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 3ngi_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKEFYLTVEQ IGDSIFERYI DSNGRERTRE VEYKPSLFAH CPESQATKYF DATA SEQUENCE DIYGKPCTRK LFANMRDASQ WIKRMEDIGL EALGMDDFKL AYLSDTYNYE DATA SEQUENCE IKYDHTKIRV ANFDIEVTSP DGFPEPSQAK HPIDAITHYD SIDDRFYVFD DATA SEQUENCE LLNSPYGNVE EWSIEIAAKL QEQGGDEVPS EIIDKIIYMP FDNEKELLME DATA SEQUENCE YLNFWQQKTP VILTGWNVES FAIPYVYNRI KNIFGESTAK RLSPHRKTRV DATA SEQUENCE KVIENMYGSR EIITLFGISV LDYIDLYKKF SFTNQPSYSL DYISEFELNV DATA SEQUENCE GKLKYDGPIS KLRESNHQRY ISYNIIAVYR VLQIDAKRQF INLSLDMGYY DATA SEQUENCE AKIQIQSVFS PIKTWDAIIF NSLKEQNKVI PQGRSHPVQP YPGAFVKEPI DATA SEQUENCE PNRYKYVMSF DLTSLYPSII RQVNISPETI AGTFKVAPLH DYINAVAERP DATA SEQUENCE SDVYSCSPNG MMYYKDRDGV VPTEITKVFN QRKEHKGYML AAQRNGEIIK DATA SEQUENCE EALHNPNLSV DEPLDVDYRF DFSDEIKEKI KKLSAKSLNE MLFRAQRTEV DATA SEQUENCE AGMTAQINRK LLINSLAGAL GNVWFRYYDL RNATAITTFG QMALQWIERK DATA SEQUENCE VNEYLNEVCG TEGEAFVLYG DTDSIYVSAD KIIDKVGESK FRDTNHWVDF DATA SEQUENCE LDKFARERME PAIDRGFREM CEYMNNKQHL MFMDREAIAG PPLGSKGIGG DATA SEQUENCE FWTGKKRYAL NVWDMEGTRY AEPKLKIMGL ETQKSSTPKA VQKALKECIR DATA SEQUENCE RMLQEGEESL QEYFKEFEKE FRQLNYISIA SVSSANNIAK YDVGGFPGPK DATA SEQUENCE CPFHIRGILT YNRAIKGNID APQVVEGEKV YVLPLREGNP FGDKCIAWPS DATA SEQUENCE GTEITDLIKD DVLHWMDYTV LLEKTFIKPL EGFTSAAKLD YEKKASLFDM DATA SEQUENCE FDF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.357 176.300 0.094 0.000 1.140 1 M CA 0.000 55.344 55.300 0.073 0.000 0.988 1 M CB 0.000 32.658 32.600 0.096 0.000 1.302 2 K N 3.374 123.840 120.400 0.109 0.000 2.350 2 K HA 0.260 4.583 4.320 0.005 0.000 0.279 2 K C -0.474 176.318 176.600 0.319 0.000 1.027 2 K CA 0.046 56.417 56.287 0.140 0.000 0.969 2 K CB 0.739 33.288 32.500 0.082 0.000 0.954 2 K HN 0.674 nan 8.250 nan 0.000 0.474 3 E N 2.448 122.864 120.200 0.361 0.000 2.390 3 E HA 0.206 4.559 4.350 0.005 0.000 0.261 3 E C -0.318 176.679 176.600 0.663 0.000 1.076 3 E CA -0.060 56.605 56.400 0.443 0.000 0.905 3 E CB 0.416 30.369 29.700 0.421 0.000 0.984 3 E HN 0.347 nan 8.360 nan 0.000 0.427 4 F N -0.710 119.434 119.950 0.323 0.000 2.608 4 F HA 0.356 4.886 4.527 0.005 0.000 0.309 4 F C -0.828 174.965 175.800 -0.012 0.000 1.103 4 F CA -1.665 56.295 58.000 -0.066 0.000 0.954 4 F CB 0.316 39.134 39.000 -0.302 0.000 1.267 4 F HN 0.402 nan 8.300 nan 0.000 0.444 5 Y N 1.608 121.804 120.300 -0.173 0.000 2.357 5 Y HA 0.592 5.145 4.550 0.005 0.000 0.340 5 Y C -0.035 176.052 175.900 0.312 0.000 1.260 5 Y CA -0.890 57.287 58.100 0.128 0.000 1.425 5 Y CB 0.453 38.959 38.460 0.077 0.000 1.326 5 Y HN 0.743 nan 8.280 nan 0.000 0.580 6 L N 0.966 122.417 121.223 0.381 0.000 2.453 6 L HA 0.224 4.566 4.340 0.005 0.000 0.190 6 L C 0.644 177.727 176.870 0.354 0.000 1.093 6 L CA 0.768 55.784 54.840 0.294 0.000 0.834 6 L CB 0.100 42.268 42.059 0.181 0.000 1.090 6 L HN 0.916 nan 8.230 nan 0.000 0.489 7 T N -2.643 112.131 114.554 0.367 0.000 2.896 7 T HA 0.666 5.019 4.350 0.005 0.000 0.297 7 T C -1.069 173.808 174.700 0.294 0.000 1.108 7 T CA -0.662 61.620 62.100 0.304 0.000 1.004 7 T CB 2.610 71.614 68.868 0.227 0.000 1.159 7 T HN -0.141 nan 8.240 nan 0.000 0.499 8 V N 0.861 120.888 119.914 0.188 0.000 2.888 8 V HA 0.754 4.877 4.120 0.005 0.000 0.309 8 V C -1.786 174.374 176.094 0.110 0.000 1.114 8 V CA -0.489 61.886 62.300 0.124 0.000 0.940 8 V CB 1.944 33.788 31.823 0.034 0.000 1.021 8 V HN 1.087 nan 8.190 nan 0.000 0.426 9 E N 3.817 124.091 120.200 0.123 0.000 2.383 9 E HA 0.351 4.704 4.350 0.005 0.000 0.275 9 E C -1.552 175.145 176.600 0.161 0.000 0.918 9 E CA -0.630 55.881 56.400 0.184 0.000 0.764 9 E CB 2.535 32.452 29.700 0.362 0.000 1.252 9 E HN 0.747 nan 8.360 nan 0.000 0.449 10 Q N 2.103 122.023 119.800 0.201 0.000 2.290 10 Q HA 0.513 4.856 4.340 0.005 0.000 0.259 10 Q C -0.949 175.184 176.000 0.221 0.000 0.941 10 Q CA -0.366 55.550 55.803 0.188 0.000 0.912 10 Q CB 0.700 29.549 28.738 0.185 0.000 1.244 10 Q HN 0.488 nan 8.270 nan 0.000 0.441 11 I N 4.943 125.627 120.570 0.191 0.000 2.466 11 I HA 0.355 4.528 4.170 0.005 0.000 0.279 11 I C 0.724 176.902 176.117 0.101 0.000 1.033 11 I CA -0.335 61.014 61.300 0.081 0.000 1.123 11 I CB 1.188 39.168 38.000 -0.032 0.000 1.237 11 I HN 1.025 nan 8.210 nan 0.000 0.460 12 G N 5.615 114.448 108.800 0.055 0.000 2.596 12 G HA2 -0.290 3.673 3.960 0.005 0.000 0.304 12 G HA3 -0.290 3.673 3.960 0.005 0.000 0.304 12 G C 0.355 175.286 174.900 0.052 0.000 1.189 12 G CA 0.445 45.573 45.100 0.047 0.000 0.986 12 G HN 0.581 nan 8.290 nan 0.000 0.548 13 D N 1.470 121.887 120.400 0.028 0.000 2.358 13 D HA 0.408 5.051 4.640 0.005 0.000 0.224 13 D C 0.486 176.778 176.300 -0.013 0.000 1.123 13 D CA 0.670 54.669 54.000 -0.001 0.000 0.833 13 D CB 0.485 41.271 40.800 -0.024 0.000 0.946 13 D HN 0.241 nan 8.370 nan 0.000 0.505 14 S N 0.425 116.127 115.700 0.002 0.000 2.501 14 S HA 0.436 4.909 4.470 0.005 0.000 0.301 14 S C -0.110 174.438 174.600 -0.087 0.000 1.096 14 S CA -0.664 57.477 58.200 -0.099 0.000 1.063 14 S CB 1.925 65.004 63.200 -0.201 0.000 1.042 14 S HN 0.001 nan 8.310 nan 0.000 0.494 15 I N 3.018 123.442 120.570 -0.243 0.000 2.331 15 I HA 0.337 4.510 4.170 0.005 0.000 0.292 15 I C -0.883 174.971 176.117 -0.438 0.000 0.998 15 I CA -0.355 60.748 61.300 -0.328 0.000 1.267 15 I CB 0.437 38.010 38.000 -0.711 0.000 1.386 15 I HN 0.536 nan 8.210 nan 0.000 0.476 16 F N 4.948 124.732 119.950 -0.278 0.000 2.388 16 F HA 0.346 4.875 4.527 0.005 0.000 0.358 16 F C 0.675 176.373 175.800 -0.170 0.000 1.122 16 F CA -0.416 57.384 58.000 -0.333 0.000 1.056 16 F CB 1.110 39.650 39.000 -0.767 0.000 1.155 16 F HN 0.416 nan 8.300 nan 0.000 0.461 17 E N 4.654 124.911 120.200 0.096 0.000 2.199 17 E HA 0.434 4.787 4.350 0.005 0.000 0.265 17 E C -0.939 175.906 176.600 0.408 0.000 0.882 17 E CA -0.905 55.644 56.400 0.250 0.000 0.759 17 E CB 1.185 31.028 29.700 0.239 0.000 1.148 17 E HN 0.605 nan 8.360 nan 0.000 0.412 18 R N 3.120 123.871 120.500 0.419 0.000 2.368 18 R HA 0.397 4.740 4.340 0.005 0.000 0.302 18 R C -0.956 175.589 176.300 0.408 0.000 1.002 18 R CA -0.511 55.801 56.100 0.354 0.000 0.929 18 R CB 0.883 31.325 30.300 0.236 0.000 1.073 18 R HN 0.451 nan 8.270 nan 0.000 0.464 19 Y N -0.575 119.796 120.300 0.118 0.000 2.670 19 Y HA 0.526 5.079 4.550 0.005 0.000 0.334 19 Y C -1.304 174.532 175.900 -0.107 0.000 1.185 19 Y CA -1.627 56.503 58.100 0.050 0.000 1.053 19 Y CB 1.079 39.653 38.460 0.191 0.000 1.298 19 Y HN 0.202 nan 8.280 nan 0.000 0.459 20 I N 3.837 124.220 120.570 -0.312 0.000 2.312 20 I HA 0.184 4.357 4.170 0.005 0.000 0.290 20 I C -0.301 175.724 176.117 -0.154 0.000 1.008 20 I CA -0.472 60.556 61.300 -0.453 0.000 1.226 20 I CB 0.646 38.123 38.000 -0.872 0.000 1.371 20 I HN 0.852 nan 8.210 nan 0.000 0.468 21 D N 4.229 124.551 120.400 -0.129 0.000 2.414 21 D HA 0.030 4.673 4.640 0.005 0.000 0.259 21 D C 1.112 177.464 176.300 0.087 0.000 1.269 21 D CA -0.397 53.666 54.000 0.106 0.000 1.028 21 D CB 0.410 41.252 40.800 0.069 0.000 1.093 21 D HN 0.442 nan 8.370 nan 0.000 0.545 22 S N -1.112 114.657 115.700 0.115 0.000 2.507 22 S HA -0.124 4.349 4.470 0.005 0.000 0.235 22 S C 0.908 175.542 174.600 0.056 0.000 0.988 22 S CA 0.274 58.528 58.200 0.089 0.000 0.944 22 S CB -0.494 62.751 63.200 0.077 0.000 0.762 22 S HN 0.473 nan 8.310 nan 0.000 0.526 23 N N 1.023 119.745 118.700 0.037 0.000 2.236 23 N HA 0.214 4.957 4.740 0.005 0.000 0.196 23 N C 1.154 176.669 175.510 0.010 0.000 1.114 23 N CA 0.734 53.795 53.050 0.019 0.000 0.859 23 N CB 0.689 39.182 38.487 0.010 0.000 0.982 23 N HN 0.642 nan 8.380 nan 0.000 0.493 24 G N 1.186 109.990 108.800 0.007 0.000 2.141 24 G HA2 -0.279 3.684 3.960 0.005 0.000 0.242 24 G HA3 -0.279 3.684 3.960 0.005 0.000 0.242 24 G C 0.066 174.938 174.900 -0.046 0.000 0.982 24 G CA -0.228 44.872 45.100 -0.001 0.000 0.662 24 G HN 0.281 nan 8.290 nan 0.000 0.527 25 R N 0.294 120.747 120.500 -0.079 0.000 2.540 25 R HA 0.564 4.907 4.340 0.005 0.000 0.287 25 R C 0.200 176.384 176.300 -0.193 0.000 0.980 25 R CA -0.660 55.374 56.100 -0.109 0.000 0.966 25 R CB 1.249 31.495 30.300 -0.090 0.000 1.106 25 R HN 0.348 nan 8.270 nan 0.000 0.480 26 E N 2.818 122.910 120.200 -0.179 0.000 2.290 26 E HA 0.083 4.436 4.350 0.005 0.000 0.277 26 E C -0.558 175.882 176.600 -0.266 0.000 1.035 26 E CA -0.206 56.059 56.400 -0.226 0.000 0.873 26 E CB 0.582 30.194 29.700 -0.147 0.000 1.029 26 E HN 0.260 nan 8.360 nan 0.000 0.419 27 R N 2.518 122.755 120.500 -0.438 0.000 2.867 27 R HA 0.489 4.832 4.340 0.005 0.000 0.268 27 R C -0.987 175.192 176.300 -0.202 0.000 1.014 27 R CA -0.834 55.025 56.100 -0.401 0.000 0.946 27 R CB 2.293 32.176 30.300 -0.696 0.000 1.208 27 R HN 0.502 nan 8.270 nan 0.000 0.477 28 T N 1.880 116.451 114.554 0.028 0.000 2.876 28 T HA 0.558 4.911 4.350 0.005 0.000 0.289 28 T C -0.546 174.307 174.700 0.256 0.000 1.014 28 T CA -0.975 61.255 62.100 0.216 0.000 0.986 28 T CB 2.018 71.030 68.868 0.240 0.000 1.021 28 T HN 0.613 nan 8.240 nan 0.000 0.458 29 R N 0.968 121.635 120.500 0.278 0.000 2.698 29 R HA 0.676 5.019 4.340 0.005 0.000 0.275 29 R C -1.379 174.873 176.300 -0.079 0.000 1.001 29 R CA -1.027 55.153 56.100 0.134 0.000 0.896 29 R CB 2.096 32.500 30.300 0.174 0.000 1.218 29 R HN 0.604 nan 8.270 nan 0.000 0.462 30 E N 2.385 122.446 120.200 -0.232 0.000 2.133 30 E HA 0.375 4.728 4.350 0.005 0.000 0.274 30 E C -1.337 175.060 176.600 -0.338 0.000 0.930 30 E CA -0.919 55.133 56.400 -0.581 0.000 0.770 30 E CB 1.922 31.179 29.700 -0.739 0.000 1.104 30 E HN 0.429 nan 8.360 nan 0.000 0.403 31 V N 4.463 124.172 119.914 -0.341 0.000 2.487 31 V HA 0.185 4.308 4.120 0.005 0.000 0.298 31 V C -0.301 175.718 176.094 -0.125 0.000 1.028 31 V CA -0.800 61.407 62.300 -0.156 0.000 0.860 31 V CB 1.700 33.497 31.823 -0.044 0.000 0.991 31 V HN 0.757 nan 8.190 nan 0.000 0.427 32 E N 3.651 123.814 120.200 -0.062 0.000 1.972 32 E HA 0.107 4.460 4.350 0.005 0.000 0.292 32 E C -0.802 175.811 176.600 0.021 0.000 1.193 32 E CA -0.279 56.097 56.400 -0.040 0.000 1.228 32 E CB 0.106 29.775 29.700 -0.052 0.000 1.167 32 E HN 0.609 nan 8.360 nan 0.000 0.479 33 Y N 2.486 122.739 120.300 -0.079 0.000 2.544 33 Y HA -0.043 4.510 4.550 0.005 0.000 0.330 33 Y C -0.020 175.842 175.900 -0.062 0.000 1.136 33 Y CA -0.144 57.944 58.100 -0.020 0.000 1.417 33 Y CB 0.419 38.896 38.460 0.028 0.000 1.229 33 Y HN 0.029 nan 8.280 nan 0.000 0.532 34 K N 9.491 129.555 120.400 -0.559 0.000 2.292 34 K HA 0.287 4.609 4.320 0.005 0.000 0.270 34 K C -2.597 173.521 176.600 -0.805 0.000 1.062 34 K CA -1.751 54.222 56.287 -0.524 0.000 0.916 34 K CB 0.871 33.190 32.500 -0.302 0.000 1.166 34 K HN 0.489 nan 8.250 nan 0.000 0.458 35 P HA 0.147 nan 4.420 nan 0.000 0.276 35 P C -0.651 176.532 177.300 -0.195 0.000 1.244 35 P CA -0.516 62.293 63.100 -0.486 0.000 0.801 35 P CB 1.121 32.513 31.700 -0.515 0.000 1.006 36 S N 0.658 116.297 115.700 -0.100 0.000 2.503 36 S HA 0.639 5.111 4.470 0.005 0.000 0.301 36 S C 0.001 174.534 174.600 -0.112 0.000 1.087 36 S CA -0.530 57.541 58.200 -0.217 0.000 1.042 36 S CB 0.586 63.550 63.200 -0.393 0.000 1.043 36 S HN 0.297 nan 8.310 nan 0.000 0.489 37 L N 1.397 122.486 121.223 -0.223 0.000 2.183 37 L HA 0.755 5.098 4.340 0.005 0.000 0.253 37 L C -1.485 175.050 176.870 -0.558 0.000 1.048 37 L CA -0.907 53.889 54.840 -0.073 0.000 0.890 37 L CB 1.183 43.432 42.059 0.317 0.000 1.476 37 L HN 0.531 nan 8.230 nan 0.000 0.455 38 F N -0.164 119.818 119.950 0.052 0.000 2.588 38 F HA 0.775 5.305 4.527 0.005 0.000 0.310 38 F C -0.062 175.834 175.800 0.161 0.000 1.082 38 F CA -0.644 57.355 58.000 -0.002 0.000 0.929 38 F CB 2.080 41.052 39.000 -0.047 0.000 1.254 38 F HN 0.353 nan 8.300 nan 0.000 0.455 39 A N 0.727 123.710 122.820 0.271 0.000 2.435 39 A HA 0.674 4.996 4.320 0.005 0.000 0.304 39 A C -1.342 176.327 177.584 0.141 0.000 1.064 39 A CA -0.715 51.470 52.037 0.246 0.000 0.727 39 A CB 0.536 19.744 19.000 0.347 0.000 1.284 39 A HN 0.899 nan 8.150 nan 0.000 0.415 40 H N -0.508 118.675 119.070 0.188 0.000 2.871 40 H HA 0.337 4.895 4.556 0.005 0.000 0.355 40 H C 0.592 175.987 175.328 0.112 0.000 1.092 40 H CA 1.377 57.508 56.048 0.139 0.000 1.420 40 H CB 0.478 30.312 29.762 0.119 0.000 1.400 40 H HN 0.929 nan 8.280 nan 0.000 0.604 41 C N 2.018 121.455 119.300 0.228 0.000 3.080 41 C HA 0.616 5.079 4.460 0.005 0.000 0.307 41 C C -2.615 172.439 174.990 0.107 0.000 1.311 41 C CA -2.392 56.708 59.018 0.135 0.000 1.533 41 C CB 1.209 29.005 27.740 0.093 0.000 1.970 41 C HN 0.542 nan 8.230 nan 0.000 0.467 42 P HA 0.202 nan 4.420 nan 0.000 0.269 42 P C 0.733 178.073 177.300 0.066 0.000 1.215 42 P CA 0.063 63.201 63.100 0.064 0.000 0.780 42 P CB 0.485 32.214 31.700 0.049 0.000 0.898 43 E N 0.467 120.708 120.200 0.069 0.000 2.204 43 E HA -0.184 4.168 4.350 0.005 0.000 0.195 43 E C 1.243 177.885 176.600 0.070 0.000 0.990 43 E CA 1.532 57.982 56.400 0.084 0.000 0.821 43 E CB -0.565 29.184 29.700 0.081 0.000 0.750 43 E HN 0.428 nan 8.360 nan 0.000 0.477 44 S N 0.005 115.736 115.700 0.052 0.000 2.481 44 S HA -0.174 4.299 4.470 0.005 0.000 0.231 44 S C 1.117 175.740 174.600 0.038 0.000 0.996 44 S CA 0.213 58.438 58.200 0.042 0.000 0.942 44 S CB -0.199 63.021 63.200 0.033 0.000 0.768 44 S HN 0.323 nan 8.310 nan 0.000 0.520 45 Q N 1.435 121.258 119.800 0.038 0.000 2.288 45 Q HA 0.580 4.923 4.340 0.005 0.000 0.258 45 Q C -0.493 175.521 176.000 0.022 0.000 0.957 45 Q CA -0.478 55.341 55.803 0.027 0.000 0.919 45 Q CB 0.969 29.723 28.738 0.027 0.000 1.185 45 Q HN 0.494 nan 8.270 nan 0.000 0.408 46 A N 3.639 126.469 122.820 0.016 0.000 2.409 46 A HA 0.463 4.786 4.320 0.005 0.000 0.267 46 A C -0.147 177.427 177.584 -0.016 0.000 1.127 46 A CA 0.158 52.202 52.037 0.012 0.000 0.795 46 A CB 0.917 19.925 19.000 0.013 0.000 1.061 46 A HN 0.703 nan 8.150 nan 0.000 0.502 47 T N 0.385 114.906 114.554 -0.054 0.000 2.821 47 T HA 0.461 4.814 4.350 0.005 0.000 0.306 47 T C 0.424 175.005 174.700 -0.198 0.000 1.313 47 T CA -0.103 61.920 62.100 -0.128 0.000 1.012 47 T CB 1.149 69.923 68.868 -0.157 0.000 1.298 47 T HN 0.748 nan 8.240 nan 0.000 0.502 48 K N 1.041 121.251 120.400 -0.316 0.000 2.358 48 K HA 0.233 4.556 4.320 0.005 0.000 0.200 48 K C -0.686 175.691 176.600 -0.371 0.000 1.030 48 K CA -0.204 55.908 56.287 -0.292 0.000 1.097 48 K CB 0.176 32.462 32.500 -0.356 0.000 0.862 48 K HN 0.498 nan 8.250 nan 0.000 0.534 49 Y N 0.859 121.035 120.300 -0.207 0.000 2.328 49 Y HA 0.427 4.980 4.550 0.005 0.000 0.337 49 Y C -0.535 175.079 175.900 -0.476 0.000 1.008 49 Y CA -1.205 56.790 58.100 -0.175 0.000 1.129 49 Y CB 0.780 39.233 38.460 -0.013 0.000 1.185 49 Y HN -0.164 nan 8.280 nan 0.000 0.476 50 F N 1.727 121.757 119.950 0.133 0.000 2.565 50 F HA 0.271 4.801 4.527 0.005 0.000 0.313 50 F C -0.060 175.775 175.800 0.059 0.000 1.091 50 F CA -1.418 56.644 58.000 0.103 0.000 0.915 50 F CB 1.419 40.464 39.000 0.075 0.000 1.208 50 F HN 0.516 nan 8.300 nan 0.000 0.453 51 D N 1.602 122.167 120.400 0.274 0.000 2.393 51 D HA 0.035 4.678 4.640 0.005 0.000 0.246 51 D C 1.318 177.686 176.300 0.114 0.000 1.275 51 D CA -0.259 53.850 54.000 0.181 0.000 0.979 51 D CB 0.429 41.407 40.800 0.297 0.000 1.101 51 D HN 0.628 nan 8.370 nan 0.000 0.505 52 I N -3.264 117.268 120.570 -0.064 0.000 2.756 52 I HA -0.133 4.040 4.170 0.005 0.000 0.262 52 I C 0.867 176.810 176.117 -0.291 0.000 1.225 52 I CA 0.727 61.885 61.300 -0.236 0.000 1.472 52 I CB -0.616 37.166 38.000 -0.363 0.000 1.094 52 I HN 0.228 nan 8.210 nan 0.000 0.454 53 Y N 1.831 122.215 120.300 0.140 0.000 2.457 53 Y HA 0.431 4.984 4.550 0.005 0.000 0.263 53 Y C 1.946 177.908 175.900 0.103 0.000 1.164 53 Y CA 0.264 58.436 58.100 0.120 0.000 1.274 53 Y CB 0.529 39.057 38.460 0.114 0.000 1.097 53 Y HN 0.348 nan 8.280 nan 0.000 0.523 54 G N 0.017 108.954 108.800 0.228 0.000 2.157 54 G HA2 -0.223 3.740 3.960 0.005 0.000 0.239 54 G HA3 -0.223 3.740 3.960 0.005 0.000 0.239 54 G C -0.069 175.027 174.900 0.326 0.000 0.982 54 G CA -0.520 44.682 45.100 0.171 0.000 0.650 54 G HN 0.034 nan 8.290 nan 0.000 0.527 55 K N 1.530 122.153 120.400 0.372 0.000 2.276 55 K HA 0.417 4.740 4.320 0.005 0.000 0.283 55 K C -2.173 174.688 176.600 0.436 0.000 1.044 55 K CA -2.169 54.330 56.287 0.353 0.000 0.944 55 K CB 1.385 34.012 32.500 0.212 0.000 1.012 55 K HN 0.225 nan 8.250 nan 0.000 0.472 56 P HA 0.142 nan 4.420 nan 0.000 0.271 56 P C -0.476 176.872 177.300 0.080 0.000 1.218 56 P CA -0.366 62.724 63.100 -0.016 0.000 0.780 56 P CB 0.682 32.367 31.700 -0.025 0.000 0.901 57 C N 1.456 120.744 119.300 -0.021 0.000 2.712 57 C HA 0.602 5.065 4.460 0.005 0.000 0.308 57 C C 0.254 175.340 174.990 0.160 0.000 1.201 57 C CA -0.191 58.901 59.018 0.123 0.000 1.554 57 C CB 1.909 29.735 27.740 0.144 0.000 2.117 57 C HN 0.622 nan 8.230 nan 0.000 0.480 58 T N 0.142 114.789 114.554 0.155 0.000 2.829 58 T HA 0.536 4.889 4.350 0.005 0.000 0.282 58 T C -0.445 174.242 174.700 -0.022 0.000 0.990 58 T CA -0.610 61.545 62.100 0.091 0.000 1.028 58 T CB 0.984 69.864 68.868 0.021 0.000 0.951 58 T HN 0.732 nan 8.240 nan 0.000 0.460 59 R N 1.732 122.124 120.500 -0.179 0.000 2.308 59 R HA 0.308 4.651 4.340 0.005 0.000 0.305 59 R C -0.493 175.431 176.300 -0.626 0.000 1.053 59 R CA -0.485 55.189 56.100 -0.710 0.000 0.957 59 R CB 0.445 30.289 30.300 -0.761 0.000 1.022 59 R HN 0.610 nan 8.270 nan 0.000 0.461 60 K N 5.268 125.163 120.400 -0.841 0.000 2.367 60 K HA 0.248 4.571 4.320 0.005 0.000 0.263 60 K C -0.858 175.081 176.600 -1.102 0.000 1.000 60 K CA -0.637 55.073 56.287 -0.960 0.000 0.891 60 K CB 1.463 33.231 32.500 -1.220 0.000 1.117 60 K HN 0.369 nan 8.250 nan 0.000 0.443 61 L N 5.275 125.976 121.223 -0.870 0.000 2.276 61 L HA 0.437 4.780 4.340 0.005 0.000 0.286 61 L C -1.148 175.265 176.870 -0.761 0.000 1.061 61 L CA -0.216 54.223 54.840 -0.668 0.000 0.807 61 L CB 0.128 41.940 42.059 -0.412 0.000 1.177 61 L HN 0.496 nan 8.230 nan 0.000 0.429 62 F N 2.786 122.527 119.950 -0.348 0.000 2.432 62 F HA 0.417 4.947 4.527 0.005 0.000 0.329 62 F C 1.343 176.990 175.800 -0.256 0.000 1.076 62 F CA -0.405 57.415 58.000 -0.300 0.000 1.018 62 F CB 1.580 40.392 39.000 -0.313 0.000 1.201 62 F HN 0.633 nan 8.300 nan 0.000 0.489 63 A N 1.972 124.787 122.820 -0.007 0.000 2.015 63 A HA -0.024 4.299 4.320 0.005 0.000 0.219 63 A C 0.214 177.754 177.584 -0.074 0.000 1.163 63 A CA 1.730 53.733 52.037 -0.057 0.000 0.646 63 A CB -0.981 17.995 19.000 -0.039 0.000 0.806 63 A HN 0.902 nan 8.150 nan 0.000 0.448 64 N N -4.714 113.942 118.700 -0.073 0.000 3.116 64 N HA 0.374 5.116 4.740 0.005 0.000 0.244 64 N C -0.026 175.355 175.510 -0.215 0.000 1.485 64 N CA -0.522 52.453 53.050 -0.125 0.000 0.884 64 N CB 0.217 38.655 38.487 -0.081 0.000 1.415 64 N HN -0.095 nan 8.380 nan 0.000 0.524 65 M N -0.490 118.957 119.600 -0.256 0.000 2.229 65 M HA 0.011 4.494 4.480 0.005 0.000 0.264 65 M C 2.115 178.275 176.300 -0.233 0.000 1.063 65 M CA 1.286 56.326 55.300 -0.432 0.000 1.114 65 M CB -0.244 32.185 32.600 -0.286 0.000 1.387 65 M HN 0.694 nan 8.290 nan 0.000 0.420 66 R N 0.862 121.301 120.500 -0.101 0.000 2.091 66 R HA -0.183 4.160 4.340 0.005 0.000 0.238 66 R C 1.423 177.674 176.300 -0.081 0.000 1.136 66 R CA 2.116 58.192 56.100 -0.041 0.000 0.959 66 R CB -0.192 30.097 30.300 -0.018 0.000 0.856 66 R HN 0.222 nan 8.270 nan 0.000 0.437 67 D N 0.356 120.684 120.400 -0.120 0.000 2.123 67 D HA -0.141 4.501 4.640 0.005 0.000 0.196 67 D C 1.764 177.827 176.300 -0.396 0.000 0.992 67 D CA 1.655 55.578 54.000 -0.127 0.000 0.833 67 D CB -0.318 40.475 40.800 -0.012 0.000 0.954 67 D HN 0.447 nan 8.370 nan 0.000 0.455 68 A N 0.725 123.119 122.820 -0.710 0.000 1.877 68 A HA -0.180 4.142 4.320 0.005 0.000 0.216 68 A C 2.340 179.769 177.584 -0.259 0.000 1.186 68 A CA 2.519 53.893 52.037 -1.104 0.000 0.620 68 A CB -0.753 17.703 19.000 -0.907 0.000 0.822 68 A HN 0.339 nan 8.150 nan 0.000 0.443 69 S N -1.004 114.700 115.700 0.007 0.000 2.383 69 S HA -0.190 4.283 4.470 0.005 0.000 0.227 69 S C 1.891 176.511 174.600 0.033 0.000 1.026 69 S CA 1.289 59.556 58.200 0.110 0.000 0.981 69 S CB -0.396 62.897 63.200 0.155 0.000 0.818 69 S HN 0.524 nan 8.310 nan 0.000 0.472 70 Q N 0.146 119.949 119.800 0.004 0.000 2.119 70 Q HA -0.046 4.296 4.340 0.005 0.000 0.201 70 Q C 1.686 177.718 176.000 0.054 0.000 0.972 70 Q CA 1.333 57.148 55.803 0.020 0.000 0.847 70 Q CB -0.638 28.113 28.738 0.023 0.000 0.903 70 Q HN 0.866 nan 8.270 nan 0.000 0.433 71 W N 1.381 122.600 121.300 -0.135 0.000 2.358 71 W HA -0.141 4.521 4.660 0.005 0.000 0.303 71 W C 1.807 178.307 176.519 -0.032 0.000 1.208 71 W CA 1.184 58.490 57.345 -0.064 0.000 1.274 71 W CB -0.371 29.045 29.460 -0.072 0.000 1.138 71 W HN 0.044 nan 8.180 nan 0.000 0.515 72 I N 0.898 121.462 120.570 -0.010 0.000 2.163 72 I HA -0.395 3.778 4.170 0.005 0.000 0.243 72 I C 2.509 178.501 176.117 -0.208 0.000 1.085 72 I CA 1.797 63.000 61.300 -0.161 0.000 1.347 72 I CB -0.638 37.360 38.000 -0.002 0.000 1.044 72 I HN -0.055 nan 8.210 nan 0.000 0.408 73 K N 0.381 120.710 120.400 -0.118 0.000 2.057 73 K HA -0.155 4.168 4.320 0.005 0.000 0.207 73 K C 2.279 178.798 176.600 -0.134 0.000 1.049 73 K CA 1.285 57.511 56.287 -0.101 0.000 0.931 73 K CB -0.198 32.270 32.500 -0.052 0.000 0.714 73 K HN 0.321 nan 8.250 nan 0.000 0.440 74 R N 0.082 120.488 120.500 -0.157 0.000 2.092 74 R HA -0.004 4.339 4.340 0.005 0.000 0.231 74 R C 2.343 178.498 176.300 -0.242 0.000 1.119 74 R CA 1.007 57.011 56.100 -0.159 0.000 0.970 74 R CB -0.121 30.114 30.300 -0.107 0.000 0.864 74 R HN 0.164 nan 8.270 nan 0.000 0.440 75 M N 0.450 119.793 119.600 -0.428 0.000 2.159 75 M HA -0.158 4.324 4.480 0.005 0.000 0.263 75 M C 2.057 178.204 176.300 -0.255 0.000 1.063 75 M CA 1.479 56.508 55.300 -0.451 0.000 1.110 75 M CB -0.722 31.412 32.600 -0.776 0.000 1.374 75 M HN 0.207 nan 8.290 nan 0.000 0.411 76 E N 0.396 120.469 120.200 -0.213 0.000 2.077 76 E HA -0.218 4.135 4.350 0.005 0.000 0.193 76 E C 1.380 177.917 176.600 -0.106 0.000 0.989 76 E CA 1.281 57.599 56.400 -0.137 0.000 0.800 76 E CB 0.157 29.788 29.700 -0.114 0.000 0.746 76 E HN 0.372 nan 8.360 nan 0.000 0.452 77 D N 0.440 120.778 120.400 -0.104 0.000 2.123 77 D HA -0.175 4.468 4.640 0.005 0.000 0.196 77 D C 2.007 178.266 176.300 -0.067 0.000 0.992 77 D CA 1.098 55.053 54.000 -0.075 0.000 0.833 77 D CB -0.174 40.587 40.800 -0.066 0.000 0.954 77 D HN 0.339 nan 8.370 nan 0.000 0.455 78 I N -0.370 120.150 120.570 -0.083 0.000 2.353 78 I HA -0.024 4.149 4.170 0.005 0.000 0.248 78 I C 1.415 177.499 176.117 -0.055 0.000 1.119 78 I CA 0.984 62.247 61.300 -0.063 0.000 1.417 78 I CB -0.065 37.895 38.000 -0.067 0.000 1.078 78 I HN 0.112 nan 8.210 nan 0.000 0.421 79 G N 1.565 110.323 108.800 -0.070 0.000 2.226 79 G HA2 -0.154 3.809 3.960 0.005 0.000 0.176 79 G HA3 -0.154 3.809 3.960 0.005 0.000 0.176 79 G C -0.340 174.533 174.900 -0.044 0.000 1.042 79 G CA -0.576 44.491 45.100 -0.055 0.000 0.732 79 G HN 0.181 nan 8.290 nan 0.000 0.494 80 L N -0.199 120.985 121.223 -0.065 0.000 2.381 80 L HA 0.556 4.899 4.340 0.005 0.000 0.268 80 L C 0.557 177.392 176.870 -0.058 0.000 0.997 80 L CA -1.035 53.785 54.840 -0.034 0.000 0.818 80 L CB 2.105 44.151 42.059 -0.020 0.000 1.310 80 L HN 0.282 nan 8.230 nan 0.000 0.416 81 E N 1.810 122.017 120.200 0.012 0.000 2.417 81 E HA 0.254 4.607 4.350 0.005 0.000 0.261 81 E C -0.569 176.018 176.600 -0.021 0.000 1.000 81 E CA -0.284 56.122 56.400 0.008 0.000 0.919 81 E CB 0.980 30.731 29.700 0.086 0.000 0.955 81 E HN 0.608 nan 8.360 nan 0.000 0.455 82 A N 5.901 128.689 122.820 -0.053 0.000 2.341 82 A HA 0.363 4.685 4.320 0.005 0.000 0.326 82 A C -0.819 176.862 177.584 0.162 0.000 1.402 82 A CA -0.633 51.417 52.037 0.022 0.000 0.957 82 A CB 0.156 19.052 19.000 -0.174 0.000 1.151 82 A HN 0.529 nan 8.150 nan 0.000 0.533 83 L N 2.013 123.378 121.223 0.236 0.000 2.421 83 L HA 0.826 5.169 4.340 0.005 0.000 0.263 83 L C 1.014 178.073 176.870 0.315 0.000 1.122 83 L CA 1.087 56.040 54.840 0.188 0.000 0.804 83 L CB 0.909 43.021 42.059 0.088 0.000 1.150 83 L HN 1.189 nan 8.230 nan 0.000 0.457 84 G N 1.286 110.215 108.800 0.216 0.000 2.479 84 G HA2 0.016 3.979 3.960 0.005 0.000 0.686 84 G HA3 0.016 3.979 3.960 0.005 0.000 0.686 84 G C -1.010 173.946 174.900 0.093 0.000 1.295 84 G CA -0.702 44.559 45.100 0.269 0.000 0.922 84 G HN 0.578 nan 8.290 nan 0.000 0.582 85 M N 2.222 121.812 119.600 -0.018 0.000 2.266 85 M HA 0.319 4.802 4.480 0.005 0.000 0.340 85 M C 1.496 177.702 176.300 -0.156 0.000 1.486 85 M CA -0.291 54.842 55.300 -0.278 0.000 1.209 85 M CB 0.267 32.360 32.600 -0.844 0.000 1.714 85 M HN 0.596 nan 8.290 nan 0.000 0.459 86 D N 1.645 121.907 120.400 -0.230 0.000 2.347 86 D HA -0.061 4.582 4.640 0.005 0.000 0.213 86 D C -0.333 175.511 176.300 -0.760 0.000 0.985 86 D CA 0.248 53.996 54.000 -0.420 0.000 0.879 86 D CB -0.228 40.426 40.800 -0.245 0.000 0.919 86 D HN 0.534 nan 8.370 nan 0.000 0.526 87 D N 0.043 120.165 120.400 -0.463 0.000 2.422 87 D HA 0.036 4.679 4.640 0.005 0.000 0.227 87 D C 0.400 176.559 176.300 -0.234 0.000 1.190 87 D CA -0.628 53.151 54.000 -0.368 0.000 0.905 87 D CB -0.009 40.677 40.800 -0.190 0.000 1.034 87 D HN -0.145 nan 8.370 nan 0.000 0.507 88 F N 2.670 122.643 119.950 0.038 0.000 2.269 88 F HA -0.121 4.409 4.527 0.005 0.000 0.301 88 F C 2.390 178.232 175.800 0.069 0.000 1.082 88 F CA 0.779 58.850 58.000 0.119 0.000 1.360 88 F CB -0.477 38.634 39.000 0.185 0.000 1.041 88 F HN 0.452 nan 8.300 nan 0.000 0.512 89 K N 0.672 121.166 120.400 0.156 0.000 2.211 89 K HA -0.087 4.236 4.320 0.005 0.000 0.203 89 K C 1.830 178.473 176.600 0.071 0.000 1.050 89 K CA 1.324 57.652 56.287 0.068 0.000 0.945 89 K CB -0.720 31.794 32.500 0.024 0.000 0.732 89 K HN 0.318 nan 8.250 nan 0.000 0.451 90 L N 1.108 122.362 121.223 0.051 0.000 2.093 90 L HA -0.080 4.263 4.340 0.005 0.000 0.208 90 L C 2.847 179.843 176.870 0.211 0.000 1.085 90 L CA 1.089 55.978 54.840 0.082 0.000 0.755 90 L CB -0.605 41.470 42.059 0.028 0.000 0.904 90 L HN 0.324 nan 8.230 nan 0.000 0.435 91 A N -0.547 122.385 122.820 0.187 0.000 1.930 91 A HA -0.279 4.044 4.320 0.005 0.000 0.217 91 A C 2.192 179.908 177.584 0.219 0.000 1.175 91 A CA 1.397 53.650 52.037 0.359 0.000 0.627 91 A CB -0.841 18.415 19.000 0.426 0.000 0.815 91 A HN 0.478 nan 8.150 nan 0.000 0.443 92 Y N 0.556 120.720 120.300 -0.228 0.000 2.128 92 Y HA -0.192 4.361 4.550 0.005 0.000 0.284 92 Y C 1.956 177.740 175.900 -0.193 0.000 1.154 92 Y CA 1.975 59.715 58.100 -0.600 0.000 1.149 92 Y CB -0.258 37.726 38.460 -0.793 0.000 0.976 92 Y HN 0.212 nan 8.280 nan 0.000 0.505 93 L N -0.909 120.286 121.223 -0.046 0.000 2.083 93 L HA -0.234 4.109 4.340 0.005 0.000 0.209 93 L C 2.811 179.689 176.870 0.014 0.000 1.083 93 L CA 1.602 56.427 54.840 -0.024 0.000 0.752 93 L CB -0.815 41.195 42.059 -0.082 0.000 0.899 93 L HN 0.242 nan 8.230 nan 0.000 0.433 94 S N -0.436 115.303 115.700 0.065 0.000 2.368 94 S HA -0.190 4.283 4.470 0.005 0.000 0.225 94 S C 1.596 176.187 174.600 -0.016 0.000 1.030 94 S CA 1.504 59.733 58.200 0.048 0.000 0.999 94 S CB -0.137 63.136 63.200 0.121 0.000 0.844 94 S HN 0.400 nan 8.310 nan 0.000 0.459 95 D N 0.392 120.774 120.400 -0.029 0.000 2.149 95 D HA -0.008 4.635 4.640 0.005 0.000 0.201 95 D C 1.967 178.146 176.300 -0.201 0.000 0.972 95 D CA 1.350 55.316 54.000 -0.057 0.000 0.835 95 D CB -0.638 40.180 40.800 0.031 0.000 0.966 95 D HN 0.405 nan 8.370 nan 0.000 0.476 96 T N -0.791 113.510 114.554 -0.422 0.000 3.014 96 T HA -0.060 4.293 4.350 0.005 0.000 0.263 96 T C 0.355 174.589 174.700 -0.777 0.000 1.078 96 T CA 0.609 62.303 62.100 -0.675 0.000 1.135 96 T CB 0.001 68.230 68.868 -1.064 0.000 0.895 96 T HN 0.161 nan 8.240 nan 0.000 0.480 97 Y N 1.543 121.729 120.300 -0.191 0.000 2.562 97 Y HA 0.425 4.978 4.550 0.005 0.000 0.363 97 Y C 0.383 176.028 175.900 -0.425 0.000 0.991 97 Y CA -1.312 56.566 58.100 -0.369 0.000 1.121 97 Y CB -0.055 38.223 38.460 -0.303 0.000 1.159 97 Y HN -0.075 nan 8.280 nan 0.000 0.651 98 N N 2.668 121.313 118.700 -0.091 0.000 3.303 98 N HA 0.113 4.856 4.740 0.005 0.000 0.304 98 N C -1.452 174.162 175.510 0.173 0.000 1.302 98 N CA -0.007 53.053 53.050 0.017 0.000 1.213 98 N CB -0.574 37.946 38.487 0.055 0.000 1.481 98 N HN 0.500 nan 8.380 nan 0.000 0.546 99 Y N -2.466 117.882 120.300 0.081 0.000 2.741 99 Y HA 0.340 4.893 4.550 0.005 0.000 0.339 99 Y C -0.482 175.465 175.900 0.078 0.000 1.226 99 Y CA -1.466 56.675 58.100 0.069 0.000 1.072 99 Y CB 0.446 38.952 38.460 0.077 0.000 1.331 99 Y HN -0.019 nan 8.280 nan 0.000 0.453 100 E N 2.113 122.448 120.200 0.226 0.000 2.328 100 E HA 0.259 4.612 4.350 0.005 0.000 0.265 100 E C -0.785 175.944 176.600 0.215 0.000 1.057 100 E CA -0.228 56.257 56.400 0.141 0.000 0.916 100 E CB 0.380 30.160 29.700 0.133 0.000 0.993 100 E HN 0.587 nan 8.360 nan 0.000 0.446 101 I N 4.851 125.478 120.570 0.094 0.000 2.587 101 I HA -0.012 4.161 4.170 0.005 0.000 0.284 101 I C 0.375 176.526 176.117 0.057 0.000 1.134 101 I CA 0.317 61.666 61.300 0.082 0.000 1.410 101 I CB 0.433 38.413 38.000 -0.033 0.000 1.392 101 I HN 0.358 nan 8.210 nan 0.000 0.545 102 K N 7.554 127.978 120.400 0.041 0.000 2.316 102 K HA 0.306 4.629 4.320 0.005 0.000 0.267 102 K C -0.995 175.399 176.600 -0.343 0.000 1.025 102 K CA -0.474 55.750 56.287 -0.106 0.000 0.896 102 K CB 0.595 33.072 32.500 -0.039 0.000 1.124 102 K HN 0.386 nan 8.250 nan 0.000 0.451 103 Y N 0.152 120.041 120.300 -0.684 0.000 2.457 103 Y HA 0.600 5.153 4.550 0.005 0.000 0.333 103 Y C -0.526 174.928 175.900 -0.744 0.000 1.119 103 Y CA -1.351 55.944 58.100 -1.340 0.000 1.143 103 Y CB 1.291 38.723 38.460 -1.713 0.000 1.230 103 Y HN 0.383 nan 8.280 nan 0.000 0.469 104 D N 1.727 121.747 120.400 -0.633 0.000 2.441 104 D HA 0.094 4.737 4.640 0.005 0.000 0.231 104 D C 0.583 176.914 176.300 0.051 0.000 1.073 104 D CA -0.500 53.391 54.000 -0.181 0.000 0.850 104 D CB 0.209 41.012 40.800 0.005 0.000 1.062 104 D HN 0.916 nan 8.370 nan 0.000 0.524 105 H N 1.013 120.131 119.070 0.080 0.000 2.456 105 H HA -0.125 4.434 4.556 0.005 0.000 0.296 105 H C 1.491 176.918 175.328 0.166 0.000 1.079 105 H CA 1.933 58.111 56.048 0.217 0.000 1.322 105 H CB -0.211 29.685 29.762 0.224 0.000 1.388 105 H HN 0.304 nan 8.280 nan 0.000 0.538 106 T N -1.965 112.308 114.554 -0.468 0.000 3.007 106 T HA -0.032 4.321 4.350 0.005 0.000 0.270 106 T C 1.445 176.122 174.700 -0.038 0.000 1.107 106 T CA 0.596 62.527 62.100 -0.282 0.000 1.118 106 T CB -0.050 68.640 68.868 -0.296 0.000 0.889 106 T HN 0.298 nan 8.240 nan 0.000 0.506 107 K N 0.635 121.069 120.400 0.057 0.000 2.393 107 K HA 0.355 4.678 4.320 0.005 0.000 0.193 107 K C 0.535 177.211 176.600 0.126 0.000 1.026 107 K CA -0.002 56.346 56.287 0.101 0.000 1.064 107 K CB 0.298 32.898 32.500 0.166 0.000 0.833 107 K HN 0.497 nan 8.250 nan 0.000 0.521 108 I N 2.180 122.859 120.570 0.182 0.000 2.325 108 I HA 0.163 4.336 4.170 0.005 0.000 0.291 108 I C 0.518 176.704 176.117 0.115 0.000 1.019 108 I CA -0.586 60.824 61.300 0.184 0.000 1.302 108 I CB 0.827 38.987 38.000 0.268 0.000 1.401 108 I HN -0.165 nan 8.210 nan 0.000 0.485 109 R N 6.163 126.695 120.500 0.054 0.000 2.291 109 R HA 0.336 4.679 4.340 0.005 0.000 0.333 109 R C -1.169 175.148 176.300 0.029 0.000 1.082 109 R CA -0.282 55.822 56.100 0.007 0.000 0.948 109 R CB 0.395 30.651 30.300 -0.073 0.000 1.009 109 R HN 0.458 nan 8.270 nan 0.000 0.460 110 V N 4.279 124.237 119.914 0.074 0.000 2.350 110 V HA 0.447 4.570 4.120 0.005 0.000 0.276 110 V C 0.157 176.313 176.094 0.104 0.000 1.028 110 V CA -0.716 61.652 62.300 0.113 0.000 0.860 110 V CB 1.227 33.159 31.823 0.181 0.000 0.990 110 V HN 0.833 nan 8.190 nan 0.000 0.453 111 A N 4.324 127.183 122.820 0.066 0.000 2.317 111 A HA 0.773 5.095 4.320 0.005 0.000 0.327 111 A C -0.268 177.389 177.584 0.121 0.000 1.178 111 A CA -0.578 51.468 52.037 0.015 0.000 0.817 111 A CB 0.868 19.767 19.000 -0.168 0.000 1.189 111 A HN 0.754 nan 8.150 nan 0.000 0.489 112 N N 1.734 120.545 118.700 0.185 0.000 2.483 112 N HA 0.602 5.345 4.740 0.005 0.000 0.267 112 N C -1.248 174.470 175.510 0.346 0.000 0.998 112 N CA -0.596 52.631 53.050 0.295 0.000 0.918 112 N CB 0.689 39.346 38.487 0.283 0.000 1.215 112 N HN 0.516 nan 8.380 nan 0.000 0.500 113 F N 0.990 121.021 119.950 0.135 0.000 2.611 113 F HA 0.836 5.365 4.527 0.005 0.000 0.324 113 F C -1.097 174.844 175.800 0.236 0.000 1.061 113 F CA -1.268 56.851 58.000 0.198 0.000 0.954 113 F CB 1.594 40.729 39.000 0.225 0.000 1.301 113 F HN 0.321 nan 8.300 nan 0.000 0.482 114 D N 1.823 122.233 120.400 0.017 0.000 2.837 114 D HA 0.574 5.217 4.640 0.005 0.000 0.220 114 D C -1.415 174.893 176.300 0.012 0.000 1.236 114 D CA -0.446 53.495 54.000 -0.099 0.000 0.838 114 D CB 2.203 43.022 40.800 0.032 0.000 1.647 114 D HN 0.869 nan 8.370 nan 0.000 0.486 115 I N -0.761 119.804 120.570 -0.008 0.000 2.797 115 I HA 0.736 4.909 4.170 0.005 0.000 0.307 115 I C -0.896 175.248 176.117 0.045 0.000 1.033 115 I CA -0.679 60.648 61.300 0.046 0.000 1.071 115 I CB 2.142 40.166 38.000 0.041 0.000 1.255 115 I HN 0.102 nan 8.210 nan 0.000 0.445 116 E N 4.045 124.257 120.200 0.019 0.000 2.212 116 E HA 0.614 4.967 4.350 0.005 0.000 0.268 116 E C -1.264 175.383 176.600 0.079 0.000 0.902 116 E CA -0.799 55.607 56.400 0.011 0.000 0.779 116 E CB 2.911 32.529 29.700 -0.137 0.000 1.172 116 E HN 0.525 nan 8.360 nan 0.000 0.409 117 V N 2.148 122.099 119.914 0.062 0.000 2.509 117 V HA 0.179 4.302 4.120 0.005 0.000 0.289 117 V C -0.193 175.914 176.094 0.022 0.000 1.026 117 V CA -0.779 61.528 62.300 0.010 0.000 0.872 117 V CB 1.860 33.541 31.823 -0.237 0.000 1.017 117 V HN 0.596 nan 8.190 nan 0.000 0.436 118 T N 3.418 118.017 114.554 0.074 0.000 2.834 118 T HA 0.303 4.656 4.350 0.005 0.000 0.298 118 T C 0.256 174.763 174.700 -0.322 0.000 0.966 118 T CA 0.393 62.453 62.100 -0.066 0.000 1.141 118 T CB 0.839 69.683 68.868 -0.041 0.000 0.905 118 T HN 0.684 nan 8.240 nan 0.000 0.535 119 S N 4.148 119.582 115.700 -0.443 0.000 2.779 119 S HA 0.433 4.906 4.470 0.005 0.000 0.293 119 S C -1.857 172.458 174.600 -0.475 0.000 1.150 119 S CA -1.489 56.270 58.200 -0.735 0.000 1.057 119 S CB 1.322 64.111 63.200 -0.686 0.000 1.021 119 S HN 0.436 nan 8.310 nan 0.000 0.485 120 P HA 0.105 nan 4.420 nan 0.000 0.231 120 P C 0.053 177.288 177.300 -0.109 0.000 1.168 120 P CA 0.628 63.572 63.100 -0.260 0.000 0.779 120 P CB -0.102 31.438 31.700 -0.267 0.000 0.844 121 D N -0.687 119.671 120.400 -0.069 0.000 2.894 121 D HA 0.391 5.034 4.640 0.005 0.000 0.273 121 D C 0.921 177.261 176.300 0.066 0.000 1.328 121 D CA -0.602 53.420 54.000 0.038 0.000 0.845 121 D CB -0.111 40.757 40.800 0.113 0.000 1.072 121 D HN 0.208 nan 8.370 nan 0.000 0.484 122 G N 0.157 108.979 108.800 0.037 0.000 2.472 122 G HA2 -0.131 3.832 3.960 0.005 0.000 0.205 122 G HA3 -0.131 3.832 3.960 0.005 0.000 0.205 122 G C -0.926 174.051 174.900 0.128 0.000 1.270 122 G CA -0.735 44.426 45.100 0.102 0.000 0.974 122 G HN 0.270 nan 8.290 nan 0.000 0.542 123 F N 4.259 124.243 119.950 0.057 0.000 2.504 123 F HA 0.525 5.054 4.527 0.005 0.000 0.369 123 F C -1.104 174.790 175.800 0.158 0.000 1.082 123 F CA -1.465 56.576 58.000 0.069 0.000 1.216 123 F CB 0.903 39.942 39.000 0.065 0.000 1.108 123 F HN 0.294 nan 8.300 nan 0.000 0.554 124 P HA 0.028 nan 4.420 nan 0.000 0.271 124 P C -0.906 176.403 177.300 0.014 0.000 1.380 124 P CA -0.058 63.016 63.100 -0.044 0.000 0.992 124 P CB 0.420 32.107 31.700 -0.021 0.000 1.230 125 E N 5.093 125.430 120.200 0.228 0.000 2.351 125 E HA 0.029 4.382 4.350 0.005 0.000 0.266 125 E C -1.513 175.249 176.600 0.270 0.000 1.031 125 E CA -1.626 54.964 56.400 0.316 0.000 0.911 125 E CB 0.411 30.274 29.700 0.273 0.000 0.986 125 E HN 0.333 nan 8.360 nan 0.000 0.446 126 P HA -0.145 nan 4.420 nan 0.000 0.216 126 P C 1.503 178.779 177.300 -0.041 0.000 1.150 126 P CA 1.134 64.304 63.100 0.117 0.000 0.837 126 P CB 0.305 32.105 31.700 0.166 0.000 0.786 127 S N -1.495 114.232 115.700 0.044 0.000 2.419 127 S HA -0.161 4.311 4.470 0.005 0.000 0.233 127 S C 1.847 176.427 174.600 -0.033 0.000 1.016 127 S CA 1.132 59.340 58.200 0.013 0.000 0.974 127 S CB -0.552 62.677 63.200 0.048 0.000 0.786 127 S HN 0.081 nan 8.310 nan 0.000 0.492 128 Q N 0.148 119.926 119.800 -0.037 0.000 2.226 128 Q HA 0.347 4.690 4.340 0.005 0.000 0.199 128 Q C 1.230 177.125 176.000 -0.176 0.000 0.945 128 Q CA 0.790 56.553 55.803 -0.066 0.000 0.861 128 Q CB -0.615 28.119 28.738 -0.005 0.000 0.953 128 Q HN 0.549 nan 8.270 nan 0.000 0.490 129 A N 2.384 125.016 122.820 -0.313 0.000 2.511 129 A HA -0.256 4.067 4.320 0.005 0.000 0.297 129 A C 1.041 178.460 177.584 -0.276 0.000 1.476 129 A CA 1.448 53.087 52.037 -0.665 0.000 0.757 129 A CB -1.808 16.650 19.000 -0.905 0.000 1.072 129 A HN 0.529 nan 8.150 nan 0.000 0.413 130 K N -0.799 119.508 120.400 -0.155 0.000 2.404 130 K HA 0.197 4.520 4.320 0.005 0.000 0.194 130 K C 0.217 176.655 176.600 -0.269 0.000 1.023 130 K CA 0.676 56.819 56.287 -0.240 0.000 1.094 130 K CB 0.135 32.452 32.500 -0.305 0.000 0.841 130 K HN 0.789 nan 8.250 nan 0.000 0.523 131 H N 0.964 120.182 119.070 0.246 0.000 2.569 131 H HA 0.356 4.915 4.556 0.005 0.000 0.357 131 H C -2.658 172.845 175.328 0.292 0.000 1.153 131 H CA -2.360 53.873 56.048 0.310 0.000 1.193 131 H CB 1.393 31.358 29.762 0.337 0.000 1.602 131 H HN -0.079 nan 8.280 nan 0.000 0.523 132 P HA -0.008 nan 4.420 nan 0.000 0.266 132 P C -0.270 177.171 177.300 0.235 0.000 1.195 132 P CA 0.233 63.460 63.100 0.213 0.000 0.768 132 P CB 0.570 32.347 31.700 0.129 0.000 0.838 133 I N 3.330 124.013 120.570 0.189 0.000 2.379 133 I HA 0.041 4.213 4.170 0.005 0.000 0.290 133 I C 0.895 177.087 176.117 0.124 0.000 1.063 133 I CA 0.402 61.779 61.300 0.130 0.000 1.351 133 I CB 0.576 38.633 38.000 0.095 0.000 1.410 133 I HN 0.425 nan 8.210 nan 0.000 0.505 134 D N 4.323 124.823 120.400 0.167 0.000 2.433 134 D HA 0.345 4.988 4.640 0.005 0.000 0.211 134 D C 0.033 176.496 176.300 0.271 0.000 1.114 134 D CA -0.143 53.989 54.000 0.220 0.000 0.837 134 D CB 0.733 41.680 40.800 0.246 0.000 0.984 134 D HN 0.393 nan 8.370 nan 0.000 0.505 135 A N 0.311 123.254 122.820 0.204 0.000 2.540 135 A HA 0.655 4.978 4.320 0.005 0.000 0.297 135 A C -1.586 176.064 177.584 0.111 0.000 1.056 135 A CA -0.780 51.362 52.037 0.176 0.000 0.700 135 A CB 1.054 20.129 19.000 0.125 0.000 1.280 135 A HN 0.150 nan 8.150 nan 0.000 0.398 136 I N 1.613 122.278 120.570 0.159 0.000 2.499 136 I HA 0.435 4.608 4.170 0.005 0.000 0.288 136 I C -0.470 175.854 176.117 0.345 0.000 1.048 136 I CA -0.395 61.005 61.300 0.168 0.000 1.062 136 I CB 2.662 40.594 38.000 -0.113 0.000 1.238 136 I HN 0.552 nan 8.210 nan 0.000 0.426 137 T N 3.649 118.410 114.554 0.345 0.000 2.779 137 T HA 0.345 4.698 4.350 0.005 0.000 0.280 137 T C -0.944 174.122 174.700 0.610 0.000 0.987 137 T CA -0.408 61.954 62.100 0.436 0.000 0.966 137 T CB 0.652 69.700 68.868 0.300 0.000 0.933 137 T HN 0.529 nan 8.240 nan 0.000 0.442 138 H N 2.378 121.817 119.070 0.615 0.000 2.970 138 H HA 0.427 4.986 4.556 0.005 0.000 0.315 138 H C -1.490 174.207 175.328 0.616 0.000 0.992 138 H CA -0.820 55.639 56.048 0.684 0.000 1.363 138 H CB 0.537 30.784 29.762 0.808 0.000 1.532 138 H HN 0.683 nan 8.280 nan 0.000 0.514 139 Y N 4.778 125.293 120.300 0.359 0.000 2.313 139 Y HA 0.216 4.769 4.550 0.005 0.000 0.332 139 Y C -0.639 175.391 175.900 0.217 0.000 1.071 139 Y CA -0.353 57.808 58.100 0.103 0.000 1.169 139 Y CB 0.846 39.120 38.460 -0.311 0.000 1.192 139 Y HN 0.638 nan 8.280 nan 0.000 0.487 140 D N 3.629 123.752 120.400 -0.463 0.000 2.308 140 D HA 0.097 4.740 4.640 0.005 0.000 0.242 140 D C 0.410 176.301 176.300 -0.682 0.000 1.059 140 D CA -0.011 53.825 54.000 -0.274 0.000 0.830 140 D CB 1.944 42.801 40.800 0.095 0.000 1.161 140 D HN 0.767 nan 8.370 nan 0.000 0.494 141 S N 3.377 118.902 115.700 -0.291 0.000 2.428 141 S HA -0.064 4.409 4.470 0.005 0.000 0.230 141 S C 1.991 176.572 174.600 -0.032 0.000 1.014 141 S CA 0.284 58.439 58.200 -0.075 0.000 0.957 141 S CB -0.092 63.205 63.200 0.163 0.000 0.784 141 S HN 0.621 nan 8.310 nan 0.000 0.499 142 I N 1.892 122.433 120.570 -0.048 0.000 2.277 142 I HA -0.077 4.096 4.170 0.005 0.000 0.243 142 I C 1.816 177.924 176.117 -0.016 0.000 1.094 142 I CA 1.252 62.541 61.300 -0.017 0.000 1.393 142 I CB -0.280 37.705 38.000 -0.025 0.000 1.078 142 I HN 0.205 nan 8.210 nan 0.000 0.417 143 D N 0.205 120.588 120.400 -0.029 0.000 2.224 143 D HA -0.152 4.491 4.640 0.005 0.000 0.205 143 D C 0.609 176.892 176.300 -0.028 0.000 0.965 143 D CA 0.970 54.978 54.000 0.014 0.000 0.852 143 D CB -0.361 40.520 40.800 0.135 0.000 0.947 143 D HN 0.198 nan 8.370 nan 0.000 0.494 144 D N 0.122 120.439 120.400 -0.139 0.000 2.699 144 D HA -0.176 4.467 4.640 0.005 0.000 0.239 144 D C -0.893 175.378 176.300 -0.050 0.000 1.136 144 D CA 0.530 54.486 54.000 -0.075 0.000 0.668 144 D CB -0.388 40.478 40.800 0.109 0.000 1.060 144 D HN 0.044 nan 8.370 nan 0.000 0.429 145 R N 0.164 120.495 120.500 -0.282 0.000 2.744 145 R HA 0.484 4.826 4.340 0.005 0.000 0.279 145 R C -0.518 175.625 176.300 -0.262 0.000 0.977 145 R CA -0.685 55.290 56.100 -0.209 0.000 0.906 145 R CB 0.703 30.760 30.300 -0.406 0.000 1.197 145 R HN 0.001 nan 8.270 nan 0.000 0.463 146 F N 2.281 122.232 119.950 0.003 0.000 2.371 146 F HA 0.346 4.876 4.527 0.005 0.000 0.363 146 F C 0.083 175.842 175.800 -0.069 0.000 1.122 146 F CA -0.478 57.606 58.000 0.140 0.000 1.129 146 F CB 0.550 39.644 39.000 0.156 0.000 1.173 146 F HN 0.283 nan 8.300 nan 0.000 0.489 147 Y N 2.594 123.091 120.300 0.329 0.000 2.367 147 Y HA 0.498 5.051 4.550 0.005 0.000 0.342 147 Y C -0.145 175.819 175.900 0.106 0.000 0.979 147 Y CA -0.863 57.291 58.100 0.089 0.000 1.161 147 Y CB 1.039 39.447 38.460 -0.087 0.000 1.155 147 Y HN 0.196 nan 8.280 nan 0.000 0.503 148 V N 5.527 125.462 119.914 0.034 0.000 2.357 148 V HA 0.313 4.436 4.120 0.005 0.000 0.284 148 V C -0.756 175.283 176.094 -0.092 0.000 1.018 148 V CA -0.987 61.359 62.300 0.077 0.000 0.841 148 V CB 0.461 32.307 31.823 0.039 0.000 0.991 148 V HN 0.455 nan 8.190 nan 0.000 0.437 149 F N 3.018 123.057 119.950 0.148 0.000 2.361 149 F HA 0.515 5.045 4.527 0.005 0.000 0.364 149 F C 0.148 176.078 175.800 0.218 0.000 1.117 149 F CA -0.690 57.450 58.000 0.235 0.000 1.071 149 F CB 1.283 40.364 39.000 0.134 0.000 1.188 149 F HN 0.421 nan 8.300 nan 0.000 0.464 150 D N 3.860 124.491 120.400 0.386 0.000 2.408 150 D HA 0.285 4.928 4.640 0.005 0.000 0.243 150 D C -1.345 175.190 176.300 0.392 0.000 1.075 150 D CA -0.557 53.661 54.000 0.364 0.000 0.832 150 D CB 1.574 42.609 40.800 0.392 0.000 1.162 150 D HN 0.357 nan 8.370 nan 0.000 0.515 151 L N 5.227 126.654 121.223 0.340 0.000 2.283 151 L HA 0.304 4.647 4.340 0.005 0.000 0.287 151 L C 0.304 177.277 176.870 0.172 0.000 1.073 151 L CA 0.024 55.018 54.840 0.257 0.000 0.822 151 L CB 0.608 42.782 42.059 0.191 0.000 1.186 151 L HN 0.605 nan 8.230 nan 0.000 0.436 152 L N 3.659 124.960 121.223 0.129 0.000 2.375 152 L HA 0.210 4.553 4.340 0.005 0.000 0.215 152 L C 0.076 176.943 176.870 -0.005 0.000 1.108 152 L CA 0.176 55.028 54.840 0.019 0.000 0.830 152 L CB -0.214 41.870 42.059 0.042 0.000 0.959 152 L HN 0.618 nan 8.230 nan 0.000 0.457 153 N N 0.070 118.791 118.700 0.035 0.000 2.399 153 N HA 0.347 5.090 4.740 0.005 0.000 0.284 153 N C -1.034 174.483 175.510 0.011 0.000 1.025 153 N CA 0.071 53.130 53.050 0.015 0.000 0.885 153 N CB 2.312 40.812 38.487 0.020 0.000 1.339 153 N HN -0.148 nan 8.380 nan 0.000 0.487 154 S N 1.327 117.019 115.700 -0.014 0.000 2.579 154 S HA 0.555 5.028 4.470 0.005 0.000 0.272 154 S C -2.102 172.432 174.600 -0.110 0.000 1.141 154 S CA -1.331 56.842 58.200 -0.046 0.000 0.843 154 S CB 1.539 64.743 63.200 0.007 0.000 1.122 154 S HN 0.220 nan 8.310 nan 0.000 0.468 155 P HA -0.010 nan 4.420 nan 0.000 0.225 155 P C 0.143 177.271 177.300 -0.287 0.000 1.148 155 P CA 1.053 63.960 63.100 -0.321 0.000 0.779 155 P CB -0.176 31.221 31.700 -0.506 0.000 0.780 156 Y N -0.058 120.250 120.300 0.013 0.000 2.524 156 Y HA 0.532 5.084 4.550 0.005 0.000 0.266 156 Y C 1.438 177.322 175.900 -0.026 0.000 1.180 156 Y CA -0.260 57.839 58.100 -0.002 0.000 1.244 156 Y CB 0.018 38.475 38.460 -0.004 0.000 1.125 156 Y HN -0.048 nan 8.280 nan 0.000 0.524 157 G N 0.272 109.112 108.800 0.066 0.000 2.306 157 G HA2 -0.033 3.930 3.960 0.005 0.000 0.340 157 G HA3 -0.033 3.930 3.960 0.005 0.000 0.340 157 G C -1.617 173.275 174.900 -0.014 0.000 1.630 157 G CA -1.331 43.782 45.100 0.021 0.000 0.937 157 G HN -0.031 nan 8.290 nan 0.000 0.693 158 N N -0.118 118.569 118.700 -0.022 0.000 2.455 158 N HA 0.681 5.424 4.740 0.005 0.000 0.280 158 N C 0.495 175.969 175.510 -0.061 0.000 1.055 158 N CA -0.116 52.913 53.050 -0.036 0.000 0.961 158 N CB 1.991 40.466 38.487 -0.019 0.000 1.121 158 N HN 1.187 nan 8.380 nan 0.000 0.476 159 V N -1.222 118.623 119.914 -0.115 0.000 3.126 159 V HA 0.622 4.745 4.120 0.005 0.000 0.314 159 V C 0.069 176.086 176.094 -0.129 0.000 1.138 159 V CA -0.984 61.211 62.300 -0.175 0.000 1.034 159 V CB 2.140 33.703 31.823 -0.433 0.000 1.075 159 V HN 0.369 nan 8.190 nan 0.000 0.442 160 E N 0.519 120.685 120.200 -0.056 0.000 2.345 160 E HA 0.343 4.696 4.350 0.005 0.000 0.259 160 E C -0.257 176.430 176.600 0.144 0.000 1.117 160 E CA -0.424 56.001 56.400 0.042 0.000 0.913 160 E CB 1.007 30.748 29.700 0.067 0.000 1.057 160 E HN 0.795 nan 8.360 nan 0.000 0.432 161 E N 0.536 120.859 120.200 0.205 0.000 2.436 161 E HA -0.074 4.279 4.350 0.005 0.000 0.262 161 E C -0.453 176.374 176.600 0.379 0.000 1.063 161 E CA 0.093 56.718 56.400 0.374 0.000 0.944 161 E CB 0.485 30.377 29.700 0.319 0.000 0.950 161 E HN 0.343 nan 8.360 nan 0.000 0.444 162 W N 2.371 123.774 121.300 0.172 0.000 2.218 162 W HA 0.096 4.759 4.660 0.005 0.000 0.326 162 W C -0.194 176.133 176.519 -0.320 0.000 1.276 162 W CA -0.257 56.990 57.345 -0.163 0.000 1.210 162 W CB 0.913 30.169 29.460 -0.341 0.000 1.143 162 W HN 0.196 nan 8.180 nan 0.000 0.563 163 S N 6.940 122.086 115.700 -0.923 0.000 2.438 163 S HA 0.203 4.676 4.470 0.005 0.000 0.316 163 S C 0.701 174.419 174.600 -1.470 0.000 1.084 163 S CA -0.750 56.903 58.200 -0.912 0.000 1.107 163 S CB 0.629 63.539 63.200 -0.483 0.000 0.981 163 S HN 0.700 nan 8.310 nan 0.000 0.466 164 I N 4.352 124.102 120.570 -1.366 0.000 2.493 164 I HA -0.091 4.082 4.170 0.005 0.000 0.254 164 I C 1.742 177.534 176.117 -0.540 0.000 1.160 164 I CA 1.405 62.050 61.300 -1.091 0.000 1.445 164 I CB 0.143 37.825 38.000 -0.530 0.000 1.086 164 I HN 0.686 nan 8.210 nan 0.000 0.433 165 E N 0.858 120.805 120.200 -0.422 0.000 2.031 165 E HA -0.193 4.159 4.350 0.005 0.000 0.193 165 E C 2.074 178.530 176.600 -0.239 0.000 0.994 165 E CA 1.633 57.878 56.400 -0.258 0.000 0.800 165 E CB -0.228 29.353 29.700 -0.198 0.000 0.752 165 E HN 0.499 nan 8.360 nan 0.000 0.447 166 I N 0.601 120.996 120.570 -0.292 0.000 2.315 166 I HA -0.253 3.920 4.170 0.005 0.000 0.248 166 I C 2.292 178.289 176.117 -0.199 0.000 1.117 166 I CA 0.912 62.079 61.300 -0.222 0.000 1.404 166 I CB -0.316 37.551 38.000 -0.220 0.000 1.071 166 I HN 0.097 nan 8.210 nan 0.000 0.419 167 A N 0.849 123.489 122.820 -0.299 0.000 1.908 167 A HA -0.207 4.116 4.320 0.005 0.000 0.218 167 A C 2.508 180.063 177.584 -0.048 0.000 1.181 167 A CA 2.005 53.968 52.037 -0.123 0.000 0.627 167 A CB -0.778 18.184 19.000 -0.064 0.000 0.818 167 A HN 0.443 nan 8.150 nan 0.000 0.445 168 A N -0.630 122.132 122.820 -0.096 0.000 2.014 168 A HA 0.041 4.364 4.320 0.005 0.000 0.218 168 A C 1.315 178.872 177.584 -0.045 0.000 1.163 168 A CA 0.716 52.718 52.037 -0.059 0.000 0.652 168 A CB -0.209 18.746 19.000 -0.076 0.000 0.808 168 A HN 0.512 nan 8.150 nan 0.000 0.449 169 K N 0.079 120.445 120.400 -0.057 0.000 2.380 169 K HA 0.307 4.630 4.320 0.005 0.000 0.267 169 K C -0.362 176.227 176.600 -0.018 0.000 0.990 169 K CA -0.278 55.984 56.287 -0.042 0.000 0.946 169 K CB 0.377 32.846 32.500 -0.052 0.000 0.937 169 K HN 0.337 nan 8.250 nan 0.000 0.491 170 L N 2.773 123.988 121.223 -0.013 0.000 2.499 170 L HA -0.120 4.223 4.340 0.005 0.000 0.281 170 L C 1.887 178.761 176.870 0.007 0.000 1.234 170 L CA 0.262 55.101 54.840 -0.001 0.000 0.839 170 L CB 0.216 42.272 42.059 -0.005 0.000 1.104 170 L HN 0.656 nan 8.230 nan 0.000 0.500 171 Q N 1.114 120.927 119.800 0.022 0.000 2.291 171 Q HA -0.192 4.150 4.340 0.005 0.000 0.206 171 Q C 1.238 177.249 176.000 0.018 0.000 0.976 171 Q CA 1.338 57.160 55.803 0.032 0.000 0.875 171 Q CB 0.080 28.851 28.738 0.054 0.000 0.927 171 Q HN 0.609 nan 8.270 nan 0.000 0.450 172 E N 0.384 120.590 120.200 0.010 0.000 2.482 172 E HA -0.083 4.270 4.350 0.005 0.000 0.196 172 E C 1.003 177.602 176.600 -0.002 0.000 1.047 172 E CA 0.496 56.898 56.400 0.004 0.000 0.869 172 E CB 0.201 29.902 29.700 0.001 0.000 0.836 172 E HN 0.317 nan 8.360 nan 0.000 0.520 173 Q N -1.028 118.768 119.800 -0.006 0.000 2.282 173 Q HA 0.204 4.547 4.340 0.005 0.000 0.206 173 Q C 0.645 176.635 176.000 -0.017 0.000 0.878 173 Q CA 0.334 56.128 55.803 -0.014 0.000 0.944 173 Q CB 1.033 29.758 28.738 -0.021 0.000 1.100 173 Q HN 0.336 nan 8.270 nan 0.000 0.509 174 G N 0.316 109.110 108.800 -0.009 0.000 2.157 174 G HA2 -0.233 3.730 3.960 0.005 0.000 0.248 174 G HA3 -0.233 3.730 3.960 0.005 0.000 0.248 174 G C 0.374 175.262 174.900 -0.019 0.000 0.979 174 G CA -0.207 44.886 45.100 -0.011 0.000 0.650 174 G HN 0.505 nan 8.290 nan 0.000 0.529 175 G N -0.981 107.809 108.800 -0.017 0.000 2.525 175 G HA2 0.507 4.470 3.960 0.005 0.000 0.287 175 G HA3 0.507 4.470 3.960 0.005 0.000 0.287 175 G C 0.322 175.229 174.900 0.012 0.000 1.350 175 G CA 0.456 45.542 45.100 -0.022 0.000 1.039 175 G HN 0.079 nan 8.290 nan 0.000 0.513 176 D N -0.897 119.520 120.400 0.030 0.000 2.441 176 D HA 0.076 4.719 4.640 0.005 0.000 0.210 176 D C 0.289 176.674 176.300 0.141 0.000 1.102 176 D CA 0.065 54.127 54.000 0.104 0.000 0.840 176 D CB 0.552 41.421 40.800 0.114 0.000 0.990 176 D HN 0.634 nan 8.370 nan 0.000 0.505 177 E N 0.538 120.782 120.200 0.074 0.000 2.297 177 E HA -0.154 4.199 4.350 0.005 0.000 0.228 177 E C -0.571 176.064 176.600 0.059 0.000 1.213 177 E CA -0.151 56.282 56.400 0.054 0.000 0.712 177 E CB -1.024 28.708 29.700 0.053 0.000 1.202 177 E HN 0.045 nan 8.360 nan 0.000 0.376 178 V N 1.265 121.213 119.914 0.058 0.000 2.485 178 V HA 0.069 4.192 4.120 0.005 0.000 0.287 178 V C -1.650 174.427 176.094 -0.028 0.000 1.022 178 V CA -0.868 61.447 62.300 0.024 0.000 1.067 178 V CB 0.388 32.242 31.823 0.050 0.000 0.967 178 V HN 0.139 nan 8.190 nan 0.000 0.479 179 P HA -0.038 nan 4.420 nan 0.000 0.261 179 P C 1.010 178.255 177.300 -0.091 0.000 1.173 179 P CA 0.539 63.610 63.100 -0.048 0.000 0.760 179 P CB 0.550 32.240 31.700 -0.016 0.000 0.783 180 S N 3.340 119.011 115.700 -0.047 0.000 2.387 180 S HA -0.201 4.272 4.470 0.005 0.000 0.230 180 S C 1.563 176.132 174.600 -0.051 0.000 1.035 180 S CA 1.565 59.739 58.200 -0.043 0.000 1.014 180 S CB -0.572 62.614 63.200 -0.023 0.000 0.836 180 S HN 0.617 nan 8.310 nan 0.000 0.466 181 E N 1.391 121.559 120.200 -0.053 0.000 2.409 181 E HA -0.119 4.234 4.350 0.005 0.000 0.198 181 E C 1.783 178.334 176.600 -0.083 0.000 1.024 181 E CA 1.159 57.537 56.400 -0.038 0.000 0.861 181 E CB -0.516 29.192 29.700 0.013 0.000 0.788 181 E HN 0.905 nan 8.360 nan 0.000 0.521 182 I N -3.184 117.265 120.570 -0.202 0.000 4.139 182 I HA 0.119 4.292 4.170 0.005 0.000 0.335 182 I C 1.773 177.799 176.117 -0.152 0.000 1.327 182 I CA -0.426 60.730 61.300 -0.239 0.000 1.112 182 I CB 0.055 37.643 38.000 -0.686 0.000 1.058 182 I HN -0.236 nan 8.210 nan 0.000 0.396 183 I N 2.698 123.205 120.570 -0.105 0.000 2.151 183 I HA -0.258 3.915 4.170 0.005 0.000 0.243 183 I C 1.633 177.756 176.117 0.009 0.000 1.080 183 I CA 1.765 63.041 61.300 -0.040 0.000 1.339 183 I CB -1.087 36.892 38.000 -0.034 0.000 1.039 183 I HN 0.343 nan 8.210 nan 0.000 0.409 184 D N 0.555 120.964 120.400 0.014 0.000 2.363 184 D HA -0.075 4.568 4.640 0.005 0.000 0.220 184 D C 1.636 177.974 176.300 0.064 0.000 0.994 184 D CA 0.656 54.678 54.000 0.036 0.000 0.890 184 D CB -0.023 40.795 40.800 0.031 0.000 0.906 184 D HN 0.403 nan 8.370 nan 0.000 0.530 185 K N -0.087 120.370 120.400 0.095 0.000 2.372 185 K HA 0.245 4.567 4.320 0.005 0.000 0.200 185 K C 0.336 177.056 176.600 0.201 0.000 1.022 185 K CA -0.091 56.297 56.287 0.169 0.000 1.125 185 K CB 1.257 33.935 32.500 0.298 0.000 0.855 185 K HN 0.081 nan 8.250 nan 0.000 0.524 186 I N 2.040 122.689 120.570 0.131 0.000 2.342 186 I HA 0.214 4.387 4.170 0.005 0.000 0.291 186 I C -0.137 176.029 176.117 0.082 0.000 1.010 186 I CA -0.559 60.815 61.300 0.124 0.000 1.308 186 I CB 1.042 39.111 38.000 0.115 0.000 1.400 186 I HN -0.090 nan 8.210 nan 0.000 0.488 187 I N 7.267 127.836 120.570 -0.001 0.000 2.359 187 I HA 0.186 4.359 4.170 0.005 0.000 0.284 187 I C -0.893 175.254 176.117 0.050 0.000 1.018 187 I CA -0.668 60.627 61.300 -0.009 0.000 1.173 187 I CB 0.852 38.758 38.000 -0.156 0.000 1.326 187 I HN 0.456 nan 8.210 nan 0.000 0.462 188 Y N 8.069 128.367 120.300 -0.003 0.000 2.328 188 Y HA 0.647 5.200 4.550 0.005 0.000 0.337 188 Y C -0.745 175.121 175.900 -0.058 0.000 1.008 188 Y CA -0.962 57.137 58.100 -0.001 0.000 1.129 188 Y CB 1.224 39.800 38.460 0.194 0.000 1.185 188 Y HN 0.459 nan 8.280 nan 0.000 0.476 189 M N 10.102 129.246 119.600 -0.760 0.000 2.035 189 M HA 0.353 4.836 4.480 0.005 0.000 0.286 189 M C -2.726 173.034 176.300 -0.901 0.000 0.907 189 M CA -1.788 53.049 55.300 -0.771 0.000 0.935 189 M CB 1.922 34.169 32.600 -0.588 0.000 1.557 189 M HN 0.417 nan 8.290 nan 0.000 0.426 190 P HA 0.530 nan 4.420 nan 0.000 0.284 190 P C -1.311 175.632 177.300 -0.596 0.000 1.258 190 P CA -0.266 62.536 63.100 -0.495 0.000 0.824 190 P CB 0.901 32.467 31.700 -0.224 0.000 1.038 191 F N 0.432 120.387 119.950 0.007 0.000 2.565 191 F HA 0.217 4.747 4.527 0.005 0.000 0.313 191 F C 1.327 177.153 175.800 0.044 0.000 1.091 191 F CA -0.453 57.571 58.000 0.040 0.000 0.915 191 F CB 1.823 40.869 39.000 0.077 0.000 1.208 191 F HN 0.274 nan 8.300 nan 0.000 0.453 192 D N 0.275 120.800 120.400 0.208 0.000 2.349 192 D HA 0.007 4.650 4.640 0.005 0.000 0.215 192 D C -0.448 175.925 176.300 0.121 0.000 1.016 192 D CA 0.480 54.556 54.000 0.127 0.000 0.870 192 D CB -0.250 40.597 40.800 0.080 0.000 0.917 192 D HN 0.686 nan 8.370 nan 0.000 0.524 193 N N -1.716 117.081 118.700 0.163 0.000 2.598 193 N HA 0.045 4.788 4.740 0.005 0.000 0.263 193 N C 0.111 175.676 175.510 0.090 0.000 1.254 193 N CA -0.831 52.281 53.050 0.103 0.000 0.863 193 N CB 1.516 40.046 38.487 0.070 0.000 1.586 193 N HN -0.217 nan 8.380 nan 0.000 0.491 194 E N 0.609 120.836 120.200 0.045 0.000 2.110 194 E HA -0.169 4.183 4.350 0.005 0.000 0.193 194 E C 0.770 177.384 176.600 0.024 0.000 0.988 194 E CA 1.221 57.633 56.400 0.019 0.000 0.804 194 E CB 0.091 29.798 29.700 0.011 0.000 0.745 194 E HN 0.602 nan 8.360 nan 0.000 0.458 195 K N 0.335 120.769 120.400 0.056 0.000 2.032 195 K HA -0.169 4.153 4.320 0.005 0.000 0.209 195 K C 2.153 178.869 176.600 0.192 0.000 1.048 195 K CA 1.544 57.947 56.287 0.194 0.000 0.927 195 K CB -0.024 32.557 32.500 0.135 0.000 0.712 195 K HN 0.087 nan 8.250 nan 0.000 0.441 196 E N 1.018 121.280 120.200 0.103 0.000 2.077 196 E HA -0.207 4.146 4.350 0.005 0.000 0.193 196 E C 2.097 178.580 176.600 -0.195 0.000 0.989 196 E CA 0.836 57.284 56.400 0.081 0.000 0.800 196 E CB -0.315 29.524 29.700 0.232 0.000 0.746 196 E HN 0.304 nan 8.360 nan 0.000 0.452 197 L N 0.548 121.482 121.223 -0.482 0.000 1.989 197 L HA -0.196 4.147 4.340 0.005 0.000 0.211 197 L C 2.417 178.993 176.870 -0.490 0.000 1.071 197 L CA 1.211 55.404 54.840 -1.078 0.000 0.749 197 L CB -0.179 41.503 42.059 -0.628 0.000 0.890 197 L HN 0.096 nan 8.230 nan 0.000 0.431 198 L N -1.073 120.032 121.223 -0.196 0.000 2.109 198 L HA -0.202 4.141 4.340 0.005 0.000 0.207 198 L C 2.624 179.425 176.870 -0.116 0.000 1.086 198 L CA 1.156 55.949 54.840 -0.080 0.000 0.760 198 L CB -0.356 41.760 42.059 0.094 0.000 0.910 198 L HN 0.343 nan 8.230 nan 0.000 0.437 199 M N -0.850 118.666 119.600 -0.140 0.000 2.117 199 M HA -0.175 4.308 4.480 0.005 0.000 0.262 199 M C 2.247 178.506 176.300 -0.068 0.000 1.065 199 M CA 1.498 56.685 55.300 -0.188 0.000 1.114 199 M CB -0.271 32.243 32.600 -0.143 0.000 1.361 199 M HN 0.162 nan 8.290 nan 0.000 0.408 200 E N -0.405 119.797 120.200 0.005 0.000 2.106 200 E HA -0.192 4.161 4.350 0.005 0.000 0.192 200 E C 1.769 178.483 176.600 0.190 0.000 0.984 200 E CA 1.270 57.770 56.400 0.166 0.000 0.806 200 E CB -0.484 29.441 29.700 0.375 0.000 0.750 200 E HN 0.526 nan 8.360 nan 0.000 0.458 201 Y N 1.481 121.687 120.300 -0.156 0.000 2.165 201 Y HA -0.178 4.375 4.550 0.005 0.000 0.286 201 Y C 2.224 178.103 175.900 -0.035 0.000 1.155 201 Y CA 1.311 59.196 58.100 -0.359 0.000 1.164 201 Y CB -0.376 37.696 38.460 -0.646 0.000 0.978 201 Y HN -0.056 nan 8.280 nan 0.000 0.513 202 L N -0.157 121.000 121.223 -0.109 0.000 2.046 202 L HA -0.265 4.078 4.340 0.005 0.000 0.208 202 L C 2.055 178.885 176.870 -0.066 0.000 1.077 202 L CA 1.885 56.629 54.840 -0.160 0.000 0.747 202 L CB -0.658 41.277 42.059 -0.206 0.000 0.896 202 L HN 0.313 nan 8.230 nan 0.000 0.432 203 N N -0.497 118.191 118.700 -0.020 0.000 2.120 203 N HA -0.237 4.506 4.740 0.005 0.000 0.188 203 N C 1.797 177.324 175.510 0.028 0.000 1.024 203 N CA 1.168 54.225 53.050 0.011 0.000 0.852 203 N CB -0.163 38.351 38.487 0.046 0.000 1.003 203 N HN 0.196 nan 8.380 nan 0.000 0.424 204 F N 1.230 121.124 119.950 -0.093 0.000 2.102 204 F HA -0.195 4.335 4.527 0.005 0.000 0.298 204 F C 2.225 177.873 175.800 -0.254 0.000 1.105 204 F CA 1.280 59.184 58.000 -0.161 0.000 1.239 204 F CB -0.388 38.565 39.000 -0.080 0.000 0.991 204 F HN 0.191 nan 8.300 nan 0.000 0.474 205 W N 1.903 122.873 121.300 -0.551 0.000 2.338 205 W HA -0.273 4.390 4.660 0.005 0.000 0.304 205 W C 2.369 178.621 176.519 -0.446 0.000 1.212 205 W CA 2.253 59.220 57.345 -0.629 0.000 1.264 205 W CB -0.842 28.290 29.460 -0.546 0.000 1.142 205 W HN 0.316 nan 8.180 nan 0.000 0.512 206 Q N -0.156 119.615 119.800 -0.048 0.000 2.084 206 Q HA -0.249 4.094 4.340 0.005 0.000 0.202 206 Q C 2.275 178.170 176.000 -0.175 0.000 0.978 206 Q CA 1.596 57.357 55.803 -0.070 0.000 0.844 206 Q CB -0.255 28.459 28.738 -0.041 0.000 0.898 206 Q HN 0.192 nan 8.270 nan 0.000 0.426 207 Q N 0.373 120.032 119.800 -0.235 0.000 2.123 207 Q HA -0.045 4.298 4.340 0.005 0.000 0.199 207 Q C 0.248 176.038 176.000 -0.349 0.000 0.966 207 Q CA 1.229 56.883 55.803 -0.248 0.000 0.845 207 Q CB 0.301 28.910 28.738 -0.216 0.000 0.907 207 Q HN 0.242 nan 8.270 nan 0.000 0.439 208 K N 1.112 121.169 120.400 -0.572 0.000 2.877 208 K HA 0.252 4.575 4.320 0.005 0.000 0.176 208 K C -0.938 175.248 176.600 -0.691 0.000 1.075 208 K CA -0.101 55.813 56.287 -0.622 0.000 0.939 208 K CB 1.123 33.115 32.500 -0.847 0.000 1.237 208 K HN -0.129 nan 8.250 nan 0.000 0.607 209 T N 3.235 117.467 114.554 -0.538 0.000 2.799 209 T HA 0.122 4.475 4.350 0.005 0.000 0.296 209 T C -2.299 172.090 174.700 -0.518 0.000 0.947 209 T CA -1.273 60.451 62.100 -0.627 0.000 1.141 209 T CB 0.293 68.954 68.868 -0.346 0.000 0.891 209 T HN 0.101 nan 8.240 nan 0.000 0.533 210 P HA 0.099 nan 4.420 nan 0.000 0.266 210 P C 0.529 177.716 177.300 -0.189 0.000 1.195 210 P CA -0.164 62.709 63.100 -0.379 0.000 0.768 210 P CB 0.638 32.071 31.700 -0.446 0.000 0.838 211 V N 3.354 123.219 119.914 -0.081 0.000 2.403 211 V HA 0.029 4.152 4.120 0.005 0.000 0.239 211 V C 1.043 177.158 176.094 0.034 0.000 1.041 211 V CA 1.179 63.478 62.300 -0.001 0.000 1.051 211 V CB -0.202 31.645 31.823 0.041 0.000 0.704 211 V HN 0.406 nan 8.190 nan 0.000 0.472 212 I N 2.081 122.681 120.570 0.050 0.000 2.315 212 I HA 0.381 4.554 4.170 0.005 0.000 0.291 212 I C -0.637 175.539 176.117 0.097 0.000 1.006 212 I CA -0.371 60.979 61.300 0.084 0.000 1.265 212 I CB 1.100 39.164 38.000 0.106 0.000 1.387 212 I HN 0.093 nan 8.210 nan 0.000 0.475 213 L N 6.845 128.149 121.223 0.135 0.000 2.325 213 L HA 0.631 4.974 4.340 0.005 0.000 0.281 213 L C -0.083 176.952 176.870 0.274 0.000 1.004 213 L CA 0.419 55.374 54.840 0.192 0.000 0.823 213 L CB 1.592 43.780 42.059 0.215 0.000 1.236 213 L HN 0.744 nan 8.230 nan 0.000 0.415 214 T N 2.549 117.298 114.554 0.324 0.000 2.716 214 T HA 0.976 5.329 4.350 0.005 0.000 0.286 214 T C -0.466 174.456 174.700 0.370 0.000 1.052 214 T CA -0.031 62.282 62.100 0.354 0.000 1.024 214 T CB 1.483 70.588 68.868 0.395 0.000 1.349 214 T HN 1.092 nan 8.240 nan 0.000 0.525 215 G N -0.182 108.832 108.800 0.357 0.000 2.339 215 G HA2 0.200 4.163 3.960 0.005 0.000 0.275 215 G HA3 0.200 4.163 3.960 0.005 0.000 0.275 215 G C -2.110 173.015 174.900 0.375 0.000 1.323 215 G CA -0.555 44.724 45.100 0.298 0.000 0.927 215 G HN 0.711 nan 8.290 nan 0.000 0.486 216 W N 1.970 123.323 121.300 0.088 0.000 2.318 216 W HA 0.466 5.129 4.660 0.005 0.000 0.315 216 W C 0.363 176.929 176.519 0.078 0.000 1.033 216 W CA -0.167 57.237 57.345 0.098 0.000 1.275 216 W CB 0.776 30.272 29.460 0.061 0.000 1.250 216 W HN 0.714 nan 8.180 nan 0.000 0.421 217 N N 2.817 121.429 118.700 -0.148 0.000 2.741 217 N HA -0.230 4.513 4.740 0.005 0.000 0.250 217 N C 0.968 176.534 175.510 0.093 0.000 1.115 217 N CA 1.490 54.513 53.050 -0.046 0.000 0.724 217 N CB -1.598 36.911 38.487 0.036 0.000 1.090 217 N HN 0.427 nan 8.380 nan 0.000 0.558 218 V N -2.276 117.685 119.914 0.078 0.000 2.515 218 V HA -0.122 4.001 4.120 0.005 0.000 0.250 218 V C 2.033 178.214 176.094 0.145 0.000 1.058 218 V CA 2.247 64.606 62.300 0.099 0.000 1.064 218 V CB -0.303 31.597 31.823 0.128 0.000 0.675 218 V HN 0.345 nan 8.190 nan 0.000 0.461 219 E N 1.436 121.694 120.200 0.096 0.000 2.107 219 E HA -0.156 4.197 4.350 0.005 0.000 0.191 219 E C 2.249 178.884 176.600 0.058 0.000 0.982 219 E CA 1.447 57.886 56.400 0.065 0.000 0.809 219 E CB -0.038 29.659 29.700 -0.005 0.000 0.756 219 E HN 0.871 nan 8.360 nan 0.000 0.459 220 S N -1.246 114.497 115.700 0.071 0.000 2.486 220 S HA 0.026 4.499 4.470 0.005 0.000 0.220 220 S C 1.402 176.151 174.600 0.250 0.000 1.011 220 S CA -0.097 58.168 58.200 0.110 0.000 0.921 220 S CB 0.077 63.314 63.200 0.062 0.000 0.785 220 S HN 0.358 nan 8.310 nan 0.000 0.517 221 F N 1.212 121.227 119.950 0.109 0.000 2.282 221 F HA 0.601 5.131 4.527 0.005 0.000 0.255 221 F C 2.370 178.268 175.800 0.163 0.000 0.959 221 F CA 0.384 58.480 58.000 0.160 0.000 1.170 221 F CB -0.492 38.608 39.000 0.168 0.000 1.376 221 F HN 0.144 nan 8.300 nan 0.000 0.709 222 A N 1.354 124.193 122.820 0.031 0.000 1.883 222 A HA -0.167 4.156 4.320 0.005 0.000 0.217 222 A C 2.099 179.753 177.584 0.116 0.000 1.186 222 A CA 2.358 54.339 52.037 -0.093 0.000 0.624 222 A CB -1.388 17.458 19.000 -0.256 0.000 0.822 222 A HN 0.533 nan 8.150 nan 0.000 0.444 223 I N 0.259 120.976 120.570 0.245 0.000 2.142 223 I HA -0.150 4.022 4.170 0.005 0.000 0.240 223 I C -0.441 175.764 176.117 0.147 0.000 1.078 223 I CA 1.527 62.998 61.300 0.284 0.000 1.343 223 I CB -1.056 37.104 38.000 0.267 0.000 1.046 223 I HN 0.253 nan 8.210 nan 0.000 0.405 224 P HA -0.217 nan 4.420 nan 0.000 0.217 224 P C 1.551 178.867 177.300 0.026 0.000 1.150 224 P CA 1.669 64.802 63.100 0.056 0.000 0.832 224 P CB -0.162 31.563 31.700 0.041 0.000 0.787 225 Y N 0.872 121.064 120.300 -0.180 0.000 2.114 225 Y HA -0.185 4.368 4.550 0.005 0.000 0.284 225 Y C 2.424 178.256 175.900 -0.113 0.000 1.143 225 Y CA 1.341 59.291 58.100 -0.251 0.000 1.135 225 Y CB -0.967 37.110 38.460 -0.638 0.000 0.980 225 Y HN -0.311 nan 8.280 nan 0.000 0.499 226 V N -0.565 119.433 119.914 0.140 0.000 2.287 226 V HA -0.349 3.774 4.120 0.005 0.000 0.248 226 V C 2.017 178.127 176.094 0.027 0.000 1.053 226 V CA 2.299 64.661 62.300 0.104 0.000 1.027 226 V CB -1.098 30.806 31.823 0.135 0.000 0.646 226 V HN 0.567 nan 8.190 nan 0.000 0.447 227 Y N 1.590 121.850 120.300 -0.068 0.000 2.145 227 Y HA -0.238 4.315 4.550 0.005 0.000 0.286 227 Y C 2.574 178.414 175.900 -0.100 0.000 1.145 227 Y CA 2.167 60.213 58.100 -0.090 0.000 1.148 227 Y CB -0.259 38.159 38.460 -0.071 0.000 0.981 227 Y HN 0.272 nan 8.280 nan 0.000 0.507 228 N N 0.120 118.810 118.700 -0.016 0.000 2.244 228 N HA -0.141 4.602 4.740 0.005 0.000 0.183 228 N C 1.911 177.278 175.510 -0.239 0.000 1.016 228 N CA 1.120 54.087 53.050 -0.138 0.000 0.866 228 N CB -0.364 38.047 38.487 -0.126 0.000 0.980 228 N HN 0.260 nan 8.380 nan 0.000 0.430 229 R N 1.390 121.731 120.500 -0.265 0.000 2.066 229 R HA 0.126 4.469 4.340 0.005 0.000 0.232 229 R C 2.129 178.357 176.300 -0.120 0.000 1.131 229 R CA 0.942 56.919 56.100 -0.205 0.000 0.955 229 R CB -0.666 29.571 30.300 -0.105 0.000 0.851 229 R HN 0.183 nan 8.270 nan 0.000 0.432 230 I N 0.465 120.983 120.570 -0.087 0.000 2.226 230 I HA -0.270 3.903 4.170 0.005 0.000 0.245 230 I C 2.394 178.483 176.117 -0.046 0.000 1.100 230 I CA 1.437 62.750 61.300 0.021 0.000 1.374 230 I CB -0.316 37.658 38.000 -0.045 0.000 1.057 230 I HN 0.233 nan 8.210 nan 0.000 0.413 231 K N 1.050 121.308 120.400 -0.237 0.000 2.063 231 K HA -0.214 4.109 4.320 0.005 0.000 0.208 231 K C 1.935 178.444 176.600 -0.151 0.000 1.048 231 K CA 1.743 57.885 56.287 -0.243 0.000 0.928 231 K CB -0.004 32.286 32.500 -0.350 0.000 0.713 231 K HN 0.227 nan 8.250 nan 0.000 0.442 232 N N 0.619 119.223 118.700 -0.160 0.000 2.166 232 N HA -0.122 4.621 4.740 0.005 0.000 0.186 232 N C 1.755 177.156 175.510 -0.182 0.000 1.019 232 N CA 1.293 54.251 53.050 -0.153 0.000 0.856 232 N CB -0.072 38.319 38.487 -0.161 0.000 0.993 232 N HN 0.275 nan 8.380 nan 0.000 0.426 233 I N -1.415 119.010 120.570 -0.241 0.000 2.400 233 I HA -0.063 4.110 4.170 0.005 0.000 0.248 233 I C 0.923 176.706 176.117 -0.556 0.000 1.109 233 I CA 0.872 61.895 61.300 -0.462 0.000 1.425 233 I CB 0.046 37.639 38.000 -0.679 0.000 1.094 233 I HN -0.033 nan 8.210 nan 0.000 0.425 234 F N 0.107 119.993 119.950 -0.108 0.000 2.712 234 F HA 0.450 4.980 4.527 0.005 0.000 0.297 234 F C 1.110 176.849 175.800 -0.101 0.000 1.114 234 F CA 0.311 58.253 58.000 -0.098 0.000 1.305 234 F CB 0.593 39.530 39.000 -0.104 0.000 1.086 234 F HN 0.048 nan 8.300 nan 0.000 0.599 235 G N 0.731 109.551 108.800 0.033 0.000 2.555 235 G HA2 -0.164 3.799 3.960 0.005 0.000 0.686 235 G HA3 -0.164 3.799 3.960 0.005 0.000 0.686 235 G C 0.177 175.037 174.900 -0.068 0.000 1.275 235 G CA -0.447 44.639 45.100 -0.023 0.000 0.871 235 G HN 0.141 nan 8.290 nan 0.000 0.603 236 E N -0.210 119.943 120.200 -0.079 0.000 2.070 236 E HA -0.235 4.118 4.350 0.005 0.000 0.197 236 E C 2.904 179.449 176.600 -0.092 0.000 1.004 236 E CA 2.187 58.528 56.400 -0.099 0.000 0.805 236 E CB -0.138 29.541 29.700 -0.035 0.000 0.744 236 E HN 0.755 nan 8.360 nan 0.000 0.451 237 S N 0.007 115.672 115.700 -0.058 0.000 2.383 237 S HA -0.133 4.340 4.470 0.005 0.000 0.227 237 S C 2.089 176.642 174.600 -0.079 0.000 1.026 237 S CA 1.591 59.760 58.200 -0.052 0.000 0.981 237 S CB -0.445 62.732 63.200 -0.038 0.000 0.818 237 S HN 0.104 nan 8.310 nan 0.000 0.472 238 T N 2.519 117.015 114.554 -0.097 0.000 2.777 238 T HA 0.178 4.531 4.350 0.005 0.000 0.266 238 T C 2.228 176.813 174.700 -0.191 0.000 1.040 238 T CA 1.243 63.253 62.100 -0.149 0.000 1.141 238 T CB -0.788 67.984 68.868 -0.160 0.000 0.868 238 T HN 0.628 nan 8.240 nan 0.000 0.444 239 A N 1.778 124.456 122.820 -0.236 0.000 1.972 239 A HA -0.087 4.236 4.320 0.005 0.000 0.219 239 A C 2.147 179.618 177.584 -0.188 0.000 1.169 239 A CA 1.294 53.096 52.037 -0.391 0.000 0.635 239 A CB -0.402 18.067 19.000 -0.884 0.000 0.810 239 A HN 0.431 nan 8.150 nan 0.000 0.446 240 K N -0.553 119.814 120.400 -0.056 0.000 2.504 240 K HA -0.001 4.322 4.320 0.005 0.000 0.195 240 K C 1.689 178.286 176.600 -0.005 0.000 1.036 240 K CA 0.420 56.758 56.287 0.084 0.000 0.984 240 K CB -0.065 32.476 32.500 0.067 0.000 0.788 240 K HN 0.406 nan 8.250 nan 0.000 0.488 241 R N 0.540 120.989 120.500 -0.084 0.000 2.285 241 R HA -0.016 4.327 4.340 0.005 0.000 0.213 241 R C 1.723 177.931 176.300 -0.152 0.000 1.068 241 R CA 0.511 56.548 56.100 -0.104 0.000 1.004 241 R CB -0.180 30.037 30.300 -0.138 0.000 0.873 241 R HN 0.171 nan 8.270 nan 0.000 0.467 242 L N 0.046 121.127 121.223 -0.235 0.000 2.362 242 L HA -0.041 4.302 4.340 0.005 0.000 0.219 242 L C 1.134 178.039 176.870 0.059 0.000 1.134 242 L CA 0.438 55.025 54.840 -0.423 0.000 0.807 242 L CB -0.081 41.708 42.059 -0.451 0.000 0.927 242 L HN 0.003 nan 8.230 nan 0.000 0.447 243 S N -0.092 115.646 115.700 0.063 0.000 2.480 243 S HA 0.280 4.753 4.470 0.005 0.000 0.286 243 S C -1.485 173.112 174.600 -0.004 0.000 1.180 243 S CA -1.657 56.590 58.200 0.078 0.000 1.075 243 S CB 1.185 64.436 63.200 0.085 0.000 0.996 243 S HN -0.090 nan 8.310 nan 0.000 0.487 244 P HA -0.063 nan 4.420 nan 0.000 0.225 244 P C 0.268 177.401 177.300 -0.279 0.000 1.148 244 P CA 1.082 64.047 63.100 -0.225 0.000 0.779 244 P CB -0.088 31.400 31.700 -0.354 0.000 0.780 245 H N -0.635 118.410 119.070 -0.042 0.000 2.542 245 H HA 0.271 4.830 4.556 0.005 0.000 0.283 245 H C 0.548 175.745 175.328 -0.218 0.000 1.059 245 H CA -0.235 55.680 56.048 -0.222 0.000 1.162 245 H CB 0.170 29.648 29.762 -0.474 0.000 1.539 245 H HN -0.046 nan 8.280 nan 0.000 0.543 246 R N 0.419 120.893 120.500 -0.042 0.000 3.641 246 R HA -0.195 4.148 4.340 0.005 0.000 0.286 246 R C 0.072 176.330 176.300 -0.069 0.000 1.153 246 R CA 0.510 56.584 56.100 -0.043 0.000 0.775 246 R CB -2.207 28.065 30.300 -0.047 0.000 1.215 246 R HN 0.438 nan 8.270 nan 0.000 0.474 247 K N 0.914 121.269 120.400 -0.075 0.000 2.426 247 K HA 0.420 4.743 4.320 0.005 0.000 0.254 247 K C -0.429 176.195 176.600 0.040 0.000 0.936 247 K CA -0.140 56.041 56.287 -0.177 0.000 0.801 247 K CB 1.584 33.744 32.500 -0.567 0.000 1.139 247 K HN 0.166 nan 8.250 nan 0.000 0.424 248 T N 0.818 115.403 114.554 0.051 0.000 2.896 248 T HA 0.742 5.095 4.350 0.005 0.000 0.297 248 T C -1.126 173.637 174.700 0.105 0.000 1.108 248 T CA -1.110 61.072 62.100 0.135 0.000 1.004 248 T CB 1.604 70.440 68.868 -0.054 0.000 1.159 248 T HN 0.718 nan 8.240 nan 0.000 0.499 249 R N -0.185 120.379 120.500 0.106 0.000 2.668 249 R HA 0.706 5.049 4.340 0.005 0.000 0.272 249 R C -1.693 174.580 176.300 -0.044 0.000 1.019 249 R CA -0.979 55.152 56.100 0.052 0.000 0.894 249 R CB 0.803 31.191 30.300 0.146 0.000 1.228 249 R HN 0.479 nan 8.270 nan 0.000 0.460 250 V N 2.908 122.793 119.914 -0.048 0.000 2.479 250 V HA 0.203 4.326 4.120 0.005 0.000 0.281 250 V C 0.180 176.251 176.094 -0.039 0.000 1.031 250 V CA 0.015 62.280 62.300 -0.059 0.000 1.038 250 V CB 0.651 32.454 31.823 -0.032 0.000 0.981 250 V HN 0.668 nan 8.190 nan 0.000 0.478 251 K N 4.580 124.948 120.400 -0.054 0.000 2.235 251 K HA 0.552 4.875 4.320 0.005 0.000 0.266 251 K C -0.588 175.979 176.600 -0.054 0.000 0.980 251 K CA -0.688 55.566 56.287 -0.054 0.000 0.849 251 K CB 1.765 34.221 32.500 -0.073 0.000 1.098 251 K HN 0.598 nan 8.250 nan 0.000 0.445 252 V N 3.542 123.426 119.914 -0.051 0.000 2.408 252 V HA 0.355 4.477 4.120 0.005 0.000 0.267 252 V C 0.026 176.080 176.094 -0.067 0.000 1.047 252 V CA -0.759 61.511 62.300 -0.049 0.000 0.937 252 V CB 0.517 32.316 31.823 -0.039 0.000 0.999 252 V HN 0.516 nan 8.190 nan 0.000 0.472 253 I N 4.538 125.066 120.570 -0.070 0.000 2.291 253 I HA 0.429 4.602 4.170 0.005 0.000 0.292 253 I C 0.614 176.682 176.117 -0.081 0.000 1.064 253 I CA 0.002 61.248 61.300 -0.089 0.000 1.269 253 I CB 0.446 38.386 38.000 -0.100 0.000 1.418 253 I HN 0.776 nan 8.210 nan 0.000 0.485 254 E N 5.681 125.827 120.200 -0.090 0.000 2.227 254 E HA 0.279 4.632 4.350 0.005 0.000 0.282 254 E C -0.311 176.231 176.600 -0.097 0.000 1.015 254 E CA -0.417 55.934 56.400 -0.082 0.000 0.823 254 E CB 1.506 31.159 29.700 -0.079 0.000 1.081 254 E HN 0.670 nan 8.360 nan 0.000 0.396 255 N N 1.584 120.230 118.700 -0.091 0.000 2.890 255 N HA 0.231 4.974 4.740 0.005 0.000 0.317 255 N C 0.412 175.824 175.510 -0.164 0.000 1.355 255 N CA -0.771 52.210 53.050 -0.116 0.000 0.803 255 N CB 0.810 39.243 38.487 -0.090 0.000 1.465 255 N HN 0.340 nan 8.380 nan 0.000 0.591 256 M N -1.222 118.207 119.600 -0.285 0.000 2.279 256 M HA 0.035 4.518 4.480 0.005 0.000 0.264 256 M C -0.402 175.530 176.300 -0.613 0.000 1.062 256 M CA 1.421 56.406 55.300 -0.526 0.000 1.099 256 M CB 0.002 32.121 32.600 -0.801 0.000 1.394 256 M HN 0.599 nan 8.290 nan 0.000 0.426 257 Y N 0.090 120.380 120.300 -0.017 0.000 2.525 257 Y HA 0.537 5.090 4.550 0.005 0.000 0.365 257 Y C 0.398 176.286 175.900 -0.020 0.000 0.929 257 Y CA -0.364 57.727 58.100 -0.015 0.000 1.196 257 Y CB 0.153 38.608 38.460 -0.008 0.000 1.232 257 Y HN 0.286 nan 8.280 nan 0.000 0.613 258 G N 0.611 109.448 108.800 0.061 0.000 2.373 258 G HA2 0.225 4.188 3.960 0.005 0.000 0.634 258 G HA3 0.225 4.188 3.960 0.005 0.000 0.634 258 G C -0.927 173.972 174.900 -0.002 0.000 1.267 258 G CA -0.565 44.555 45.100 0.034 0.000 1.008 258 G HN 0.730 nan 8.290 nan 0.000 0.497 259 S N -1.241 114.457 115.700 -0.004 0.000 2.607 259 S HA 0.920 5.393 4.470 0.005 0.000 0.273 259 S C -0.505 174.088 174.600 -0.012 0.000 1.148 259 S CA 0.075 58.263 58.200 -0.019 0.000 0.833 259 S CB 2.386 65.571 63.200 -0.025 0.000 1.130 259 S HN 1.804 nan 8.310 nan 0.000 0.470 260 R N 0.251 120.738 120.500 -0.021 0.000 2.836 260 R HA 0.713 5.056 4.340 0.005 0.000 0.269 260 R C -1.472 174.818 176.300 -0.017 0.000 1.010 260 R CA -0.959 55.135 56.100 -0.009 0.000 0.930 260 R CB 1.411 31.705 30.300 -0.010 0.000 1.218 260 R HN 0.700 nan 8.270 nan 0.000 0.473 261 E N 1.706 121.905 120.200 -0.002 0.000 2.183 261 E HA 0.439 4.792 4.350 0.005 0.000 0.271 261 E C -0.425 176.167 176.600 -0.013 0.000 0.919 261 E CA -0.883 55.510 56.400 -0.012 0.000 0.781 261 E CB 2.246 31.945 29.700 -0.002 0.000 1.140 261 E HN 0.529 nan 8.360 nan 0.000 0.402 262 I N -1.336 119.212 120.570 -0.038 0.000 3.067 262 I HA 0.549 4.722 4.170 0.005 0.000 0.312 262 I C -0.844 175.226 176.117 -0.079 0.000 1.073 262 I CA -1.226 60.048 61.300 -0.044 0.000 1.016 262 I CB 1.539 39.507 38.000 -0.052 0.000 1.227 262 I HN 0.283 nan 8.210 nan 0.000 0.456 263 I N 2.182 122.691 120.570 -0.102 0.000 2.339 263 I HA 0.279 4.452 4.170 0.005 0.000 0.290 263 I C -0.065 175.969 176.117 -0.139 0.000 0.994 263 I CA -0.180 61.004 61.300 -0.194 0.000 1.191 263 I CB 1.069 38.861 38.000 -0.348 0.000 1.343 263 I HN 0.650 nan 8.210 nan 0.000 0.458 264 T N 7.780 122.256 114.554 -0.129 0.000 2.729 264 T HA 0.449 4.802 4.350 0.005 0.000 0.296 264 T C 0.374 175.036 174.700 -0.063 0.000 0.928 264 T CA -0.294 61.734 62.100 -0.121 0.000 1.045 264 T CB 0.380 69.140 68.868 -0.180 0.000 0.902 264 T HN 0.259 nan 8.240 nan 0.000 0.500 265 L N 4.615 125.817 121.223 -0.035 0.000 2.272 265 L HA 0.426 4.769 4.340 0.005 0.000 0.284 265 L C -0.180 176.741 176.870 0.084 0.000 1.045 265 L CA -0.835 54.045 54.840 0.066 0.000 0.842 265 L CB 0.059 42.177 42.059 0.098 0.000 1.224 265 L HN 0.542 nan 8.230 nan 0.000 0.430 266 F N 2.228 122.188 119.950 0.017 0.000 2.578 266 F HA 0.256 4.786 4.527 0.005 0.000 0.376 266 F C 1.526 177.377 175.800 0.085 0.000 1.085 266 F CA 1.270 59.310 58.000 0.066 0.000 1.260 266 F CB 0.638 39.675 39.000 0.062 0.000 1.095 266 F HN 0.735 nan 8.300 nan 0.000 0.573 267 G N 3.180 112.139 108.800 0.265 0.000 2.157 267 G HA2 -0.260 3.703 3.960 0.005 0.000 0.248 267 G HA3 -0.260 3.703 3.960 0.005 0.000 0.248 267 G C -0.172 174.771 174.900 0.071 0.000 0.979 267 G CA -0.135 45.068 45.100 0.172 0.000 0.650 267 G HN 0.557 nan 8.290 nan 0.000 0.529 268 I N 0.627 121.244 120.570 0.077 0.000 2.689 268 I HA 0.515 4.687 4.170 0.005 0.000 0.299 268 I C -0.243 175.913 176.117 0.065 0.000 1.059 268 I CA -0.915 60.430 61.300 0.075 0.000 1.055 268 I CB 2.355 40.428 38.000 0.120 0.000 1.243 268 I HN 0.000 nan 8.210 nan 0.000 0.425 269 S N 3.978 119.721 115.700 0.071 0.000 2.532 269 S HA 0.347 4.820 4.470 0.005 0.000 0.318 269 S C -0.300 174.360 174.600 0.099 0.000 1.083 269 S CA -0.520 57.721 58.200 0.068 0.000 1.131 269 S CB 0.973 64.205 63.200 0.053 0.000 0.973 269 S HN 0.271 nan 8.310 nan 0.000 0.468 270 V N 5.816 125.797 119.914 0.111 0.000 2.427 270 V HA 0.267 4.390 4.120 0.005 0.000 0.268 270 V C -0.064 176.144 176.094 0.189 0.000 1.046 270 V CA -0.138 62.254 62.300 0.153 0.000 0.970 270 V CB 0.327 32.231 31.823 0.136 0.000 1.001 270 V HN 0.713 nan 8.190 nan 0.000 0.476 271 L N 4.281 125.634 121.223 0.216 0.000 2.435 271 L HA 0.405 4.748 4.340 0.005 0.000 0.253 271 L C 0.082 177.109 176.870 0.261 0.000 1.087 271 L CA -0.516 54.488 54.840 0.274 0.000 0.950 271 L CB 0.979 43.149 42.059 0.185 0.000 1.304 271 L HN 0.513 nan 8.230 nan 0.000 0.453 272 D N 0.660 121.179 120.400 0.198 0.000 2.472 272 D HA -0.131 4.511 4.640 0.005 0.000 0.248 272 D C 0.749 177.119 176.300 0.116 0.000 1.174 272 D CA 0.470 54.544 54.000 0.124 0.000 0.883 272 D CB 0.788 41.575 40.800 -0.022 0.000 1.149 272 D HN 0.320 nan 8.370 nan 0.000 0.488 273 Y N 3.666 124.030 120.300 0.106 0.000 2.333 273 Y HA -0.129 4.424 4.550 0.005 0.000 0.290 273 Y C 2.194 178.057 175.900 -0.062 0.000 1.144 273 Y CA 0.911 59.124 58.100 0.189 0.000 1.228 273 Y CB -0.008 38.692 38.460 0.400 0.000 0.985 273 Y HN 0.587 nan 8.280 nan 0.000 0.542 274 I N -0.443 119.837 120.570 -0.483 0.000 2.361 274 I HA -0.326 3.846 4.170 0.005 0.000 0.251 274 I C 1.493 177.378 176.117 -0.387 0.000 1.133 274 I CA 1.765 62.541 61.300 -0.873 0.000 1.413 274 I CB -0.112 37.169 38.000 -1.198 0.000 1.073 274 I HN 0.203 nan 8.210 nan 0.000 0.424 275 D N 0.331 120.553 120.400 -0.297 0.000 2.183 275 D HA -0.070 4.573 4.640 0.005 0.000 0.205 275 D C 2.324 178.564 176.300 -0.100 0.000 0.962 275 D CA 0.922 54.747 54.000 -0.293 0.000 0.849 275 D CB -0.113 40.387 40.800 -0.499 0.000 0.978 275 D HN 0.349 nan 8.370 nan 0.000 0.488 276 L N 0.027 121.245 121.223 -0.008 0.000 2.012 276 L HA -0.224 4.119 4.340 0.005 0.000 0.210 276 L C 2.520 179.171 176.870 -0.364 0.000 1.073 276 L CA 1.188 55.922 54.840 -0.176 0.000 0.748 276 L CB -0.533 41.361 42.059 -0.274 0.000 0.891 276 L HN 0.049 nan 8.230 nan 0.000 0.431 277 Y N 0.983 121.154 120.300 -0.215 0.000 2.145 277 Y HA -0.287 4.266 4.550 0.005 0.000 0.286 277 Y C 2.632 178.465 175.900 -0.112 0.000 1.145 277 Y CA 1.723 59.850 58.100 0.044 0.000 1.148 277 Y CB -0.046 38.663 38.460 0.414 0.000 0.981 277 Y HN -0.004 nan 8.280 nan 0.000 0.507 278 K N -0.038 120.313 120.400 -0.081 0.000 2.097 278 K HA -0.217 4.106 4.320 0.005 0.000 0.206 278 K C 2.198 178.547 176.600 -0.418 0.000 1.049 278 K CA 1.714 57.859 56.287 -0.237 0.000 0.933 278 K CB -0.139 32.151 32.500 -0.350 0.000 0.717 278 K HN 0.238 nan 8.250 nan 0.000 0.442 279 K N 0.012 120.082 120.400 -0.549 0.000 2.076 279 K HA -0.036 4.286 4.320 0.005 0.000 0.204 279 K C 1.359 177.456 176.600 -0.837 0.000 1.051 279 K CA 1.142 56.974 56.287 -0.759 0.000 0.949 279 K CB 0.166 32.079 32.500 -0.978 0.000 0.726 279 K HN 0.070 nan 8.250 nan 0.000 0.443 280 F N -0.206 119.355 119.950 -0.648 0.000 2.720 280 F HA 0.066 4.596 4.527 0.005 0.000 0.301 280 F C 2.167 177.709 175.800 -0.431 0.000 1.103 280 F CA -0.163 57.433 58.000 -0.672 0.000 1.291 280 F CB 0.642 38.946 39.000 -1.160 0.000 1.086 280 F HN 0.081 nan 8.300 nan 0.000 0.592 281 S N -0.176 115.325 115.700 -0.332 0.000 2.470 281 S HA -0.111 4.362 4.470 0.005 0.000 0.225 281 S C 0.717 175.412 174.600 0.158 0.000 1.006 281 S CA -0.006 58.173 58.200 -0.035 0.000 0.934 281 S CB -0.941 61.849 63.200 -0.683 0.000 0.778 281 S HN 0.321 nan 8.310 nan 0.000 0.517 282 F N 2.585 122.482 119.950 -0.089 0.000 2.969 282 F HA -0.190 4.340 4.527 0.005 0.000 0.273 282 F C 0.685 176.475 175.800 -0.016 0.000 0.986 282 F CA 0.809 58.788 58.000 -0.035 0.000 0.926 282 F CB -2.319 36.684 39.000 0.005 0.000 0.887 282 F HN 0.538 nan 8.300 nan 0.000 0.816 283 T N -2.877 111.689 114.554 0.021 0.000 2.916 283 T HA 0.679 5.032 4.350 0.005 0.000 0.292 283 T C -0.689 174.026 174.700 0.025 0.000 1.064 283 T CA -1.027 61.090 62.100 0.028 0.000 1.011 283 T CB 2.498 71.353 68.868 -0.021 0.000 1.152 283 T HN 0.113 nan 8.240 nan 0.000 0.510 284 N N 1.485 120.195 118.700 0.017 0.000 2.491 284 N HA 0.277 5.020 4.740 0.005 0.000 0.274 284 N C -1.065 174.411 175.510 -0.056 0.000 1.023 284 N CA -0.444 52.629 53.050 0.037 0.000 0.902 284 N CB 1.469 39.967 38.487 0.017 0.000 1.267 284 N HN 0.541 nan 8.380 nan 0.000 0.503 285 Q N 2.844 122.546 119.800 -0.164 0.000 2.222 285 Q HA 0.402 4.745 4.340 0.005 0.000 0.252 285 Q C -1.653 174.085 176.000 -0.437 0.000 0.926 285 Q CA -1.634 53.915 55.803 -0.423 0.000 0.899 285 Q CB 1.452 29.710 28.738 -0.799 0.000 1.250 285 Q HN 0.416 nan 8.270 nan 0.000 0.441 286 P HA -0.060 nan 4.420 nan 0.000 0.223 286 P C 0.124 177.019 177.300 -0.676 0.000 1.151 286 P CA 0.973 63.797 63.100 -0.460 0.000 0.787 286 P CB 0.498 31.983 31.700 -0.358 0.000 0.788 287 S N -2.206 112.910 115.700 -0.975 0.000 2.541 287 S HA 0.432 4.905 4.470 0.005 0.000 0.271 287 S C -1.176 173.018 174.600 -0.677 0.000 1.133 287 S CA -0.538 57.187 58.200 -0.791 0.000 0.876 287 S CB 0.471 63.116 63.200 -0.925 0.000 1.105 287 S HN -0.137 nan 8.310 nan 0.000 0.470 288 Y N 2.137 122.369 120.300 -0.115 0.000 2.696 288 Y HA 0.298 4.851 4.550 0.005 0.000 0.260 288 Y C 1.232 177.320 175.900 0.314 0.000 1.165 288 Y CA -0.286 57.888 58.100 0.123 0.000 1.189 288 Y CB 0.462 38.971 38.460 0.082 0.000 1.180 288 Y HN 0.697 nan 8.280 nan 0.000 0.538 289 S N -0.251 115.590 115.700 0.234 0.000 2.560 289 S HA -0.018 4.455 4.470 0.005 0.000 0.284 289 S C 1.237 175.856 174.600 0.030 0.000 1.327 289 S CA -0.571 57.751 58.200 0.204 0.000 1.055 289 S CB 1.109 64.364 63.200 0.091 0.000 0.868 289 S HN 0.445 nan 8.310 nan 0.000 0.506 290 L N 1.986 123.035 121.223 -0.291 0.000 2.127 290 L HA -0.042 4.301 4.340 0.005 0.000 0.211 290 L C 1.896 178.495 176.870 -0.452 0.000 1.089 290 L CA 2.156 56.463 54.840 -0.889 0.000 0.757 290 L CB -1.223 40.262 42.059 -0.958 0.000 0.899 290 L HN 0.964 nan 8.230 nan 0.000 0.434 291 D N -2.055 118.215 120.400 -0.216 0.000 2.104 291 D HA -0.298 4.345 4.640 0.005 0.000 0.194 291 D C 2.040 178.285 176.300 -0.093 0.000 0.994 291 D CA 1.578 55.498 54.000 -0.135 0.000 0.830 291 D CB -0.217 40.554 40.800 -0.049 0.000 0.959 291 D HN 0.493 nan 8.370 nan 0.000 0.452 292 Y N 0.382 120.600 120.300 -0.137 0.000 2.145 292 Y HA -0.145 4.408 4.550 0.005 0.000 0.286 292 Y C 1.983 177.820 175.900 -0.105 0.000 1.145 292 Y CA 1.212 59.252 58.100 -0.099 0.000 1.148 292 Y CB -0.017 38.381 38.460 -0.104 0.000 0.981 292 Y HN 0.034 nan 8.280 nan 0.000 0.507 293 I N -0.155 120.394 120.570 -0.036 0.000 2.315 293 I HA -0.247 3.926 4.170 0.005 0.000 0.248 293 I C 2.570 178.604 176.117 -0.138 0.000 1.117 293 I CA 1.741 62.962 61.300 -0.132 0.000 1.404 293 I CB -1.784 36.011 38.000 -0.342 0.000 1.071 293 I HN 0.348 nan 8.210 nan 0.000 0.419 294 S N 0.781 116.336 115.700 -0.241 0.000 2.368 294 S HA -0.194 4.279 4.470 0.005 0.000 0.225 294 S C 1.815 176.333 174.600 -0.137 0.000 1.030 294 S CA 1.077 59.154 58.200 -0.205 0.000 0.999 294 S CB -0.611 62.435 63.200 -0.256 0.000 0.844 294 S HN 0.475 nan 8.310 nan 0.000 0.459 295 E N 0.630 120.739 120.200 -0.152 0.000 2.058 295 E HA -0.086 4.267 4.350 0.005 0.000 0.194 295 E C 1.753 178.283 176.600 -0.116 0.000 0.997 295 E CA 1.453 57.761 56.400 -0.154 0.000 0.801 295 E CB -0.348 29.220 29.700 -0.219 0.000 0.746 295 E HN 0.619 nan 8.360 nan 0.000 0.450 296 F N 1.697 121.500 119.950 -0.245 0.000 2.102 296 F HA -0.199 4.331 4.527 0.005 0.000 0.298 296 F C 2.159 177.926 175.800 -0.054 0.000 1.105 296 F CA 1.376 59.285 58.000 -0.152 0.000 1.239 296 F CB 0.252 39.187 39.000 -0.109 0.000 0.991 296 F HN -0.090 nan 8.300 nan 0.000 0.474 297 E N -0.012 120.278 120.200 0.149 0.000 2.170 297 E HA 0.015 4.368 4.350 0.005 0.000 0.191 297 E C 2.000 178.588 176.600 -0.021 0.000 0.981 297 E CA 1.073 57.539 56.400 0.109 0.000 0.830 297 E CB 0.036 29.851 29.700 0.191 0.000 0.775 297 E HN 0.471 nan 8.360 nan 0.000 0.470 298 L N -0.257 120.934 121.223 -0.054 0.000 2.878 298 L HA 0.216 4.559 4.340 0.005 0.000 0.253 298 L C 0.413 177.241 176.870 -0.069 0.000 1.135 298 L CA -0.226 54.580 54.840 -0.057 0.000 0.943 298 L CB 0.189 42.195 42.059 -0.088 0.000 1.307 298 L HN -0.028 nan 8.230 nan 0.000 0.545 299 N N 1.092 119.734 118.700 -0.097 0.000 2.714 299 N HA -0.160 4.583 4.740 0.005 0.000 0.250 299 N C -0.239 175.216 175.510 -0.092 0.000 1.117 299 N CA 0.891 53.880 53.050 -0.101 0.000 0.719 299 N CB -1.155 37.279 38.487 -0.089 0.000 1.081 299 N HN 0.283 nan 8.380 nan 0.000 0.557 300 V N -2.222 117.633 119.914 -0.099 0.000 2.686 300 V HA 0.872 4.995 4.120 0.005 0.000 0.295 300 V C 1.517 177.552 176.094 -0.099 0.000 1.057 300 V CA -0.259 61.983 62.300 -0.096 0.000 1.012 300 V CB 1.418 33.177 31.823 -0.106 0.000 1.006 300 V HN 0.249 nan 8.190 nan 0.000 0.477 301 G N 1.986 110.735 108.800 -0.084 0.000 2.569 301 G HA2 0.286 4.249 3.960 0.005 0.000 0.249 301 G HA3 0.286 4.249 3.960 0.005 0.000 0.249 301 G C -0.129 174.713 174.900 -0.096 0.000 1.216 301 G CA -0.666 44.387 45.100 -0.078 0.000 0.845 301 G HN 1.138 nan 8.290 nan 0.000 0.568 302 K N 0.519 120.869 120.400 -0.083 0.000 2.489 302 K HA 0.063 4.386 4.320 0.005 0.000 0.278 302 K C 0.230 176.764 176.600 -0.110 0.000 1.000 302 K CA -0.210 56.024 56.287 -0.089 0.000 1.012 302 K CB 0.156 32.623 32.500 -0.056 0.000 0.903 302 K HN 0.286 nan 8.250 nan 0.000 0.485 303 L N 5.834 126.947 121.223 -0.184 0.000 2.515 303 L HA 0.078 4.421 4.340 0.005 0.000 0.281 303 L C 0.081 176.944 176.870 -0.012 0.000 1.131 303 L CA 0.136 54.766 54.840 -0.350 0.000 0.905 303 L CB 0.125 41.719 42.059 -0.775 0.000 1.246 303 L HN 0.545 nan 8.230 nan 0.000 0.463 304 K N 4.582 125.073 120.400 0.152 0.000 2.172 304 K HA 0.511 4.834 4.320 0.005 0.000 0.276 304 K C -1.022 175.832 176.600 0.423 0.000 1.013 304 K CA -0.406 55.986 56.287 0.175 0.000 0.913 304 K CB 1.181 33.742 32.500 0.102 0.000 1.055 304 K HN 0.362 nan 8.250 nan 0.000 0.461 305 Y N -1.613 118.818 120.300 0.219 0.000 2.609 305 Y HA 0.395 4.948 4.550 0.005 0.000 0.336 305 Y C -1.200 174.762 175.900 0.104 0.000 1.129 305 Y CA -1.569 56.626 58.100 0.158 0.000 1.040 305 Y CB 1.112 39.675 38.460 0.173 0.000 1.310 305 Y HN 0.350 nan 8.280 nan 0.000 0.460 306 D N 1.234 121.773 120.400 0.232 0.000 2.210 306 D HA 0.499 5.142 4.640 0.005 0.000 0.249 306 D C 0.548 176.970 176.300 0.204 0.000 1.062 306 D CA 1.294 55.377 54.000 0.139 0.000 0.891 306 D CB 1.544 42.402 40.800 0.096 0.000 1.186 306 D HN 1.175 nan 8.370 nan 0.000 0.432 307 G N 2.074 110.954 108.800 0.133 0.000 2.828 307 G HA2 -0.139 3.824 3.960 0.005 0.000 0.463 307 G HA3 -0.139 3.824 3.960 0.005 0.000 0.463 307 G C -2.624 172.405 174.900 0.213 0.000 1.394 307 G CA -1.024 44.160 45.100 0.140 0.000 0.862 307 G HN 0.460 nan 8.290 nan 0.000 0.540 308 P HA 0.334 nan 4.420 nan 0.000 0.274 308 P C 1.206 178.645 177.300 0.231 0.000 1.237 308 P CA -0.723 62.494 63.100 0.195 0.000 0.793 308 P CB 0.810 32.576 31.700 0.109 0.000 0.977 309 I N 1.544 122.264 120.570 0.249 0.000 2.454 309 I HA -0.197 3.976 4.170 0.005 0.000 0.254 309 I C 1.922 178.079 176.117 0.066 0.000 1.156 309 I CA 1.927 63.314 61.300 0.145 0.000 1.433 309 I CB -0.910 37.178 38.000 0.148 0.000 1.082 309 I HN 0.392 nan 8.210 nan 0.000 0.432 310 S N -0.414 115.306 115.700 0.033 0.000 2.515 310 S HA -0.083 4.390 4.470 0.005 0.000 0.231 310 S C 1.584 176.141 174.600 -0.072 0.000 0.987 310 S CA 0.532 58.702 58.200 -0.050 0.000 0.936 310 S CB -0.163 62.993 63.200 -0.074 0.000 0.766 310 S HN 0.459 nan 8.310 nan 0.000 0.528 311 K N -0.387 119.998 120.400 -0.024 0.000 2.438 311 K HA 0.366 4.689 4.320 0.005 0.000 0.206 311 K C 1.108 177.684 176.600 -0.039 0.000 1.081 311 K CA -0.149 56.119 56.287 -0.032 0.000 1.053 311 K CB 0.231 32.734 32.500 0.005 0.000 0.908 311 K HN 0.151 nan 8.250 nan 0.000 0.556 312 L N 1.898 123.095 121.223 -0.043 0.000 2.056 312 L HA -0.055 4.288 4.340 0.005 0.000 0.207 312 L C 2.294 179.066 176.870 -0.164 0.000 1.078 312 L CA 1.769 56.581 54.840 -0.047 0.000 0.749 312 L CB -0.298 41.738 42.059 -0.039 0.000 0.901 312 L HN 0.073 nan 8.230 nan 0.000 0.433 313 R N -0.494 119.701 120.500 -0.509 0.000 2.083 313 R HA -0.232 4.111 4.340 0.005 0.000 0.237 313 R C 2.340 178.512 176.300 -0.214 0.000 1.137 313 R CA 1.958 57.641 56.100 -0.695 0.000 0.951 313 R CB -0.336 29.315 30.300 -1.081 0.000 0.851 313 R HN 0.600 nan 8.270 nan 0.000 0.434 314 E N -0.131 119.976 120.200 -0.155 0.000 2.077 314 E HA -0.167 4.186 4.350 0.005 0.000 0.193 314 E C 1.783 178.369 176.600 -0.023 0.000 0.989 314 E CA 1.724 58.086 56.400 -0.062 0.000 0.800 314 E CB 0.036 29.712 29.700 -0.040 0.000 0.746 314 E HN 0.497 nan 8.360 nan 0.000 0.452 315 S N -0.344 115.345 115.700 -0.019 0.000 2.406 315 S HA -0.020 4.453 4.470 0.005 0.000 0.224 315 S C 1.096 175.710 174.600 0.022 0.000 1.030 315 S CA 0.383 58.589 58.200 0.009 0.000 0.958 315 S CB 0.243 63.456 63.200 0.021 0.000 0.811 315 S HN 0.094 nan 8.310 nan 0.000 0.489 316 N N 0.503 119.216 118.700 0.021 0.000 2.716 316 N HA 0.148 4.891 4.740 0.005 0.000 0.245 316 N C 0.113 175.663 175.510 0.068 0.000 1.495 316 N CA -0.282 52.790 53.050 0.036 0.000 0.759 316 N CB 0.167 38.660 38.487 0.011 0.000 1.261 316 N HN 0.470 nan 8.380 nan 0.000 0.515 317 H N 0.752 119.832 119.070 0.016 0.000 2.387 317 H HA -0.143 4.416 4.556 0.005 0.000 0.299 317 H C 1.266 176.705 175.328 0.185 0.000 1.090 317 H CA 1.888 57.984 56.048 0.080 0.000 1.332 317 H CB 0.669 30.471 29.762 0.066 0.000 1.386 317 H HN 0.454 nan 8.280 nan 0.000 0.516 318 Q N 1.465 121.295 119.800 0.049 0.000 2.014 318 Q HA -0.213 4.130 4.340 0.005 0.000 0.207 318 Q C 2.642 178.669 176.000 0.046 0.000 0.993 318 Q CA 2.409 58.246 55.803 0.056 0.000 0.850 318 Q CB -0.412 28.330 28.738 0.007 0.000 0.916 318 Q HN 0.422 nan 8.270 nan 0.000 0.417 319 R N -1.471 118.984 120.500 -0.075 0.000 2.092 319 R HA -0.170 4.173 4.340 0.005 0.000 0.231 319 R C 2.235 178.344 176.300 -0.318 0.000 1.119 319 R CA 1.355 57.276 56.100 -0.299 0.000 0.970 319 R CB -0.615 29.444 30.300 -0.402 0.000 0.864 319 R HN 0.456 nan 8.270 nan 0.000 0.440 320 Y N 0.740 120.876 120.300 -0.273 0.000 2.114 320 Y HA -0.277 4.276 4.550 0.005 0.000 0.282 320 Y C 1.808 177.614 175.900 -0.156 0.000 1.165 320 Y CA 1.799 59.779 58.100 -0.201 0.000 1.148 320 Y CB -0.059 38.334 38.460 -0.113 0.000 0.972 320 Y HN 0.047 nan 8.280 nan 0.000 0.504 321 I N -1.007 119.484 120.570 -0.132 0.000 2.233 321 I HA -0.244 3.929 4.170 0.005 0.000 0.243 321 I C 2.477 178.410 176.117 -0.308 0.000 1.093 321 I CA 1.460 62.578 61.300 -0.304 0.000 1.380 321 I CB -1.620 36.070 38.000 -0.517 0.000 1.067 321 I HN 0.151 nan 8.210 nan 0.000 0.413 322 S N 0.061 115.701 115.700 -0.101 0.000 2.374 322 S HA -0.211 4.262 4.470 0.005 0.000 0.227 322 S C 2.064 176.768 174.600 0.174 0.000 1.037 322 S CA 1.414 59.675 58.200 0.101 0.000 1.024 322 S CB -0.465 62.890 63.200 0.260 0.000 0.861 322 S HN 0.433 nan 8.310 nan 0.000 0.456 323 Y N 1.507 121.759 120.300 -0.080 0.000 2.314 323 Y HA -0.074 4.479 4.550 0.005 0.000 0.293 323 Y C 2.761 178.583 175.900 -0.129 0.000 1.129 323 Y CA 0.490 58.538 58.100 -0.087 0.000 1.201 323 Y CB -0.218 38.190 38.460 -0.088 0.000 0.999 323 Y HN 0.386 nan 8.280 nan 0.000 0.541 324 N N 1.152 119.827 118.700 -0.041 0.000 2.120 324 N HA -0.195 4.548 4.740 0.005 0.000 0.188 324 N C 1.673 177.172 175.510 -0.019 0.000 1.024 324 N CA 1.242 54.239 53.050 -0.087 0.000 0.852 324 N CB -0.152 38.232 38.487 -0.172 0.000 1.003 324 N HN 0.309 nan 8.380 nan 0.000 0.424 325 I N 0.938 121.475 120.570 -0.056 0.000 2.252 325 I HA -0.228 3.945 4.170 0.005 0.000 0.245 325 I C 2.172 178.278 176.117 -0.018 0.000 1.102 325 I CA 0.837 62.103 61.300 -0.055 0.000 1.385 325 I CB -0.146 37.731 38.000 -0.205 0.000 1.064 325 I HN 0.138 nan 8.210 nan 0.000 0.414 326 I N 0.722 121.292 120.570 -0.001 0.000 2.286 326 I HA -0.279 3.894 4.170 0.005 0.000 0.248 326 I C 2.783 178.913 176.117 0.022 0.000 1.115 326 I CA 1.216 62.532 61.300 0.026 0.000 1.392 326 I CB -0.478 37.525 38.000 0.004 0.000 1.065 326 I HN 0.182 nan 8.210 nan 0.000 0.418 327 A N 0.509 123.324 122.820 -0.009 0.000 1.908 327 A HA -0.178 4.145 4.320 0.005 0.000 0.218 327 A C 2.439 180.039 177.584 0.028 0.000 1.181 327 A CA 2.014 54.031 52.037 -0.033 0.000 0.627 327 A CB -1.007 17.974 19.000 -0.031 0.000 0.818 327 A HN 0.246 nan 8.150 nan 0.000 0.445 328 V N -1.525 118.465 119.914 0.127 0.000 2.295 328 V HA -0.258 3.865 4.120 0.005 0.000 0.246 328 V C 2.374 178.626 176.094 0.263 0.000 1.049 328 V CA 2.070 64.508 62.300 0.230 0.000 1.024 328 V CB -1.034 31.018 31.823 0.383 0.000 0.648 328 V HN 0.688 nan 8.190 nan 0.000 0.447 329 Y N 1.506 121.887 120.300 0.135 0.000 2.181 329 Y HA -0.188 4.364 4.550 0.005 0.000 0.288 329 Y C 2.677 178.559 175.900 -0.029 0.000 1.146 329 Y CA 1.432 59.583 58.100 0.085 0.000 1.164 329 Y CB -0.332 38.104 38.460 -0.041 0.000 0.982 329 Y HN 0.086 nan 8.280 nan 0.000 0.515 330 R N -0.176 120.232 120.500 -0.153 0.000 2.103 330 R HA -0.145 4.198 4.340 0.005 0.000 0.242 330 R C 2.381 178.500 176.300 -0.301 0.000 1.142 330 R CA 1.520 57.446 56.100 -0.289 0.000 0.960 330 R CB -1.499 28.651 30.300 -0.250 0.000 0.858 330 R HN 0.351 nan 8.270 nan 0.000 0.439 331 V N 1.576 121.359 119.914 -0.219 0.000 2.343 331 V HA -0.204 3.919 4.120 0.005 0.000 0.247 331 V C 2.501 178.402 176.094 -0.322 0.000 1.051 331 V CA 1.511 63.656 62.300 -0.258 0.000 1.036 331 V CB -0.531 31.241 31.823 -0.086 0.000 0.654 331 V HN 0.179 nan 8.190 nan 0.000 0.451 332 L N -0.615 120.478 121.223 -0.217 0.000 2.083 332 L HA -0.225 4.118 4.340 0.005 0.000 0.209 332 L C 2.686 179.410 176.870 -0.243 0.000 1.083 332 L CA 1.587 56.309 54.840 -0.198 0.000 0.752 332 L CB -0.615 41.351 42.059 -0.155 0.000 0.899 332 L HN 0.359 nan 8.230 nan 0.000 0.433 333 Q N -0.027 119.546 119.800 -0.378 0.000 2.079 333 Q HA -0.179 4.163 4.340 0.005 0.000 0.200 333 Q C 2.366 178.235 176.000 -0.218 0.000 0.974 333 Q CA 1.443 57.036 55.803 -0.350 0.000 0.840 333 Q CB -0.102 28.340 28.738 -0.493 0.000 0.898 333 Q HN 0.526 nan 8.270 nan 0.000 0.430 334 I N 0.696 121.127 120.570 -0.231 0.000 2.226 334 I HA -0.278 3.895 4.170 0.005 0.000 0.245 334 I C 1.968 178.013 176.117 -0.120 0.000 1.100 334 I CA 1.347 62.562 61.300 -0.141 0.000 1.374 334 I CB -0.206 37.719 38.000 -0.124 0.000 1.057 334 I HN 0.201 nan 8.210 nan 0.000 0.413 335 D N 0.772 121.053 120.400 -0.198 0.000 2.144 335 D HA -0.138 4.505 4.640 0.005 0.000 0.200 335 D C 2.184 178.454 176.300 -0.051 0.000 0.978 335 D CA 1.282 55.255 54.000 -0.044 0.000 0.833 335 D CB 0.078 40.883 40.800 0.008 0.000 0.961 335 D HN 0.290 nan 8.370 nan 0.000 0.470 336 A N 0.450 123.226 122.820 -0.073 0.000 1.940 336 A HA -0.234 4.089 4.320 0.005 0.000 0.219 336 A C 2.111 179.649 177.584 -0.076 0.000 1.176 336 A CA 1.781 53.787 52.037 -0.053 0.000 0.631 336 A CB -0.570 18.407 19.000 -0.039 0.000 0.814 336 A HN 0.248 nan 8.150 nan 0.000 0.446 337 K N -1.337 119.006 120.400 -0.096 0.000 2.005 337 K HA -0.062 4.261 4.320 0.005 0.000 0.206 337 K C 2.205 178.707 176.600 -0.164 0.000 1.044 337 K CA 0.771 56.987 56.287 -0.117 0.000 0.942 337 K CB -0.128 32.320 32.500 -0.088 0.000 0.727 337 K HN 0.217 nan 8.250 nan 0.000 0.439 338 R N 0.553 120.908 120.500 -0.241 0.000 2.127 338 R HA 0.040 4.383 4.340 0.005 0.000 0.217 338 R C 0.375 176.355 176.300 -0.532 0.000 1.074 338 R CA 0.659 56.446 56.100 -0.522 0.000 0.991 338 R CB -0.212 29.465 30.300 -1.038 0.000 0.895 338 R HN 0.407 nan 8.270 nan 0.000 0.450 339 Q N -0.588 119.039 119.800 -0.289 0.000 2.478 339 Q HA -0.173 4.170 4.340 0.005 0.000 0.286 339 Q C 0.052 176.052 176.000 -0.000 0.000 1.299 339 Q CA 0.315 56.054 55.803 -0.107 0.000 0.826 339 Q CB -1.608 27.071 28.738 -0.097 0.000 1.199 339 Q HN 0.172 nan 8.270 nan 0.000 0.451 340 F N -0.709 119.304 119.950 0.104 0.000 2.259 340 F HA -0.015 4.515 4.527 0.005 0.000 0.298 340 F C 2.069 177.834 175.800 -0.060 0.000 1.088 340 F CA 0.739 58.721 58.000 -0.030 0.000 1.358 340 F CB -0.240 38.762 39.000 0.003 0.000 1.040 340 F HN 0.247 nan 8.300 nan 0.000 0.505 341 I N -0.193 120.526 120.570 0.248 0.000 2.286 341 I HA -0.277 3.896 4.170 0.005 0.000 0.245 341 I C 2.259 178.416 176.117 0.068 0.000 1.104 341 I CA 1.387 62.784 61.300 0.162 0.000 1.397 341 I CB -0.553 37.587 38.000 0.234 0.000 1.072 341 I HN 0.129 nan 8.210 nan 0.000 0.417 342 N N 1.579 120.312 118.700 0.055 0.000 2.069 342 N HA -0.241 4.502 4.740 0.005 0.000 0.191 342 N C 1.873 177.376 175.510 -0.012 0.000 1.031 342 N CA 1.324 54.391 53.050 0.028 0.000 0.852 342 N CB -0.174 38.304 38.487 -0.015 0.000 1.018 342 N HN 0.197 nan 8.380 nan 0.000 0.423 343 L N 0.250 121.423 121.223 -0.084 0.000 2.012 343 L HA -0.073 4.270 4.340 0.005 0.000 0.210 343 L C 2.079 178.798 176.870 -0.252 0.000 1.073 343 L CA 1.741 56.454 54.840 -0.212 0.000 0.748 343 L CB -0.943 40.900 42.059 -0.359 0.000 0.891 343 L HN 0.131 nan 8.230 nan 0.000 0.431 344 S N -0.403 115.154 115.700 -0.238 0.000 2.368 344 S HA -0.133 4.339 4.470 0.005 0.000 0.225 344 S C 1.921 176.400 174.600 -0.203 0.000 1.030 344 S CA 1.641 59.709 58.200 -0.219 0.000 0.999 344 S CB -0.485 62.620 63.200 -0.158 0.000 0.844 344 S HN 0.449 nan 8.310 nan 0.000 0.459 345 L N 1.307 122.426 121.223 -0.174 0.000 2.017 345 L HA -0.159 4.184 4.340 0.005 0.000 0.208 345 L C 2.289 179.027 176.870 -0.221 0.000 1.073 345 L CA 1.234 55.899 54.840 -0.292 0.000 0.745 345 L CB -0.760 41.138 42.059 -0.269 0.000 0.894 345 L HN 0.177 nan 8.230 nan 0.000 0.432 346 D N -0.050 120.345 120.400 -0.008 0.000 2.106 346 D HA -0.223 4.420 4.640 0.005 0.000 0.191 346 D C 2.318 178.658 176.300 0.066 0.000 0.997 346 D CA 1.631 55.714 54.000 0.138 0.000 0.834 346 D CB -0.129 40.717 40.800 0.076 0.000 0.956 346 D HN 0.271 nan 8.370 nan 0.000 0.448 347 M N -0.345 119.222 119.600 -0.054 0.000 2.200 347 M HA 0.023 4.506 4.480 0.005 0.000 0.265 347 M C 2.326 178.613 176.300 -0.022 0.000 1.066 347 M CA 1.309 56.577 55.300 -0.053 0.000 1.127 347 M CB -0.332 32.185 32.600 -0.137 0.000 1.379 347 M HN 0.014 nan 8.290 nan 0.000 0.420 348 G N -0.408 108.319 108.800 -0.121 0.000 2.421 348 G HA2 -0.219 3.744 3.960 0.005 0.000 0.216 348 G HA3 -0.219 3.744 3.960 0.005 0.000 0.216 348 G C 1.122 175.955 174.900 -0.112 0.000 1.171 348 G CA 0.740 45.737 45.100 -0.170 0.000 0.775 348 G HN 0.328 nan 8.290 nan 0.000 0.543 349 Y N -0.946 119.321 120.300 -0.054 0.000 2.314 349 Y HA 0.022 4.575 4.550 0.005 0.000 0.293 349 Y C 2.392 178.329 175.900 0.061 0.000 1.129 349 Y CA 0.403 58.476 58.100 -0.046 0.000 1.201 349 Y CB -0.622 37.713 38.460 -0.209 0.000 0.999 349 Y HN 0.316 nan 8.280 nan 0.000 0.541 350 Y N 0.112 120.480 120.300 0.113 0.000 2.181 350 Y HA -0.195 4.358 4.550 0.005 0.000 0.288 350 Y C 2.366 178.287 175.900 0.035 0.000 1.146 350 Y CA 1.526 59.665 58.100 0.064 0.000 1.164 350 Y CB -0.396 38.074 38.460 0.017 0.000 0.982 350 Y HN 0.014 nan 8.280 nan 0.000 0.515 351 A N -0.246 122.615 122.820 0.069 0.000 2.123 351 A HA 0.063 4.386 4.320 0.005 0.000 0.214 351 A C 0.900 178.497 177.584 0.021 0.000 1.152 351 A CA 0.655 52.685 52.037 -0.010 0.000 0.728 351 A CB -0.372 18.631 19.000 0.005 0.000 0.814 351 A HN 0.438 nan 8.150 nan 0.000 0.464 352 K N -0.502 119.950 120.400 0.086 0.000 3.372 352 K HA -0.150 4.173 4.320 0.005 0.000 0.272 352 K C -0.365 176.262 176.600 0.046 0.000 1.037 352 K CA 0.918 57.286 56.287 0.134 0.000 0.777 352 K CB -2.088 30.465 32.500 0.089 0.000 1.347 352 K HN 0.811 nan 8.250 nan 0.000 0.460 353 I N -3.296 117.304 120.570 0.051 0.000 2.957 353 I HA 0.319 4.492 4.170 0.005 0.000 0.310 353 I C 0.249 176.359 176.117 -0.013 0.000 1.063 353 I CA -1.475 59.821 61.300 -0.007 0.000 1.033 353 I CB 1.386 39.388 38.000 0.003 0.000 1.230 353 I HN -0.005 nan 8.210 nan 0.000 0.447 354 Q N 1.950 121.730 119.800 -0.032 0.000 2.304 354 Q HA 0.083 4.426 4.340 0.005 0.000 0.301 354 Q C 0.908 176.895 176.000 -0.021 0.000 1.063 354 Q CA -0.217 55.587 55.803 0.000 0.000 0.947 354 Q CB 1.129 29.861 28.738 -0.011 0.000 1.201 354 Q HN 0.535 nan 8.270 nan 0.000 0.389 355 I N 2.435 122.980 120.570 -0.042 0.000 2.264 355 I HA -0.312 3.861 4.170 0.005 0.000 0.248 355 I C 2.450 178.513 176.117 -0.090 0.000 1.111 355 I CA 1.572 62.795 61.300 -0.128 0.000 1.382 355 I CB -1.262 36.633 38.000 -0.176 0.000 1.060 355 I HN 0.773 nan 8.210 nan 0.000 0.418 356 Q N 0.400 120.189 119.800 -0.019 0.000 2.439 356 Q HA -0.099 4.244 4.340 0.005 0.000 0.211 356 Q C 1.702 177.746 176.000 0.073 0.000 0.978 356 Q CA 1.243 57.078 55.803 0.054 0.000 0.897 356 Q CB -0.768 28.036 28.738 0.109 0.000 0.956 356 Q HN 0.337 nan 8.270 nan 0.000 0.483 357 S N 1.367 117.072 115.700 0.008 0.000 2.561 357 S HA -0.026 4.447 4.470 0.005 0.000 0.225 357 S C 1.893 176.485 174.600 -0.013 0.000 0.977 357 S CA 0.731 58.941 58.200 0.017 0.000 0.926 357 S CB -0.212 62.989 63.200 0.003 0.000 0.769 357 S HN 0.511 nan 8.310 nan 0.000 0.533 358 V N -1.382 118.472 119.914 -0.099 0.000 2.867 358 V HA -0.079 4.044 4.120 0.005 0.000 0.260 358 V C 1.578 177.593 176.094 -0.132 0.000 1.099 358 V CA 1.433 63.656 62.300 -0.129 0.000 1.122 358 V CB -1.275 30.448 31.823 -0.166 0.000 0.708 358 V HN 0.365 nan 8.190 nan 0.000 0.490 359 F N 1.540 121.464 119.950 -0.045 0.000 2.451 359 F HA 0.172 4.702 4.527 0.005 0.000 0.299 359 F C 1.772 177.509 175.800 -0.106 0.000 1.101 359 F CA 1.228 59.148 58.000 -0.134 0.000 1.436 359 F CB -0.304 38.598 39.000 -0.164 0.000 1.074 359 F HN 0.295 nan 8.300 nan 0.000 0.553 360 S N 1.379 117.137 115.700 0.096 0.000 2.601 360 S HA 0.289 4.762 4.470 0.005 0.000 0.312 360 S C -1.613 173.025 174.600 0.063 0.000 1.107 360 S CA -1.723 56.514 58.200 0.063 0.000 1.129 360 S CB 0.929 64.159 63.200 0.050 0.000 0.982 360 S HN -0.191 nan 8.310 nan 0.000 0.469 361 P HA -0.047 nan 4.420 nan 0.000 0.220 361 P C 1.418 178.835 177.300 0.195 0.000 1.148 361 P CA 0.855 64.028 63.100 0.121 0.000 0.803 361 P CB 0.095 31.897 31.700 0.170 0.000 0.782 362 I N -0.131 120.531 120.570 0.154 0.000 2.202 362 I HA -0.234 3.939 4.170 0.005 0.000 0.242 362 I C 2.584 178.887 176.117 0.309 0.000 1.091 362 I CA 1.454 62.882 61.300 0.213 0.000 1.368 362 I CB -0.443 37.686 38.000 0.214 0.000 1.058 362 I HN -0.098 nan 8.210 nan 0.000 0.410 363 K N 0.954 121.469 120.400 0.193 0.000 2.057 363 K HA -0.144 4.179 4.320 0.005 0.000 0.207 363 K C 1.956 178.647 176.600 0.152 0.000 1.049 363 K CA 1.986 58.368 56.287 0.158 0.000 0.931 363 K CB -0.614 31.934 32.500 0.080 0.000 0.714 363 K HN 0.201 nan 8.250 nan 0.000 0.440 364 T N -0.530 114.077 114.554 0.088 0.000 2.708 364 T HA -0.142 4.211 4.350 0.005 0.000 0.266 364 T C 1.534 176.234 174.700 -0.000 0.000 1.037 364 T CA 1.779 63.863 62.100 -0.027 0.000 1.146 364 T CB -0.467 68.297 68.868 -0.173 0.000 0.865 364 T HN 0.407 nan 8.240 nan 0.000 0.435 365 W N 1.256 122.680 121.300 0.207 0.000 2.388 365 W HA -0.020 4.643 4.660 0.005 0.000 0.294 365 W C 2.316 179.068 176.519 0.388 0.000 1.212 365 W CA 0.390 57.902 57.345 0.278 0.000 1.271 365 W CB -0.275 29.334 29.460 0.248 0.000 1.126 365 W HN 0.265 nan 8.180 nan 0.000 0.535 366 D N 0.080 120.869 120.400 0.649 0.000 2.123 366 D HA -0.208 4.435 4.640 0.005 0.000 0.196 366 D C 2.171 178.720 176.300 0.416 0.000 0.992 366 D CA 2.076 56.391 54.000 0.525 0.000 0.833 366 D CB -0.341 40.682 40.800 0.372 0.000 0.954 366 D HN 0.024 nan 8.370 nan 0.000 0.455 367 A N -0.156 122.857 122.820 0.322 0.000 1.897 367 A HA -0.039 4.284 4.320 0.005 0.000 0.215 367 A C 2.443 180.186 177.584 0.265 0.000 1.181 367 A CA 0.892 53.114 52.037 0.308 0.000 0.620 367 A CB -0.657 18.458 19.000 0.192 0.000 0.821 367 A HN 0.329 nan 8.150 nan 0.000 0.443 368 I N -0.281 120.412 120.570 0.205 0.000 2.179 368 I HA -0.275 3.898 4.170 0.005 0.000 0.242 368 I C 2.285 178.524 176.117 0.205 0.000 1.088 368 I CA 1.475 62.863 61.300 0.147 0.000 1.357 368 I CB -0.309 37.780 38.000 0.148 0.000 1.051 368 I HN 0.296 nan 8.210 nan 0.000 0.409 369 I N 0.012 120.776 120.570 0.323 0.000 2.252 369 I HA -0.309 3.864 4.170 0.005 0.000 0.245 369 I C 2.495 178.743 176.117 0.218 0.000 1.102 369 I CA 1.465 62.906 61.300 0.235 0.000 1.385 369 I CB -0.395 37.716 38.000 0.185 0.000 1.064 369 I HN 0.183 nan 8.210 nan 0.000 0.414 370 F N 2.043 122.094 119.950 0.169 0.000 2.069 370 F HA -0.295 4.235 4.527 0.005 0.000 0.298 370 F C 2.424 178.279 175.800 0.091 0.000 1.113 370 F CA 1.805 59.885 58.000 0.134 0.000 1.214 370 F CB -0.368 38.715 39.000 0.138 0.000 0.978 370 F HN 0.057 nan 8.300 nan 0.000 0.474 371 N N 0.069 118.549 118.700 -0.367 0.000 2.149 371 N HA -0.210 4.533 4.740 0.005 0.000 0.188 371 N C 2.101 177.461 175.510 -0.250 0.000 1.019 371 N CA 1.444 54.219 53.050 -0.458 0.000 0.857 371 N CB -0.425 37.923 38.487 -0.232 0.000 0.997 371 N HN 0.373 nan 8.380 nan 0.000 0.426 372 S N 0.951 116.585 115.700 -0.110 0.000 2.345 372 S HA 0.025 4.498 4.470 0.005 0.000 0.220 372 S C 2.123 176.692 174.600 -0.052 0.000 1.031 372 S CA 0.645 58.814 58.200 -0.052 0.000 0.996 372 S CB -0.141 63.065 63.200 0.010 0.000 0.882 372 S HN 0.192 nan 8.310 nan 0.000 0.445 373 L N 1.237 122.437 121.223 -0.039 0.000 2.056 373 L HA -0.059 4.284 4.340 0.005 0.000 0.207 373 L C 2.646 179.499 176.870 -0.028 0.000 1.078 373 L CA 1.577 56.410 54.840 -0.012 0.000 0.749 373 L CB -0.504 41.579 42.059 0.040 0.000 0.901 373 L HN 0.345 nan 8.230 nan 0.000 0.433 374 K N 0.575 120.907 120.400 -0.114 0.000 2.074 374 K HA -0.286 4.037 4.320 0.005 0.000 0.209 374 K C 2.008 178.584 176.600 -0.041 0.000 1.048 374 K CA 1.845 58.068 56.287 -0.108 0.000 0.926 374 K CB -0.006 32.281 32.500 -0.355 0.000 0.713 374 K HN 0.062 nan 8.250 nan 0.000 0.444 375 E N 0.372 120.531 120.200 -0.068 0.000 2.267 375 E HA -0.161 4.191 4.350 0.005 0.000 0.197 375 E C 1.063 177.666 176.600 0.006 0.000 0.998 375 E CA 1.234 57.618 56.400 -0.026 0.000 0.830 375 E CB 0.175 29.855 29.700 -0.034 0.000 0.751 375 E HN 0.329 nan 8.360 nan 0.000 0.491 376 Q N -0.098 119.709 119.800 0.011 0.000 2.220 376 Q HA 0.159 4.502 4.340 0.005 0.000 0.205 376 Q C -0.111 175.925 176.000 0.059 0.000 0.865 376 Q CA -0.031 55.787 55.803 0.025 0.000 0.960 376 Q CB 0.396 29.143 28.738 0.014 0.000 1.097 376 Q HN 0.219 nan 8.270 nan 0.000 0.493 377 N N 1.031 119.781 118.700 0.084 0.000 2.714 377 N HA -0.173 4.570 4.740 0.005 0.000 0.250 377 N C -0.692 174.927 175.510 0.181 0.000 1.117 377 N CA 0.960 54.105 53.050 0.159 0.000 0.719 377 N CB -0.961 37.575 38.487 0.082 0.000 1.081 377 N HN 0.371 nan 8.380 nan 0.000 0.557 378 K N 0.023 120.485 120.400 0.103 0.000 2.098 378 K HA 0.595 4.918 4.320 0.005 0.000 0.261 378 K C 0.112 176.702 176.600 -0.018 0.000 0.987 378 K CA -0.556 55.775 56.287 0.074 0.000 0.916 378 K CB 1.713 34.246 32.500 0.055 0.000 1.039 378 K HN -0.164 nan 8.250 nan 0.000 0.455 379 V N 4.069 123.934 119.914 -0.081 0.000 2.448 379 V HA 0.299 4.422 4.120 0.005 0.000 0.295 379 V C 0.105 176.170 176.094 -0.048 0.000 1.025 379 V CA -0.987 61.170 62.300 -0.237 0.000 0.859 379 V CB 1.199 32.698 31.823 -0.541 0.000 0.988 379 V HN 0.665 nan 8.190 nan 0.000 0.431 380 I N 4.243 124.834 120.570 0.036 0.000 2.638 380 I HA 0.512 4.685 4.170 0.005 0.000 0.286 380 I C -2.129 174.020 176.117 0.054 0.000 1.088 380 I CA -1.724 59.645 61.300 0.114 0.000 1.397 380 I CB 1.162 39.281 38.000 0.198 0.000 1.414 380 I HN 0.380 nan 8.210 nan 0.000 0.566 381 P HA 0.066 nan 4.420 nan 0.000 0.274 381 P C -1.146 176.134 177.300 -0.033 0.000 1.246 381 P CA -0.287 62.832 63.100 0.032 0.000 0.795 381 P CB 0.701 32.437 31.700 0.061 0.000 1.006 382 Q N 0.392 120.191 119.800 -0.002 0.000 2.352 382 Q HA 0.346 4.689 4.340 0.005 0.000 0.260 382 Q C 0.434 176.396 176.000 -0.064 0.000 0.976 382 Q CA -0.386 55.401 55.803 -0.027 0.000 0.881 382 Q CB 0.243 28.975 28.738 -0.010 0.000 1.235 382 Q HN 0.603 nan 8.270 nan 0.000 0.419 383 G N 3.672 112.425 108.800 -0.078 0.000 2.398 383 G HA2 0.178 4.141 3.960 0.005 0.000 0.246 383 G HA3 0.178 4.141 3.960 0.005 0.000 0.246 383 G C -0.556 174.299 174.900 -0.075 0.000 1.289 383 G CA -0.464 44.595 45.100 -0.070 0.000 0.869 383 G HN 0.535 nan 8.290 nan 0.000 0.543 384 R N 1.316 121.757 120.500 -0.098 0.000 2.873 384 R HA 0.476 4.819 4.340 0.005 0.000 0.264 384 R C -0.341 175.650 176.300 -0.515 0.000 1.026 384 R CA -0.839 55.097 56.100 -0.272 0.000 1.002 384 R CB 1.590 31.707 30.300 -0.306 0.000 1.174 384 R HN 0.450 nan 8.270 nan 0.000 0.488 385 S N 1.637 117.015 115.700 -0.537 0.000 2.545 385 S HA 0.298 4.770 4.470 0.005 0.000 0.275 385 S C -0.484 173.629 174.600 -0.811 0.000 1.299 385 S CA -0.316 57.544 58.200 -0.568 0.000 1.048 385 S CB 0.203 63.197 63.200 -0.343 0.000 0.938 385 S HN 0.344 nan 8.310 nan 0.000 0.496 386 H N 2.309 121.161 119.070 -0.363 0.000 2.806 386 H HA 0.362 4.921 4.556 0.005 0.000 0.367 386 H C -2.582 172.558 175.328 -0.313 0.000 1.136 386 H CA -1.682 54.179 56.048 -0.311 0.000 1.178 386 H CB 1.300 30.782 29.762 -0.466 0.000 1.718 386 H HN 0.417 nan 8.280 nan 0.000 0.540 387 P HA 0.061 nan 4.420 nan 0.000 0.275 387 P C 0.086 177.358 177.300 -0.047 0.000 1.227 387 P CA -0.451 62.612 63.100 -0.061 0.000 0.781 387 P CB 1.081 32.774 31.700 -0.012 0.000 0.906 388 V N 4.186 124.069 119.914 -0.052 0.000 2.529 388 V HA 0.021 4.144 4.120 0.005 0.000 0.292 388 V C 0.749 176.882 176.094 0.065 0.000 1.028 388 V CA 0.538 62.838 62.300 0.000 0.000 1.074 388 V CB -0.500 31.328 31.823 0.010 0.000 0.958 388 V HN 0.545 nan 8.190 nan 0.000 0.481 389 Q N 5.276 125.156 119.800 0.133 0.000 2.347 389 Q HA 0.456 4.798 4.340 0.005 0.000 0.271 389 Q C -2.589 173.532 176.000 0.201 0.000 1.064 389 Q CA -1.826 54.064 55.803 0.145 0.000 0.800 389 Q CB 2.587 31.412 28.738 0.146 0.000 1.304 389 Q HN 0.521 nan 8.270 nan 0.000 0.438 390 P HA 0.084 nan 4.420 nan 0.000 0.272 390 P C -1.508 175.923 177.300 0.219 0.000 1.223 390 P CA 0.058 63.237 63.100 0.132 0.000 0.784 390 P CB 0.239 31.978 31.700 0.065 0.000 0.923 391 Y N -0.673 119.657 120.300 0.049 0.000 2.597 391 Y HA 0.712 5.265 4.550 0.005 0.000 0.340 391 Y C -2.844 173.083 175.900 0.046 0.000 1.097 391 Y CA -2.951 55.171 58.100 0.036 0.000 1.037 391 Y CB -0.284 38.187 38.460 0.018 0.000 1.305 391 Y HN 0.227 nan 8.280 nan 0.000 0.463 392 P HA 0.450 nan 4.420 nan 0.000 0.274 392 P C -0.278 177.059 177.300 0.062 0.000 1.231 392 P CA 0.108 63.251 63.100 0.071 0.000 0.790 392 P CB 1.691 33.460 31.700 0.115 0.000 0.951 393 G N -0.047 108.783 108.800 0.050 0.000 3.247 393 G HA2 0.603 4.566 3.960 0.005 0.000 0.163 393 G HA3 0.603 4.566 3.960 0.005 0.000 0.163 393 G C -0.654 174.354 174.900 0.180 0.000 1.206 393 G CA -0.178 44.983 45.100 0.102 0.000 0.918 393 G HN 0.726 nan 8.290 nan 0.000 0.625 394 A N -0.883 122.057 122.820 0.199 0.000 2.287 394 A HA 0.617 4.940 4.320 0.005 0.000 0.273 394 A C -0.950 176.769 177.584 0.225 0.000 1.091 394 A CA -0.383 51.796 52.037 0.235 0.000 0.817 394 A CB 0.466 19.589 19.000 0.205 0.000 1.069 394 A HN 0.738 nan 8.150 nan 0.000 0.492 395 F N 1.135 121.146 119.950 0.101 0.000 2.404 395 F HA 0.574 5.104 4.527 0.005 0.000 0.339 395 F C -0.530 175.298 175.800 0.046 0.000 1.105 395 F CA -0.443 57.601 58.000 0.074 0.000 1.087 395 F CB 1.410 40.455 39.000 0.075 0.000 1.143 395 F HN 0.266 nan 8.300 nan 0.000 0.491 396 V N 6.264 125.659 119.914 -0.865 0.000 2.483 396 V HA 0.288 4.411 4.120 0.005 0.000 0.297 396 V C -0.406 175.061 176.094 -1.045 0.000 1.027 396 V CA -1.252 60.632 62.300 -0.693 0.000 0.855 396 V CB 1.513 33.182 31.823 -0.257 0.000 0.995 396 V HN 0.746 nan 8.190 nan 0.000 0.424 397 K N 2.702 122.655 120.400 -0.745 0.000 2.298 397 K HA 0.267 4.590 4.320 0.005 0.000 0.280 397 K C -0.007 176.549 176.600 -0.073 0.000 1.032 397 K CA -0.382 55.698 56.287 -0.346 0.000 0.958 397 K CB 0.902 33.358 32.500 -0.073 0.000 0.978 397 K HN 0.760 nan 8.250 nan 0.000 0.472 398 E N 5.994 126.203 120.200 0.015 0.000 2.166 398 E HA 0.124 4.476 4.350 0.005 0.000 0.279 398 E C -2.200 174.475 176.600 0.125 0.000 1.095 398 E CA -1.830 54.629 56.400 0.098 0.000 0.888 398 E CB 0.608 30.354 29.700 0.078 0.000 1.041 398 E HN 0.307 nan 8.360 nan 0.000 0.414 399 P HA 0.190 nan 4.420 nan 0.000 0.281 399 P C -0.451 176.899 177.300 0.084 0.000 1.249 399 P CA -0.330 62.799 63.100 0.048 0.000 0.810 399 P CB 0.843 32.464 31.700 -0.131 0.000 1.008 400 I N 3.344 123.973 120.570 0.098 0.000 2.379 400 I HA 0.136 4.309 4.170 0.005 0.000 0.290 400 I C -1.917 174.334 176.117 0.223 0.000 1.063 400 I CA -2.061 59.325 61.300 0.144 0.000 1.351 400 I CB 0.264 38.346 38.000 0.137 0.000 1.410 400 I HN 0.136 nan 8.210 nan 0.000 0.505 401 P HA 0.127 nan 4.420 nan 0.000 0.267 401 P C -0.615 176.789 177.300 0.173 0.000 1.209 401 P CA 0.198 63.437 63.100 0.232 0.000 0.763 401 P CB 0.481 32.278 31.700 0.161 0.000 0.816 402 N N 1.290 120.124 118.700 0.222 0.000 3.533 402 N HA 0.116 4.859 4.740 0.005 0.000 0.229 402 N C -1.307 174.221 175.510 0.030 0.000 1.418 402 N CA -0.849 52.183 53.050 -0.029 0.000 0.880 402 N CB 1.318 39.582 38.487 -0.373 0.000 1.415 402 N HN 0.280 nan 8.380 nan 0.000 0.491 403 R N 0.451 120.895 120.500 -0.093 0.000 2.582 403 R HA 0.471 4.814 4.340 0.005 0.000 0.271 403 R C -1.023 175.121 176.300 -0.260 0.000 1.078 403 R CA 0.055 56.164 56.100 0.015 0.000 1.127 403 R CB 0.378 30.681 30.300 0.005 0.000 1.038 403 R HN 0.480 nan 8.270 nan 0.000 0.500 404 Y N 0.736 121.152 120.300 0.194 0.000 2.322 404 Y HA 0.225 4.778 4.550 0.005 0.000 0.324 404 Y C 0.792 176.755 175.900 0.105 0.000 1.027 404 Y CA -0.865 57.327 58.100 0.153 0.000 1.179 404 Y CB 2.117 40.706 38.460 0.214 0.000 1.136 404 Y HN 0.732 nan 8.280 nan 0.000 0.449 405 K N 2.369 122.836 120.400 0.112 0.000 1.980 405 K HA 0.017 4.340 4.320 0.005 0.000 0.208 405 K C -0.643 175.808 176.600 -0.248 0.000 1.043 405 K CA 1.320 57.533 56.287 -0.123 0.000 0.938 405 K CB 0.114 32.474 32.500 -0.233 0.000 0.724 405 K HN 0.617 nan 8.250 nan 0.000 0.438 406 Y N 0.291 120.645 120.300 0.091 0.000 2.335 406 Y HA 0.401 4.954 4.550 0.004 0.000 0.338 406 Y C -0.886 175.128 175.900 0.189 0.000 0.977 406 Y CA -1.082 57.062 58.100 0.072 0.000 1.114 406 Y CB 2.061 40.476 38.460 -0.075 0.000 1.182 406 Y HN -0.260 nan 8.280 nan 0.000 0.463 407 V N 5.139 125.291 119.914 0.398 0.000 2.686 407 V HA 0.434 4.557 4.120 0.005 0.000 0.306 407 V C -0.501 175.803 176.094 0.350 0.000 1.065 407 V CA -0.993 61.531 62.300 0.373 0.000 0.894 407 V CB 2.046 34.123 31.823 0.425 0.000 1.004 407 V HN 0.785 nan 8.190 nan 0.000 0.424 408 M N 3.819 123.598 119.600 0.299 0.000 2.311 408 M HA 0.542 5.025 4.480 0.005 0.000 0.325 408 M C -0.159 176.183 176.300 0.069 0.000 1.061 408 M CA -0.331 55.068 55.300 0.165 0.000 0.957 408 M CB 2.353 35.064 32.600 0.184 0.000 1.646 408 M HN 0.812 nan 8.290 nan 0.000 0.434 409 S N 2.270 117.857 115.700 -0.187 0.000 2.638 409 S HA 0.870 5.342 4.470 0.005 0.000 0.298 409 S C -0.965 173.320 174.600 -0.525 0.000 1.111 409 S CA -0.606 57.374 58.200 -0.367 0.000 1.027 409 S CB 1.387 64.165 63.200 -0.703 0.000 1.064 409 S HN 0.470 nan 8.310 nan 0.000 0.525 410 F N 0.124 119.980 119.950 -0.157 0.000 2.588 410 F HA 0.645 5.176 4.527 0.005 0.000 0.310 410 F C -0.360 175.423 175.800 -0.028 0.000 1.082 410 F CA -0.640 57.336 58.000 -0.040 0.000 0.929 410 F CB 2.389 41.399 39.000 0.018 0.000 1.254 410 F HN 0.834 nan 8.300 nan 0.000 0.455 411 D N 1.452 121.966 120.400 0.190 0.000 2.859 411 D HA 0.520 5.163 4.640 0.005 0.000 0.223 411 D C -1.665 174.722 176.300 0.144 0.000 1.218 411 D CA -0.357 53.723 54.000 0.133 0.000 0.850 411 D CB 1.625 42.468 40.800 0.072 0.000 1.656 411 D HN 0.466 nan 8.370 nan 0.000 0.484 412 L N 2.618 123.912 121.223 0.118 0.000 2.331 412 L HA 0.334 4.677 4.340 0.005 0.000 0.278 412 L C 0.455 177.356 176.870 0.053 0.000 1.106 412 L CA -0.275 54.605 54.840 0.067 0.000 0.824 412 L CB 1.249 43.309 42.059 0.002 0.000 1.142 412 L HN 0.482 nan 8.230 nan 0.000 0.443 413 T N 2.052 116.646 114.554 0.067 0.000 2.867 413 T HA -0.027 4.326 4.350 0.005 0.000 0.297 413 T C 0.673 175.392 174.700 0.032 0.000 0.989 413 T CA -0.142 62.018 62.100 0.099 0.000 1.159 413 T CB 0.331 69.318 68.868 0.198 0.000 0.928 413 T HN 0.735 nan 8.240 nan 0.000 0.538 414 S N 2.165 117.914 115.700 0.082 0.000 3.247 414 S HA -0.154 4.319 4.470 0.005 0.000 0.341 414 S C 1.230 175.801 174.600 -0.048 0.000 0.924 414 S CA -0.098 58.131 58.200 0.049 0.000 1.323 414 S CB -1.120 62.171 63.200 0.151 0.000 0.918 414 S HN 0.675 nan 8.310 nan 0.000 0.523 415 L N 2.546 123.760 121.223 -0.015 0.000 1.956 415 L HA -0.148 4.195 4.340 0.005 0.000 0.216 415 L C 1.951 178.891 176.870 0.115 0.000 1.073 415 L CA 2.159 57.013 54.840 0.023 0.000 0.762 415 L CB -0.622 41.488 42.059 0.085 0.000 0.889 415 L HN 0.620 nan 8.230 nan 0.000 0.433 416 Y N -0.169 120.086 120.300 -0.075 0.000 2.145 416 Y HA -0.102 4.451 4.550 0.005 0.000 0.286 416 Y C -0.093 175.707 175.900 -0.168 0.000 1.145 416 Y CA 0.986 59.029 58.100 -0.095 0.000 1.148 416 Y CB -2.509 35.925 38.460 -0.044 0.000 0.981 416 Y HN 0.325 nan 8.280 nan 0.000 0.507 417 P HA -0.089 nan 4.420 nan 0.000 0.217 417 P C 1.820 178.954 177.300 -0.277 0.000 1.150 417 P CA 2.131 65.148 63.100 -0.139 0.000 0.832 417 P CB 0.040 31.686 31.700 -0.090 0.000 0.787 418 S N -0.836 114.673 115.700 -0.318 0.000 2.402 418 S HA -0.084 4.389 4.470 0.005 0.000 0.229 418 S C 1.846 176.198 174.600 -0.413 0.000 1.021 418 S CA 0.939 58.882 58.200 -0.428 0.000 0.974 418 S CB -0.991 61.937 63.200 -0.454 0.000 0.800 418 S HN 0.127 nan 8.310 nan 0.000 0.484 419 I N 1.255 121.609 120.570 -0.361 0.000 2.202 419 I HA -0.175 3.998 4.170 0.005 0.000 0.242 419 I C 2.040 177.826 176.117 -0.552 0.000 1.091 419 I CA 1.164 62.148 61.300 -0.527 0.000 1.368 419 I CB -0.408 37.329 38.000 -0.439 0.000 1.058 419 I HN 0.236 nan 8.210 nan 0.000 0.410 420 I N 0.552 120.869 120.570 -0.421 0.000 2.151 420 I HA -0.342 3.831 4.170 0.005 0.000 0.243 420 I C 2.757 178.642 176.117 -0.387 0.000 1.080 420 I CA 1.644 62.702 61.300 -0.404 0.000 1.339 420 I CB -0.378 37.431 38.000 -0.319 0.000 1.039 420 I HN 0.181 nan 8.210 nan 0.000 0.409 421 R N 0.063 120.353 120.500 -0.350 0.000 2.062 421 R HA -0.202 4.141 4.340 0.005 0.000 0.229 421 R C 2.314 178.429 176.300 -0.307 0.000 1.128 421 R CA 1.527 57.447 56.100 -0.299 0.000 0.960 421 R CB -0.422 29.702 30.300 -0.294 0.000 0.855 421 R HN 0.421 nan 8.270 nan 0.000 0.432 422 Q N 0.777 120.352 119.800 -0.376 0.000 2.050 422 Q HA -0.131 4.212 4.340 0.005 0.000 0.202 422 Q C 1.800 177.597 176.000 -0.337 0.000 0.980 422 Q CA 1.780 57.372 55.803 -0.351 0.000 0.840 422 Q CB 0.142 28.631 28.738 -0.414 0.000 0.898 422 Q HN 0.164 nan 8.270 nan 0.000 0.424 423 V N 0.856 120.485 119.914 -0.475 0.000 2.788 423 V HA -0.062 4.061 4.120 0.005 0.000 0.251 423 V C 0.562 176.428 176.094 -0.379 0.000 1.068 423 V CA 0.932 62.967 62.300 -0.441 0.000 1.090 423 V CB -0.787 30.662 31.823 -0.624 0.000 0.710 423 V HN 0.723 nan 8.190 nan 0.000 0.467 424 N N -0.077 118.384 118.700 -0.397 0.000 2.858 424 N HA -0.184 4.559 4.740 0.005 0.000 0.247 424 N C -0.574 174.624 175.510 -0.519 0.000 1.092 424 N CA 0.225 53.080 53.050 -0.324 0.000 0.675 424 N CB -1.583 36.821 38.487 -0.138 0.000 0.959 424 N HN 0.527 nan 8.380 nan 0.000 0.558 425 I N 0.457 120.615 120.570 -0.685 0.000 2.396 425 I HA 0.325 4.498 4.170 0.005 0.000 0.289 425 I C 0.702 176.579 176.117 -0.400 0.000 1.056 425 I CA 0.060 60.852 61.300 -0.847 0.000 1.365 425 I CB 1.214 38.753 38.000 -0.768 0.000 1.407 425 I HN 0.270 nan 8.210 nan 0.000 0.509 426 S N 6.992 122.557 115.700 -0.225 0.000 2.552 426 S HA 0.407 4.880 4.470 0.005 0.000 0.272 426 S C -2.039 172.549 174.600 -0.020 0.000 1.150 426 S CA -0.995 57.130 58.200 -0.126 0.000 0.849 426 S CB 1.807 64.934 63.200 -0.122 0.000 1.113 426 S HN 0.316 nan 8.310 nan 0.000 0.458 427 P HA -0.159 nan 4.420 nan 0.000 0.216 427 P C 0.917 178.276 177.300 0.097 0.000 1.153 427 P CA 1.433 64.566 63.100 0.055 0.000 0.858 427 P CB -0.018 31.722 31.700 0.067 0.000 0.789 428 E N 0.072 120.273 120.200 0.002 0.000 2.479 428 E HA -0.013 4.340 4.350 0.005 0.000 0.193 428 E C 0.867 177.570 176.600 0.172 0.000 1.049 428 E CA 0.833 57.255 56.400 0.038 0.000 0.870 428 E CB -0.972 28.649 29.700 -0.130 0.000 0.944 428 E HN 0.280 nan 8.360 nan 0.000 0.492 429 T N -1.202 113.417 114.554 0.110 0.000 3.069 429 T HA 0.334 4.687 4.350 0.005 0.000 0.252 429 T C 1.006 175.531 174.700 -0.293 0.000 1.053 429 T CA -0.476 61.674 62.100 0.083 0.000 0.964 429 T CB -0.422 68.530 68.868 0.140 0.000 1.005 429 T HN 0.021 nan 8.240 nan 0.000 0.532 430 I N 2.100 122.525 120.570 -0.242 0.000 2.662 430 I HA 0.244 4.417 4.170 0.005 0.000 0.285 430 I C 1.421 177.032 176.117 -0.843 0.000 1.161 430 I CA -0.229 60.761 61.300 -0.516 0.000 1.415 430 I CB 0.824 38.644 38.000 -0.301 0.000 1.385 430 I HN 0.297 nan 8.210 nan 0.000 0.552 431 A N 4.889 127.097 122.820 -1.020 0.000 2.167 431 A HA 0.639 4.962 4.320 0.005 0.000 0.208 431 A C 0.930 178.119 177.584 -0.658 0.000 1.198 431 A CA 0.623 52.003 52.037 -1.095 0.000 0.863 431 A CB 0.229 18.264 19.000 -1.608 0.000 0.904 431 A HN 0.934 nan 8.150 nan 0.000 0.484 432 G N -1.492 106.988 108.800 -0.533 0.000 2.332 432 G HA2 0.447 4.410 3.960 0.005 0.000 0.265 432 G HA3 0.447 4.410 3.960 0.005 0.000 0.265 432 G C -0.427 174.309 174.900 -0.274 0.000 1.329 432 G CA 0.203 45.112 45.100 -0.318 0.000 0.949 432 G HN 1.116 nan 8.290 nan 0.000 0.476 433 T N -1.716 112.745 114.554 -0.156 0.000 2.901 433 T HA 0.852 5.205 4.350 0.005 0.000 0.293 433 T C -0.567 174.139 174.700 0.009 0.000 1.084 433 T CA -0.184 61.826 62.100 -0.150 0.000 1.008 433 T CB 2.107 70.854 68.868 -0.202 0.000 1.170 433 T HN 1.841 nan 8.240 nan 0.000 0.509 434 F N -1.010 118.901 119.950 -0.064 0.000 2.631 434 F HA 0.799 5.329 4.527 0.005 0.000 0.328 434 F C -0.218 175.582 175.800 0.000 0.000 1.067 434 F CA -1.675 56.314 58.000 -0.018 0.000 0.969 434 F CB 1.504 40.502 39.000 -0.003 0.000 1.332 434 F HN 0.714 nan 8.300 nan 0.000 0.490 435 K N 2.005 122.532 120.400 0.212 0.000 2.349 435 K HA 0.455 4.778 4.320 0.005 0.000 0.289 435 K C -1.217 175.511 176.600 0.215 0.000 1.064 435 K CA -0.400 55.956 56.287 0.115 0.000 0.947 435 K CB 0.555 33.128 32.500 0.122 0.000 1.007 435 K HN 0.645 nan 8.250 nan 0.000 0.478 436 V N 4.006 123.952 119.914 0.053 0.000 2.498 436 V HA 0.328 4.451 4.120 0.005 0.000 0.279 436 V C 0.528 176.757 176.094 0.224 0.000 1.048 436 V CA -0.693 61.716 62.300 0.181 0.000 0.967 436 V CB 0.943 32.764 31.823 -0.003 0.000 0.988 436 V HN 0.929 nan 8.190 nan 0.000 0.473 437 A N 6.764 129.768 122.820 0.307 0.000 2.264 437 A HA 0.783 5.106 4.320 0.005 0.000 0.304 437 A C -2.427 175.228 177.584 0.118 0.000 1.100 437 A CA -1.774 50.300 52.037 0.062 0.000 0.839 437 A CB 0.073 18.936 19.000 -0.228 0.000 1.121 437 A HN 0.703 nan 8.150 nan 0.000 0.496 438 P HA 0.019 nan 4.420 nan 0.000 0.265 438 P C 0.945 178.339 177.300 0.157 0.000 1.187 438 P CA -0.203 62.959 63.100 0.103 0.000 0.766 438 P CB 0.380 32.123 31.700 0.073 0.000 0.820 439 L N 3.755 125.108 121.223 0.217 0.000 2.081 439 L HA -0.243 4.100 4.340 0.005 0.000 0.212 439 L C 2.209 179.208 176.870 0.215 0.000 1.080 439 L CA 2.090 57.092 54.840 0.271 0.000 0.754 439 L CB -1.315 40.845 42.059 0.169 0.000 0.893 439 L HN 0.505 nan 8.230 nan 0.000 0.433 440 H N -0.835 118.272 119.070 0.061 0.000 2.426 440 H HA -0.196 4.363 4.556 0.005 0.000 0.298 440 H C 1.717 177.053 175.328 0.013 0.000 1.107 440 H CA 2.212 58.272 56.048 0.020 0.000 1.298 440 H CB -0.016 29.746 29.762 -0.000 0.000 1.377 440 H HN 0.453 nan 8.280 nan 0.000 0.519 441 D N -0.836 119.575 120.400 0.018 0.000 2.183 441 D HA -0.117 4.525 4.640 0.005 0.000 0.203 441 D C 1.631 177.873 176.300 -0.096 0.000 0.969 441 D CA 0.956 54.893 54.000 -0.105 0.000 0.842 441 D CB -0.272 40.411 40.800 -0.195 0.000 0.957 441 D HN 0.501 nan 8.370 nan 0.000 0.484 442 Y N 0.829 121.232 120.300 0.172 0.000 2.220 442 Y HA 0.041 4.594 4.550 0.005 0.000 0.291 442 Y C 2.403 178.531 175.900 0.380 0.000 1.129 442 Y CA 0.240 58.523 58.100 0.305 0.000 1.161 442 Y CB -0.534 38.011 38.460 0.142 0.000 0.997 442 Y HN -0.091 nan 8.280 nan 0.000 0.522 443 I N 0.329 121.088 120.570 0.314 0.000 2.248 443 I HA -0.349 3.824 4.170 0.005 0.000 0.248 443 I C 1.278 177.392 176.117 -0.005 0.000 1.107 443 I CA 1.553 62.973 61.300 0.201 0.000 1.373 443 I CB -0.302 37.686 38.000 -0.020 0.000 1.055 443 I HN 0.293 nan 8.210 nan 0.000 0.418 444 N N 0.769 119.393 118.700 -0.127 0.000 2.270 444 N HA 0.212 4.955 4.740 0.005 0.000 0.198 444 N C 0.720 176.117 175.510 -0.188 0.000 1.117 444 N CA 0.792 53.694 53.050 -0.247 0.000 0.845 444 N CB 0.660 38.959 38.487 -0.315 0.000 0.980 444 N HN 0.269 nan 8.380 nan 0.000 0.486 445 A N 0.278 123.086 122.820 -0.021 0.000 2.791 445 A HA -0.187 4.136 4.320 0.005 0.000 0.292 445 A C 1.254 178.765 177.584 -0.122 0.000 1.487 445 A CA 1.109 53.079 52.037 -0.112 0.000 0.760 445 A CB -2.164 16.652 19.000 -0.307 0.000 1.031 445 A HN 0.286 nan 8.150 nan 0.000 0.503 446 V N -4.426 115.472 119.914 -0.027 0.000 3.635 446 V HA 0.694 4.817 4.120 0.005 0.000 0.266 446 V C 1.174 177.270 176.094 0.003 0.000 1.316 446 V CA 0.772 63.053 62.300 -0.031 0.000 1.060 446 V CB -0.453 31.343 31.823 -0.046 0.000 0.820 446 V HN 2.016 nan 8.190 nan 0.000 0.447 447 A N 2.285 125.109 122.820 0.005 0.000 2.425 447 A HA 0.408 4.731 4.320 0.005 0.000 0.242 447 A C 0.579 178.248 177.584 0.142 0.000 1.077 447 A CA 0.100 52.099 52.037 -0.063 0.000 0.781 447 A CB -0.097 18.572 19.000 -0.552 0.000 1.020 447 A HN 0.801 nan 8.150 nan 0.000 0.494 448 E N 1.533 121.792 120.200 0.098 0.000 2.415 448 E HA 0.167 4.520 4.350 0.005 0.000 0.262 448 E C 0.095 176.801 176.600 0.176 0.000 1.038 448 E CA -0.548 55.932 56.400 0.134 0.000 0.921 448 E CB 0.486 30.234 29.700 0.079 0.000 0.950 448 E HN 0.555 nan 8.360 nan 0.000 0.438 449 R N 3.273 123.879 120.500 0.177 0.000 2.480 449 R HA -0.005 4.338 4.340 0.005 0.000 0.303 449 R C -1.636 174.588 176.300 -0.126 0.000 0.985 449 R CA -0.859 55.280 56.100 0.066 0.000 1.051 449 R CB 0.278 30.637 30.300 0.100 0.000 0.935 449 R HN 0.501 nan 8.270 nan 0.000 0.410 450 P HA -0.117 nan 4.420 nan 0.000 0.216 450 P C -0.349 176.668 177.300 -0.473 0.000 1.153 450 P CA 1.108 63.734 63.100 -0.789 0.000 0.858 450 P CB 0.294 31.055 31.700 -1.566 0.000 0.789 451 S N -2.226 113.294 115.700 -0.299 0.000 2.537 451 S HA 0.232 4.705 4.470 0.005 0.000 0.271 451 S C -0.796 173.743 174.600 -0.101 0.000 1.148 451 S CA -0.691 57.425 58.200 -0.140 0.000 0.868 451 S CB 0.746 63.908 63.200 -0.063 0.000 1.115 451 S HN -0.173 nan 8.310 nan 0.000 0.461 452 D N 2.715 123.063 120.400 -0.086 0.000 2.363 452 D HA 0.218 4.861 4.640 0.005 0.000 0.214 452 D C 1.089 177.309 176.300 -0.133 0.000 1.093 452 D CA 0.476 54.426 54.000 -0.083 0.000 0.837 452 D CB 0.911 41.675 40.800 -0.060 0.000 0.948 452 D HN 0.280 nan 8.370 nan 0.000 0.507 453 V N -0.521 119.264 119.914 -0.215 0.000 3.159 453 V HA 0.108 4.231 4.120 0.005 0.000 0.234 453 V C -0.148 175.676 176.094 -0.449 0.000 1.313 453 V CA 0.308 62.352 62.300 -0.428 0.000 1.271 453 V CB 0.503 31.887 31.823 -0.732 0.000 1.053 453 V HN -0.079 nan 8.190 nan 0.000 0.476 454 Y N 0.102 120.406 120.300 0.007 0.000 2.587 454 Y HA 0.662 5.215 4.550 0.005 0.000 0.337 454 Y C 0.531 176.433 175.900 0.003 0.000 1.065 454 Y CA -1.248 56.865 58.100 0.022 0.000 1.126 454 Y CB 1.449 39.915 38.460 0.010 0.000 1.279 454 Y HN -0.049 nan 8.280 nan 0.000 0.489 455 S N 0.878 116.715 115.700 0.228 0.000 2.513 455 S HA 0.540 5.013 4.470 0.005 0.000 0.276 455 S C -0.846 173.859 174.600 0.174 0.000 1.254 455 S CA -0.355 57.926 58.200 0.135 0.000 1.053 455 S CB -0.450 62.812 63.200 0.102 0.000 0.958 455 S HN 0.656 nan 8.310 nan 0.000 0.491 456 C N 3.770 123.129 119.300 0.098 0.000 2.614 456 C HA 0.859 5.322 4.460 0.005 0.000 0.320 456 C C 0.092 175.195 174.990 0.188 0.000 1.200 456 C CA -0.873 58.226 59.018 0.135 0.000 1.700 456 C CB 1.307 28.982 27.740 -0.108 0.000 2.275 456 C HN 0.963 nan 8.230 nan 0.000 0.492 457 S N 1.495 117.361 115.700 0.277 0.000 2.503 457 S HA 0.521 4.994 4.470 0.005 0.000 0.301 457 S C -2.221 172.470 174.600 0.152 0.000 1.087 457 S CA -1.084 57.272 58.200 0.259 0.000 1.042 457 S CB 1.686 65.019 63.200 0.221 0.000 1.043 457 S HN 0.632 nan 8.310 nan 0.000 0.489 458 P HA -0.066 nan 4.420 nan 0.000 0.236 458 P C 0.547 177.773 177.300 -0.123 0.000 1.172 458 P CA 0.651 63.603 63.100 -0.247 0.000 0.759 458 P CB -0.307 31.185 31.700 -0.346 0.000 0.843 459 N N -0.234 118.417 118.700 -0.081 0.000 2.398 459 N HA -0.007 4.736 4.740 0.005 0.000 0.188 459 N C 1.318 176.651 175.510 -0.296 0.000 1.122 459 N CA 1.001 53.978 53.050 -0.121 0.000 0.866 459 N CB -0.638 37.810 38.487 -0.066 0.000 0.970 459 N HN 0.197 nan 8.380 nan 0.000 0.462 460 G N -0.429 108.025 108.800 -0.578 0.000 2.184 460 G HA2 -0.188 3.775 3.960 0.005 0.000 0.206 460 G HA3 -0.188 3.775 3.960 0.005 0.000 0.206 460 G C -0.123 174.294 174.900 -0.806 0.000 0.995 460 G CA -0.033 44.336 45.100 -1.218 0.000 0.651 460 G HN 0.191 nan 8.290 nan 0.000 0.511 461 M N 0.896 120.301 119.600 -0.325 0.000 2.249 461 M HA 0.657 5.140 4.480 0.005 0.000 0.351 461 M C 0.568 176.777 176.300 -0.150 0.000 1.180 461 M CA 0.261 55.397 55.300 -0.274 0.000 1.127 461 M CB 0.926 33.379 32.600 -0.245 0.000 1.546 461 M HN 0.202 nan 8.290 nan 0.000 0.461 462 M N 2.623 121.969 119.600 -0.425 0.000 2.465 462 M HA 0.494 4.977 4.480 0.005 0.000 0.316 462 M C -1.626 174.213 176.300 -0.768 0.000 1.121 462 M CA -0.550 54.561 55.300 -0.314 0.000 0.934 462 M CB 2.190 34.716 32.600 -0.124 0.000 1.692 462 M HN 0.470 nan 8.290 nan 0.000 0.444 463 Y N -0.029 120.166 120.300 -0.174 0.000 2.499 463 Y HA 0.472 5.025 4.550 0.005 0.000 0.347 463 Y C -0.664 175.177 175.900 -0.098 0.000 0.987 463 Y CA -0.876 57.068 58.100 -0.261 0.000 1.044 463 Y CB 1.377 39.735 38.460 -0.170 0.000 1.245 463 Y HN 0.467 nan 8.280 nan 0.000 0.461 464 Y N 1.550 121.926 120.300 0.126 0.000 2.578 464 Y HA 0.027 4.580 4.550 0.005 0.000 0.339 464 Y C 1.052 177.049 175.900 0.162 0.000 1.231 464 Y CA 0.113 58.321 58.100 0.180 0.000 1.461 464 Y CB 0.694 39.215 38.460 0.101 0.000 1.323 464 Y HN 0.551 nan 8.280 nan 0.000 0.590 465 K N 0.930 121.532 120.400 0.337 0.000 2.374 465 K HA -0.036 4.287 4.320 0.005 0.000 0.202 465 K C 0.865 177.528 176.600 0.105 0.000 1.040 465 K CA 0.341 56.730 56.287 0.170 0.000 1.085 465 K CB 0.317 32.891 32.500 0.123 0.000 0.873 465 K HN 0.729 nan 8.250 nan 0.000 0.539 466 D N 2.033 122.497 120.400 0.107 0.000 2.183 466 D HA -0.136 4.506 4.640 0.005 0.000 0.203 466 D C 0.566 176.880 176.300 0.022 0.000 0.969 466 D CA 0.793 54.815 54.000 0.037 0.000 0.842 466 D CB 0.195 40.991 40.800 -0.007 0.000 0.957 466 D HN 0.204 nan 8.370 nan 0.000 0.484 467 R N -0.685 119.839 120.500 0.039 0.000 2.663 467 R HA 0.338 4.681 4.340 0.005 0.000 0.267 467 R C -1.591 174.727 176.300 0.031 0.000 1.038 467 R CA -0.848 55.265 56.100 0.021 0.000 0.886 467 R CB 0.743 31.043 30.300 0.000 0.000 1.249 467 R HN -0.343 nan 8.270 nan 0.000 0.463 468 D N 1.260 121.664 120.400 0.006 0.000 2.424 468 D HA 0.160 4.803 4.640 0.005 0.000 0.244 468 D C 0.479 176.771 176.300 -0.013 0.000 1.134 468 D CA 0.695 54.688 54.000 -0.012 0.000 0.881 468 D CB 1.184 41.970 40.800 -0.023 0.000 1.191 468 D HN 0.655 nan 8.370 nan 0.000 0.445 469 G N 0.513 109.295 108.800 -0.030 0.000 2.636 469 G HA2 0.120 4.083 3.960 0.005 0.000 0.246 469 G HA3 0.120 4.083 3.960 0.005 0.000 0.246 469 G C 1.212 176.072 174.900 -0.067 0.000 1.216 469 G CA -0.618 44.455 45.100 -0.045 0.000 0.854 469 G HN 0.374 nan 8.290 nan 0.000 0.572 470 V N 1.167 121.030 119.914 -0.085 0.000 2.515 470 V HA -0.143 3.980 4.120 0.005 0.000 0.250 470 V C 2.792 178.832 176.094 -0.091 0.000 1.058 470 V CA 2.035 64.287 62.300 -0.080 0.000 1.064 470 V CB -0.335 31.426 31.823 -0.103 0.000 0.675 470 V HN 0.454 nan 8.190 nan 0.000 0.461 471 V N 0.739 120.562 119.914 -0.152 0.000 2.261 471 V HA -0.112 4.011 4.120 0.005 0.000 0.246 471 V C 0.253 176.251 176.094 -0.161 0.000 1.047 471 V CA 2.686 64.875 62.300 -0.186 0.000 1.015 471 V CB -1.855 29.827 31.823 -0.234 0.000 0.642 471 V HN 0.506 nan 8.190 nan 0.000 0.446 472 P HA -0.129 nan 4.420 nan 0.000 0.215 472 P C 1.823 179.085 177.300 -0.062 0.000 1.153 472 P CA 1.790 64.809 63.100 -0.135 0.000 0.853 472 P CB -0.211 31.401 31.700 -0.146 0.000 0.788 473 T N -0.286 114.249 114.554 -0.032 0.000 2.708 473 T HA -0.140 4.213 4.350 0.005 0.000 0.266 473 T C 1.564 176.313 174.700 0.081 0.000 1.037 473 T CA 1.295 63.406 62.100 0.019 0.000 1.146 473 T CB -0.625 68.253 68.868 0.016 0.000 0.865 473 T HN 0.171 nan 8.240 nan 0.000 0.435 474 E N 0.536 120.801 120.200 0.109 0.000 2.158 474 E HA 0.120 4.473 4.350 0.005 0.000 0.191 474 E C 2.165 178.972 176.600 0.344 0.000 0.982 474 E CA 0.302 56.855 56.400 0.256 0.000 0.823 474 E CB -0.330 29.576 29.700 0.344 0.000 0.766 474 E HN 0.460 nan 8.360 nan 0.000 0.468 475 I N 1.068 121.737 120.570 0.165 0.000 2.394 475 I HA -0.225 3.948 4.170 0.005 0.000 0.251 475 I C 1.815 178.054 176.117 0.204 0.000 1.136 475 I CA 1.049 62.446 61.300 0.161 0.000 1.425 475 I CB 0.068 38.014 38.000 -0.091 0.000 1.079 475 I HN 0.041 nan 8.210 nan 0.000 0.425 476 T N 0.714 115.351 114.554 0.139 0.000 2.746 476 T HA -0.196 4.157 4.350 0.005 0.000 0.267 476 T C 1.837 176.680 174.700 0.239 0.000 1.039 476 T CA 1.314 63.516 62.100 0.171 0.000 1.142 476 T CB -0.108 68.815 68.868 0.092 0.000 0.866 476 T HN 0.332 nan 8.240 nan 0.000 0.444 477 K N 0.530 121.059 120.400 0.215 0.000 2.032 477 K HA -0.060 4.263 4.320 0.005 0.000 0.209 477 K C 2.312 179.001 176.600 0.149 0.000 1.048 477 K CA 1.152 57.559 56.287 0.201 0.000 0.927 477 K CB -0.415 32.246 32.500 0.269 0.000 0.712 477 K HN 0.158 nan 8.250 nan 0.000 0.441 478 V N 1.030 121.054 119.914 0.183 0.000 2.453 478 V HA -0.205 3.918 4.120 0.005 0.000 0.247 478 V C 1.936 178.091 176.094 0.103 0.000 1.048 478 V CA 1.412 63.754 62.300 0.070 0.000 1.049 478 V CB -0.556 31.345 31.823 0.130 0.000 0.672 478 V HN 0.231 nan 8.190 nan 0.000 0.457 479 F N 2.346 122.333 119.950 0.062 0.000 2.095 479 F HA -0.210 4.320 4.527 0.005 0.000 0.298 479 F C 2.268 178.071 175.800 0.005 0.000 1.104 479 F CA 2.004 60.023 58.000 0.032 0.000 1.232 479 F CB -0.441 38.574 39.000 0.025 0.000 0.987 479 F HN 0.182 nan 8.300 nan 0.000 0.475 480 N N 0.569 119.201 118.700 -0.114 0.000 2.166 480 N HA -0.190 4.553 4.740 0.005 0.000 0.186 480 N C 1.821 177.182 175.510 -0.249 0.000 1.019 480 N CA 1.629 54.545 53.050 -0.223 0.000 0.856 480 N CB -0.592 37.883 38.487 -0.020 0.000 0.993 480 N HN 0.549 nan 8.380 nan 0.000 0.426 481 Q N 0.266 119.973 119.800 -0.156 0.000 2.050 481 Q HA -0.070 4.273 4.340 0.005 0.000 0.202 481 Q C 2.177 178.106 176.000 -0.117 0.000 0.980 481 Q CA 0.936 56.662 55.803 -0.128 0.000 0.840 481 Q CB -0.077 28.610 28.738 -0.086 0.000 0.898 481 Q HN 0.233 nan 8.270 nan 0.000 0.424 482 R N 1.646 122.057 120.500 -0.148 0.000 2.083 482 R HA -0.186 4.157 4.340 0.005 0.000 0.237 482 R C 2.016 178.167 176.300 -0.248 0.000 1.137 482 R CA 1.787 57.803 56.100 -0.139 0.000 0.951 482 R CB -0.235 29.992 30.300 -0.123 0.000 0.851 482 R HN 0.140 nan 8.270 nan 0.000 0.434 483 K N 0.608 120.730 120.400 -0.462 0.000 2.063 483 K HA -0.196 4.126 4.320 0.005 0.000 0.208 483 K C 2.046 178.415 176.600 -0.385 0.000 1.048 483 K CA 1.863 57.871 56.287 -0.464 0.000 0.928 483 K CB -0.156 31.959 32.500 -0.642 0.000 0.713 483 K HN 0.279 nan 8.250 nan 0.000 0.442 484 E N -0.246 119.695 120.200 -0.431 0.000 2.051 484 E HA -0.238 4.115 4.350 0.005 0.000 0.192 484 E C 1.921 178.006 176.600 -0.858 0.000 0.991 484 E CA 1.249 57.276 56.400 -0.621 0.000 0.799 484 E CB -0.019 29.327 29.700 -0.590 0.000 0.748 484 E HN 0.482 nan 8.360 nan 0.000 0.449 485 H N 0.184 118.995 119.070 -0.432 0.000 2.389 485 H HA -0.063 4.496 4.556 0.005 0.000 0.299 485 H C 2.137 177.326 175.328 -0.231 0.000 1.081 485 H CA 1.328 57.213 56.048 -0.270 0.000 1.345 485 H CB -0.034 29.662 29.762 -0.111 0.000 1.393 485 H HN 0.165 nan 8.280 nan 0.000 0.520 486 K N 0.683 121.003 120.400 -0.133 0.000 2.057 486 K HA -0.104 4.219 4.320 0.005 0.000 0.207 486 K C 2.413 178.920 176.600 -0.155 0.000 1.049 486 K CA 1.127 57.342 56.287 -0.121 0.000 0.931 486 K CB -0.205 32.222 32.500 -0.122 0.000 0.714 486 K HN 0.244 nan 8.250 nan 0.000 0.440 487 G N 0.212 108.853 108.800 -0.266 0.000 2.446 487 G HA2 -0.261 3.702 3.960 0.005 0.000 0.217 487 G HA3 -0.261 3.702 3.960 0.005 0.000 0.217 487 G C 1.111 175.900 174.900 -0.184 0.000 1.168 487 G CA 1.018 45.962 45.100 -0.259 0.000 0.771 487 G HN 0.274 nan 8.290 nan 0.000 0.551 488 Y N -0.084 120.099 120.300 -0.195 0.000 2.181 488 Y HA 0.009 4.562 4.550 0.005 0.000 0.288 488 Y C 2.836 178.635 175.900 -0.169 0.000 1.146 488 Y CA 0.763 58.715 58.100 -0.247 0.000 1.164 488 Y CB -0.874 37.449 38.460 -0.229 0.000 0.982 488 Y HN 0.169 nan 8.280 nan 0.000 0.515 489 M N -0.582 119.039 119.600 0.035 0.000 2.080 489 M HA -0.215 4.268 4.480 0.005 0.000 0.260 489 M C 1.901 178.176 176.300 -0.041 0.000 1.068 489 M CA 1.823 57.117 55.300 -0.010 0.000 1.109 489 M CB -0.374 32.214 32.600 -0.019 0.000 1.342 489 M HN 0.305 nan 8.290 nan 0.000 0.405 490 L N -0.108 121.082 121.223 -0.055 0.000 2.093 490 L HA -0.134 4.209 4.340 0.005 0.000 0.208 490 L C 2.759 179.583 176.870 -0.077 0.000 1.085 490 L CA 1.026 55.827 54.840 -0.064 0.000 0.755 490 L CB -0.944 41.073 42.059 -0.069 0.000 0.904 490 L HN 0.393 nan 8.230 nan 0.000 0.435 491 A N 0.208 122.980 122.820 -0.080 0.000 1.902 491 A HA -0.192 4.131 4.320 0.005 0.000 0.217 491 A C 2.532 180.033 177.584 -0.139 0.000 1.181 491 A CA 1.792 53.767 52.037 -0.103 0.000 0.623 491 A CB -0.689 18.253 19.000 -0.095 0.000 0.818 491 A HN 0.398 nan 8.150 nan 0.000 0.443 492 A N -1.002 121.756 122.820 -0.104 0.000 1.933 492 A HA -0.208 4.115 4.320 0.005 0.000 0.218 492 A C 2.184 179.711 177.584 -0.096 0.000 1.175 492 A CA 1.789 53.771 52.037 -0.091 0.000 0.628 492 A CB -0.548 18.414 19.000 -0.064 0.000 0.814 492 A HN 0.673 nan 8.150 nan 0.000 0.444 493 Q N -0.473 119.280 119.800 -0.078 0.000 2.020 493 Q HA -0.190 4.152 4.340 0.005 0.000 0.202 493 Q C 2.347 178.308 176.000 -0.065 0.000 0.982 493 Q CA 1.618 57.388 55.803 -0.054 0.000 0.838 493 Q CB -0.113 28.602 28.738 -0.038 0.000 0.899 493 Q HN 0.670 nan 8.270 nan 0.000 0.423 494 R N 0.058 120.500 120.500 -0.098 0.000 2.081 494 R HA -0.101 4.242 4.340 0.005 0.000 0.235 494 R C 2.036 178.260 176.300 -0.126 0.000 1.131 494 R CA 1.356 57.393 56.100 -0.105 0.000 0.960 494 R CB -0.276 29.959 30.300 -0.109 0.000 0.856 494 R HN 0.340 nan 8.270 nan 0.000 0.436 495 N N 0.224 118.780 118.700 -0.240 0.000 2.166 495 N HA -0.110 4.632 4.740 0.005 0.000 0.186 495 N C 1.840 177.308 175.510 -0.070 0.000 1.019 495 N CA 1.501 54.300 53.050 -0.418 0.000 0.856 495 N CB -0.618 37.330 38.487 -0.899 0.000 0.993 495 N HN 0.336 nan 8.380 nan 0.000 0.426 496 G N 1.701 110.481 108.800 -0.034 0.000 2.440 496 G HA2 -0.230 3.733 3.960 0.005 0.000 0.218 496 G HA3 -0.230 3.733 3.960 0.005 0.000 0.218 496 G C 1.419 176.349 174.900 0.049 0.000 1.154 496 G CA 0.628 45.743 45.100 0.025 0.000 0.767 496 G HN 0.251 nan 8.290 nan 0.000 0.552 497 E N 0.484 120.706 120.200 0.037 0.000 2.150 497 E HA -0.043 4.310 4.350 0.005 0.000 0.193 497 E C 2.584 179.223 176.600 0.064 0.000 0.985 497 E CA 0.343 56.777 56.400 0.057 0.000 0.814 497 E CB -0.223 29.508 29.700 0.053 0.000 0.752 497 E HN 0.542 nan 8.360 nan 0.000 0.466 498 I N 0.851 121.470 120.570 0.082 0.000 2.208 498 I HA -0.279 3.893 4.170 0.005 0.000 0.245 498 I C 2.375 178.568 176.117 0.126 0.000 1.097 498 I CA 1.086 62.463 61.300 0.128 0.000 1.363 498 I CB -0.268 37.867 38.000 0.225 0.000 1.051 498 I HN 0.037 nan 8.210 nan 0.000 0.413 499 I N 0.435 121.097 120.570 0.154 0.000 2.252 499 I HA -0.258 3.915 4.170 0.005 0.000 0.245 499 I C 2.458 178.585 176.117 0.017 0.000 1.102 499 I CA 1.314 62.684 61.300 0.117 0.000 1.385 499 I CB -0.364 37.737 38.000 0.169 0.000 1.064 499 I HN 0.126 nan 8.210 nan 0.000 0.414 500 K N 0.578 120.975 120.400 -0.006 0.000 2.063 500 K HA -0.185 4.137 4.320 0.005 0.000 0.208 500 K C 2.056 178.487 176.600 -0.282 0.000 1.048 500 K CA 1.254 57.481 56.287 -0.099 0.000 0.928 500 K CB -0.114 32.363 32.500 -0.038 0.000 0.713 500 K HN 0.296 nan 8.250 nan 0.000 0.442 501 E N 0.459 120.572 120.200 -0.145 0.000 2.077 501 E HA -0.166 4.187 4.350 0.005 0.000 0.193 501 E C 2.061 178.592 176.600 -0.116 0.000 0.989 501 E CA 1.160 57.490 56.400 -0.116 0.000 0.800 501 E CB -0.132 29.609 29.700 0.068 0.000 0.746 501 E HN 0.317 nan 8.360 nan 0.000 0.452 502 A N 1.129 123.918 122.820 -0.052 0.000 1.969 502 A HA -0.088 4.235 4.320 0.005 0.000 0.218 502 A C 2.256 179.819 177.584 -0.036 0.000 1.169 502 A CA 0.710 52.742 52.037 -0.009 0.000 0.635 502 A CB -0.582 18.428 19.000 0.017 0.000 0.810 502 A HN 0.155 nan 8.150 nan 0.000 0.445 503 L N -0.671 120.484 121.223 -0.113 0.000 2.456 503 L HA -0.137 4.206 4.340 0.005 0.000 0.224 503 L C 2.104 178.941 176.870 -0.054 0.000 1.148 503 L CA 0.463 55.248 54.840 -0.091 0.000 0.825 503 L CB -0.469 41.527 42.059 -0.106 0.000 0.937 503 L HN 0.448 nan 8.230 nan 0.000 0.450 504 H N -0.524 118.569 119.070 0.038 0.000 2.457 504 H HA 0.074 4.632 4.556 0.004 0.000 0.294 504 H C 0.556 175.901 175.328 0.029 0.000 1.064 504 H CA 0.729 56.797 56.048 0.034 0.000 1.330 504 H CB 0.096 29.880 29.762 0.038 0.000 1.395 504 H HN 0.284 nan 8.280 nan 0.000 0.541 505 N N 1.311 120.088 118.700 0.129 0.000 2.765 505 N HA 0.142 4.885 4.740 0.005 0.000 0.277 505 N C -2.752 172.787 175.510 0.049 0.000 1.750 505 N CA -0.923 52.176 53.050 0.081 0.000 0.827 505 N CB 2.105 40.638 38.487 0.077 0.000 1.200 505 N HN 0.198 nan 8.380 nan 0.000 0.494 506 P HA 0.254 nan 4.420 nan 0.000 0.278 506 P C -0.414 176.899 177.300 0.021 0.000 1.238 506 P CA -0.309 62.806 63.100 0.025 0.000 0.794 506 P CB 1.057 32.769 31.700 0.021 0.000 0.955 507 N N 1.112 119.821 118.700 0.015 0.000 2.524 507 N HA 0.259 5.002 4.740 0.005 0.000 0.283 507 N C -0.236 175.280 175.510 0.010 0.000 1.142 507 N CA -0.357 52.701 53.050 0.012 0.000 0.984 507 N CB 0.180 38.673 38.487 0.009 0.000 1.155 507 N HN 0.324 nan 8.380 nan 0.000 0.467 508 L N 1.719 122.947 121.223 0.009 0.000 2.358 508 L HA 0.325 4.668 4.340 0.005 0.000 0.274 508 L C -0.112 176.761 176.870 0.005 0.000 1.136 508 L CA -0.223 54.622 54.840 0.007 0.000 0.970 508 L CB -0.958 41.105 42.059 0.008 0.000 1.314 508 L HN 0.657 nan 8.230 nan 0.000 0.427 509 S N 0.722 116.424 115.700 0.004 0.000 2.615 509 S HA 0.630 5.103 4.470 0.005 0.000 0.269 509 S C -0.894 173.707 174.600 0.001 0.000 1.161 509 S CA -0.919 57.282 58.200 0.002 0.000 0.817 509 S CB 1.995 65.196 63.200 0.001 0.000 1.131 509 S HN -0.072 nan 8.310 nan 0.000 0.467 510 V N 2.759 122.674 119.914 0.000 0.000 2.347 510 V HA 0.656 4.779 4.120 0.005 0.000 0.280 510 V C -0.824 175.270 176.094 -0.001 0.000 1.021 510 V CA -0.096 62.204 62.300 -0.000 0.000 0.847 510 V CB 0.451 32.273 31.823 -0.001 0.000 0.990 510 V HN 1.072 nan 8.190 nan 0.000 0.444 511 D N 3.691 124.091 120.400 -0.000 0.000 2.812 511 D HA 0.578 5.221 4.640 0.005 0.000 0.318 511 D C -0.912 175.389 176.300 0.002 0.000 1.234 511 D CA -0.803 53.197 54.000 -0.001 0.000 0.989 511 D CB 1.200 41.998 40.800 -0.003 0.000 1.442 511 D HN 0.244 nan 8.370 nan 0.000 0.537 512 E N -0.479 119.722 120.200 0.002 0.000 2.299 512 E HA 0.446 4.799 4.350 0.005 0.000 0.265 512 E C -2.365 174.241 176.600 0.011 0.000 0.911 512 E CA -1.863 54.541 56.400 0.008 0.000 0.789 512 E CB 1.685 31.390 29.700 0.008 0.000 1.246 512 E HN 0.331 nan 8.360 nan 0.000 0.427 513 P HA 0.098 nan 4.420 nan 0.000 0.269 513 P C -0.267 177.046 177.300 0.021 0.000 1.209 513 P CA -0.501 62.623 63.100 0.040 0.000 0.776 513 P CB 0.537 32.286 31.700 0.081 0.000 0.876 514 L N 2.679 123.896 121.223 -0.009 0.000 2.416 514 L HA 0.125 4.468 4.340 0.005 0.000 0.272 514 L C 0.915 177.758 176.870 -0.044 0.000 1.161 514 L CA 0.469 55.275 54.840 -0.058 0.000 0.845 514 L CB -0.717 41.255 42.059 -0.144 0.000 1.119 514 L HN 0.358 nan 8.230 nan 0.000 0.464 515 D N 2.827 123.201 120.400 -0.044 0.000 2.402 515 D HA 0.377 5.020 4.640 0.005 0.000 0.235 515 D C -0.656 175.593 176.300 -0.086 0.000 1.226 515 D CA -0.004 53.978 54.000 -0.030 0.000 0.918 515 D CB 0.286 41.081 40.800 -0.009 0.000 1.043 515 D HN 0.258 nan 8.370 nan 0.000 0.506 516 V N 0.798 120.619 119.914 -0.155 0.000 3.078 516 V HA 0.551 4.673 4.120 0.005 0.000 0.311 516 V C -0.423 175.532 176.094 -0.232 0.000 1.138 516 V CA -1.140 61.023 62.300 -0.228 0.000 1.007 516 V CB 2.084 33.687 31.823 -0.366 0.000 1.045 516 V HN 0.220 nan 8.190 nan 0.000 0.432 517 D N 0.666 121.017 120.400 -0.081 0.000 2.396 517 D HA 0.353 4.996 4.640 0.005 0.000 0.225 517 D C 0.234 176.559 176.300 0.041 0.000 1.121 517 D CA -0.141 53.882 54.000 0.038 0.000 0.853 517 D CB 0.852 41.769 40.800 0.195 0.000 1.043 517 D HN 0.602 nan 8.370 nan 0.000 0.500 518 Y N 2.192 122.555 120.300 0.105 0.000 2.616 518 Y HA 0.002 4.555 4.550 0.004 0.000 0.296 518 Y C 2.114 177.932 175.900 -0.137 0.000 1.154 518 Y CA 0.446 58.555 58.100 0.016 0.000 1.325 518 Y CB 0.123 38.584 38.460 0.001 0.000 1.007 518 Y HN 0.273 nan 8.280 nan 0.000 0.542 519 R N -0.668 119.768 120.500 -0.107 0.000 2.307 519 R HA 0.035 4.378 4.340 0.005 0.000 0.199 519 R C -0.773 175.154 176.300 -0.621 0.000 1.000 519 R CA 0.442 56.284 56.100 -0.430 0.000 1.023 519 R CB -0.039 29.737 30.300 -0.874 0.000 0.908 519 R HN 0.119 nan 8.270 nan 0.000 0.473 520 F N 0.375 120.318 119.950 -0.012 0.000 2.540 520 F HA 0.227 4.756 4.527 0.004 0.000 0.317 520 F C 0.214 175.979 175.800 -0.059 0.000 1.104 520 F CA -1.581 56.417 58.000 -0.002 0.000 0.913 520 F CB 1.108 40.115 39.000 0.012 0.000 1.170 520 F HN -0.233 nan 8.300 nan 0.000 0.450 521 D N 2.407 122.875 120.400 0.113 0.000 2.533 521 D HA -0.050 4.593 4.640 0.005 0.000 0.236 521 D C -0.087 176.279 176.300 0.109 0.000 1.137 521 D CA 0.676 54.677 54.000 0.001 0.000 0.867 521 D CB 0.464 41.281 40.800 0.029 0.000 1.170 521 D HN 0.080 nan 8.370 nan 0.000 0.474 522 F N 1.422 121.399 119.950 0.046 0.000 2.607 522 F HA -0.054 4.476 4.527 0.005 0.000 0.374 522 F C 1.677 177.484 175.800 0.013 0.000 1.104 522 F CA -0.792 57.218 58.000 0.017 0.000 1.296 522 F CB -0.131 38.875 39.000 0.010 0.000 1.085 522 F HN 0.080 nan 8.300 nan 0.000 0.584 523 S N 1.692 117.512 115.700 0.200 0.000 2.608 523 S HA 0.097 4.569 4.470 0.005 0.000 0.261 523 S C 0.913 175.555 174.600 0.071 0.000 1.314 523 S CA -0.706 57.550 58.200 0.094 0.000 0.992 523 S CB 0.805 64.030 63.200 0.042 0.000 0.935 523 S HN 0.559 nan 8.310 nan 0.000 0.564 524 D N 0.563 120.989 120.400 0.043 0.000 2.149 524 D HA -0.137 4.506 4.640 0.005 0.000 0.198 524 D C 1.740 178.044 176.300 0.007 0.000 0.990 524 D CA 1.559 55.577 54.000 0.029 0.000 0.839 524 D CB -0.359 40.454 40.800 0.021 0.000 0.948 524 D HN 0.857 nan 8.370 nan 0.000 0.460 525 E N 0.397 120.593 120.200 -0.007 0.000 2.077 525 E HA -0.146 4.207 4.350 0.005 0.000 0.193 525 E C 2.304 178.871 176.600 -0.056 0.000 0.989 525 E CA 0.594 56.977 56.400 -0.027 0.000 0.800 525 E CB -0.049 29.632 29.700 -0.030 0.000 0.746 525 E HN 0.235 nan 8.360 nan 0.000 0.452 526 I N 0.876 121.397 120.570 -0.080 0.000 2.226 526 I HA -0.273 3.900 4.170 0.005 0.000 0.245 526 I C 2.543 178.556 176.117 -0.174 0.000 1.100 526 I CA 1.151 62.340 61.300 -0.185 0.000 1.374 526 I CB -0.200 37.615 38.000 -0.307 0.000 1.057 526 I HN 0.044 nan 8.210 nan 0.000 0.413 527 K N 0.437 120.797 120.400 -0.067 0.000 2.063 527 K HA -0.196 4.127 4.320 0.005 0.000 0.208 527 K C 2.078 178.667 176.600 -0.019 0.000 1.048 527 K CA 1.269 57.551 56.287 -0.008 0.000 0.928 527 K CB -0.095 32.441 32.500 0.060 0.000 0.713 527 K HN 0.275 nan 8.250 nan 0.000 0.442 528 E N 0.937 121.124 120.200 -0.022 0.000 2.072 528 E HA -0.159 4.194 4.350 0.005 0.000 0.191 528 E C 1.845 178.427 176.600 -0.030 0.000 0.985 528 E CA 1.220 57.610 56.400 -0.017 0.000 0.801 528 E CB -0.010 29.682 29.700 -0.014 0.000 0.750 528 E HN 0.300 nan 8.360 nan 0.000 0.452 529 K N 0.462 120.829 120.400 -0.054 0.000 2.097 529 K HA -0.030 4.293 4.320 0.005 0.000 0.205 529 K C 2.314 178.877 176.600 -0.061 0.000 1.050 529 K CA 0.709 56.959 56.287 -0.061 0.000 0.938 529 K CB -0.124 32.326 32.500 -0.084 0.000 0.718 529 K HN 0.086 nan 8.250 nan 0.000 0.442 530 I N 1.553 122.074 120.570 -0.081 0.000 2.226 530 I HA -0.293 3.880 4.170 0.005 0.000 0.245 530 I C 1.915 178.020 176.117 -0.019 0.000 1.100 530 I CA 1.347 62.610 61.300 -0.062 0.000 1.374 530 I CB -0.129 37.826 38.000 -0.076 0.000 1.057 530 I HN 0.124 nan 8.210 nan 0.000 0.413 531 K N 0.666 121.060 120.400 -0.009 0.000 2.442 531 K HA -0.144 4.179 4.320 0.005 0.000 0.198 531 K C 1.449 178.052 176.600 0.004 0.000 1.044 531 K CA 0.910 57.201 56.287 0.007 0.000 0.948 531 K CB -0.020 32.488 32.500 0.013 0.000 0.762 531 K HN 0.373 nan 8.250 nan 0.000 0.472 532 K N 0.174 120.570 120.400 -0.005 0.000 2.358 532 K HA 0.192 4.515 4.320 0.005 0.000 0.200 532 K C 0.251 176.848 176.600 -0.004 0.000 1.030 532 K CA -0.143 56.141 56.287 -0.004 0.000 1.097 532 K CB 0.522 33.017 32.500 -0.009 0.000 0.862 532 K HN -0.002 nan 8.250 nan 0.000 0.534 533 L N 1.791 123.011 121.223 -0.006 0.000 2.418 533 L HA 0.124 4.467 4.340 0.005 0.000 0.265 533 L C 0.857 177.729 176.870 0.004 0.000 1.143 533 L CA -0.491 54.346 54.840 -0.004 0.000 0.809 533 L CB 1.127 43.182 42.059 -0.007 0.000 1.124 533 L HN 0.109 nan 8.230 nan 0.000 0.456 534 S N 1.001 116.704 115.700 0.004 0.000 2.600 534 S HA 0.235 4.708 4.470 0.005 0.000 0.265 534 S C 1.036 175.642 174.600 0.009 0.000 1.325 534 S CA -0.135 58.069 58.200 0.007 0.000 1.002 534 S CB 1.390 64.593 63.200 0.005 0.000 0.921 534 S HN 0.699 nan 8.310 nan 0.000 0.554 535 A N 1.403 124.229 122.820 0.009 0.000 1.933 535 A HA -0.100 4.223 4.320 0.005 0.000 0.218 535 A C 2.182 179.770 177.584 0.008 0.000 1.175 535 A CA 1.735 53.777 52.037 0.009 0.000 0.628 535 A CB -0.911 18.094 19.000 0.009 0.000 0.814 535 A HN 0.946 nan 8.150 nan 0.000 0.444 536 K N -0.217 120.186 120.400 0.004 0.000 2.026 536 K HA -0.128 4.195 4.320 0.005 0.000 0.208 536 K C 2.200 178.805 176.600 0.009 0.000 1.048 536 K CA 1.722 58.009 56.287 0.000 0.000 0.929 536 K CB -0.202 32.296 32.500 -0.004 0.000 0.713 536 K HN 0.432 nan 8.250 nan 0.000 0.439 537 S N 1.255 116.963 115.700 0.014 0.000 2.368 537 S HA -0.054 4.419 4.470 0.005 0.000 0.224 537 S C 1.916 176.540 174.600 0.040 0.000 1.029 537 S CA 0.987 59.202 58.200 0.024 0.000 0.988 537 S CB -0.179 63.031 63.200 0.016 0.000 0.838 537 S HN 0.243 nan 8.310 nan 0.000 0.462 538 L N 1.538 122.781 121.223 0.033 0.000 2.046 538 L HA -0.172 4.170 4.340 0.005 0.000 0.208 538 L C 2.077 178.981 176.870 0.057 0.000 1.077 538 L CA 1.330 56.197 54.840 0.045 0.000 0.747 538 L CB -0.752 41.324 42.059 0.027 0.000 0.896 538 L HN 0.350 nan 8.230 nan 0.000 0.432 539 N N -0.452 118.272 118.700 0.039 0.000 2.166 539 N HA -0.197 4.545 4.740 0.005 0.000 0.186 539 N C 1.734 177.286 175.510 0.070 0.000 1.019 539 N CA 1.052 54.126 53.050 0.041 0.000 0.856 539 N CB 0.014 38.508 38.487 0.013 0.000 0.993 539 N HN 0.362 nan 8.380 nan 0.000 0.426 540 E N 0.406 120.643 120.200 0.062 0.000 2.072 540 E HA -0.118 4.235 4.350 0.005 0.000 0.191 540 E C 1.865 178.554 176.600 0.149 0.000 0.985 540 E CA 0.970 57.425 56.400 0.092 0.000 0.801 540 E CB 0.045 29.781 29.700 0.060 0.000 0.750 540 E HN 0.385 nan 8.360 nan 0.000 0.452 541 M N 0.076 119.762 119.600 0.143 0.000 2.175 541 M HA -0.131 4.352 4.480 0.005 0.000 0.264 541 M C 2.269 178.625 176.300 0.093 0.000 1.063 541 M CA 0.775 56.198 55.300 0.204 0.000 1.119 541 M CB -0.111 32.643 32.600 0.256 0.000 1.377 541 M HN 0.153 nan 8.290 nan 0.000 0.415 542 L N 0.091 121.369 121.223 0.091 0.000 2.027 542 L HA -0.148 4.195 4.340 0.005 0.000 0.206 542 L C 2.193 179.055 176.870 -0.013 0.000 1.074 542 L CA 1.806 56.671 54.840 0.042 0.000 0.745 542 L CB -0.930 41.162 42.059 0.055 0.000 0.898 542 L HN 0.198 nan 8.230 nan 0.000 0.433 543 F N 0.499 120.392 119.950 -0.095 0.000 2.126 543 F HA -0.247 4.283 4.527 0.004 0.000 0.299 543 F C 2.540 178.232 175.800 -0.181 0.000 1.096 543 F CA 1.846 59.778 58.000 -0.112 0.000 1.255 543 F CB -0.234 38.720 39.000 -0.077 0.000 0.997 543 F HN 0.041 nan 8.300 nan 0.000 0.479 544 R N -0.040 120.322 120.500 -0.229 0.000 2.092 544 R HA -0.052 4.291 4.340 0.005 0.000 0.231 544 R C 2.499 178.286 176.300 -0.855 0.000 1.119 544 R CA 1.068 56.875 56.100 -0.488 0.000 0.970 544 R CB -0.799 29.316 30.300 -0.309 0.000 0.864 544 R HN 0.386 nan 8.270 nan 0.000 0.440 545 A N 1.149 123.389 122.820 -0.966 0.000 1.902 545 A HA -0.228 4.095 4.320 0.005 0.000 0.217 545 A C 2.033 179.396 177.584 -0.369 0.000 1.181 545 A CA 1.301 52.918 52.037 -0.699 0.000 0.623 545 A CB -0.381 18.454 19.000 -0.274 0.000 0.818 545 A HN 0.319 nan 8.150 nan 0.000 0.443 546 Q N -1.164 118.437 119.800 -0.332 0.000 2.119 546 Q HA -0.103 4.239 4.340 0.005 0.000 0.201 546 Q C 2.323 178.134 176.000 -0.316 0.000 0.972 546 Q CA 0.941 56.584 55.803 -0.266 0.000 0.847 546 Q CB -0.101 28.503 28.738 -0.224 0.000 0.903 546 Q HN 0.393 nan 8.270 nan 0.000 0.433 547 R N -0.125 120.095 120.500 -0.466 0.000 2.092 547 R HA -0.048 4.295 4.340 0.005 0.000 0.231 547 R C 2.153 178.298 176.300 -0.258 0.000 1.119 547 R CA 1.330 57.183 56.100 -0.412 0.000 0.970 547 R CB -0.889 29.084 30.300 -0.544 0.000 0.864 547 R HN 0.280 nan 8.270 nan 0.000 0.440 548 T N 0.882 115.286 114.554 -0.249 0.000 2.746 548 T HA -0.142 4.211 4.350 0.005 0.000 0.267 548 T C 1.709 176.343 174.700 -0.110 0.000 1.039 548 T CA 1.337 63.351 62.100 -0.144 0.000 1.142 548 T CB -0.055 68.760 68.868 -0.088 0.000 0.866 548 T HN 0.405 nan 8.240 nan 0.000 0.444 549 E N 0.536 120.660 120.200 -0.126 0.000 2.077 549 E HA -0.134 4.219 4.350 0.005 0.000 0.193 549 E C 2.222 178.778 176.600 -0.074 0.000 0.989 549 E CA 1.052 57.400 56.400 -0.087 0.000 0.800 549 E CB -0.079 29.568 29.700 -0.088 0.000 0.746 549 E HN 0.257 nan 8.360 nan 0.000 0.452 550 V N 1.314 121.169 119.914 -0.099 0.000 2.332 550 V HA -0.293 3.830 4.120 0.005 0.000 0.248 550 V C 2.486 178.539 176.094 -0.069 0.000 1.055 550 V CA 1.865 64.119 62.300 -0.077 0.000 1.038 550 V CB -0.872 30.890 31.823 -0.101 0.000 0.651 550 V HN 0.436 nan 8.190 nan 0.000 0.450 551 A N 0.541 123.309 122.820 -0.087 0.000 1.908 551 A HA -0.123 4.200 4.320 0.005 0.000 0.218 551 A C 2.431 179.985 177.584 -0.050 0.000 1.181 551 A CA 2.074 54.065 52.037 -0.077 0.000 0.627 551 A CB -1.268 17.685 19.000 -0.077 0.000 0.818 551 A HN 0.537 nan 8.150 nan 0.000 0.445 552 G N -0.812 107.977 108.800 -0.019 0.000 2.418 552 G HA2 -0.202 3.761 3.960 0.005 0.000 0.217 552 G HA3 -0.202 3.761 3.960 0.005 0.000 0.217 552 G C 1.518 176.412 174.900 -0.011 0.000 1.158 552 G CA 1.559 46.677 45.100 0.030 0.000 0.771 552 G HN 0.459 nan 8.290 nan 0.000 0.545 553 M N 1.181 120.767 119.600 -0.023 0.000 2.065 553 M HA -0.044 4.439 4.480 0.005 0.000 0.259 553 M C 2.535 178.825 176.300 -0.016 0.000 1.069 553 M CA 2.262 57.547 55.300 -0.025 0.000 1.110 553 M CB -1.060 31.534 32.600 -0.011 0.000 1.328 553 M HN 0.131 nan 8.290 nan 0.000 0.405 554 T N 0.792 115.353 114.554 0.012 0.000 2.635 554 T HA -0.155 4.197 4.350 0.005 0.000 0.267 554 T C 1.793 176.460 174.700 -0.055 0.000 1.040 554 T CA 2.028 64.167 62.100 0.065 0.000 1.156 554 T CB -0.846 68.071 68.868 0.081 0.000 0.863 554 T HN 0.590 nan 8.240 nan 0.000 0.430 555 A N 1.602 124.327 122.820 -0.158 0.000 1.902 555 A HA -0.191 4.132 4.320 0.005 0.000 0.217 555 A C 2.275 179.712 177.584 -0.245 0.000 1.181 555 A CA 2.116 53.945 52.037 -0.346 0.000 0.623 555 A CB -0.647 17.911 19.000 -0.737 0.000 0.818 555 A HN 0.680 nan 8.150 nan 0.000 0.443 556 Q N -0.416 119.310 119.800 -0.123 0.000 2.062 556 Q HA 0.090 4.433 4.340 0.005 0.000 0.196 556 Q C 1.870 177.820 176.000 -0.083 0.000 0.967 556 Q CA 1.667 57.428 55.803 -0.069 0.000 0.832 556 Q CB -0.638 28.075 28.738 -0.042 0.000 0.899 556 Q HN 0.525 nan 8.270 nan 0.000 0.442 557 I N 0.489 120.995 120.570 -0.108 0.000 2.394 557 I HA -0.190 3.983 4.170 0.005 0.000 0.251 557 I C 1.212 177.267 176.117 -0.103 0.000 1.136 557 I CA 1.029 62.211 61.300 -0.196 0.000 1.425 557 I CB -0.023 37.757 38.000 -0.366 0.000 1.079 557 I HN 0.319 nan 8.210 nan 0.000 0.425 558 N N 0.501 119.203 118.700 0.004 0.000 2.376 558 N HA -0.053 4.690 4.740 0.005 0.000 0.177 558 N C 1.782 177.321 175.510 0.048 0.000 1.024 558 N CA 0.612 53.730 53.050 0.113 0.000 0.893 558 N CB -0.056 38.457 38.487 0.045 0.000 0.980 558 N HN 0.390 nan 8.380 nan 0.000 0.439 559 R N 1.304 121.791 120.500 -0.022 0.000 2.090 559 R HA -0.017 4.326 4.340 0.005 0.000 0.228 559 R C 2.189 178.526 176.300 0.063 0.000 1.110 559 R CA 0.882 56.977 56.100 -0.009 0.000 0.973 559 R CB -0.034 30.236 30.300 -0.051 0.000 0.869 559 R HN 0.181 nan 8.270 nan 0.000 0.440 560 K N 1.019 121.445 120.400 0.042 0.000 2.032 560 K HA -0.163 4.160 4.320 0.005 0.000 0.209 560 K C 2.048 178.716 176.600 0.112 0.000 1.048 560 K CA 1.194 57.522 56.287 0.067 0.000 0.927 560 K CB -0.153 32.344 32.500 -0.005 0.000 0.712 560 K HN 0.109 nan 8.250 nan 0.000 0.441 561 L N 1.537 122.841 121.223 0.136 0.000 2.012 561 L HA -0.173 4.170 4.340 0.005 0.000 0.210 561 L C 2.304 179.308 176.870 0.222 0.000 1.073 561 L CA 1.492 56.464 54.840 0.219 0.000 0.748 561 L CB -0.903 41.377 42.059 0.368 0.000 0.891 561 L HN 0.368 nan 8.230 nan 0.000 0.431 562 L N 0.853 122.206 121.223 0.217 0.000 2.012 562 L HA -0.240 4.103 4.340 0.005 0.000 0.210 562 L C 2.575 179.752 176.870 0.513 0.000 1.073 562 L CA 2.385 57.396 54.840 0.284 0.000 0.748 562 L CB -0.643 41.486 42.059 0.116 0.000 0.891 562 L HN 0.452 nan 8.230 nan 0.000 0.431 563 I N -3.190 117.623 120.570 0.406 0.000 2.315 563 I HA -0.181 3.991 4.170 0.005 0.000 0.248 563 I C 1.991 178.217 176.117 0.181 0.000 1.117 563 I CA 1.553 63.074 61.300 0.369 0.000 1.404 563 I CB -0.856 37.320 38.000 0.293 0.000 1.071 563 I HN 0.224 nan 8.210 nan 0.000 0.419 564 N N 1.871 120.672 118.700 0.168 0.000 2.223 564 N HA -0.158 4.585 4.740 0.005 0.000 0.185 564 N C 2.164 177.749 175.510 0.125 0.000 1.016 564 N CA 1.966 55.091 53.050 0.125 0.000 0.863 564 N CB -0.440 38.100 38.487 0.090 0.000 0.983 564 N HN 0.664 nan 8.380 nan 0.000 0.429 565 S N 0.199 115.996 115.700 0.163 0.000 2.447 565 S HA -0.036 4.437 4.470 0.005 0.000 0.233 565 S C 1.889 176.494 174.600 0.009 0.000 1.006 565 S CA 0.288 58.569 58.200 0.135 0.000 0.957 565 S CB -0.394 62.929 63.200 0.204 0.000 0.773 565 S HN 0.170 nan 8.310 nan 0.000 0.507 566 L N 2.255 123.405 121.223 -0.122 0.000 2.083 566 L HA 0.178 4.521 4.340 0.005 0.000 0.209 566 L C 2.675 179.366 176.870 -0.299 0.000 1.083 566 L CA 1.570 56.093 54.840 -0.528 0.000 0.752 566 L CB -1.453 39.960 42.059 -1.077 0.000 0.899 566 L HN 0.365 nan 8.230 nan 0.000 0.433 567 A N -0.719 122.021 122.820 -0.132 0.000 1.908 567 A HA -0.090 4.233 4.320 0.005 0.000 0.218 567 A C 2.307 179.900 177.584 0.015 0.000 1.181 567 A CA 1.626 53.635 52.037 -0.047 0.000 0.627 567 A CB -1.429 17.631 19.000 0.100 0.000 0.818 567 A HN 0.518 nan 8.150 nan 0.000 0.445 568 G N -1.029 107.810 108.800 0.064 0.000 2.430 568 G HA2 0.155 4.118 3.960 0.005 0.000 0.216 568 G HA3 0.155 4.118 3.960 0.005 0.000 0.216 568 G C 1.664 176.595 174.900 0.052 0.000 1.146 568 G CA 1.088 46.261 45.100 0.123 0.000 0.793 568 G HN 0.750 nan 8.290 nan 0.000 0.537 569 A N 0.941 123.689 122.820 -0.121 0.000 1.940 569 A HA 0.042 4.365 4.320 0.005 0.000 0.219 569 A C 2.324 179.865 177.584 -0.070 0.000 1.176 569 A CA 1.136 52.975 52.037 -0.329 0.000 0.631 569 A CB -0.407 17.986 19.000 -1.011 0.000 0.814 569 A HN 0.354 nan 8.150 nan 0.000 0.446 570 L N -0.878 120.352 121.223 0.011 0.000 2.261 570 L HA -0.111 4.232 4.340 0.005 0.000 0.216 570 L C 2.176 179.024 176.870 -0.038 0.000 1.114 570 L CA 0.867 55.787 54.840 0.133 0.000 0.777 570 L CB -0.279 41.766 42.059 -0.023 0.000 0.910 570 L HN 0.490 nan 8.230 nan 0.000 0.440 571 G N -1.297 107.516 108.800 0.020 0.000 3.502 571 G HA2 -0.016 3.947 3.960 0.005 0.000 0.267 571 G HA3 -0.016 3.947 3.960 0.005 0.000 0.267 571 G C 0.085 175.241 174.900 0.428 0.000 1.090 571 G CA -0.262 44.870 45.100 0.054 0.000 0.795 571 G HN 0.140 nan 8.290 nan 0.000 0.535 572 N N 1.062 120.031 118.700 0.448 0.000 2.417 572 N HA 0.110 4.853 4.740 0.005 0.000 0.274 572 N C 1.592 177.188 175.510 0.144 0.000 0.987 572 N CA -0.390 52.847 53.050 0.312 0.000 0.912 572 N CB 2.366 41.007 38.487 0.257 0.000 1.177 572 N HN -0.037 nan 8.380 nan 0.000 0.490 573 V N 1.979 121.699 119.914 -0.324 0.000 2.828 573 V HA -0.088 4.035 4.120 0.005 0.000 0.260 573 V C 1.139 176.953 176.094 -0.466 0.000 1.101 573 V CA 1.048 62.842 62.300 -0.843 0.000 1.123 573 V CB -0.901 30.426 31.823 -0.827 0.000 0.704 573 V HN 0.651 nan 8.190 nan 0.000 0.493 574 W N -1.368 119.939 121.300 0.012 0.000 3.139 574 W HA 0.408 5.071 4.660 0.005 0.000 0.260 574 W C 0.940 177.573 176.519 0.189 0.000 1.312 574 W CA -0.793 56.598 57.345 0.076 0.000 1.606 574 W CB -0.091 29.402 29.460 0.055 0.000 1.118 574 W HN 0.161 nan 8.180 nan 0.000 0.675 575 F N 2.213 122.297 119.950 0.224 0.000 2.456 575 F HA 0.174 4.704 4.527 0.005 0.000 0.358 575 F C 1.860 177.732 175.800 0.119 0.000 1.095 575 F CA -1.138 56.983 58.000 0.203 0.000 1.216 575 F CB 0.741 39.883 39.000 0.238 0.000 1.125 575 F HN -0.187 nan 8.300 nan 0.000 0.549 576 R N 3.488 123.775 120.500 -0.355 0.000 2.127 576 R HA -0.198 4.145 4.340 0.005 0.000 0.238 576 R C 0.387 176.166 176.300 -0.869 0.000 1.134 576 R CA 1.805 57.518 56.100 -0.645 0.000 0.975 576 R CB -0.230 29.535 30.300 -0.891 0.000 0.865 576 R HN 0.721 nan 8.270 nan 0.000 0.447 577 Y N -1.250 118.574 120.300 -0.793 0.000 2.708 577 Y HA 0.111 4.664 4.550 0.005 0.000 0.287 577 Y C -0.489 175.342 175.900 -0.116 0.000 1.145 577 Y CA -0.960 56.867 58.100 -0.454 0.000 1.249 577 Y CB -0.310 37.840 38.460 -0.517 0.000 1.152 577 Y HN 0.023 nan 8.280 nan 0.000 0.532 578 Y N 2.630 122.900 120.300 -0.051 0.000 2.805 578 Y HA 0.105 4.658 4.550 0.005 0.000 0.331 578 Y C -0.102 175.701 175.900 -0.161 0.000 1.241 578 Y CA 0.515 58.587 58.100 -0.048 0.000 1.546 578 Y CB 0.358 38.675 38.460 -0.238 0.000 1.248 578 Y HN 0.204 nan 8.280 nan 0.000 0.559 579 D N 6.596 126.564 120.400 -0.720 0.000 2.419 579 D HA 0.065 4.708 4.640 0.005 0.000 0.219 579 D C 0.038 175.939 176.300 -0.666 0.000 1.349 579 D CA -0.375 53.258 54.000 -0.612 0.000 0.964 579 D CB 0.691 41.347 40.800 -0.239 0.000 1.463 579 D HN 0.755 nan 8.370 nan 0.000 0.573 580 L N 2.583 123.344 121.223 -0.770 0.000 2.265 580 L HA -0.088 4.255 4.340 0.005 0.000 0.215 580 L C 2.349 178.992 176.870 -0.379 0.000 1.117 580 L CA 0.850 55.334 54.840 -0.594 0.000 0.782 580 L CB -0.020 41.792 42.059 -0.412 0.000 0.914 580 L HN 0.249 nan 8.230 nan 0.000 0.441 581 R N -0.277 120.053 120.500 -0.284 0.000 2.075 581 R HA -0.119 4.224 4.340 0.005 0.000 0.232 581 R C 2.017 178.229 176.300 -0.147 0.000 1.126 581 R CA 1.355 57.341 56.100 -0.189 0.000 0.963 581 R CB -0.296 29.905 30.300 -0.165 0.000 0.858 581 R HN 0.387 nan 8.270 nan 0.000 0.435 582 N N 0.728 119.334 118.700 -0.158 0.000 2.171 582 N HA -0.057 4.686 4.740 0.005 0.000 0.184 582 N C 1.672 177.061 175.510 -0.202 0.000 1.021 582 N CA 1.360 54.341 53.050 -0.114 0.000 0.854 582 N CB -0.366 38.064 38.487 -0.094 0.000 0.994 582 N HN 0.184 nan 8.380 nan 0.000 0.426 583 A N 0.576 123.209 122.820 -0.311 0.000 1.908 583 A HA -0.174 4.149 4.320 0.005 0.000 0.218 583 A C 2.338 179.761 177.584 -0.269 0.000 1.181 583 A CA 2.526 54.334 52.037 -0.382 0.000 0.627 583 A CB -1.226 17.309 19.000 -0.775 0.000 0.818 583 A HN 0.518 nan 8.150 nan 0.000 0.445 584 T N -2.552 111.854 114.554 -0.246 0.000 2.985 584 T HA 0.231 4.584 4.350 0.005 0.000 0.266 584 T C 1.923 176.591 174.700 -0.053 0.000 1.076 584 T CA 1.311 63.373 62.100 -0.064 0.000 1.135 584 T CB -0.460 68.383 68.868 -0.040 0.000 0.890 584 T HN 0.563 nan 8.240 nan 0.000 0.480 585 A N 1.771 124.544 122.820 -0.078 0.000 1.908 585 A HA 0.055 4.378 4.320 0.005 0.000 0.218 585 A C 2.316 179.852 177.584 -0.081 0.000 1.181 585 A CA 1.464 53.481 52.037 -0.033 0.000 0.627 585 A CB -0.870 18.150 19.000 0.033 0.000 0.818 585 A HN 0.595 nan 8.150 nan 0.000 0.445 586 I N 0.015 120.470 120.570 -0.192 0.000 2.133 586 I HA -0.241 3.932 4.170 0.005 0.000 0.238 586 I C 2.943 178.863 176.117 -0.328 0.000 1.074 586 I CA 1.931 63.033 61.300 -0.331 0.000 1.342 586 I CB -0.705 37.012 38.000 -0.472 0.000 1.053 586 I HN 0.542 nan 8.210 nan 0.000 0.404 587 T N -2.426 111.974 114.554 -0.257 0.000 2.821 587 T HA -0.135 4.217 4.350 0.005 0.000 0.267 587 T C 1.818 176.544 174.700 0.042 0.000 1.046 587 T CA 1.828 63.859 62.100 -0.116 0.000 1.139 587 T CB -0.894 68.020 68.868 0.076 0.000 0.871 587 T HN 0.228 nan 8.240 nan 0.000 0.454 588 T N 1.237 115.821 114.554 0.050 0.000 2.777 588 T HA 0.068 4.421 4.350 0.005 0.000 0.266 588 T C 1.342 176.087 174.700 0.075 0.000 1.040 588 T CA 1.065 63.207 62.100 0.070 0.000 1.141 588 T CB -0.625 68.271 68.868 0.048 0.000 0.868 588 T HN 0.392 nan 8.240 nan 0.000 0.444 589 F N 2.116 122.025 119.950 -0.069 0.000 2.126 589 F HA -0.003 4.527 4.527 0.005 0.000 0.299 589 F C 2.395 178.179 175.800 -0.026 0.000 1.096 589 F CA 1.286 59.239 58.000 -0.077 0.000 1.255 589 F CB -0.765 38.156 39.000 -0.131 0.000 0.997 589 F HN 0.181 nan 8.300 nan 0.000 0.479 590 G N -0.612 108.323 108.800 0.225 0.000 2.440 590 G HA2 -0.272 3.691 3.960 0.005 0.000 0.218 590 G HA3 -0.272 3.691 3.960 0.005 0.000 0.218 590 G C 1.500 176.505 174.900 0.174 0.000 1.154 590 G CA 0.841 46.082 45.100 0.234 0.000 0.767 590 G HN 0.441 nan 8.290 nan 0.000 0.552 591 Q N -0.741 119.147 119.800 0.147 0.000 2.084 591 Q HA -0.061 4.281 4.340 0.005 0.000 0.202 591 Q C 2.484 178.497 176.000 0.021 0.000 0.978 591 Q CA 1.392 57.273 55.803 0.129 0.000 0.844 591 Q CB -0.251 28.563 28.738 0.126 0.000 0.898 591 Q HN 0.574 nan 8.270 nan 0.000 0.426 592 M N 0.266 119.849 119.600 -0.028 0.000 2.067 592 M HA -0.175 4.308 4.480 0.005 0.000 0.260 592 M C 2.164 178.464 176.300 -0.000 0.000 1.069 592 M CA 1.774 57.042 55.300 -0.054 0.000 1.117 592 M CB -0.177 32.315 32.600 -0.180 0.000 1.334 592 M HN 0.222 nan 8.290 nan 0.000 0.407 593 A N 0.601 123.376 122.820 -0.075 0.000 1.892 593 A HA -0.221 4.102 4.320 0.005 0.000 0.218 593 A C 2.015 179.792 177.584 0.322 0.000 1.188 593 A CA 1.884 53.997 52.037 0.127 0.000 0.631 593 A CB -1.130 17.913 19.000 0.071 0.000 0.822 593 A HN 0.610 nan 8.150 nan 0.000 0.447 594 L N -0.262 121.097 121.223 0.226 0.000 2.017 594 L HA -0.182 4.161 4.340 0.005 0.000 0.208 594 L C 2.453 179.414 176.870 0.151 0.000 1.073 594 L CA 2.460 57.436 54.840 0.227 0.000 0.745 594 L CB -0.815 41.390 42.059 0.243 0.000 0.894 594 L HN 0.525 nan 8.230 nan 0.000 0.432 595 Q N -1.664 118.168 119.800 0.054 0.000 2.172 595 Q HA -0.209 4.134 4.340 0.005 0.000 0.200 595 Q C 1.958 177.967 176.000 0.015 0.000 0.964 595 Q CA 1.362 57.136 55.803 -0.050 0.000 0.855 595 Q CB -0.461 28.122 28.738 -0.258 0.000 0.918 595 Q HN 0.711 nan 8.270 nan 0.000 0.444 596 W N 1.126 122.368 121.300 -0.097 0.000 2.333 596 W HA -0.210 4.453 4.660 0.005 0.000 0.316 596 W C 1.688 178.097 176.519 -0.183 0.000 1.215 596 W CA 1.119 58.394 57.345 -0.117 0.000 1.278 596 W CB -0.250 29.163 29.460 -0.079 0.000 1.154 596 W HN 0.157 nan 8.180 nan 0.000 0.486 597 I N 1.458 122.084 120.570 0.093 0.000 2.546 597 I HA -0.202 3.971 4.170 0.005 0.000 0.255 597 I C 2.541 178.580 176.117 -0.131 0.000 1.163 597 I CA 1.811 63.019 61.300 -0.153 0.000 1.457 597 I CB -0.757 37.073 38.000 -0.284 0.000 1.092 597 I HN 0.087 nan 8.210 nan 0.000 0.434 598 E N 0.589 120.760 120.200 -0.047 0.000 2.038 598 E HA -0.326 4.027 4.350 0.005 0.000 0.195 598 E C 2.477 179.024 176.600 -0.088 0.000 1.000 598 E CA 1.421 57.800 56.400 -0.034 0.000 0.803 598 E CB -0.241 29.467 29.700 0.014 0.000 0.750 598 E HN 0.417 nan 8.360 nan 0.000 0.448 599 R N 0.296 120.703 120.500 -0.155 0.000 2.083 599 R HA -0.157 4.186 4.340 0.005 0.000 0.237 599 R C 2.303 178.457 176.300 -0.244 0.000 1.137 599 R CA 1.708 57.680 56.100 -0.213 0.000 0.951 599 R CB 0.008 30.115 30.300 -0.321 0.000 0.851 599 R HN 0.014 nan 8.270 nan 0.000 0.434 600 K N 0.070 120.273 120.400 -0.327 0.000 2.057 600 K HA -0.079 4.244 4.320 0.005 0.000 0.207 600 K C 2.085 178.576 176.600 -0.182 0.000 1.049 600 K CA 1.146 57.253 56.287 -0.299 0.000 0.931 600 K CB -0.317 31.967 32.500 -0.360 0.000 0.714 600 K HN 0.132 nan 8.250 nan 0.000 0.440 601 V N 2.350 122.163 119.914 -0.168 0.000 2.358 601 V HA -0.211 3.912 4.120 0.005 0.000 0.246 601 V C 2.003 178.057 176.094 -0.067 0.000 1.047 601 V CA 1.500 63.728 62.300 -0.121 0.000 1.035 601 V CB -0.506 31.229 31.823 -0.147 0.000 0.658 601 V HN 0.280 nan 8.190 nan 0.000 0.452 602 N N 0.284 118.962 118.700 -0.037 0.000 2.104 602 N HA -0.185 4.558 4.740 0.005 0.000 0.190 602 N C 1.858 177.350 175.510 -0.030 0.000 1.024 602 N CA 1.610 54.678 53.050 0.031 0.000 0.853 602 N CB -0.249 38.278 38.487 0.066 0.000 1.008 602 N HN 0.595 nan 8.380 nan 0.000 0.424 603 E N -0.513 119.648 120.200 -0.064 0.000 2.051 603 E HA -0.203 4.150 4.350 0.005 0.000 0.192 603 E C 1.772 178.327 176.600 -0.076 0.000 0.991 603 E CA 0.858 57.213 56.400 -0.075 0.000 0.799 603 E CB -0.226 29.409 29.700 -0.108 0.000 0.748 603 E HN 0.463 nan 8.360 nan 0.000 0.449 604 Y N 1.271 121.458 120.300 -0.189 0.000 2.145 604 Y HA -0.213 4.339 4.550 0.005 0.000 0.286 604 Y C 1.980 177.741 175.900 -0.233 0.000 1.145 604 Y CA 1.431 59.416 58.100 -0.192 0.000 1.148 604 Y CB -0.040 38.298 38.460 -0.203 0.000 0.981 604 Y HN -0.055 nan 8.280 nan 0.000 0.507 605 L N 0.164 121.142 121.223 -0.409 0.000 2.156 605 L HA -0.206 4.136 4.340 0.005 0.000 0.208 605 L C 2.232 178.672 176.870 -0.717 0.000 1.095 605 L CA 0.934 55.301 54.840 -0.789 0.000 0.770 605 L CB -0.627 40.625 42.059 -1.345 0.000 0.914 605 L HN 0.323 nan 8.230 nan 0.000 0.439 606 N N 0.081 118.555 118.700 -0.377 0.000 2.166 606 N HA -0.242 4.501 4.740 0.005 0.000 0.186 606 N C 1.773 177.228 175.510 -0.092 0.000 1.019 606 N CA 1.372 54.403 53.050 -0.032 0.000 0.856 606 N CB 0.028 38.555 38.487 0.067 0.000 0.993 606 N HN 0.453 nan 8.380 nan 0.000 0.426 607 E N 0.687 120.778 120.200 -0.182 0.000 2.047 607 E HA -0.110 4.243 4.350 0.005 0.000 0.191 607 E C 1.909 178.389 176.600 -0.200 0.000 0.987 607 E CA 0.729 57.025 56.400 -0.173 0.000 0.799 607 E CB 0.017 29.604 29.700 -0.190 0.000 0.752 607 E HN -0.003 nan 8.360 nan 0.000 0.449 608 V N 0.115 119.830 119.914 -0.333 0.000 2.626 608 V HA -0.185 3.938 4.120 0.005 0.000 0.252 608 V C 1.858 177.884 176.094 -0.113 0.000 1.067 608 V CA 1.499 63.644 62.300 -0.259 0.000 1.081 608 V CB -0.111 31.483 31.823 -0.381 0.000 0.686 608 V HN 0.538 nan 8.190 nan 0.000 0.468 609 C N 0.541 119.790 119.300 -0.086 0.000 2.673 609 C HA 0.459 4.922 4.460 0.005 0.000 0.264 609 C C 1.790 176.798 174.990 0.029 0.000 1.304 609 C CA 0.180 59.213 59.018 0.025 0.000 1.727 609 C CB -0.941 26.900 27.740 0.168 0.000 1.932 609 C HN 0.853 nan 8.230 nan 0.000 0.563 610 G N 2.213 111.011 108.800 -0.003 0.000 2.225 610 G HA2 -0.192 3.771 3.960 0.005 0.000 0.264 610 G HA3 -0.192 3.771 3.960 0.005 0.000 0.264 610 G C 0.072 174.984 174.900 0.021 0.000 1.060 610 G CA 0.658 45.758 45.100 -0.000 0.000 0.833 610 G HN 0.630 nan 8.290 nan 0.000 0.498 611 T N -3.373 111.208 114.554 0.046 0.000 2.762 611 T HA 0.816 5.169 4.350 0.005 0.000 0.272 611 T C -0.476 174.253 174.700 0.049 0.000 0.982 611 T CA -0.259 61.876 62.100 0.058 0.000 1.013 611 T CB 2.997 71.924 68.868 0.098 0.000 1.309 611 T HN 0.444 nan 8.240 nan 0.000 0.572 612 E N -1.107 119.120 120.200 0.046 0.000 2.291 612 E HA 0.470 4.823 4.350 0.005 0.000 0.276 612 E C 0.396 177.016 176.600 0.034 0.000 0.896 612 E CA -0.208 56.211 56.400 0.032 0.000 0.774 612 E CB 0.993 30.700 29.700 0.011 0.000 1.227 612 E HN 1.238 nan 8.360 nan 0.000 0.413 613 G N 3.427 112.251 108.800 0.040 0.000 2.155 613 G HA2 -0.310 3.652 3.960 0.005 0.000 0.257 613 G HA3 -0.310 3.652 3.960 0.005 0.000 0.257 613 G C 0.114 175.036 174.900 0.037 0.000 0.983 613 G CA 0.713 45.832 45.100 0.032 0.000 0.676 613 G HN 0.524 nan 8.290 nan 0.000 0.528 614 E N 0.468 120.704 120.200 0.060 0.000 2.283 614 E HA 0.601 4.954 4.350 0.005 0.000 0.278 614 E C 0.582 177.198 176.600 0.025 0.000 1.027 614 E CA -0.101 56.294 56.400 -0.007 0.000 0.843 614 E CB 0.770 30.407 29.700 -0.104 0.000 1.062 614 E HN 0.597 nan 8.360 nan 0.000 0.401 615 A N 5.003 127.796 122.820 -0.044 0.000 2.343 615 A HA 0.212 4.535 4.320 0.005 0.000 0.305 615 A C -0.146 177.404 177.584 -0.056 0.000 1.308 615 A CA -0.237 51.808 52.037 0.014 0.000 0.949 615 A CB -0.344 18.664 19.000 0.014 0.000 1.148 615 A HN 0.745 nan 8.150 nan 0.000 0.545 616 F N 2.206 122.175 119.950 0.032 0.000 2.387 616 F HA 0.032 4.561 4.527 0.005 0.000 0.294 616 F C 1.087 176.911 175.800 0.041 0.000 1.093 616 F CA 0.567 58.596 58.000 0.050 0.000 1.420 616 F CB 0.272 39.308 39.000 0.060 0.000 1.086 616 F HN 0.283 nan 8.300 nan 0.000 0.531 617 V N 3.491 123.528 119.914 0.205 0.000 2.405 617 V HA -0.015 4.108 4.120 0.005 0.000 0.264 617 V C 0.885 176.989 176.094 0.017 0.000 1.048 617 V CA -0.089 62.276 62.300 0.108 0.000 0.966 617 V CB 0.615 32.492 31.823 0.090 0.000 1.015 617 V HN 0.251 nan 8.190 nan 0.000 0.477 618 L N 3.850 125.016 121.223 -0.095 0.000 2.416 618 L HA 0.501 4.844 4.340 0.005 0.000 0.216 618 L C 0.279 176.971 176.870 -0.297 0.000 1.098 618 L CA 0.721 55.389 54.840 -0.288 0.000 0.840 618 L CB -0.201 41.436 42.059 -0.702 0.000 0.981 618 L HN 0.508 nan 8.230 nan 0.000 0.462 619 Y N -0.662 119.426 120.300 -0.352 0.000 2.604 619 Y HA 0.643 5.196 4.550 0.005 0.000 0.331 619 Y C -0.788 175.127 175.900 0.025 0.000 1.158 619 Y CA -0.645 57.274 58.100 -0.300 0.000 1.056 619 Y CB 1.541 39.548 38.460 -0.755 0.000 1.330 619 Y HN -0.003 nan 8.280 nan 0.000 0.457 620 G N 2.736 111.079 108.800 -0.762 0.000 2.732 620 G HA2 0.448 4.411 3.960 0.005 0.000 0.296 620 G HA3 0.448 4.411 3.960 0.005 0.000 0.296 620 G C -2.681 171.824 174.900 -0.658 0.000 1.448 620 G CA -0.616 44.234 45.100 -0.417 0.000 0.911 620 G HN 0.473 nan 8.290 nan 0.000 0.528 621 D N 0.594 120.846 120.400 -0.247 0.000 2.479 621 D HA 0.512 5.155 4.640 0.005 0.000 0.246 621 D C 1.084 177.417 176.300 0.055 0.000 1.336 621 D CA 0.599 54.535 54.000 -0.107 0.000 0.967 621 D CB 1.230 42.057 40.800 0.046 0.000 1.275 621 D HN 0.501 nan 8.370 nan 0.000 0.577 622 T N 2.590 117.195 114.554 0.084 0.000 13.097 622 T HA -0.273 4.080 4.350 0.005 0.000 0.418 622 T C 0.582 175.381 174.700 0.165 0.000 1.446 622 T CA 1.892 64.072 62.100 0.134 0.000 2.371 622 T CB -1.117 67.793 68.868 0.069 0.000 2.810 622 T HN 0.658 nan 8.240 nan 0.000 0.655 623 D N 0.844 121.326 120.400 0.136 0.000 2.567 623 D HA 0.291 4.934 4.640 0.005 0.000 0.268 623 D C -0.038 176.352 176.300 0.149 0.000 1.448 623 D CA 0.597 54.685 54.000 0.146 0.000 0.811 623 D CB -0.177 40.686 40.800 0.105 0.000 1.192 623 D HN 0.735 nan 8.370 nan 0.000 0.488 624 S N 0.466 116.254 115.700 0.147 0.000 2.536 624 S HA 0.794 5.267 4.470 0.005 0.000 0.298 624 S C -0.080 174.599 174.600 0.133 0.000 1.083 624 S CA -0.888 57.392 58.200 0.132 0.000 0.995 624 S CB 1.936 65.224 63.200 0.145 0.000 1.058 624 S HN 0.353 nan 8.310 nan 0.000 0.488 625 I N -0.753 119.876 120.570 0.099 0.000 2.689 625 I HA 0.676 4.849 4.170 0.005 0.000 0.299 625 I C -1.909 174.231 176.117 0.038 0.000 1.059 625 I CA -1.291 60.088 61.300 0.131 0.000 1.055 625 I CB 1.556 39.635 38.000 0.132 0.000 1.243 625 I HN 0.620 nan 8.210 nan 0.000 0.425 626 Y N 4.112 124.484 120.300 0.121 0.000 2.328 626 Y HA 0.627 5.180 4.550 0.005 0.000 0.336 626 Y C -0.280 175.657 175.900 0.062 0.000 0.960 626 Y CA -0.838 57.327 58.100 0.108 0.000 1.134 626 Y CB 2.139 40.603 38.460 0.007 0.000 1.166 626 Y HN 0.320 nan 8.280 nan 0.000 0.464 627 V N 2.589 122.672 119.914 0.281 0.000 2.417 627 V HA 0.302 4.425 4.120 0.005 0.000 0.291 627 V C 0.083 176.343 176.094 0.275 0.000 1.024 627 V CA -1.000 61.468 62.300 0.279 0.000 0.861 627 V CB 1.783 33.823 31.823 0.362 0.000 0.985 627 V HN 0.788 nan 8.190 nan 0.000 0.436 628 S N 3.494 119.337 115.700 0.238 0.000 2.498 628 S HA 0.390 4.863 4.470 0.005 0.000 0.281 628 S C 0.934 175.716 174.600 0.304 0.000 1.265 628 S CA 0.194 58.544 58.200 0.250 0.000 1.071 628 S CB 0.789 64.101 63.200 0.188 0.000 0.894 628 S HN 1.046 nan 8.310 nan 0.000 0.491 629 A N 4.328 127.320 122.820 0.286 0.000 2.430 629 A HA 0.254 4.577 4.320 0.005 0.000 0.243 629 A C 1.297 178.960 177.584 0.132 0.000 1.254 629 A CA -0.129 52.039 52.037 0.218 0.000 0.914 629 A CB -0.119 19.002 19.000 0.202 0.000 0.998 629 A HN 0.780 nan 8.150 nan 0.000 0.515 630 D N 1.180 121.699 120.400 0.197 0.000 2.116 630 D HA -0.188 4.455 4.640 0.005 0.000 0.193 630 D C 1.713 178.047 176.300 0.057 0.000 0.998 630 D CA 1.548 55.648 54.000 0.167 0.000 0.836 630 D CB -0.081 40.817 40.800 0.163 0.000 0.951 630 D HN 0.459 nan 8.370 nan 0.000 0.449 631 K N -0.050 120.400 120.400 0.083 0.000 2.147 631 K HA -0.063 4.260 4.320 0.005 0.000 0.205 631 K C 2.003 178.624 176.600 0.035 0.000 1.049 631 K CA 0.488 56.820 56.287 0.075 0.000 0.936 631 K CB 0.093 32.685 32.500 0.154 0.000 0.722 631 K HN 0.150 nan 8.250 nan 0.000 0.446 632 I N 1.312 121.884 120.570 0.003 0.000 2.252 632 I HA -0.234 3.939 4.170 0.005 0.000 0.245 632 I C 2.255 178.365 176.117 -0.011 0.000 1.102 632 I CA 1.190 62.432 61.300 -0.098 0.000 1.385 632 I CB -0.873 36.938 38.000 -0.315 0.000 1.064 632 I HN 0.099 nan 8.210 nan 0.000 0.414 633 I N 1.101 121.608 120.570 -0.105 0.000 2.226 633 I HA -0.251 3.922 4.170 0.005 0.000 0.245 633 I C 2.066 178.121 176.117 -0.103 0.000 1.100 633 I CA 1.497 62.676 61.300 -0.202 0.000 1.374 633 I CB -1.211 36.342 38.000 -0.745 0.000 1.057 633 I HN 0.200 nan 8.210 nan 0.000 0.413 634 D N 0.843 121.197 120.400 -0.076 0.000 2.219 634 D HA -0.136 4.507 4.640 0.005 0.000 0.205 634 D C 2.167 178.440 176.300 -0.045 0.000 0.970 634 D CA 0.859 54.834 54.000 -0.041 0.000 0.851 634 D CB -0.075 40.718 40.800 -0.012 0.000 0.943 634 D HN 0.303 nan 8.370 nan 0.000 0.488 635 K N -0.079 120.298 120.400 -0.039 0.000 2.148 635 K HA -0.025 4.298 4.320 0.005 0.000 0.204 635 K C 1.901 178.450 176.600 -0.086 0.000 1.050 635 K CA 0.413 56.678 56.287 -0.036 0.000 0.942 635 K CB 0.302 32.801 32.500 -0.002 0.000 0.724 635 K HN 0.004 nan 8.250 nan 0.000 0.446 636 V N -0.089 119.731 119.914 -0.157 0.000 2.500 636 V HA 0.084 4.207 4.120 0.005 0.000 0.243 636 V C 0.740 176.660 176.094 -0.290 0.000 1.039 636 V CA 0.886 62.999 62.300 -0.311 0.000 1.053 636 V CB -0.145 31.303 31.823 -0.625 0.000 0.695 636 V HN 0.553 nan 8.190 nan 0.000 0.463 637 G N 0.252 108.940 108.800 -0.187 0.000 3.209 637 G HA2 -0.151 3.812 3.960 0.005 0.000 0.686 637 G HA3 -0.151 3.812 3.960 0.005 0.000 0.686 637 G C 0.010 174.852 174.900 -0.098 0.000 1.065 637 G CA 0.080 45.104 45.100 -0.127 0.000 0.812 637 G HN 0.268 nan 8.290 nan 0.000 0.573 638 E N 0.445 120.664 120.200 0.032 0.000 2.204 638 E HA -0.120 4.233 4.350 0.005 0.000 0.195 638 E C 2.655 179.345 176.600 0.149 0.000 0.990 638 E CA 1.709 58.209 56.400 0.168 0.000 0.821 638 E CB 0.023 29.782 29.700 0.098 0.000 0.750 638 E HN 0.790 nan 8.360 nan 0.000 0.477 639 S N -0.100 115.614 115.700 0.024 0.000 2.481 639 S HA -0.044 4.429 4.470 0.005 0.000 0.231 639 S C 1.616 176.187 174.600 -0.048 0.000 0.996 639 S CA 0.512 58.717 58.200 0.009 0.000 0.942 639 S CB 0.052 63.245 63.200 -0.012 0.000 0.768 639 S HN 0.002 nan 8.310 nan 0.000 0.520 640 K N 0.625 120.904 120.400 -0.203 0.000 2.432 640 K HA 0.333 4.656 4.320 0.005 0.000 0.196 640 K C -0.361 176.023 176.600 -0.360 0.000 1.038 640 K CA 0.084 56.164 56.287 -0.344 0.000 0.986 640 K CB -0.223 31.951 32.500 -0.544 0.000 0.782 640 K HN 0.464 nan 8.250 nan 0.000 0.485 641 F N 0.021 119.982 119.950 0.018 0.000 2.394 641 F HA 0.276 4.805 4.527 0.004 0.000 0.340 641 F C 1.493 177.432 175.800 0.231 0.000 1.105 641 F CA -0.660 57.431 58.000 0.151 0.000 1.124 641 F CB 1.236 40.278 39.000 0.069 0.000 1.145 641 F HN -0.253 nan 8.300 nan 0.000 0.505 642 R N 0.404 121.225 120.500 0.535 0.000 2.073 642 R HA -0.004 4.339 4.340 0.005 0.000 0.229 642 R C -0.542 175.867 176.300 0.182 0.000 1.120 642 R CA 1.318 57.550 56.100 0.220 0.000 0.967 642 R CB -0.161 30.167 30.300 0.047 0.000 0.862 642 R HN 0.808 nan 8.270 nan 0.000 0.436 643 D N -3.994 116.534 120.400 0.214 0.000 2.768 643 D HA 0.092 4.735 4.640 0.005 0.000 0.327 643 D C 0.215 176.517 176.300 0.003 0.000 1.302 643 D CA -0.672 53.386 54.000 0.096 0.000 0.897 643 D CB 0.332 41.143 40.800 0.019 0.000 1.420 643 D HN -0.317 nan 8.370 nan 0.000 0.494 644 T N -0.453 113.985 114.554 -0.194 0.000 2.684 644 T HA -0.164 4.189 4.350 0.005 0.000 0.267 644 T C 1.443 175.528 174.700 -1.025 0.000 1.036 644 T CA 1.962 63.654 62.100 -0.680 0.000 1.148 644 T CB -0.604 67.715 68.868 -0.915 0.000 0.863 644 T HN 0.528 nan 8.240 nan 0.000 0.436 645 N N 0.363 118.721 118.700 -0.570 0.000 2.258 645 N HA -0.147 4.596 4.740 0.005 0.000 0.187 645 N C 1.611 176.977 175.510 -0.241 0.000 1.012 645 N CA 1.271 54.082 53.050 -0.398 0.000 0.870 645 N CB -0.269 38.116 38.487 -0.170 0.000 0.977 645 N HN 0.635 nan 8.380 nan 0.000 0.434 646 H N -1.065 117.859 119.070 -0.242 0.000 2.326 646 H HA -0.120 4.440 4.556 0.007 0.000 0.301 646 H C 1.800 177.124 175.328 -0.007 0.000 1.081 646 H CA 1.535 57.576 56.048 -0.011 0.000 1.334 646 H CB -0.221 29.647 29.762 0.177 0.000 1.385 646 H HN 0.543 nan 8.280 nan 0.000 0.504 647 W N 0.730 121.772 121.300 -0.430 0.000 2.467 647 W HA -0.012 4.652 4.660 0.006 0.000 0.275 647 W C 1.304 177.651 176.519 -0.286 0.000 1.239 647 W CA 0.561 57.389 57.345 -0.862 0.000 1.266 647 W CB -0.894 27.604 29.460 -1.603 0.000 1.112 647 W HN 0.001 nan 8.180 nan 0.000 0.576 648 V N 2.287 121.800 119.914 -0.668 0.000 2.307 648 V HA -0.295 3.828 4.120 0.005 0.000 0.245 648 V C 2.333 178.372 176.094 -0.091 0.000 1.045 648 V CA 2.479 64.497 62.300 -0.470 0.000 1.024 648 V CB -0.983 30.424 31.823 -0.694 0.000 0.651 648 V HN -0.035 nan 8.190 nan 0.000 0.449 649 D N -0.337 120.037 120.400 -0.044 0.000 2.133 649 D HA -0.210 4.433 4.640 0.005 0.000 0.195 649 D C 1.887 178.287 176.300 0.167 0.000 0.997 649 D CA 1.518 55.566 54.000 0.081 0.000 0.840 649 D CB -0.308 40.579 40.800 0.145 0.000 0.947 649 D HN 0.468 nan 8.370 nan 0.000 0.452 650 F N 1.158 121.160 119.950 0.087 0.000 2.102 650 F HA -0.101 4.429 4.527 0.004 0.000 0.298 650 F C 2.157 178.061 175.800 0.175 0.000 1.105 650 F CA 1.117 59.206 58.000 0.149 0.000 1.239 650 F CB -0.343 38.775 39.000 0.196 0.000 0.991 650 F HN -0.111 nan 8.300 nan 0.000 0.474 651 L N 0.054 121.327 121.223 0.082 0.000 2.093 651 L HA -0.185 4.158 4.340 0.005 0.000 0.208 651 L C 2.167 179.082 176.870 0.076 0.000 1.085 651 L CA 1.676 56.544 54.840 0.047 0.000 0.755 651 L CB -0.846 41.352 42.059 0.232 0.000 0.904 651 L HN 0.200 nan 8.230 nan 0.000 0.435 652 D N 0.461 120.898 120.400 0.062 0.000 2.104 652 D HA -0.255 4.388 4.640 0.005 0.000 0.194 652 D C 2.197 178.517 176.300 0.033 0.000 0.994 652 D CA 1.489 55.514 54.000 0.042 0.000 0.830 652 D CB 0.110 40.925 40.800 0.025 0.000 0.959 652 D HN 0.046 nan 8.370 nan 0.000 0.452 653 K N -1.246 119.165 120.400 0.019 0.000 2.057 653 K HA -0.132 4.191 4.320 0.005 0.000 0.206 653 K C 2.166 178.758 176.600 -0.012 0.000 1.050 653 K CA 0.852 57.144 56.287 0.008 0.000 0.935 653 K CB -0.400 32.119 32.500 0.030 0.000 0.715 653 K HN 0.190 nan 8.250 nan 0.000 0.439 654 F N 1.045 120.861 119.950 -0.223 0.000 2.134 654 F HA -0.190 4.339 4.527 0.004 0.000 0.299 654 F C 1.995 177.782 175.800 -0.021 0.000 1.097 654 F CA 1.551 59.435 58.000 -0.193 0.000 1.264 654 F CB -0.219 38.565 39.000 -0.360 0.000 1.001 654 F HN 0.079 nan 8.300 nan 0.000 0.479 655 A N 0.289 123.197 122.820 0.147 0.000 1.898 655 A HA -0.192 4.130 4.320 0.005 0.000 0.216 655 A C 2.334 179.970 177.584 0.087 0.000 1.181 655 A CA 1.726 53.889 52.037 0.211 0.000 0.620 655 A CB -0.772 18.377 19.000 0.248 0.000 0.819 655 A HN 0.461 nan 8.150 nan 0.000 0.442 656 R N -0.525 119.992 120.500 0.028 0.000 2.093 656 R HA -0.038 4.305 4.340 0.005 0.000 0.224 656 R C 1.724 177.995 176.300 -0.048 0.000 1.101 656 R CA 1.484 57.587 56.100 0.005 0.000 0.979 656 R CB -0.106 30.197 30.300 0.005 0.000 0.877 656 R HN 0.633 nan 8.270 nan 0.000 0.441 657 E N -1.028 119.119 120.200 -0.088 0.000 2.364 657 E HA 0.020 4.372 4.350 0.005 0.000 0.196 657 E C 1.587 178.086 176.600 -0.169 0.000 0.990 657 E CA 0.183 56.523 56.400 -0.100 0.000 0.886 657 E CB 0.566 30.228 29.700 -0.063 0.000 0.866 657 E HN 0.151 nan 8.360 nan 0.000 0.493 658 R N -0.498 119.821 120.500 -0.301 0.000 2.215 658 R HA 0.275 4.618 4.340 0.005 0.000 0.190 658 R C 2.094 178.107 176.300 -0.477 0.000 0.968 658 R CA 0.384 56.250 56.100 -0.390 0.000 1.122 658 R CB -0.260 29.650 30.300 -0.650 0.000 1.151 658 R HN 0.123 nan 8.270 nan 0.000 0.582 659 M N 0.932 120.255 119.600 -0.462 0.000 2.160 659 M HA 0.002 4.485 4.480 0.005 0.000 0.264 659 M C 1.871 177.944 176.300 -0.378 0.000 1.073 659 M CA 1.594 56.627 55.300 -0.445 0.000 1.142 659 M CB -0.288 32.165 32.600 -0.244 0.000 1.358 659 M HN 0.115 nan 8.290 nan 0.000 0.422 660 E N 0.277 120.377 120.200 -0.166 0.000 2.058 660 E HA -0.190 4.163 4.350 0.005 0.000 0.194 660 E C -0.709 175.823 176.600 -0.115 0.000 0.997 660 E CA 1.287 57.645 56.400 -0.070 0.000 0.801 660 E CB -1.142 28.584 29.700 0.044 0.000 0.746 660 E HN 0.361 nan 8.360 nan 0.000 0.450 661 P HA -0.177 nan 4.420 nan 0.000 0.215 661 P C 1.061 178.230 177.300 -0.218 0.000 1.153 661 P CA 1.833 64.843 63.100 -0.149 0.000 0.853 661 P CB -0.003 31.607 31.700 -0.150 0.000 0.788 662 A N -0.859 121.715 122.820 -0.410 0.000 1.933 662 A HA -0.167 4.156 4.320 0.005 0.000 0.218 662 A C 2.205 179.575 177.584 -0.357 0.000 1.175 662 A CA 1.379 53.096 52.037 -0.534 0.000 0.628 662 A CB -1.591 16.673 19.000 -1.228 0.000 0.814 662 A HN 0.111 nan 8.150 nan 0.000 0.444 663 I N -0.111 120.271 120.570 -0.312 0.000 2.252 663 I HA -0.224 3.949 4.170 0.005 0.000 0.245 663 I C 1.834 177.940 176.117 -0.017 0.000 1.102 663 I CA 1.390 62.570 61.300 -0.200 0.000 1.385 663 I CB -0.416 37.497 38.000 -0.146 0.000 1.064 663 I HN 0.250 nan 8.210 nan 0.000 0.414 664 D N 0.795 121.229 120.400 0.056 0.000 2.117 664 D HA -0.160 4.483 4.640 0.005 0.000 0.197 664 D C 2.320 178.656 176.300 0.061 0.000 0.987 664 D CA 1.197 55.298 54.000 0.168 0.000 0.829 664 D CB -0.284 40.595 40.800 0.131 0.000 0.961 664 D HN 0.287 nan 8.370 nan 0.000 0.460 665 R N 0.295 120.779 120.500 -0.028 0.000 2.081 665 R HA -0.060 4.283 4.340 0.005 0.000 0.235 665 R C 2.427 178.718 176.300 -0.015 0.000 1.131 665 R CA 1.248 57.321 56.100 -0.044 0.000 0.960 665 R CB -0.563 29.695 30.300 -0.070 0.000 0.856 665 R HN 0.181 nan 8.270 nan 0.000 0.436 666 G N 0.426 109.203 108.800 -0.037 0.000 2.418 666 G HA2 -0.242 3.721 3.960 0.005 0.000 0.217 666 G HA3 -0.242 3.721 3.960 0.005 0.000 0.217 666 G C 1.067 176.064 174.900 0.162 0.000 1.158 666 G CA 0.529 45.646 45.100 0.028 0.000 0.771 666 G HN 0.154 nan 8.290 nan 0.000 0.545 667 F N 0.867 120.895 119.950 0.130 0.000 2.206 667 F HA 0.186 4.715 4.527 0.005 0.000 0.298 667 F C 2.841 178.564 175.800 -0.128 0.000 1.090 667 F CA 0.605 58.630 58.000 0.041 0.000 1.323 667 F CB -0.272 38.839 39.000 0.185 0.000 1.028 667 F HN -0.006 nan 8.300 nan 0.000 0.492 668 R N 0.049 120.479 120.500 -0.117 0.000 2.105 668 R HA -0.201 4.142 4.340 0.005 0.000 0.239 668 R C 2.131 178.388 176.300 -0.072 0.000 1.135 668 R CA 1.597 57.524 56.100 -0.289 0.000 0.967 668 R CB -0.485 29.641 30.300 -0.290 0.000 0.861 668 R HN 0.369 nan 8.270 nan 0.000 0.442 669 E N 0.725 120.938 120.200 0.021 0.000 2.072 669 E HA -0.196 4.157 4.350 0.005 0.000 0.191 669 E C 2.018 178.636 176.600 0.030 0.000 0.985 669 E CA 0.917 57.369 56.400 0.087 0.000 0.801 669 E CB 0.033 29.858 29.700 0.208 0.000 0.750 669 E HN 0.223 nan 8.360 nan 0.000 0.452 670 M N 0.224 119.730 119.600 -0.156 0.000 2.159 670 M HA -0.168 4.315 4.480 0.005 0.000 0.263 670 M C 2.511 178.682 176.300 -0.215 0.000 1.063 670 M CA 1.290 56.223 55.300 -0.611 0.000 1.110 670 M CB -0.259 31.685 32.600 -1.093 0.000 1.374 670 M HN 0.385 nan 8.290 nan 0.000 0.411 671 C N 0.753 120.022 119.300 -0.053 0.000 2.413 671 C HA -0.191 4.272 4.460 0.005 0.000 0.276 671 C C 2.478 177.480 174.990 0.020 0.000 1.248 671 C CA 1.941 60.977 59.018 0.030 0.000 1.742 671 C CB -0.893 26.892 27.740 0.075 0.000 2.017 671 C HN 0.668 nan 8.230 nan 0.000 0.481 672 E N -0.866 119.348 120.200 0.024 0.000 2.072 672 E HA -0.186 4.166 4.350 0.005 0.000 0.191 672 E C 1.967 178.621 176.600 0.090 0.000 0.985 672 E CA 1.391 57.818 56.400 0.045 0.000 0.801 672 E CB -0.636 29.091 29.700 0.044 0.000 0.750 672 E HN 0.756 nan 8.360 nan 0.000 0.452 673 Y N 0.141 120.398 120.300 -0.071 0.000 2.165 673 Y HA -0.140 4.413 4.550 0.005 0.000 0.286 673 Y C 1.702 177.550 175.900 -0.088 0.000 1.155 673 Y CA 1.444 59.505 58.100 -0.066 0.000 1.164 673 Y CB -0.112 38.290 38.460 -0.098 0.000 0.978 673 Y HN 0.103 nan 8.280 nan 0.000 0.513 674 M N 0.179 119.699 119.600 -0.134 0.000 2.561 674 M HA 0.010 4.493 4.480 0.005 0.000 0.238 674 M C 0.704 176.950 176.300 -0.089 0.000 1.131 674 M CA 0.617 55.802 55.300 -0.192 0.000 1.046 674 M CB -1.488 31.069 32.600 -0.071 0.000 1.532 674 M HN 0.355 nan 8.290 nan 0.000 0.497 675 N N 2.405 121.081 118.700 -0.040 0.000 2.721 675 N HA -0.208 4.534 4.740 0.005 0.000 0.249 675 N C -0.818 174.694 175.510 0.005 0.000 1.072 675 N CA 0.384 53.424 53.050 -0.015 0.000 0.710 675 N CB -1.467 36.999 38.487 -0.034 0.000 0.993 675 N HN 0.539 nan 8.380 nan 0.000 0.547 676 N N 0.208 118.914 118.700 0.010 0.000 2.371 676 N HA 0.036 4.779 4.740 0.005 0.000 0.243 676 N C 1.267 176.773 175.510 -0.007 0.000 1.287 676 N CA -0.043 53.004 53.050 -0.004 0.000 0.911 676 N CB 0.553 39.029 38.487 -0.019 0.000 1.142 676 N HN 0.263 nan 8.380 nan 0.000 0.451 677 K N 0.410 120.792 120.400 -0.030 0.000 2.057 677 K HA -0.119 4.204 4.320 0.005 0.000 0.206 677 K C 0.113 176.701 176.600 -0.019 0.000 1.050 677 K CA 1.287 57.563 56.287 -0.019 0.000 0.935 677 K CB 0.219 32.699 32.500 -0.033 0.000 0.715 677 K HN 0.567 nan 8.250 nan 0.000 0.439 678 Q N -0.175 119.599 119.800 -0.043 0.000 2.295 678 Q HA 0.033 4.376 4.340 0.005 0.000 0.268 678 Q C -1.901 174.077 176.000 -0.037 0.000 1.010 678 Q CA -0.741 55.047 55.803 -0.026 0.000 0.856 678 Q CB 1.288 29.994 28.738 -0.054 0.000 1.349 678 Q HN 0.301 nan 8.270 nan 0.000 0.412 679 H N 4.800 123.836 119.070 -0.056 0.000 2.955 679 H HA 0.248 4.807 4.556 0.005 0.000 0.290 679 H C -0.596 174.601 175.328 -0.217 0.000 1.047 679 H CA 0.705 56.705 56.048 -0.079 0.000 1.484 679 H CB 0.256 30.037 29.762 0.032 0.000 1.501 679 H HN 0.642 nan 8.280 nan 0.000 0.521 680 L N 4.898 125.606 121.223 -0.858 0.000 3.410 680 L HA 0.199 4.542 4.340 0.005 0.000 0.309 680 L C -0.330 175.641 176.870 -1.498 0.000 1.254 680 L CA -0.171 53.856 54.840 -1.354 0.000 1.048 680 L CB 0.338 41.924 42.059 -0.788 0.000 1.442 680 L HN 0.624 nan 8.230 nan 0.000 0.615 681 M N 1.567 120.494 119.600 -1.120 0.000 2.497 681 M HA 0.266 4.749 4.480 0.005 0.000 0.336 681 M C -1.068 174.917 176.300 -0.525 0.000 1.378 681 M CA 0.235 55.039 55.300 -0.827 0.000 1.375 681 M CB -0.526 31.491 32.600 -0.973 0.000 1.337 681 M HN -0.111 nan 8.290 nan 0.000 0.461 682 F N 3.373 123.175 119.950 -0.247 0.000 2.332 682 F HA 0.473 5.004 4.527 0.005 0.000 0.368 682 F C 0.340 176.148 175.800 0.013 0.000 1.110 682 F CA -1.161 56.796 58.000 -0.071 0.000 1.087 682 F CB 0.644 39.604 39.000 -0.066 0.000 1.235 682 F HN 0.442 nan 8.300 nan 0.000 0.470 683 M N 4.720 124.503 119.600 0.304 0.000 2.047 683 M HA 0.399 4.882 4.480 0.005 0.000 0.342 683 M C -1.398 175.087 176.300 0.308 0.000 1.058 683 M CA -0.244 55.233 55.300 0.296 0.000 0.991 683 M CB 0.265 33.108 32.600 0.407 0.000 1.474 683 M HN 0.365 nan 8.290 nan 0.000 0.419 684 D N 3.471 124.023 120.400 0.253 0.000 2.268 684 D HA 0.318 4.961 4.640 0.005 0.000 0.249 684 D C -0.322 176.084 176.300 0.176 0.000 1.008 684 D CA -0.406 53.724 54.000 0.215 0.000 0.939 684 D CB 1.258 42.124 40.800 0.111 0.000 1.170 684 D HN 0.527 nan 8.370 nan 0.000 0.468 685 R N 1.400 121.926 120.500 0.043 0.000 2.538 685 R HA -0.048 4.295 4.340 0.005 0.000 0.282 685 R C 0.548 176.697 176.300 -0.252 0.000 1.009 685 R CA 0.587 56.430 56.100 -0.428 0.000 1.063 685 R CB 0.621 30.684 30.300 -0.394 0.000 0.945 685 R HN 0.664 nan 8.270 nan 0.000 0.414 686 E N 2.796 122.810 120.200 -0.310 0.000 2.098 686 E HA 0.221 4.574 4.350 0.005 0.000 0.196 686 E C -0.567 175.969 176.600 -0.106 0.000 0.955 686 E CA 0.150 56.463 56.400 -0.145 0.000 0.936 686 E CB 0.322 29.961 29.700 -0.101 0.000 1.054 686 E HN 0.675 nan 8.360 nan 0.000 0.482 687 A N 0.926 123.689 122.820 -0.095 0.000 2.325 687 A HA 0.622 4.945 4.320 0.005 0.000 0.333 687 A C -0.800 176.816 177.584 0.054 0.000 1.155 687 A CA -0.568 51.486 52.037 0.028 0.000 0.814 687 A CB 0.749 19.826 19.000 0.128 0.000 1.206 687 A HN 0.368 nan 8.150 nan 0.000 0.482 688 I N 1.615 122.275 120.570 0.150 0.000 2.389 688 I HA 0.571 4.744 4.170 0.005 0.000 0.288 688 I C 0.288 176.666 176.117 0.436 0.000 0.999 688 I CA -0.145 61.316 61.300 0.268 0.000 1.129 688 I CB 1.786 39.925 38.000 0.231 0.000 1.288 688 I HN 0.725 nan 8.210 nan 0.000 0.444 689 A N 4.615 127.746 122.820 0.519 0.000 2.435 689 A HA 1.014 5.337 4.320 0.005 0.000 0.304 689 A C -0.342 177.643 177.584 0.668 0.000 1.064 689 A CA -0.482 51.888 52.037 0.555 0.000 0.727 689 A CB 1.918 21.134 19.000 0.361 0.000 1.284 689 A HN 0.873 nan 8.150 nan 0.000 0.415 690 G N 0.646 109.879 108.800 0.721 0.000 2.328 690 G HA2 0.606 4.569 3.960 0.005 0.000 0.295 690 G HA3 0.606 4.569 3.960 0.005 0.000 0.295 690 G C -3.576 171.668 174.900 0.573 0.000 1.413 690 G CA -0.595 44.760 45.100 0.425 0.000 0.817 690 G HN 0.595 nan 8.290 nan 0.000 0.546 691 P HA 0.390 nan 4.420 nan 0.000 0.276 691 P C -2.754 174.862 177.300 0.528 0.000 1.244 691 P CA -1.426 61.853 63.100 0.298 0.000 0.801 691 P CB 0.409 32.142 31.700 0.056 0.000 1.006 692 P HA 0.074 nan 4.420 nan 0.000 0.268 692 P C 0.208 177.685 177.300 0.294 0.000 1.205 692 P CA 0.106 63.486 63.100 0.467 0.000 0.771 692 P CB 0.258 32.207 31.700 0.414 0.000 0.858 693 L N 3.123 124.510 121.223 0.274 0.000 2.559 693 L HA 0.072 4.415 4.340 0.005 0.000 0.274 693 L C 1.410 178.377 176.870 0.163 0.000 1.205 693 L CA 1.316 56.306 54.840 0.250 0.000 0.907 693 L CB -0.700 41.523 42.059 0.272 0.000 1.153 693 L HN 0.838 nan 8.230 nan 0.000 0.490 694 G N 2.395 111.274 108.800 0.132 0.000 2.159 694 G HA2 -0.290 3.673 3.960 0.005 0.000 0.256 694 G HA3 -0.290 3.673 3.960 0.005 0.000 0.256 694 G C 0.275 175.225 174.900 0.083 0.000 0.977 694 G CA 0.440 45.598 45.100 0.097 0.000 0.652 694 G HN 0.868 nan 8.290 nan 0.000 0.531 695 S N -1.136 114.621 115.700 0.096 0.000 2.730 695 S HA 0.716 5.189 4.470 0.005 0.000 0.284 695 S C 0.765 175.399 174.600 0.058 0.000 1.153 695 S CA -0.081 58.169 58.200 0.083 0.000 0.995 695 S CB 1.612 64.880 63.200 0.113 0.000 1.058 695 S HN 0.236 nan 8.310 nan 0.000 0.552 696 K N 0.195 120.623 120.400 0.047 0.000 2.397 696 K HA 0.245 4.568 4.320 0.005 0.000 0.202 696 K C 0.930 177.548 176.600 0.029 0.000 1.022 696 K CA -0.053 56.252 56.287 0.029 0.000 1.141 696 K CB -0.021 32.492 32.500 0.021 0.000 0.857 696 K HN 0.718 nan 8.250 nan 0.000 0.514 697 G N 1.410 110.238 108.800 0.047 0.000 2.554 697 G HA2 0.077 4.040 3.960 0.005 0.000 0.238 697 G HA3 0.077 4.040 3.960 0.005 0.000 0.238 697 G C 0.828 175.744 174.900 0.026 0.000 1.259 697 G CA -0.415 44.716 45.100 0.051 0.000 0.843 697 G HN 0.372 nan 8.290 nan 0.000 0.582 698 I N -0.456 120.137 120.570 0.037 0.000 3.728 698 I HA 0.362 4.535 4.170 0.005 0.000 0.307 698 I C 1.645 177.780 176.117 0.030 0.000 1.276 698 I CA 0.558 61.874 61.300 0.027 0.000 1.285 698 I CB 0.161 38.194 38.000 0.054 0.000 1.038 698 I HN 0.814 nan 8.210 nan 0.000 0.445 699 G N 1.341 110.171 108.800 0.050 0.000 3.329 699 G HA2 -0.181 3.782 3.960 0.005 0.000 0.220 699 G HA3 -0.181 3.782 3.960 0.005 0.000 0.220 699 G C 0.490 175.452 174.900 0.104 0.000 1.358 699 G CA -0.060 45.079 45.100 0.065 0.000 0.856 699 G HN 1.174 nan 8.290 nan 0.000 0.551 700 G N -1.084 107.806 108.800 0.151 0.000 2.559 700 G HA2 0.859 4.822 3.960 0.005 0.000 0.291 700 G HA3 0.859 4.822 3.960 0.005 0.000 0.291 700 G C -1.046 174.039 174.900 0.308 0.000 1.424 700 G CA 0.046 45.225 45.100 0.132 0.000 0.786 700 G HN 1.798 nan 8.290 nan 0.000 0.485 701 F N -2.409 117.618 119.950 0.128 0.000 2.693 701 F HA 0.809 5.339 4.527 0.005 0.000 0.309 701 F C -1.908 173.994 175.800 0.170 0.000 1.129 701 F CA -1.942 56.208 58.000 0.249 0.000 0.948 701 F CB 1.446 40.502 39.000 0.093 0.000 1.315 701 F HN 0.552 nan 8.300 nan 0.000 0.447 702 W N 2.185 123.683 121.300 0.331 0.000 2.702 702 W HA 0.355 5.018 4.660 0.005 0.000 0.331 702 W C 0.298 176.973 176.519 0.260 0.000 1.049 702 W CA -0.207 57.221 57.345 0.139 0.000 1.230 702 W CB 2.742 32.180 29.460 -0.037 0.000 1.408 702 W HN 0.895 nan 8.180 nan 0.000 0.492 703 T N -0.398 114.368 114.554 0.354 0.000 3.015 703 T HA 0.432 4.785 4.350 0.005 0.000 0.250 703 T C 0.554 175.381 174.700 0.212 0.000 1.057 703 T CA 0.773 63.044 62.100 0.285 0.000 1.066 703 T CB 1.003 70.033 68.868 0.269 0.000 0.959 703 T HN 0.557 nan 8.240 nan 0.000 0.488 704 G N 0.387 109.310 108.800 0.205 0.000 2.321 704 G HA2 0.387 4.350 3.960 0.005 0.000 0.296 704 G HA3 0.387 4.350 3.960 0.005 0.000 0.296 704 G C -1.876 173.125 174.900 0.167 0.000 1.287 704 G CA -1.199 44.002 45.100 0.169 0.000 0.846 704 G HN 0.266 nan 8.290 nan 0.000 0.508 705 K N 0.850 121.360 120.400 0.182 0.000 2.489 705 K HA 0.247 4.570 4.320 0.005 0.000 0.278 705 K C 0.234 176.954 176.600 0.200 0.000 1.000 705 K CA 0.641 57.086 56.287 0.263 0.000 1.012 705 K CB 0.309 32.938 32.500 0.214 0.000 0.903 705 K HN 0.610 nan 8.250 nan 0.000 0.485 706 K N 1.354 121.925 120.400 0.285 0.000 3.160 706 K HA -0.253 4.070 4.320 0.005 0.000 0.280 706 K C -0.677 175.937 176.600 0.023 0.000 1.154 706 K CA 0.976 57.387 56.287 0.206 0.000 0.822 706 K CB -0.871 31.719 32.500 0.150 0.000 1.239 706 K HN 0.576 nan 8.250 nan 0.000 0.489 707 R N 0.414 120.904 120.500 -0.018 0.000 2.625 707 R HA 0.296 4.639 4.340 0.005 0.000 0.286 707 R C -1.154 174.945 176.300 -0.334 0.000 1.406 707 R CA -0.755 55.248 56.100 -0.162 0.000 1.052 707 R CB 0.852 31.142 30.300 -0.016 0.000 1.203 707 R HN 0.246 nan 8.270 nan 0.000 0.502 708 Y N -0.941 118.894 120.300 -0.775 0.000 2.689 708 Y HA 0.833 5.386 4.550 0.005 0.000 0.333 708 Y C -1.843 173.365 175.900 -1.154 0.000 1.208 708 Y CA -1.413 55.913 58.100 -1.289 0.000 1.055 708 Y CB 1.341 38.319 38.460 -2.470 0.000 1.304 708 Y HN 0.388 nan 8.280 nan 0.000 0.455 709 A N 2.094 124.188 122.820 -1.210 0.000 2.455 709 A HA 0.838 5.161 4.320 0.005 0.000 0.300 709 A C -2.095 175.120 177.584 -0.615 0.000 1.040 709 A CA -0.770 50.707 52.037 -0.934 0.000 0.697 709 A CB 1.317 19.668 19.000 -1.083 0.000 1.265 709 A HN 0.793 nan 8.150 nan 0.000 0.407 710 L N 1.356 122.377 121.223 -0.337 0.000 2.401 710 L HA 0.464 4.807 4.340 0.005 0.000 0.266 710 L C -0.436 176.372 176.870 -0.104 0.000 0.991 710 L CA -0.940 53.824 54.840 -0.125 0.000 0.818 710 L CB 2.464 44.544 42.059 0.035 0.000 1.321 710 L HN 0.772 nan 8.230 nan 0.000 0.413 711 N N 1.589 120.262 118.700 -0.044 0.000 2.469 711 N HA 0.350 5.093 4.740 0.005 0.000 0.239 711 N C -1.172 174.253 175.510 -0.142 0.000 1.053 711 N CA -0.206 52.768 53.050 -0.127 0.000 0.937 711 N CB 0.900 39.342 38.487 -0.076 0.000 1.163 711 N HN 0.266 nan 8.380 nan 0.000 0.509 712 V N 4.119 123.911 119.914 -0.203 0.000 2.439 712 V HA 0.249 4.372 4.120 0.005 0.000 0.282 712 V C 0.262 176.279 176.094 -0.130 0.000 1.039 712 V CA -0.453 61.829 62.300 -0.031 0.000 0.913 712 V CB 1.178 33.061 31.823 0.100 0.000 0.983 712 V HN 0.768 nan 8.190 nan 0.000 0.460 713 W N 0.748 122.170 121.300 0.204 0.000 2.808 713 W HA 0.307 4.970 4.660 0.004 0.000 0.266 713 W C 0.683 177.266 176.519 0.106 0.000 1.247 713 W CA -0.061 57.380 57.345 0.159 0.000 1.440 713 W CB 0.682 30.120 29.460 -0.036 0.000 1.040 713 W HN 0.474 nan 8.180 nan 0.000 0.606 714 D N 0.326 120.865 120.400 0.231 0.000 2.970 714 D HA 0.258 4.901 4.640 0.005 0.000 0.230 714 D C -1.547 174.741 176.300 -0.021 0.000 1.276 714 D CA -0.412 53.574 54.000 -0.024 0.000 0.910 714 D CB 1.684 42.480 40.800 -0.006 0.000 1.590 714 D HN -0.198 nan 8.370 nan 0.000 0.551 715 M N 3.307 122.809 119.600 -0.164 0.000 2.106 715 M HA 0.262 4.745 4.480 0.005 0.000 0.288 715 M C -0.351 175.892 176.300 -0.094 0.000 0.941 715 M CA 0.036 55.305 55.300 -0.051 0.000 0.934 715 M CB 0.966 33.618 32.600 0.086 0.000 1.551 715 M HN 0.439 nan 8.290 nan 0.000 0.437 716 E N 3.332 123.493 120.200 -0.064 0.000 2.440 716 E HA -0.257 4.096 4.350 0.005 0.000 0.246 716 E C 0.739 177.293 176.600 -0.078 0.000 1.165 716 E CA 1.022 57.386 56.400 -0.061 0.000 0.726 716 E CB -1.698 27.978 29.700 -0.041 0.000 1.271 716 E HN 1.339 nan 8.360 nan 0.000 0.397 717 G N -0.913 107.831 108.800 -0.094 0.000 2.176 717 G HA2 -0.290 3.673 3.960 0.005 0.000 0.232 717 G HA3 -0.290 3.673 3.960 0.005 0.000 0.232 717 G C 0.299 175.119 174.900 -0.134 0.000 0.986 717 G CA 0.274 45.318 45.100 -0.093 0.000 0.643 717 G HN 0.249 nan 8.290 nan 0.000 0.522 718 T N 1.209 115.638 114.554 -0.209 0.000 2.723 718 T HA 0.526 4.879 4.350 0.005 0.000 0.297 718 T C 0.301 174.726 174.700 -0.457 0.000 0.925 718 T CA -0.175 61.737 62.100 -0.313 0.000 1.030 718 T CB 1.384 70.033 68.868 -0.366 0.000 0.905 718 T HN 0.420 nan 8.240 nan 0.000 0.502 719 R N 3.353 123.688 120.500 -0.275 0.000 2.196 719 R HA 0.298 4.640 4.340 0.005 0.000 0.340 719 R C -1.177 175.049 176.300 -0.123 0.000 1.043 719 R CA -0.558 55.432 56.100 -0.183 0.000 0.883 719 R CB -0.323 29.942 30.300 -0.058 0.000 1.078 719 R HN 0.481 nan 8.270 nan 0.000 0.462 720 Y N 2.546 122.887 120.300 0.068 0.000 2.346 720 Y HA 0.185 4.737 4.550 0.004 0.000 0.330 720 Y C 1.546 177.502 175.900 0.093 0.000 1.178 720 Y CA 0.232 58.363 58.100 0.052 0.000 1.331 720 Y CB 0.998 39.462 38.460 0.007 0.000 1.253 720 Y HN 0.772 nan 8.280 nan 0.000 0.529 721 A N 1.875 124.848 122.820 0.254 0.000 1.902 721 A HA -0.073 4.249 4.320 0.005 0.000 0.217 721 A C 0.574 178.298 177.584 0.232 0.000 1.181 721 A CA 1.314 53.487 52.037 0.227 0.000 0.623 721 A CB -0.163 18.949 19.000 0.186 0.000 0.818 721 A HN 0.668 nan 8.150 nan 0.000 0.443 722 E N -0.430 119.868 120.200 0.164 0.000 2.266 722 E HA 0.390 4.743 4.350 0.005 0.000 0.268 722 E C -2.904 173.639 176.600 -0.095 0.000 0.879 722 E CA -2.639 53.798 56.400 0.061 0.000 0.762 722 E CB 1.342 31.050 29.700 0.014 0.000 1.199 722 E HN 0.129 nan 8.360 nan 0.000 0.422 723 P HA 0.078 nan 4.420 nan 0.000 0.267 723 P C -0.552 176.431 177.300 -0.529 0.000 1.200 723 P CA -0.092 62.594 63.100 -0.690 0.000 0.772 723 P CB 0.745 31.680 31.700 -1.277 0.000 0.855 724 K N 2.317 122.368 120.400 -0.580 0.000 2.292 724 K HA 0.426 4.748 4.320 0.005 0.000 0.257 724 K C -0.484 175.891 176.600 -0.374 0.000 0.940 724 K CA -0.573 55.384 56.287 -0.551 0.000 0.811 724 K CB 0.766 32.710 32.500 -0.927 0.000 1.120 724 K HN 0.366 nan 8.250 nan 0.000 0.428 725 L N 4.008 125.052 121.223 -0.298 0.000 2.361 725 L HA 0.249 4.592 4.340 0.005 0.000 0.278 725 L C 0.248 176.987 176.870 -0.218 0.000 1.113 725 L CA -0.111 54.584 54.840 -0.242 0.000 0.849 725 L CB 0.598 42.525 42.059 -0.220 0.000 1.155 725 L HN 0.483 nan 8.230 nan 0.000 0.452 726 K N 5.733 126.018 120.400 -0.192 0.000 2.299 726 K HA 0.505 4.828 4.320 0.005 0.000 0.268 726 K C -0.958 175.460 176.600 -0.304 0.000 1.075 726 K CA -0.377 55.806 56.287 -0.174 0.000 0.936 726 K CB 0.486 32.955 32.500 -0.051 0.000 1.228 726 K HN 0.520 nan 8.250 nan 0.000 0.454 727 I N 5.430 125.794 120.570 -0.343 0.000 2.389 727 I HA 0.320 4.492 4.170 0.005 0.000 0.288 727 I C -0.621 175.194 176.117 -0.502 0.000 0.999 727 I CA -0.880 60.132 61.300 -0.480 0.000 1.129 727 I CB 1.610 39.379 38.000 -0.385 0.000 1.288 727 I HN 0.400 nan 8.210 nan 0.000 0.444 728 M N 4.245 123.374 119.600 -0.785 0.000 2.311 728 M HA 0.461 4.944 4.480 0.005 0.000 0.325 728 M C 0.963 176.946 176.300 -0.529 0.000 1.061 728 M CA -0.663 54.234 55.300 -0.671 0.000 0.957 728 M CB 0.841 32.887 32.600 -0.923 0.000 1.646 728 M HN 0.890 nan 8.290 nan 0.000 0.434 729 G N 2.328 110.959 108.800 -0.282 0.000 2.347 729 G HA2 -0.231 3.732 3.960 0.005 0.000 0.247 729 G HA3 -0.231 3.732 3.960 0.005 0.000 0.247 729 G C 0.224 175.056 174.900 -0.114 0.000 1.037 729 G CA 0.095 45.096 45.100 -0.165 0.000 0.622 729 G HN 0.587 nan 8.290 nan 0.000 0.521 730 L N 0.319 121.441 121.223 -0.169 0.000 2.474 730 L HA 0.337 4.680 4.340 0.005 0.000 0.259 730 L C 1.895 178.778 176.870 0.022 0.000 1.232 730 L CA -0.075 54.737 54.840 -0.047 0.000 0.821 730 L CB 0.187 42.102 42.059 -0.240 0.000 1.108 730 L HN 0.088 nan 8.230 nan 0.000 0.495 731 E N 0.050 120.345 120.200 0.159 0.000 2.204 731 E HA -0.168 4.185 4.350 0.005 0.000 0.195 731 E C 1.915 178.558 176.600 0.072 0.000 0.990 731 E CA 1.522 57.985 56.400 0.106 0.000 0.821 731 E CB -0.233 29.534 29.700 0.112 0.000 0.750 731 E HN 0.864 nan 8.360 nan 0.000 0.477 732 T N -1.144 113.450 114.554 0.067 0.000 2.897 732 T HA -0.175 4.178 4.350 0.005 0.000 0.271 732 T C 1.378 176.075 174.700 -0.005 0.000 1.084 732 T CA 0.906 63.019 62.100 0.022 0.000 1.123 732 T CB -0.046 68.805 68.868 -0.029 0.000 0.865 732 T HN 0.025 nan 8.240 nan 0.000 0.496 733 Q N 0.464 120.248 119.800 -0.027 0.000 2.282 733 Q HA 0.309 4.652 4.340 0.005 0.000 0.206 733 Q C 0.068 176.061 176.000 -0.012 0.000 0.878 733 Q CA 0.262 56.045 55.803 -0.033 0.000 0.944 733 Q CB 0.494 29.184 28.738 -0.079 0.000 1.100 733 Q HN 0.600 nan 8.270 nan 0.000 0.509 734 K N 1.077 121.476 120.400 -0.002 0.000 2.211 734 K HA 0.201 4.523 4.320 0.005 0.000 0.275 734 K C 0.995 177.595 176.600 0.000 0.000 1.024 734 K CA -0.034 56.251 56.287 -0.004 0.000 0.887 734 K CB 1.374 33.871 32.500 -0.004 0.000 1.084 734 K HN -0.027 nan 8.250 nan 0.000 0.463 735 S N 0.554 116.246 115.700 -0.013 0.000 2.442 735 S HA -0.168 4.305 4.470 0.005 0.000 0.236 735 S C 1.705 176.286 174.600 -0.032 0.000 1.007 735 S CA 1.395 59.581 58.200 -0.024 0.000 0.965 735 S CB -0.283 62.885 63.200 -0.053 0.000 0.773 735 S HN 0.620 nan 8.310 nan 0.000 0.504 736 S N 0.778 116.457 115.700 -0.035 0.000 2.453 736 S HA 0.013 4.486 4.470 0.005 0.000 0.231 736 S C 0.838 175.435 174.600 -0.006 0.000 1.005 736 S CA 0.433 58.609 58.200 -0.039 0.000 0.949 736 S CB -1.007 62.161 63.200 -0.053 0.000 0.774 736 S HN 0.462 nan 8.310 nan 0.000 0.510 737 T N 4.815 119.376 114.554 0.012 0.000 2.851 737 T HA 0.348 4.701 4.350 0.005 0.000 0.298 737 T C -2.633 172.099 174.700 0.054 0.000 0.977 737 T CA -1.096 61.026 62.100 0.036 0.000 1.126 737 T CB 0.864 69.759 68.868 0.045 0.000 0.916 737 T HN 0.131 nan 8.240 nan 0.000 0.529 738 P HA 0.058 nan 4.420 nan 0.000 0.265 738 P C 0.758 178.108 177.300 0.084 0.000 1.187 738 P CA -0.203 62.940 63.100 0.071 0.000 0.766 738 P CB 0.604 32.355 31.700 0.084 0.000 0.820 739 K N 4.446 124.894 120.400 0.080 0.000 2.044 739 K HA -0.210 4.113 4.320 0.005 0.000 0.210 739 K C 1.829 178.485 176.600 0.093 0.000 1.049 739 K CA 2.358 58.699 56.287 0.091 0.000 0.927 739 K CB -1.162 31.395 32.500 0.096 0.000 0.713 739 K HN 0.452 nan 8.250 nan 0.000 0.443 740 A N -0.371 122.511 122.820 0.104 0.000 2.015 740 A HA -0.039 4.284 4.320 0.005 0.000 0.219 740 A C 2.257 179.927 177.584 0.143 0.000 1.163 740 A CA 1.513 53.635 52.037 0.141 0.000 0.646 740 A CB -0.382 18.727 19.000 0.182 0.000 0.806 740 A HN 0.134 nan 8.150 nan 0.000 0.448 741 V N -0.312 119.685 119.914 0.139 0.000 2.488 741 V HA -0.253 3.870 4.120 0.005 0.000 0.246 741 V C 2.531 178.689 176.094 0.107 0.000 1.046 741 V CA 1.911 64.286 62.300 0.125 0.000 1.053 741 V CB -0.826 31.103 31.823 0.177 0.000 0.679 741 V HN 0.615 nan 8.190 nan 0.000 0.458 742 Q N 0.144 120.000 119.800 0.094 0.000 2.077 742 Q HA -0.309 4.034 4.340 0.005 0.000 0.206 742 Q C 2.364 178.400 176.000 0.060 0.000 0.989 742 Q CA 2.224 58.073 55.803 0.077 0.000 0.853 742 Q CB -0.286 28.492 28.738 0.067 0.000 0.907 742 Q HN 0.564 nan 8.270 nan 0.000 0.418 743 K N 0.206 120.639 120.400 0.055 0.000 2.026 743 K HA -0.163 4.160 4.320 0.005 0.000 0.208 743 K C 2.053 178.673 176.600 0.033 0.000 1.048 743 K CA 1.197 57.509 56.287 0.042 0.000 0.929 743 K CB -0.146 32.392 32.500 0.063 0.000 0.713 743 K HN 0.189 nan 8.250 nan 0.000 0.439 744 A N 1.231 124.044 122.820 -0.012 0.000 1.873 744 A HA -0.106 4.217 4.320 0.005 0.000 0.215 744 A C 2.124 179.798 177.584 0.149 0.000 1.186 744 A CA 1.241 53.231 52.037 -0.078 0.000 0.616 744 A CB -0.641 17.775 19.000 -0.972 0.000 0.823 744 A HN 0.318 nan 8.150 nan 0.000 0.442 745 L N -0.640 120.695 121.223 0.187 0.000 2.083 745 L HA -0.203 4.140 4.340 0.005 0.000 0.209 745 L C 2.631 179.571 176.870 0.118 0.000 1.083 745 L CA 1.878 56.839 54.840 0.201 0.000 0.752 745 L CB -0.375 41.817 42.059 0.223 0.000 0.899 745 L HN 0.468 nan 8.230 nan 0.000 0.433 746 K N 0.232 120.658 120.400 0.044 0.000 2.057 746 K HA -0.252 4.071 4.320 0.005 0.000 0.206 746 K C 2.083 178.641 176.600 -0.070 0.000 1.050 746 K CA 1.570 57.838 56.287 -0.031 0.000 0.935 746 K CB 0.096 32.569 32.500 -0.046 0.000 0.715 746 K HN 0.065 nan 8.250 nan 0.000 0.439 747 E N 0.513 120.653 120.200 -0.100 0.000 2.106 747 E HA -0.147 4.206 4.350 0.005 0.000 0.192 747 E C 1.768 178.228 176.600 -0.233 0.000 0.984 747 E CA 1.450 57.693 56.400 -0.262 0.000 0.806 747 E CB -0.399 28.984 29.700 -0.528 0.000 0.750 747 E HN 0.366 nan 8.360 nan 0.000 0.458 748 C N -0.000 119.271 119.300 -0.048 0.000 2.413 748 C HA -0.092 4.371 4.460 0.005 0.000 0.276 748 C C 2.614 177.634 174.990 0.049 0.000 1.236 748 C CA 0.842 59.909 59.018 0.080 0.000 1.735 748 C CB -1.032 26.820 27.740 0.186 0.000 2.031 748 C HN 0.479 nan 8.230 nan 0.000 0.474 749 I N 0.180 120.772 120.570 0.038 0.000 2.226 749 I HA -0.208 3.965 4.170 0.005 0.000 0.245 749 I C 2.870 178.982 176.117 -0.009 0.000 1.100 749 I CA 1.433 62.751 61.300 0.030 0.000 1.374 749 I CB -0.602 37.359 38.000 -0.064 0.000 1.057 749 I HN 0.326 nan 8.210 nan 0.000 0.413 750 R N 1.165 121.626 120.500 -0.065 0.000 2.083 750 R HA -0.192 4.151 4.340 0.005 0.000 0.237 750 R C 2.479 178.750 176.300 -0.048 0.000 1.137 750 R CA 1.682 57.733 56.100 -0.082 0.000 0.951 750 R CB -0.125 30.105 30.300 -0.117 0.000 0.851 750 R HN 0.291 nan 8.270 nan 0.000 0.434 751 R N -0.259 120.211 120.500 -0.049 0.000 2.075 751 R HA -0.080 4.263 4.340 0.005 0.000 0.232 751 R C 2.457 178.771 176.300 0.024 0.000 1.126 751 R CA 1.871 57.962 56.100 -0.014 0.000 0.963 751 R CB -0.257 30.034 30.300 -0.015 0.000 0.858 751 R HN 0.274 nan 8.270 nan 0.000 0.435 752 M N 0.419 120.042 119.600 0.038 0.000 2.065 752 M HA -0.215 4.268 4.480 0.005 0.000 0.259 752 M C 2.148 178.487 176.300 0.066 0.000 1.069 752 M CA 1.834 57.166 55.300 0.054 0.000 1.110 752 M CB -0.282 32.359 32.600 0.069 0.000 1.328 752 M HN 0.145 nan 8.290 nan 0.000 0.405 753 L N -1.211 120.053 121.223 0.068 0.000 2.240 753 L HA -0.139 4.204 4.340 0.005 0.000 0.211 753 L C 2.121 179.028 176.870 0.061 0.000 1.106 753 L CA 1.043 55.923 54.840 0.066 0.000 0.793 753 L CB -0.538 41.538 42.059 0.028 0.000 0.927 753 L HN 0.433 nan 8.230 nan 0.000 0.446 754 Q N -0.930 118.897 119.800 0.046 0.000 2.402 754 Q HA 0.029 4.372 4.340 0.005 0.000 0.231 754 Q C 1.292 177.338 176.000 0.076 0.000 0.888 754 Q CA 0.380 56.225 55.803 0.070 0.000 0.938 754 Q CB 0.799 29.555 28.738 0.031 0.000 1.086 754 Q HN 0.482 nan 8.270 nan 0.000 0.543 755 E N -0.735 119.497 120.200 0.053 0.000 2.399 755 E HA 0.272 4.624 4.350 0.005 0.000 0.206 755 E C 0.418 177.044 176.600 0.044 0.000 0.812 755 E CA 0.358 56.788 56.400 0.050 0.000 1.138 755 E CB 1.597 31.321 29.700 0.040 0.000 1.140 755 E HN 0.221 nan 8.360 nan 0.000 0.536 756 G N 1.361 110.185 108.800 0.040 0.000 2.373 756 G HA2 -0.223 3.740 3.960 0.005 0.000 0.634 756 G HA3 -0.223 3.740 3.960 0.005 0.000 0.634 756 G C 0.071 174.991 174.900 0.033 0.000 1.267 756 G CA -0.077 45.041 45.100 0.032 0.000 1.008 756 G HN 0.112 nan 8.290 nan 0.000 0.497 757 E N -0.186 120.026 120.200 0.021 0.000 2.077 757 E HA -0.125 4.228 4.350 0.005 0.000 0.193 757 E C 2.140 178.762 176.600 0.037 0.000 0.989 757 E CA 1.878 58.290 56.400 0.019 0.000 0.800 757 E CB -0.057 29.641 29.700 -0.003 0.000 0.746 757 E HN 0.618 nan 8.360 nan 0.000 0.452 758 E N -0.024 120.196 120.200 0.033 0.000 2.072 758 E HA -0.156 4.196 4.350 0.005 0.000 0.191 758 E C 2.119 178.763 176.600 0.074 0.000 0.985 758 E CA 1.128 57.554 56.400 0.043 0.000 0.801 758 E CB -0.121 29.594 29.700 0.025 0.000 0.750 758 E HN 0.080 nan 8.360 nan 0.000 0.452 759 S N 0.671 116.415 115.700 0.073 0.000 2.368 759 S HA -0.109 4.363 4.470 0.005 0.000 0.225 759 S C 1.895 176.582 174.600 0.144 0.000 1.030 759 S CA 0.617 58.874 58.200 0.095 0.000 0.999 759 S CB -0.183 63.057 63.200 0.068 0.000 0.844 759 S HN 0.267 nan 8.310 nan 0.000 0.459 760 L N 1.233 122.535 121.223 0.131 0.000 2.046 760 L HA -0.141 4.202 4.340 0.005 0.000 0.208 760 L C 2.329 179.357 176.870 0.263 0.000 1.077 760 L CA 2.052 57.002 54.840 0.183 0.000 0.747 760 L CB -1.204 40.928 42.059 0.122 0.000 0.896 760 L HN 0.498 nan 8.230 nan 0.000 0.432 761 Q N -0.350 119.568 119.800 0.198 0.000 2.124 761 Q HA -0.225 4.118 4.340 0.005 0.000 0.202 761 Q C 1.996 178.155 176.000 0.266 0.000 0.977 761 Q CA 1.747 57.683 55.803 0.222 0.000 0.850 761 Q CB -0.036 28.775 28.738 0.121 0.000 0.901 761 Q HN 0.601 nan 8.270 nan 0.000 0.429 762 E N -0.228 120.101 120.200 0.215 0.000 2.077 762 E HA -0.218 4.135 4.350 0.005 0.000 0.193 762 E C 1.648 178.394 176.600 0.242 0.000 0.989 762 E CA 1.073 57.590 56.400 0.196 0.000 0.800 762 E CB -0.104 29.691 29.700 0.159 0.000 0.746 762 E HN 0.386 nan 8.360 nan 0.000 0.452 763 Y N 0.002 120.410 120.300 0.180 0.000 2.220 763 Y HA -0.216 4.337 4.550 0.005 0.000 0.291 763 Y C 2.072 178.132 175.900 0.266 0.000 1.129 763 Y CA 1.252 59.466 58.100 0.190 0.000 1.161 763 Y CB -0.113 38.448 38.460 0.168 0.000 0.997 763 Y HN 0.025 nan 8.280 nan 0.000 0.522 764 F N 1.288 121.396 119.950 0.263 0.000 2.095 764 F HA -0.231 4.298 4.527 0.005 0.000 0.298 764 F C 2.441 178.350 175.800 0.183 0.000 1.104 764 F CA 2.268 60.434 58.000 0.277 0.000 1.232 764 F CB -0.514 38.683 39.000 0.328 0.000 0.987 764 F HN -0.093 nan 8.300 nan 0.000 0.475 765 K N -0.099 120.413 120.400 0.186 0.000 2.063 765 K HA -0.268 4.055 4.320 0.005 0.000 0.208 765 K C 2.115 178.657 176.600 -0.097 0.000 1.048 765 K CA 1.877 58.192 56.287 0.046 0.000 0.928 765 K CB -0.240 32.346 32.500 0.143 0.000 0.713 765 K HN 0.258 nan 8.250 nan 0.000 0.442 766 E N 0.064 120.205 120.200 -0.099 0.000 2.047 766 E HA -0.144 4.209 4.350 0.005 0.000 0.191 766 E C 1.660 178.123 176.600 -0.228 0.000 0.987 766 E CA 1.159 57.469 56.400 -0.151 0.000 0.799 766 E CB -0.335 29.281 29.700 -0.140 0.000 0.752 766 E HN 0.335 nan 8.360 nan 0.000 0.449 767 F N 1.378 121.033 119.950 -0.492 0.000 2.126 767 F HA -0.178 4.351 4.527 0.005 0.000 0.299 767 F C 2.269 177.839 175.800 -0.384 0.000 1.096 767 F CA 2.042 59.737 58.000 -0.508 0.000 1.255 767 F CB -0.067 38.516 39.000 -0.695 0.000 0.997 767 F HN 0.113 nan 8.300 nan 0.000 0.479 768 E N 0.183 120.127 120.200 -0.426 0.000 2.118 768 E HA -0.306 4.047 4.350 0.005 0.000 0.195 768 E C 2.138 178.668 176.600 -0.117 0.000 0.992 768 E CA 1.445 57.624 56.400 -0.369 0.000 0.804 768 E CB -0.109 29.285 29.700 -0.511 0.000 0.741 768 E HN 0.334 nan 8.360 nan 0.000 0.458 769 K N -0.006 120.293 120.400 -0.168 0.000 2.103 769 K HA -0.098 4.225 4.320 0.005 0.000 0.204 769 K C 1.615 178.102 176.600 -0.189 0.000 1.052 769 K CA 1.404 57.610 56.287 -0.135 0.000 0.945 769 K CB 0.325 32.753 32.500 -0.120 0.000 0.722 769 K HN 0.062 nan 8.250 nan 0.000 0.443 770 E N -0.665 119.387 120.200 -0.246 0.000 2.473 770 E HA -0.020 4.333 4.350 0.005 0.000 0.204 770 E C 1.561 177.923 176.600 -0.396 0.000 0.994 770 E CA 0.058 56.285 56.400 -0.288 0.000 0.945 770 E CB 0.060 29.627 29.700 -0.222 0.000 0.990 770 E HN 0.401 nan 8.360 nan 0.000 0.493 771 F N 1.963 121.518 119.950 -0.658 0.000 2.269 771 F HA -0.018 4.512 4.527 0.005 0.000 0.301 771 F C 1.803 177.374 175.800 -0.382 0.000 1.082 771 F CA 0.813 58.373 58.000 -0.734 0.000 1.360 771 F CB -0.442 37.862 39.000 -1.160 0.000 1.041 771 F HN -0.194 nan 8.300 nan 0.000 0.512 772 R N 0.547 120.233 120.500 -1.357 0.000 2.285 772 R HA -0.082 4.261 4.340 0.005 0.000 0.213 772 R C 1.826 177.733 176.300 -0.655 0.000 1.068 772 R CA 1.282 56.602 56.100 -1.299 0.000 1.004 772 R CB -0.496 28.923 30.300 -1.468 0.000 0.873 772 R HN 0.528 nan 8.270 nan 0.000 0.467 773 Q N 0.223 119.767 119.800 -0.426 0.000 2.389 773 Q HA 0.081 4.424 4.340 0.005 0.000 0.204 773 Q C 0.108 176.047 176.000 -0.103 0.000 0.944 773 Q CA 0.184 55.850 55.803 -0.229 0.000 0.908 773 Q CB 0.234 28.856 28.738 -0.194 0.000 1.002 773 Q HN 0.277 nan 8.270 nan 0.000 0.493 774 L N 2.098 123.276 121.223 -0.075 0.000 2.485 774 L HA -0.010 4.333 4.340 0.005 0.000 0.275 774 L C 0.735 177.657 176.870 0.086 0.000 1.207 774 L CA -0.289 54.565 54.840 0.023 0.000 0.855 774 L CB 0.127 42.226 42.059 0.067 0.000 1.114 774 L HN 0.262 nan 8.230 nan 0.000 0.485 775 N N 1.837 120.582 118.700 0.076 0.000 2.412 775 N HA -0.138 4.605 4.740 0.005 0.000 0.254 775 N C 0.958 176.533 175.510 0.109 0.000 1.232 775 N CA 0.101 53.214 53.050 0.105 0.000 0.880 775 N CB 0.669 39.183 38.487 0.045 0.000 1.076 775 N HN 0.608 nan 8.380 nan 0.000 0.458 776 Y N 3.611 123.928 120.300 0.029 0.000 2.207 776 Y HA -0.145 4.408 4.550 0.005 0.000 0.287 776 Y C 1.942 177.848 175.900 0.010 0.000 1.156 776 Y CA 0.918 59.030 58.100 0.020 0.000 1.182 776 Y CB -0.240 38.217 38.460 -0.006 0.000 0.979 776 Y HN 0.500 nan 8.280 nan 0.000 0.521 777 I N 1.281 121.388 120.570 -0.773 0.000 2.226 777 I HA -0.285 3.888 4.170 0.005 0.000 0.245 777 I C 2.717 178.575 176.117 -0.432 0.000 1.100 777 I CA 1.757 62.603 61.300 -0.757 0.000 1.374 777 I CB -0.548 37.027 38.000 -0.707 0.000 1.057 777 I HN 0.513 nan 8.210 nan 0.000 0.413 778 S N 1.279 116.858 115.700 -0.200 0.000 2.474 778 S HA -0.084 4.388 4.470 0.005 0.000 0.235 778 S C 1.654 176.255 174.600 0.003 0.000 0.997 778 S CA 0.814 58.978 58.200 -0.059 0.000 0.949 778 S CB -0.623 62.583 63.200 0.009 0.000 0.766 778 S HN 0.668 nan 8.310 nan 0.000 0.517 779 I N -1.874 118.699 120.570 0.005 0.000 4.082 779 I HA 0.582 4.755 4.170 0.005 0.000 0.337 779 I C 0.633 176.780 176.117 0.049 0.000 1.352 779 I CA -0.744 60.604 61.300 0.081 0.000 1.097 779 I CB -0.012 38.089 38.000 0.168 0.000 1.048 779 I HN 0.220 nan 8.210 nan 0.000 0.393 780 A N 1.449 124.242 122.820 -0.045 0.000 2.401 780 A HA 0.583 4.906 4.320 0.005 0.000 0.259 780 A C 0.508 178.094 177.584 0.004 0.000 1.103 780 A CA -0.038 51.974 52.037 -0.042 0.000 0.789 780 A CB 0.327 19.182 19.000 -0.242 0.000 1.035 780 A HN 0.384 nan 8.150 nan 0.000 0.491 781 S N -0.014 115.715 115.700 0.048 0.000 2.614 781 S HA 0.476 4.949 4.470 0.005 0.000 0.265 781 S C 0.009 174.631 174.600 0.036 0.000 1.303 781 S CA -0.413 57.817 58.200 0.049 0.000 1.000 781 S CB 0.984 64.219 63.200 0.059 0.000 0.935 781 S HN 0.617 nan 8.310 nan 0.000 0.551 782 V N 1.252 121.159 119.914 -0.011 0.000 2.735 782 V HA 0.785 4.908 4.120 0.005 0.000 0.310 782 V C -0.199 175.808 176.094 -0.145 0.000 1.061 782 V CA -0.523 61.717 62.300 -0.100 0.000 0.913 782 V CB 1.957 33.707 31.823 -0.122 0.000 1.005 782 V HN 0.803 nan 8.190 nan 0.000 0.428 783 S N 1.888 117.464 115.700 -0.205 0.000 2.537 783 S HA 0.579 5.052 4.470 0.005 0.000 0.270 783 S C -0.482 173.975 174.600 -0.239 0.000 1.142 783 S CA -0.419 57.617 58.200 -0.274 0.000 0.870 783 S CB 2.060 64.975 63.200 -0.476 0.000 1.112 783 S HN 0.735 nan 8.310 nan 0.000 0.466 784 S N 1.990 117.563 115.700 -0.211 0.000 2.579 784 S HA 0.581 5.054 4.470 0.005 0.000 0.275 784 S C -0.050 174.517 174.600 -0.055 0.000 1.345 784 S CA -0.127 57.998 58.200 -0.124 0.000 1.031 784 S CB 0.949 64.099 63.200 -0.084 0.000 0.892 784 S HN 0.993 nan 8.310 nan 0.000 0.529 785 A N 3.598 126.430 122.820 0.020 0.000 2.586 785 A HA 0.510 4.833 4.320 0.005 0.000 0.320 785 A C -0.412 177.202 177.584 0.050 0.000 1.281 785 A CA -0.918 51.187 52.037 0.113 0.000 0.775 785 A CB 0.235 19.273 19.000 0.063 0.000 1.122 785 A HN 0.711 nan 8.150 nan 0.000 0.470 786 N N 1.670 120.408 118.700 0.063 0.000 2.430 786 N HA 0.332 5.075 4.740 0.005 0.000 0.298 786 N C -0.314 175.146 175.510 -0.083 0.000 1.130 786 N CA -0.467 52.575 53.050 -0.014 0.000 0.894 786 N CB 1.073 39.556 38.487 -0.006 0.000 1.209 786 N HN 0.555 nan 8.380 nan 0.000 0.503 787 N N 0.629 119.231 118.700 -0.163 0.000 2.758 787 N HA -0.164 4.579 4.740 0.005 0.000 0.248 787 N C 0.899 176.398 175.510 -0.019 0.000 1.076 787 N CA 0.226 53.171 53.050 -0.176 0.000 0.696 787 N CB -1.113 37.183 38.487 -0.318 0.000 0.979 787 N HN 0.603 nan 8.380 nan 0.000 0.550 788 I N -0.006 120.558 120.570 -0.010 0.000 2.226 788 I HA -0.263 3.910 4.170 0.005 0.000 0.245 788 I C 2.411 178.536 176.117 0.014 0.000 1.100 788 I CA 1.753 63.062 61.300 0.014 0.000 1.374 788 I CB -0.205 37.794 38.000 -0.003 0.000 1.057 788 I HN 0.373 nan 8.210 nan 0.000 0.413 789 A N 0.691 123.501 122.820 -0.016 0.000 1.933 789 A HA -0.249 4.074 4.320 0.005 0.000 0.218 789 A C 2.439 179.985 177.584 -0.063 0.000 1.175 789 A CA 1.724 53.745 52.037 -0.027 0.000 0.628 789 A CB -0.539 18.446 19.000 -0.024 0.000 0.814 789 A HN 0.334 nan 8.150 nan 0.000 0.444 790 K N -1.371 118.947 120.400 -0.137 0.000 2.103 790 K HA -0.166 4.157 4.320 0.005 0.000 0.207 790 K C 1.176 177.559 176.600 -0.361 0.000 1.048 790 K CA 1.713 57.822 56.287 -0.297 0.000 0.930 790 K CB -0.240 31.965 32.500 -0.490 0.000 0.716 790 K HN 0.639 nan 8.250 nan 0.000 0.444 791 Y N 0.371 120.636 120.300 -0.059 0.000 2.457 791 Y HA 0.092 4.645 4.550 0.005 0.000 0.263 791 Y C 0.270 176.154 175.900 -0.028 0.000 1.164 791 Y CA -0.484 57.588 58.100 -0.047 0.000 1.274 791 Y CB 0.441 38.857 38.460 -0.074 0.000 1.097 791 Y HN -0.016 nan 8.280 nan 0.000 0.523 792 D N 1.141 121.583 120.400 0.070 0.000 2.316 792 D HA 0.189 4.831 4.640 0.005 0.000 0.245 792 D C -0.906 175.421 176.300 0.046 0.000 1.171 792 D CA 0.209 54.238 54.000 0.048 0.000 0.856 792 D CB 1.148 41.959 40.800 0.018 0.000 1.090 792 D HN -0.145 nan 8.370 nan 0.000 0.476 793 V N 3.660 123.622 119.914 0.081 0.000 2.289 793 V HA 0.398 4.520 4.120 0.005 0.000 0.272 793 V C 1.153 177.328 176.094 0.135 0.000 1.026 793 V CA -0.381 61.971 62.300 0.087 0.000 0.807 793 V CB 0.951 32.826 31.823 0.087 0.000 1.044 793 V HN 0.820 nan 8.190 nan 0.000 0.443 794 G N 3.243 112.103 108.800 0.100 0.000 2.283 794 G HA2 0.022 3.985 3.960 0.005 0.000 0.280 794 G HA3 0.022 3.985 3.960 0.005 0.000 0.280 794 G C 1.141 176.121 174.900 0.134 0.000 1.029 794 G CA 0.700 45.874 45.100 0.124 0.000 0.840 794 G HN 2.194 nan 8.290 nan 0.000 0.505 795 G N -2.837 105.974 108.800 0.019 0.000 2.175 795 G HA2 -0.122 3.841 3.960 0.005 0.000 0.244 795 G HA3 -0.122 3.841 3.960 0.005 0.000 0.244 795 G C 0.207 174.864 174.900 -0.404 0.000 0.982 795 G CA 0.523 45.511 45.100 -0.186 0.000 0.641 795 G HN 1.271 nan 8.290 nan 0.000 0.527 796 F N 0.462 120.418 119.950 0.010 0.000 2.579 796 F HA 0.625 5.155 4.527 0.005 0.000 0.324 796 F C -2.199 173.611 175.800 0.015 0.000 1.058 796 F CA -2.641 55.364 58.000 0.008 0.000 0.944 796 F CB 1.924 40.927 39.000 0.006 0.000 1.245 796 F HN -0.233 nan 8.300 nan 0.000 0.477 797 P HA 0.149 nan 4.420 nan 0.000 0.267 797 P C -0.029 177.353 177.300 0.137 0.000 1.209 797 P CA 0.079 63.254 63.100 0.124 0.000 0.763 797 P CB 0.401 32.146 31.700 0.075 0.000 0.816 798 G N 4.582 113.475 108.800 0.155 0.000 2.535 798 G HA2 0.407 4.370 3.960 0.005 0.000 0.282 798 G HA3 0.407 4.370 3.960 0.005 0.000 0.282 798 G C -2.479 172.515 174.900 0.156 0.000 1.350 798 G CA -1.417 43.769 45.100 0.144 0.000 1.039 798 G HN 0.289 nan 8.290 nan 0.000 0.509 799 P HA 0.178 nan 4.420 nan 0.000 0.267 799 P C 0.070 177.482 177.300 0.186 0.000 1.205 799 P CA 0.229 63.402 63.100 0.120 0.000 0.765 799 P CB 0.770 32.523 31.700 0.087 0.000 0.828 800 K N 0.024 120.491 120.400 0.112 0.000 3.281 800 K HA -0.194 4.129 4.320 0.005 0.000 0.295 800 K C -0.210 176.336 176.600 -0.091 0.000 1.233 800 K CA 0.055 56.388 56.287 0.076 0.000 0.866 800 K CB -1.550 31.038 32.500 0.148 0.000 1.265 800 K HN 0.596 nan 8.250 nan 0.000 0.482 801 C N 1.935 121.156 119.300 -0.133 0.000 2.638 801 C HA 0.194 4.657 4.460 0.005 0.000 0.410 801 C C -1.681 173.053 174.990 -0.426 0.000 1.404 801 C CA -1.398 57.342 59.018 -0.464 0.000 1.651 801 C CB -0.435 27.210 27.740 -0.158 0.000 2.495 801 C HN 0.238 nan 8.230 nan 0.000 0.606 802 P HA 0.080 nan 4.420 nan 0.000 0.269 802 P C 0.499 177.666 177.300 -0.220 0.000 1.215 802 P CA -0.064 62.827 63.100 -0.348 0.000 0.780 802 P CB 0.252 31.662 31.700 -0.483 0.000 0.898 803 F N 2.552 122.424 119.950 -0.130 0.000 2.095 803 F HA -0.275 4.255 4.527 0.005 0.000 0.298 803 F C 2.476 178.250 175.800 -0.044 0.000 1.104 803 F CA 1.939 59.909 58.000 -0.050 0.000 1.232 803 F CB -0.411 38.603 39.000 0.023 0.000 0.987 803 F HN 0.484 nan 8.300 nan 0.000 0.475 804 H N -0.585 118.516 119.070 0.052 0.000 2.423 804 H HA -0.108 4.451 4.556 0.005 0.000 0.297 804 H C 2.186 177.442 175.328 -0.120 0.000 1.075 804 H CA 1.639 57.658 56.048 -0.049 0.000 1.342 804 H CB -1.015 28.743 29.762 -0.006 0.000 1.395 804 H HN 0.252 nan 8.280 nan 0.000 0.530 805 I N 1.534 121.737 120.570 -0.613 0.000 2.315 805 I HA -0.152 4.020 4.170 0.005 0.000 0.248 805 I C 2.859 178.832 176.117 -0.241 0.000 1.117 805 I CA 0.771 61.831 61.300 -0.400 0.000 1.404 805 I CB -0.967 36.760 38.000 -0.456 0.000 1.071 805 I HN 0.228 nan 8.210 nan 0.000 0.419 806 R N 1.206 121.544 120.500 -0.270 0.000 2.091 806 R HA -0.160 4.183 4.340 0.005 0.000 0.238 806 R C 2.376 178.553 176.300 -0.204 0.000 1.136 806 R CA 1.798 57.769 56.100 -0.216 0.000 0.959 806 R CB -0.508 29.636 30.300 -0.259 0.000 0.856 806 R HN 0.377 nan 8.270 nan 0.000 0.437 807 G N 1.000 109.644 108.800 -0.260 0.000 2.440 807 G HA2 -0.240 3.722 3.960 0.005 0.000 0.218 807 G HA3 -0.240 3.722 3.960 0.005 0.000 0.218 807 G C 1.467 176.335 174.900 -0.054 0.000 1.154 807 G CA 0.972 45.968 45.100 -0.174 0.000 0.767 807 G HN 0.300 nan 8.290 nan 0.000 0.552 808 I N 0.329 120.867 120.570 -0.053 0.000 2.179 808 I HA -0.119 4.054 4.170 0.005 0.000 0.242 808 I C 2.702 178.852 176.117 0.055 0.000 1.088 808 I CA 0.643 61.955 61.300 0.019 0.000 1.357 808 I CB -0.195 37.794 38.000 -0.019 0.000 1.051 808 I HN 0.120 nan 8.210 nan 0.000 0.409 809 L N -0.076 121.133 121.223 -0.023 0.000 2.046 809 L HA -0.216 4.127 4.340 0.005 0.000 0.208 809 L C 2.629 179.455 176.870 -0.075 0.000 1.077 809 L CA 1.531 56.337 54.840 -0.056 0.000 0.747 809 L CB -1.025 40.984 42.059 -0.084 0.000 0.896 809 L HN 0.273 nan 8.230 nan 0.000 0.432 810 T N -1.173 113.351 114.554 -0.050 0.000 2.684 810 T HA -0.286 4.067 4.350 0.005 0.000 0.267 810 T C 1.699 176.420 174.700 0.034 0.000 1.036 810 T CA 1.754 63.839 62.100 -0.025 0.000 1.148 810 T CB -0.469 68.379 68.868 -0.033 0.000 0.863 810 T HN 0.319 nan 8.240 nan 0.000 0.436 811 Y N 2.841 123.105 120.300 -0.059 0.000 2.128 811 Y HA -0.232 4.321 4.550 0.005 0.000 0.284 811 Y C 2.227 178.125 175.900 -0.004 0.000 1.154 811 Y CA 1.498 59.586 58.100 -0.020 0.000 1.149 811 Y CB -0.574 37.897 38.460 0.019 0.000 0.976 811 Y HN 0.113 nan 8.280 nan 0.000 0.505 812 N N 0.334 119.043 118.700 0.014 0.000 2.149 812 N HA -0.168 4.575 4.740 0.005 0.000 0.188 812 N C 1.854 177.280 175.510 -0.140 0.000 1.019 812 N CA 1.709 54.712 53.050 -0.079 0.000 0.857 812 N CB -0.375 38.105 38.487 -0.013 0.000 0.997 812 N HN 0.452 nan 8.380 nan 0.000 0.426 813 R N 0.319 120.737 120.500 -0.137 0.000 2.092 813 R HA 0.097 4.440 4.340 0.005 0.000 0.231 813 R C 2.018 178.257 176.300 -0.102 0.000 1.119 813 R CA 1.127 57.140 56.100 -0.144 0.000 0.970 813 R CB -0.245 29.936 30.300 -0.198 0.000 0.864 813 R HN 0.184 nan 8.270 nan 0.000 0.440 814 A N 1.548 124.323 122.820 -0.076 0.000 2.014 814 A HA -0.067 4.256 4.320 0.005 0.000 0.218 814 A C 1.952 179.459 177.584 -0.127 0.000 1.163 814 A CA 0.951 52.971 52.037 -0.028 0.000 0.652 814 A CB -0.342 18.761 19.000 0.172 0.000 0.808 814 A HN 0.457 nan 8.150 nan 0.000 0.449 815 I N -3.926 116.494 120.570 -0.249 0.000 3.976 815 I HA 0.297 4.470 4.170 0.005 0.000 0.337 815 I C 0.509 176.540 176.117 -0.144 0.000 1.359 815 I CA -0.475 60.681 61.300 -0.240 0.000 1.098 815 I CB 0.003 37.754 38.000 -0.414 0.000 1.027 815 I HN -0.025 nan 8.210 nan 0.000 0.394 816 K N 2.769 123.099 120.400 -0.117 0.000 2.511 816 K HA 0.134 4.457 4.320 0.005 0.000 0.280 816 K C 1.015 177.584 176.600 -0.050 0.000 1.008 816 K CA 1.211 57.453 56.287 -0.076 0.000 1.050 816 K CB 0.086 32.544 32.500 -0.070 0.000 0.889 816 K HN 0.594 nan 8.250 nan 0.000 0.484 817 G N 3.044 111.825 108.800 -0.032 0.000 2.298 817 G HA2 -0.301 3.662 3.960 0.005 0.000 0.287 817 G HA3 -0.301 3.662 3.960 0.005 0.000 0.287 817 G C -0.511 174.380 174.900 -0.015 0.000 1.075 817 G CA 0.523 45.613 45.100 -0.017 0.000 0.960 817 G HN 0.812 nan 8.290 nan 0.000 0.502 818 N N -0.822 117.869 118.700 -0.014 0.000 2.594 818 N HA 0.462 5.205 4.740 0.005 0.000 0.280 818 N C 1.312 176.828 175.510 0.009 0.000 1.156 818 N CA -0.557 52.488 53.050 -0.009 0.000 0.831 818 N CB 0.589 39.059 38.487 -0.028 0.000 1.379 818 N HN 0.241 nan 8.380 nan 0.000 0.536 819 I N 0.360 120.943 120.570 0.022 0.000 2.394 819 I HA -0.075 4.098 4.170 0.005 0.000 0.251 819 I C 1.719 177.863 176.117 0.046 0.000 1.136 819 I CA 1.158 62.482 61.300 0.039 0.000 1.425 819 I CB -0.262 37.763 38.000 0.041 0.000 1.079 819 I HN 0.468 nan 8.210 nan 0.000 0.425 820 D N 2.112 122.533 120.400 0.035 0.000 2.323 820 D HA 0.068 4.711 4.640 0.005 0.000 0.209 820 D C 1.128 177.465 176.300 0.062 0.000 0.973 820 D CA 0.510 54.535 54.000 0.042 0.000 0.874 820 D CB -0.152 40.666 40.800 0.029 0.000 0.930 820 D HN 0.447 nan 8.370 nan 0.000 0.521 821 A N 1.942 124.796 122.820 0.056 0.000 2.488 821 A HA 0.351 4.674 4.320 0.005 0.000 0.249 821 A C -2.271 175.391 177.584 0.130 0.000 1.083 821 A CA -0.990 51.092 52.037 0.076 0.000 0.768 821 A CB -0.145 18.863 19.000 0.012 0.000 1.017 821 A HN -0.004 nan 8.150 nan 0.000 0.496 822 P HA 0.086 nan 4.420 nan 0.000 0.263 822 P C -0.525 176.928 177.300 0.255 0.000 1.195 822 P CA 0.280 63.501 63.100 0.202 0.000 0.762 822 P CB 0.447 32.277 31.700 0.217 0.000 0.799 823 Q N 1.723 121.620 119.800 0.161 0.000 2.235 823 Q HA 0.277 4.620 4.340 0.005 0.000 0.250 823 Q C -0.236 175.813 176.000 0.081 0.000 0.909 823 Q CA -0.790 55.103 55.803 0.152 0.000 0.910 823 Q CB 1.275 30.063 28.738 0.082 0.000 1.223 823 Q HN 0.193 nan 8.270 nan 0.000 0.432 824 V N 2.773 122.742 119.914 0.092 0.000 2.521 824 V HA 0.062 4.185 4.120 0.005 0.000 0.286 824 V C 0.183 176.257 176.094 -0.034 0.000 1.034 824 V CA -0.213 62.079 62.300 -0.012 0.000 1.045 824 V CB 0.972 32.784 31.823 -0.018 0.000 0.974 824 V HN 0.443 nan 8.190 nan 0.000 0.480 825 V N 4.682 124.547 119.914 -0.081 0.000 2.432 825 V HA 0.215 4.338 4.120 0.005 0.000 0.275 825 V C 0.383 176.434 176.094 -0.070 0.000 1.043 825 V CA -0.719 61.524 62.300 -0.095 0.000 0.925 825 V CB 1.376 33.108 31.823 -0.152 0.000 0.985 825 V HN 0.992 nan 8.190 nan 0.000 0.466 826 E N 4.180 124.352 120.200 -0.047 0.000 2.585 826 E HA 0.271 4.624 4.350 0.005 0.000 0.252 826 E C 1.208 177.789 176.600 -0.032 0.000 0.981 826 E CA 1.346 57.729 56.400 -0.028 0.000 0.943 826 E CB -0.002 29.692 29.700 -0.010 0.000 0.923 826 E HN 1.024 nan 8.360 nan 0.000 0.486 827 G N 3.081 111.868 108.800 -0.023 0.000 2.199 827 G HA2 -0.310 3.653 3.960 0.005 0.000 0.254 827 G HA3 -0.310 3.653 3.960 0.005 0.000 0.254 827 G C 0.358 175.224 174.900 -0.056 0.000 0.982 827 G CA 0.320 45.405 45.100 -0.024 0.000 0.632 827 G HN 0.585 nan 8.290 nan 0.000 0.529 828 E N 0.307 120.463 120.200 -0.073 0.000 2.561 828 E HA 0.725 5.078 4.350 0.005 0.000 0.254 828 E C 0.599 177.132 176.600 -0.113 0.000 1.213 828 E CA -0.457 55.886 56.400 -0.096 0.000 0.995 828 E CB 0.521 30.153 29.700 -0.114 0.000 1.233 828 E HN 0.296 nan 8.360 nan 0.000 0.556 829 K N -0.008 120.298 120.400 -0.156 0.000 2.123 829 K HA 0.514 4.837 4.320 0.005 0.000 0.259 829 K C -1.034 175.371 176.600 -0.324 0.000 0.960 829 K CA -0.884 55.270 56.287 -0.222 0.000 0.872 829 K CB 1.588 33.941 32.500 -0.245 0.000 1.079 829 K HN 0.328 nan 8.250 nan 0.000 0.440 830 V N -0.869 118.837 119.914 -0.347 0.000 2.823 830 V HA 0.453 4.576 4.120 0.005 0.000 0.312 830 V C -1.036 174.727 176.094 -0.552 0.000 1.072 830 V CA -1.141 60.886 62.300 -0.455 0.000 0.937 830 V CB 0.876 32.526 31.823 -0.289 0.000 1.013 830 V HN 0.517 nan 8.190 nan 0.000 0.430 831 Y N 1.763 121.588 120.300 -0.792 0.000 2.336 831 Y HA 0.669 5.222 4.550 0.005 0.000 0.331 831 Y C 0.440 175.919 175.900 -0.703 0.000 1.211 831 Y CA -0.562 56.982 58.100 -0.928 0.000 1.346 831 Y CB 1.456 38.885 38.460 -1.719 0.000 1.271 831 Y HN 0.570 nan 8.280 nan 0.000 0.538 832 V N 4.914 124.732 119.914 -0.159 0.000 2.638 832 V HA 0.498 4.621 4.120 0.005 0.000 0.306 832 V C -0.616 175.567 176.094 0.148 0.000 1.052 832 V CA -1.036 61.281 62.300 0.028 0.000 0.885 832 V CB 2.003 33.891 31.823 0.107 0.000 0.999 832 V HN 0.540 nan 8.190 nan 0.000 0.424 833 L N 6.188 127.548 121.223 0.228 0.000 2.408 833 L HA 0.608 4.951 4.340 0.005 0.000 0.268 833 L C -2.550 174.429 176.870 0.183 0.000 0.986 833 L CA -1.753 53.219 54.840 0.221 0.000 0.820 833 L CB 3.517 45.735 42.059 0.264 0.000 1.303 833 L HN 0.424 nan 8.230 nan 0.000 0.411 834 P HA 0.250 nan 4.420 nan 0.000 0.277 834 P C -1.307 176.081 177.300 0.147 0.000 1.240 834 P CA -0.463 62.770 63.100 0.222 0.000 0.798 834 P CB 1.484 33.331 31.700 0.244 0.000 0.979 835 L N 2.785 124.098 121.223 0.150 0.000 2.346 835 L HA 0.435 4.777 4.340 0.005 0.000 0.276 835 L C 1.023 178.021 176.870 0.213 0.000 1.006 835 L CA -0.801 54.145 54.840 0.176 0.000 0.817 835 L CB 1.099 43.241 42.059 0.140 0.000 1.272 835 L HN 0.339 nan 8.230 nan 0.000 0.421 836 R N 1.093 121.777 120.500 0.307 0.000 2.694 836 R HA 0.106 4.449 4.340 0.005 0.000 0.268 836 R C 0.047 176.523 176.300 0.293 0.000 1.061 836 R CA -0.438 55.856 56.100 0.323 0.000 1.133 836 R CB 0.520 31.060 30.300 0.400 0.000 1.020 836 R HN 0.571 nan 8.270 nan 0.000 0.475 837 E N 0.372 120.706 120.200 0.224 0.000 2.452 837 E HA -0.047 4.306 4.350 0.005 0.000 0.261 837 E C 0.512 177.207 176.600 0.158 0.000 0.987 837 E CA 1.027 57.519 56.400 0.152 0.000 0.926 837 E CB 0.273 30.052 29.700 0.131 0.000 0.934 837 E HN 0.782 nan 8.360 nan 0.000 0.452 838 G N 3.428 112.233 108.800 0.008 0.000 2.132 838 G HA2 -0.317 3.646 3.960 0.005 0.000 0.234 838 G HA3 -0.317 3.646 3.960 0.005 0.000 0.234 838 G C -0.129 174.443 174.900 -0.547 0.000 0.989 838 G CA 0.309 45.352 45.100 -0.095 0.000 0.676 838 G HN 0.806 nan 8.290 nan 0.000 0.522 839 N N 0.190 118.440 118.700 -0.751 0.000 2.503 839 N HA 0.561 5.304 4.740 0.005 0.000 0.267 839 N C -0.626 174.406 175.510 -0.795 0.000 1.214 839 N CA -1.094 51.118 53.050 -1.397 0.000 0.959 839 N CB 1.040 39.091 38.487 -0.727 0.000 1.142 839 N HN 0.054 nan 8.380 nan 0.000 0.455 840 P HA -0.060 nan 4.420 nan 0.000 0.230 840 P C 0.183 177.178 177.300 -0.509 0.000 1.158 840 P CA 0.888 63.634 63.100 -0.590 0.000 0.769 840 P CB -0.060 31.267 31.700 -0.622 0.000 0.807 841 F N 0.249 120.055 119.950 -0.240 0.000 2.661 841 F HA 0.259 4.789 4.527 0.005 0.000 0.298 841 F C 1.929 177.671 175.800 -0.096 0.000 1.137 841 F CA 0.977 58.896 58.000 -0.135 0.000 1.454 841 F CB -1.021 37.920 39.000 -0.099 0.000 1.103 841 F HN 0.034 nan 8.300 nan 0.000 0.577 842 G N 0.441 109.255 108.800 0.022 0.000 2.160 842 G HA2 -0.246 3.717 3.960 0.005 0.000 0.251 842 G HA3 -0.246 3.717 3.960 0.005 0.000 0.251 842 G C -0.342 174.602 174.900 0.073 0.000 1.008 842 G CA 0.434 45.555 45.100 0.034 0.000 0.724 842 G HN 0.379 nan 8.290 nan 0.000 0.514 843 D N -1.678 118.761 120.400 0.065 0.000 2.692 843 D HA 0.281 4.924 4.640 0.005 0.000 0.290 843 D C 1.200 177.522 176.300 0.037 0.000 1.281 843 D CA -0.129 53.901 54.000 0.049 0.000 0.804 843 D CB 0.437 41.258 40.800 0.035 0.000 1.331 843 D HN 0.148 nan 8.370 nan 0.000 0.432 844 K N -0.870 119.545 120.400 0.025 0.000 2.444 844 K HA 0.266 4.588 4.320 0.005 0.000 0.193 844 K C 0.479 177.096 176.600 0.029 0.000 1.024 844 K CA 0.076 56.401 56.287 0.064 0.000 1.077 844 K CB -0.438 32.138 32.500 0.127 0.000 0.833 844 K HN 0.428 nan 8.250 nan 0.000 0.517 845 C N -1.432 117.810 119.300 -0.097 0.000 3.307 845 C HA 0.732 5.194 4.460 0.005 0.000 0.333 845 C C -1.193 173.703 174.990 -0.157 0.000 1.291 845 C CA -1.410 57.514 59.018 -0.156 0.000 1.273 845 C CB 0.671 28.110 27.740 -0.500 0.000 1.580 845 C HN 0.391 nan 8.230 nan 0.000 0.481 846 I N 1.339 121.852 120.570 -0.095 0.000 2.769 846 I HA 0.794 4.967 4.170 0.005 0.000 0.298 846 I C -0.379 175.794 176.117 0.094 0.000 1.128 846 I CA -0.419 60.848 61.300 -0.056 0.000 1.031 846 I CB 2.109 39.982 38.000 -0.212 0.000 1.235 846 I HN 1.328 nan 8.210 nan 0.000 0.423 847 A N 5.522 128.406 122.820 0.107 0.000 2.435 847 A HA 0.837 5.160 4.320 0.005 0.000 0.304 847 A C -1.883 175.708 177.584 0.011 0.000 1.064 847 A CA -0.457 51.625 52.037 0.075 0.000 0.727 847 A CB 1.096 20.064 19.000 -0.053 0.000 1.284 847 A HN 0.869 nan 8.150 nan 0.000 0.415 848 W N 0.586 121.695 121.300 -0.320 0.000 3.047 848 W HA 0.737 5.400 4.660 0.005 0.000 0.341 848 W C -3.357 172.969 176.519 -0.322 0.000 1.225 848 W CA -2.715 54.281 57.345 -0.582 0.000 1.150 848 W CB 0.357 29.514 29.460 -0.506 0.000 1.470 848 W HN 0.417 nan 8.180 nan 0.000 0.578 849 P HA 0.030 nan 4.420 nan 0.000 0.262 849 P C 0.246 177.258 177.300 -0.480 0.000 1.182 849 P CA 0.438 63.368 63.100 -0.284 0.000 0.761 849 P CB 0.799 32.441 31.700 -0.097 0.000 0.795 850 S N 2.545 117.826 115.700 -0.699 0.000 2.584 850 S HA 0.376 4.849 4.470 0.005 0.000 0.270 850 S C 1.403 175.605 174.600 -0.665 0.000 1.346 850 S CA 0.284 57.771 58.200 -1.189 0.000 1.018 850 S CB -0.184 62.338 63.200 -1.130 0.000 0.899 850 S HN 0.936 nan 8.310 nan 0.000 0.542 851 G N 0.602 109.051 108.800 -0.584 0.000 2.189 851 G HA2 -0.228 3.735 3.960 0.005 0.000 0.267 851 G HA3 -0.228 3.735 3.960 0.005 0.000 0.267 851 G C 0.261 175.242 174.900 0.134 0.000 0.975 851 G CA 0.731 45.777 45.100 -0.091 0.000 0.644 851 G HN 1.869 nan 8.290 nan 0.000 0.537 852 T N -2.248 112.437 114.554 0.218 0.000 2.907 852 T HA 0.674 5.027 4.350 0.005 0.000 0.292 852 T C -0.379 174.622 174.700 0.502 0.000 1.043 852 T CA -0.759 61.519 62.100 0.295 0.000 1.003 852 T CB 2.619 71.632 68.868 0.242 0.000 1.084 852 T HN 0.130 nan 8.240 nan 0.000 0.483 853 E N 1.321 121.723 120.200 0.336 0.000 2.373 853 E HA 0.196 4.549 4.350 0.005 0.000 0.267 853 E C 0.031 176.767 176.600 0.226 0.000 1.032 853 E CA -0.273 56.318 56.400 0.318 0.000 0.889 853 E CB 1.417 31.236 29.700 0.198 0.000 0.984 853 E HN 0.646 nan 8.360 nan 0.000 0.425 854 I N 1.845 122.383 120.570 -0.053 0.000 2.692 854 I HA -0.084 4.089 4.170 0.005 0.000 0.284 854 I C 0.946 177.009 176.117 -0.091 0.000 1.159 854 I CA 0.380 61.439 61.300 -0.402 0.000 1.423 854 I CB 0.839 38.204 38.000 -1.059 0.000 1.380 854 I HN 0.378 nan 8.210 nan 0.000 0.580 855 T N 4.634 119.206 114.554 0.030 0.000 2.946 855 T HA -0.088 4.264 4.350 0.005 0.000 0.312 855 T C 0.928 175.632 174.700 0.006 0.000 1.066 855 T CA 0.006 62.141 62.100 0.059 0.000 1.138 855 T CB 0.216 69.149 68.868 0.107 0.000 1.014 855 T HN 0.665 nan 8.240 nan 0.000 0.544 856 D N 3.458 123.863 120.400 0.009 0.000 2.378 856 D HA -0.025 4.618 4.640 0.005 0.000 0.222 856 D C 1.960 178.258 176.300 -0.004 0.000 0.980 856 D CA 0.524 54.519 54.000 -0.007 0.000 0.907 856 D CB 0.023 40.823 40.800 0.001 0.000 0.899 856 D HN 0.568 nan 8.370 nan 0.000 0.527 857 L N 0.233 121.459 121.223 0.005 0.000 2.131 857 L HA -0.089 4.254 4.340 0.005 0.000 0.210 857 L C 2.069 178.948 176.870 0.015 0.000 1.092 857 L CA 1.011 55.852 54.840 0.002 0.000 0.759 857 L CB -0.211 41.843 42.059 -0.008 0.000 0.903 857 L HN 0.151 nan 8.230 nan 0.000 0.435 858 I N -6.310 114.282 120.570 0.036 0.000 4.541 858 I HA 0.095 4.268 4.170 0.005 0.000 0.337 858 I C 1.900 178.061 176.117 0.073 0.000 1.338 858 I CA -0.156 61.215 61.300 0.118 0.000 1.244 858 I CB 0.045 38.199 38.000 0.256 0.000 1.417 858 I HN -0.073 nan 8.210 nan 0.000 0.501 859 K N 2.880 123.252 120.400 -0.047 0.000 2.020 859 K HA -0.258 4.065 4.320 0.005 0.000 0.212 859 K C 1.812 178.326 176.600 -0.143 0.000 1.050 859 K CA 2.853 59.036 56.287 -0.175 0.000 0.929 859 K CB -0.188 32.196 32.500 -0.193 0.000 0.714 859 K HN 0.623 nan 8.250 nan 0.000 0.443 860 D N 0.300 120.662 120.400 -0.063 0.000 2.178 860 D HA -0.209 4.434 4.640 0.005 0.000 0.201 860 D C 1.241 177.582 176.300 0.068 0.000 0.980 860 D CA 1.282 55.264 54.000 -0.029 0.000 0.842 860 D CB -0.505 40.279 40.800 -0.027 0.000 0.948 860 D HN 0.250 nan 8.370 nan 0.000 0.472 861 D N 0.477 120.965 120.400 0.147 0.000 2.144 861 D HA -0.074 4.569 4.640 0.005 0.000 0.200 861 D C 2.391 179.004 176.300 0.521 0.000 0.978 861 D CA 0.532 54.736 54.000 0.340 0.000 0.833 861 D CB -0.056 40.888 40.800 0.240 0.000 0.961 861 D HN 0.152 nan 8.370 nan 0.000 0.470 862 V N 1.345 121.453 119.914 0.323 0.000 2.295 862 V HA -0.226 3.897 4.120 0.005 0.000 0.246 862 V C 2.696 178.821 176.094 0.051 0.000 1.049 862 V CA 1.191 63.555 62.300 0.107 0.000 1.024 862 V CB -0.517 31.180 31.823 -0.209 0.000 0.648 862 V HN 0.198 nan 8.190 nan 0.000 0.447 863 L N -0.591 120.596 121.223 -0.059 0.000 2.079 863 L HA -0.236 4.107 4.340 0.005 0.000 0.210 863 L C 2.629 179.519 176.870 0.035 0.000 1.081 863 L CA 2.019 56.815 54.840 -0.073 0.000 0.752 863 L CB -0.870 41.110 42.059 -0.131 0.000 0.896 863 L HN 0.495 nan 8.230 nan 0.000 0.433 864 H N -1.094 117.971 119.070 -0.010 0.000 2.428 864 H HA -0.167 4.392 4.556 0.005 0.000 0.296 864 H C 1.391 176.575 175.328 -0.240 0.000 1.062 864 H CA 1.575 57.542 56.048 -0.134 0.000 1.350 864 H CB 0.145 29.799 29.762 -0.179 0.000 1.403 864 H HN 0.371 nan 8.280 nan 0.000 0.533 865 W N 0.565 121.926 121.300 0.102 0.000 3.220 865 W HA 0.260 4.923 4.660 0.005 0.000 0.328 865 W C 0.457 176.989 176.519 0.022 0.000 1.205 865 W CA -0.567 56.828 57.345 0.082 0.000 1.773 865 W CB 0.233 29.825 29.460 0.221 0.000 1.086 865 W HN -0.084 nan 8.180 nan 0.000 0.622 866 M N 1.762 121.417 119.600 0.092 0.000 2.290 866 M HA -0.097 4.386 4.480 0.005 0.000 0.356 866 M C 0.274 176.515 176.300 -0.099 0.000 1.448 866 M CA 0.933 56.179 55.300 -0.089 0.000 0.993 866 M CB 0.201 32.563 32.600 -0.396 0.000 1.934 866 M HN -0.181 nan 8.290 nan 0.000 0.461 867 D N 3.495 123.889 120.400 -0.009 0.000 2.494 867 D HA 0.060 4.703 4.640 0.005 0.000 0.217 867 D C 0.323 176.668 176.300 0.076 0.000 1.153 867 D CA 0.075 54.120 54.000 0.076 0.000 0.954 867 D CB 0.189 41.071 40.800 0.137 0.000 1.034 867 D HN 0.447 nan 8.370 nan 0.000 0.518 868 Y N 1.042 121.418 120.300 0.125 0.000 2.207 868 Y HA -0.208 4.345 4.550 0.005 0.000 0.287 868 Y C 2.529 178.629 175.900 0.332 0.000 1.156 868 Y CA 1.189 59.419 58.100 0.217 0.000 1.182 868 Y CB -0.247 38.227 38.460 0.023 0.000 0.979 868 Y HN 0.288 nan 8.280 nan 0.000 0.521 869 T N -0.791 113.985 114.554 0.370 0.000 2.708 869 T HA -0.161 4.192 4.350 0.005 0.000 0.266 869 T C 2.143 176.949 174.700 0.178 0.000 1.037 869 T CA 1.559 63.819 62.100 0.266 0.000 1.146 869 T CB -0.729 68.250 68.868 0.186 0.000 0.865 869 T HN 0.097 nan 8.240 nan 0.000 0.435 870 V N 1.438 121.445 119.914 0.155 0.000 2.343 870 V HA -0.106 4.017 4.120 0.005 0.000 0.247 870 V C 2.517 178.668 176.094 0.096 0.000 1.051 870 V CA 1.330 63.696 62.300 0.109 0.000 1.036 870 V CB -0.675 31.215 31.823 0.112 0.000 0.654 870 V HN 0.418 nan 8.190 nan 0.000 0.451 871 L N -0.926 120.375 121.223 0.131 0.000 1.997 871 L HA -0.267 4.076 4.340 0.005 0.000 0.216 871 L C 2.496 179.419 176.870 0.089 0.000 1.074 871 L CA 1.891 56.807 54.840 0.126 0.000 0.763 871 L CB -0.545 41.623 42.059 0.181 0.000 0.890 871 L HN 0.350 nan 8.230 nan 0.000 0.434 872 L N -0.436 120.812 121.223 0.041 0.000 2.017 872 L HA -0.219 4.124 4.340 0.005 0.000 0.208 872 L C 2.611 179.493 176.870 0.020 0.000 1.073 872 L CA 1.783 56.540 54.840 -0.137 0.000 0.745 872 L CB -0.563 41.181 42.059 -0.524 0.000 0.894 872 L HN 0.199 nan 8.230 nan 0.000 0.432 873 E N -0.106 120.114 120.200 0.033 0.000 2.051 873 E HA -0.239 4.114 4.350 0.005 0.000 0.192 873 E C 2.251 178.851 176.600 -0.000 0.000 0.991 873 E CA 1.411 57.830 56.400 0.033 0.000 0.799 873 E CB -0.116 29.608 29.700 0.039 0.000 0.748 873 E HN 0.544 nan 8.360 nan 0.000 0.449 874 K N -0.134 120.266 120.400 -0.000 0.000 2.062 874 K HA -0.057 4.266 4.320 0.005 0.000 0.205 874 K C 2.275 178.855 176.600 -0.032 0.000 1.051 874 K CA 1.688 57.954 56.287 -0.035 0.000 0.941 874 K CB -0.016 32.452 32.500 -0.054 0.000 0.719 874 K HN 0.179 nan 8.250 nan 0.000 0.440 875 T N -2.291 112.274 114.554 0.019 0.000 3.044 875 T HA 0.049 4.402 4.350 0.005 0.000 0.255 875 T C 1.455 176.201 174.700 0.077 0.000 1.073 875 T CA 0.140 62.265 62.100 0.042 0.000 1.125 875 T CB -0.005 68.912 68.868 0.083 0.000 0.908 875 T HN 0.092 nan 8.240 nan 0.000 0.480 876 F N 0.806 120.703 119.950 -0.087 0.000 2.539 876 F HA 0.486 5.016 4.527 0.005 0.000 0.277 876 F C 1.743 177.440 175.800 -0.171 0.000 0.925 876 F CA -0.424 57.510 58.000 -0.111 0.000 1.193 876 F CB 0.041 39.016 39.000 -0.042 0.000 1.128 876 F HN -0.059 nan 8.300 nan 0.000 0.740 877 I N 0.709 121.215 120.570 -0.108 0.000 2.179 877 I HA -0.270 3.903 4.170 0.005 0.000 0.242 877 I C 2.391 178.284 176.117 -0.374 0.000 1.088 877 I CA 1.469 62.614 61.300 -0.257 0.000 1.357 877 I CB -0.513 37.490 38.000 0.004 0.000 1.051 877 I HN 0.134 nan 8.210 nan 0.000 0.409 878 K N 0.744 120.998 120.400 -0.243 0.000 2.009 878 K HA -0.169 4.154 4.320 0.005 0.000 0.210 878 K C -0.455 175.924 176.600 -0.369 0.000 1.049 878 K CA 1.791 57.935 56.287 -0.238 0.000 0.929 878 K CB -0.830 31.581 32.500 -0.149 0.000 0.714 878 K HN 0.172 nan 8.250 nan 0.000 0.440 879 P HA -0.160 nan 4.420 nan 0.000 0.216 879 P C 1.234 177.760 177.300 -1.289 0.000 1.153 879 P CA 0.857 63.523 63.100 -0.724 0.000 0.848 879 P CB 0.047 31.395 31.700 -0.587 0.000 0.787 880 L N 0.472 121.009 121.223 -1.142 0.000 2.083 880 L HA -0.181 4.162 4.340 0.005 0.000 0.209 880 L C 2.280 178.693 176.870 -0.762 0.000 1.083 880 L CA 1.998 56.191 54.840 -1.078 0.000 0.752 880 L CB -1.329 40.095 42.059 -1.058 0.000 0.899 880 L HN -0.117 nan 8.230 nan 0.000 0.433 881 E N -0.512 119.303 120.200 -0.641 0.000 2.118 881 E HA -0.136 4.217 4.350 0.005 0.000 0.195 881 E C 2.126 178.590 176.600 -0.227 0.000 0.992 881 E CA 1.558 57.771 56.400 -0.313 0.000 0.804 881 E CB -0.843 28.746 29.700 -0.186 0.000 0.741 881 E HN 0.465 nan 8.360 nan 0.000 0.458 882 G N -0.479 108.138 108.800 -0.306 0.000 2.418 882 G HA2 -0.222 3.741 3.960 0.005 0.000 0.217 882 G HA3 -0.222 3.741 3.960 0.005 0.000 0.217 882 G C 1.199 176.076 174.900 -0.038 0.000 1.158 882 G CA 0.931 45.936 45.100 -0.159 0.000 0.771 882 G HN 0.266 nan 8.290 nan 0.000 0.545 883 F N 2.024 121.847 119.950 -0.212 0.000 2.102 883 F HA -0.067 4.463 4.527 0.005 0.000 0.298 883 F C 3.170 178.634 175.800 -0.560 0.000 1.105 883 F CA 1.403 59.153 58.000 -0.417 0.000 1.239 883 F CB -1.492 37.267 39.000 -0.401 0.000 0.991 883 F HN 0.268 nan 8.300 nan 0.000 0.474 884 T N -3.240 111.212 114.554 -0.170 0.000 2.857 884 T HA -0.144 4.209 4.350 0.005 0.000 0.266 884 T C 2.212 176.840 174.700 -0.121 0.000 1.048 884 T CA 1.302 63.309 62.100 -0.155 0.000 1.139 884 T CB -0.867 67.984 68.868 -0.028 0.000 0.874 884 T HN 0.225 nan 8.240 nan 0.000 0.455 885 S N 1.557 117.207 115.700 -0.083 0.000 2.368 885 S HA 0.036 4.509 4.470 0.005 0.000 0.225 885 S C 2.442 177.014 174.600 -0.047 0.000 1.030 885 S CA 1.242 59.410 58.200 -0.054 0.000 0.999 885 S CB -0.921 62.258 63.200 -0.035 0.000 0.844 885 S HN 0.727 nan 8.310 nan 0.000 0.459 886 A N 1.187 123.979 122.820 -0.046 0.000 1.898 886 A HA 0.297 4.620 4.320 0.005 0.000 0.216 886 A C 2.371 179.940 177.584 -0.025 0.000 1.181 886 A CA 1.662 53.706 52.037 0.011 0.000 0.620 886 A CB -1.244 17.817 19.000 0.103 0.000 0.819 886 A HN 0.821 nan 8.150 nan 0.000 0.442 887 A N -1.271 121.454 122.820 -0.157 0.000 2.206 887 A HA 0.201 4.524 4.320 0.005 0.000 0.211 887 A C 0.964 178.493 177.584 -0.093 0.000 1.158 887 A CA 0.906 52.858 52.037 -0.141 0.000 0.761 887 A CB -0.470 18.337 19.000 -0.322 0.000 0.801 887 A HN 0.511 nan 8.150 nan 0.000 0.473 888 K N -1.611 118.739 120.400 -0.084 0.000 3.125 888 K HA -0.181 4.141 4.320 0.005 0.000 0.268 888 K C -0.617 175.942 176.600 -0.068 0.000 1.078 888 K CA 0.894 57.141 56.287 -0.067 0.000 0.775 888 K CB -2.488 29.977 32.500 -0.059 0.000 1.253 888 K HN 0.647 nan 8.250 nan 0.000 0.486 889 L N -3.396 117.780 121.223 -0.078 0.000 2.303 889 L HA 0.746 5.089 4.340 0.005 0.000 0.256 889 L C -0.635 176.190 176.870 -0.075 0.000 1.034 889 L CA -0.891 53.908 54.840 -0.069 0.000 0.832 889 L CB 1.392 43.415 42.059 -0.060 0.000 1.403 889 L HN -0.168 nan 8.230 nan 0.000 0.419 890 D N -0.083 120.265 120.400 -0.087 0.000 2.278 890 D HA 0.241 4.883 4.640 0.005 0.000 0.245 890 D C -0.181 176.032 176.300 -0.145 0.000 1.052 890 D CA -0.120 53.784 54.000 -0.160 0.000 0.834 890 D CB 1.818 42.505 40.800 -0.188 0.000 1.194 890 D HN 0.816 nan 8.370 nan 0.000 0.481 891 Y N -0.028 120.133 120.300 -0.232 0.000 2.544 891 Y HA 0.275 4.828 4.550 0.005 0.000 0.286 891 Y C 0.202 175.917 175.900 -0.308 0.000 1.141 891 Y CA -0.020 57.890 58.100 -0.317 0.000 1.299 891 Y CB 0.287 38.406 38.460 -0.568 0.000 1.030 891 Y HN 0.107 nan 8.280 nan 0.000 0.543 892 E N 1.653 121.517 120.200 -0.560 0.000 2.210 892 E HA 0.212 4.565 4.350 0.005 0.000 0.266 892 E C -1.156 175.335 176.600 -0.180 0.000 0.883 892 E CA -1.090 55.130 56.400 -0.300 0.000 0.761 892 E CB 1.851 31.322 29.700 -0.382 0.000 1.156 892 E HN 0.086 nan 8.360 nan 0.000 0.412 893 K N 3.901 124.263 120.400 -0.064 0.000 2.419 893 K HA 0.001 4.324 4.320 0.005 0.000 0.282 893 K C -0.152 176.420 176.600 -0.047 0.000 1.056 893 K CA -0.047 56.215 56.287 -0.040 0.000 1.035 893 K CB 0.294 32.796 32.500 0.002 0.000 0.921 893 K HN 0.379 nan 8.250 nan 0.000 0.472 894 K N 2.482 122.849 120.400 -0.055 0.000 2.258 894 K HA 0.239 4.562 4.320 0.005 0.000 0.264 894 K C -0.323 176.273 176.600 -0.007 0.000 1.007 894 K CA -0.681 55.581 56.287 -0.042 0.000 0.941 894 K CB 0.789 33.261 32.500 -0.047 0.000 0.966 894 K HN 0.433 nan 8.250 nan 0.000 0.480 895 A N 1.758 124.580 122.820 0.003 0.000 2.477 895 A HA 0.276 4.599 4.320 0.005 0.000 0.246 895 A C 0.042 177.653 177.584 0.046 0.000 1.078 895 A CA -0.129 51.925 52.037 0.028 0.000 0.770 895 A CB -0.123 18.892 19.000 0.025 0.000 1.011 895 A HN 0.836 nan 8.150 nan 0.000 0.494 896 S N 1.297 117.046 115.700 0.081 0.000 2.709 896 S HA 0.574 5.047 4.470 0.005 0.000 0.302 896 S C 0.300 175.001 174.600 0.168 0.000 1.127 896 S CA -0.677 57.596 58.200 0.121 0.000 0.905 896 S CB 0.748 64.029 63.200 0.135 0.000 1.151 896 S HN 0.387 nan 8.310 nan 0.000 0.510 897 L N -0.115 121.234 121.223 0.211 0.000 2.275 897 L HA 0.269 4.612 4.340 0.005 0.000 0.215 897 L C 1.659 178.687 176.870 0.264 0.000 1.119 897 L CA 1.372 56.332 54.840 0.199 0.000 0.790 897 L CB -1.017 41.143 42.059 0.169 0.000 0.919 897 L HN 0.792 nan 8.230 nan 0.000 0.443 898 F N -0.353 119.703 119.950 0.176 0.000 2.661 898 F HA -0.110 4.420 4.527 0.005 0.000 0.298 898 F C 1.834 177.806 175.800 0.286 0.000 1.137 898 F CA 0.360 58.510 58.000 0.249 0.000 1.454 898 F CB -0.143 38.918 39.000 0.103 0.000 1.103 898 F HN 0.150 nan 8.300 nan 0.000 0.577 899 D N -0.076 120.512 120.400 0.315 0.000 2.350 899 D HA -0.127 4.516 4.640 0.005 0.000 0.216 899 D C 1.785 178.169 176.300 0.139 0.000 0.968 899 D CA 1.010 55.132 54.000 0.203 0.000 0.894 899 D CB -0.257 40.621 40.800 0.129 0.000 0.909 899 D HN 0.337 nan 8.370 nan 0.000 0.520 900 M N -0.924 118.736 119.600 0.099 0.000 2.628 900 M HA 0.105 4.587 4.480 0.005 0.000 0.232 900 M C 0.417 176.492 176.300 -0.374 0.000 1.128 900 M CA 0.362 55.574 55.300 -0.146 0.000 1.040 900 M CB 0.153 32.594 32.600 -0.264 0.000 1.608 900 M HN -0.077 nan 8.290 nan 0.000 0.507 901 F N -0.713 119.267 119.950 0.050 0.000 2.834 901 F HA 0.061 4.591 4.527 0.005 0.000 0.332 901 F C 0.698 176.643 175.800 0.241 0.000 1.056 901 F CA -1.066 56.991 58.000 0.095 0.000 1.178 901 F CB 0.279 39.330 39.000 0.085 0.000 1.037 901 F HN 0.135 nan 8.300 nan 0.000 0.580 902 D N 3.268 123.884 120.400 0.360 0.000 4.368 902 D HA -0.203 4.440 4.640 0.005 0.000 0.202 902 D C -0.311 176.203 176.300 0.356 0.000 1.209 902 D CA 0.984 55.158 54.000 0.291 0.000 0.766 902 D CB -0.442 40.459 40.800 0.170 0.000 1.226 902 D HN 0.382 nan 8.370 nan 0.000 0.663 903 F N 0.000 120.012 119.950 0.103 0.000 2.286 903 F HA 0.000 4.530 4.527 0.005 0.000 0.279 903 F CA 0.000 58.045 58.000 0.075 0.000 1.383 903 F CB 0.000 39.047 39.000 0.078 0.000 1.145 903 F HN 0.000 nan 8.300 nan 0.000 0.574