060 0.000 0.881 750 D CB 1.242 42.006 40.800 -0.060 0.000 1.453 750 D HN -0.133 nan 8.370 nan 0.000 0.447 751 F N -0.958 119.002 119.950 0.017 0.000 3.090 751 F HA 0.368 4.895 4.527 -0.001 0.000 0.324 751 F C -1.655 174.129 175.800 -0.026 0.000 1.189 751 F CA -1.570 56.429 58.000 -0.002 0.000 0.907 751 F CB 0.285 39.303 39.000 0.030 0.000 1.445 751 F HN 0.219 nan 8.300 nan 0.000 0.500 752 P HA 0.086 nan 4.420 nan 0.000 0.216 752 P C -0.134 177.344 177.300 0.297 0.000 1.150 752 P CA 1.142 64.221 63.100 -0.035 0.000 0.837 752 P CB 0.019 31.141 31.700 -0.963 0.000 0.786 753 G N -0.998 108.042 108.800 0.399 0.000 2.370 753 G HA2 0.471 4.430 3.960 -0.001 0.000 0.317 753 G HA3 0.471 4.430 3.960 -0.001 0.000 0.317 753 G C -0.201 174.816 174.900 0.194 0.000 1.162 753 G CA -0.327 44.978 45.100 0.342 0.000 0.922 753 G HN -0.051 nan 8.290 nan 0.000 0.454 754 L N 1.652 122.959 121.223 0.139 0.000 2.543 754 L HA 0.472 4.811 4.340 -0.001 0.000 0.181 754 L C 1.630 178.535 176.870 0.058 0.000 1.437 754 L CA 0.155 55.048 54.840 0.089 0.000 3.059 754 L CB -0.140 41.960 42.059 0.069 0.000 2.916 754 L HN 0.495 nan 8.230 nan 0.000 1.037 755 S N -0.576 115.147 115.700 0.038 0.000 2.525 755 S HA 0.419 4.889 4.470 -0.001 0.000 0.278 755 S C -0.790 173.815 174.600 0.009 0.000 1.234 755 S CA -0.281 57.929 58.200 0.017 0.000 1.058 755 S CB 0.052 63.258 63.200 0.010 0.000 0.983 755 S HN 0.431 nan 8.310 nan 0.000 0.495 756 E N 2.931 123.126 120.200 -0.008 0.000 7.387 756 E HA -0.160 4.189 4.350 -0.001 0.000 0.318 756 E C -1.618 174.962 176.600 -0.033 0.000 0.824 756 E CA 0.826 57.212 56.400 -0.024 0.000 1.347 756 E CB -1.202 28.487 29.700 -0.019 0.000 0.927 756 E HN 0.677 nan 8.360 nan 0.000 0.269 757 D N 3.891 124.252 120.400 -0.064 0.000 3.256 757 D HA 0.206 4.845 4.640 -0.001 0.000 0.332 757 D C 0.239 176.457 176.300 -0.137 0.000 1.327 757 D CA 0.035 53.972 54.000 -0.104 0.000 0.735 757 D CB 0.366 41.096 40.800 -0.117 0.000 1.280 757 D HN 0.609 nan 8.370 nan 0.000 0.572 758 G N 1.465 110.200 108.800 -0.109 0.000 2.148 758 G HA2 0.073 4.032 3.960 -0.001 0.000 0.275 758 G HA3 0.073 4.032 3.960 -0.001 0.000 0.275 758 G C 0.300 175.111 174.900 -0.148 0.000 0.979 758 G CA 0.374 45.407 45.100 -0.112 0.000 1.154 758 G HN 0.245 nan 8.290 nan 0.000 0.377 759 I N 1.721 122.187 120.570 -0.173 0.000 3.204 759 I HA 0.858 5.028 4.170 -0.001 0.000 0.313 759 I C 0.471 176.487 176.117 -0.168 0.000 1.082 759 I CA -0.540 60.636 61.300 -0.206 0.000 1.033 759 I CB 2.462 40.302 38.000 -0.267 0.000 1.304 759 I HN 0.476 nan 8.210 nan 0.000 0.536 760 T N 3.817 118.267 114.554 -0.173 0.000 2.840 760 T HA 0.577 4.926 4.350 -0.001 0.000 0.317 760 T C -1.505 173.102 174.700 -0.155 0.000 1.401 760 T CA -0.510 61.504 62.100 -0.143 0.000 1.028 760 T CB 0.613 69.406 68.868 -0.125 0.000 1.317 760 T HN 0.357 nan 8.240 nan 0.000 0.495 761 I N 3.237 123.725 120.570 -0.137 0.000 2.796 761 I HA 0.474 4.643 4.170 -0.001 0.000 0.279 761 I C -0.449 175.584 176.117 -0.140 0.000 1.289 761 I CA -0.441 60.766 61.300 -0.156 0.000 1.021 761 I CB 1.436 39.352 38.000 -0.140 0.000 1.414 761 I HN 0.738 nan 8.210 nan 0.000 0.562 762 T N 1.757 116.223 114.554 -0.147 0.000 3.841 762 T HA 0.215 4.564 4.350 -0.001 0.000 0.428 762 T C 0.129 174.805 174.700 -0.040 0.000 1.447 762 T CA -0.409 61.636 62.100 -0.093 0.000 1.135 762 T CB 0.483 69.322 68.868 -0.048 0.000 1.389 762 T HN 0.141 nan 8.240 nan 0.000 0.461 763 F N 3.089 123.007 119.950 -0.054 0.000 1.990 763 F HA 0.023 4.549 4.527 -0.001 0.000 0.297 763 F C 2.291 178.063 175.800 -0.046 0.000 1.199 763 F CA 2.395 60.368 58.000 -0.045 0.000 1.184 763 F CB -0.725 38.258 39.000 -0.029 0.000 0.956 763 F HN 0.864 nan 8.300 nan 0.000 0.503 764 D N -0.601 119.928 120.400 0.216 0.000 2.230 764 D HA -0.279 4.360 4.640 -0.001 0.000 0.189 764 D C 2.291 178.610 176.300 0.032 0.000 1.006 764 D CA 1.986 56.035 54.000 0.082 0.000 0.853 764 D CB -0.143 40.687 40.800 0.050 0.000 0.959 764 D HN -0.066 nan 8.370 nan 0.000 0.449 765 R N 0.167 120.670 120.500 0.006 0.000 2.285 765 R HA -0.047 4.292 4.340 -0.001 0.000 0.213 765 R C 1.721 177.991 176.300 -0.050 0.000 1.068 765 R CA 0.905 56.978 56.100 -0.044 0.000 1.004 765 R CB -0.149 30.118 30.300 -0.054 0.000 0.873 765 R HN 0.227 nan 8.270 nan 0.000 0.467 766 E N -0.288 119.901 120.200 -0.019 0.000 2.057 766 E HA -0.044 4.305 4.350 -0.001 0.000 0.190 766 E C 1.695 178.282 176.600 -0.023 0.000 0.969 766 E CA 1.311 57.689 56.400 -0.036 0.000 0.812 766 E CB -0.136 29.538 29.700 -0.043 0.000 0.777 766 E HN 0.124 nan 8.360 nan 0.000 0.455 767 V N 2.207 122.134 119.914 0.021 0.000 2.636 767 V HA -0.283 3.837 4.120 -0.001 0.000 0.258 767 V C 2.621 178.704 176.094 -0.017 0.000 1.092 767 V CA 1.797 64.104 62.300 0.012 0.000 1.110 767 V CB -1.332 30.514 31.823 0.037 0.000 0.685 767 V HN 0.333 nan 8.190 nan 0.000 0.481 768 A N 0.349 123.154 122.820 -0.024 0.000 2.015 768 A HA 0.173 4.492 4.320 -0.001 0.000 0.219 768 A C 1.022 178.594 177.584 -0.020 0.000 1.163 768 A CA 1.393 53.411 52.037 -0.031 0.000 0.646 768 A CB -0.364 18.535 19.000 -0.168 0.000 0.806 768 A HN 0.715 nan 8.150 nan 0.000 0.448 769 L N -5.338 115.864 121.223 -0.036 0.000 2.436 769 L HA 0.838 5.177 4.340 -0.001 0.000 0.268 769 L C -0.319 176.526 176.870 -0.041 0.000 0.974 769 L CA -0.728 54.101 54.840 -0.019 0.000 0.826 769 L CB 1.635 43.681 42.059 -0.021 0.000 1.291 769 L HN 0.008 nan 8.230 nan 0.000 0.406 770 A N 3.537 126.336 122.820 -0.035 0.000 3.015 770 A HA 0.701 5.020 4.320 -0.001 0.000 0.293 770 A C 0.245 177.793 177.584 -0.060 0.000 1.572 770 A CA -0.391 51.611 52.037 -0.058 0.000 1.274 770 A CB -0.537 18.428 19.000 -0.057 0.000 1.156 770 A HN 0.748 nan 8.150 nan 0.000 0.562 771 R N 1.579 122.031 120.500 -0.080 0.000 2.818 771 R HA 0.242 4.581 4.340 -0.001 0.000 0.258 771 R C -1.035 175.181 176.300 -0.139 0.000 1.797 771 R CA -0.646 55.399 56.100 -0.092 0.000 1.532 771 R CB 0.558 30.817 30.300 -0.069 0.000 1.413 771 R HN 0.666 nan 8.270 nan 0.000 0.622 772 E N 2.172 122.267 120.200 -0.176 0.000 4.743 772 E HA -0.255 4.095 4.350 -0.001 0.000 0.393 772 E C -1.145 175.304 176.600 -0.250 0.000 0.776 772 E CA 0.840 57.084 56.400 -0.260 0.000 1.154 772 E CB -0.105 29.384 29.700 -0.351 0.000 0.655 772 E HN 0.486 nan 8.360 nan 0.000 0.358 773 D N 2.485 122.737 120.400 -0.247 0.000 2.185 773 D HA 0.629 5.268 4.640 -0.001 0.000 0.247 773 D C -0.685 175.469 176.300 -0.244 0.000 1.027 773 D CA 0.142 54.010 54.000 -0.220 0.000 0.861 773 D CB 1.189 41.879 40.800 -0.184 0.000 1.202 773 D HN 0.513 nan 8.370 nan 0.000 0.453 774 A N 2.839 125.525 122.820 -0.224 0.000 2.304 774 A HA 0.575 4.894 4.320 -0.001 0.000 0.301 774 A C -0.121 177.345 177.584 -0.196 0.000 1.132 774 A CA -0.295 51.622 52.037 -0.199 0.000 0.819 774 A CB 1.391 20.286 19.000 -0.175 0.000 1.094 774 A HN 0.555 nan 8.150 nan 0.000 0.492 775 Q N 0.423 120.129 119.800 -0.157 0.000 2.874 775 Q HA 0.209 4.548 4.340 -0.001 0.000 0.303 775 Q C -1.279 174.673 176.000 -0.080 0.000 0.876 775 Q CA -0.584 55.099 55.803 -0.200 0.000 0.765 775 Q CB 0.385 29.030 28.738 -0.155 0.000 1.478 775 Q HN 0.546 nan 8.270 nan 0.000 0.434 776 F N 1.607 121.535 119.950 -0.035 0.000 2.753 776 F HA 0.015 4.541 4.527 -0.001 0.000 0.299 776 F C 1.597 177.411 175.800 0.024 0.000 1.265 776 F CA 1.050 59.035 58.000 -0.024 0.000 1.453 776 F CB -0.483 38.492 39.000 -0.042 0.000 1.118 776 F HN 0.431 nan 8.300 nan 0.000 0.579 777 I N -6.481 114.197 120.570 0.180 0.000 3.557 777 I HA 0.080 4.249 4.170 -0.001 0.000 0.259 777 I C 1.776 177.887 176.117 -0.009 0.000 1.108 777 I CA 0.178 61.547 61.300 0.114 0.000 1.536 777 I CB -0.620 37.495 38.000 0.192 0.000 1.727 777 I HN -0.194 nan 8.210 nan 0.000 0.408 778 T N 1.195 115.765 114.554 0.027 0.000 1.657 778 T HA -0.351 3.998 4.350 -0.001 0.000 0.101 778 T C 0.808 175.722 174.700 0.357 0.000 1.940 778 T CA 2.873 64.997 62.100 0.041 0.000 0.846 778 T CB -1.285 67.507 68.868 -0.126 0.000 0.814 778 T HN 0.675 nan 8.240 nan 0.000 0.385 779 W N 1.220 122.460 121.300 -0.101 0.000 3.316 779 W HA 0.093 4.752 4.660 -0.001 0.000 0.327 779 W C 2.023 178.494 176.519 -0.080 0.000 1.232 779 W CA -0.742 56.544 57.345 -0.097 0.000 1.805 779 W CB 0.172 29.579 29.460 -0.089 0.000 1.090 779 W HN 0.442 nan 8.180 nan 0.000 0.654 780 E N 0.352 120.662 120.200 0.183 0.000 2.055 780 E HA -0.277 4.073 4.350 -0.001 0.000 0.209 780 E C 1.377 178.088 176.600 0.185 0.000 1.036 780 E CA 1.817 58.316 56.400 0.165 0.000 0.849 780 E CB -1.026 28.776 29.700 0.171 0.000 0.767 780 E HN 0.525 nan 8.360 nan 0.000 0.461 781 H N -0.200 118.941 119.070 0.120 0.000 2.278 781 H HA -0.192 4.363 4.556 -0.001 0.000 0.287 781 H C -0.562 174.805 175.328 0.065 0.000 1.107 781 H CA 1.857 57.962 56.048 0.095 0.000 1.192 781 H CB -1.393 28.433 29.762 0.107 0.000 1.346 781 H HN 0.264 nan 8.280 nan 0.000 0.478 782 P HA -0.146 nan 4.420 nan 0.000 0.215 782 P C 1.511 178.727 177.300 -0.141 0.000 1.157 782 P CA 1.242 64.323 63.100 -0.031 0.000 0.863 782 P CB -0.114 31.345 31.700 -0.402 0.000 0.787 783 L N -1.388 119.747 121.223 -0.148 0.000 1.990 783 L HA -0.208 4.131 4.340 -0.001 0.000 0.213 783 L C 2.437 179.337 176.870 0.050 0.000 1.072 783 L CA 1.667 56.477 54.840 -0.051 0.000 0.755 783 L CB -1.449 40.658 42.059 0.080 0.000 0.889 783 L HN -0.079 nan 8.230 nan 0.000 0.432 784 I N -0.082 120.541 120.570 0.088 0.000 2.052 784 I HA -0.352 3.817 4.170 -0.001 0.000 0.235 784 I C 2.841 179.024 176.117 0.110 0.000 1.046 784 I CA 1.674 63.029 61.300 0.092 0.000 1.308 784 I CB -0.649 37.400 38.000 0.082 0.000 1.031 784 I HN 0.274 nan 8.210 nan 0.000 0.395 785 R N 1.361 121.944 120.500 0.139 0.000 2.265 785 R HA -0.280 4.059 4.340 -0.001 0.000 0.268 785 R C 1.681 178.085 176.300 0.174 0.000 1.178 785 R CA 2.128 58.331 56.100 0.172 0.000 1.005 785 R CB -0.558 29.883 30.300 0.235 0.000 0.891 785 R HN 0.527 nan 8.270 nan 0.000 0.472 786 N N -0.390 118.414 118.700 0.174 0.000 2.075 786 N HA -0.101 4.638 4.740 -0.001 0.000 0.182 786 N C 1.780 177.361 175.510 0.118 0.000 1.092 786 N CA 1.120 54.270 53.050 0.167 0.000 0.957 786 N CB -1.259 37.326 38.487 0.164 0.000 1.071 786 N HN 0.318 nan 8.380 nan 0.000 0.456 787 G N 2.059 110.920 108.800 0.102 0.000 2.869 787 G HA2 -0.344 3.616 3.960 -0.001 0.000 0.236 787 G HA3 -0.344 3.616 3.960 -0.001 0.000 0.236 787 G C 1.664 176.609 174.900 0.073 0.000 1.134 787 G CA 2.485 47.638 45.100 0.089 0.000 0.748 787 G HN 0.434 nan 8.290 nan 0.000 0.644 788 L N -0.910 120.360 121.223 0.078 0.000 1.937 788 L HA 0.058 4.397 4.340 -0.001 0.000 0.213 788 L C 2.364 179.259 176.870 0.042 0.000 1.077 788 L CA 2.137 57.014 54.840 0.061 0.000 0.758 788 L CB -1.112 40.993 42.059 0.076 0.000 0.888 788 L HN 0.018 nan 8.230 nan 0.000 0.433 789 D N 0.554 121.003 120.400 0.081 0.000 2.265 789 D HA -0.113 4.526 4.640 -0.001 0.000 0.208 789 D C 2.388 178.746 176.300 0.097 0.000 0.977 789 D CA 1.366 55.427 54.000 0.102 0.000 0.871 789 D CB -0.075 40.815 40.800 0.149 0.000 0.925 789 D HN 0.410 nan 8.370 nan 0.000 0.485 790 L N 0.064 121.335 121.223 0.080 0.000 2.395 790 L HA -0.045 4.294 4.340 -0.001 0.000 0.218 790 L C 1.445 178.293 176.870 -0.036 0.000 1.130 790 L CA 0.026 54.914 54.840 0.080 0.000 0.826 790 L CB -0.109 42.004 42.059 0.090 0.000 0.941 790 L HN -0.091 nan 8.230 nan 0.000 0.451 791 I N -1.545 118.958 120.570 -0.111 0.000 3.708 791 I HA -0.404 3.765 4.170 -0.001 0.000 0.169 791 I C 1.600 177.647 176.117 -0.116 0.000 0.428 791 I CA 1.541 62.730 61.300 -0.186 0.000 1.234 791 I CB -0.831 36.875 38.000 -0.490 0.000 1.065 791 I HN 0.198 nan 8.210 nan 0.000 0.251 792 L N 0.558 121.748 121.223 -0.056 0.000 2.513 792 L HA 0.262 4.601 4.340 -0.001 0.000 0.222 792 L C 1.313 178.193 176.870 0.017 0.000 1.096 792 L CA 0.909 55.740 54.840 -0.016 0.000 0.857 792 L CB -0.002 42.076 42.059 0.031 0.000 1.026 792 L HN 0.328 nan 8.230 nan 0.000 0.469 793 S N 0.440 116.160 115.700 0.033 0.000 2.670 793 S HA 0.447 4.916 4.470 -0.001 0.000 0.328 793 S C 1.158 175.805 174.600 0.078 0.000 1.179 793 S CA -0.018 58.216 58.200 0.058 0.000 1.194 793 S CB -0.573 62.666 63.200 0.066 0.000 1.359 793 S HN 0.655 nan 8.310 nan 0.000 0.555 794 G N 2.617 111.475 108.800 0.098 0.000 2.160 794 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.244 794 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.244 794 G C 0.308 175.297 174.900 0.149 0.000 1.022 794 G CA 0.308 45.524 45.100 0.193 0.000 0.741 794 G HN 0.701 nan 8.290 nan 0.000 0.508 795 D N 0.339 120.742 120.400 0.006 0.000 2.083 795 D HA 0.057 4.696 4.640 -0.001 0.000 0.199 795 D C 1.666 177.784 176.300 -0.304 0.000 0.980 795 D CA 2.295 56.225 54.000 -0.116 0.000 0.851 795 D CB 0.053 40.797 40.800 -0.094 0.000 0.997 795 D HN 0.786 nan 8.370 nan 0.000 0.449 796 T N -1.393 113.018 114.554 -0.238 0.000 2.864 796 T HA 0.732 5.081 4.350 -0.001 0.000 0.299 796 T C 0.096 174.692 174.700 -0.173 0.000 1.011 796 T CA -0.621 61.296 62.100 -0.306 0.000 0.975 796 T CB 1.383 70.132 68.868 -0.198 0.000 0.962 796 T HN 0.166 nan 8.240 nan 0.000 0.448 797 G N 1.099 109.794 108.800 -0.174 0.000 2.705 797 G HA2 0.694 4.653 3.960 -0.001 0.000 0.299 797 G HA3 0.694 4.653 3.960 -0.001 0.000 0.299 797 G C -1.030 173.886 174.900 0.026 0.000 1.315 797 G CA -1.137 43.991 45.100 0.047 0.000 1.045 797 G HN 0.802 nan 8.290 nan 0.000 0.517 798 S N -0.864 114.872 115.700 0.059 0.000 2.652 798 S HA 0.564 5.033 4.470 -0.001 0.000 0.273 798 S C -0.661 173.965 174.600 0.044 0.000 1.172 798 S CA -0.506 57.716 58.200 0.036 0.000 1.009 798 S CB 1.440 64.646 63.200 0.010 0.000 1.094 798 S HN 0.730 nan 8.310 nan 0.000 0.471 799 S N 1.683 117.410 115.700 0.045 0.000 2.600 799 S HA 0.687 5.156 4.470 -0.001 0.000 0.300 799 S C -0.151 174.462 174.600 0.022 0.000 1.087 799 S CA -0.370 57.850 58.200 0.034 0.000 0.965 799 S CB 0.932 64.154 63.200 0.036 0.000 1.089 799 S HN 0.690 nan 8.310 nan 0.000 0.496 800 T N 2.967 117.532 114.554 0.017 0.000 2.259 800 T HA -0.019 4.330 4.350 -0.001 0.000 0.176 800 T C -0.142 174.565 174.700 0.012 0.000 1.032 800 T CA 1.580 63.688 62.100 0.013 0.000 1.254 800 T CB -1.232 67.644 68.868 0.012 0.000 0.967 800 T HN 0.657 nan 8.240 nan 0.000 0.419 801 I N 1.891 122.467 120.570 0.010 0.000 2.739 801 I HA 0.401 4.570 4.170 -0.001 0.000 0.295 801 I C 0.728 176.850 176.117 0.008 0.000 1.677 801 I CA 0.553 61.858 61.300 0.008 0.000 0.976 801 I CB 1.277 39.281 38.000 0.007 0.000 1.430 801 I HN 0.910 nan 8.210 nan 0.000 0.525 802 S N 3.902 119.606 115.700 0.007 0.000 2.061 802 S HA -0.245 4.224 4.470 -0.001 0.000 0.236 802 S C 0.173 174.777 174.600 0.008 0.000 1.096 802 S CA 1.033 59.237 58.200 0.007 0.000 1.537 802 S CB -2.288 60.916 63.200 0.007 0.000 1.961 802 S HN 1.656 nan 8.310 nan 0.000 0.571 803 L N 1.214 122.442 121.223 0.009 0.000 2.774 803 L HA 0.484 4.824 4.340 -0.001 0.000 0.279 803 L C 1.247 178.122 176.870 0.009 0.000 1.137 803 L CA -0.482 54.364 54.840 0.009 0.000 1.021 803 L CB -0.279 41.786 42.059 0.010 0.000 1.366 803 L HN 0.266 nan 8.230 nan 0.000 0.471 804 L N 3.041 124.269 121.223 0.008 0.000 2.651 804 L HA -0.089 4.250 4.340 -0.001 0.000 0.236 804 L C 2.111 178.986 176.870 0.008 0.000 1.173 804 L CA 1.425 56.270 54.840 0.007 0.000 0.843 804 L CB -0.910 41.153 42.059 0.007 0.000 0.964 804 L HN 0.676 nan 8.230 nan 0.000 0.454 805 K N -1.174 119.231 120.400 0.009 0.000 2.365 805 K HA 0.000 4.320 4.320 -0.001 0.000 0.197 805 K C 0.778 177.384 176.600 0.010 0.000 1.042 805 K CA -0.110 56.182 56.287 0.009 0.000 0.987 805 K CB -0.109 32.397 32.500 0.009 0.000 0.779 805 K HN 0.198 nan 8.250 nan 0.000 0.484 806 N N 2.677 121.383 118.700 0.010 0.000 2.454 806 N HA -0.029 4.710 4.740 -0.001 0.000 0.260 806 N C -0.905 174.613 175.510 0.012 0.000 1.218 806 N CA 0.772 53.830 53.050 0.012 0.000 0.904 806 N CB 0.524 39.018 38.487 0.012 0.000 1.065 806 N HN 0.101 nan 8.380 nan 0.000 0.462 807 K N 1.442 121.851 120.400 0.014 0.000 2.259 807 K HA 0.544 4.863 4.320 -0.001 0.000 0.249 807 K C 0.030 176.641 176.600 0.017 0.000 0.942 807 K CA -0.817 55.479 56.287 0.014 0.000 0.816 807 K CB 1.847 34.355 32.500 0.014 0.000 1.155 807 K HN 0.428 nan 8.250 nan 0.000 0.428 808 A N 1.966 124.796 122.820 0.016 0.000 2.197 808 A HA 0.131 4.450 4.320 -0.001 0.000 0.210 808 A C -0.009 177.581 177.584 0.010 0.000 1.180 808 A CA 0.337 52.381 52.037 0.013 0.000 0.846 808 A CB 0.243 19.250 19.000 0.013 0.000 0.884 808 A HN 0.465 nan 8.150 nan 0.000 0.487 809 L N 0.848 122.077 121.223 0.009 0.000 2.341 809 L HA 0.614 4.953 4.340 -0.001 0.000 0.278 809 L C -2.344 174.531 176.870 0.007 0.000 1.005 809 L CA -1.837 53.007 54.840 0.007 0.000 0.818 809 L CB 2.181 44.244 42.059 0.006 0.000 1.259 809 L HN 0.036 nan 8.230 nan 0.000 0.418 810 P HA 0.395 nan 4.420 nan 0.000 0.300 810 P C 0.600 177.903 177.300 0.005 0.000 1.336 810 P CA 0.373 63.477 63.100 0.006 0.000 0.824 810 P CB 1.047 32.751 31.700 0.006 0.000 2.091 811 V N -1.759 118.158 119.914 0.005 0.000 1.115 811 V HA -0.368 3.751 4.120 -0.001 0.000 0.037 811 V C 1.640 177.737 176.094 0.004 0.000 2.140 811 V CA 2.855 65.157 62.300 0.004 0.000 3.046 811 V CB -2.354 29.470 31.823 0.003 0.000 1.438 811 V HN 1.071 nan 8.190 nan 0.000 0.999 812 G N -1.959 106.843 108.800 0.004 0.000 3.700 812 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.211 812 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.211 812 G C 0.395 175.297 174.900 0.002 0.000 1.777 812 G CA 0.347 45.449 45.100 0.004 0.000 1.460 812 G HN 1.794 nan 8.290 nan 0.000 0.615 813 T N 1.843 116.398 114.554 0.001 0.000 3.704 813 T HA -0.159 4.190 4.350 -0.001 0.000 0.388 813 T C 0.744 175.443 174.700 -0.002 0.000 0.763 813 T CA 1.089 63.188 62.100 -0.001 0.000 2.005 813 T CB -2.016 66.851 68.868 -0.001 0.000 1.752 813 T HN 1.967 nan 8.240 nan 0.000 0.747 814 L N -1.103 120.120 121.223 -0.001 0.000 2.720 814 L HA 0.251 4.590 4.340 -0.001 0.000 0.289 814 L C 0.178 177.045 176.870 -0.005 0.000 1.232 814 L CA 0.243 55.082 54.840 -0.002 0.000 0.915 814 L CB 0.184 42.243 42.059 -0.001 0.000 1.184 814 L HN 0.348 nan 8.230 nan 0.000 0.491 815 L N 6.066 127.285 121.223 -0.005 0.000 2.349 815 L HA 0.538 4.878 4.340 -0.001 0.000 0.278 815 L C -0.035 176.828 176.870 -0.013 0.000 0.996 815 L CA -0.949 53.886 54.840 -0.009 0.000 0.825 815 L CB 1.948 44.002 42.059 -0.008 0.000 1.243 815 L HN 0.720 nan 8.230 nan 0.000 0.412 816 V N -0.386 119.516 119.914 -0.018 0.000 2.617 816 V HA 0.520 4.640 4.120 -0.001 0.000 0.298 816 V C -0.114 175.957 176.094 -0.038 0.000 1.048 816 V CA -0.687 61.596 62.300 -0.029 0.000 0.964 816 V CB 1.940 33.745 31.823 -0.029 0.000 1.004 816 V HN 0.615 nan 8.190 nan 0.000 0.466 817 E N 3.573 123.739 120.200 -0.056 0.000 2.134 817 E HA 0.580 4.929 4.350 -0.001 0.000 0.278 817 E C -1.461 175.065 176.600 -0.123 0.000 0.959 817 E CA -0.383 55.976 56.400 -0.069 0.000 0.783 817 E CB 1.751 31.427 29.700 -0.040 0.000 1.095 817 E HN 0.675 nan 8.360 nan 0.000 0.399 818 L N 4.895 126.047 121.223 -0.119 0.000 2.427 818 L HA 0.461 4.800 4.340 -0.001 0.000 0.264 818 L C -0.155 176.554 176.870 -0.268 0.000 0.989 818 L CA -0.032 54.678 54.840 -0.217 0.000 0.865 818 L CB 1.039 43.037 42.059 -0.101 0.000 1.209 818 L HN 0.390 nan 8.230 nan 0.000 0.430 819 I N 2.374 122.721 120.570 -0.371 0.000 2.437 819 I HA 0.471 4.640 4.170 -0.001 0.000 0.298 819 I C -0.787 175.054 176.117 -0.461 0.000 0.984 819 I CA -0.705 60.453 61.300 -0.237 0.000 1.214 819 I CB 1.708 39.679 38.000 -0.049 0.000 1.365 819 I HN 0.430 nan 8.210 nan 0.000 0.469 820 Y N 3.395 123.721 120.300 0.042 0.000 2.605 820 Y HA 0.592 5.141 4.550 -0.001 0.000 0.343 820 Y C -0.196 175.759 175.900 0.092 0.000 1.036 820 Y CA -0.820 57.314 58.100 0.056 0.000 1.065 820 Y CB 1.919 40.406 38.460 0.046 0.000 1.288 820 Y HN 0.095 nan 8.280 nan 0.000 0.481 821 V N 1.718 121.811 119.914 0.300 0.000 2.815 821 V HA 0.484 4.604 4.120 -0.001 0.000 0.314 821 V C -0.643 175.579 176.094 0.213 0.000 1.064 821 V CA -1.157 61.269 62.300 0.209 0.000 0.952 821 V CB 1.857 33.772 31.823 0.154 0.000 1.020 821 V HN 0.563 nan 8.190 nan 0.000 0.439 822 V N 0.275 120.280 119.914 0.153 0.000 2.270 822 V HA 0.518 4.637 4.120 -0.001 0.000 0.263 822 V C 0.070 176.210 176.094 0.078 0.000 1.066 822 V CA -0.518 61.852 62.300 0.116 0.000 0.857 822 V CB 0.285 32.163 31.823 0.091 0.000 1.099 822 V HN 0.805 nan 8.190 nan 0.000 0.476 823 E N 4.020 124.263 120.200 0.072 0.000 2.360 823 E HA 0.572 4.921 4.350 -0.001 0.000 0.269 823 E C 0.277 176.879 176.600 0.004 0.000 1.022 823 E CA 0.284 56.709 56.400 0.043 0.000 0.887 823 E CB 1.936 31.666 29.700 0.049 0.000 0.990 823 E HN 0.950 nan 8.360 nan 0.000 0.426 824 A N 3.679 126.496 122.820 -0.006 0.000 3.453 824 A HA 0.080 4.399 4.320 -0.001 0.000 0.262 824 A C -0.417 177.149 177.584 -0.031 0.000 1.026 824 A CA -0.715 51.305 52.037 -0.027 0.000 0.938 824 A CB 0.297 19.277 19.000 -0.033 0.000 1.246 824 A HN 0.341 nan 8.150 nan 0.000 0.546 825 Q N 0.802 120.589 119.800 -0.021 0.000 2.308 825 Q HA 0.396 4.735 4.340 -0.001 0.000 0.313 825 Q C 0.131 176.114 176.000 -0.029 0.000 1.075 825 Q CA 1.242 57.035 55.803 -0.017 0.000 0.995 825 Q CB 0.266 28.999 28.738 -0.009 0.000 1.107 825 Q HN 1.480 nan 8.270 nan 0.000 0.380 826 A N 3.971 126.773 122.820 -0.030 0.000 2.588 826 A HA 0.401 4.721 4.320 -0.001 0.000 0.305 826 A C -2.716 174.846 177.584 -0.036 0.000 0.991 826 A CA -1.250 50.766 52.037 -0.036 0.000 0.784 826 A CB 0.552 19.523 19.000 -0.049 0.000 1.189 826 A HN 0.509 nan 8.150 nan 0.000 0.390 827 P HA 0.103 nan 4.420 nan 0.000 0.266 827 P C 0.514 177.793 177.300 -0.035 0.000 1.195 827 P CA 0.155 63.240 63.100 -0.024 0.000 0.768 827 P CB 0.605 32.295 31.700 -0.016 0.000 0.838 828 K N 1.422 121.802 120.400 -0.034 0.000 2.286 828 K HA -0.213 4.107 4.320 -0.001 0.000 0.203 828 K C 1.842 178.422 176.600 -0.034 0.000 1.045 828 K CA 1.132 57.392 56.287 -0.045 0.000 0.935 828 K CB -0.142 32.337 32.500 -0.034 0.000 0.737 828 K HN 0.549 nan 8.250 nan 0.000 0.460 829 Q N 0.707 120.495 119.800 -0.020 0.000 2.585 829 Q HA -0.137 4.202 4.340 -0.001 0.000 0.219 829 Q C 0.253 176.238 176.000 -0.026 0.000 0.984 829 Q CA 0.652 56.448 55.803 -0.011 0.000 0.915 829 Q CB 0.244 28.980 28.738 -0.002 0.000 0.967 829 Q HN 0.179 nan 8.270 nan 0.000 0.530 830 L N -0.227 120.970 121.223 -0.044 0.000 3.229 830 L HA 0.194 4.534 4.340 -0.001 0.000 0.286 830 L C 0.112 176.938 176.870 -0.074 0.000 1.239 830 L CA 0.053 54.855 54.840 -0.064 0.000 1.035 830 L CB -0.041 41.975 42.059 -0.072 0.000 1.408 830 L HN 0.109 nan 8.230 nan 0.000 0.593 831 Q N 0.314 120.080 119.800 -0.058 0.000 2.436 831 Q HA -0.207 4.132 4.340 -0.001 0.000 0.264 831 Q C 1.495 177.458 176.000 -0.060 0.000 1.093 831 Q CA 0.892 56.666 55.803 -0.047 0.000 0.994 831 Q CB -1.791 26.934 28.738 -0.022 0.000 1.434 831 Q HN 0.728 nan 8.270 nan 0.000 0.520 832 L N -3.579 117.591 121.223 -0.088 0.000 2.651 832 L HA -0.054 4.285 4.340 -0.001 0.000 0.236 832 L C 1.619 178.433 176.870 -0.092 0.000 1.173 832 L CA 1.741 56.526 54.840 -0.092 0.000 0.843 832 L CB -0.196 41.807 42.059 -0.094 0.000 0.964 832 L HN 0.214 nan 8.230 nan 0.000 0.454 833 N N 2.091 120.717 118.700 -0.123 0.000 2.545 833 N HA -0.065 4.674 4.740 -0.001 0.000 0.190 833 N C 1.798 177.267 175.510 -0.070 0.000 1.043 833 N CA 0.768 53.686 53.050 -0.219 0.000 0.879 833 N CB 0.121 38.279 38.487 -0.548 0.000 1.210 833 N HN 0.560 nan 8.380 nan 0.000 0.437 834 R N -0.670 119.860 120.500 0.049 0.000 2.395 834 R HA -0.008 4.332 4.340 -0.001 0.000 0.202 834 R C 0.227 176.586 176.300 0.097 0.000 1.088 834 R CA 1.082 57.240 56.100 0.097 0.000 1.090 834 R CB -0.490 29.889 30.300 0.132 0.000 0.876 834 R HN 0.131 nan 8.270 nan 0.000 0.477 835 F N -0.894 119.016 119.950 -0.066 0.000 2.856 835 F HA 0.362 4.889 4.527 -0.001 0.000 0.338 835 F C 0.061 175.836 175.800 -0.042 0.000 1.005 835 F CA -0.543 57.429 58.000 -0.046 0.000 1.155 835 F CB 1.082 40.056 39.000 -0.043 0.000 1.010 835 F HN -0.009 nan 8.300 nan 0.000 0.587 836 L N 2.040 123.326 121.223 0.104 0.000 2.691 836 L HA 0.284 4.624 4.340 -0.001 0.000 0.239 836 L C -2.918 173.950 176.870 -0.003 0.000 1.062 836 L CA -1.011 53.857 54.840 0.046 0.000 1.002 836 L CB 1.043 43.139 42.059 0.061 0.000 1.232 836 L HN -0.260 nan 8.230 nan 0.000 0.542 837 P HA 0.405 nan 4.420 nan 0.000 0.312 837 P C -2.788 174.553 177.300 0.068 0.000 1.308 837 P CA -1.481 61.588 63.100 -0.051 0.000 0.743 837 P CB -0.135 31.533 31.700 -0.052 0.000 1.364 838 P HA 0.043 nan 4.420 nan 0.000 0.262 838 P C -0.553 176.819 177.300 0.120 0.000 1.199 838 P CA 0.864 64.044 63.100 0.134 0.000 0.763 838 P CB -0.357 31.443 31.700 0.166 0.000 0.790 839 T N 6.369 120.985 114.554 0.104 0.000 2.812 839 T HA 0.450 4.799 4.350 -0.001 0.000 0.282 839 T C -2.236 172.535 174.700 0.118 0.000 0.990 839 T CA -1.685 60.470 62.100 0.091 0.000 0.960 839 T CB 1.677 70.594 68.868 0.081 0.000 0.948 839 T HN 0.341 nan 8.240 nan 0.000 0.438 840 P HA 0.516 nan 4.420 nan 0.000 0.279 840 P C -1.013 176.408 177.300 0.202 0.000 1.276 840 P CA -0.646 62.559 63.100 0.175 0.000 0.801 840 P CB 1.254 33.078 31.700 0.206 0.000 1.127 841 V N 0.902 120.947 119.914 0.218 0.000 2.777 841 V HA 0.213 4.333 4.120 -0.001 0.000 0.267 841 V C 0.053 176.202 176.094 0.090 0.000 1.031 841 V CA -0.652 61.751 62.300 0.172 0.000 0.921 841 V CB 0.732 32.673 31.823 0.196 0.000 1.055 841 V HN 0.665 nan 8.190 nan 0.000 0.485 845 L N -0.357 120.855 121.223 -0.017 0.000 3.041 845 L HA 0.765 5.104 4.340 -0.001 0.000 0.278 845 L C -1.837 175.023 176.870 -0.016 0.000 1.051 845 L CA -0.796 54.035 54.840 -0.016 0.000 0.957 845 L CB 2.128 44.178 42.059 -0.015 0.000 1.538 845 L HN 0.481 nan 8.230 nan 0.000 0.393 846 D N -0.561 119.830 120.400 -0.016 0.000 2.445 846 D HA 0.324 4.963 4.640 -0.001 0.000 0.236 846 D C -0.361 175.927 176.300 -0.019 0.000 1.315 846 D CA -0.261 53.729 54.000 -0.016 0.000 0.924 846 D CB 0.625 41.418 40.800 -0.012 0.000 1.447 846 D HN 0.727 nan 8.370 nan 0.000 0.532 847 K N 0.377 120.762 120.400 -0.025 0.000 3.495 847 K HA -0.238 4.082 4.320 -0.001 0.000 0.315 847 K C 0.058 176.643 176.600 -0.025 0.000 1.301 847 K CA 1.379 57.648 56.287 -0.029 0.000 0.985 847 K CB -1.368 31.117 32.500 -0.027 0.000 1.244 847 K HN 0.667 nan 8.250 nan 0.000 0.433 848 N N 0.754 119.441 118.700 -0.021 0.000 2.417 848 N HA 0.297 5.036 4.740 -0.001 0.000 0.300 848 N C 0.178 175.677 175.510 -0.018 0.000 1.102 848 N CA 0.195 53.234 53.050 -0.018 0.000 0.886 848 N CB 1.394 39.872 38.487 -0.014 0.000 1.203 848 N HN 0.102 nan 8.380 nan 0.000 0.496 849 G N 1.639 110.428 108.800 -0.017 0.000 2.257 849 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.235 849 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.235 849 G C 0.581 175.472 174.900 -0.014 0.000 1.225 849 G CA -0.330 44.760 45.100 -0.017 0.000 0.878 849 G HN 0.895 nan 8.290 nan 0.000 0.505 850 N N 2.049 120.741 118.700 -0.013 0.000 2.052 850 N HA -0.169 4.570 4.740 -0.001 0.000 0.283 850 N C -0.321 175.184 175.510 -0.009 0.000 1.272 850 N CA 0.789 53.833 53.050 -0.009 0.000 0.810 850 N CB 0.053 38.538 38.487 -0.002 0.000 1.042 850 N HN 0.620 nan 8.380 nan 0.000 0.483 851 N N 1.375 120.068 118.700 -0.011 0.000 2.426 851 N HA 0.231 4.970 4.740 -0.001 0.000 0.275 851 N C -0.184 175.318 175.510 -0.014 0.000 1.019 851 N CA -0.687 52.356 53.050 -0.012 0.000 0.941 851 N CB 1.211 39.690 38.487 -0.013 0.000 1.123 851 N HN 0.415 nan 8.380 nan 0.000 0.486 852 L N 3.136 124.352 121.223 -0.011 0.000 3.094 852 L HA 0.353 4.692 4.340 -0.001 0.000 0.254 852 L C 1.291 178.154 176.870 -0.012 0.000 1.298 852 L CA 0.002 54.836 54.840 -0.010 0.000 1.050 852 L CB -0.559 41.498 42.059 -0.003 0.000 1.420 852 L HN 0.698 nan 8.230 nan 0.000 0.548 853 A N 0.531 123.342 122.820 -0.015 0.000 2.200 853 A HA 0.035 4.354 4.320 -0.001 0.000 0.210 853 A C 1.347 178.921 177.584 -0.017 0.000 1.266 853 A CA 2.005 54.033 52.037 -0.015 0.000 0.839 853 A CB -0.892 18.099 19.000 -0.015 0.000 0.813 853 A HN 0.566 nan 8.150 nan 0.000 0.520 854 A N -3.582 119.226 122.820 -0.019 0.000 2.793 854 A HA 0.613 4.933 4.320 -0.001 0.000 0.236 854 A C 0.393 177.965 177.584 -0.020 0.000 1.242 854 A CA -0.325 51.699 52.037 -0.022 0.000 0.885 854 A CB 0.033 19.017 19.000 -0.025 0.000 1.436 854 A HN 0.491 nan 8.150 nan 0.000 0.483 855 Q N -1.540 118.251 119.800 -0.015 0.000 2.604 855 Q HA 0.249 4.589 4.340 -0.001 0.000 0.223 855 Q C 0.676 176.660 176.000 -0.026 0.000 1.169 855 Q CA 0.774 56.575 55.803 -0.004 0.000 1.059 855 Q CB -0.230 28.514 28.738 0.010 0.000 2.962 855 Q HN 0.604 nan 8.270 nan 0.000 0.553 856 V N -1.408 118.490 119.914 -0.027 0.000 3.188 856 V HA -0.064 4.055 4.120 -0.001 0.000 0.258 856 V C 1.534 177.578 176.094 -0.083 0.000 1.702 856 V CA 0.649 62.907 62.300 -0.070 0.000 1.020 856 V CB 0.651 32.400 31.823 -0.124 0.000 0.884 856 V HN 0.555 nan 8.190 nan 0.000 0.399 857 E N 1.554 121.728 120.200 -0.043 0.000 2.005 857 E HA -0.244 4.105 4.350 -0.001 0.000 0.198 857 E C 1.910 178.334 176.600 -0.294 0.000 1.010 857 E CA 2.400 58.758 56.400 -0.070 0.000 0.825 857 E CB -0.467 29.249 29.700 0.027 0.000 0.769 857 E HN 0.395 nan 8.360 nan 0.000 0.456 858 F N 1.324 120.998 119.950 -0.461 0.000 2.202 858 F HA -0.117 4.409 4.527 -0.001 0.000 0.301 858 F C 2.228 177.561 175.800 -0.778 0.000 1.082 858 F CA 1.911 59.371 58.000 -0.900 0.000 1.313 858 F CB -0.064 38.688 39.000 -0.413 0.000 1.024 858 F HN 0.179 nan 8.300 nan 0.000 0.495 859 E N -0.679 119.391 120.200 -0.216 0.000 2.153 859 E HA -0.184 4.165 4.350 -0.001 0.000 0.194 859 E C 2.047 178.514 176.600 -0.222 0.000 0.988 859 E CA 1.665 57.972 56.400 -0.156 0.000 0.811 859 E CB -0.111 29.542 29.700 -0.078 0.000 0.746 859 E HN 0.409 nan 8.360 nan 0.000 0.466 860 T N 1.334 115.730 114.554 -0.263 0.000 2.643 860 T HA -0.187 4.162 4.350 -0.001 0.000 0.264 860 T C 1.393 176.023 174.700 -0.117 0.000 1.045 860 T CA 1.557 63.556 62.100 -0.170 0.000 1.155 860 T CB -0.489 68.304 68.868 -0.125 0.000 0.863 860 T HN 0.321 nan 8.240 nan 0.000 0.420 861 F N 2.127 121.996 119.950 -0.134 0.000 2.733 861 F HA 0.363 4.889 4.527 -0.001 0.000 0.301 861 F C 1.145 176.824 175.800 -0.202 0.000 1.240 861 F CA -0.805 57.094 58.000 -0.167 0.000 1.432 861 F CB -1.344 37.536 39.000 -0.201 0.000 1.089 861 F HN 0.073 nan 8.300 nan 0.000 0.533 862 N N 0.394 119.039 118.700 -0.091 0.000 2.227 862 N HA 0.135 4.874 4.740 -0.001 0.000 0.196 862 N C -0.088 175.411 175.510 -0.017 0.000 1.142 862 N CA -0.170 52.843 53.050 -0.060 0.000 0.887 862 N CB 0.456 38.866 38.487 -0.129 0.000 1.022 862 N HN 0.222 nan 8.380 nan 0.000 0.500 863 R N 0.313 120.800 120.500 -0.021 0.000 2.514 863 R HA 0.420 4.759 4.340 -0.001 0.000 0.301 863 R C -1.159 175.147 176.300 0.010 0.000 0.962 863 R CA -0.656 55.441 56.100 -0.005 0.000 0.882 863 R CB 1.617 31.909 30.300 -0.013 0.000 1.143 863 R HN 0.159 nan 8.270 nan 0.000 0.452 864 Q N 1.899 121.707 119.800 0.013 0.000 2.340 864 Q HA 0.293 4.633 4.340 -0.001 0.000 0.268 864 Q C -0.556 175.454 176.000 0.016 0.000 1.031 864 Q CA -0.664 55.148 55.803 0.014 0.000 0.804 864 Q CB 2.054 30.799 28.738 0.012 0.000 1.286 864 Q HN 0.365 nan 8.270 nan 0.000 0.448 865 L N 1.614 122.847 121.223 0.017 0.000 2.491 865 L HA 0.323 4.662 4.340 -0.001 0.000 0.164 865 L C -0.585 176.294 176.870 0.014 0.000 0.979 865 L CA 0.398 55.250 54.840 0.019 0.000 1.124 865 L CB 0.468 42.539 42.059 0.020 0.000 1.685 865 L HN 0.725 nan 8.230 nan 0.000 0.467 866 N N -0.366 118.341 118.700 0.013 0.000 2.369 866 N HA 0.383 5.123 4.740 -0.001 0.000 0.287 866 N C -1.485 174.030 175.510 0.008 0.000 1.067 866 N CA -0.222 52.834 53.050 0.011 0.000 0.888 866 N CB 1.673 40.167 38.487 0.012 0.000 1.616 866 N HN 0.602 nan 8.380 nan 0.000 0.482 867 A N 1.588 124.412 122.820 0.007 0.000 3.063 867 A HA 0.444 4.763 4.320 -0.001 0.000 0.263 867 A C 0.331 177.920 177.584 0.008 0.000 1.736 867 A CA -0.268 51.772 52.037 0.005 0.000 1.408 867 A CB -0.973 18.028 19.000 0.002 0.000 1.108 867 A HN 0.419 nan 8.150 nan 0.000 0.621 868 V N -1.562 118.358 119.914 0.011 0.000 3.074 868 V HA 0.600 4.719 4.120 -0.001 0.000 0.314 868 V C 0.149 176.252 176.094 0.014 0.000 1.117 868 V CA -1.020 61.291 62.300 0.017 0.000 1.014 868 V CB 1.850 33.688 31.823 0.024 0.000 1.057 868 V HN 0.460 nan 8.190 nan 0.000 0.438 869 N N 0.447 119.160 118.700 0.022 0.000 3.251 869 N HA 0.267 5.006 4.740 -0.001 0.000 0.227 869 N C 0.751 176.271 175.510 0.017 0.000 1.084 869 N CA -0.078 52.981 53.050 0.016 0.000 1.167 869 N CB 0.515 39.011 38.487 0.014 0.000 1.548 869 N HN 0.502 nan 8.380 nan 0.000 0.592 870 R N -0.251 120.270 120.500 0.035 0.000 2.544 870 R HA 0.176 4.515 4.340 -0.001 0.000 0.303 870 R C 1.066 177.394 176.300 0.047 0.000 0.939 870 R CA 0.073 56.189 56.100 0.026 0.000 1.102 870 R CB 0.253 30.564 30.300 0.018 0.000 1.440 870 R HN 0.418 nan 8.270 nan 0.000 0.532 871 H N -0.197 118.865 119.070 -0.013 0.000 2.506 871 H HA 0.228 4.783 4.556 -0.001 0.000 0.289 871 H C -0.123 175.199 175.328 -0.010 0.000 1.009 871 H CA 1.054 57.095 56.048 -0.011 0.000 1.303 871 H CB 1.137 30.894 29.762 -0.008 0.000 1.453 871 H HN -0.162 nan 8.280 nan 0.000 0.526 872 T N 0.694 115.337 114.554 0.149 0.000 3.269 872 T HA 0.280 4.629 4.350 -0.001 0.000 0.269 872 T C 0.976 175.693 174.700 0.029 0.000 0.993 872 T CA 0.228 62.383 62.100 0.091 0.000 0.909 872 T CB 0.554 69.502 68.868 0.133 0.000 1.115 872 T HN 0.441 nan 8.240 nan 0.000 0.543 873 G N 1.710 110.512 108.800 0.003 0.000 2.621 873 G HA2 0.062 4.021 3.960 -0.001 0.000 0.209 873 G HA3 0.062 4.021 3.960 -0.001 0.000 0.209 873 G C 1.093 175.976 174.900 -0.028 0.000 1.379 873 G CA -0.054 45.041 45.100 -0.008 0.000 0.766 873 G HN 0.470 nan 8.290 nan 0.000 0.599 874 S N 0.599 116.271 115.700 -0.047 0.000 2.967 874 S HA 0.153 4.623 4.470 -0.001 0.000 0.254 874 S C 1.313 175.870 174.600 -0.072 0.000 1.089 874 S CA 0.413 58.574 58.200 -0.065 0.000 1.183 874 S CB 0.309 63.456 63.200 -0.089 0.000 0.848 874 S HN 0.457 nan 8.310 nan 0.000 0.477 875 K N 1.145 121.509 120.400 -0.061 0.000 2.486 875 K HA 0.197 4.516 4.320 -0.001 0.000 0.194 875 K C 0.743 177.323 176.600 -0.033 0.000 1.033 875 K CA 0.563 56.811 56.287 -0.064 0.000 1.004 875 K CB -0.103 32.362 32.500 -0.058 0.000 0.798 875 K HN 0.555 nan 8.250 nan 0.000 0.495 876 L N -0.149 121.061 121.223 -0.023 0.000 3.069 876 L HA 0.172 4.511 4.340 -0.001 0.000 0.271 876 L C 1.287 178.163 176.870 0.011 0.000 1.201 876 L CA -0.349 54.489 54.840 -0.003 0.000 1.015 876 L CB 0.842 42.901 42.059 -0.001 0.000 1.371 876 L HN -0.074 nan 8.230 nan 0.000 0.574 877 V N 0.755 120.667 119.914 -0.003 0.000 2.283 877 V HA -0.065 4.054 4.120 -0.001 0.000 0.239 877 V C 1.674 177.848 176.094 0.132 0.000 1.035 877 V CA 2.068 64.377 62.300 0.014 0.000 1.018 877 V CB 0.138 31.891 31.823 -0.116 0.000 0.658 877 V HN 0.642 nan 8.190 nan 0.000 0.459 878 N N 0.181 118.954 118.700 0.122 0.000 2.471 878 N HA 0.188 4.927 4.740 -0.001 0.000 0.205 878 N C 0.576 176.165 175.510 0.131 0.000 1.251 878 N CA 0.978 54.179 53.050 0.252 0.000 0.843 878 N CB 0.162 38.765 38.487 0.193 0.000 1.044 878 N HN 0.573 nan 8.380 nan 0.000 0.461 879 A N -1.337 121.536 122.820 0.089 0.000 2.390 879 A HA 0.303 4.622 4.320 -0.001 0.000 0.225 879 A C 0.767 178.378 177.584 0.045 0.000 1.232 879 A CA -0.015 52.053 52.037 0.050 0.000 0.964 879 A CB 0.634 19.651 19.000 0.027 0.000 1.064 879 A HN 0.144 nan 8.150 nan 0.000 0.525 880 V N 1.189 121.140 119.914 0.061 0.000 3.330 880 V HA -0.018 4.102 4.120 -0.001 0.000 0.309 880 V C 2.013 178.142 176.094 0.058 0.000 1.481 880 V CA 0.451 62.780 62.300 0.048 0.000 1.068 880 V CB 0.217 32.062 31.823 0.037 0.000 0.935 880 V HN 0.699 nan 8.190 nan 0.000 0.453 881 Q N 1.587 121.430 119.800 0.071 0.000 2.014 881 Q HA -0.329 4.010 4.340 -0.001 0.000 0.207 881 Q C 1.989 178.008 176.000 0.030 0.000 0.993 881 Q CA 2.528 58.355 55.803 0.041 0.000 0.850 881 Q CB -0.373 28.335 28.738 -0.050 0.000 0.916 881 Q HN 0.723 nan 8.270 nan 0.000 0.417 882 Q N 1.466 121.278 119.800 0.020 0.000 1.967 882 Q HA -0.214 4.125 4.340 -0.001 0.000 0.202 882 Q C 1.194 177.226 176.000 0.053 0.000 0.985 882 Q CA 2.093 57.920 55.803 0.039 0.000 0.839 882 Q CB -0.121 28.626 28.738 0.016 0.000 0.906 882 Q HN 0.418 nan 8.270 nan 0.000 0.423 883 D N 0.492 120.911 120.400 0.032 0.000 2.797 883 D HA -0.270 4.370 4.640 -0.001 0.000 0.222 883 D C 1.870 178.183 176.300 0.021 0.000 1.070 883 D CA 2.510 56.523 54.000 0.022 0.000 0.926 883 D CB -0.720 40.092 40.800 0.021 0.000 1.136 883 D HN 0.249 nan 8.370 nan 0.000 0.487 884 V N -0.289 119.645 119.914 0.034 0.000 2.809 884 V HA -0.174 3.945 4.120 -0.001 0.000 0.256 884 V C 2.074 178.200 176.094 0.053 0.000 1.080 884 V CA 1.506 63.824 62.300 0.029 0.000 1.102 884 V CB -0.690 31.148 31.823 0.025 0.000 0.705 884 V HN 0.308 nan 8.190 nan 0.000 0.475 885 H N 1.973 121.033 119.070 -0.017 0.000 2.390 885 H HA -0.206 4.350 4.556 -0.001 0.000 0.298 885 H C 2.139 177.455 175.328 -0.021 0.000 1.106 885 H CA 1.851 57.887 56.048 -0.021 0.000 1.297 885 H CB -0.337 29.410 29.762 -0.026 0.000 1.375 885 H HN 0.345 nan 8.280 nan 0.000 0.509 886 A N 0.627 123.325 122.820 -0.203 0.000 1.986 886 A HA -0.135 4.185 4.320 -0.001 0.000 0.220 886 A C 2.641 180.116 177.584 -0.183 0.000 1.171 886 A CA 1.711 53.597 52.037 -0.251 0.000 0.640 886 A CB -0.831 18.098 19.000 -0.120 0.000 0.811 886 A HN 0.560 nan 8.150 nan 0.000 0.451 887 I N -0.492 120.018 120.570 -0.101 0.000 2.353 887 I HA -0.173 3.996 4.170 -0.001 0.000 0.248 887 I C 2.173 178.254 176.117 -0.059 0.000 1.119 887 I CA 0.417 61.680 61.300 -0.062 0.000 1.417 887 I CB -0.358 37.625 38.000 -0.028 0.000 1.078 887 I HN 0.220 nan 8.210 nan 0.000 0.421 888 L N 1.160 122.357 121.223 -0.044 0.000 1.955 888 L HA -0.242 4.098 4.340 -0.001 0.000 0.213 888 L C 2.872 179.713 176.870 -0.049 0.000 1.072 888 L CA 2.216 57.065 54.840 0.014 0.000 0.755 888 L CB -1.658 40.523 42.059 0.203 0.000 0.888 888 L HN 0.489 nan 8.230 nan 0.000 0.432 889 Q N -0.348 119.350 119.800 -0.169 0.000 2.197 889 Q HA -0.231 4.108 4.340 -0.001 0.000 0.207 889 Q C 2.192 178.124 176.000 -0.114 0.000 0.984 889 Q CA 1.519 57.230 55.803 -0.153 0.000 0.869 889 Q CB -0.629 27.945 28.738 -0.273 0.000 0.906 889 Q HN 0.444 nan 8.270 nan 0.000 0.426 890 L N 0.911 122.067 121.223 -0.112 0.000 2.275 890 L HA -0.035 4.304 4.340 -0.001 0.000 0.215 890 L C 2.432 179.253 176.870 -0.081 0.000 1.119 890 L CA 0.850 55.639 54.840 -0.085 0.000 0.790 890 L CB -0.520 41.496 42.059 -0.072 0.000 0.919 890 L HN 0.423 nan 8.230 nan 0.000 0.443 891 G N -0.751 108.003 108.800 -0.077 0.000 2.414 891 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.215 891 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.215 891 G C 1.393 176.174 174.900 -0.199 0.000 1.188 891 G CA 0.494 45.543 45.100 -0.085 0.000 0.783 891 G HN 0.393 nan 8.290 nan 0.000 0.537 892 E N 0.608 120.680 120.200 -0.214 0.000 2.273 892 E HA -0.139 4.211 4.350 -0.001 0.000 0.198 892 E C 2.632 179.078 176.600 -0.256 0.000 1.002 892 E CA 0.854 57.058 56.400 -0.326 0.000 0.828 892 E CB -0.190 29.395 29.700 -0.191 0.000 0.747 892 E HN 0.366 nan 8.360 nan 0.000 0.491 893 A N 0.696 123.422 122.820 -0.157 0.000 1.858 893 A HA -0.184 4.135 4.320 -0.001 0.000 0.216 893 A C 1.669 179.189 177.584 -0.107 0.000 1.190 893 A CA 1.393 53.370 52.037 -0.100 0.000 0.617 893 A CB -0.171 18.786 19.000 -0.071 0.000 0.827 893 A HN 0.255 nan 8.150 nan 0.000 0.443 894 Q N -0.085 119.634 119.800 -0.135 0.000 2.462 894 Q HA 0.583 4.923 4.340 -0.001 0.000 0.247 894 Q C -0.210 175.668 176.000 -0.203 0.000 1.044 894 Q CA 0.051 55.784 55.803 -0.116 0.000 0.803 894 Q CB 0.414 29.110 28.738 -0.068 0.000 1.190 894 Q HN 0.665 nan 8.270 nan 0.000 0.507 895 I N -1.029 119.415 120.570 -0.211 0.000 5.221 895 I HA 0.243 4.412 4.170 -0.001 0.000 0.332 895 I C 0.845 177.024 176.117 0.104 0.000 1.170 895 I CA -0.245 60.879 61.300 -0.294 0.000 1.501 895 I CB 0.268 37.675 38.000 -0.988 0.000 1.706 895 I HN 0.241 nan 8.210 nan 0.000 0.564 896 E N 3.084 123.444 120.200 0.266 0.000 1.998 896 E HA -0.146 4.203 4.350 -0.001 0.000 0.196 896 E C 1.652 178.338 176.600 0.145 0.000 1.003 896 E CA 1.930 58.533 56.400 0.337 0.000 0.829 896 E CB -0.187 29.663 29.700 0.250 0.000 0.777 896 E HN 0.290 nan 8.360 nan 0.000 0.460 897 K N 0.937 121.388 120.400 0.085 0.000 2.066 897 K HA -0.272 4.047 4.320 -0.001 0.000 0.221 897 K C 2.251 178.881 176.600 0.049 0.000 1.056 897 K CA 2.194 58.510 56.287 0.049 0.000 0.950 897 K CB -1.276 31.241 32.500 0.027 0.000 0.726 897 K HN 0.243 nan 8.250 nan 0.000 0.456 898 S N 0.740 116.467 115.700 0.045 0.000 2.365 898 S HA -0.224 4.245 4.470 -0.001 0.000 0.221 898 S C 2.226 176.865 174.600 0.066 0.000 1.037 898 S CA 1.330 59.558 58.200 0.045 0.000 1.060 898 S CB -1.079 62.139 63.200 0.030 0.000 0.974 898 S HN 0.399 nan 8.310 nan 0.000 0.427 899 A N 2.761 125.641 122.820 0.099 0.000 1.824 899 A HA -0.060 4.259 4.320 -0.001 0.000 0.215 899 A C 2.289 179.916 177.584 0.072 0.000 1.209 899 A CA 1.762 53.867 52.037 0.113 0.000 0.614 899 A CB -1.165 17.953 19.000 0.197 0.000 0.852 899 A HN 0.533 nan 8.150 nan 0.000 0.447 900 R N -0.436 120.104 120.500 0.065 0.000 2.189 900 R HA -0.300 4.039 4.340 -0.001 0.000 0.252 900 R C 2.259 178.575 176.300 0.027 0.000 1.134 900 R CA 2.323 58.440 56.100 0.029 0.000 0.954 900 R CB -0.715 29.601 30.300 0.026 0.000 0.890 900 R HN 0.500 nan 8.270 nan 0.000 0.443 901 A N 0.845 123.685 122.820 0.033 0.000 1.915 901 A HA -0.226 4.093 4.320 -0.001 0.000 0.220 901 A C 2.247 179.848 177.584 0.028 0.000 1.198 901 A CA 2.165 54.219 52.037 0.028 0.000 0.647 901 A CB -0.704 18.314 19.000 0.029 0.000 0.825 901 A HN 0.447 nan 8.150 nan 0.000 0.456 902 L N -1.248 119.996 121.223 0.034 0.000 2.179 902 L HA -0.014 4.325 4.340 -0.001 0.000 0.208 902 L C 2.380 179.270 176.870 0.033 0.000 1.096 902 L CA 0.728 55.589 54.840 0.034 0.000 0.779 902 L CB -0.560 41.524 42.059 0.043 0.000 0.922 902 L HN 0.331 nan 8.230 nan 0.000 0.443 903 I N 0.413 121.000 120.570 0.028 0.000 2.252 903 I HA -0.235 3.934 4.170 -0.001 0.000 0.245 903 I C 2.090 178.216 176.117 0.015 0.000 1.102 903 I CA 1.150 62.461 61.300 0.018 0.000 1.385 903 I CB -0.430 37.570 38.000 0.000 0.000 1.064 903 I HN 0.272 nan 8.210 nan 0.000 0.414 904 D N 1.487 121.895 120.400 0.013 0.000 2.144 904 D HA -0.147 4.492 4.640 -0.001 0.000 0.199 904 D C 2.265 178.578 176.300 0.021 0.000 0.984 904 D CA 1.564 55.570 54.000 0.011 0.000 0.834 904 D CB -0.128 40.678 40.800 0.009 0.000 0.955 904 D HN 0.381 nan 8.370 nan 0.000 0.465 905 A N 1.551 124.387 122.820 0.027 0.000 1.873 905 A HA 0.003 4.322 4.320 -0.001 0.000 0.215 905 A C 2.416 180.032 177.584 0.053 0.000 1.186 905 A CA 2.054 54.111 52.037 0.033 0.000 0.616 905 A CB -0.753 18.263 19.000 0.028 0.000 0.823 905 A HN 0.230 nan 8.150 nan 0.000 0.442 906 A N -0.236 122.621 122.820 0.061 0.000 1.892 906 A HA -0.245 4.075 4.320 -0.001 0.000 0.218 906 A C 2.275 179.922 177.584 0.104 0.000 1.188 906 A CA 2.004 54.104 52.037 0.105 0.000 0.631 906 A CB -0.535 18.519 19.000 0.090 0.000 0.822 906 A HN 0.547 nan 8.150 nan 0.000 0.447 907 R N -0.281 120.248 120.500 0.048 0.000 2.115 907 R HA -0.040 4.299 4.340 -0.001 0.000 0.230 907 R C 1.373 177.690 176.300 0.028 0.000 1.111 907 R CA 1.468 57.579 56.100 0.019 0.000 0.976 907 R CB -0.327 29.971 30.300 -0.003 0.000 0.870 907 R HN 0.703 nan 8.270 nan 0.000 0.445 908 N N -0.265 118.460 118.700 0.040 0.000 2.461 908 N HA -0.049 4.690 4.740 -0.001 0.000 0.188 908 N C 0.462 176.011 175.510 0.066 0.000 1.134 908 N CA -0.034 53.040 53.050 0.039 0.000 0.878 908 N CB 0.418 38.922 38.487 0.029 0.000 0.972 908 N HN 0.197 nan 8.380 nan 0.000 0.456 909 E N 0.519 120.785 120.200 0.110 0.000 2.228 909 E HA 0.135 4.484 4.350 -0.001 0.000 0.197 909 E C 1.849 178.629 176.600 0.301 0.000 0.909 909 E CA 0.162 56.669 56.400 0.178 0.000 0.911 909 E CB -0.460 29.349 29.700 0.182 0.000 0.887 909 E HN 0.188 nan 8.360 nan 0.000 0.481 910 A N 2.040 125.015 122.820 0.258 0.000 1.834 910 A HA -0.248 4.071 4.320 -0.001 0.000 0.216 910 A C 2.052 179.610 177.584 -0.044 0.000 1.203 910 A CA 2.253 54.255 52.037 -0.058 0.000 0.621 910 A CB -1.015 17.784 19.000 -0.335 0.000 0.841 910 A HN 0.240 nan 8.150 nan 0.000 0.446 911 D N -0.828 119.548 120.400 -0.040 0.000 2.170 911 D HA -0.204 4.435 4.640 -0.001 0.000 0.193 911 D C 1.743 178.051 176.300 0.014 0.000 1.004 911 D CA 1.992 55.976 54.000 -0.027 0.000 0.860 911 D CB -0.126 40.664 40.800 -0.017 0.000 0.931 911 D HN 0.473 nan 8.370 nan 0.000 0.448 912 E N 0.336 120.568 120.200 0.053 0.000 1.998 912 E HA -0.127 4.222 4.350 -0.001 0.000 0.196 912 E C 1.835 178.487 176.600 0.087 0.000 1.003 912 E CA 1.024 57.465 56.400 0.068 0.000 0.829 912 E CB -0.286 29.462 29.700 0.080 0.000 0.777 912 E HN 0.058 nan 8.360 nan 0.000 0.460 913 K N 0.279 120.770 120.400 0.152 0.000 2.281 913 K HA -0.144 4.176 4.320 -0.001 0.000 0.203 913 K C 1.731 178.412 176.600 0.135 0.000 1.046 913 K CA 0.780 57.172 56.287 0.176 0.000 0.938 913 K CB -0.081 32.600 32.500 0.302 0.000 0.737 913 K HN 0.053 nan 8.250 nan 0.000 0.458 914 L N 0.084 121.351 121.223 0.072 0.000 2.130 914 L HA 0.030 4.370 4.340 -0.001 0.000 0.200 914 L C 2.330 179.205 176.870 0.007 0.000 1.075 914 L CA 1.148 55.992 54.840 0.007 0.000 0.768 914 L CB -0.926 41.080 42.059 -0.088 0.000 0.933 914 L HN -0.055 nan 8.230 nan 0.000 0.451 915 S N 0.042 115.744 115.700 0.002 0.000 2.407 915 S HA -0.289 4.181 4.470 -0.001 0.000 0.235 915 S C 2.103 176.714 174.600 0.019 0.000 1.036 915 S CA 1.338 59.541 58.200 0.004 0.000 1.013 915 S CB -0.526 62.677 63.200 0.006 0.000 0.820 915 S HN 0.497 nan 8.310 nan 0.000 0.476 916 A N 1.716 124.556 122.820 0.034 0.000 1.841 916 A HA -0.098 4.222 4.320 -0.001 0.000 0.214 916 A C 2.124 179.735 177.584 0.046 0.000 1.195 916 A CA 1.182 53.244 52.037 0.042 0.000 0.611 916 A CB -0.570 18.462 19.000 0.055 0.000 0.835 916 A HN 0.308 nan 8.150 nan 0.000 0.443 917 E N 0.039 120.272 120.200 0.055 0.000 2.026 917 E HA -0.217 4.132 4.350 -0.001 0.000 0.206 917 E C 2.074 178.700 176.600 0.043 0.000 1.028 917 E CA 1.317 57.753 56.400 0.059 0.000 0.845 917 E CB -0.830 28.909 29.700 0.065 0.000 0.772 917 E HN 0.489 nan 8.360 nan 0.000 0.462 918 L N 1.333 122.572 121.223 0.027 0.000 2.089 918 L HA -0.226 4.113 4.340 -0.001 0.000 0.213 918 L C 2.099 178.982 176.870 0.022 0.000 1.079 918 L CA 2.042 56.893 54.840 0.017 0.000 0.758 918 L CB -0.931 41.127 42.059 -0.001 0.000 0.891 918 L HN 0.024 nan 8.230 nan 0.000 0.433 919 S N 0.148 115.862 115.700 0.023 0.000 2.370 919 S HA -0.195 4.274 4.470 -0.001 0.000 0.226 919 S C 1.784 176.402 174.600 0.030 0.000 1.033 919 S CA 1.535 59.749 58.200 0.024 0.000 1.011 919 S CB -0.166 63.049 63.200 0.024 0.000 0.852 919 S HN 0.528 nan 8.310 nan 0.000 0.457 920 R N 0.983 121.505 120.500 0.038 0.000 2.132 920 R HA -0.128 4.211 4.340 -0.001 0.000 0.233 920 R C 2.165 178.491 176.300 0.043 0.000 1.125 920 R CA 1.537 57.663 56.100 0.043 0.000 0.914 920 R CB -0.998 29.334 30.300 0.053 0.000 0.845 920 R HN 0.258 nan 8.270 nan 0.000 0.431 921 L N 1.417 122.667 121.223 0.045 0.000 1.997 921 L HA -0.285 4.054 4.340 -0.001 0.000 0.227 921 L C 2.363 179.256 176.870 0.038 0.000 1.087 921 L CA 2.139 57.006 54.840 0.045 0.000 0.797 921 L CB -1.543 40.541 42.059 0.043 0.000 0.902 921 L HN 0.350 nan 8.230 nan 0.000 0.441 922 E N 0.059 120.277 120.200 0.030 0.000 2.070 922 E HA -0.234 4.115 4.350 -0.001 0.000 0.197 922 E C 2.182 178.799 176.600 0.028 0.000 1.004 922 E CA 1.482 57.898 56.400 0.026 0.000 0.805 922 E CB -0.334 29.378 29.700 0.020 0.000 0.744 922 E HN 0.569 nan 8.360 nan 0.000 0.451 923 A N 0.614 123.452 122.820 0.029 0.000 2.024 923 A HA -0.143 4.176 4.320 -0.001 0.000 0.220 923 A C 1.924 179.528 177.584 0.034 0.000 1.164 923 A CA 1.138 53.193 52.037 0.030 0.000 0.643 923 A CB -0.211 18.807 19.000 0.030 0.000 0.806 923 A HN 0.106 nan 8.150 nan 0.000 0.451 924 L N -1.345 119.901 121.223 0.039 0.000 2.567 924 L HA 0.193 4.533 4.340 -0.001 0.000 0.225 924 L C 2.089 178.985 176.870 0.044 0.000 1.119 924 L CA 0.922 55.789 54.840 0.044 0.000 0.871 924 L CB -0.458 41.632 42.059 0.052 0.000 1.036 924 L HN 0.348 nan 8.230 nan 0.000 0.459 925 R N 0.541 121.064 120.500 0.038 0.000 2.236 925 R HA 0.062 4.401 4.340 -0.001 0.000 0.208 925 R C 2.069 178.390 176.300 0.035 0.000 1.036 925 R CA 1.145 57.266 56.100 0.035 0.000 1.001 925 R CB -0.282 30.035 30.300 0.029 0.000 0.896 925 R HN 0.241 nan 8.270 nan 0.000 0.464 926 A N -0.272 122.569 122.820 0.034 0.000 1.930 926 A HA -0.037 4.282 4.320 -0.001 0.000 0.217 926 A C 2.092 179.699 177.584 0.039 0.000 1.175 926 A CA 1.468 53.525 52.037 0.033 0.000 0.627 926 A CB -0.432 18.586 19.000 0.030 0.000 0.815 926 A HN 0.163 nan 8.150 nan 0.000 0.443 927 V N 0.465 120.406 119.914 0.044 0.000 2.427 927 V HA -0.232 3.888 4.120 -0.001 0.000 0.248 927 V C 0.916 177.045 176.094 0.059 0.000 1.051 927 V CA 1.649 63.980 62.300 0.052 0.000 1.048 927 V CB -1.047 30.810 31.823 0.056 0.000 0.666 927 V HN 0.764 nan 8.190 nan 0.000 0.456 928 N N -2.888 115.845 118.700 0.056 0.000 2.979 928 N HA -0.119 4.620 4.740 -0.001 0.000 0.234 928 N C -1.676 173.876 175.510 0.069 0.000 0.938 928 N CA 1.052 54.137 53.050 0.058 0.000 0.961 928 N CB -2.143 36.380 38.487 0.061 0.000 1.089 928 N HN 0.467 nan 8.380 nan 0.000 0.576 929 P HA -0.052 nan 4.420 nan 0.000 0.335 929 P C 0.037 177.376 177.300 0.065 0.000 1.379 929 P CA -0.115 63.038 63.100 0.089 0.000 0.794 929 P CB 0.275 32.032 31.700 0.096 0.000 1.849 930 N N 0.740 119.479 118.700 0.065 0.000 2.406 930 N HA 0.113 4.852 4.740 -0.001 0.000 0.265 930 N C -0.129 175.397 175.510 0.027 0.000 1.203 930 N CA 0.093 53.162 53.050 0.031 0.000 0.945 930 N CB -0.473 38.042 38.487 0.047 0.000 1.165 930 N HN 0.256 nan 8.380 nan 0.000 0.485 931 I N 0.435 121.011 120.570 0.009 0.000 2.719 931 I HA 0.167 4.336 4.170 -0.001 0.000 0.319 931 I C -0.851 175.269 176.117 0.006 0.000 1.522 931 I CA -1.008 60.305 61.300 0.020 0.000 0.785 931 I CB -0.139 37.882 38.000 0.035 0.000 2.022 931 I HN 0.156 nan 8.210 nan 0.000 0.579 932 R N 0.303 120.793 120.500 -0.017 0.000 2.488 932 R HA 0.067 4.406 4.340 -0.001 0.000 0.317 932 R C 0.827 177.127 176.300 0.001 0.000 0.941 932 R CA 0.340 56.425 56.100 -0.026 0.000 1.076 932 R CB -0.488 29.781 30.300 -0.053 0.000 0.917 932 R HN 0.531 nan 8.270 nan 0.000 0.407 933 D N 1.604 122.005 120.400 0.002 0.000 2.286 933 D HA -0.389 4.250 4.640 -0.001 0.000 0.195 933 D C 1.019 177.334 176.300 0.024 0.000 1.012 933 D CA 1.957 55.964 54.000 0.012 0.000 0.901 933 D CB -0.277 40.526 40.800 0.004 0.000 0.903 933 D HN 0.775 nan 8.370 nan 0.000 0.451 934 D N 0.675 121.090 120.400 0.026 0.000 2.170 934 D HA -0.260 4.379 4.640 -0.001 0.000 0.193 934 D C 1.690 178.057 176.300 0.112 0.000 1.004 934 D CA 1.945 55.978 54.000 0.054 0.000 0.860 934 D CB -0.147 40.679 40.800 0.044 0.000 0.931 934 D HN 0.521 nan 8.370 nan 0.000 0.448 935 E N -0.718 119.557 120.200 0.126 0.000 2.023 935 E HA -0.193 4.156 4.350 -0.001 0.000 0.196 935 E C 2.319 178.974 176.600 0.092 0.000 1.003 935 E CA 1.285 57.802 56.400 0.196 0.000 0.809 935 E CB -0.206 29.570 29.700 0.128 0.000 0.755 935 E HN 0.290 nan 8.360 nan 0.000 0.449 936 L N 0.948 122.200 121.223 0.048 0.000 2.017 936 L HA -0.198 4.141 4.340 -0.001 0.000 0.208 936 L C 2.808 179.670 176.870 -0.013 0.000 1.073 936 L CA 2.084 56.932 54.840 0.013 0.000 0.745 936 L CB -1.397 40.671 42.059 0.015 0.000 0.894 936 L HN 0.299 nan 8.230 nan 0.000 0.432 937 T N -2.332 112.219 114.554 -0.004 0.000 2.699 937 T HA -0.291 4.058 4.350 -0.001 0.000 0.268 937 T C 1.960 176.631 174.700 -0.047 0.000 1.036 937 T CA 1.297 63.387 62.100 -0.017 0.000 1.147 937 T CB -0.828 68.039 68.868 -0.002 0.000 0.862 937 T HN 0.310 nan 8.240 nan 0.000 0.446 938 A N 1.207 123.986 122.820 -0.070 0.000 1.972 938 A HA 0.109 4.428 4.320 -0.001 0.000 0.219 938 A C 2.388 179.852 177.584 -0.200 0.000 1.169 938 A CA 1.389 53.318 52.037 -0.180 0.000 0.635 938 A CB -0.756 17.989 19.000 -0.425 0.000 0.810 938 A HN 0.650 nan 8.150 nan 0.000 0.446 939 I N -1.175 119.307 120.570 -0.148 0.000 2.235 939 I HA -0.166 4.003 4.170 -0.001 0.000 0.241 939 I C 2.414 178.478 176.117 -0.087 0.000 1.085 939 I CA 1.232 62.462 61.300 -0.118 0.000 1.378 939 I CB -0.520 37.436 38.000 -0.073 0.000 1.076 939 I HN 0.227 nan 8.210 nan 0.000 0.415 940 E N 0.797 120.959 120.200 -0.062 0.000 2.095 940 E HA -0.305 4.044 4.350 -0.001 0.000 0.212 940 E C 2.258 178.822 176.600 -0.060 0.000 1.044 940 E CA 2.253 58.623 56.400 -0.050 0.000 0.857 940 E CB -0.392 29.287 29.700 -0.036 0.000 0.764 940 E HN 0.356 nan 8.360 nan 0.000 0.462 941 S N 0.199 115.861 115.700 -0.064 0.000 2.351 941 S HA -0.296 4.173 4.470 -0.001 0.000 0.220 941 S C 1.955 176.507 174.600 -0.080 0.000 1.035 941 S CA 1.738 59.898 58.200 -0.065 0.000 1.031 941 S CB -0.577 62.584 63.200 -0.064 0.000 0.928 941 S HN 0.319 nan 8.310 nan 0.000 0.433 942 N N 1.588 120.227 118.700 -0.102 0.000 2.111 942 N HA -0.234 4.505 4.740 -0.001 0.000 0.197 942 N C 1.825 177.267 175.510 -0.113 0.000 1.011 942 N CA 2.110 55.090 53.050 -0.116 0.000 0.880 942 N CB -0.645 37.758 38.487 -0.141 0.000 1.031 942 N HN 0.592 nan 8.380 nan 0.000 0.444 943 R N 0.249 120.688 120.500 -0.102 0.000 2.126 943 R HA -0.234 4.105 4.340 -0.001 0.000 0.224 943 R C 2.438 178.682 176.300 -0.092 0.000 1.128 943 R CA 2.406 58.445 56.100 -0.102 0.000 0.895 943 R CB -0.556 29.696 30.300 -0.080 0.000 0.817 943 R HN 0.576 nan 8.270 nan 0.000 0.435 944 Q N -0.097 119.659 119.800 -0.072 0.000 2.133 944 Q HA -0.256 4.083 4.340 -0.001 0.000 0.208 944 Q C 1.960 177.920 176.000 -0.066 0.000 0.991 944 Q CA 1.495 57.260 55.803 -0.063 0.000 0.867 944 Q CB -0.460 28.248 28.738 -0.050 0.000 0.911 944 Q HN 0.427 nan 8.270 nan 0.000 0.417 945 Q N 0.573 120.331 119.800 -0.069 0.000 2.268 945 Q HA -0.078 4.261 4.340 -0.001 0.000 0.210 945 Q C 1.039 176.994 176.000 -0.075 0.000 0.988 945 Q CA 0.980 56.742 55.803 -0.068 0.000 0.883 945 Q CB -0.371 28.324 28.738 -0.071 0.000 0.911 945 Q HN 0.295 nan 8.270 nan 0.000 0.430 949 S N 1.686 117.352 115.700 -0.057 0.000 2.469 949 S HA -0.061 4.408 4.470 -0.001 0.000 0.238 949 S C 1.882 176.447 174.600 -0.059 0.000 0.998 949 S CA 0.788 58.954 58.200 -0.056 0.000 0.957 949 S CB -0.205 62.962 63.200 -0.055 0.000 0.764 949 S HN 0.286 nan 8.310 nan 0.000 0.514 950 L N 2.231 123.418 121.223 -0.061 0.000 1.956 950 L HA -0.152 4.187 4.340 -0.001 0.000 0.216 950 L C 1.132 177.969 176.870 -0.056 0.000 1.073 950 L CA 2.510 57.316 54.840 -0.057 0.000 0.762 950 L CB -1.869 40.155 42.059 -0.059 0.000 0.889 950 L HN 0.226 nan 8.230 nan 0.000 0.433 951 D N 0.287 120.653 120.400 -0.056 0.000 2.420 951 D HA -0.128 4.511 4.640 -0.001 0.000 0.233 951 D C 0.809 177.064 176.300 -0.075 0.000 1.017 951 D CA 0.613 54.577 54.000 -0.060 0.000 0.951 951 D CB -0.137 40.631 40.800 -0.053 0.000 0.877 951 D HN 0.586 nan 8.370 nan 0.000 0.528 952 Q N -0.083 119.672 119.800 -0.075 0.000 2.324 952 Q HA 0.456 4.795 4.340 -0.001 0.000 0.373 952 Q C -0.358 175.583 176.000 -0.098 0.000 0.909 952 Q CA -0.424 55.326 55.803 -0.088 0.000 1.135 952 Q CB 1.343 30.038 28.738 -0.072 0.000 1.313 952 Q HN 0.108 nan 8.270 nan 0.000 0.417 953 A N 0.212 122.967 122.820 -0.108 0.000 2.313 953 A HA 0.786 5.105 4.320 -0.001 0.000 0.261 953 A C 0.484 177.963 177.584 -0.176 0.000 1.090 953 A CA 0.274 52.249 52.037 -0.104 0.000 0.807 953 A CB 0.586 19.539 19.000 -0.078 0.000 1.055 953 A HN 0.422 nan 8.150 nan 0.000 0.492 954 G N -1.292 107.428 108.800 -0.134 0.000 2.798 954 G HA2 0.667 4.626 3.960 -0.001 0.000 0.286 954 G HA3 0.667 4.626 3.960 -0.001 0.000 0.286 954 G C -1.238 173.652 174.900 -0.015 0.000 1.389 954 G CA -0.406 44.574 45.100 -0.200 0.000 0.894 954 G HN 1.369 nan 8.290 nan 0.000 0.488 955 W N -0.503 120.811 121.300 0.023 0.000 3.033 955 W HA 0.903 5.563 4.660 -0.001 0.000 0.336 955 W C -0.740 175.849 176.519 0.117 0.000 1.173 955 W CA -2.230 55.142 57.345 0.046 0.000 1.185 955 W CB 1.346 30.767 29.460 -0.064 0.000 1.425 955 W HN 0.651 nan 8.180 nan 0.000 0.536 956 R N 2.833 123.642 120.500 0.516 0.000 2.579 956 R HA 0.422 4.761 4.340 -0.001 0.000 0.260 956 R C -2.291 174.205 176.300 0.326 0.000 1.103 956 R CA -0.696 55.645 56.100 0.402 0.000 0.942 956 R CB 2.141 32.586 30.300 0.242 0.000 1.251 956 R HN 0.830 nan 8.270 nan 0.000 0.450 957 L N 4.534 125.844 121.223 0.144 0.000 2.349 957 L HA 0.411 4.750 4.340 -0.001 0.000 0.275 957 L C -0.141 176.629 176.870 -0.168 0.000 1.115 957 L CA 0.482 55.143 54.840 -0.298 0.000 0.820 957 L CB 0.858 42.699 42.059 -0.363 0.000 1.135 957 L HN 0.745 nan 8.230 nan 0.000 0.445 958 D N 3.998 124.269 120.400 -0.216 0.000 3.279 958 D HA 0.474 5.113 4.640 -0.001 0.000 0.336 958 D C -0.770 175.417 176.300 -0.187 0.000 1.512 958 D CA 0.237 54.144 54.000 -0.155 0.000 0.754 958 D CB 0.062 40.808 40.800 -0.091 0.000 1.278 958 D HN 0.711 nan 8.370 nan 0.000 0.553 959 A N 0.129 122.784 122.820 -0.275 0.000 2.550 959 A HA 0.662 4.981 4.320 -0.001 0.000 0.295 959 A C -2.174 175.135 177.584 -0.459 0.000 1.001 959 A CA -0.842 50.946 52.037 -0.415 0.000 0.660 959 A CB 1.036 19.838 19.000 -0.330 0.000 1.308 959 A HN 0.405 nan 8.150 nan 0.000 0.426 960 L N 0.111 120.934 121.223 -0.667 0.000 3.077 960 L HA 0.610 4.949 4.340 -0.001 0.000 0.254 960 L C -1.278 175.348 176.870 -0.407 0.000 0.959 960 L CA -0.355 54.229 54.840 -0.426 0.000 1.030 960 L CB 1.525 43.430 42.059 -0.257 0.000 1.679 960 L HN 0.977 nan 8.230 nan 0.000 0.468 961 R N 5.404 125.813 120.500 -0.152 0.000 2.680 961 R HA 0.430 4.769 4.340 -0.001 0.000 0.278 961 R C -0.479 175.833 176.300 0.020 0.000 1.582 961 R CA -0.697 55.413 56.100 0.017 0.000 1.177 961 R CB 0.772 31.265 30.300 0.321 0.000 1.232 961 R HN 0.567 nan 8.270 nan 0.000 0.528 962 L N 0.000 121.218 121.223 -0.009 0.000 2.949 962 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 962 L CA 0.000 54.837 54.840 -0.004 0.000 0.813 962 L CB 0.000 42.053 42.059 -0.010 0.000 0.961 962 L HN 0.000 nan 8.230 nan 0.000 0.502