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 1vld_1_O DATA FIRST_RESID 1 DATA SEQUENCE MGEVVRLTNS STGGPVFVYV KDGKIIRMTP MDFDDAVDAP SWKIEARGKT DATA SEQUENCE FTPPRKTSIA PYTAGFKSMI YSDLRIPYPM KRKSFDPNGE RNPQLRGAGL DATA SEQUENCE SKQDPWSDYE RISWDEATDI VVAEINRIKH AYGPSAILST PSSHHMWGNV DATA SEQUENCE GYRHSTYFRF MNMMGFTYAD HNPDSWEGWH WGGMHMWGFS WRLGNPEQYD DATA SEQUENCE LLEDGLKHAE MIVFWSSDPE TNSGIYAGFE SNIRRQWLKD LGVDFVFIDP DATA SEQUENCE HMNHTARLVA DKWFSPKIGT DHALSFAIAY TWLKEDSYDK EYVAANAHGF DATA SEQUENCE EEWADYVLGK TDGTPKTCEW AEEESGVPAC EIRALARQWA KKNTYLAAGG DATA SEQUENCE LGGWGGACRA SHGIEWARGM IALATMQGMG KPGSNMWSTT QGVPLDYEFY DATA SEQUENCE FPGYAEGGIS GDCENSAAGF KFAWRMFDGK TTFPSPSNLN TSAGQHIPRL DATA SEQUENCE KIPECIMGGK FQWSGKGFAG GDISHQLHQY EYPAPGYSKI KMFWKYGGPH DATA SEQUENCE LGTMTATNRY AKMYTHDSLE FVVSQSIWFE GEVPFADIIL PACTNFERWD DATA SEQUENCE ISEFANCSGY IPDNYQLCNH RVISLQAKCI EPVGESMSDY EIYRLFAKKL DATA SEQUENCE NIEEMFSEGK DELAWCEQYF NATDMPKYMT WDEFFKKGYF VVPDNPNRKK DATA SEQUENCE TVALRWFAEG REKDTPDWGP RLNNQVCRKG LQTTTGKVEF IATSLKNFEE DATA SEQUENCE QGYIDEHRPS MHTYVPAWES QKHSPLAVKY PLGMLSPHPR FSMHTMGDGK DATA SEQUENCE NSYMNYIKDH RVEVDGYKYW IMRVNSIDAE ARGIKNGDLI RAYNDRGSVI DATA SEQUENCE LAAQVTECLQ PGTVHSYESC AVYDPLGTAG KSADRGGCIN ILTPDRYISK DATA SEQUENCE YACGMANNTA LVEIEKWDGD KYEIY 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 0.000 176.312 176.300 0.020 0.000 1.140 1 M CA 0.000 55.310 55.300 0.017 0.000 0.988 1 M CB 0.000 32.611 32.600 0.019 0.000 1.302 2 G N -0.964 107.850 108.800 0.022 0.000 2.634 2 G HA2 0.704 4.664 3.960 -0.000 0.000 0.309 2 G HA3 0.704 4.664 3.960 -0.000 0.000 0.309 2 G C -1.380 173.536 174.900 0.026 0.000 1.299 2 G CA -0.595 44.520 45.100 0.024 0.000 0.798 2 G HN -0.085 nan 8.290 nan 0.000 0.490 3 E N -0.871 119.345 120.200 0.027 0.000 2.292 3 E HA 0.511 4.861 4.350 -0.000 0.000 0.258 3 E C -0.292 176.332 176.600 0.040 0.000 1.115 3 E CA -0.638 55.780 56.400 0.029 0.000 0.929 3 E CB 2.013 31.727 29.700 0.024 0.000 1.161 3 E HN 0.170 nan 8.360 nan 0.000 0.453 4 V N 1.531 121.474 119.914 0.049 0.000 2.461 4 V HA 0.167 4.287 4.120 -0.000 0.000 0.275 4 V C 0.016 176.146 176.094 0.060 0.000 1.047 4 V CA -0.420 61.926 62.300 0.078 0.000 0.955 4 V CB 1.245 33.136 31.823 0.114 0.000 0.988 4 V HN 0.279 nan 8.190 nan 0.000 0.471 5 V N 5.757 125.693 119.914 0.038 0.000 2.555 5 V HA 0.498 4.618 4.120 -0.000 0.000 0.302 5 V C 0.166 176.185 176.094 -0.126 0.000 1.038 5 V CA -0.915 61.368 62.300 -0.029 0.000 0.887 5 V CB 1.867 33.677 31.823 -0.021 0.000 0.991 5 V HN 0.833 nan 8.190 nan 0.000 0.434 6 R N 4.205 124.551 120.500 -0.256 0.000 2.196 6 R HA 0.627 4.967 4.340 -0.000 0.000 0.340 6 R C -1.094 174.998 176.300 -0.346 0.000 1.043 6 R CA -0.269 55.506 56.100 -0.540 0.000 0.883 6 R CB 0.428 30.291 30.300 -0.729 0.000 1.078 6 R HN 0.702 nan 8.270 nan 0.000 0.462 7 L N 1.934 123.003 121.223 -0.256 0.000 2.421 7 L HA 0.603 4.943 4.340 -0.000 0.000 0.267 7 L C 0.176 177.021 176.870 -0.042 0.000 1.036 7 L CA -0.980 53.777 54.840 -0.137 0.000 0.829 7 L CB 2.136 44.133 42.059 -0.103 0.000 1.437 7 L HN 0.669 nan 8.230 nan 0.000 0.488 8 T N -2.009 112.523 114.554 -0.037 0.000 2.900 8 T HA 0.591 4.940 4.350 -0.000 0.000 0.295 8 T C -0.724 173.925 174.700 -0.085 0.000 1.044 8 T CA -0.739 61.368 62.100 0.012 0.000 0.995 8 T CB 2.324 71.220 68.868 0.048 0.000 1.072 8 T HN 0.537 nan 8.240 nan 0.000 0.473 9 N N -0.229 118.404 118.700 -0.113 0.000 3.261 9 N HA 0.588 5.328 4.740 -0.000 0.000 0.248 9 N C -1.530 173.866 175.510 -0.189 0.000 1.498 9 N CA -0.414 52.487 53.050 -0.249 0.000 0.884 9 N CB 2.037 40.165 38.487 -0.598 0.000 1.428 9 N HN 0.780 nan 8.380 nan 0.000 0.517 10 S N -1.025 114.553 115.700 -0.203 0.000 2.880 10 S HA 0.878 5.348 4.470 -0.000 0.000 0.308 10 S C -1.558 173.014 174.600 -0.047 0.000 1.195 10 S CA 0.151 58.317 58.200 -0.056 0.000 0.866 10 S CB 0.688 63.997 63.200 0.183 0.000 1.254 10 S HN 0.993 nan 8.310 nan 0.000 0.571 11 S N -0.641 114.998 115.700 -0.103 0.000 2.643 11 S HA 0.282 4.751 4.470 -0.000 0.000 0.266 11 S C 0.426 174.775 174.600 -0.418 0.000 1.130 11 S CA 0.238 58.375 58.200 -0.104 0.000 0.817 11 S CB 0.171 63.297 63.200 -0.123 0.000 1.107 11 S HN 1.302 nan 8.310 nan 0.000 0.471 12 T N -1.972 112.492 114.554 -0.149 0.000 3.155 12 T HA 0.236 4.586 4.350 -0.000 0.000 0.264 12 T C 1.244 176.028 174.700 0.140 0.000 1.160 12 T CA 1.161 63.189 62.100 -0.120 0.000 1.075 12 T CB -0.791 68.215 68.868 0.229 0.000 0.921 12 T HN 1.332 nan 8.240 nan 0.000 0.533 13 G N -0.528 108.330 108.800 0.098 0.000 3.441 13 G HA2 0.587 4.547 3.960 -0.000 0.000 0.263 13 G HA3 0.587 4.547 3.960 -0.000 0.000 0.263 13 G C 0.496 175.372 174.900 -0.039 0.000 1.014 13 G CA -0.090 45.060 45.100 0.084 0.000 0.833 13 G HN 1.000 nan 8.290 nan 0.000 0.514 14 G N -0.353 108.385 108.800 -0.103 0.000 2.406 14 G HA2 0.208 4.168 3.960 -0.000 0.000 0.680 14 G HA3 0.208 4.168 3.960 -0.000 0.000 0.680 14 G C -3.469 171.168 174.900 -0.438 0.000 1.338 14 G CA -0.981 43.932 45.100 -0.312 0.000 0.941 14 G HN 0.098 nan 8.290 nan 0.000 0.633 15 P HA 0.534 nan 4.420 nan 0.000 0.274 15 P C 0.011 177.097 177.300 -0.355 0.000 1.231 15 P CA -0.301 62.539 63.100 -0.434 0.000 0.790 15 P CB 1.440 32.837 31.700 -0.505 0.000 0.951 16 V N -1.314 118.454 119.914 -0.243 0.000 3.049 16 V HA 0.553 4.673 4.120 -0.000 0.000 0.309 16 V C -1.188 174.850 176.094 -0.094 0.000 1.148 16 V CA -1.012 61.194 62.300 -0.156 0.000 0.990 16 V CB 1.910 33.763 31.823 0.049 0.000 1.039 16 V HN 0.307 nan 8.190 nan 0.000 0.430 17 F N 1.911 121.833 119.950 -0.047 0.000 2.391 17 F HA 0.642 5.169 4.527 -0.000 0.000 0.359 17 F C 0.097 175.868 175.800 -0.047 0.000 1.122 17 F CA -0.943 56.985 58.000 -0.119 0.000 1.120 17 F CB 1.973 40.899 39.000 -0.122 0.000 1.142 17 F HN 0.380 nan 8.300 nan 0.000 0.483 18 V N 5.115 125.094 119.914 0.108 0.000 2.370 18 V HA 0.169 4.288 4.120 -0.000 0.000 0.279 18 V C -0.643 175.436 176.094 -0.026 0.000 1.029 18 V CA -0.906 61.482 62.300 0.146 0.000 0.870 18 V CB 0.627 32.577 31.823 0.213 0.000 0.984 18 V HN 0.425 nan 8.190 nan 0.000 0.451 19 Y N 3.651 124.006 120.300 0.091 0.000 2.350 19 Y HA 0.558 5.108 4.550 -0.000 0.000 0.340 19 Y C 0.241 176.179 175.900 0.062 0.000 1.006 19 Y CA -0.487 57.644 58.100 0.052 0.000 1.166 19 Y CB 1.441 39.923 38.460 0.037 0.000 1.168 19 Y HN 0.377 nan 8.280 nan 0.000 0.502 20 V N 4.351 124.346 119.914 0.135 0.000 2.680 20 V HA 0.539 4.659 4.120 -0.000 0.000 0.309 20 V C -0.574 175.577 176.094 0.095 0.000 1.052 20 V CA -1.372 60.996 62.300 0.113 0.000 0.908 20 V CB 2.056 33.925 31.823 0.077 0.000 1.001 20 V HN 0.648 nan 8.190 nan 0.000 0.431 21 K N 2.449 122.904 120.400 0.091 0.000 2.553 21 K HA 0.330 4.650 4.320 -0.000 0.000 0.250 21 K C -0.909 175.726 176.600 0.058 0.000 0.953 21 K CA -0.499 55.829 56.287 0.068 0.000 0.800 21 K CB 1.355 33.894 32.500 0.065 0.000 1.243 21 K HN 0.774 nan 8.250 nan 0.000 0.435 22 D N 3.282 123.711 120.400 0.048 0.000 2.689 22 D HA -0.187 4.453 4.640 -0.000 0.000 0.237 22 D C 0.538 176.867 176.300 0.048 0.000 1.148 22 D CA 1.808 55.833 54.000 0.042 0.000 0.656 22 D CB -0.960 39.858 40.800 0.030 0.000 1.050 22 D HN 1.126 nan 8.370 nan 0.000 0.426 23 G N 0.161 108.998 108.800 0.061 0.000 2.168 23 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.257 23 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.257 23 G C 0.245 175.204 174.900 0.098 0.000 0.997 23 G CA 0.990 46.134 45.100 0.074 0.000 0.708 23 G HN 0.613 nan 8.290 nan 0.000 0.520 24 K N 0.020 120.482 120.400 0.103 0.000 2.378 24 K HA 0.659 4.978 4.320 -0.000 0.000 0.252 24 K C 0.248 176.958 176.600 0.184 0.000 0.931 24 K CA -1.224 55.150 56.287 0.144 0.000 0.794 24 K CB 1.025 33.561 32.500 0.060 0.000 1.181 24 K HN 0.105 nan 8.250 nan 0.000 0.425 25 I N 6.082 126.821 120.570 0.282 0.000 2.471 25 I HA 0.024 4.194 4.170 -0.000 0.000 0.286 25 I C 1.131 177.379 176.117 0.218 0.000 1.079 25 I CA 0.044 61.481 61.300 0.229 0.000 1.398 25 I CB 0.782 38.888 38.000 0.176 0.000 1.403 25 I HN 0.697 nan 8.210 nan 0.000 0.530 26 I N 5.609 126.288 120.570 0.182 0.000 2.927 26 I HA 0.073 4.243 4.170 -0.000 0.000 0.268 26 I C 0.717 176.913 176.117 0.132 0.000 1.153 26 I CA 0.337 61.724 61.300 0.143 0.000 1.459 26 I CB 0.195 38.267 38.000 0.120 0.000 1.149 26 I HN 0.649 nan 8.210 nan 0.000 0.443 27 R N 0.417 121.021 120.500 0.173 0.000 2.687 27 R HA 0.562 4.902 4.340 -0.000 0.000 0.265 27 R C -1.763 174.682 176.300 0.242 0.000 1.048 27 R CA -0.751 55.439 56.100 0.151 0.000 0.884 27 R CB 1.232 31.559 30.300 0.045 0.000 1.258 27 R HN -0.126 nan 8.270 nan 0.000 0.469 28 M N 2.165 121.878 119.600 0.189 0.000 2.253 28 M HA 0.441 4.921 4.480 -0.000 0.000 0.314 28 M C -0.812 175.591 176.300 0.171 0.000 1.019 28 M CA -0.717 54.711 55.300 0.214 0.000 0.932 28 M CB 2.589 35.284 32.600 0.159 0.000 1.606 28 M HN 0.954 nan 8.290 nan 0.000 0.430 29 T N 0.615 115.293 114.554 0.207 0.000 2.865 29 T HA 0.755 5.104 4.350 -0.000 0.000 0.294 29 T C -3.032 171.697 174.700 0.049 0.000 1.119 29 T CA -2.044 60.136 62.100 0.133 0.000 1.007 29 T CB 2.052 71.028 68.868 0.180 0.000 1.225 29 T HN 0.223 nan 8.240 nan 0.000 0.515 30 P HA 0.305 nan 4.420 nan 0.000 0.271 30 P C -0.552 176.604 177.300 -0.240 0.000 1.244 30 P CA -0.461 62.553 63.100 -0.144 0.000 0.793 30 P CB 0.299 31.934 31.700 -0.108 0.000 0.984 31 M N 1.025 120.358 119.600 -0.444 0.000 2.209 31 M HA 0.245 4.725 4.480 -0.000 0.000 0.355 31 M C -0.084 176.028 176.300 -0.313 0.000 1.171 31 M CA -0.168 54.707 55.300 -0.708 0.000 1.069 31 M CB 0.789 32.778 32.600 -1.017 0.000 1.622 31 M HN 0.174 nan 8.290 nan 0.000 0.459 32 D N 2.976 123.369 120.400 -0.012 0.000 2.177 32 D HA 0.406 5.046 4.640 -0.000 0.000 0.247 32 D C -0.889 175.584 176.300 0.288 0.000 1.063 32 D CA 0.006 54.051 54.000 0.075 0.000 0.867 32 D CB 1.329 42.225 40.800 0.160 0.000 1.168 32 D HN 0.429 nan 8.370 nan 0.000 0.445 33 F N 0.701 120.641 119.950 -0.016 0.000 2.375 33 F HA 0.090 4.617 4.527 -0.000 0.000 0.333 33 F C 1.064 176.907 175.800 0.071 0.000 1.104 33 F CA -0.839 57.176 58.000 0.024 0.000 1.149 33 F CB 1.250 40.209 39.000 -0.069 0.000 1.190 33 F HN 0.137 nan 8.300 nan 0.000 0.533 34 D N 2.353 122.926 120.400 0.289 0.000 2.472 34 D HA 0.109 4.749 4.640 -0.000 0.000 0.234 34 D C 0.330 176.693 176.300 0.105 0.000 1.088 34 D CA -0.483 53.620 54.000 0.171 0.000 0.882 34 D CB 0.535 41.429 40.800 0.157 0.000 1.037 34 D HN 0.318 nan 8.370 nan 0.000 0.520 35 D N 2.633 123.091 120.400 0.095 0.000 2.357 35 D HA -0.146 4.494 4.640 -0.000 0.000 0.216 35 D C 1.617 177.938 176.300 0.034 0.000 0.973 35 D CA 0.849 54.885 54.000 0.060 0.000 0.912 35 D CB 0.100 40.935 40.800 0.058 0.000 0.900 35 D HN 0.546 nan 8.370 nan 0.000 0.501 36 A N -0.019 122.823 122.820 0.036 0.000 2.072 36 A HA 0.060 4.380 4.320 -0.000 0.000 0.216 36 A C 2.089 179.681 177.584 0.013 0.000 1.156 36 A CA 1.158 53.209 52.037 0.024 0.000 0.701 36 A CB 0.150 19.166 19.000 0.026 0.000 0.816 36 A HN 0.245 nan 8.150 nan 0.000 0.458 37 V N -4.622 115.294 119.914 0.003 0.000 3.480 37 V HA 0.243 4.362 4.120 -0.000 0.000 0.263 37 V C -0.594 175.454 176.094 -0.076 0.000 1.442 37 V CA -0.235 62.051 62.300 -0.023 0.000 1.053 37 V CB -0.080 31.724 31.823 -0.032 0.000 0.846 37 V HN 0.159 nan 8.190 nan 0.000 0.440 38 D N 2.773 123.114 120.400 -0.099 0.000 2.232 38 D HA 0.664 5.303 4.640 -0.000 0.000 0.242 38 D C 0.517 176.705 176.300 -0.186 0.000 1.093 38 D CA 0.526 54.391 54.000 -0.226 0.000 0.845 38 D CB 1.967 42.583 40.800 -0.307 0.000 1.124 38 D HN 0.540 nan 8.370 nan 0.000 0.467 39 A N 3.776 126.449 122.820 -0.245 0.000 2.586 39 A HA 0.228 4.548 4.320 -0.000 0.000 0.231 39 A C -2.009 175.531 177.584 -0.074 0.000 1.055 39 A CA -0.518 51.429 52.037 -0.151 0.000 0.756 39 A CB -0.512 18.362 19.000 -0.210 0.000 0.988 39 A HN 0.340 nan 8.150 nan 0.000 0.509 40 P HA 0.200 nan 4.420 nan 0.000 0.270 40 P C -0.020 177.319 177.300 0.066 0.000 1.223 40 P CA -0.093 63.027 63.100 0.034 0.000 0.785 40 P CB 0.619 32.339 31.700 0.034 0.000 0.923 41 S N 0.703 116.448 115.700 0.074 0.000 2.661 41 S HA 0.341 4.811 4.470 -0.000 0.000 0.265 41 S C -0.136 174.459 174.600 -0.007 0.000 1.225 41 S CA -0.664 57.547 58.200 0.018 0.000 0.986 41 S CB 0.150 63.296 63.200 -0.090 0.000 1.008 41 S HN 0.511 nan 8.310 nan 0.000 0.565 42 W N 0.205 121.547 121.300 0.071 0.000 2.253 42 W HA 0.672 5.331 4.660 -0.000 0.000 0.348 42 W C -0.863 175.697 176.519 0.068 0.000 1.229 42 W CA -0.786 56.589 57.345 0.051 0.000 1.335 42 W CB 0.097 29.573 29.460 0.026 0.000 1.165 42 W HN 0.366 nan 8.180 nan 0.000 0.631 43 K N 1.634 122.310 120.400 0.460 0.000 2.422 43 K HA 0.636 4.956 4.320 -0.000 0.000 0.251 43 K C -1.070 175.763 176.600 0.388 0.000 0.933 43 K CA -0.936 55.550 56.287 0.331 0.000 0.798 43 K CB 2.832 35.412 32.500 0.133 0.000 1.238 43 K HN 0.389 nan 8.250 nan 0.000 0.428 44 I N 2.514 123.298 120.570 0.357 0.000 2.468 44 I HA 0.189 4.359 4.170 -0.000 0.000 0.285 44 I C -0.922 175.317 176.117 0.205 0.000 1.039 44 I CA -0.776 60.685 61.300 0.268 0.000 1.074 44 I CB 2.076 40.255 38.000 0.298 0.000 1.228 44 I HN 0.502 nan 8.210 nan 0.000 0.436 45 E N 5.120 125.394 120.200 0.123 0.000 2.227 45 E HA 0.741 5.091 4.350 -0.000 0.000 0.282 45 E C -0.666 175.999 176.600 0.108 0.000 1.015 45 E CA -0.308 56.137 56.400 0.076 0.000 0.823 45 E CB 1.804 31.523 29.700 0.032 0.000 1.081 45 E HN 0.634 nan 8.360 nan 0.000 0.396 46 A N 3.310 126.222 122.820 0.153 0.000 2.513 46 A HA 0.499 4.818 4.320 -0.000 0.000 0.296 46 A C -0.668 177.006 177.584 0.149 0.000 1.052 46 A CA -0.842 51.278 52.037 0.139 0.000 0.714 46 A CB 0.833 19.918 19.000 0.142 0.000 1.279 46 A HN 0.691 nan 8.150 nan 0.000 0.397 47 R N 1.316 121.856 120.500 0.066 0.000 3.251 47 R HA -0.235 4.105 4.340 -0.000 0.000 0.249 47 R C 1.181 177.512 176.300 0.051 0.000 0.949 47 R CA 1.340 57.477 56.100 0.062 0.000 0.645 47 R CB -1.845 28.505 30.300 0.082 0.000 1.065 47 R HN 2.570 nan 8.270 nan 0.000 0.452 48 G N -0.710 108.102 108.800 0.021 0.000 2.184 48 G HA2 -0.375 3.584 3.960 -0.000 0.000 0.264 48 G HA3 -0.375 3.584 3.960 -0.000 0.000 0.264 48 G C 0.086 174.944 174.900 -0.070 0.000 0.975 48 G CA 1.088 46.179 45.100 -0.014 0.000 0.642 48 G HN 0.443 nan 8.290 nan 0.000 0.536 49 K N -0.305 120.030 120.400 -0.108 0.000 2.340 49 K HA 0.656 4.975 4.320 -0.000 0.000 0.244 49 K C -0.785 175.530 176.600 -0.476 0.000 0.973 49 K CA -0.609 55.467 56.287 -0.352 0.000 0.828 49 K CB 1.780 33.938 32.500 -0.571 0.000 1.226 49 K HN 0.027 nan 8.250 nan 0.000 0.437 50 T N 2.011 116.195 114.554 -0.618 0.000 2.772 50 T HA 0.420 4.770 4.350 -0.000 0.000 0.288 50 T C -0.990 173.266 174.700 -0.740 0.000 0.994 50 T CA -0.520 61.302 62.100 -0.465 0.000 0.951 50 T CB -0.044 68.677 68.868 -0.245 0.000 0.933 50 T HN 0.221 nan 8.240 nan 0.000 0.447 51 F N 2.048 121.807 119.950 -0.319 0.000 2.385 51 F HA 0.539 5.066 4.527 -0.000 0.000 0.360 51 F C 0.936 176.555 175.800 -0.302 0.000 1.122 51 F CA -0.701 56.910 58.000 -0.647 0.000 1.090 51 F CB 1.675 40.002 39.000 -1.122 0.000 1.150 51 F HN 0.329 nan 8.300 nan 0.000 0.472 52 T N 5.240 119.720 114.554 -0.123 0.000 2.886 52 T HA 0.480 4.830 4.350 -0.000 0.000 0.292 52 T C -2.655 172.054 174.700 0.016 0.000 1.012 52 T CA -1.955 60.044 62.100 -0.169 0.000 0.982 52 T CB 1.360 70.141 68.868 -0.145 0.000 1.018 52 T HN 0.311 nan 8.240 nan 0.000 0.451 53 P HA 0.392 nan 4.420 nan 0.000 0.274 53 P C -2.779 174.538 177.300 0.029 0.000 1.246 53 P CA -1.376 61.698 63.100 -0.044 0.000 0.795 53 P CB -0.452 31.064 31.700 -0.307 0.000 1.006 54 P HA 0.164 nan 4.420 nan 0.000 0.269 54 P C 0.267 177.522 177.300 -0.074 0.000 1.209 54 P CA 0.007 63.107 63.100 0.000 0.000 0.776 54 P CB 0.288 31.969 31.700 -0.031 0.000 0.876 55 R N 2.851 123.251 120.500 -0.168 0.000 4.792 55 R HA 0.184 4.524 4.340 -0.000 0.000 0.205 55 R C 0.404 176.181 176.300 -0.871 0.000 1.875 55 R CA 0.238 56.126 56.100 -0.354 0.000 1.588 55 R CB -0.574 29.687 30.300 -0.065 0.000 1.401 55 R HN 0.509 nan 8.270 nan 0.000 0.834 56 K N -0.232 119.508 120.400 -1.099 0.000 2.642 56 K HA 0.156 4.476 4.320 -0.000 0.000 0.290 56 K C -0.823 175.385 176.600 -0.653 0.000 1.006 56 K CA -0.491 55.218 56.287 -0.964 0.000 0.869 56 K CB 1.529 33.776 32.500 -0.422 0.000 1.499 56 K HN 0.114 nan 8.250 nan 0.000 0.403 57 T N -1.388 112.908 114.554 -0.429 0.000 2.889 57 T HA 0.705 5.054 4.350 -0.000 0.000 0.278 57 T C -0.110 174.533 174.700 -0.095 0.000 0.995 57 T CA -0.455 61.552 62.100 -0.154 0.000 0.966 57 T CB 1.247 69.983 68.868 -0.221 0.000 1.237 57 T HN 0.666 nan 8.240 nan 0.000 0.591 58 S N -0.382 115.323 115.700 0.008 0.000 2.627 58 S HA 0.791 5.260 4.470 -0.000 0.000 0.283 58 S C -0.669 173.948 174.600 0.029 0.000 1.127 58 S CA -1.098 57.131 58.200 0.048 0.000 0.863 58 S CB 1.083 64.381 63.200 0.163 0.000 1.121 58 S HN 1.220 nan 8.310 nan 0.000 0.479 59 I N -1.483 119.112 120.570 0.042 0.000 2.934 59 I HA 0.929 5.099 4.170 -0.000 0.000 0.306 59 I C -0.124 175.997 176.117 0.006 0.000 1.110 59 I CA -1.598 59.688 61.300 -0.023 0.000 1.019 59 I CB 1.607 39.566 38.000 -0.067 0.000 1.227 59 I HN 0.864 nan 8.210 nan 0.000 0.434 60 A N 3.993 126.684 122.820 -0.216 0.000 2.271 60 A HA 0.663 4.983 4.320 -0.000 0.000 0.288 60 A C -1.941 175.429 177.584 -0.357 0.000 1.094 60 A CA -1.508 50.275 52.037 -0.423 0.000 0.828 60 A CB -0.117 18.237 19.000 -1.076 0.000 1.091 60 A HN 0.709 nan 8.150 nan 0.000 0.493 61 P HA -0.199 nan 4.420 nan 0.000 0.214 61 P C 0.931 178.195 177.300 -0.061 0.000 1.163 61 P CA 2.103 65.178 63.100 -0.042 0.000 0.883 61 P CB -0.279 31.527 31.700 0.176 0.000 0.788 62 Y N -2.090 118.263 120.300 0.089 0.000 2.556 62 Y HA -0.053 4.497 4.550 -0.000 0.000 0.290 62 Y C 1.746 177.740 175.900 0.156 0.000 1.149 62 Y CA 1.112 59.262 58.100 0.083 0.000 1.329 62 Y CB -2.263 36.226 38.460 0.049 0.000 0.975 62 Y HN -0.129 nan 8.280 nan 0.000 0.561 63 T N -0.139 114.423 114.554 0.012 0.000 3.039 63 T HA 0.214 4.564 4.350 -0.000 0.000 0.250 63 T C 2.206 176.962 174.700 0.094 0.000 1.052 63 T CA 0.695 62.852 62.100 0.096 0.000 1.125 63 T CB -0.298 68.539 68.868 -0.052 0.000 0.908 63 T HN 0.496 nan 8.240 nan 0.000 0.473 64 A N 1.234 124.073 122.820 0.030 0.000 1.940 64 A HA 0.118 4.438 4.320 -0.000 0.000 0.219 64 A C 2.119 179.767 177.584 0.106 0.000 1.176 64 A CA 1.720 53.788 52.037 0.052 0.000 0.631 64 A CB -0.823 18.192 19.000 0.025 0.000 0.814 64 A HN 0.492 nan 8.150 nan 0.000 0.446 65 G N -2.780 106.099 108.800 0.133 0.000 3.605 65 G HA2 0.295 4.255 3.960 -0.000 0.000 0.277 65 G HA3 0.295 4.255 3.960 -0.000 0.000 0.277 65 G C 0.708 175.645 174.900 0.062 0.000 1.093 65 G CA 0.108 45.310 45.100 0.170 0.000 0.821 65 G HN 0.315 nan 8.290 nan 0.000 0.532 66 F N 1.365 121.280 119.950 -0.058 0.000 2.202 66 F HA -0.031 4.496 4.527 -0.000 0.000 0.301 66 F C 2.442 178.092 175.800 -0.251 0.000 1.082 66 F CA 1.569 59.487 58.000 -0.137 0.000 1.313 66 F CB 0.269 39.179 39.000 -0.150 0.000 1.024 66 F HN 0.213 nan 8.300 nan 0.000 0.495 67 K N 0.125 120.409 120.400 -0.194 0.000 2.160 67 K HA -0.210 4.110 4.320 -0.000 0.000 0.206 67 K C 2.150 178.514 176.600 -0.394 0.000 1.047 67 K CA 1.646 57.758 56.287 -0.291 0.000 0.930 67 K CB -0.311 32.152 32.500 -0.062 0.000 0.720 67 K HN 0.412 nan 8.250 nan 0.000 0.450 68 S N -0.150 115.221 115.700 -0.549 0.000 2.474 68 S HA -0.100 4.370 4.470 -0.000 0.000 0.235 68 S C 1.803 176.115 174.600 -0.479 0.000 0.997 68 S CA 0.851 58.594 58.200 -0.762 0.000 0.949 68 S CB -0.130 62.152 63.200 -1.529 0.000 0.766 68 S HN 0.298 nan 8.310 nan 0.000 0.517 69 M N 0.503 119.777 119.600 -0.544 0.000 2.357 69 M HA 0.266 4.746 4.480 -0.000 0.000 0.266 69 M C 2.007 178.188 176.300 -0.198 0.000 1.095 69 M CA 0.817 55.850 55.300 -0.445 0.000 1.156 69 M CB -0.364 31.754 32.600 -0.804 0.000 1.365 69 M HN 0.261 nan 8.290 nan 0.000 0.447 70 I N -0.616 119.666 120.570 -0.480 0.000 2.163 70 I HA -0.278 3.892 4.170 -0.000 0.000 0.243 70 I C 1.159 177.112 176.117 -0.274 0.000 1.085 70 I CA 1.500 62.553 61.300 -0.411 0.000 1.347 70 I CB -0.287 37.311 38.000 -0.669 0.000 1.044 70 I HN 0.250 nan 8.210 nan 0.000 0.408 71 Y N 0.727 120.969 120.300 -0.095 0.000 2.583 71 Y HA 0.245 4.795 4.550 -0.000 0.000 0.294 71 Y C 1.330 177.206 175.900 -0.041 0.000 1.170 71 Y CA -0.838 57.228 58.100 -0.057 0.000 1.265 71 Y CB -0.750 37.677 38.460 -0.054 0.000 1.119 71 Y HN -0.054 nan 8.280 nan 0.000 0.522 72 S N 1.424 117.185 115.700 0.101 0.000 2.563 72 S HA -0.075 4.395 4.470 -0.000 0.000 0.284 72 S C 1.346 176.015 174.600 0.115 0.000 1.331 72 S CA 0.021 58.279 58.200 0.097 0.000 1.047 72 S CB 0.490 63.796 63.200 0.176 0.000 0.859 72 S HN 0.621 nan 8.310 nan 0.000 0.514 73 D N 3.453 123.903 120.400 0.084 0.000 2.340 73 D HA -0.031 4.609 4.640 -0.000 0.000 0.220 73 D C 1.270 177.641 176.300 0.118 0.000 1.039 73 D CA 0.350 54.381 54.000 0.053 0.000 0.866 73 D CB -0.128 40.676 40.800 0.007 0.000 0.913 73 D HN 0.535 nan 8.370 nan 0.000 0.523 74 L N -0.187 121.172 121.223 0.226 0.000 2.607 74 L HA 0.188 4.528 4.340 -0.000 0.000 0.228 74 L C 0.861 177.978 176.870 0.412 0.000 1.123 74 L CA -0.560 54.517 54.840 0.396 0.000 0.890 74 L CB 0.085 42.337 42.059 0.322 0.000 1.103 74 L HN -0.175 nan 8.230 nan 0.000 0.468 75 R N 1.752 122.424 120.500 0.286 0.000 2.449 75 R HA 0.102 4.441 4.340 -0.000 0.000 0.296 75 R C -0.109 176.213 176.300 0.037 0.000 1.047 75 R CA 0.080 56.238 56.100 0.098 0.000 1.018 75 R CB -0.031 30.280 30.300 0.019 0.000 0.962 75 R HN 0.068 nan 8.270 nan 0.000 0.428 76 I N 9.149 129.689 120.570 -0.050 0.000 2.752 76 I HA -0.042 4.128 4.170 -0.000 0.000 0.286 76 I C -1.041 174.967 176.117 -0.181 0.000 1.180 76 I CA -0.841 60.400 61.300 -0.099 0.000 1.404 76 I CB 0.824 38.739 38.000 -0.140 0.000 1.389 76 I HN 0.684 nan 8.210 nan 0.000 0.549 77 P HA -0.095 nan 4.420 nan 0.000 0.218 77 P C -0.610 176.485 177.300 -0.341 0.000 1.152 77 P CA 1.545 64.379 63.100 -0.443 0.000 0.826 77 P CB 0.311 31.545 31.700 -0.777 0.000 0.790 78 Y N -5.735 114.523 120.300 -0.071 0.000 2.814 78 Y HA 0.613 5.163 4.550 -0.000 0.000 0.348 78 Y C -3.277 172.455 175.900 -0.280 0.000 1.245 78 Y CA -3.989 54.025 58.100 -0.144 0.000 1.086 78 Y CB -0.913 37.487 38.460 -0.100 0.000 1.373 78 Y HN -0.373 nan 8.280 nan 0.000 0.451 79 P HA 0.213 nan 4.420 nan 0.000 0.264 79 P C -0.795 176.487 177.300 -0.029 0.000 1.193 79 P CA 0.739 63.620 63.100 -0.365 0.000 0.763 79 P CB 0.305 31.601 31.700 -0.674 0.000 0.810 80 M N 2.721 122.301 119.600 -0.033 0.000 2.602 80 M HA 0.476 4.956 4.480 -0.000 0.000 0.312 80 M C -0.007 176.380 176.300 0.145 0.000 1.181 80 M CA -0.634 54.723 55.300 0.096 0.000 0.910 80 M CB 2.798 35.418 32.600 0.034 0.000 1.723 80 M HN 0.110 nan 8.290 nan 0.000 0.459 81 K N 1.444 122.001 120.400 0.261 0.000 2.422 81 K HA 0.492 4.812 4.320 -0.000 0.000 0.251 81 K C -1.191 175.591 176.600 0.303 0.000 0.933 81 K CA -0.807 55.651 56.287 0.285 0.000 0.798 81 K CB 2.343 34.958 32.500 0.192 0.000 1.238 81 K HN 0.749 nan 8.250 nan 0.000 0.428 82 R N 3.632 124.251 120.500 0.199 0.000 2.316 82 R HA 0.063 4.403 4.340 -0.000 0.000 0.314 82 R C 0.504 176.801 176.300 -0.005 0.000 1.069 82 R CA 0.243 56.232 56.100 -0.185 0.000 0.959 82 R CB 0.588 30.767 30.300 -0.201 0.000 0.987 82 R HN 0.697 nan 8.270 nan 0.000 0.446 83 K N 1.405 121.756 120.400 -0.082 0.000 2.034 83 K HA -0.188 4.132 4.320 -0.000 0.000 0.214 83 K C 1.640 178.254 176.600 0.022 0.000 1.051 83 K CA 2.307 58.588 56.287 -0.010 0.000 0.931 83 K CB -0.098 32.383 32.500 -0.031 0.000 0.715 83 K HN 0.709 nan 8.250 nan 0.000 0.446 84 S N 0.457 116.164 115.700 0.012 0.000 2.595 84 S HA -0.088 4.382 4.470 -0.000 0.000 0.235 84 S C 0.369 175.050 174.600 0.135 0.000 0.974 84 S CA 0.070 58.300 58.200 0.049 0.000 0.942 84 S CB -0.402 62.817 63.200 0.031 0.000 0.766 84 S HN 0.217 nan 8.310 nan 0.000 0.536 85 F N 3.077 123.026 119.950 -0.001 0.000 2.334 85 F HA 0.530 5.057 4.527 -0.000 0.000 0.367 85 F C -0.610 175.216 175.800 0.044 0.000 1.115 85 F CA -1.752 56.274 58.000 0.043 0.000 1.116 85 F CB 0.869 39.919 39.000 0.083 0.000 1.230 85 F HN -0.046 nan 8.300 nan 0.000 0.484 86 D N 8.609 128.727 120.400 -0.471 0.000 2.453 86 D HA 0.383 5.023 4.640 -0.000 0.000 0.238 86 D C -2.079 173.826 176.300 -0.660 0.000 1.088 86 D CA -2.592 51.138 54.000 -0.450 0.000 0.854 86 D CB 2.102 42.780 40.800 -0.203 0.000 1.076 86 D HN 0.209 nan 8.370 nan 0.000 0.533 87 P HA -0.106 nan 4.420 nan 0.000 0.217 87 P C -0.050 177.090 177.300 -0.267 0.000 1.148 87 P CA 1.152 63.927 63.100 -0.542 0.000 0.834 87 P CB 0.248 31.750 31.700 -0.330 0.000 0.783 88 N N -1.921 116.659 118.700 -0.201 0.000 2.214 88 N HA 0.256 4.996 4.740 -0.000 0.000 0.214 88 N C 0.753 176.208 175.510 -0.092 0.000 1.132 88 N CA 0.141 53.124 53.050 -0.113 0.000 0.856 88 N CB 0.635 39.074 38.487 -0.080 0.000 1.020 88 N HN 0.123 nan 8.380 nan 0.000 0.509 89 G N -0.705 108.023 108.800 -0.120 0.000 3.003 89 G HA2 0.194 4.154 3.960 -0.000 0.000 0.243 89 G HA3 0.194 4.154 3.960 -0.000 0.000 0.243 89 G C -1.162 173.696 174.900 -0.070 0.000 1.176 89 G CA -0.521 44.532 45.100 -0.077 0.000 0.812 89 G HN -0.109 nan 8.290 nan 0.000 0.584 90 E N 0.964 121.140 120.200 -0.041 0.000 2.406 90 E HA 0.126 4.476 4.350 -0.000 0.000 0.258 90 E C 0.923 177.519 176.600 -0.006 0.000 1.043 90 E CA 0.056 56.453 56.400 -0.006 0.000 0.929 90 E CB 1.291 30.997 29.700 0.010 0.000 0.969 90 E HN 0.427 nan 8.360 nan 0.000 0.462 91 R N 2.199 122.734 120.500 0.058 0.000 2.276 91 R HA 0.044 4.384 4.340 -0.000 0.000 0.196 91 R C -0.115 176.362 176.300 0.296 0.000 0.961 91 R CA -0.262 55.958 56.100 0.201 0.000 1.024 91 R CB 0.067 30.576 30.300 0.349 0.000 0.940 91 R HN 0.458 nan 8.270 nan 0.000 0.480 92 N N 1.176 119.977 118.700 0.169 0.000 2.650 92 N HA -0.118 4.622 4.740 -0.000 0.000 0.272 92 N C -2.225 173.381 175.510 0.161 0.000 1.058 92 N CA 0.339 53.472 53.050 0.139 0.000 0.765 92 N CB -0.449 38.104 38.487 0.110 0.000 0.902 92 N HN 0.191 nan 8.380 nan 0.000 0.551 93 P HA -0.183 nan 4.420 nan 0.000 0.218 93 P C 1.708 179.091 177.300 0.137 0.000 1.148 93 P CA 1.134 64.329 63.100 0.158 0.000 0.822 93 P CB 0.164 31.947 31.700 0.138 0.000 0.784 94 Q N -0.127 119.737 119.800 0.106 0.000 2.500 94 Q HA -0.074 4.266 4.340 -0.000 0.000 0.213 94 Q C 1.213 177.272 176.000 0.098 0.000 0.974 94 Q CA 1.197 57.059 55.803 0.097 0.000 0.918 94 Q CB -0.991 27.788 28.738 0.069 0.000 0.980 94 Q HN 0.340 nan 8.270 nan 0.000 0.505 95 L N 0.867 122.146 121.223 0.093 0.000 2.769 95 L HA 0.307 4.646 4.340 -0.000 0.000 0.240 95 L C 0.418 177.317 176.870 0.049 0.000 1.163 95 L CA -0.340 54.538 54.840 0.063 0.000 0.962 95 L CB 0.274 42.359 42.059 0.045 0.000 1.258 95 L HN -0.024 nan 8.230 nan 0.000 0.513 96 R N 0.445 121.009 120.500 0.105 0.000 2.442 96 R HA 0.274 4.614 4.340 -0.000 0.000 0.291 96 R C 1.164 177.520 176.300 0.092 0.000 1.069 96 R CA 0.646 56.815 56.100 0.115 0.000 1.022 96 R CB 0.578 31.021 30.300 0.240 0.000 0.976 96 R HN 0.283 nan 8.270 nan 0.000 0.443 97 G N 1.823 110.523 108.800 -0.167 0.000 2.155 97 G HA2 -0.400 3.559 3.960 -0.000 0.000 0.257 97 G HA3 -0.400 3.559 3.960 -0.000 0.000 0.257 97 G C 0.970 175.736 174.900 -0.224 0.000 0.983 97 G CA 0.507 45.297 45.100 -0.517 0.000 0.676 97 G HN 0.746 nan 8.290 nan 0.000 0.528 98 A N 0.079 122.840 122.820 -0.099 0.000 1.940 98 A HA 0.229 4.549 4.320 -0.000 0.000 0.219 98 A C 2.800 180.348 177.584 -0.061 0.000 1.176 98 A CA 2.276 54.285 52.037 -0.046 0.000 0.631 98 A CB -0.942 18.043 19.000 -0.024 0.000 0.814 98 A HN 1.624 nan 8.150 nan 0.000 0.446 99 G N -0.707 108.043 108.800 -0.084 0.000 2.432 99 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.219 99 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.219 99 G C 1.388 176.250 174.900 -0.064 0.000 1.135 99 G CA 1.117 46.191 45.100 -0.044 0.000 0.767 99 G HN 0.378 nan 8.290 nan 0.000 0.550 100 L N 1.144 122.279 121.223 -0.146 0.000 2.109 100 L HA 0.097 4.437 4.340 -0.000 0.000 0.207 100 L C 2.819 179.623 176.870 -0.111 0.000 1.086 100 L CA 1.496 56.227 54.840 -0.182 0.000 0.760 100 L CB -0.550 41.310 42.059 -0.331 0.000 0.910 100 L HN 0.140 nan 8.230 nan 0.000 0.437 101 S N -0.302 115.358 115.700 -0.068 0.000 2.537 101 S HA -0.121 4.349 4.470 -0.000 0.000 0.240 101 S C 1.217 175.811 174.600 -0.009 0.000 0.981 101 S CA 1.014 59.206 58.200 -0.013 0.000 0.948 101 S CB -0.338 62.874 63.200 0.020 0.000 0.759 101 S HN 0.594 nan 8.310 nan 0.000 0.531 102 K N -0.121 120.268 120.400 -0.019 0.000 2.619 102 K HA 0.331 4.651 4.320 -0.000 0.000 0.201 102 K C -0.497 176.102 176.600 -0.002 0.000 1.090 102 K CA -0.292 55.993 56.287 -0.003 0.000 1.063 102 K CB 0.255 32.758 32.500 0.005 0.000 0.810 102 K HN -0.158 nan 8.250 nan 0.000 0.506 103 Q N 1.017 120.804 119.800 -0.022 0.000 2.461 103 Q HA -0.210 4.129 4.340 -0.000 0.000 0.273 103 Q C -0.980 175.037 176.000 0.029 0.000 1.163 103 Q CA 1.671 57.465 55.803 -0.016 0.000 0.929 103 Q CB -1.859 26.874 28.738 -0.008 0.000 1.334 103 Q HN 0.635 nan 8.270 nan 0.000 0.499 104 D N -2.254 118.171 120.400 0.042 0.000 2.735 104 D HA 0.296 4.936 4.640 -0.000 0.000 0.291 104 D C -2.051 174.332 176.300 0.138 0.000 1.205 104 D CA -1.961 52.103 54.000 0.106 0.000 0.777 104 D CB 0.863 41.717 40.800 0.089 0.000 1.234 104 D HN -0.140 nan 8.370 nan 0.000 0.520 105 P HA -0.148 nan 4.420 nan 0.000 0.215 105 P C 1.067 178.571 177.300 0.340 0.000 1.163 105 P CA 1.379 64.560 63.100 0.134 0.000 0.894 105 P CB 0.028 31.735 31.700 0.012 0.000 0.791 106 W N 0.045 121.522 121.300 0.296 0.000 2.392 106 W HA -0.094 4.566 4.660 -0.000 0.000 0.279 106 W C 2.546 179.139 176.519 0.123 0.000 1.225 106 W CA 1.521 58.934 57.345 0.113 0.000 1.233 106 W CB -1.600 27.800 29.460 -0.100 0.000 1.122 106 W HN 0.011 nan 8.180 nan 0.000 0.561 107 S N -0.707 115.174 115.700 0.301 0.000 2.537 107 S HA -0.168 4.301 4.470 -0.000 0.000 0.240 107 S C 1.279 175.935 174.600 0.092 0.000 0.981 107 S CA 1.498 59.796 58.200 0.164 0.000 0.948 107 S CB -0.307 62.957 63.200 0.107 0.000 0.759 107 S HN 0.126 nan 8.310 nan 0.000 0.531 108 D N 0.100 120.549 120.400 0.080 0.000 2.249 108 D HA 0.184 4.823 4.640 -0.000 0.000 0.205 108 D C -0.327 175.731 176.300 -0.403 0.000 0.962 108 D CA 0.636 54.517 54.000 -0.197 0.000 0.860 108 D CB 0.096 40.682 40.800 -0.356 0.000 0.955 108 D HN 0.516 nan 8.370 nan 0.000 0.505 109 Y N 0.405 120.758 120.300 0.088 0.000 2.528 109 Y HA 0.390 4.940 4.550 -0.000 0.000 0.335 109 Y C 0.481 176.434 175.900 0.089 0.000 1.093 109 Y CA -1.177 56.974 58.100 0.084 0.000 1.134 109 Y CB 1.136 39.643 38.460 0.077 0.000 1.253 109 Y HN -0.215 nan 8.280 nan 0.000 0.478 110 E N 0.951 121.283 120.200 0.220 0.000 2.312 110 E HA 0.515 4.865 4.350 -0.000 0.000 0.267 110 E C -1.172 175.504 176.600 0.127 0.000 0.894 110 E CA -1.383 55.098 56.400 0.136 0.000 0.773 110 E CB 2.199 31.940 29.700 0.069 0.000 1.241 110 E HN 0.597 nan 8.360 nan 0.000 0.432 111 R N 2.611 123.128 120.500 0.029 0.000 2.438 111 R HA 0.389 4.728 4.340 -0.000 0.000 0.287 111 R C -0.175 176.038 176.300 -0.145 0.000 1.077 111 R CA -0.181 55.830 56.100 -0.149 0.000 1.034 111 R CB 0.361 30.305 30.300 -0.594 0.000 0.993 111 R HN 0.706 nan 8.270 nan 0.000 0.459 112 I N -0.285 120.202 120.570 -0.138 0.000 3.174 112 I HA 0.489 4.659 4.170 -0.000 0.000 0.313 112 I C -0.511 175.523 176.117 -0.139 0.000 1.155 112 I CA -1.190 60.049 61.300 -0.102 0.000 0.977 112 I CB 2.284 40.262 38.000 -0.036 0.000 1.248 112 I HN 0.670 nan 8.210 nan 0.000 0.453 113 S N 0.868 116.518 115.700 -0.083 0.000 2.652 113 S HA 0.291 4.761 4.470 -0.000 0.000 0.270 113 S C 0.255 174.839 174.600 -0.027 0.000 1.243 113 S CA -0.455 57.719 58.200 -0.043 0.000 0.999 113 S CB 0.925 64.137 63.200 0.019 0.000 0.973 113 S HN 0.875 nan 8.310 nan 0.000 0.544 114 W N 0.648 121.936 121.300 -0.019 0.000 2.358 114 W HA -0.071 4.589 4.660 -0.000 0.000 0.303 114 W C 2.196 178.674 176.519 -0.067 0.000 1.208 114 W CA 1.600 58.918 57.345 -0.045 0.000 1.274 114 W CB -0.421 29.006 29.460 -0.055 0.000 1.138 114 W HN 0.928 nan 8.180 nan 0.000 0.515 115 D N 0.046 120.563 120.400 0.195 0.000 2.092 115 D HA -0.278 4.362 4.640 -0.000 0.000 0.193 115 D C 1.949 178.289 176.300 0.066 0.000 0.994 115 D CA 1.988 56.047 54.000 0.098 0.000 0.828 115 D CB -0.245 40.598 40.800 0.072 0.000 0.963 115 D HN 0.234 nan 8.370 nan 0.000 0.450 116 E N -0.675 119.556 120.200 0.052 0.000 2.106 116 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 116 E C 1.947 178.579 176.600 0.053 0.000 0.984 116 E CA 0.860 57.285 56.400 0.042 0.000 0.806 116 E CB -0.151 29.564 29.700 0.025 0.000 0.750 116 E HN 0.320 nan 8.360 nan 0.000 0.458 117 A N 0.755 123.596 122.820 0.035 0.000 1.858 117 A HA -0.209 4.110 4.320 -0.000 0.000 0.216 117 A C 2.507 180.156 177.584 0.108 0.000 1.190 117 A CA 2.496 54.558 52.037 0.042 0.000 0.617 117 A CB -1.394 17.556 19.000 -0.083 0.000 0.827 117 A HN 0.521 nan 8.150 nan 0.000 0.443 118 T N -2.419 112.173 114.554 0.064 0.000 2.833 118 T HA -0.147 4.203 4.350 -0.000 0.000 0.269 118 T C 1.335 176.128 174.700 0.155 0.000 1.054 118 T CA 1.733 63.830 62.100 -0.006 0.000 1.135 118 T CB -0.507 68.132 68.868 -0.381 0.000 0.869 118 T HN 0.334 nan 8.240 nan 0.000 0.466 119 D N 1.215 121.677 120.400 0.104 0.000 2.117 119 D HA 0.066 4.706 4.640 -0.000 0.000 0.197 119 D C 1.992 178.361 176.300 0.115 0.000 0.987 119 D CA 0.740 54.804 54.000 0.107 0.000 0.829 119 D CB -0.333 40.508 40.800 0.068 0.000 0.961 119 D HN 0.447 nan 8.370 nan 0.000 0.460 120 I N -0.003 120.633 120.570 0.110 0.000 2.179 120 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 120 I C 2.267 178.418 176.117 0.056 0.000 1.088 120 I CA 0.626 61.968 61.300 0.071 0.000 1.357 120 I CB -0.200 37.871 38.000 0.118 0.000 1.051 120 I HN -0.072 nan 8.210 nan 0.000 0.409 121 V N 0.372 120.415 119.914 0.214 0.000 2.295 121 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 121 V C 2.460 178.682 176.094 0.214 0.000 1.049 121 V CA 1.604 64.064 62.300 0.265 0.000 1.024 121 V CB -0.578 31.441 31.823 0.326 0.000 0.648 121 V HN 0.235 nan 8.190 nan 0.000 0.447 122 V N 0.399 120.503 119.914 0.316 0.000 2.287 122 V HA -0.306 3.814 4.120 -0.000 0.000 0.248 122 V C 2.749 178.928 176.094 0.142 0.000 1.053 122 V CA 2.181 64.642 62.300 0.269 0.000 1.027 122 V CB -1.182 30.817 31.823 0.293 0.000 0.646 122 V HN 0.576 nan 8.190 nan 0.000 0.447 123 A N -0.821 122.052 122.820 0.089 0.000 1.940 123 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 123 A C 2.228 179.816 177.584 0.008 0.000 1.176 123 A CA 1.760 53.818 52.037 0.035 0.000 0.631 123 A CB -0.376 18.626 19.000 0.005 0.000 0.814 123 A HN 0.533 nan 8.150 nan 0.000 0.446 124 E N -0.124 120.052 120.200 -0.040 0.000 2.046 124 E HA -0.085 4.265 4.350 -0.000 0.000 0.190 124 E C 2.042 178.697 176.600 0.091 0.000 0.982 124 E CA 0.827 57.196 56.400 -0.052 0.000 0.800 124 E CB -0.405 29.106 29.700 -0.314 0.000 0.756 124 E HN 0.707 nan 8.360 nan 0.000 0.449 125 I N 2.002 122.655 120.570 0.139 0.000 2.091 125 I HA -0.338 3.832 4.170 -0.000 0.000 0.239 125 I C 1.914 178.101 176.117 0.117 0.000 1.061 125 I CA 1.249 62.658 61.300 0.182 0.000 1.317 125 I CB -0.381 37.743 38.000 0.207 0.000 1.031 125 I HN 0.059 nan 8.210 nan 0.000 0.401 126 N N 0.425 119.163 118.700 0.064 0.000 2.244 126 N HA -0.177 4.563 4.740 -0.000 0.000 0.183 126 N C 1.822 177.314 175.510 -0.030 0.000 1.016 126 N CA 0.921 53.952 53.050 -0.031 0.000 0.866 126 N CB -0.467 37.992 38.487 -0.047 0.000 0.980 126 N HN 0.388 nan 8.380 nan 0.000 0.430 127 R N 0.937 121.461 120.500 0.040 0.000 2.075 127 R HA 0.065 4.405 4.340 -0.000 0.000 0.232 127 R C 2.036 178.389 176.300 0.089 0.000 1.126 127 R CA 0.834 56.971 56.100 0.062 0.000 0.963 127 R CB -0.176 30.160 30.300 0.061 0.000 0.858 127 R HN 0.126 nan 8.270 nan 0.000 0.435 128 I N 0.868 121.527 120.570 0.147 0.000 2.286 128 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 128 I C 2.241 178.484 176.117 0.211 0.000 1.104 128 I CA 1.284 62.732 61.300 0.247 0.000 1.397 128 I CB -0.164 38.032 38.000 0.326 0.000 1.072 128 I HN 0.180 nan 8.210 nan 0.000 0.417 129 K N -0.075 120.417 120.400 0.153 0.000 2.032 129 K HA -0.214 4.106 4.320 -0.000 0.000 0.209 129 K C 2.021 178.718 176.600 0.162 0.000 1.048 129 K CA 1.588 57.957 56.287 0.136 0.000 0.927 129 K CB -0.314 32.218 32.500 0.054 0.000 0.712 129 K HN 0.478 nan 8.250 nan 0.000 0.441 130 H N -1.178 117.916 119.070 0.040 0.000 2.495 130 H HA 0.016 4.572 4.556 -0.000 0.000 0.287 130 H C 1.739 177.026 175.328 -0.069 0.000 1.033 130 H CA 0.429 56.476 56.048 -0.002 0.000 1.307 130 H CB 0.352 30.113 29.762 -0.002 0.000 1.401 130 H HN 0.266 nan 8.280 nan 0.000 0.555 131 A N -0.308 122.492 122.820 -0.032 0.000 1.993 131 A HA 0.022 4.342 4.320 -0.000 0.000 0.207 131 A C 0.979 178.285 177.584 -0.464 0.000 1.224 131 A CA 0.415 52.243 52.037 -0.348 0.000 0.749 131 A CB 0.151 18.776 19.000 -0.624 0.000 0.884 131 A HN 0.296 nan 8.150 nan 0.000 0.467 132 Y N -1.202 119.172 120.300 0.123 0.000 2.452 132 Y HA 0.459 5.009 4.550 -0.000 0.000 0.262 132 Y C 1.206 177.183 175.900 0.128 0.000 1.089 132 Y CA -0.175 57.995 58.100 0.117 0.000 1.262 132 Y CB 0.352 38.889 38.460 0.129 0.000 1.236 132 Y HN 0.505 nan 8.280 nan 0.000 0.512 133 G N 0.452 109.408 108.800 0.261 0.000 2.619 133 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.686 133 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.686 133 G C -2.396 172.646 174.900 0.236 0.000 1.256 133 G CA -0.715 44.517 45.100 0.221 0.000 0.826 133 G HN -0.097 nan 8.290 nan 0.000 0.619 134 P HA -0.117 nan 4.420 nan 0.000 0.217 134 P C 2.229 179.662 177.300 0.222 0.000 1.148 134 P CA 2.480 65.701 63.100 0.200 0.000 0.828 134 P CB -0.016 31.782 31.700 0.163 0.000 0.783 135 S N -0.503 115.340 115.700 0.240 0.000 2.419 135 S HA -0.118 4.351 4.470 -0.000 0.000 0.233 135 S C 2.008 176.740 174.600 0.219 0.000 1.016 135 S CA 1.065 59.391 58.200 0.211 0.000 0.974 135 S CB -1.371 62.020 63.200 0.318 0.000 0.786 135 S HN 0.137 nan 8.310 nan 0.000 0.492 136 A N 1.062 124.030 122.820 0.247 0.000 2.172 136 A HA 0.316 4.636 4.320 -0.000 0.000 0.216 136 A C 0.996 178.722 177.584 0.238 0.000 1.154 136 A CA 0.356 52.530 52.037 0.228 0.000 0.701 136 A CB -0.626 18.537 19.000 0.272 0.000 0.789 136 A HN 0.639 nan 8.150 nan 0.000 0.465 137 I N 1.249 121.982 120.570 0.271 0.000 2.287 137 I HA 0.214 4.384 4.170 -0.000 0.000 0.290 137 I C -0.312 176.015 176.117 0.350 0.000 1.069 137 I CA -0.626 60.871 61.300 0.329 0.000 1.237 137 I CB 0.918 39.138 38.000 0.367 0.000 1.418 137 I HN 0.161 nan 8.210 nan 0.000 0.481 138 L N 6.163 127.557 121.223 0.284 0.000 2.417 138 L HA 0.551 4.891 4.340 -0.000 0.000 0.268 138 L C 0.069 177.221 176.870 0.470 0.000 1.158 138 L CA 0.794 55.757 54.840 0.205 0.000 0.819 138 L CB 1.381 43.327 42.059 -0.187 0.000 1.112 138 L HN 0.606 nan 8.230 nan 0.000 0.458 139 S N 2.287 118.308 115.700 0.535 0.000 2.552 139 S HA 0.749 5.219 4.470 -0.000 0.000 0.272 139 S C -1.115 173.902 174.600 0.694 0.000 1.150 139 S CA -0.078 58.554 58.200 0.720 0.000 0.849 139 S CB 1.291 64.829 63.200 0.564 0.000 1.113 139 S HN 1.065 nan 8.310 nan 0.000 0.458 140 T N 3.681 118.627 114.554 0.652 0.000 3.343 140 T HA 0.507 4.857 4.350 -0.000 0.000 0.383 140 T C -2.908 171.942 174.700 0.250 0.000 1.615 140 T CA -0.710 61.646 62.100 0.427 0.000 1.153 140 T CB 1.594 70.644 68.868 0.303 0.000 1.434 140 T HN 0.434 nan 8.240 nan 0.000 0.476 141 P HA 0.650 nan 4.420 nan 0.000 0.301 141 P C -0.300 177.040 177.300 0.066 0.000 1.369 141 P CA -0.042 63.019 63.100 -0.066 0.000 0.836 141 P CB 0.786 32.125 31.700 -0.602 0.000 2.095 142 S N -2.811 112.909 115.700 0.035 0.000 2.661 142 S HA 0.259 4.729 4.470 -0.000 0.000 0.268 142 S C 1.109 175.643 174.600 -0.110 0.000 1.162 142 S CA -0.298 57.831 58.200 -0.117 0.000 0.817 142 S CB 0.528 63.695 63.200 -0.055 0.000 1.141 142 S HN 0.172 nan 8.310 nan 0.000 0.477 143 S N 1.108 116.675 115.700 -0.223 0.000 2.359 143 S HA -0.076 4.393 4.470 -0.000 0.000 0.223 143 S C 0.609 175.134 174.600 -0.125 0.000 1.039 143 S CA 1.363 59.506 58.200 -0.095 0.000 1.042 143 S CB -0.389 62.737 63.200 -0.123 0.000 0.915 143 S HN 0.593 nan 8.310 nan 0.000 0.439 144 H N -0.386 118.795 119.070 0.185 0.000 2.559 144 H HA 0.557 5.113 4.556 -0.000 0.000 0.343 144 H C -0.104 175.339 175.328 0.191 0.000 1.209 144 H CA -0.224 55.992 56.048 0.280 0.000 1.287 144 H CB 1.186 31.138 29.762 0.318 0.000 1.650 144 H HN 0.271 nan 8.280 nan 0.000 0.567 145 H N 0.550 119.695 119.070 0.124 0.000 3.003 145 H HA 0.084 4.640 4.556 -0.000 0.000 0.327 145 H C -0.642 174.681 175.328 -0.008 0.000 1.353 145 H CA -0.673 55.291 56.048 -0.141 0.000 1.142 145 H CB 1.612 30.899 29.762 -0.792 0.000 1.864 145 H HN 0.381 nan 8.280 nan 0.000 0.529 146 M N 1.826 121.335 119.600 -0.152 0.000 2.251 146 M HA -0.110 4.370 4.480 -0.000 0.000 0.343 146 M C 0.686 177.187 176.300 0.335 0.000 1.245 146 M CA 0.500 55.876 55.300 0.127 0.000 1.061 146 M CB -0.392 32.231 32.600 0.039 0.000 1.723 146 M HN 0.403 nan 8.290 nan 0.000 0.449 147 W N 2.882 124.255 121.300 0.121 0.000 2.257 147 W HA 0.311 4.970 4.660 -0.000 0.000 0.337 147 W C 0.233 176.858 176.519 0.176 0.000 1.321 147 W CA 0.636 58.075 57.345 0.157 0.000 1.267 147 W CB 0.819 30.322 29.460 0.070 0.000 1.187 147 W HN 0.769 nan 8.180 nan 0.000 0.565 148 G N 4.003 112.737 108.800 -0.109 0.000 2.163 148 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.191 148 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.191 148 G C -0.104 174.762 174.900 -0.056 0.000 1.517 148 G CA -0.722 44.348 45.100 -0.049 0.000 1.024 148 G HN 0.508 nan 8.290 nan 0.000 0.664 149 N N 0.421 119.008 118.700 -0.187 0.000 2.069 149 N HA -0.116 4.623 4.740 -0.000 0.000 0.191 149 N C 2.539 177.954 175.510 -0.159 0.000 1.031 149 N CA 1.736 54.654 53.050 -0.221 0.000 0.852 149 N CB 0.002 38.247 38.487 -0.402 0.000 1.018 149 N HN 0.445 nan 8.380 nan 0.000 0.423 150 V N -0.336 119.456 119.914 -0.202 0.000 2.548 150 V HA -0.011 4.109 4.120 -0.000 0.000 0.249 150 V C 2.075 178.176 176.094 0.011 0.000 1.055 150 V CA 1.799 64.029 62.300 -0.117 0.000 1.065 150 V CB -0.850 30.899 31.823 -0.122 0.000 0.681 150 V HN 0.395 nan 8.190 nan 0.000 0.462 151 G N -2.296 106.550 108.800 0.078 0.000 2.880 151 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.209 151 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.209 151 G C 0.436 175.412 174.900 0.127 0.000 1.157 151 G CA -0.232 44.974 45.100 0.176 0.000 0.779 151 G HN 0.443 nan 8.290 nan 0.000 0.539 152 Y N 1.717 121.945 120.300 -0.120 0.000 2.550 152 Y HA 0.053 4.603 4.550 -0.000 0.000 0.343 152 Y C 2.430 178.064 175.900 -0.444 0.000 1.245 152 Y CA 0.051 57.895 58.100 -0.427 0.000 1.462 152 Y CB 0.788 39.101 38.460 -0.246 0.000 1.340 152 Y HN 0.224 nan 8.280 nan 0.000 0.604 153 R N 1.860 121.911 120.500 -0.748 0.000 2.117 153 R HA -0.232 4.108 4.340 -0.000 0.000 0.243 153 R C 1.186 177.241 176.300 -0.409 0.000 1.143 153 R CA 2.261 58.001 56.100 -0.600 0.000 0.968 153 R CB -0.792 29.042 30.300 -0.778 0.000 0.863 153 R HN 0.775 nan 8.270 nan 0.000 0.444 154 H N -0.082 118.966 119.070 -0.037 0.000 2.491 154 H HA 0.018 4.574 4.556 -0.000 0.000 0.290 154 H C 1.764 177.226 175.328 0.222 0.000 1.050 154 H CA 1.345 57.456 56.048 0.104 0.000 1.309 154 H CB 0.305 30.226 29.762 0.266 0.000 1.392 154 H HN 0.386 nan 8.280 nan 0.000 0.554 155 S N -0.355 115.497 115.700 0.254 0.000 2.500 155 S HA -0.046 4.423 4.470 -0.000 0.000 0.174 155 S C 2.156 176.851 174.600 0.158 0.000 0.857 155 S CA 0.731 59.054 58.200 0.204 0.000 0.905 155 S CB -0.258 63.031 63.200 0.148 0.000 0.819 155 S HN 0.252 nan 8.310 nan 0.000 0.557 156 T N 1.346 115.994 114.554 0.157 0.000 2.580 156 T HA -0.162 4.188 4.350 -0.000 0.000 0.265 156 T C 1.578 176.401 174.700 0.205 0.000 1.063 156 T CA 2.184 64.446 62.100 0.269 0.000 1.170 156 T CB -0.926 68.187 68.868 0.409 0.000 0.863 156 T HN 0.539 nan 8.240 nan 0.000 0.418 157 Y N 0.881 121.152 120.300 -0.048 0.000 2.069 157 Y HA -0.233 4.316 4.550 -0.000 0.000 0.278 157 Y C 2.062 177.781 175.900 -0.302 0.000 1.175 157 Y CA 1.439 59.345 58.100 -0.322 0.000 1.134 157 Y CB -0.730 37.374 38.460 -0.593 0.000 0.965 157 Y HN 0.304 nan 8.280 nan 0.000 0.498 158 F N -0.183 119.683 119.950 -0.139 0.000 2.146 158 F HA -0.200 4.327 4.527 -0.000 0.000 0.298 158 F C 2.805 178.472 175.800 -0.222 0.000 1.096 158 F CA 1.034 58.892 58.000 -0.238 0.000 1.275 158 F CB -0.293 38.670 39.000 -0.062 0.000 1.008 158 F HN -0.019 nan 8.300 nan 0.000 0.480 159 R N 0.002 120.575 120.500 0.122 0.000 2.105 159 R HA -0.232 4.108 4.340 -0.000 0.000 0.239 159 R C 2.153 178.515 176.300 0.104 0.000 1.135 159 R CA 1.725 57.903 56.100 0.131 0.000 0.967 159 R CB -0.459 29.958 30.300 0.194 0.000 0.861 159 R HN 0.327 nan 8.270 nan 0.000 0.442 160 F N 0.298 120.121 119.950 -0.213 0.000 2.147 160 F HA -0.050 4.476 4.527 -0.000 0.000 0.291 160 F C 2.005 177.405 175.800 -0.667 0.000 1.093 160 F CA 0.974 58.621 58.000 -0.589 0.000 1.263 160 F CB -0.076 38.176 39.000 -1.247 0.000 1.036 160 F HN -0.088 nan 8.300 nan 0.000 0.481 161 M N 0.674 119.698 119.600 -0.959 0.000 2.202 161 M HA -0.222 4.258 4.480 -0.000 0.000 0.262 161 M C 1.649 177.527 176.300 -0.702 0.000 1.063 161 M CA 1.461 56.042 55.300 -1.198 0.000 1.097 161 M CB -1.829 29.668 32.600 -1.839 0.000 1.382 161 M HN 0.355 nan 8.290 nan 0.000 0.413 162 N N -0.221 118.256 118.700 -0.373 0.000 2.381 162 N HA -0.054 4.686 4.740 -0.000 0.000 0.182 162 N C 1.387 176.791 175.510 -0.176 0.000 1.025 162 N CA 0.767 53.740 53.050 -0.128 0.000 0.888 162 N CB -0.016 38.403 38.487 -0.113 0.000 0.965 162 N HN 0.377 nan 8.380 nan 0.000 0.438 163 M N -0.574 118.832 119.600 -0.323 0.000 2.428 163 M HA 0.141 4.621 4.480 -0.000 0.000 0.239 163 M C 1.580 177.674 176.300 -0.344 0.000 1.121 163 M CA 0.267 55.404 55.300 -0.272 0.000 1.019 163 M CB 0.451 32.907 32.600 -0.239 0.000 1.485 163 M HN 0.209 nan 8.290 nan 0.000 0.484 164 M N -0.342 118.969 119.600 -0.482 0.000 2.969 164 M HA 0.281 4.761 4.480 -0.000 0.000 0.234 164 M C 1.197 177.428 176.300 -0.115 0.000 1.409 164 M CA 1.235 56.297 55.300 -0.398 0.000 1.314 164 M CB -0.258 31.898 32.600 -0.741 0.000 1.130 164 M HN 0.191 nan 8.290 nan 0.000 0.558 165 G N -0.461 108.331 108.800 -0.014 0.000 3.410 165 G HA2 0.553 4.513 3.960 -0.000 0.000 0.189 165 G HA3 0.553 4.513 3.960 -0.000 0.000 0.189 165 G C -0.777 174.310 174.900 0.311 0.000 1.404 165 G CA -0.001 45.238 45.100 0.231 0.000 0.898 165 G HN 0.546 nan 8.290 nan 0.000 0.650 166 F N -3.249 116.691 119.950 -0.017 0.000 2.878 166 F HA 0.567 5.093 4.527 -0.000 0.000 0.322 166 F C -1.233 174.606 175.800 0.064 0.000 1.154 166 F CA -1.171 56.853 58.000 0.041 0.000 0.896 166 F CB 1.118 40.129 39.000 0.017 0.000 1.313 166 F HN 0.394 nan 8.300 nan 0.000 0.451 167 T N 1.988 116.535 114.554 -0.012 0.000 2.749 167 T HA 0.321 4.671 4.350 -0.000 0.000 0.287 167 T C -1.525 173.157 174.700 -0.030 0.000 0.970 167 T CA -0.198 61.824 62.100 -0.130 0.000 0.980 167 T CB 0.420 69.298 68.868 0.017 0.000 0.924 167 T HN 0.548 nan 8.240 nan 0.000 0.456 168 Y N 2.697 122.793 120.300 -0.340 0.000 2.310 168 Y HA 0.539 5.089 4.550 -0.000 0.000 0.326 168 Y C -0.021 175.901 175.900 0.037 0.000 1.151 168 Y CA -1.786 56.289 58.100 -0.042 0.000 1.195 168 Y CB 0.806 39.199 38.460 -0.112 0.000 1.210 168 Y HN 0.667 nan 8.280 nan 0.000 0.483 169 A N 5.781 128.412 122.820 -0.315 0.000 2.621 169 A HA 0.230 4.550 4.320 -0.000 0.000 0.329 169 A C -0.438 176.783 177.584 -0.606 0.000 1.458 169 A CA -0.655 51.190 52.037 -0.320 0.000 1.052 169 A CB -0.569 18.310 19.000 -0.200 0.000 1.142 169 A HN 0.748 nan 8.150 nan 0.000 0.523 170 D N 1.472 121.665 120.400 -0.345 0.000 2.399 170 D HA 0.088 4.728 4.640 -0.000 0.000 0.241 170 D C -0.068 176.194 176.300 -0.064 0.000 1.133 170 D CA 0.466 54.297 54.000 -0.281 0.000 0.890 170 D CB 0.457 41.299 40.800 0.071 0.000 1.201 170 D HN 0.547 nan 8.370 nan 0.000 0.432 171 H N 2.124 121.158 119.070 -0.061 0.000 2.610 171 H HA 0.132 4.688 4.556 -0.000 0.000 0.336 171 H C 0.488 176.007 175.328 0.317 0.000 1.087 171 H CA -0.511 55.578 56.048 0.069 0.000 1.405 171 H CB 0.318 30.116 29.762 0.061 0.000 1.460 171 H HN 0.375 nan 8.280 nan 0.000 0.538 172 N N 3.973 122.925 118.700 0.421 0.000 2.508 172 N HA 0.028 4.768 4.740 -0.000 0.000 0.264 172 N C -2.464 173.306 175.510 0.434 0.000 1.216 172 N CA -1.523 51.772 53.050 0.408 0.000 0.943 172 N CB 0.826 39.510 38.487 0.327 0.000 1.113 172 N HN 0.316 nan 8.380 nan 0.000 0.447 173 P HA 0.014 nan 4.420 nan 0.000 0.232 173 P C -0.076 177.301 177.300 0.128 0.000 1.738 173 P CA -0.177 62.711 63.100 -0.354 0.000 0.948 173 P CB -0.310 30.805 31.700 -0.974 0.000 1.943 174 D N 0.274 120.789 120.400 0.191 0.000 2.160 174 D HA -0.244 4.396 4.640 -0.000 0.000 0.189 174 D C 1.435 177.721 176.300 -0.023 0.000 1.003 174 D CA 1.797 55.862 54.000 0.107 0.000 0.846 174 D CB -1.404 39.427 40.800 0.051 0.000 0.949 174 D HN 0.131 nan 8.370 nan 0.000 0.446 175 S N -1.154 114.372 115.700 -0.290 0.000 2.419 175 S HA -0.078 4.392 4.470 -0.000 0.000 0.233 175 S C 1.364 175.549 174.600 -0.691 0.000 1.016 175 S CA 0.946 58.596 58.200 -0.916 0.000 0.974 175 S CB -0.353 61.663 63.200 -1.974 0.000 0.786 175 S HN 0.470 nan 8.310 nan 0.000 0.492 176 W N 1.070 122.363 121.300 -0.011 0.000 2.993 176 W HA 0.224 4.884 4.660 -0.000 0.000 0.290 176 W C 1.274 177.993 176.519 0.333 0.000 1.203 176 W CA -0.484 57.040 57.345 0.298 0.000 1.582 176 W CB -0.311 29.264 29.460 0.190 0.000 1.033 176 W HN 0.197 nan 8.180 nan 0.000 0.594 177 E N 0.747 121.214 120.200 0.445 0.000 2.813 177 E HA -0.323 4.027 4.350 -0.000 0.000 0.233 177 E C 2.065 178.973 176.600 0.514 0.000 0.922 177 E CA 2.550 59.242 56.400 0.488 0.000 1.351 177 E CB -1.528 28.385 29.700 0.354 0.000 1.349 177 E HN 0.313 nan 8.360 nan 0.000 0.485 178 G N -0.045 108.947 108.800 0.321 0.000 2.513 178 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.219 178 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.219 178 G C 1.459 176.389 174.900 0.050 0.000 1.160 178 G CA 1.357 46.528 45.100 0.118 0.000 0.767 178 G HN 0.368 nan 8.290 nan 0.000 0.571 179 W N -0.447 120.991 121.300 0.229 0.000 2.402 179 W HA 0.073 4.732 4.660 -0.000 0.000 0.286 179 W C 2.399 178.990 176.519 0.121 0.000 1.221 179 W CA 0.809 58.247 57.345 0.155 0.000 1.257 179 W CB -0.433 29.173 29.460 0.243 0.000 1.120 179 W HN 0.300 nan 8.180 nan 0.000 0.551 180 H N -1.369 117.843 119.070 0.236 0.000 2.317 180 H HA -0.128 4.428 4.556 -0.000 0.000 0.304 180 H C 1.123 176.328 175.328 -0.205 0.000 1.067 180 H CA 1.877 57.858 56.048 -0.113 0.000 1.352 180 H CB -0.722 28.845 29.762 -0.326 0.000 1.398 180 H HN 0.217 nan 8.280 nan 0.000 0.510 181 W N 0.310 121.777 121.300 0.278 0.000 3.139 181 W HA 0.248 4.908 4.660 -0.000 0.000 0.260 181 W C 2.096 178.744 176.519 0.216 0.000 1.312 181 W CA 0.461 57.942 57.345 0.227 0.000 1.606 181 W CB 0.317 29.945 29.460 0.281 0.000 1.118 181 W HN 0.280 nan 8.180 nan 0.000 0.675 182 G N -0.741 108.236 108.800 0.296 0.000 2.561 182 G HA2 0.124 4.084 3.960 -0.000 0.000 0.197 182 G HA3 0.124 4.084 3.960 -0.000 0.000 0.197 182 G C 1.591 176.519 174.900 0.046 0.000 1.250 182 G CA 0.345 45.563 45.100 0.197 0.000 0.703 182 G HN 0.135 nan 8.290 nan 0.000 0.625 183 G N 1.036 109.777 108.800 -0.098 0.000 2.475 183 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.220 183 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.220 183 G C 1.771 176.675 174.900 0.007 0.000 1.125 183 G CA 1.331 46.316 45.100 -0.191 0.000 0.755 183 G HN 0.356 nan 8.290 nan 0.000 0.565 184 M N -0.065 119.539 119.600 0.007 0.000 2.106 184 M HA -0.152 4.328 4.480 -0.000 0.000 0.259 184 M C 2.351 178.566 176.300 -0.142 0.000 1.068 184 M CA 1.521 56.764 55.300 -0.096 0.000 1.100 184 M CB -0.275 32.075 32.600 -0.416 0.000 1.351 184 M HN 0.327 nan 8.290 nan 0.000 0.404 185 H N -1.122 117.948 119.070 0.001 0.000 2.491 185 H HA -0.113 4.443 4.556 -0.000 0.000 0.290 185 H C 1.913 177.248 175.328 0.012 0.000 1.050 185 H CA 1.657 57.706 56.048 0.001 0.000 1.309 185 H CB -0.364 29.399 29.762 0.002 0.000 1.392 185 H HN 0.539 nan 8.280 nan 0.000 0.554 186 M N -0.025 119.614 119.600 0.065 0.000 2.357 186 M HA -0.053 4.427 4.480 -0.000 0.000 0.266 186 M C 0.896 177.247 176.300 0.084 0.000 1.095 186 M CA 1.041 56.321 55.300 -0.034 0.000 1.156 186 M CB 0.448 32.874 32.600 -0.291 0.000 1.365 186 M HN 0.313 nan 8.290 nan 0.000 0.447 187 W N -0.476 120.765 121.300 -0.097 0.000 1.780 187 W HA 0.603 5.263 4.660 -0.000 0.000 0.256 187 W C 0.199 176.620 176.519 -0.162 0.000 0.844 187 W CA -0.213 57.066 57.345 -0.110 0.000 1.227 187 W CB -1.150 28.270 29.460 -0.068 0.000 1.006 187 W HN 0.414 nan 8.180 nan 0.000 0.493 188 G N 2.026 110.886 108.800 0.099 0.000 2.509 188 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.256 188 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.256 188 G C 0.300 174.973 174.900 -0.378 0.000 1.152 188 G CA 0.586 45.569 45.100 -0.194 0.000 0.951 188 G HN 0.594 nan 8.290 nan 0.000 0.559 189 F N 0.522 119.904 119.950 -0.947 0.000 3.091 189 F HA -0.238 4.289 4.527 -0.000 0.000 0.288 189 F C 2.267 177.336 175.800 -1.219 0.000 0.907 189 F CA 1.631 58.609 58.000 -1.703 0.000 1.028 189 F CB -1.791 36.476 39.000 -1.221 0.000 1.022 189 F HN 1.333 nan 8.300 nan 0.000 0.665 190 S N -0.270 115.048 115.700 -0.636 0.000 2.400 190 S HA -0.253 4.217 4.470 -0.000 0.000 0.232 190 S C 1.618 176.099 174.600 -0.199 0.000 1.025 190 S CA 1.391 59.406 58.200 -0.308 0.000 0.993 190 S CB -0.842 62.268 63.200 -0.149 0.000 0.808 190 S HN 0.730 nan 8.310 nan 0.000 0.478 191 W N 1.366 122.649 121.300 -0.029 0.000 2.525 191 W HA 0.271 4.930 4.660 -0.000 0.000 0.259 191 W C 1.736 178.246 176.519 -0.014 0.000 1.253 191 W CA 0.196 57.549 57.345 0.012 0.000 1.262 191 W CB -0.264 29.233 29.460 0.061 0.000 1.122 191 W HN 0.096 nan 8.180 nan 0.000 0.607 192 R N 0.874 121.077 120.500 -0.496 0.000 2.586 192 R HA 0.269 4.609 4.340 -0.000 0.000 0.336 192 R C 0.486 176.563 176.300 -0.372 0.000 1.060 192 R CA -0.287 55.602 56.100 -0.352 0.000 1.079 192 R CB -0.270 29.744 30.300 -0.476 0.000 1.317 192 R HN 0.175 nan 8.270 nan 0.000 0.568 193 L N 0.406 121.367 121.223 -0.436 0.000 3.742 193 L HA -0.349 3.991 4.340 -0.000 0.000 0.431 193 L C 0.901 177.658 176.870 -0.189 0.000 1.220 193 L CA 0.895 55.440 54.840 -0.492 0.000 0.863 193 L CB -1.679 39.671 42.059 -1.181 0.000 1.751 193 L HN 0.709 nan 8.230 nan 0.000 0.922 194 G N -2.442 106.293 108.800 -0.109 0.000 2.279 194 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.223 194 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.223 194 G C 0.340 175.390 174.900 0.249 0.000 1.015 194 G CA 0.164 45.397 45.100 0.221 0.000 0.621 194 G HN 0.385 nan 8.290 nan 0.000 0.506 195 N N 2.607 121.244 118.700 -0.105 0.000 2.444 195 N HA 0.451 5.191 4.740 -0.000 0.000 0.255 195 N C -2.173 172.811 175.510 -0.877 0.000 1.255 195 N CA -0.703 52.051 53.050 -0.493 0.000 0.933 195 N CB 1.124 39.295 38.487 -0.527 0.000 1.143 195 N HN 0.312 nan 8.380 nan 0.000 0.453 196 P HA 0.157 nan 4.420 nan 0.000 0.281 196 P C -0.517 176.165 177.300 -1.030 0.000 1.264 196 P CA -0.420 61.797 63.100 -1.472 0.000 0.824 196 P CB 1.146 32.392 31.700 -0.756 0.000 1.092 197 E N 0.448 120.101 120.200 -0.912 0.000 2.392 197 E HA -0.002 4.348 4.350 -0.000 0.000 0.259 197 E C 0.188 176.598 176.600 -0.317 0.000 1.108 197 E CA -0.042 56.152 56.400 -0.344 0.000 0.916 197 E CB 0.340 30.136 29.700 0.160 0.000 0.989 197 E HN 0.277 nan 8.360 nan 0.000 0.432 198 Q N 2.054 121.615 119.800 -0.399 0.000 2.036 198 Q HA 0.051 4.391 4.340 -0.000 0.000 0.208 198 Q C -0.947 174.893 176.000 -0.266 0.000 0.770 198 Q CA -0.199 55.430 55.803 -0.289 0.000 0.992 198 Q CB 0.355 28.926 28.738 -0.279 0.000 1.209 198 Q HN 0.558 nan 8.270 nan 0.000 0.445 199 Y N 2.251 122.450 120.300 -0.167 0.000 2.903 199 Y HA -0.161 4.389 4.550 -0.000 0.000 0.338 199 Y C 1.122 176.992 175.900 -0.050 0.000 1.265 199 Y CA 0.701 58.688 58.100 -0.188 0.000 1.532 199 Y CB 0.217 38.503 38.460 -0.289 0.000 1.293 199 Y HN 0.144 nan 8.280 nan 0.000 0.609 200 D N 1.082 121.619 120.400 0.230 0.000 2.931 200 D HA -0.260 4.380 4.640 -0.000 0.000 0.228 200 D C 0.895 177.126 176.300 -0.116 0.000 1.180 200 D CA 0.939 54.999 54.000 0.101 0.000 0.784 200 D CB -0.826 40.067 40.800 0.155 0.000 1.093 200 D HN 0.631 nan 8.370 nan 0.000 0.421 201 L N -0.474 120.581 121.223 -0.281 0.000 2.313 201 L HA -0.090 4.250 4.340 -0.000 0.000 0.214 201 L C 2.444 178.709 176.870 -1.009 0.000 1.119 201 L CA 0.178 54.600 54.840 -0.698 0.000 0.809 201 L CB -0.136 41.275 42.059 -1.080 0.000 0.933 201 L HN 0.136 nan 8.230 nan 0.000 0.449 202 L N 0.393 121.281 121.223 -0.558 0.000 2.017 202 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 202 L C 2.403 179.094 176.870 -0.299 0.000 1.073 202 L CA 1.935 56.577 54.840 -0.330 0.000 0.745 202 L CB -0.581 41.443 42.059 -0.060 0.000 0.894 202 L HN 0.290 nan 8.230 nan 0.000 0.432 203 E N -1.023 119.034 120.200 -0.238 0.000 2.106 203 E HA -0.279 4.071 4.350 -0.000 0.000 0.192 203 E C 1.840 178.336 176.600 -0.173 0.000 0.984 203 E CA 1.310 57.619 56.400 -0.152 0.000 0.806 203 E CB -0.091 29.553 29.700 -0.092 0.000 0.750 203 E HN 0.664 nan 8.360 nan 0.000 0.458 204 D N -0.656 119.620 120.400 -0.207 0.000 2.092 204 D HA -0.125 4.515 4.640 -0.000 0.000 0.193 204 D C 1.891 178.118 176.300 -0.122 0.000 0.994 204 D CA 1.856 55.807 54.000 -0.083 0.000 0.828 204 D CB -0.499 40.253 40.800 -0.080 0.000 0.963 204 D HN 0.269 nan 8.370 nan 0.000 0.450 205 G N 0.223 108.734 108.800 -0.481 0.000 2.421 205 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.216 205 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.216 205 G C 1.745 176.573 174.900 -0.119 0.000 1.171 205 G CA 0.595 45.415 45.100 -0.467 0.000 0.775 205 G HN 0.342 nan 8.290 nan 0.000 0.543 206 L N -0.222 120.920 121.223 -0.134 0.000 2.187 206 L HA -0.080 4.259 4.340 -0.000 0.000 0.213 206 L C 2.853 179.655 176.870 -0.113 0.000 1.100 206 L CA 1.241 56.007 54.840 -0.124 0.000 0.765 206 L CB -0.196 41.728 42.059 -0.224 0.000 0.904 206 L HN 0.220 nan 8.230 nan 0.000 0.437 207 K N -1.659 118.624 120.400 -0.195 0.000 2.211 207 K HA 0.025 4.345 4.320 -0.000 0.000 0.201 207 K C 1.449 177.759 176.600 -0.483 0.000 1.052 207 K CA 0.607 56.668 56.287 -0.376 0.000 0.973 207 K CB 0.262 32.398 32.500 -0.607 0.000 0.766 207 K HN 0.386 nan 8.250 nan 0.000 0.466 208 H N -1.139 117.995 119.070 0.107 0.000 3.241 208 H HA 0.278 4.834 4.556 -0.000 0.000 0.260 208 H C 0.196 175.668 175.328 0.240 0.000 1.084 208 H CA -0.200 55.941 56.048 0.154 0.000 1.203 208 H CB 0.408 30.258 29.762 0.148 0.000 1.524 208 H HN 0.017 nan 8.280 nan 0.000 0.521 209 A N 1.524 124.580 122.820 0.393 0.000 2.540 209 A HA 0.090 4.410 4.320 -0.000 0.000 0.239 209 A C 0.758 178.511 177.584 0.282 0.000 1.061 209 A CA 0.388 52.698 52.037 0.456 0.000 0.758 209 A CB 0.415 19.616 19.000 0.334 0.000 0.991 209 A HN 0.463 nan 8.150 nan 0.000 0.502 210 E N 0.374 120.725 120.200 0.251 0.000 2.568 210 E HA 0.266 4.616 4.350 -0.000 0.000 0.220 210 E C -0.239 176.452 176.600 0.153 0.000 0.869 210 E CA 0.159 56.659 56.400 0.167 0.000 1.268 210 E CB 0.656 30.433 29.700 0.129 0.000 1.252 210 E HN 0.779 nan 8.360 nan 0.000 0.606 211 M N 1.145 120.851 119.600 0.175 0.000 2.449 211 M HA 0.373 4.853 4.480 -0.000 0.000 0.291 211 M C -2.284 174.066 176.300 0.083 0.000 1.148 211 M CA -0.350 55.027 55.300 0.128 0.000 0.925 211 M CB 1.948 34.569 32.600 0.035 0.000 1.767 211 M HN -0.122 nan 8.290 nan 0.000 0.503 212 I N 4.116 124.712 120.570 0.043 0.000 2.466 212 I HA 0.482 4.652 4.170 -0.000 0.000 0.289 212 I C -0.963 174.898 176.117 -0.428 0.000 1.026 212 I CA -1.067 60.078 61.300 -0.258 0.000 1.078 212 I CB 2.236 39.934 38.000 -0.504 0.000 1.249 212 I HN 0.387 nan 8.210 nan 0.000 0.429 213 V N 6.562 126.141 119.914 -0.559 0.000 2.318 213 V HA 0.294 4.413 4.120 -0.000 0.000 0.271 213 V C -0.461 175.358 176.094 -0.458 0.000 1.030 213 V CA -0.370 61.649 62.300 -0.468 0.000 0.844 213 V CB 0.571 32.065 31.823 -0.549 0.000 1.015 213 V HN 0.389 nan 8.190 nan 0.000 0.460 214 F N 4.534 124.213 119.950 -0.452 0.000 2.377 214 F HA 0.313 4.840 4.527 -0.000 0.000 0.360 214 F C 0.168 175.934 175.800 -0.057 0.000 1.147 214 F CA -0.217 57.532 58.000 -0.418 0.000 1.170 214 F CB 0.543 38.868 39.000 -1.125 0.000 1.339 214 F HN 0.499 nan 8.300 nan 0.000 0.552 215 W N 3.768 125.154 121.300 0.144 0.000 2.349 215 W HA 0.256 4.915 4.660 -0.000 0.000 0.309 215 W C 0.743 177.481 176.519 0.365 0.000 1.083 215 W CA -1.092 56.439 57.345 0.310 0.000 1.224 215 W CB 1.434 31.156 29.460 0.437 0.000 1.256 215 W HN 0.492 nan 8.180 nan 0.000 0.461 216 S N 3.697 119.758 115.700 0.601 0.000 3.559 216 S HA -0.235 4.235 4.470 -0.000 0.000 0.369 216 S C -0.305 174.480 174.600 0.308 0.000 0.987 216 S CA 1.421 59.820 58.200 0.332 0.000 1.187 216 S CB -1.170 62.042 63.200 0.020 0.000 0.914 216 S HN 0.589 nan 8.310 nan 0.000 0.480 217 S N 0.817 116.719 115.700 0.336 0.000 2.614 217 S HA 0.563 5.032 4.470 -0.000 0.000 0.288 217 S C -1.377 173.379 174.600 0.260 0.000 1.137 217 S CA -0.502 57.871 58.200 0.288 0.000 0.992 217 S CB 1.778 65.180 63.200 0.337 0.000 1.026 217 S HN 0.398 nan 8.310 nan 0.000 0.486 218 D N 5.254 125.746 120.400 0.154 0.000 2.502 218 D HA 0.417 5.057 4.640 -0.000 0.000 0.301 218 D C -1.894 174.422 176.300 0.028 0.000 1.202 218 D CA -2.074 51.980 54.000 0.091 0.000 0.878 218 D CB 1.377 42.225 40.800 0.079 0.000 1.062 218 D HN 0.226 nan 8.370 nan 0.000 0.499 219 P HA -0.184 nan 4.420 nan 0.000 0.215 219 P C 1.278 178.540 177.300 -0.064 0.000 1.163 219 P CA 1.149 64.223 63.100 -0.044 0.000 0.894 219 P CB 0.445 32.102 31.700 -0.071 0.000 0.791 220 E N -1.050 119.133 120.200 -0.028 0.000 2.085 220 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 220 E C 2.011 178.596 176.600 -0.025 0.000 0.994 220 E CA 1.511 57.946 56.400 0.058 0.000 0.801 220 E CB -1.290 28.483 29.700 0.121 0.000 0.743 220 E HN 0.297 nan 8.360 nan 0.000 0.453 221 T N 1.675 116.210 114.554 -0.032 0.000 2.732 221 T HA -0.026 4.324 4.350 -0.000 0.000 0.261 221 T C 1.615 176.219 174.700 -0.161 0.000 1.040 221 T CA 0.990 63.034 62.100 -0.094 0.000 1.145 221 T CB -0.071 68.793 68.868 -0.006 0.000 0.866 221 T HN 0.153 nan 8.240 nan 0.000 0.427 222 N N 1.064 119.693 118.700 -0.119 0.000 2.368 222 N HA -0.034 4.706 4.740 -0.000 0.000 0.176 222 N C 1.160 176.589 175.510 -0.135 0.000 1.021 222 N CA 1.110 54.089 53.050 -0.119 0.000 0.888 222 N CB 0.013 38.451 38.487 -0.082 0.000 0.995 222 N HN 0.505 nan 8.380 nan 0.000 0.437 223 S N -0.957 114.654 115.700 -0.149 0.000 3.445 223 S HA -0.221 4.249 4.470 -0.000 0.000 0.319 223 S C 1.117 175.646 174.600 -0.119 0.000 1.209 223 S CA 1.826 59.927 58.200 -0.165 0.000 0.934 223 S CB -2.113 60.940 63.200 -0.245 0.000 0.999 223 S HN 0.783 nan 8.310 nan 0.000 0.582 224 G N 1.079 109.835 108.800 -0.073 0.000 5.426 224 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.297 224 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.297 224 G C 0.091 175.018 174.900 0.046 0.000 1.422 224 G CA 0.218 45.287 45.100 -0.051 0.000 0.938 224 G HN 2.004 nan 8.290 nan 0.000 0.754 225 I N -2.041 118.496 120.570 -0.056 0.000 2.660 225 I HA 0.329 4.499 4.170 -0.000 0.000 0.290 225 I C 0.359 176.384 176.117 -0.154 0.000 1.735 225 I CA -0.136 61.054 61.300 -0.183 0.000 1.042 225 I CB 0.313 38.188 38.000 -0.208 0.000 1.565 225 I HN 1.163 nan 8.210 nan 0.000 0.479 226 Y N 3.411 123.731 120.300 0.033 0.000 4.798 226 Y HA -0.289 4.261 4.550 -0.000 0.000 0.237 226 Y C 0.817 176.678 175.900 -0.065 0.000 1.017 226 Y CA 0.656 58.721 58.100 -0.059 0.000 2.010 226 Y CB -1.666 36.719 38.460 -0.125 0.000 1.582 226 Y HN 0.684 nan 8.280 nan 0.000 0.621 227 A N 0.159 122.983 122.820 0.007 0.000 2.793 227 A HA 0.625 4.945 4.320 -0.000 0.000 0.301 227 A C 1.484 179.066 177.584 -0.004 0.000 1.172 227 A CA 0.668 52.637 52.037 -0.115 0.000 0.973 227 A CB -0.588 18.245 19.000 -0.279 0.000 1.164 227 A HN 1.131 nan 8.150 nan 0.000 0.542 228 G N 0.654 109.447 108.800 -0.012 0.000 2.700 228 G HA2 -0.357 3.602 3.960 -0.000 0.000 0.350 228 G HA3 -0.357 3.602 3.960 -0.000 0.000 0.350 228 G C 0.260 174.868 174.900 -0.486 0.000 1.250 228 G CA 1.533 46.518 45.100 -0.191 0.000 0.978 228 G HN 0.768 nan 8.290 nan 0.000 0.551 229 F N 1.561 121.514 119.950 0.006 0.000 2.850 229 F HA 0.385 4.912 4.527 -0.000 0.000 0.329 229 F C 1.689 177.476 175.800 -0.022 0.000 1.182 229 F CA -0.009 57.972 58.000 -0.031 0.000 1.270 229 F CB 0.977 39.944 39.000 -0.056 0.000 0.979 229 F HN 0.257 nan 8.300 nan 0.000 0.506 230 E N 0.290 120.553 120.200 0.105 0.000 2.130 230 E HA -0.208 4.142 4.350 -0.000 0.000 0.196 230 E C 2.128 178.743 176.600 0.026 0.000 0.998 230 E CA 1.812 58.264 56.400 0.088 0.000 0.806 230 E CB -0.154 29.581 29.700 0.059 0.000 0.738 230 E HN 0.420 nan 8.360 nan 0.000 0.459 231 S N 0.461 116.154 115.700 -0.013 0.000 2.575 231 S HA 0.012 4.482 4.470 -0.000 0.000 0.215 231 S C 1.440 175.986 174.600 -0.090 0.000 0.966 231 S CA 0.047 58.209 58.200 -0.063 0.000 0.911 231 S CB -0.070 63.078 63.200 -0.085 0.000 0.780 231 S HN 0.141 nan 8.310 nan 0.000 0.514 232 N N 2.203 120.882 118.700 -0.035 0.000 2.223 232 N HA -0.081 4.659 4.740 -0.000 0.000 0.185 232 N C 1.514 176.939 175.510 -0.141 0.000 1.016 232 N CA 1.347 54.371 53.050 -0.044 0.000 0.863 232 N CB -0.294 38.203 38.487 0.016 0.000 0.983 232 N HN 0.638 nan 8.380 nan 0.000 0.429 233 I N 0.527 120.949 120.570 -0.246 0.000 2.761 233 I HA -0.086 4.084 4.170 -0.000 0.000 0.261 233 I C 2.044 177.635 176.117 -0.877 0.000 1.198 233 I CA 0.300 61.316 61.300 -0.472 0.000 1.482 233 I CB 0.018 37.726 38.000 -0.487 0.000 1.100 233 I HN 0.105 nan 8.210 nan 0.000 0.445 234 R N 0.296 120.418 120.500 -0.630 0.000 2.073 234 R HA -0.065 4.275 4.340 -0.000 0.000 0.229 234 R C 2.250 178.481 176.300 -0.115 0.000 1.120 234 R CA 1.006 56.834 56.100 -0.453 0.000 0.967 234 R CB -0.325 29.879 30.300 -0.160 0.000 0.862 234 R HN 0.297 nan 8.270 nan 0.000 0.436 235 R N 0.462 120.917 120.500 -0.076 0.000 2.189 235 R HA -0.117 4.223 4.340 -0.000 0.000 0.218 235 R C 2.221 178.666 176.300 0.242 0.000 1.074 235 R CA 0.995 57.162 56.100 0.112 0.000 0.991 235 R CB -0.020 30.294 30.300 0.024 0.000 0.883 235 R HN 0.131 nan 8.270 nan 0.000 0.457 236 Q N -0.128 119.707 119.800 0.059 0.000 2.123 236 Q HA -0.143 4.196 4.340 -0.000 0.000 0.199 236 Q C 1.355 177.505 176.000 0.251 0.000 0.966 236 Q CA 1.387 57.250 55.803 0.099 0.000 0.845 236 Q CB -0.009 28.724 28.738 -0.008 0.000 0.907 236 Q HN 0.275 nan 8.270 nan 0.000 0.439 237 W N 0.280 121.665 121.300 0.142 0.000 2.381 237 W HA -0.022 4.638 4.660 -0.000 0.000 0.301 237 W C 1.839 178.399 176.519 0.069 0.000 1.205 237 W CA 0.582 58.000 57.345 0.121 0.000 1.285 237 W CB -0.915 28.508 29.460 -0.062 0.000 1.133 237 W HN 0.228 nan 8.180 nan 0.000 0.521 238 L N 0.227 121.655 121.223 0.343 0.000 2.056 238 L HA -0.183 4.157 4.340 -0.000 0.000 0.207 238 L C 2.547 179.528 176.870 0.185 0.000 1.078 238 L CA 1.524 56.544 54.840 0.299 0.000 0.749 238 L CB -0.966 41.374 42.059 0.469 0.000 0.901 238 L HN -0.099 nan 8.230 nan 0.000 0.433 239 K N 0.298 120.780 120.400 0.137 0.000 2.032 239 K HA -0.208 4.112 4.320 -0.000 0.000 0.209 239 K C 1.361 177.948 176.600 -0.022 0.000 1.048 239 K CA 1.861 58.061 56.287 -0.144 0.000 0.927 239 K CB -0.014 32.438 32.500 -0.079 0.000 0.712 239 K HN 0.236 nan 8.250 nan 0.000 0.441 240 D N 0.532 120.993 120.400 0.103 0.000 2.363 240 D HA -0.046 4.594 4.640 -0.000 0.000 0.226 240 D C 1.279 177.655 176.300 0.127 0.000 1.020 240 D CA 0.537 54.608 54.000 0.118 0.000 0.892 240 D CB 0.257 41.165 40.800 0.181 0.000 0.900 240 D HN 0.287 nan 8.370 nan 0.000 0.531 241 L N -0.808 120.492 121.223 0.127 0.000 2.607 241 L HA 0.191 4.530 4.340 -0.000 0.000 0.228 241 L C 1.345 178.261 176.870 0.076 0.000 1.123 241 L CA 0.209 55.124 54.840 0.125 0.000 0.890 241 L CB 0.357 42.501 42.059 0.142 0.000 1.103 241 L HN 0.098 nan 8.230 nan 0.000 0.468 242 G N 0.150 108.970 108.800 0.033 0.000 2.141 242 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.231 242 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.231 242 G C 0.175 175.067 174.900 -0.012 0.000 0.984 242 G CA -0.013 45.090 45.100 0.004 0.000 0.660 242 G HN 0.063 nan 8.290 nan 0.000 0.525 243 V N 1.361 121.261 119.914 -0.023 0.000 2.637 243 V HA 0.339 4.459 4.120 -0.000 0.000 0.296 243 V C 0.363 176.371 176.094 -0.144 0.000 1.046 243 V CA -0.395 61.917 62.300 0.021 0.000 1.066 243 V CB 1.296 33.241 31.823 0.203 0.000 0.968 243 V HN 0.268 nan 8.190 nan 0.000 0.483 244 D N 3.920 124.332 120.400 0.020 0.000 2.256 244 D HA 0.388 5.028 4.640 -0.000 0.000 0.250 244 D C -0.487 176.003 176.300 0.317 0.000 1.093 244 D CA 0.214 54.231 54.000 0.029 0.000 0.882 244 D CB 1.028 41.866 40.800 0.063 0.000 1.185 244 D HN 0.400 nan 8.370 nan 0.000 0.437 245 F N 1.390 121.412 119.950 0.120 0.000 2.375 245 F HA 0.325 4.852 4.527 -0.000 0.000 0.361 245 F C 0.064 175.950 175.800 0.144 0.000 1.117 245 F CA -1.081 57.030 58.000 0.184 0.000 1.037 245 F CB 1.513 40.704 39.000 0.317 0.000 1.192 245 F HN -0.144 nan 8.300 nan 0.000 0.452 246 V N 4.338 124.351 119.914 0.165 0.000 2.459 246 V HA 0.384 4.504 4.120 -0.000 0.000 0.295 246 V C -0.580 175.437 176.094 -0.128 0.000 1.029 246 V CA -0.760 61.545 62.300 0.008 0.000 0.874 246 V CB 1.819 33.534 31.823 -0.180 0.000 0.985 246 V HN 0.443 nan 8.190 nan 0.000 0.438 247 F N 4.464 124.417 119.950 0.004 0.000 2.482 247 F HA 0.645 5.172 4.527 -0.000 0.000 0.331 247 F C 0.112 175.907 175.800 -0.008 0.000 1.115 247 F CA -0.655 57.392 58.000 0.080 0.000 0.955 247 F CB 1.716 40.795 39.000 0.131 0.000 1.136 247 F HN 0.226 nan 8.300 nan 0.000 0.452 248 I N 3.524 124.150 120.570 0.093 0.000 2.495 248 I HA 0.297 4.466 4.170 -0.000 0.000 0.277 248 I C -1.294 174.904 176.117 0.136 0.000 1.045 248 I CA -0.258 61.003 61.300 -0.066 0.000 1.135 248 I CB 1.128 38.738 38.000 -0.651 0.000 1.241 248 I HN 0.449 nan 8.210 nan 0.000 0.469 249 D N 7.798 128.376 120.400 0.296 0.000 2.977 249 D HA 0.276 4.916 4.640 -0.000 0.000 0.220 249 D C -2.335 174.209 176.300 0.406 0.000 1.267 249 D CA -1.692 52.513 54.000 0.341 0.000 0.884 249 D CB 3.422 44.433 40.800 0.351 0.000 1.667 249 D HN 0.001 nan 8.370 nan 0.000 0.536 250 P HA -0.113 nan 4.420 nan 0.000 0.218 250 P C -0.062 177.506 177.300 0.447 0.000 1.146 250 P CA 1.155 64.417 63.100 0.270 0.000 0.813 250 P CB 0.004 31.822 31.700 0.197 0.000 0.778 251 H N -0.888 118.360 119.070 0.296 0.000 2.466 251 H HA 0.343 4.899 4.556 -0.000 0.000 0.338 251 H C -0.355 174.939 175.328 -0.056 0.000 1.091 251 H CA -1.149 54.960 56.048 0.103 0.000 1.207 251 H CB 0.792 30.462 29.762 -0.153 0.000 1.466 251 H HN -0.162 nan 8.280 nan 0.000 0.493 252 M N 6.232 125.232 119.600 -1.001 0.000 2.869 252 M HA -0.016 4.464 4.480 -0.000 0.000 0.299 252 M C -0.375 175.053 176.300 -1.453 0.000 1.508 252 M CA -0.388 53.903 55.300 -1.682 0.000 1.551 252 M CB -0.742 30.526 32.600 -2.220 0.000 1.384 252 M HN 0.657 nan 8.290 nan 0.000 0.491 253 N N 2.106 120.199 118.700 -1.012 0.000 2.260 253 N HA -0.076 4.664 4.740 -0.000 0.000 0.230 253 N C 0.573 175.635 175.510 -0.747 0.000 1.323 253 N CA 0.270 52.840 53.050 -0.800 0.000 0.897 253 N CB 0.246 38.558 38.487 -0.292 0.000 1.146 253 N HN 0.467 nan 8.380 nan 0.000 0.460 254 H N -1.249 117.650 119.070 -0.284 0.000 2.456 254 H HA -0.057 4.499 4.556 -0.000 0.000 0.296 254 H C 1.142 176.294 175.328 -0.293 0.000 1.079 254 H CA 1.840 57.745 56.048 -0.240 0.000 1.322 254 H CB -0.431 29.260 29.762 -0.118 0.000 1.388 254 H HN 0.638 nan 8.280 nan 0.000 0.538 255 T N 0.687 115.087 114.554 -0.257 0.000 2.812 255 T HA 0.020 4.370 4.350 -0.000 0.000 0.264 255 T C 2.360 176.604 174.700 -0.760 0.000 1.042 255 T CA 0.945 62.835 62.100 -0.349 0.000 1.140 255 T CB -0.226 68.504 68.868 -0.230 0.000 0.870 255 T HN 0.425 nan 8.240 nan 0.000 0.445 256 A N 1.891 123.975 122.820 -1.225 0.000 2.015 256 A HA -0.055 4.265 4.320 -0.000 0.000 0.219 256 A C 2.320 179.445 177.584 -0.765 0.000 1.163 256 A CA 0.960 52.072 52.037 -1.543 0.000 0.646 256 A CB -0.407 17.747 19.000 -1.410 0.000 0.806 256 A HN 0.401 nan 8.150 nan 0.000 0.448 257 R N -1.350 118.796 120.500 -0.590 0.000 2.189 257 R HA 0.018 4.357 4.340 -0.000 0.000 0.218 257 R C 1.846 177.992 176.300 -0.257 0.000 1.074 257 R CA 1.152 57.015 56.100 -0.395 0.000 0.991 257 R CB -0.280 29.824 30.300 -0.327 0.000 0.883 257 R HN 0.494 nan 8.270 nan 0.000 0.457 258 L N -0.098 120.977 121.223 -0.247 0.000 2.221 258 L HA 0.001 4.340 4.340 -0.000 0.000 0.202 258 L C 1.518 178.329 176.870 -0.098 0.000 1.074 258 L CA 1.006 55.759 54.840 -0.145 0.000 0.795 258 L CB 0.662 42.653 42.059 -0.113 0.000 0.960 258 L HN 0.002 nan 8.230 nan 0.000 0.458 259 V N -3.479 116.376 119.914 -0.098 0.000 3.330 259 V HA 0.613 4.733 4.120 -0.000 0.000 0.309 259 V C 0.766 176.950 176.094 0.150 0.000 1.481 259 V CA -0.204 62.132 62.300 0.061 0.000 1.068 259 V CB -0.742 31.235 31.823 0.256 0.000 0.935 259 V HN 0.210 nan 8.190 nan 0.000 0.453 260 A N 0.685 123.497 122.820 -0.014 0.000 2.498 260 A HA 0.401 4.721 4.320 -0.000 0.000 0.239 260 A C 0.647 178.321 177.584 0.150 0.000 1.068 260 A CA 0.855 52.981 52.037 0.148 0.000 0.766 260 A CB 0.089 19.042 19.000 -0.078 0.000 1.003 260 A HN 0.549 nan 8.150 nan 0.000 0.497 261 D N -0.698 119.831 120.400 0.216 0.000 2.423 261 D HA 0.242 4.882 4.640 -0.000 0.000 0.208 261 D C 0.015 176.398 176.300 0.138 0.000 1.068 261 D CA 0.735 54.812 54.000 0.128 0.000 0.860 261 D CB 0.403 41.263 40.800 0.101 0.000 0.992 261 D HN 0.424 nan 8.370 nan 0.000 0.504 262 K N -0.121 120.389 120.400 0.183 0.000 2.583 262 K HA 0.336 4.655 4.320 -0.000 0.000 0.260 262 K C -2.447 174.289 176.600 0.227 0.000 0.931 262 K CA -0.746 55.644 56.287 0.171 0.000 0.849 262 K CB 0.820 33.369 32.500 0.081 0.000 1.347 262 K HN -0.026 nan 8.250 nan 0.000 0.425 263 W N 6.523 127.870 121.300 0.079 0.000 2.785 263 W HA 0.700 5.360 4.660 -0.000 0.000 0.333 263 W C -1.860 174.844 176.519 0.309 0.000 1.062 263 W CA -0.970 56.431 57.345 0.095 0.000 1.233 263 W CB 0.968 30.446 29.460 0.030 0.000 1.413 263 W HN 0.308 nan 8.180 nan 0.000 0.489 264 F N 3.997 123.671 119.950 -0.461 0.000 2.495 264 F HA 0.444 4.970 4.527 -0.000 0.000 0.327 264 F C 0.241 175.567 175.800 -0.791 0.000 1.103 264 F CA -1.877 55.767 58.000 -0.593 0.000 0.949 264 F CB 1.920 40.734 39.000 -0.310 0.000 1.142 264 F HN 0.288 nan 8.300 nan 0.000 0.457 265 S N 5.680 121.023 115.700 -0.594 0.000 2.406 265 S HA 0.434 4.903 4.470 -0.000 0.000 0.224 265 S C -2.759 171.742 174.600 -0.165 0.000 1.426 265 S CA -1.495 56.480 58.200 -0.375 0.000 1.179 265 S CB 0.100 62.996 63.200 -0.506 0.000 1.042 265 S HN 0.270 nan 8.310 nan 0.000 0.479 266 P HA 0.225 nan 4.420 nan 0.000 0.275 266 P C -0.640 176.661 177.300 0.001 0.000 1.228 266 P CA -0.479 62.610 63.100 -0.019 0.000 0.786 266 P CB 0.735 32.478 31.700 0.071 0.000 0.927 267 K N 2.062 122.447 120.400 -0.025 0.000 2.319 267 K HA 0.182 4.502 4.320 -0.000 0.000 0.265 267 K C 0.867 177.449 176.600 -0.029 0.000 1.000 267 K CA -0.487 55.783 56.287 -0.028 0.000 0.943 267 K CB 0.078 32.547 32.500 -0.051 0.000 0.950 267 K HN 0.506 nan 8.250 nan 0.000 0.485 268 I N -1.242 119.302 120.570 -0.043 0.000 2.880 268 I HA 0.014 4.184 4.170 -0.000 0.000 0.296 268 I C 0.930 176.915 176.117 -0.221 0.000 1.220 268 I CA 0.436 61.675 61.300 -0.100 0.000 1.435 268 I CB -0.218 37.733 38.000 -0.082 0.000 1.339 268 I HN 0.853 nan 8.210 nan 0.000 0.583 269 G N 3.559 112.027 108.800 -0.554 0.000 2.249 269 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.273 269 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.273 269 G C 0.486 175.177 174.900 -0.347 0.000 1.036 269 G CA 0.603 45.104 45.100 -0.998 0.000 0.824 269 G HN 1.421 nan 8.290 nan 0.000 0.504 270 T N -4.218 110.287 114.554 -0.081 0.000 3.170 270 T HA 0.335 4.684 4.350 -0.000 0.000 0.288 270 T C 1.108 176.060 174.700 0.421 0.000 0.992 270 T CA 0.900 63.127 62.100 0.210 0.000 0.909 270 T CB 0.426 69.337 68.868 0.072 0.000 1.133 270 T HN 0.090 nan 8.240 nan 0.000 0.530 271 D N 2.313 123.106 120.400 0.656 0.000 2.123 271 D HA -0.172 4.468 4.640 -0.000 0.000 0.196 271 D C 2.054 178.899 176.300 0.909 0.000 0.992 271 D CA 1.644 56.150 54.000 0.842 0.000 0.833 271 D CB -0.147 41.202 40.800 0.915 0.000 0.954 271 D HN 0.677 nan 8.370 nan 0.000 0.455 272 H N 0.084 119.557 119.070 0.673 0.000 2.521 272 H HA 0.203 4.759 4.556 -0.000 0.000 0.286 272 H C 1.800 177.580 175.328 0.754 0.000 1.034 272 H CA 1.072 57.477 56.048 0.595 0.000 1.278 272 H CB -0.710 29.402 29.762 0.583 0.000 1.386 272 H HN 0.146 nan 8.280 nan 0.000 0.567 273 A N 2.021 125.139 122.820 0.497 0.000 1.898 273 A HA 0.001 4.321 4.320 -0.000 0.000 0.216 273 A C 2.716 180.515 177.584 0.358 0.000 1.181 273 A CA 1.128 53.309 52.037 0.239 0.000 0.620 273 A CB -0.756 18.027 19.000 -0.360 0.000 0.819 273 A HN 0.352 nan 8.150 nan 0.000 0.442 274 L N 0.554 121.997 121.223 0.366 0.000 2.046 274 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 274 L C 2.984 180.117 176.870 0.438 0.000 1.077 274 L CA 1.627 56.689 54.840 0.370 0.000 0.747 274 L CB -0.778 41.526 42.059 0.409 0.000 0.896 274 L HN 0.582 nan 8.230 nan 0.000 0.432 275 S N -0.217 115.794 115.700 0.518 0.000 2.383 275 S HA -0.151 4.318 4.470 -0.000 0.000 0.227 275 S C 1.930 176.590 174.600 0.099 0.000 1.026 275 S CA 0.910 59.258 58.200 0.247 0.000 0.981 275 S CB -0.894 62.306 63.200 -0.001 0.000 0.818 275 S HN 0.304 nan 8.310 nan 0.000 0.472 276 F N 2.351 122.470 119.950 0.281 0.000 2.146 276 F HA 0.062 4.588 4.527 -0.000 0.000 0.298 276 F C 2.928 178.770 175.800 0.070 0.000 1.096 276 F CA 0.832 58.926 58.000 0.157 0.000 1.275 276 F CB -0.525 38.563 39.000 0.148 0.000 1.008 276 F HN 0.315 nan 8.300 nan 0.000 0.480 277 A N 0.331 123.346 122.820 0.325 0.000 1.898 277 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 277 A C 2.138 179.772 177.584 0.084 0.000 1.181 277 A CA 1.438 53.599 52.037 0.206 0.000 0.620 277 A CB -1.025 18.097 19.000 0.202 0.000 0.819 277 A HN 0.407 nan 8.150 nan 0.000 0.442 278 I N -0.319 120.225 120.570 -0.043 0.000 2.286 278 I HA -0.267 3.902 4.170 -0.000 0.000 0.248 278 I C 2.891 178.592 176.117 -0.695 0.000 1.115 278 I CA 0.982 62.038 61.300 -0.406 0.000 1.392 278 I CB -0.291 37.389 38.000 -0.532 0.000 1.065 278 I HN 0.373 nan 8.210 nan 0.000 0.418 279 A N 0.142 122.764 122.820 -0.331 0.000 1.897 279 A HA -0.253 4.067 4.320 -0.000 0.000 0.215 279 A C 2.268 179.849 177.584 -0.005 0.000 1.181 279 A CA 1.159 53.128 52.037 -0.112 0.000 0.620 279 A CB -0.949 18.137 19.000 0.144 0.000 0.821 279 A HN 0.467 nan 8.150 nan 0.000 0.443 280 Y N 1.666 121.904 120.300 -0.104 0.000 2.114 280 Y HA -0.259 4.290 4.550 -0.000 0.000 0.282 280 Y C 2.651 178.536 175.900 -0.024 0.000 1.165 280 Y CA 2.513 60.556 58.100 -0.095 0.000 1.148 280 Y CB -0.800 37.594 38.460 -0.110 0.000 0.972 280 Y HN 0.333 nan 8.280 nan 0.000 0.504 281 T N -0.308 114.263 114.554 0.028 0.000 2.746 281 T HA -0.225 4.125 4.350 -0.000 0.000 0.267 281 T C 1.485 176.283 174.700 0.162 0.000 1.039 281 T CA 1.614 63.736 62.100 0.037 0.000 1.142 281 T CB -0.563 68.350 68.868 0.075 0.000 0.866 281 T HN 0.459 nan 8.240 nan 0.000 0.444 282 W N 1.379 122.689 121.300 0.017 0.000 2.381 282 W HA 0.162 4.821 4.660 -0.000 0.000 0.301 282 W C 2.102 178.680 176.519 0.098 0.000 1.205 282 W CA -0.082 57.305 57.345 0.070 0.000 1.285 282 W CB -1.400 28.084 29.460 0.040 0.000 1.133 282 W HN 0.266 nan 8.180 nan 0.000 0.521 283 L N 0.163 121.496 121.223 0.183 0.000 2.083 283 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 283 L C 2.540 179.431 176.870 0.035 0.000 1.083 283 L CA 1.131 56.029 54.840 0.097 0.000 0.752 283 L CB -0.771 41.243 42.059 -0.076 0.000 0.899 283 L HN -0.194 nan 8.230 nan 0.000 0.433 284 K N 0.337 120.662 120.400 -0.125 0.000 2.148 284 K HA -0.103 4.217 4.320 -0.000 0.000 0.204 284 K C 1.521 178.110 176.600 -0.018 0.000 1.050 284 K CA 1.207 57.396 56.287 -0.164 0.000 0.942 284 K CB 0.034 32.324 32.500 -0.350 0.000 0.724 284 K HN 0.443 nan 8.250 nan 0.000 0.446 285 E N 0.229 120.468 120.200 0.067 0.000 2.498 285 E HA 0.010 4.360 4.350 -0.000 0.000 0.203 285 E C -0.707 175.956 176.600 0.105 0.000 1.013 285 E CA -0.138 56.317 56.400 0.091 0.000 0.927 285 E CB 0.518 30.291 29.700 0.122 0.000 1.012 285 E HN 0.153 nan 8.360 nan 0.000 0.482 286 D N 0.843 121.339 120.400 0.160 0.000 2.870 286 D HA -0.133 4.507 4.640 -0.000 0.000 0.228 286 D C -0.127 176.196 176.300 0.039 0.000 1.147 286 D CA 1.191 55.256 54.000 0.109 0.000 0.757 286 D CB -1.573 39.231 40.800 0.006 0.000 1.091 286 D HN 0.273 nan 8.370 nan 0.000 0.429 287 S N -0.288 115.505 115.700 0.154 0.000 2.704 287 S HA 0.389 4.859 4.470 -0.000 0.000 0.241 287 S C -0.016 174.490 174.600 -0.158 0.000 1.264 287 S CA -0.697 57.500 58.200 -0.005 0.000 1.236 287 S CB -0.371 62.852 63.200 0.039 0.000 0.928 287 S HN 0.432 nan 8.310 nan 0.000 0.492 288 Y N -2.327 117.826 120.300 -0.245 0.000 2.715 288 Y HA 0.671 5.221 4.550 -0.000 0.000 0.331 288 Y C -0.882 174.898 175.900 -0.201 0.000 1.197 288 Y CA -1.731 56.169 58.100 -0.334 0.000 1.079 288 Y CB 0.260 38.588 38.460 -0.219 0.000 1.298 288 Y HN 0.047 nan 8.280 nan 0.000 0.477 289 D N 1.596 121.903 120.400 -0.154 0.000 2.470 289 D HA 0.150 4.790 4.640 -0.000 0.000 0.226 289 D C 0.336 176.537 176.300 -0.164 0.000 1.196 289 D CA 0.182 54.075 54.000 -0.178 0.000 0.979 289 D CB 0.514 41.228 40.800 -0.142 0.000 1.059 289 D HN 0.702 nan 8.370 nan 0.000 0.515 290 K N 1.571 121.742 120.400 -0.382 0.000 2.097 290 K HA -0.177 4.143 4.320 -0.000 0.000 0.206 290 K C 1.426 177.964 176.600 -0.102 0.000 1.049 290 K CA 1.074 57.191 56.287 -0.284 0.000 0.933 290 K CB 0.353 32.649 32.500 -0.339 0.000 0.717 290 K HN 0.225 nan 8.250 nan 0.000 0.442 291 E N 0.195 120.345 120.200 -0.083 0.000 2.051 291 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 291 E C 1.726 178.313 176.600 -0.022 0.000 0.991 291 E CA 1.184 57.555 56.400 -0.049 0.000 0.799 291 E CB -0.378 29.294 29.700 -0.047 0.000 0.748 291 E HN 0.340 nan 8.360 nan 0.000 0.449 292 Y N 0.614 120.836 120.300 -0.131 0.000 2.097 292 Y HA -0.261 4.289 4.550 -0.000 0.000 0.282 292 Y C 2.114 177.932 175.900 -0.136 0.000 1.152 292 Y CA 1.463 59.479 58.100 -0.139 0.000 1.136 292 Y CB -0.189 38.199 38.460 -0.121 0.000 0.975 292 Y HN -0.118 nan 8.280 nan 0.000 0.498 293 V N 0.323 120.308 119.914 0.119 0.000 2.407 293 V HA -0.339 3.781 4.120 -0.000 0.000 0.248 293 V C 2.599 178.619 176.094 -0.124 0.000 1.055 293 V CA 1.752 64.008 62.300 -0.074 0.000 1.049 293 V CB -1.531 30.102 31.823 -0.317 0.000 0.662 293 V HN 0.581 nan 8.190 nan 0.000 0.455 294 A N -0.354 122.420 122.820 -0.077 0.000 2.019 294 A HA -0.008 4.312 4.320 -0.000 0.000 0.219 294 A C 2.301 179.855 177.584 -0.051 0.000 1.164 294 A CA 2.004 54.019 52.037 -0.038 0.000 0.644 294 A CB -0.444 18.544 19.000 -0.021 0.000 0.805 294 A HN 0.572 nan 8.150 nan 0.000 0.449 295 A N -0.632 122.116 122.820 -0.119 0.000 1.956 295 A HA 0.069 4.388 4.320 -0.000 0.000 0.212 295 A C 1.346 178.814 177.584 -0.193 0.000 1.188 295 A CA 0.867 52.809 52.037 -0.158 0.000 0.675 295 A CB -0.032 18.833 19.000 -0.225 0.000 0.845 295 A HN 0.454 nan 8.150 nan 0.000 0.455 296 N N 0.020 118.549 118.700 -0.285 0.000 2.275 296 N HA 0.413 5.153 4.740 -0.000 0.000 0.236 296 N C -0.278 175.297 175.510 0.108 0.000 1.154 296 N CA 0.692 53.612 53.050 -0.218 0.000 0.866 296 N CB 0.903 38.932 38.487 -0.763 0.000 1.093 296 N HN 0.423 nan 8.380 nan 0.000 0.515 297 A N 0.090 122.980 122.820 0.118 0.000 2.454 297 A HA 0.602 4.922 4.320 -0.000 0.000 0.302 297 A C -1.397 176.369 177.584 0.303 0.000 1.079 297 A CA -0.497 51.698 52.037 0.262 0.000 0.731 297 A CB 1.664 20.741 19.000 0.129 0.000 1.299 297 A HN 0.330 nan 8.150 nan 0.000 0.413 298 H N -0.320 118.924 119.070 0.290 0.000 2.637 298 H HA 0.526 5.082 4.556 -0.000 0.000 0.363 298 H C 0.813 176.310 175.328 0.281 0.000 1.131 298 H CA 0.465 56.654 56.048 0.235 0.000 1.183 298 H CB 1.631 31.508 29.762 0.193 0.000 1.637 298 H HN 1.769 nan 8.280 nan 0.000 0.531 299 G N 3.417 111.955 108.800 -0.437 0.000 2.168 299 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.257 299 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.257 299 G C 0.777 175.684 174.900 0.011 0.000 0.997 299 G CA 0.719 45.670 45.100 -0.249 0.000 0.708 299 G HN 0.602 nan 8.290 nan 0.000 0.520 300 F N 0.951 120.812 119.950 -0.148 0.000 2.186 300 F HA 0.088 4.615 4.527 -0.000 0.000 0.299 300 F C 2.368 178.148 175.800 -0.033 0.000 1.090 300 F CA 2.277 60.116 58.000 -0.268 0.000 1.307 300 F CB 0.018 38.815 39.000 -0.340 0.000 1.019 300 F HN 0.311 nan 8.300 nan 0.000 0.489 301 E N 0.382 120.607 120.200 0.042 0.000 2.058 301 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 301 E C 1.951 178.520 176.600 -0.052 0.000 0.997 301 E CA 1.913 58.312 56.400 -0.002 0.000 0.801 301 E CB -0.321 29.413 29.700 0.056 0.000 0.746 301 E HN 0.458 nan 8.360 nan 0.000 0.450 302 E N -0.609 119.587 120.200 -0.006 0.000 2.150 302 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 302 E C 1.507 178.139 176.600 0.052 0.000 0.985 302 E CA 0.777 57.188 56.400 0.018 0.000 0.814 302 E CB -0.251 29.473 29.700 0.039 0.000 0.752 302 E HN 0.360 nan 8.360 nan 0.000 0.466 303 W N 1.455 122.657 121.300 -0.162 0.000 2.379 303 W HA -0.082 4.578 4.660 -0.000 0.000 0.307 303 W C 2.340 178.758 176.519 -0.167 0.000 1.200 303 W CA 1.917 59.195 57.345 -0.111 0.000 1.297 303 W CB -0.483 28.879 29.460 -0.164 0.000 1.140 303 W HN 0.057 nan 8.180 nan 0.000 0.507 304 A N 0.312 122.938 122.820 -0.323 0.000 1.908 304 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 304 A C 1.769 179.173 177.584 -0.300 0.000 1.181 304 A CA 2.296 54.073 52.037 -0.434 0.000 0.627 304 A CB -1.137 17.619 19.000 -0.407 0.000 0.818 304 A HN 0.313 nan 8.150 nan 0.000 0.445 305 D N -1.765 118.525 120.400 -0.183 0.000 2.123 305 D HA -0.176 4.464 4.640 -0.000 0.000 0.196 305 D C 1.664 177.855 176.300 -0.181 0.000 0.992 305 D CA 1.675 55.591 54.000 -0.139 0.000 0.833 305 D CB -0.456 40.302 40.800 -0.071 0.000 0.954 305 D HN 0.636 nan 8.370 nan 0.000 0.455 306 Y N 1.636 121.758 120.300 -0.297 0.000 2.145 306 Y HA -0.230 4.320 4.550 -0.000 0.000 0.286 306 Y C 2.198 177.811 175.900 -0.479 0.000 1.145 306 Y CA 1.155 59.041 58.100 -0.356 0.000 1.148 306 Y CB -0.451 37.792 38.460 -0.361 0.000 0.981 306 Y HN -0.194 nan 8.280 nan 0.000 0.507 307 V N 0.813 120.320 119.914 -0.677 0.000 2.332 307 V HA -0.332 3.788 4.120 -0.000 0.000 0.248 307 V C 2.446 178.270 176.094 -0.450 0.000 1.055 307 V CA 2.103 63.986 62.300 -0.694 0.000 1.038 307 V CB -0.875 30.582 31.823 -0.610 0.000 0.651 307 V HN 0.457 nan 8.190 nan 0.000 0.450 308 L N 0.312 121.359 121.223 -0.293 0.000 2.456 308 L HA 0.103 4.443 4.340 -0.000 0.000 0.224 308 L C 1.843 178.592 176.870 -0.201 0.000 1.148 308 L CA 1.063 55.839 54.840 -0.106 0.000 0.825 308 L CB -0.702 41.287 42.059 -0.117 0.000 0.937 308 L HN 0.619 nan 8.230 nan 0.000 0.450 309 G N -0.266 108.297 108.800 -0.396 0.000 2.157 309 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.239 309 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.239 309 G C 0.899 175.634 174.900 -0.275 0.000 0.982 309 G CA 0.302 45.153 45.100 -0.415 0.000 0.650 309 G HN 0.357 nan 8.290 nan 0.000 0.527 310 K N 0.076 120.348 120.400 -0.212 0.000 2.362 310 K HA 0.022 4.342 4.320 -0.000 0.000 0.200 310 K C 2.500 179.037 176.600 -0.106 0.000 1.046 310 K CA 1.667 57.874 56.287 -0.134 0.000 0.952 310 K CB -0.061 32.379 32.500 -0.100 0.000 0.753 310 K HN 0.614 nan 8.250 nan 0.000 0.466 311 T N -1.675 112.811 114.554 -0.113 0.000 2.990 311 T HA -0.015 4.335 4.350 -0.000 0.000 0.249 311 T C 1.054 175.726 174.700 -0.047 0.000 1.039 311 T CA 0.397 62.470 62.100 -0.044 0.000 1.036 311 T CB 0.160 69.048 68.868 0.033 0.000 0.994 311 T HN 0.132 nan 8.240 nan 0.000 0.489 312 D N 0.559 120.890 120.400 -0.114 0.000 2.513 312 D HA 0.254 4.894 4.640 -0.000 0.000 0.222 312 D C 1.444 177.651 176.300 -0.155 0.000 1.210 312 D CA 0.113 54.050 54.000 -0.105 0.000 0.825 312 D CB -0.444 40.306 40.800 -0.084 0.000 1.037 312 D HN 0.495 nan 8.370 nan 0.000 0.506 313 G N 0.355 109.050 108.800 -0.175 0.000 2.225 313 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.267 313 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.267 313 G C 0.031 174.792 174.900 -0.231 0.000 1.024 313 G CA 0.704 45.702 45.100 -0.170 0.000 0.784 313 G HN 0.462 nan 8.290 nan 0.000 0.507 314 T N 0.955 115.295 114.554 -0.357 0.000 3.077 314 T HA 0.476 4.826 4.350 -0.000 0.000 0.359 314 T C -2.730 171.545 174.700 -0.707 0.000 1.108 314 T CA -1.001 60.808 62.100 -0.486 0.000 1.170 314 T CB 2.645 71.205 68.868 -0.514 0.000 1.045 314 T HN 0.055 nan 8.240 nan 0.000 0.505 315 P HA 0.120 nan 4.420 nan 0.000 0.264 315 P C 0.080 176.746 177.300 -1.056 0.000 1.193 315 P CA -0.467 62.221 63.100 -0.685 0.000 0.763 315 P CB 0.508 31.923 31.700 -0.474 0.000 0.810 316 K N 2.348 122.055 120.400 -1.155 0.000 2.737 316 K HA 0.104 4.424 4.320 -0.000 0.000 0.251 316 K C 0.601 176.705 176.600 -0.827 0.000 1.280 316 K CA 0.153 55.724 56.287 -1.194 0.000 1.219 316 K CB -1.265 30.684 32.500 -0.918 0.000 1.587 316 K HN 0.492 nan 8.250 nan 0.000 0.279 317 T N -3.326 110.703 114.554 -0.875 0.000 2.813 317 T HA 0.027 4.377 4.350 -0.000 0.000 0.297 317 T C 1.671 176.338 174.700 -0.056 0.000 1.036 317 T CA -0.577 61.163 62.100 -0.600 0.000 1.044 317 T CB 0.902 69.519 68.868 -0.419 0.000 0.993 317 T HN 0.368 nan 8.240 nan 0.000 0.535 318 C N 1.050 120.359 119.300 0.015 0.000 2.422 318 C HA 0.003 4.462 4.460 -0.000 0.000 0.279 318 C C 2.798 177.791 174.990 0.005 0.000 1.305 318 C CA 0.612 59.656 59.018 0.044 0.000 1.757 318 C CB -1.448 26.321 27.740 0.049 0.000 1.962 318 C HN 0.987 nan 8.230 nan 0.000 0.499 319 E N -0.312 119.888 120.200 0.001 0.000 2.077 319 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 319 E C 1.636 178.229 176.600 -0.012 0.000 0.989 319 E CA 1.180 57.569 56.400 -0.018 0.000 0.800 319 E CB -0.383 29.308 29.700 -0.014 0.000 0.746 319 E HN 0.861 nan 8.360 nan 0.000 0.452 320 W N 1.214 122.401 121.300 -0.189 0.000 2.363 320 W HA -0.117 4.543 4.660 -0.000 0.000 0.296 320 W C 2.178 178.577 176.519 -0.200 0.000 1.212 320 W CA 2.037 59.253 57.345 -0.215 0.000 1.260 320 W CB -0.334 28.947 29.460 -0.298 0.000 1.131 320 W HN 0.048 nan 8.180 nan 0.000 0.530 321 A N 0.227 122.935 122.820 -0.186 0.000 1.898 321 A HA -0.242 4.078 4.320 -0.000 0.000 0.216 321 A C 2.020 179.396 177.584 -0.347 0.000 1.181 321 A CA 1.888 53.689 52.037 -0.393 0.000 0.620 321 A CB -1.123 17.838 19.000 -0.066 0.000 0.819 321 A HN 0.526 nan 8.150 nan 0.000 0.442 322 E N -0.300 119.765 120.200 -0.224 0.000 2.051 322 E HA -0.262 4.088 4.350 -0.000 0.000 0.192 322 E C 2.017 178.481 176.600 -0.228 0.000 0.991 322 E CA 1.387 57.665 56.400 -0.204 0.000 0.799 322 E CB -0.192 29.416 29.700 -0.152 0.000 0.748 322 E HN 0.739 nan 8.360 nan 0.000 0.449 323 E N -0.240 119.812 120.200 -0.248 0.000 2.160 323 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 323 E C 1.816 178.244 176.600 -0.288 0.000 0.991 323 E CA 1.094 57.353 56.400 -0.236 0.000 0.810 323 E CB 0.190 29.764 29.700 -0.210 0.000 0.742 323 E HN 0.258 nan 8.360 nan 0.000 0.466 324 E N -0.305 119.637 120.200 -0.430 0.000 2.102 324 E HA -0.069 4.281 4.350 -0.000 0.000 0.190 324 E C 2.184 178.645 176.600 -0.232 0.000 0.971 324 E CA 1.266 57.435 56.400 -0.385 0.000 0.821 324 E CB 0.115 29.412 29.700 -0.672 0.000 0.777 324 E HN 0.266 nan 8.360 nan 0.000 0.460 325 S N -1.386 114.175 115.700 -0.232 0.000 2.492 325 S HA 0.233 4.703 4.470 -0.000 0.000 0.218 325 S C 1.679 176.193 174.600 -0.144 0.000 1.016 325 S CA 0.856 58.971 58.200 -0.143 0.000 0.916 325 S CB 0.836 63.971 63.200 -0.108 0.000 0.791 325 S HN 0.294 nan 8.310 nan 0.000 0.513 326 G N 0.629 109.327 108.800 -0.170 0.000 2.217 326 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.246 326 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.246 326 G C 0.057 174.834 174.900 -0.205 0.000 0.990 326 G CA -0.016 44.985 45.100 -0.164 0.000 0.627 326 G HN 0.762 nan 8.290 nan 0.000 0.522 327 V N 2.803 122.571 119.914 -0.243 0.000 2.488 327 V HA 0.383 4.503 4.120 -0.000 0.000 0.277 327 V C -1.466 174.436 176.094 -0.320 0.000 1.046 327 V CA -1.259 60.827 62.300 -0.356 0.000 0.986 327 V CB 1.126 32.684 31.823 -0.440 0.000 0.989 327 V HN 0.126 nan 8.190 nan 0.000 0.475 328 P HA -0.023 nan 4.420 nan 0.000 0.261 328 P C 0.651 177.831 177.300 -0.201 0.000 1.173 328 P CA 0.475 63.439 63.100 -0.227 0.000 0.760 328 P CB 0.635 32.209 31.700 -0.210 0.000 0.783 329 A N 3.840 126.585 122.820 -0.125 0.000 1.940 329 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 329 A C 2.175 179.734 177.584 -0.042 0.000 1.176 329 A CA 2.018 54.011 52.037 -0.075 0.000 0.631 329 A CB -1.777 17.196 19.000 -0.045 0.000 0.814 329 A HN 0.758 nan 8.150 nan 0.000 0.446 330 C N -0.702 118.574 119.300 -0.040 0.000 2.425 330 C HA -0.057 4.403 4.460 -0.000 0.000 0.277 330 C C 2.223 177.222 174.990 0.016 0.000 1.280 330 C CA 1.051 60.068 59.018 -0.002 0.000 1.744 330 C CB -1.515 26.223 27.740 -0.002 0.000 1.989 330 C HN 0.661 nan 8.230 nan 0.000 0.491 331 E N 1.207 121.382 120.200 -0.042 0.000 2.158 331 E HA 0.011 4.361 4.350 -0.000 0.000 0.191 331 E C 2.104 178.765 176.600 0.101 0.000 0.982 331 E CA 1.034 57.442 56.400 0.014 0.000 0.823 331 E CB -0.172 29.419 29.700 -0.183 0.000 0.766 331 E HN 0.706 nan 8.360 nan 0.000 0.468 332 I N 0.997 121.556 120.570 -0.018 0.000 2.226 332 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 332 I C 2.720 178.925 176.117 0.147 0.000 1.100 332 I CA 1.050 62.403 61.300 0.089 0.000 1.374 332 I CB -0.188 37.819 38.000 0.013 0.000 1.057 332 I HN 0.010 nan 8.210 nan 0.000 0.413 333 R N 1.111 121.678 120.500 0.111 0.000 2.115 333 R HA -0.102 4.237 4.340 -0.000 0.000 0.226 333 R C 2.363 178.766 176.300 0.171 0.000 1.100 333 R CA 1.272 57.451 56.100 0.131 0.000 0.980 333 R CB -0.142 30.222 30.300 0.106 0.000 0.875 333 R HN 0.334 nan 8.270 nan 0.000 0.445 334 A N 1.069 123.992 122.820 0.172 0.000 1.902 334 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 334 A C 1.978 179.709 177.584 0.245 0.000 1.181 334 A CA 1.119 53.270 52.037 0.190 0.000 0.623 334 A CB -0.542 18.562 19.000 0.173 0.000 0.818 334 A HN 0.371 nan 8.150 nan 0.000 0.443 335 L N -0.128 121.270 121.223 0.293 0.000 2.017 335 L HA -0.033 4.306 4.340 -0.000 0.000 0.208 335 L C 2.673 179.817 176.870 0.456 0.000 1.073 335 L CA 2.235 57.282 54.840 0.345 0.000 0.745 335 L CB -0.965 41.316 42.059 0.370 0.000 0.894 335 L HN 0.340 nan 8.230 nan 0.000 0.432 336 A N -0.256 122.788 122.820 0.374 0.000 1.917 336 A HA -0.268 4.051 4.320 -0.000 0.000 0.219 336 A C 2.437 180.403 177.584 0.637 0.000 1.182 336 A CA 2.175 54.435 52.037 0.371 0.000 0.633 336 A CB -0.599 18.433 19.000 0.053 0.000 0.819 336 A HN 0.550 nan 8.150 nan 0.000 0.448 337 R N -1.566 119.189 120.500 0.424 0.000 2.090 337 R HA -0.104 4.236 4.340 -0.000 0.000 0.228 337 R C 2.485 178.985 176.300 0.333 0.000 1.110 337 R CA 1.418 57.733 56.100 0.358 0.000 0.973 337 R CB -0.245 30.200 30.300 0.241 0.000 0.869 337 R HN 0.600 nan 8.270 nan 0.000 0.440 338 Q N 0.116 120.112 119.800 0.328 0.000 2.079 338 Q HA -0.170 4.170 4.340 -0.000 0.000 0.200 338 Q C 1.611 177.818 176.000 0.344 0.000 0.974 338 Q CA 1.347 57.311 55.803 0.270 0.000 0.840 338 Q CB -0.266 28.604 28.738 0.220 0.000 0.898 338 Q HN 0.376 nan 8.270 nan 0.000 0.430 339 W N 0.488 121.945 121.300 0.262 0.000 2.335 339 W HA -0.143 4.516 4.660 -0.000 0.000 0.311 339 W C 1.955 178.571 176.519 0.161 0.000 1.213 339 W CA 2.172 59.694 57.345 0.295 0.000 1.274 339 W CB -0.927 28.866 29.460 0.556 0.000 1.148 339 W HN 0.280 nan 8.180 nan 0.000 0.498 340 A N 1.133 124.205 122.820 0.421 0.000 1.877 340 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 340 A C 2.017 179.614 177.584 0.023 0.000 1.186 340 A CA 2.504 54.522 52.037 -0.032 0.000 0.620 340 A CB -0.896 18.025 19.000 -0.132 0.000 0.822 340 A HN 0.454 nan 8.150 nan 0.000 0.443 341 K N -1.343 119.118 120.400 0.102 0.000 2.459 341 K HA 0.088 4.408 4.320 -0.000 0.000 0.193 341 K C -0.055 176.588 176.600 0.072 0.000 1.030 341 K CA 0.330 56.657 56.287 0.068 0.000 1.026 341 K CB 0.177 32.724 32.500 0.079 0.000 0.809 341 K HN 0.084 nan 8.250 nan 0.000 0.504 342 K N 1.532 121.995 120.400 0.104 0.000 2.208 342 K HA 0.244 4.563 4.320 -0.000 0.000 0.247 342 K C -0.828 175.810 176.600 0.062 0.000 0.953 342 K CA -0.941 55.398 56.287 0.086 0.000 0.837 342 K CB 1.191 33.750 32.500 0.099 0.000 1.131 342 K HN -0.049 nan 8.250 nan 0.000 0.431 343 N N 1.736 120.465 118.700 0.048 0.000 2.406 343 N HA 0.061 4.801 4.740 -0.000 0.000 0.274 343 N C -0.772 174.731 175.510 -0.012 0.000 1.249 343 N CA 0.466 53.515 53.050 -0.001 0.000 0.951 343 N CB 0.198 38.722 38.487 0.061 0.000 1.241 343 N HN 0.292 nan 8.380 nan 0.000 0.485 344 T N 2.653 117.152 114.554 -0.093 0.000 2.807 344 T HA 0.373 4.723 4.350 -0.000 0.000 0.279 344 T C -0.383 174.169 174.700 -0.247 0.000 0.993 344 T CA -0.368 61.641 62.100 -0.151 0.000 0.970 344 T CB 0.614 69.286 68.868 -0.327 0.000 0.950 344 T HN 0.188 nan 8.240 nan 0.000 0.441 345 Y N 1.764 122.016 120.300 -0.079 0.000 2.361 345 Y HA 0.600 5.150 4.550 -0.000 0.000 0.332 345 Y C -0.093 175.713 175.900 -0.156 0.000 1.101 345 Y CA -1.283 56.811 58.100 -0.011 0.000 1.137 345 Y CB 1.194 39.722 38.460 0.115 0.000 1.207 345 Y HN 0.390 nan 8.280 nan 0.000 0.463 346 L N 3.335 124.625 121.223 0.113 0.000 2.262 346 L HA 0.698 5.037 4.340 -0.000 0.000 0.288 346 L C -0.316 176.553 176.870 -0.002 0.000 1.035 346 L CA -0.739 54.137 54.840 0.061 0.000 0.820 346 L CB 0.439 42.677 42.059 0.300 0.000 1.204 346 L HN 0.671 nan 8.230 nan 0.000 0.424 347 A N 5.377 128.078 122.820 -0.197 0.000 2.774 347 A HA 0.740 5.060 4.320 -0.000 0.000 0.326 347 A C 0.250 177.865 177.584 0.052 0.000 1.478 347 A CA -0.042 51.846 52.037 -0.248 0.000 1.099 347 A CB -0.438 18.096 19.000 -0.775 0.000 1.148 347 A HN 0.949 nan 8.150 nan 0.000 0.519 348 A N 2.255 125.164 122.820 0.149 0.000 2.279 348 A HA 0.695 5.015 4.320 -0.000 0.000 0.306 348 A C 0.935 178.743 177.584 0.373 0.000 1.300 348 A CA 0.402 52.657 52.037 0.364 0.000 0.925 348 A CB -0.529 18.628 19.000 0.262 0.000 1.152 348 A HN 2.615 nan 8.150 nan 0.000 0.544 349 G N 1.395 110.491 108.800 0.493 0.000 2.814 349 G HA2 0.183 4.142 3.960 -0.000 0.000 0.677 349 G HA3 0.183 4.142 3.960 -0.000 0.000 0.677 349 G C 0.825 175.833 174.900 0.179 0.000 1.429 349 G CA -0.130 45.187 45.100 0.362 0.000 0.868 349 G HN 1.685 nan 8.290 nan 0.000 0.553 350 G N -1.045 107.837 108.800 0.138 0.000 2.623 350 G HA2 0.308 4.268 3.960 -0.000 0.000 0.214 350 G HA3 0.308 4.268 3.960 -0.000 0.000 0.214 350 G C 1.703 176.574 174.900 -0.048 0.000 1.138 350 G CA 1.658 46.792 45.100 0.056 0.000 0.794 350 G HN 1.188 nan 8.290 nan 0.000 0.535 351 L N -0.015 121.144 121.223 -0.106 0.000 2.253 351 L HA 0.484 4.824 4.340 -0.000 0.000 0.205 351 L C 1.230 177.885 176.870 -0.358 0.000 1.078 351 L CA 1.603 56.247 54.840 -0.326 0.000 0.805 351 L CB 0.243 41.858 42.059 -0.741 0.000 0.963 351 L HN 0.309 nan 8.230 nan 0.000 0.459 352 G N -0.898 107.705 108.800 -0.329 0.000 2.766 352 G HA2 0.441 4.401 3.960 -0.000 0.000 0.208 352 G HA3 0.441 4.401 3.960 -0.000 0.000 0.208 352 G C 0.177 174.760 174.900 -0.529 0.000 0.991 352 G CA -0.334 44.580 45.100 -0.311 0.000 1.212 352 G HN 1.044 nan 8.290 nan 0.000 0.617 353 G N -0.263 108.207 108.800 -0.551 0.000 2.353 353 G HA2 0.498 4.458 3.960 -0.000 0.000 0.615 353 G HA3 0.498 4.458 3.960 -0.000 0.000 0.615 353 G C 0.257 174.913 174.900 -0.406 0.000 1.280 353 G CA 0.473 44.922 45.100 -1.086 0.000 1.000 353 G HN 1.931 nan 8.290 nan 0.000 0.516 354 W N -1.908 119.101 121.300 -0.485 0.000 3.427 354 W HA 0.334 4.994 4.660 -0.000 0.000 0.319 354 W C 1.282 178.052 176.519 0.419 0.000 0.165 354 W CA 2.035 59.395 57.345 0.024 0.000 0.459 354 W CB -1.518 27.806 29.460 -0.226 0.000 1.886 354 W HN 3.028 nan 8.180 nan 0.000 0.425 355 G N -1.007 108.038 108.800 0.409 0.000 3.067 355 G HA2 0.466 4.426 3.960 -0.000 0.000 0.686 355 G HA3 0.466 4.426 3.960 -0.000 0.000 0.686 355 G C 0.471 175.379 174.900 0.013 0.000 1.119 355 G CA 0.560 45.797 45.100 0.228 0.000 0.790 355 G HN 1.828 nan 8.290 nan 0.000 0.605 356 G N 0.703 109.456 108.800 -0.078 0.000 2.485 356 G HA2 0.161 4.121 3.960 -0.000 0.000 0.221 356 G HA3 0.161 4.121 3.960 -0.000 0.000 0.221 356 G C 2.031 176.837 174.900 -0.156 0.000 1.115 356 G CA 2.572 47.618 45.100 -0.090 0.000 0.751 356 G HN 2.070 nan 8.290 nan 0.000 0.567 357 A N 0.490 123.064 122.820 -0.409 0.000 1.972 357 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 357 A C 2.687 179.978 177.584 -0.488 0.000 1.169 357 A CA 1.947 53.573 52.037 -0.685 0.000 0.635 357 A CB -1.093 16.873 19.000 -1.725 0.000 0.810 357 A HN 1.003 nan 8.150 nan 0.000 0.446 358 C N 0.207 119.394 119.300 -0.188 0.000 2.419 358 C HA 0.060 4.520 4.460 -0.000 0.000 0.281 358 C C 1.578 176.607 174.990 0.066 0.000 1.336 358 C CA 0.446 59.529 59.018 0.107 0.000 1.770 358 C CB -1.354 26.621 27.740 0.391 0.000 1.929 358 C HN 0.610 nan 8.230 nan 0.000 0.509 359 R N 1.123 121.645 120.500 0.038 0.000 2.937 359 R HA 0.731 5.071 4.340 -0.000 0.000 0.264 359 R C -0.468 175.844 176.300 0.020 0.000 1.334 359 R CA 0.380 56.518 56.100 0.064 0.000 1.516 359 R CB 0.215 30.561 30.300 0.077 0.000 1.187 359 R HN 0.508 nan 8.270 nan 0.000 0.609 360 A N 0.834 123.653 122.820 -0.002 0.000 2.564 360 A HA 0.345 4.664 4.320 -0.000 0.000 0.291 360 A C 0.492 178.014 177.584 -0.103 0.000 1.102 360 A CA -0.406 51.616 52.037 -0.025 0.000 0.660 360 A CB 0.975 20.033 19.000 0.097 0.000 1.283 360 A HN 0.467 nan 8.150 nan 0.000 0.430 361 S N 0.095 115.590 115.700 -0.341 0.000 2.500 361 S HA -0.153 4.317 4.470 -0.000 0.000 0.239 361 S C 0.994 175.430 174.600 -0.274 0.000 0.989 361 S CA 1.782 59.556 58.200 -0.711 0.000 0.951 361 S CB -0.537 61.641 63.200 -1.703 0.000 0.759 361 S HN 1.242 nan 8.310 nan 0.000 0.523 362 H N -0.959 117.941 119.070 -0.283 0.000 2.784 362 H HA 0.447 5.003 4.556 -0.000 0.000 0.273 362 H C 1.519 176.737 175.328 -0.184 0.000 1.112 362 H CA 0.026 55.913 56.048 -0.270 0.000 1.162 362 H CB -0.824 28.770 29.762 -0.280 0.000 1.586 362 H HN 0.314 nan 8.280 nan 0.000 0.548 363 G N 1.723 110.351 108.800 -0.287 0.000 2.442 363 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.219 363 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.219 363 G C 1.655 176.466 174.900 -0.148 0.000 1.141 363 G CA 0.934 45.896 45.100 -0.229 0.000 0.763 363 G HN 0.397 nan 8.290 nan 0.000 0.554 364 I N 0.433 120.957 120.570 -0.076 0.000 2.142 364 I HA -0.121 4.049 4.170 -0.000 0.000 0.240 364 I C 2.697 178.720 176.117 -0.157 0.000 1.078 364 I CA 1.110 62.377 61.300 -0.054 0.000 1.343 364 I CB -0.086 37.958 38.000 0.072 0.000 1.046 364 I HN 0.084 nan 8.210 nan 0.000 0.405 365 E N -0.232 119.903 120.200 -0.108 0.000 2.150 365 E HA -0.258 4.092 4.350 -0.000 0.000 0.193 365 E C 1.651 178.159 176.600 -0.153 0.000 0.985 365 E CA 0.998 57.389 56.400 -0.013 0.000 0.814 365 E CB -0.514 29.263 29.700 0.128 0.000 0.752 365 E HN 0.617 nan 8.360 nan 0.000 0.466 366 W N 1.894 122.928 121.300 -0.442 0.000 2.358 366 W HA -0.111 4.549 4.660 -0.000 0.000 0.303 366 W C 2.285 178.402 176.519 -0.669 0.000 1.208 366 W CA 2.237 59.296 57.345 -0.477 0.000 1.274 366 W CB -0.349 28.764 29.460 -0.579 0.000 1.138 366 W HN 0.041 nan 8.180 nan 0.000 0.515 367 A N 0.838 123.082 122.820 -0.961 0.000 1.877 367 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 367 A C 2.089 178.883 177.584 -1.316 0.000 1.186 367 A CA 1.738 52.801 52.037 -1.624 0.000 0.620 367 A CB -0.761 17.373 19.000 -1.445 0.000 0.822 367 A HN 0.375 nan 8.150 nan 0.000 0.443 368 R N -0.888 119.014 120.500 -0.998 0.000 2.115 368 R HA -0.084 4.256 4.340 -0.000 0.000 0.230 368 R C 2.362 177.935 176.300 -1.213 0.000 1.111 368 R CA 0.959 56.403 56.100 -1.093 0.000 0.976 368 R CB -0.540 29.116 30.300 -1.073 0.000 0.870 368 R HN 0.546 nan 8.270 nan 0.000 0.445 369 G N 1.160 109.331 108.800 -1.047 0.000 2.421 369 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 369 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 369 G C 1.415 175.904 174.900 -0.685 0.000 1.171 369 G CA 0.484 45.206 45.100 -0.630 0.000 0.775 369 G HN 0.063 nan 8.290 nan 0.000 0.543 370 M N 0.406 119.423 119.600 -0.972 0.000 2.149 370 M HA 0.057 4.536 4.480 -0.000 0.000 0.261 370 M C 2.601 178.593 176.300 -0.513 0.000 1.064 370 M CA 0.935 55.767 55.300 -0.780 0.000 1.102 370 M CB -0.961 31.049 32.600 -0.984 0.000 1.369 370 M HN 0.251 nan 8.290 nan 0.000 0.408 371 I N -0.163 119.982 120.570 -0.707 0.000 2.353 371 I HA -0.195 3.975 4.170 -0.000 0.000 0.248 371 I C 2.577 178.410 176.117 -0.474 0.000 1.119 371 I CA 0.864 61.745 61.300 -0.698 0.000 1.417 371 I CB -0.561 36.777 38.000 -1.103 0.000 1.078 371 I HN 0.188 nan 8.210 nan 0.000 0.421 372 A N 0.938 123.446 122.820 -0.520 0.000 1.902 372 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 372 A C 2.117 179.719 177.584 0.029 0.000 1.181 372 A CA 1.478 53.331 52.037 -0.307 0.000 0.623 372 A CB -0.591 18.259 19.000 -0.251 0.000 0.818 372 A HN 0.267 nan 8.150 nan 0.000 0.443 373 L N -0.463 120.749 121.223 -0.019 0.000 2.056 373 L HA -0.029 4.311 4.340 -0.000 0.000 0.207 373 L C 2.977 179.960 176.870 0.188 0.000 1.078 373 L CA 1.817 56.730 54.840 0.123 0.000 0.749 373 L CB -1.209 40.776 42.059 -0.123 0.000 0.901 373 L HN 0.384 nan 8.230 nan 0.000 0.433 374 A N -1.380 121.512 122.820 0.119 0.000 1.933 374 A HA -0.192 4.127 4.320 -0.000 0.000 0.218 374 A C 2.359 179.986 177.584 0.072 0.000 1.175 374 A CA 2.233 54.355 52.037 0.142 0.000 0.628 374 A CB -0.929 18.154 19.000 0.139 0.000 0.814 374 A HN 0.440 nan 8.150 nan 0.000 0.444 375 T N 0.054 114.670 114.554 0.102 0.000 2.701 375 T HA -0.128 4.222 4.350 -0.000 0.000 0.263 375 T C 1.916 176.651 174.700 0.059 0.000 1.040 375 T CA 1.693 63.900 62.100 0.178 0.000 1.147 375 T CB -0.326 68.722 68.868 0.301 0.000 0.865 375 T HN 0.433 nan 8.240 nan 0.000 0.426 376 M N 0.923 120.598 119.600 0.125 0.000 2.337 376 M HA -0.094 4.386 4.480 -0.000 0.000 0.261 376 M C 1.729 177.982 176.300 -0.078 0.000 1.067 376 M CA 1.217 56.573 55.300 0.094 0.000 1.074 376 M CB -0.173 32.562 32.600 0.226 0.000 1.395 376 M HN 0.102 nan 8.290 nan 0.000 0.431 377 Q N -0.313 119.366 119.800 -0.201 0.000 2.220 377 Q HA 0.207 4.546 4.340 -0.000 0.000 0.205 377 Q C 0.666 176.433 176.000 -0.389 0.000 0.865 377 Q CA 0.414 56.039 55.803 -0.297 0.000 0.960 377 Q CB 0.573 29.189 28.738 -0.202 0.000 1.097 377 Q HN 0.627 nan 8.270 nan 0.000 0.493 378 G N 3.031 111.395 108.800 -0.726 0.000 2.353 378 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.294 378 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.294 378 G C 0.268 174.694 174.900 -0.791 0.000 1.077 378 G CA 0.520 44.740 45.100 -1.467 0.000 1.098 378 G HN 0.451 nan 8.290 nan 0.000 0.511 379 M N -0.592 118.738 119.600 -0.449 0.000 2.251 379 M HA 0.456 4.936 4.480 -0.000 0.000 0.343 379 M C 1.385 177.714 176.300 0.049 0.000 1.245 379 M CA 1.609 56.864 55.300 -0.076 0.000 1.061 379 M CB 0.884 33.547 32.600 0.105 0.000 1.723 379 M HN 1.721 nan 8.290 nan 0.000 0.449 380 G N 2.987 111.809 108.800 0.037 0.000 2.339 380 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.209 380 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.209 380 G C -0.040 174.874 174.900 0.024 0.000 1.015 380 G CA 0.090 45.228 45.100 0.064 0.000 0.635 380 G HN 1.041 nan 8.290 nan 0.000 0.499 381 K N 1.381 121.770 120.400 -0.018 0.000 2.168 381 K HA 0.573 4.893 4.320 -0.000 0.000 0.258 381 K C -2.806 173.741 176.600 -0.088 0.000 1.010 381 K CA -1.579 54.680 56.287 -0.047 0.000 0.929 381 K CB 0.822 33.282 32.500 -0.066 0.000 0.998 381 K HN 0.068 nan 8.250 nan 0.000 0.479 382 P HA -0.049 nan 4.420 nan 0.000 0.261 382 P C 0.477 177.635 177.300 -0.237 0.000 1.183 382 P CA 1.325 64.288 63.100 -0.228 0.000 0.761 382 P CB 0.472 31.887 31.700 -0.474 0.000 0.785 383 G N 1.709 110.470 108.800 -0.065 0.000 2.179 383 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.260 383 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.260 383 G C 0.273 174.863 174.900 -0.517 0.000 0.977 383 G CA 0.239 45.287 45.100 -0.086 0.000 0.641 383 G HN 0.788 nan 8.290 nan 0.000 0.533 384 S N -0.062 115.346 115.700 -0.487 0.000 2.677 384 S HA 0.707 5.177 4.470 -0.000 0.000 0.283 384 S C -0.761 173.650 174.600 -0.314 0.000 1.159 384 S CA 0.013 57.928 58.200 -0.475 0.000 1.001 384 S CB 1.405 64.449 63.200 -0.260 0.000 1.032 384 S HN 0.749 nan 8.310 nan 0.000 0.487 385 N N 2.364 120.912 118.700 -0.253 0.000 3.717 385 N HA 0.213 4.953 4.740 -0.000 0.000 0.239 385 N C -1.915 173.720 175.510 0.207 0.000 1.388 385 N CA -0.512 52.571 53.050 0.055 0.000 0.828 385 N CB 1.139 39.727 38.487 0.169 0.000 1.468 385 N HN 0.670 nan 8.380 nan 0.000 0.445 386 M N 1.509 121.246 119.600 0.229 0.000 2.080 386 M HA 0.424 4.903 4.480 -0.000 0.000 0.350 386 M C -1.636 174.834 176.300 0.284 0.000 1.173 386 M CA -0.436 54.998 55.300 0.224 0.000 1.052 386 M CB 0.551 33.259 32.600 0.180 0.000 1.577 386 M HN 0.502 nan 8.290 nan 0.000 0.455 387 W N 3.243 124.558 121.300 0.024 0.000 3.405 387 W HA 0.378 5.038 4.660 -0.000 0.000 0.329 387 W C -0.915 175.501 176.519 -0.172 0.000 1.142 387 W CA -0.603 56.696 57.345 -0.078 0.000 1.235 387 W CB 1.609 31.025 29.460 -0.074 0.000 1.341 387 W HN 0.535 nan 8.180 nan 0.000 0.481 388 S N 2.055 117.483 115.700 -0.455 0.000 2.575 388 S HA 0.006 4.475 4.470 -0.000 0.000 0.215 388 S C 1.437 175.571 174.600 -0.776 0.000 0.966 388 S CA 1.062 58.950 58.200 -0.519 0.000 0.911 388 S CB 0.002 63.053 63.200 -0.249 0.000 0.780 388 S HN 1.059 nan 8.310 nan 0.000 0.514 389 T N -1.119 112.457 114.554 -1.630 0.000 6.412 389 T HA -0.269 4.081 4.350 -0.000 0.000 0.279 389 T C 1.075 175.431 174.700 -0.574 0.000 2.177 389 T CA 1.988 63.159 62.100 -1.548 0.000 3.599 389 T CB -2.668 65.616 68.868 -0.974 0.000 1.259 389 T HN 0.554 nan 8.240 nan 0.000 1.146 390 T N -2.250 112.077 114.554 -0.379 0.000 3.039 390 T HA 0.357 4.706 4.350 -0.000 0.000 0.250 390 T C 0.873 175.526 174.700 -0.079 0.000 1.052 390 T CA 0.370 62.362 62.100 -0.180 0.000 1.125 390 T CB 0.207 68.972 68.868 -0.172 0.000 0.908 390 T HN 0.794 nan 8.240 nan 0.000 0.473 391 Q N -0.034 119.757 119.800 -0.015 0.000 2.286 391 Q HA 0.567 4.907 4.340 -0.000 0.000 0.250 391 Q C 0.518 176.644 176.000 0.209 0.000 1.021 391 Q CA -0.453 55.360 55.803 0.017 0.000 0.930 391 Q CB 1.588 30.251 28.738 -0.126 0.000 1.266 391 Q HN 0.455 nan 8.270 nan 0.000 0.491 392 G N -0.581 108.246 108.800 0.045 0.000 2.163 392 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.213 392 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.213 392 G C -0.148 174.739 174.900 -0.023 0.000 0.991 392 G CA -0.168 44.936 45.100 0.007 0.000 0.653 392 G HN 0.352 nan 8.290 nan 0.000 0.518 393 V N 1.261 121.157 119.914 -0.030 0.000 2.572 393 V HA 0.279 4.399 4.120 -0.000 0.000 0.291 393 V C -1.015 174.913 176.094 -0.277 0.000 1.039 393 V CA -0.613 61.554 62.300 -0.222 0.000 1.055 393 V CB 1.221 32.964 31.823 -0.132 0.000 0.969 393 V HN 0.104 nan 8.190 nan 0.000 0.482 394 P HA 0.089 nan 4.420 nan 0.000 0.271 394 P C -0.120 176.899 177.300 -0.468 0.000 1.601 394 P CA 0.367 63.175 63.100 -0.486 0.000 0.856 394 P CB -0.241 31.155 31.700 -0.506 0.000 1.820 395 L N -0.318 120.657 121.223 -0.413 0.000 2.456 395 L HA 0.227 4.567 4.340 -0.000 0.000 0.257 395 L C 1.116 177.767 176.870 -0.365 0.000 1.162 395 L CA -0.597 54.130 54.840 -0.188 0.000 0.808 395 L CB 0.299 42.455 42.059 0.162 0.000 1.136 395 L HN -0.076 nan 8.230 nan 0.000 0.466 396 D N 0.001 120.369 120.400 -0.054 0.000 2.416 396 D HA 0.016 4.656 4.640 -0.000 0.000 0.240 396 D C 0.762 177.205 176.300 0.238 0.000 1.250 396 D CA 0.285 54.303 54.000 0.030 0.000 0.967 396 D CB 0.075 40.954 40.800 0.132 0.000 1.059 396 D HN 0.289 nan 8.370 nan 0.000 0.512 397 Y N 1.294 121.805 120.300 0.352 0.000 2.483 397 Y HA -0.117 4.433 4.550 -0.000 0.000 0.291 397 Y C 2.074 178.191 175.900 0.361 0.000 1.143 397 Y CA 0.315 58.669 58.100 0.424 0.000 1.289 397 Y CB 0.199 38.837 38.460 0.298 0.000 0.983 397 Y HN 0.386 nan 8.280 nan 0.000 0.556 398 E N 0.127 120.572 120.200 0.409 0.000 2.152 398 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 398 E C 0.172 176.982 176.600 0.350 0.000 0.983 398 E CA 0.057 56.649 56.400 0.320 0.000 0.818 398 E CB -0.053 29.790 29.700 0.237 0.000 0.758 398 E HN 0.228 nan 8.360 nan 0.000 0.467 399 F N 1.232 121.335 119.950 0.256 0.000 2.538 399 F HA 0.046 4.573 4.527 -0.000 0.000 0.371 399 F C -0.435 175.538 175.800 0.288 0.000 1.087 399 F CA -0.366 57.787 58.000 0.254 0.000 1.250 399 F CB 0.296 39.427 39.000 0.217 0.000 1.110 399 F HN -0.134 nan 8.300 nan 0.000 0.570 400 Y N 8.087 128.059 120.300 -0.546 0.000 2.331 400 Y HA 0.484 5.034 4.550 -0.000 0.000 0.338 400 Y C -1.847 173.813 175.900 -0.399 0.000 0.976 400 Y CA -1.545 56.368 58.100 -0.312 0.000 1.137 400 Y CB 0.800 39.168 38.460 -0.153 0.000 1.172 400 Y HN 0.551 nan 8.280 nan 0.000 0.478 401 F N 8.918 128.285 119.950 -0.971 0.000 2.588 401 F HA 0.598 5.125 4.527 -0.000 0.000 0.318 401 F C -2.705 172.626 175.800 -0.781 0.000 1.155 401 F CA -2.568 54.970 58.000 -0.770 0.000 0.967 401 F CB 1.662 40.523 39.000 -0.233 0.000 1.236 401 F HN 0.385 nan 8.300 nan 0.000 0.455 402 P HA 0.290 nan 4.420 nan 0.000 0.270 402 P C -0.322 176.789 177.300 -0.315 0.000 1.223 402 P CA -0.070 62.554 63.100 -0.792 0.000 0.785 402 P CB 0.709 31.628 31.700 -1.300 0.000 0.923 403 G N -0.366 108.313 108.800 -0.201 0.000 2.552 403 G HA2 0.363 4.322 3.960 -0.000 0.000 0.318 403 G HA3 0.363 4.322 3.960 -0.000 0.000 0.318 403 G C -0.034 174.677 174.900 -0.315 0.000 1.240 403 G CA -0.564 44.420 45.100 -0.194 0.000 1.002 403 G HN 0.560 nan 8.290 nan 0.000 0.493 404 Y N -1.843 118.232 120.300 -0.374 0.000 2.373 404 Y HA 0.275 4.825 4.550 -0.000 0.000 0.293 404 Y C 2.374 177.953 175.900 -0.536 0.000 1.129 404 Y CA 0.768 58.543 58.100 -0.543 0.000 1.226 404 Y CB -0.665 37.157 38.460 -1.064 0.000 1.000 404 Y HN 0.331 nan 8.280 nan 0.000 0.549 405 A N 0.988 123.321 122.820 -0.811 0.000 2.216 405 A HA -0.075 4.245 4.320 -0.000 0.000 0.214 405 A C 1.551 178.924 177.584 -0.352 0.000 1.160 405 A CA 0.839 52.400 52.037 -0.793 0.000 0.725 405 A CB -0.736 17.646 19.000 -1.031 0.000 0.784 405 A HN 0.630 nan 8.150 nan 0.000 0.472 406 E N -0.861 119.224 120.200 -0.193 0.000 2.359 406 E HA 0.278 4.628 4.350 -0.000 0.000 0.187 406 E C 1.208 177.907 176.600 0.165 0.000 1.081 406 E CA 0.159 56.571 56.400 0.020 0.000 0.929 406 E CB -0.324 29.379 29.700 0.005 0.000 1.086 406 E HN 0.670 nan 8.360 nan 0.000 0.462 407 G N 0.862 109.768 108.800 0.178 0.000 2.245 407 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.264 407 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.264 407 G C 0.958 176.069 174.900 0.352 0.000 0.985 407 G CA 0.213 45.496 45.100 0.305 0.000 0.625 407 G HN 0.712 nan 8.290 nan 0.000 0.536 408 G N 0.737 109.768 108.800 0.385 0.000 2.690 408 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.334 408 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.334 408 G C 1.311 176.503 174.900 0.487 0.000 1.250 408 G CA 2.460 47.863 45.100 0.505 0.000 0.994 408 G HN 2.019 nan 8.290 nan 0.000 0.549 409 I N -0.069 120.617 120.570 0.193 0.000 3.810 409 I HA 0.418 4.587 4.170 -0.000 0.000 0.322 409 I C 2.041 178.220 176.117 0.103 0.000 1.288 409 I CA 1.232 62.521 61.300 -0.019 0.000 1.143 409 I CB 0.298 37.794 38.000 -0.839 0.000 1.012 409 I HN 0.444 nan 8.210 nan 0.000 0.423 410 S N 0.669 116.494 115.700 0.208 0.000 2.427 410 S HA 0.279 4.749 4.470 -0.000 0.000 0.224 410 S C 1.858 176.489 174.600 0.052 0.000 1.047 410 S CA 0.603 58.888 58.200 0.142 0.000 0.953 410 S CB -0.390 62.929 63.200 0.198 0.000 0.824 410 S HN 0.747 nan 8.310 nan 0.000 0.502 411 G N 1.877 110.763 108.800 0.143 0.000 2.153 411 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.252 411 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.252 411 G C -0.189 174.626 174.900 -0.142 0.000 0.994 411 G CA 0.311 45.378 45.100 -0.055 0.000 0.698 411 G HN 0.652 nan 8.290 nan 0.000 0.521 412 D N 0.263 120.624 120.400 -0.063 0.000 2.398 412 D HA 0.252 4.892 4.640 -0.000 0.000 0.250 412 D C 1.607 177.849 176.300 -0.097 0.000 1.287 412 D CA 0.011 53.928 54.000 -0.138 0.000 0.992 412 D CB -0.343 40.316 40.800 -0.234 0.000 1.071 412 D HN 0.224 nan 8.370 nan 0.000 0.514 413 C N 2.631 121.860 119.300 -0.118 0.000 2.466 413 C HA -0.048 4.412 4.460 -0.000 0.000 0.283 413 C C 2.074 177.047 174.990 -0.029 0.000 1.472 413 C CA 0.192 59.168 59.018 -0.070 0.000 1.765 413 C CB -0.879 26.797 27.740 -0.107 0.000 1.724 413 C HN 0.708 nan 8.230 nan 0.000 0.560 414 E N 0.243 120.394 120.200 -0.081 0.000 2.447 414 E HA 0.056 4.406 4.350 -0.000 0.000 0.204 414 E C 1.168 177.715 176.600 -0.088 0.000 0.977 414 E CA 0.308 56.666 56.400 -0.071 0.000 0.950 414 E CB 0.122 29.756 29.700 -0.110 0.000 0.975 414 E HN 0.547 nan 8.360 nan 0.000 0.496 415 N N 0.469 119.075 118.700 -0.156 0.000 2.238 415 N HA 0.081 4.821 4.740 -0.000 0.000 0.235 415 N C -0.819 174.780 175.510 0.147 0.000 1.209 415 N CA 0.388 53.341 53.050 -0.162 0.000 0.879 415 N CB 1.560 39.621 38.487 -0.710 0.000 1.136 415 N HN 0.095 nan 8.380 nan 0.000 0.517 416 S N -1.443 114.361 115.700 0.172 0.000 2.643 416 S HA 0.607 5.077 4.470 -0.000 0.000 0.270 416 S C -0.441 174.260 174.600 0.169 0.000 1.166 416 S CA -0.681 57.681 58.200 0.271 0.000 0.815 416 S CB 1.592 64.981 63.200 0.315 0.000 1.139 416 S HN -0.043 nan 8.310 nan 0.000 0.472 417 A N 0.020 122.918 122.820 0.130 0.000 2.462 417 A HA 0.719 5.039 4.320 -0.000 0.000 0.261 417 A C 1.691 179.418 177.584 0.239 0.000 1.323 417 A CA 0.356 52.513 52.037 0.200 0.000 0.913 417 A CB -1.283 17.848 19.000 0.219 0.000 1.028 417 A HN 1.427 nan 8.150 nan 0.000 0.511 418 A N -0.197 122.729 122.820 0.178 0.000 2.019 418 A HA 0.066 4.386 4.320 -0.000 0.000 0.219 418 A C 2.177 179.780 177.584 0.032 0.000 1.164 418 A CA 1.673 53.809 52.037 0.164 0.000 0.644 418 A CB -0.852 18.229 19.000 0.136 0.000 0.805 418 A HN 0.790 nan 8.150 nan 0.000 0.449 419 G N -1.749 107.071 108.800 0.034 0.000 2.498 419 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.219 419 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.219 419 G C 1.277 176.337 174.900 0.266 0.000 1.119 419 G CA 0.951 46.066 45.100 0.025 0.000 0.766 419 G HN 0.502 nan 8.290 nan 0.000 0.552 420 F N 0.242 120.231 119.950 0.064 0.000 2.128 420 F HA 0.191 4.718 4.527 -0.000 0.000 0.295 420 F C 2.236 178.017 175.800 -0.031 0.000 1.100 420 F CA 2.034 59.984 58.000 -0.084 0.000 1.260 420 F CB 0.269 38.997 39.000 -0.453 0.000 1.009 420 F HN 0.131 nan 8.300 nan 0.000 0.476 421 K N -3.023 117.411 120.400 0.057 0.000 2.929 421 K HA -0.028 4.292 4.320 -0.000 0.000 0.188 421 K C 1.806 178.490 176.600 0.140 0.000 1.654 421 K CA 0.126 56.411 56.287 -0.003 0.000 1.349 421 K CB -0.776 31.523 32.500 -0.334 0.000 1.879 421 K HN 0.083 nan 8.250 nan 0.000 0.626 422 F N 2.781 122.751 119.950 0.035 0.000 2.069 422 F HA -0.092 4.435 4.527 -0.000 0.000 0.298 422 F C 2.029 177.767 175.800 -0.103 0.000 1.113 422 F CA 2.082 60.083 58.000 0.002 0.000 1.214 422 F CB -0.560 38.460 39.000 0.033 0.000 0.978 422 F HN 0.177 nan 8.300 nan 0.000 0.474 423 A N -0.304 122.372 122.820 -0.241 0.000 1.927 423 A HA -0.277 4.043 4.320 -0.000 0.000 0.220 423 A C 2.126 179.475 177.584 -0.391 0.000 1.185 423 A CA 2.034 53.861 52.037 -0.350 0.000 0.639 423 A CB -1.853 16.789 19.000 -0.596 0.000 0.820 423 A HN 0.662 nan 8.150 nan 0.000 0.451 424 W N -0.749 120.485 121.300 -0.110 0.000 2.425 424 W HA -0.021 4.639 4.660 -0.000 0.000 0.277 424 W C 2.500 178.891 176.519 -0.212 0.000 1.231 424 W CA 0.901 58.157 57.345 -0.148 0.000 1.248 424 W CB -0.113 29.238 29.460 -0.182 0.000 1.117 424 W HN 0.227 nan 8.180 nan 0.000 0.568 425 R N -0.741 119.674 120.500 -0.142 0.000 2.128 425 R HA 0.050 4.390 4.340 -0.000 0.000 0.211 425 R C 2.056 178.081 176.300 -0.458 0.000 1.067 425 R CA 1.027 56.980 56.100 -0.245 0.000 1.010 425 R CB -0.491 29.694 30.300 -0.191 0.000 0.922 425 R HN 0.130 nan 8.270 nan 0.000 0.457 426 M N -0.035 119.072 119.600 -0.822 0.000 2.288 426 M HA 0.064 4.543 4.480 -0.000 0.000 0.266 426 M C -0.487 175.194 176.300 -1.032 0.000 1.072 426 M CA 1.553 56.189 55.300 -1.106 0.000 1.132 426 M CB 0.473 32.026 32.600 -1.745 0.000 1.386 426 M HN -0.174 nan 8.290 nan 0.000 0.432 427 F N 0.148 119.898 119.950 -0.333 0.000 2.495 427 F HA 0.300 4.827 4.527 -0.000 0.000 0.327 427 F C 0.494 176.151 175.800 -0.238 0.000 1.103 427 F CA -1.074 56.763 58.000 -0.273 0.000 0.949 427 F CB 1.047 39.890 39.000 -0.262 0.000 1.142 427 F HN 0.134 nan 8.300 nan 0.000 0.457 428 D N -0.429 119.901 120.400 -0.116 0.000 2.398 428 D HA 0.190 4.830 4.640 -0.000 0.000 0.210 428 D C 1.508 177.718 176.300 -0.150 0.000 1.094 428 D CA 0.225 54.147 54.000 -0.130 0.000 0.839 428 D CB 0.339 41.049 40.800 -0.151 0.000 0.963 428 D HN 0.785 nan 8.370 nan 0.000 0.506 429 G N 0.513 109.158 108.800 -0.259 0.000 2.225 429 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.267 429 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.267 429 G C 0.795 175.612 174.900 -0.138 0.000 1.024 429 G CA 1.037 46.027 45.100 -0.182 0.000 0.784 429 G HN 0.492 nan 8.290 nan 0.000 0.507 430 K N -2.406 117.778 120.400 -0.360 0.000 2.757 430 K HA 0.134 4.454 4.320 -0.000 0.000 0.201 430 K C 2.337 178.910 176.600 -0.044 0.000 1.495 430 K CA 0.842 57.084 56.287 -0.075 0.000 1.090 430 K CB 0.071 32.538 32.500 -0.055 0.000 1.796 430 K HN 0.367 nan 8.250 nan 0.000 0.523 431 T N -1.828 112.598 114.554 -0.213 0.000 2.969 431 T HA 0.077 4.426 4.350 -0.000 0.000 0.250 431 T C 0.669 175.311 174.700 -0.098 0.000 1.021 431 T CA 0.164 62.226 62.100 -0.064 0.000 1.003 431 T CB 0.642 69.465 68.868 -0.075 0.000 1.040 431 T HN 0.037 nan 8.240 nan 0.000 0.492 432 T N 1.011 115.349 114.554 -0.360 0.000 2.848 432 T HA 0.665 5.015 4.350 -0.000 0.000 0.285 432 T C -1.891 172.650 174.700 -0.264 0.000 0.995 432 T CA -0.787 61.242 62.100 -0.118 0.000 0.970 432 T CB 0.700 69.535 68.868 -0.055 0.000 0.976 432 T HN 0.161 nan 8.240 nan 0.000 0.441 433 F N 4.130 124.254 119.950 0.290 0.000 2.577 433 F HA 0.641 5.167 4.527 -0.000 0.000 0.318 433 F C -2.131 173.534 175.800 -0.224 0.000 1.065 433 F CA -2.353 55.685 58.000 0.063 0.000 0.929 433 F CB 1.496 40.497 39.000 0.001 0.000 1.237 433 F HN 0.377 nan 8.300 nan 0.000 0.468 434 P HA 0.169 nan 4.420 nan 0.000 0.275 434 P C -0.912 176.248 177.300 -0.233 0.000 1.266 434 P CA -0.528 62.125 63.100 -0.746 0.000 0.793 434 P CB 0.807 32.044 31.700 -0.770 0.000 1.074 435 S N 0.377 115.966 115.700 -0.185 0.000 2.399 435 S HA 0.483 4.953 4.470 -0.000 0.000 0.215 435 S C -2.684 171.842 174.600 -0.123 0.000 1.456 435 S CA -1.710 56.438 58.200 -0.086 0.000 1.199 435 S CB -0.564 62.630 63.200 -0.011 0.000 1.063 435 S HN 0.130 nan 8.310 nan 0.000 0.476 436 P HA 0.297 nan 4.420 nan 0.000 0.274 436 P C -1.031 176.194 177.300 -0.125 0.000 1.237 436 P CA -0.389 62.629 63.100 -0.138 0.000 0.793 436 P CB 0.916 32.546 31.700 -0.116 0.000 0.977 437 S N 1.310 116.922 115.700 -0.147 0.000 2.756 437 S HA 0.243 4.712 4.470 -0.000 0.000 0.303 437 S C 0.573 175.100 174.600 -0.122 0.000 1.135 437 S CA -0.687 57.432 58.200 -0.135 0.000 1.066 437 S CB -0.288 62.798 63.200 -0.189 0.000 1.008 437 S HN 0.431 nan 8.310 nan 0.000 0.482 438 N N 5.661 124.315 118.700 -0.076 0.000 2.370 438 N HA 0.100 4.840 4.740 -0.000 0.000 0.198 438 N C 0.705 176.188 175.510 -0.044 0.000 1.156 438 N CA 0.170 53.193 53.050 -0.046 0.000 0.839 438 N CB -0.102 38.381 38.487 -0.007 0.000 0.989 438 N HN 0.619 nan 8.380 nan 0.000 0.468 439 L N -1.147 120.007 121.223 -0.115 0.000 2.600 439 L HA 0.210 4.550 4.340 -0.000 0.000 0.213 439 L C 0.457 177.173 176.870 -0.258 0.000 1.045 439 L CA -0.075 54.657 54.840 -0.180 0.000 0.863 439 L CB -0.083 41.859 42.059 -0.194 0.000 1.189 439 L HN -0.008 nan 8.230 nan 0.000 0.484 440 N N 1.363 119.867 118.700 -0.327 0.000 3.178 440 N HA 0.052 4.792 4.740 -0.000 0.000 0.300 440 N C -0.619 174.741 175.510 -0.249 0.000 1.242 440 N CA 0.429 53.273 53.050 -0.344 0.000 1.192 440 N CB -0.041 38.139 38.487 -0.512 0.000 1.463 440 N HN 0.071 nan 8.380 nan 0.000 0.539 441 T N -1.170 113.280 114.554 -0.173 0.000 2.821 441 T HA 0.248 4.598 4.350 -0.000 0.000 0.306 441 T C 0.907 175.572 174.700 -0.057 0.000 1.313 441 T CA -0.493 61.532 62.100 -0.126 0.000 1.012 441 T CB 0.810 69.620 68.868 -0.096 0.000 1.298 441 T HN 0.097 nan 8.240 nan 0.000 0.502 442 S N 1.214 116.899 115.700 -0.026 0.000 2.387 442 S HA -0.080 4.389 4.470 -0.000 0.000 0.230 442 S C 2.058 176.762 174.600 0.175 0.000 1.035 442 S CA 1.620 59.896 58.200 0.127 0.000 1.014 442 S CB -0.430 62.792 63.200 0.037 0.000 0.836 442 S HN 0.816 nan 8.310 nan 0.000 0.466 443 A N 0.764 123.632 122.820 0.080 0.000 2.218 443 A HA 0.457 4.777 4.320 -0.000 0.000 0.209 443 A C 1.482 179.153 177.584 0.145 0.000 1.168 443 A CA 0.777 52.880 52.037 0.111 0.000 0.804 443 A CB -0.489 18.555 19.000 0.074 0.000 0.834 443 A HN 0.480 nan 8.150 nan 0.000 0.482 444 G N -0.801 108.031 108.800 0.053 0.000 3.286 444 G HA2 0.433 4.393 3.960 -0.000 0.000 0.173 444 G HA3 0.433 4.393 3.960 -0.000 0.000 0.173 444 G C -0.070 174.648 174.900 -0.303 0.000 1.704 444 G CA 0.156 45.184 45.100 -0.122 0.000 1.041 444 G HN 0.460 nan 8.290 nan 0.000 0.561 445 Q N -0.669 118.896 119.800 -0.392 0.000 2.309 445 Q HA 0.444 4.784 4.340 -0.000 0.000 0.273 445 Q C -1.686 174.326 176.000 0.020 0.000 1.040 445 Q CA -0.928 54.758 55.803 -0.195 0.000 0.834 445 Q CB 1.948 30.437 28.738 -0.415 0.000 1.345 445 Q HN 0.925 nan 8.270 nan 0.000 0.414 446 H N 2.867 121.974 119.070 0.062 0.000 3.014 446 H HA 0.613 5.169 4.556 -0.000 0.000 0.337 446 H C -1.476 173.956 175.328 0.175 0.000 1.320 446 H CA -0.737 55.345 56.048 0.057 0.000 1.128 446 H CB 1.081 30.866 29.762 0.037 0.000 1.862 446 H HN 0.759 nan 8.280 nan 0.000 0.536 447 I N -1.603 118.797 120.570 -0.284 0.000 2.892 447 I HA 0.621 4.791 4.170 -0.000 0.000 0.306 447 I C -3.153 172.615 176.117 -0.582 0.000 1.078 447 I CA -2.895 58.027 61.300 -0.631 0.000 1.032 447 I CB 2.830 40.433 38.000 -0.662 0.000 1.229 447 I HN 0.171 nan 8.210 nan 0.000 0.435 448 P HA 0.234 nan 4.420 nan 0.000 0.276 448 P C 0.111 177.201 177.300 -0.350 0.000 1.230 448 P CA -0.373 62.423 63.100 -0.506 0.000 0.776 448 P CB 1.078 32.400 31.700 -0.630 0.000 0.888 449 R N 3.654 124.060 120.500 -0.157 0.000 2.091 449 R HA -0.129 4.211 4.340 -0.000 0.000 0.238 449 R C 1.513 177.718 176.300 -0.158 0.000 1.136 449 R CA 1.627 57.650 56.100 -0.129 0.000 0.959 449 R CB -0.771 29.509 30.300 -0.033 0.000 0.856 449 R HN 0.427 nan 8.270 nan 0.000 0.437 450 L N 0.357 121.510 121.223 -0.116 0.000 2.450 450 L HA -0.096 4.244 4.340 -0.000 0.000 0.224 450 L C 1.211 177.904 176.870 -0.294 0.000 1.149 450 L CA 0.989 55.769 54.840 -0.099 0.000 0.816 450 L CB -0.092 41.974 42.059 0.012 0.000 0.932 450 L HN 0.106 nan 8.230 nan 0.000 0.449 451 K N -0.449 119.659 120.400 -0.487 0.000 2.592 451 K HA 0.304 4.624 4.320 -0.000 0.000 0.203 451 K C 1.378 177.509 176.600 -0.781 0.000 1.070 451 K CA -0.050 55.770 56.287 -0.779 0.000 1.062 451 K CB 0.786 32.523 32.500 -1.271 0.000 0.814 451 K HN 0.198 nan 8.250 nan 0.000 0.502 452 I N 1.687 121.874 120.570 -0.638 0.000 2.163 452 I HA -0.228 3.942 4.170 -0.000 0.000 0.243 452 I C -0.851 174.880 176.117 -0.643 0.000 1.085 452 I CA 1.543 62.476 61.300 -0.611 0.000 1.347 452 I CB -1.081 36.655 38.000 -0.440 0.000 1.044 452 I HN 0.038 nan 8.210 nan 0.000 0.408 453 P HA -0.164 nan 4.420 nan 0.000 0.215 453 P C 1.252 178.253 177.300 -0.498 0.000 1.153 453 P CA 1.388 64.100 63.100 -0.647 0.000 0.853 453 P CB 0.037 31.266 31.700 -0.786 0.000 0.788 454 E N -1.341 118.547 120.200 -0.521 0.000 2.150 454 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 454 E C 2.066 178.480 176.600 -0.310 0.000 0.985 454 E CA 0.898 57.066 56.400 -0.387 0.000 0.814 454 E CB -1.430 28.003 29.700 -0.445 0.000 0.752 454 E HN 0.238 nan 8.360 nan 0.000 0.466 455 C N 0.134 119.173 119.300 -0.435 0.000 2.446 455 C HA 0.008 4.468 4.460 -0.000 0.000 0.277 455 C C 2.515 177.361 174.990 -0.240 0.000 1.275 455 C CA 0.188 59.002 59.018 -0.340 0.000 1.727 455 C CB -0.784 26.507 27.740 -0.749 0.000 2.010 455 C HN 0.375 nan 8.230 nan 0.000 0.486 456 I N 0.696 121.050 120.570 -0.360 0.000 2.133 456 I HA -0.238 3.932 4.170 -0.000 0.000 0.238 456 I C 2.482 178.303 176.117 -0.494 0.000 1.074 456 I CA 1.791 62.888 61.300 -0.338 0.000 1.342 456 I CB -0.386 37.404 38.000 -0.350 0.000 1.053 456 I HN 0.313 nan 8.210 nan 0.000 0.404 457 M N -0.064 119.224 119.600 -0.519 0.000 2.349 457 M HA 0.023 4.503 4.480 -0.000 0.000 0.266 457 M C 2.161 178.280 176.300 -0.301 0.000 1.076 457 M CA 1.511 56.429 55.300 -0.636 0.000 1.126 457 M CB -0.504 31.920 32.600 -0.294 0.000 1.392 457 M HN 0.308 nan 8.290 nan 0.000 0.440 458 G N -0.591 108.107 108.800 -0.169 0.000 2.545 458 G HA2 0.261 4.221 3.960 -0.000 0.000 0.212 458 G HA3 0.261 4.221 3.960 -0.000 0.000 0.212 458 G C 1.241 176.159 174.900 0.029 0.000 1.144 458 G CA 0.592 45.673 45.100 -0.032 0.000 0.813 458 G HN 0.577 nan 8.290 nan 0.000 0.531 459 G N -0.759 108.074 108.800 0.055 0.000 2.162 459 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.260 459 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.260 459 G C 0.139 175.157 174.900 0.198 0.000 0.976 459 G CA 0.952 46.141 45.100 0.147 0.000 0.655 459 G HN 0.846 nan 8.290 nan 0.000 0.533 460 K N -1.379 119.190 120.400 0.281 0.000 2.572 460 K HA 0.703 5.023 4.320 -0.000 0.000 0.263 460 K C -1.908 174.982 176.600 0.483 0.000 0.932 460 K CA -0.949 55.527 56.287 0.315 0.000 0.838 460 K CB 1.382 33.974 32.500 0.153 0.000 1.366 460 K HN 0.300 nan 8.250 nan 0.000 0.425 461 F N 1.363 121.523 119.950 0.349 0.000 2.713 461 F HA 0.450 4.976 4.527 -0.000 0.000 0.311 461 F C -1.751 174.344 175.800 0.492 0.000 1.141 461 F CA -0.388 57.829 58.000 0.362 0.000 0.939 461 F CB 2.169 41.346 39.000 0.294 0.000 1.325 461 F HN 0.423 nan 8.300 nan 0.000 0.453 462 Q N 2.943 122.631 119.800 -0.187 0.000 2.309 462 Q HA 0.479 4.819 4.340 -0.000 0.000 0.273 462 Q C -1.932 174.132 176.000 0.106 0.000 1.040 462 Q CA -0.389 55.415 55.803 0.002 0.000 0.834 462 Q CB 2.922 31.607 28.738 -0.089 0.000 1.345 462 Q HN 0.808 nan 8.270 nan 0.000 0.414 463 W N 0.825 122.183 121.300 0.098 0.000 2.803 463 W HA 0.722 5.382 4.660 -0.000 0.000 0.424 463 W C -1.594 175.138 176.519 0.354 0.000 1.092 463 W CA -0.729 56.752 57.345 0.226 0.000 1.184 463 W CB 0.436 30.126 29.460 0.383 0.000 1.470 463 W HN 0.329 nan 8.180 nan 0.000 0.598 464 S N 1.239 117.285 115.700 0.577 0.000 2.478 464 S HA 0.733 5.203 4.470 -0.000 0.000 0.312 464 S C -0.013 175.058 174.600 0.785 0.000 1.094 464 S CA 0.142 58.660 58.200 0.530 0.000 1.081 464 S CB 0.832 64.300 63.200 0.446 0.000 1.007 464 S HN 1.653 nan 8.310 nan 0.000 0.475 465 G N 2.261 111.554 108.800 0.821 0.000 2.716 465 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.686 465 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.686 465 G C -0.876 174.360 174.900 0.559 0.000 1.337 465 G CA -0.764 44.790 45.100 0.756 0.000 0.829 465 G HN 0.731 nan 8.290 nan 0.000 0.599 466 K N 1.474 122.009 120.400 0.226 0.000 2.425 466 K HA 0.582 4.901 4.320 -0.000 0.000 0.259 466 K C 1.418 178.056 176.600 0.062 0.000 0.978 466 K CA 0.544 56.778 56.287 -0.089 0.000 0.883 466 K CB 0.558 32.684 32.500 -0.623 0.000 1.110 466 K HN 2.362 nan 8.250 nan 0.000 0.436 467 G N 3.550 112.460 108.800 0.183 0.000 2.672 467 G HA2 -0.340 3.619 3.960 -0.000 0.000 0.324 467 G HA3 -0.340 3.619 3.960 -0.000 0.000 0.324 467 G C -0.430 174.704 174.900 0.390 0.000 1.286 467 G CA 0.259 45.509 45.100 0.251 0.000 1.004 467 G HN 0.552 nan 8.290 nan 0.000 0.548 468 F N 2.692 122.649 119.950 0.011 0.000 2.462 468 F HA 0.600 5.127 4.527 -0.000 0.000 0.354 468 F C 1.228 177.055 175.800 0.045 0.000 1.192 468 F CA -0.971 56.992 58.000 -0.062 0.000 1.173 468 F CB 0.464 39.418 39.000 -0.078 0.000 1.402 468 F HN 0.675 nan 8.300 nan 0.000 0.595 469 A N 2.361 125.353 122.820 0.287 0.000 3.063 469 A HA 0.455 4.774 4.320 -0.000 0.000 0.263 469 A C 1.601 179.235 177.584 0.085 0.000 1.736 469 A CA 0.263 52.426 52.037 0.211 0.000 1.408 469 A CB -0.974 18.128 19.000 0.171 0.000 1.108 469 A HN 0.805 nan 8.150 nan 0.000 0.621 470 G N -0.035 108.835 108.800 0.116 0.000 3.042 470 G HA2 0.233 4.193 3.960 -0.000 0.000 0.212 470 G HA3 0.233 4.193 3.960 -0.000 0.000 0.212 470 G C 1.154 176.083 174.900 0.049 0.000 1.166 470 G CA 0.750 45.871 45.100 0.035 0.000 0.767 470 G HN 0.688 nan 8.290 nan 0.000 0.546 471 G N -0.067 108.785 108.800 0.088 0.000 2.459 471 G HA2 0.032 3.992 3.960 -0.000 0.000 0.217 471 G HA3 0.032 3.992 3.960 -0.000 0.000 0.217 471 G C 0.392 175.075 174.900 -0.362 0.000 1.183 471 G CA 1.213 46.310 45.100 -0.005 0.000 0.776 471 G HN 0.470 nan 8.290 nan 0.000 0.552 472 D N -3.080 116.818 120.400 -0.838 0.000 2.615 472 D HA 0.302 4.942 4.640 -0.000 0.000 0.267 472 D C 1.373 177.438 176.300 -0.391 0.000 1.236 472 D CA -0.785 52.894 54.000 -0.534 0.000 0.839 472 D CB 0.559 41.028 40.800 -0.551 0.000 1.380 472 D HN -0.081 nan 8.370 nan 0.000 0.433 473 I N 0.194 120.625 120.570 -0.231 0.000 2.194 473 I HA -0.233 3.936 4.170 -0.000 0.000 0.246 473 I C 1.457 177.481 176.117 -0.155 0.000 1.093 473 I CA 1.202 62.365 61.300 -0.228 0.000 1.355 473 I CB -0.162 37.762 38.000 -0.127 0.000 1.046 473 I HN 0.195 nan 8.210 nan 0.000 0.413 474 S N -1.387 114.287 115.700 -0.044 0.000 2.575 474 S HA 0.035 4.505 4.470 -0.000 0.000 0.215 474 S C 1.441 176.129 174.600 0.146 0.000 0.966 474 S CA -0.142 58.089 58.200 0.052 0.000 0.911 474 S CB -0.423 62.818 63.200 0.067 0.000 0.780 474 S HN 0.498 nan 8.310 nan 0.000 0.514 475 H N 2.265 121.336 119.070 0.002 0.000 2.387 475 H HA -0.136 4.420 4.556 -0.000 0.000 0.299 475 H C 2.388 177.784 175.328 0.114 0.000 1.090 475 H CA 1.386 57.468 56.048 0.055 0.000 1.332 475 H CB 0.050 29.836 29.762 0.041 0.000 1.386 475 H HN 0.600 nan 8.280 nan 0.000 0.516 476 Q N 0.973 120.876 119.800 0.172 0.000 2.364 476 Q HA -0.086 4.254 4.340 -0.000 0.000 0.207 476 Q C 1.666 177.830 176.000 0.274 0.000 0.970 476 Q CA 0.956 56.881 55.803 0.203 0.000 0.888 476 Q CB -0.133 28.584 28.738 -0.034 0.000 0.951 476 Q HN 0.504 nan 8.270 nan 0.000 0.469 477 L N 0.089 121.355 121.223 0.072 0.000 2.509 477 L HA 0.107 4.446 4.340 -0.000 0.000 0.222 477 L C 1.396 178.226 176.870 -0.067 0.000 1.123 477 L CA -0.259 54.468 54.840 -0.189 0.000 0.856 477 L CB -0.466 41.248 42.059 -0.575 0.000 0.985 477 L HN 0.358 nan 8.230 nan 0.000 0.456 478 H N 2.179 121.244 119.070 -0.009 0.000 2.972 478 H HA 0.028 4.584 4.556 -0.000 0.000 0.343 478 H C -0.239 174.975 175.328 -0.190 0.000 1.054 478 H CA 0.478 56.449 56.048 -0.128 0.000 1.412 478 H CB 0.788 30.461 29.762 -0.149 0.000 1.385 478 H HN 0.087 nan 8.280 nan 0.000 0.600 479 Q N 4.482 123.892 119.800 -0.650 0.000 2.257 479 Q HA 0.222 4.562 4.340 -0.000 0.000 0.255 479 Q C -0.962 174.657 176.000 -0.635 0.000 0.920 479 Q CA -0.334 55.219 55.803 -0.417 0.000 0.927 479 Q CB 1.251 29.832 28.738 -0.261 0.000 1.229 479 Q HN 0.495 nan 8.270 nan 0.000 0.433 480 Y N -0.062 119.987 120.300 -0.418 0.000 2.576 480 Y HA 0.393 4.943 4.550 -0.000 0.000 0.346 480 Y C 0.343 175.686 175.900 -0.928 0.000 1.018 480 Y CA -0.976 56.729 58.100 -0.659 0.000 1.050 480 Y CB 1.922 39.853 38.460 -0.881 0.000 1.280 480 Y HN 0.513 nan 8.280 nan 0.000 0.474 481 E N 0.620 120.558 120.200 -0.436 0.000 2.416 481 E HA 0.558 4.908 4.350 -0.000 0.000 0.273 481 E C -2.178 174.507 176.600 0.143 0.000 0.935 481 E CA -1.145 55.147 56.400 -0.180 0.000 0.784 481 E CB 3.193 32.868 29.700 -0.041 0.000 1.301 481 E HN 0.586 nan 8.360 nan 0.000 0.454 482 Y N 1.323 121.782 120.300 0.265 0.000 2.433 482 Y HA 0.396 4.946 4.550 -0.000 0.000 0.337 482 Y C -2.849 173.173 175.900 0.203 0.000 1.026 482 Y CA -2.311 55.969 58.100 0.300 0.000 1.037 482 Y CB 2.274 40.995 38.460 0.435 0.000 1.245 482 Y HN 0.404 nan 8.280 nan 0.000 0.443 483 P HA 0.222 nan 4.420 nan 0.000 0.271 483 P C -0.683 176.600 177.300 -0.028 0.000 1.216 483 P CA -0.032 62.740 63.100 -0.546 0.000 0.776 483 P CB 1.195 32.613 31.700 -0.470 0.000 0.881 484 A N 5.235 128.146 122.820 0.151 0.000 2.483 484 A HA 0.297 4.617 4.320 -0.000 0.000 0.238 484 A C -2.001 175.739 177.584 0.260 0.000 1.070 484 A CA -1.196 50.976 52.037 0.226 0.000 0.770 484 A CB -1.509 17.640 19.000 0.247 0.000 1.008 484 A HN 0.417 nan 8.150 nan 0.000 0.497 485 P HA 0.111 nan 4.420 nan 0.000 0.257 485 P C 1.104 178.450 177.300 0.076 0.000 1.162 485 P CA 2.258 65.424 63.100 0.110 0.000 0.762 485 P CB 0.279 32.030 31.700 0.084 0.000 0.753 486 G N 1.399 110.189 108.800 -0.016 0.000 2.205 486 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.261 486 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.261 486 G C -0.032 174.716 174.900 -0.253 0.000 0.980 486 G CA -0.200 44.806 45.100 -0.157 0.000 0.632 486 G HN 0.451 nan 8.290 nan 0.000 0.533 487 Y N 0.615 120.937 120.300 0.036 0.000 2.480 487 Y HA 0.694 5.244 4.550 -0.000 0.000 0.323 487 Y C 0.979 176.900 175.900 0.035 0.000 1.267 487 Y CA 0.001 58.132 58.100 0.053 0.000 1.336 487 Y CB 1.461 39.966 38.460 0.075 0.000 1.361 487 Y HN 0.169 nan 8.280 nan 0.000 0.518 488 S N 0.426 116.283 115.700 0.262 0.000 2.617 488 S HA 0.399 4.869 4.470 -0.000 0.000 0.283 488 S C -0.638 174.029 174.600 0.111 0.000 1.189 488 S CA -0.910 57.380 58.200 0.151 0.000 1.036 488 S CB 0.449 63.765 63.200 0.194 0.000 1.014 488 S HN 0.535 nan 8.310 nan 0.000 0.522 489 K N 2.141 122.551 120.400 0.016 0.000 2.180 489 K HA 0.277 4.597 4.320 -0.000 0.000 0.251 489 K C 0.009 176.689 176.600 0.133 0.000 1.014 489 K CA -0.613 55.712 56.287 0.063 0.000 0.913 489 K CB 0.238 32.733 32.500 -0.009 0.000 1.008 489 K HN 0.498 nan 8.250 nan 0.000 0.490 490 I N 2.605 123.308 120.570 0.222 0.000 2.692 490 I HA -0.076 4.094 4.170 -0.000 0.000 0.284 490 I C 1.197 177.356 176.117 0.068 0.000 1.159 490 I CA 0.740 62.108 61.300 0.113 0.000 1.423 490 I CB 0.403 38.408 38.000 0.008 0.000 1.380 490 I HN 0.637 nan 8.210 nan 0.000 0.580 491 K N 4.626 125.086 120.400 0.099 0.000 2.511 491 K HA 0.316 4.636 4.320 -0.000 0.000 0.206 491 K C 0.075 176.809 176.600 0.224 0.000 1.333 491 K CA 0.295 56.650 56.287 0.114 0.000 0.957 491 K CB 1.136 33.677 32.500 0.069 0.000 1.172 491 K HN 0.592 nan 8.250 nan 0.000 0.547 492 M N 0.108 119.865 119.600 0.261 0.000 2.518 492 M HA 0.428 4.908 4.480 -0.000 0.000 0.300 492 M C -1.868 174.658 176.300 0.376 0.000 1.175 492 M CA -0.724 54.783 55.300 0.345 0.000 0.890 492 M CB 2.374 35.222 32.600 0.413 0.000 1.710 492 M HN -0.021 nan 8.290 nan 0.000 0.453 493 F N 5.212 125.255 119.950 0.155 0.000 2.553 493 F HA 0.397 4.924 4.527 -0.000 0.000 0.335 493 F C -1.792 174.121 175.800 0.188 0.000 1.148 493 F CA -0.682 57.422 58.000 0.172 0.000 0.963 493 F CB 1.106 40.178 39.000 0.119 0.000 1.217 493 F HN 0.699 nan 8.300 nan 0.000 0.441 494 W N 9.081 130.663 121.300 0.469 0.000 2.317 494 W HA 0.346 5.006 4.660 -0.000 0.000 0.327 494 W C -1.130 175.484 176.519 0.158 0.000 1.036 494 W CA -0.949 56.515 57.345 0.199 0.000 1.419 494 W CB 0.962 30.565 29.460 0.238 0.000 1.253 494 W HN 0.510 nan 8.180 nan 0.000 0.392 495 K N 4.453 124.972 120.400 0.199 0.000 2.143 495 K HA 0.142 4.462 4.320 -0.000 0.000 0.272 495 K C -1.379 175.401 176.600 0.302 0.000 1.001 495 K CA -0.797 55.529 56.287 0.064 0.000 0.915 495 K CB 2.049 34.347 32.500 -0.336 0.000 1.047 495 K HN 0.326 nan 8.250 nan 0.000 0.458 496 Y N 1.498 121.860 120.300 0.102 0.000 2.464 496 Y HA 0.327 4.877 4.550 -0.000 0.000 0.326 496 Y C 0.127 176.001 175.900 -0.043 0.000 0.969 496 Y CA 0.393 58.539 58.100 0.077 0.000 1.270 496 Y CB 0.755 39.228 38.460 0.022 0.000 1.103 496 Y HN 0.930 nan 8.280 nan 0.000 0.491 497 G N 2.744 111.491 108.800 -0.088 0.000 2.756 497 G HA2 0.209 4.169 3.960 -0.000 0.000 0.678 497 G HA3 0.209 4.169 3.960 -0.000 0.000 0.678 497 G C -0.143 174.663 174.900 -0.158 0.000 1.349 497 G CA -0.380 44.653 45.100 -0.111 0.000 0.847 497 G HN 1.465 nan 8.290 nan 0.000 0.548 498 G N -0.826 107.866 108.800 -0.179 0.000 4.379 498 G HA2 0.715 4.675 3.960 -0.000 0.000 0.243 498 G HA3 0.715 4.675 3.960 -0.000 0.000 0.243 498 G C -1.413 173.357 174.900 -0.216 0.000 1.009 498 G CA 0.560 45.518 45.100 -0.237 0.000 0.646 498 G HN 0.767 nan 8.290 nan 0.000 0.475 499 P HA 0.100 nan 4.420 nan 0.000 0.275 499 P C 0.790 177.993 177.300 -0.162 0.000 1.310 499 P CA 0.091 63.084 63.100 -0.179 0.000 0.904 499 P CB 0.301 31.920 31.700 -0.135 0.000 1.381 500 H N 0.269 119.178 119.070 -0.268 0.000 2.426 500 H HA -0.066 4.489 4.556 -0.000 0.000 0.298 500 H C 1.847 176.853 175.328 -0.536 0.000 1.107 500 H CA 0.648 56.422 56.048 -0.456 0.000 1.298 500 H CB -0.308 29.133 29.762 -0.536 0.000 1.377 500 H HN 0.098 nan 8.280 nan 0.000 0.519 501 L N -0.408 120.644 121.223 -0.284 0.000 2.275 501 L HA -0.080 4.260 4.340 -0.000 0.000 0.215 501 L C 2.385 179.071 176.870 -0.307 0.000 1.119 501 L CA 0.996 55.624 54.840 -0.353 0.000 0.790 501 L CB 0.072 41.869 42.059 -0.438 0.000 0.919 501 L HN 0.320 nan 8.230 nan 0.000 0.443 502 G N -2.110 106.533 108.800 -0.262 0.000 3.192 502 G HA2 0.014 3.973 3.960 -0.000 0.000 0.239 502 G HA3 0.014 3.973 3.960 -0.000 0.000 0.239 502 G C 1.145 175.900 174.900 -0.242 0.000 1.084 502 G CA 0.730 45.674 45.100 -0.260 0.000 0.784 502 G HN 0.354 nan 8.290 nan 0.000 0.540 503 T N -3.625 110.779 114.554 -0.250 0.000 3.016 503 T HA 0.404 4.754 4.350 -0.000 0.000 0.271 503 T C 1.155 175.691 174.700 -0.273 0.000 0.968 503 T CA -0.262 61.691 62.100 -0.244 0.000 0.891 503 T CB 0.313 69.035 68.868 -0.243 0.000 1.149 503 T HN -0.089 nan 8.240 nan 0.000 0.524 504 M N 2.670 122.057 119.600 -0.355 0.000 2.323 504 M HA 0.509 4.989 4.480 -0.000 0.000 0.217 504 M C 0.400 176.567 176.300 -0.222 0.000 0.710 504 M CA -0.193 54.887 55.300 -0.366 0.000 1.815 504 M CB 0.350 32.523 32.600 -0.712 0.000 1.133 504 M HN 0.317 nan 8.290 nan 0.000 0.892 505 T N -2.123 112.345 114.554 -0.144 0.000 2.887 505 T HA 0.706 5.056 4.350 -0.000 0.000 0.288 505 T C 0.100 174.782 174.700 -0.031 0.000 1.021 505 T CA -0.303 61.757 62.100 -0.066 0.000 1.000 505 T CB 1.529 70.382 68.868 -0.026 0.000 1.034 505 T HN 0.903 nan 8.240 nan 0.000 0.467 506 A N 1.982 124.769 122.820 -0.056 0.000 2.462 506 A HA -0.193 4.127 4.320 -0.000 0.000 0.294 506 A C 1.648 179.215 177.584 -0.029 0.000 1.461 506 A CA 1.242 53.243 52.037 -0.060 0.000 0.765 506 A CB -2.574 16.394 19.000 -0.054 0.000 1.071 506 A HN 1.974 nan 8.150 nan 0.000 0.401 507 T N -1.790 112.727 114.554 -0.062 0.000 2.918 507 T HA -0.228 4.121 4.350 -0.000 0.000 0.271 507 T C 1.449 176.125 174.700 -0.039 0.000 1.104 507 T CA 1.485 63.559 62.100 -0.044 0.000 1.114 507 T CB -0.441 68.290 68.868 -0.228 0.000 0.855 507 T HN 0.620 nan 8.240 nan 0.000 0.518 508 N N 2.171 120.828 118.700 -0.073 0.000 2.205 508 N HA -0.111 4.629 4.740 -0.000 0.000 0.186 508 N C 2.125 177.612 175.510 -0.039 0.000 1.015 508 N CA 1.514 54.531 53.050 -0.057 0.000 0.862 508 N CB -0.369 38.096 38.487 -0.036 0.000 0.986 508 N HN 0.775 nan 8.380 nan 0.000 0.429 509 R N -0.533 119.935 120.500 -0.055 0.000 2.148 509 R HA -0.096 4.243 4.340 -0.000 0.000 0.227 509 R C 1.356 177.517 176.300 -0.231 0.000 1.103 509 R CA 1.016 57.032 56.100 -0.140 0.000 0.983 509 R CB -0.831 29.346 30.300 -0.205 0.000 0.874 509 R HN 0.240 nan 8.270 nan 0.000 0.451 510 Y N 1.396 121.548 120.300 -0.246 0.000 2.352 510 Y HA 0.002 4.552 4.550 -0.000 0.000 0.292 510 Y C 2.747 178.416 175.900 -0.386 0.000 1.136 510 Y CA 1.284 59.198 58.100 -0.311 0.000 1.227 510 Y CB -0.109 38.200 38.460 -0.251 0.000 0.991 510 Y HN 0.260 nan 8.280 nan 0.000 0.545 511 A N -0.167 122.555 122.820 -0.163 0.000 1.970 511 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 511 A C 2.062 179.585 177.584 -0.103 0.000 1.170 511 A CA 1.047 52.949 52.037 -0.226 0.000 0.645 511 A CB -0.267 18.727 19.000 -0.010 0.000 0.816 511 A HN 0.341 nan 8.150 nan 0.000 0.447 512 K N -0.056 120.303 120.400 -0.068 0.000 2.217 512 K HA -0.056 4.263 4.320 -0.000 0.000 0.202 512 K C 2.116 178.688 176.600 -0.047 0.000 1.051 512 K CA 1.394 57.676 56.287 -0.009 0.000 0.952 512 K CB -0.318 32.177 32.500 -0.008 0.000 0.736 512 K HN 0.793 nan 8.250 nan 0.000 0.453 513 M N -1.129 118.352 119.600 -0.199 0.000 2.175 513 M HA -0.123 4.357 4.480 -0.000 0.000 0.264 513 M C 1.387 177.606 176.300 -0.136 0.000 1.063 513 M CA 1.619 56.781 55.300 -0.230 0.000 1.119 513 M CB -0.755 31.592 32.600 -0.421 0.000 1.377 513 M HN -0.012 nan 8.290 nan 0.000 0.415 514 Y N 2.503 122.759 120.300 -0.075 0.000 2.298 514 Y HA -0.179 4.371 4.550 -0.000 0.000 0.287 514 Y C 2.587 178.547 175.900 0.100 0.000 1.164 514 Y CA 1.817 59.913 58.100 -0.008 0.000 1.229 514 Y CB -0.450 37.938 38.460 -0.121 0.000 0.977 514 Y HN 0.552 nan 8.280 nan 0.000 0.538 515 T N -3.200 111.505 114.554 0.251 0.000 3.122 515 T HA -0.010 4.340 4.350 -0.000 0.000 0.250 515 T C 0.337 175.137 174.700 0.166 0.000 1.067 515 T CA -0.239 61.987 62.100 0.211 0.000 0.966 515 T CB -0.462 68.522 68.868 0.192 0.000 1.002 515 T HN 0.226 nan 8.240 nan 0.000 0.542 516 H N 2.881 121.995 119.070 0.074 0.000 2.764 516 H HA 0.078 4.634 4.556 -0.000 0.000 0.341 516 H C 0.613 175.987 175.328 0.076 0.000 1.072 516 H CA 0.497 56.577 56.048 0.052 0.000 1.444 516 H CB 1.222 30.991 29.762 0.011 0.000 1.458 516 H HN 0.322 nan 8.280 nan 0.000 0.572 517 D N 2.022 122.251 120.400 -0.286 0.000 2.350 517 D HA -0.183 4.456 4.640 -0.000 0.000 0.216 517 D C 1.639 177.975 176.300 0.061 0.000 0.968 517 D CA 1.024 54.971 54.000 -0.087 0.000 0.894 517 D CB -0.266 40.451 40.800 -0.139 0.000 0.909 517 D HN 0.406 nan 8.370 nan 0.000 0.520 518 S N -0.435 115.412 115.700 0.245 0.000 2.489 518 S HA -0.016 4.453 4.470 -0.000 0.000 0.228 518 S C 1.061 175.788 174.600 0.212 0.000 0.995 518 S CA -0.371 57.990 58.200 0.269 0.000 0.934 518 S CB -0.538 62.875 63.200 0.356 0.000 0.771 518 S HN 0.270 nan 8.310 nan 0.000 0.522 519 L N 2.391 123.759 121.223 0.241 0.000 2.334 519 L HA 0.289 4.629 4.340 -0.000 0.000 0.286 519 L C 0.914 177.925 176.870 0.236 0.000 1.108 519 L CA -0.210 54.760 54.840 0.216 0.000 0.875 519 L CB 0.635 42.825 42.059 0.217 0.000 1.246 519 L HN 0.360 nan 8.230 nan 0.000 0.439 520 E N 3.146 123.500 120.200 0.257 0.000 2.285 520 E HA -0.034 4.315 4.350 -0.000 0.000 0.194 520 E C -0.417 176.453 176.600 0.450 0.000 0.997 520 E CA 0.681 57.270 56.400 0.315 0.000 0.845 520 E CB 0.431 30.305 29.700 0.289 0.000 0.782 520 E HN 0.297 nan 8.360 nan 0.000 0.491 521 F N 0.006 120.057 119.950 0.168 0.000 2.628 521 F HA 0.359 4.886 4.527 -0.000 0.000 0.309 521 F C -1.695 174.142 175.800 0.062 0.000 1.108 521 F CA -1.303 56.744 58.000 0.078 0.000 0.971 521 F CB 1.599 40.687 39.000 0.148 0.000 1.279 521 F HN -0.415 nan 8.300 nan 0.000 0.441 522 V N 5.166 124.624 119.914 -0.761 0.000 2.686 522 V HA 0.725 4.845 4.120 -0.000 0.000 0.306 522 V C -1.222 174.292 176.094 -0.966 0.000 1.065 522 V CA -0.840 61.093 62.300 -0.611 0.000 0.894 522 V CB 1.855 33.531 31.823 -0.245 0.000 1.004 522 V HN 0.639 nan 8.190 nan 0.000 0.424 523 V N 2.634 122.110 119.914 -0.729 0.000 2.656 523 V HA 0.712 4.832 4.120 -0.000 0.000 0.307 523 V C -0.250 175.615 176.094 -0.382 0.000 1.051 523 V CA -0.473 61.437 62.300 -0.650 0.000 0.893 523 V CB 2.194 33.499 31.823 -0.863 0.000 0.999 523 V HN 0.859 nan 8.190 nan 0.000 0.426 524 S N 3.281 118.809 115.700 -0.287 0.000 2.605 524 S HA 0.459 4.929 4.470 -0.000 0.000 0.308 524 S C -0.750 173.785 174.600 -0.108 0.000 1.113 524 S CA -0.529 57.562 58.200 -0.181 0.000 1.049 524 S CB 1.305 64.359 63.200 -0.244 0.000 1.001 524 S HN 0.834 nan 8.310 nan 0.000 0.480 525 Q N 3.956 123.762 119.800 0.009 0.000 2.506 525 Q HA 0.570 4.910 4.340 -0.000 0.000 0.242 525 Q C -1.006 174.880 176.000 -0.190 0.000 1.060 525 Q CA -0.270 55.535 55.803 0.003 0.000 0.826 525 Q CB 0.453 29.337 28.738 0.244 0.000 1.169 525 Q HN 0.698 nan 8.270 nan 0.000 0.521 526 S N 2.557 118.134 115.700 -0.205 0.000 2.732 526 S HA 0.522 4.992 4.470 -0.000 0.000 0.293 526 S C 0.624 175.052 174.600 -0.286 0.000 1.159 526 S CA -0.749 57.297 58.200 -0.257 0.000 0.847 526 S CB 0.968 64.058 63.200 -0.185 0.000 1.169 526 S HN 0.639 nan 8.310 nan 0.000 0.501 527 I N -0.791 119.556 120.570 -0.371 0.000 3.039 527 I HA 0.202 4.372 4.170 -0.000 0.000 0.270 527 I C -0.163 175.544 176.117 -0.682 0.000 1.150 527 I CA 0.568 61.459 61.300 -0.682 0.000 1.448 527 I CB 0.262 37.485 38.000 -1.294 0.000 1.197 527 I HN 0.310 nan 8.210 nan 0.000 0.450 528 W N 0.321 121.566 121.300 -0.091 0.000 2.666 528 W HA 0.296 4.955 4.660 -0.000 0.000 0.334 528 W C -0.811 175.662 176.519 -0.077 0.000 1.051 528 W CA -1.083 56.227 57.345 -0.058 0.000 1.224 528 W CB 1.314 30.733 29.460 -0.070 0.000 1.405 528 W HN -0.202 nan 8.180 nan 0.000 0.513 529 F N 4.342 124.275 119.950 -0.029 0.000 2.541 529 F HA 0.135 4.662 4.527 -0.000 0.000 0.347 529 F C 0.288 175.952 175.800 -0.225 0.000 1.242 529 F CA 0.336 58.152 58.000 -0.307 0.000 1.123 529 F CB -0.246 38.336 39.000 -0.697 0.000 1.354 529 F HN 0.348 nan 8.300 nan 0.000 0.621 530 E N 2.249 122.216 120.200 -0.387 0.000 2.442 530 E HA 0.627 4.977 4.350 -0.000 0.000 0.278 530 E C 0.432 176.870 176.600 -0.271 0.000 1.082 530 E CA -0.826 55.396 56.400 -0.297 0.000 0.861 530 E CB 0.288 29.920 29.700 -0.114 0.000 1.462 530 E HN 0.582 nan 8.360 nan 0.000 0.458 531 G N 1.156 109.867 108.800 -0.148 0.000 2.660 531 G HA2 -0.450 3.510 3.960 -0.000 0.000 0.321 531 G HA3 -0.450 3.510 3.960 -0.000 0.000 0.321 531 G C 0.697 175.586 174.900 -0.017 0.000 1.246 531 G CA 0.969 46.031 45.100 -0.063 0.000 1.000 531 G HN 0.707 nan 8.290 nan 0.000 0.550 532 E N 0.198 120.366 120.200 -0.053 0.000 2.285 532 E HA 0.162 4.511 4.350 -0.000 0.000 0.194 532 E C 2.694 179.219 176.600 -0.125 0.000 0.997 532 E CA 0.596 57.008 56.400 0.020 0.000 0.845 532 E CB -0.008 29.656 29.700 -0.059 0.000 0.782 532 E HN 0.324 nan 8.360 nan 0.000 0.491 533 V N 1.624 121.366 119.914 -0.288 0.000 2.317 533 V HA -0.227 3.893 4.120 -0.000 0.000 0.251 533 V C -1.042 174.734 176.094 -0.532 0.000 1.065 533 V CA 1.832 63.877 62.300 -0.425 0.000 1.049 533 V CB -1.330 30.192 31.823 -0.502 0.000 0.651 533 V HN 0.218 nan 8.190 nan 0.000 0.450 534 P HA 0.018 nan 4.420 nan 0.000 0.258 534 P C 0.696 177.782 177.300 -0.357 0.000 1.319 534 P CA 0.983 63.736 63.100 -0.578 0.000 0.785 534 P CB -0.285 30.972 31.700 -0.738 0.000 1.252 535 F N -0.932 118.813 119.950 -0.342 0.000 2.653 535 F HA 0.312 4.839 4.527 -0.000 0.000 0.288 535 F C 1.655 177.250 175.800 -0.342 0.000 1.121 535 F CA -0.252 57.501 58.000 -0.412 0.000 1.384 535 F CB -0.374 38.023 39.000 -1.005 0.000 1.115 535 F HN -0.207 nan 8.300 nan 0.000 0.599 536 A N 0.433 123.153 122.820 -0.167 0.000 2.455 536 A HA 0.030 4.350 4.320 -0.000 0.000 0.244 536 A C 0.917 178.477 177.584 -0.039 0.000 1.099 536 A CA 0.353 52.277 52.037 -0.187 0.000 0.786 536 A CB 0.022 18.866 19.000 -0.261 0.000 1.051 536 A HN 0.269 nan 8.150 nan 0.000 0.508 537 D N -1.005 119.250 120.400 -0.241 0.000 2.324 537 D HA 0.162 4.802 4.640 -0.000 0.000 0.212 537 D C 0.050 176.336 176.300 -0.023 0.000 0.984 537 D CA 0.887 54.716 54.000 -0.285 0.000 0.885 537 D CB 0.257 40.480 40.800 -0.961 0.000 0.996 537 D HN 0.300 nan 8.370 nan 0.000 0.505 538 I N 1.685 122.181 120.570 -0.123 0.000 2.466 538 I HA 0.351 4.521 4.170 -0.000 0.000 0.289 538 I C -0.411 175.624 176.117 -0.136 0.000 1.026 538 I CA -0.573 60.712 61.300 -0.024 0.000 1.078 538 I CB 2.208 40.242 38.000 0.057 0.000 1.249 538 I HN -0.237 nan 8.210 nan 0.000 0.429 539 I N 6.504 127.000 120.570 -0.124 0.000 2.406 539 I HA 0.426 4.595 4.170 -0.000 0.000 0.290 539 I C -0.591 175.397 176.117 -0.214 0.000 0.999 539 I CA -0.601 60.581 61.300 -0.196 0.000 1.124 539 I CB 1.957 39.802 38.000 -0.258 0.000 1.289 539 I HN 0.228 nan 8.210 nan 0.000 0.441 540 L N 7.774 128.885 121.223 -0.186 0.000 2.298 540 L HA 0.462 4.801 4.340 -0.000 0.000 0.284 540 L C -2.502 174.302 176.870 -0.110 0.000 1.013 540 L CA -1.923 52.792 54.840 -0.209 0.000 0.824 540 L CB 1.481 43.552 42.059 0.019 0.000 1.221 540 L HN 0.230 nan 8.230 nan 0.000 0.418 541 P HA 0.129 nan 4.420 nan 0.000 0.269 541 P C -0.678 176.704 177.300 0.138 0.000 1.252 541 P CA 0.123 63.222 63.100 -0.001 0.000 0.780 541 P CB 0.911 32.621 31.700 0.018 0.000 0.829 542 A N 3.364 126.157 122.820 -0.045 0.000 2.320 542 A HA 0.653 4.973 4.320 -0.000 0.000 0.334 542 A C 0.398 177.891 177.584 -0.153 0.000 1.147 542 A CA -0.474 51.516 52.037 -0.078 0.000 0.820 542 A CB 0.626 19.514 19.000 -0.186 0.000 1.218 542 A HN 0.684 nan 8.150 nan 0.000 0.482 543 C N 0.208 119.449 119.300 -0.099 0.000 2.354 543 C HA 0.927 5.386 4.460 -0.000 0.000 0.381 543 C C 0.921 175.849 174.990 -0.103 0.000 1.240 543 C CA 0.103 59.057 59.018 -0.106 0.000 2.089 543 C CB 0.558 28.286 27.740 -0.020 0.000 2.234 543 C HN 1.141 nan 8.230 nan 0.000 0.544 544 T N -0.549 113.983 114.554 -0.037 0.000 2.881 544 T HA 0.273 4.623 4.350 -0.000 0.000 0.278 544 T C 1.157 175.963 174.700 0.177 0.000 0.982 544 T CA 0.006 62.174 62.100 0.112 0.000 0.989 544 T CB 0.604 69.652 68.868 0.299 0.000 1.058 544 T HN 0.905 nan 8.240 nan 0.000 0.529 545 N N 0.223 119.062 118.700 0.230 0.000 2.443 545 N HA -0.116 4.623 4.740 -0.000 0.000 0.184 545 N C 1.013 176.512 175.510 -0.019 0.000 1.037 545 N CA 0.965 54.071 53.050 0.094 0.000 0.896 545 N CB -0.549 37.960 38.487 0.038 0.000 0.959 545 N HN 0.602 nan 8.380 nan 0.000 0.442 546 F N 1.010 120.985 119.950 0.041 0.000 2.780 546 F HA 0.161 4.688 4.527 -0.000 0.000 0.299 546 F C 1.390 177.152 175.800 -0.063 0.000 1.146 546 F CA 0.317 58.312 58.000 -0.009 0.000 1.428 546 F CB 0.067 39.093 39.000 0.044 0.000 1.115 546 F HN 0.073 nan 8.300 nan 0.000 0.583 547 E N 0.270 120.529 120.200 0.098 0.000 2.501 547 E HA 0.165 4.515 4.350 -0.000 0.000 0.200 547 E C 0.287 176.867 176.600 -0.034 0.000 1.016 547 E CA -0.185 56.230 56.400 0.024 0.000 0.921 547 E CB 0.394 30.123 29.700 0.048 0.000 1.034 547 E HN 0.372 nan 8.360 nan 0.000 0.468 548 R N -1.105 119.340 120.500 -0.092 0.000 2.766 548 R HA 0.420 4.760 4.340 -0.000 0.000 0.270 548 R C -1.621 174.577 176.300 -0.171 0.000 1.035 548 R CA -1.034 55.020 56.100 -0.077 0.000 0.911 548 R CB 0.542 30.887 30.300 0.075 0.000 1.243 548 R HN -0.115 nan 8.270 nan 0.000 0.460 549 W N 0.689 122.060 121.300 0.118 0.000 2.365 549 W HA 0.493 5.153 4.660 -0.000 0.000 0.316 549 W C 0.027 176.624 176.519 0.131 0.000 1.164 549 W CA 0.566 57.996 57.345 0.141 0.000 1.204 549 W CB 1.222 30.799 29.460 0.196 0.000 1.213 549 W HN 0.477 nan 8.180 nan 0.000 0.539 550 D N 1.300 121.935 120.400 0.392 0.000 2.779 550 D HA 0.497 5.137 4.640 -0.000 0.000 0.331 550 D C -1.747 174.739 176.300 0.310 0.000 1.331 550 D CA -0.669 53.493 54.000 0.270 0.000 0.866 550 D CB 1.932 42.818 40.800 0.144 0.000 1.409 550 D HN 0.350 nan 8.370 nan 0.000 0.486 551 I N 0.246 120.950 120.570 0.222 0.000 2.913 551 I HA 0.596 4.766 4.170 -0.000 0.000 0.302 551 I C -1.384 174.861 176.117 0.213 0.000 1.246 551 I CA -0.046 61.450 61.300 0.326 0.000 1.010 551 I CB 1.703 40.008 38.000 0.507 0.000 1.259 551 I HN 0.627 nan 8.210 nan 0.000 0.434 552 S N 3.816 119.705 115.700 0.315 0.000 2.656 552 S HA 0.433 4.902 4.470 -0.000 0.000 0.265 552 S C -1.491 173.290 174.600 0.302 0.000 1.132 552 S CA -0.953 57.409 58.200 0.270 0.000 0.819 552 S CB 1.628 64.825 63.200 -0.005 0.000 1.119 552 S HN 0.776 nan 8.310 nan 0.000 0.476 553 E N 0.066 120.501 120.200 0.392 0.000 2.238 553 E HA 0.501 4.851 4.350 -0.000 0.000 0.267 553 E C -1.314 175.693 176.600 0.679 0.000 0.887 553 E CA -0.927 55.692 56.400 0.366 0.000 0.769 553 E CB 1.088 30.935 29.700 0.245 0.000 1.187 553 E HN 0.531 nan 8.360 nan 0.000 0.416 554 F N 3.441 123.603 119.950 0.354 0.000 2.569 554 F HA 0.057 4.584 4.527 -0.000 0.000 0.395 554 F C 0.901 176.921 175.800 0.366 0.000 1.028 554 F CA 0.892 59.072 58.000 0.300 0.000 1.158 554 F CB -0.655 38.467 39.000 0.202 0.000 1.023 554 F HN 0.727 nan 8.300 nan 0.000 0.547 555 A N 3.877 127.025 122.820 0.546 0.000 2.798 555 A HA -0.333 3.987 4.320 -0.000 0.000 0.282 555 A C 0.600 178.552 177.584 0.614 0.000 1.464 555 A CA 1.090 53.356 52.037 0.381 0.000 0.844 555 A CB -2.605 16.379 19.000 -0.027 0.000 1.006 555 A HN 0.795 nan 8.150 nan 0.000 0.577 556 N N -0.535 118.630 118.700 0.775 0.000 2.469 556 N HA 0.364 5.104 4.740 -0.000 0.000 0.239 556 N C 0.762 176.451 175.510 0.298 0.000 1.053 556 N CA 0.171 53.533 53.050 0.520 0.000 0.937 556 N CB 0.531 39.295 38.487 0.462 0.000 1.163 556 N HN 0.616 nan 8.380 nan 0.000 0.509 557 C N 2.639 122.030 119.300 0.151 0.000 2.469 557 C HA 0.322 4.782 4.460 -0.000 0.000 0.309 557 C C 1.451 176.154 174.990 -0.479 0.000 1.385 557 C CA 1.137 59.910 59.018 -0.409 0.000 1.890 557 C CB -0.973 26.811 27.740 0.073 0.000 2.245 557 C HN 0.870 nan 8.230 nan 0.000 0.530 558 S N -0.892 114.676 115.700 -0.220 0.000 3.426 558 S HA 0.053 4.523 4.470 -0.000 0.000 0.630 558 S C 1.165 175.477 174.600 -0.480 0.000 2.670 558 S CA 2.354 60.372 58.200 -0.304 0.000 3.374 558 S CB -1.767 61.346 63.200 -0.146 0.000 0.296 558 S HN 2.598 nan 8.310 nan 0.000 1.445 559 G N 0.992 109.487 108.800 -0.509 0.000 2.634 559 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.318 559 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.318 559 G C 0.552 175.197 174.900 -0.426 0.000 1.207 559 G CA 1.578 46.402 45.100 -0.460 0.000 0.987 559 G HN 2.085 nan 8.290 nan 0.000 0.547 560 Y N 0.519 120.808 120.300 -0.017 0.000 2.619 560 Y HA 0.613 5.163 4.550 -0.000 0.000 0.308 560 Y C 1.523 177.403 175.900 -0.034 0.000 1.192 560 Y CA 0.106 58.200 58.100 -0.011 0.000 1.319 560 Y CB -0.383 38.086 38.460 0.015 0.000 1.030 560 Y HN 0.356 nan 8.280 nan 0.000 0.517 561 I N 1.482 122.069 120.570 0.029 0.000 2.933 561 I HA 0.273 4.443 4.170 -0.000 0.000 0.306 561 I C -2.777 173.137 176.117 -0.338 0.000 1.516 561 I CA -1.958 59.300 61.300 -0.070 0.000 0.819 561 I CB 0.971 39.028 38.000 0.095 0.000 2.085 561 I HN -0.198 nan 8.210 nan 0.000 0.621 562 P HA -0.079 nan 4.420 nan 0.000 0.259 562 P C -0.070 176.919 177.300 -0.519 0.000 1.163 562 P CA 0.839 63.406 63.100 -0.888 0.000 0.760 562 P CB 0.196 31.166 31.700 -1.216 0.000 0.762 563 D N 1.417 121.622 120.400 -0.324 0.000 2.837 563 D HA -0.212 4.427 4.640 -0.000 0.000 0.230 563 D C 0.654 176.528 176.300 -0.709 0.000 1.152 563 D CA 1.177 54.925 54.000 -0.419 0.000 0.736 563 D CB -1.737 38.908 40.800 -0.257 0.000 1.084 563 D HN 0.674 nan 8.370 nan 0.000 0.429 564 N N -0.320 118.154 118.700 -0.377 0.000 2.609 564 N HA -0.186 4.554 4.740 -0.000 0.000 0.190 564 N C 1.788 177.190 175.510 -0.181 0.000 1.157 564 N CA 0.567 53.446 53.050 -0.286 0.000 0.918 564 N CB -0.512 37.894 38.487 -0.135 0.000 0.978 564 N HN 0.553 nan 8.380 nan 0.000 0.448 565 Y N 0.188 120.531 120.300 0.071 0.000 2.574 565 Y HA -0.060 4.490 4.550 -0.000 0.000 0.294 565 Y C 1.922 177.864 175.900 0.071 0.000 1.142 565 Y CA 0.248 58.410 58.100 0.102 0.000 1.314 565 Y CB -0.760 37.814 38.460 0.190 0.000 0.991 565 Y HN 0.308 nan 8.280 nan 0.000 0.555 566 Q N 0.796 120.442 119.800 -0.257 0.000 2.515 566 Q HA 0.004 4.344 4.340 -0.000 0.000 0.212 566 Q C 1.349 177.319 176.000 -0.049 0.000 0.970 566 Q CA 0.799 56.565 55.803 -0.063 0.000 0.941 566 Q CB -0.419 28.263 28.738 -0.094 0.000 0.998 566 Q HN 0.618 nan 8.270 nan 0.000 0.518 567 L N 0.142 121.313 121.223 -0.086 0.000 2.313 567 L HA 0.031 4.371 4.340 -0.000 0.000 0.214 567 L C 0.745 177.552 176.870 -0.105 0.000 1.119 567 L CA -0.117 54.657 54.840 -0.109 0.000 0.809 567 L CB 0.131 42.105 42.059 -0.141 0.000 0.933 567 L HN 0.351 nan 8.230 nan 0.000 0.449 568 C N -0.514 118.728 119.300 -0.096 0.000 2.325 568 C HA 0.194 4.654 4.460 -0.000 0.000 0.370 568 C C 1.744 176.824 174.990 0.150 0.000 1.217 568 C CA -0.927 58.051 59.018 -0.067 0.000 2.254 568 C CB 0.939 28.538 27.740 -0.235 0.000 2.282 568 C HN 0.344 nan 8.230 nan 0.000 0.564 569 N N 0.003 118.855 118.700 0.254 0.000 2.446 569 N HA 0.026 4.766 4.740 -0.000 0.000 0.179 569 N C -0.213 175.352 175.510 0.093 0.000 1.054 569 N CA 0.957 54.179 53.050 0.288 0.000 0.905 569 N CB -0.015 38.605 38.487 0.220 0.000 0.973 569 N HN 0.735 nan 8.380 nan 0.000 0.448 570 H N -1.215 118.107 119.070 0.422 0.000 3.016 570 H HA 0.404 4.960 4.556 -0.000 0.000 0.362 570 H C -0.490 175.029 175.328 0.319 0.000 1.233 570 H CA -0.701 55.574 56.048 0.380 0.000 1.124 570 H CB 1.357 31.366 29.762 0.412 0.000 1.850 570 H HN -0.212 nan 8.280 nan 0.000 0.549 571 R N 1.433 122.125 120.500 0.320 0.000 2.198 571 R HA 0.464 4.804 4.340 -0.000 0.000 0.339 571 R C -1.056 175.331 176.300 0.145 0.000 1.020 571 R CA -0.613 55.617 56.100 0.218 0.000 0.864 571 R CB 0.907 31.248 30.300 0.068 0.000 1.105 571 R HN 0.203 nan 8.270 nan 0.000 0.463 572 V N 6.026 126.092 119.914 0.254 0.000 2.378 572 V HA 0.393 4.512 4.120 -0.000 0.000 0.288 572 V C 0.148 176.353 176.094 0.184 0.000 1.016 572 V CA -0.675 61.734 62.300 0.181 0.000 0.840 572 V CB 1.642 33.594 31.823 0.216 0.000 0.994 572 V HN 0.635 nan 8.190 nan 0.000 0.431 573 I N 4.786 125.447 120.570 0.152 0.000 2.336 573 I HA 0.600 4.770 4.170 -0.000 0.000 0.292 573 I C 0.237 176.586 176.117 0.388 0.000 0.991 573 I CA 0.049 61.418 61.300 0.115 0.000 1.227 573 I CB 1.864 39.803 38.000 -0.103 0.000 1.366 573 I HN 0.746 nan 8.210 nan 0.000 0.466 574 S N 6.357 122.285 115.700 0.381 0.000 2.549 574 S HA 0.619 5.089 4.470 -0.000 0.000 0.280 574 S C -0.905 173.908 174.600 0.354 0.000 1.109 574 S CA -0.915 57.499 58.200 0.357 0.000 0.905 574 S CB 2.055 65.366 63.200 0.185 0.000 1.081 574 S HN 0.483 nan 8.310 nan 0.000 0.477 575 L N 2.166 123.433 121.223 0.074 0.000 2.319 575 L HA 0.387 4.727 4.340 -0.000 0.000 0.280 575 L C -0.078 176.835 176.870 0.071 0.000 1.099 575 L CA 0.344 55.225 54.840 0.068 0.000 0.828 575 L CB 0.523 42.386 42.059 -0.325 0.000 1.150 575 L HN 0.785 nan 8.230 nan 0.000 0.442 576 Q N 5.523 125.412 119.800 0.149 0.000 2.490 576 Q HA 0.452 4.791 4.340 -0.000 0.000 0.226 576 Q C -0.154 175.827 176.000 -0.031 0.000 1.132 576 Q CA -0.433 55.376 55.803 0.009 0.000 0.928 576 Q CB 0.790 29.538 28.738 0.016 0.000 1.299 576 Q HN 0.858 nan 8.270 nan 0.000 0.528 577 A N 2.879 125.603 122.820 -0.161 0.000 2.425 577 A HA 0.091 4.410 4.320 -0.000 0.000 0.249 577 A C 0.169 177.306 177.584 -0.745 0.000 1.084 577 A CA -0.292 51.465 52.037 -0.466 0.000 0.781 577 A CB 0.324 19.149 19.000 -0.292 0.000 1.019 577 A HN 0.633 nan 8.150 nan 0.000 0.490 578 K N 2.725 122.230 120.400 -1.493 0.000 2.237 578 K HA 0.137 4.457 4.320 -0.000 0.000 0.283 578 K C 0.401 176.694 176.600 -0.512 0.000 1.080 578 K CA -0.339 55.374 56.287 -0.957 0.000 0.965 578 K CB -0.389 31.353 32.500 -1.263 0.000 1.098 578 K HN 0.746 nan 8.250 nan 0.000 0.434 579 C N 4.527 123.680 119.300 -0.244 0.000 2.450 579 C HA 0.052 4.512 4.460 -0.000 0.000 0.279 579 C C 1.259 176.247 174.990 -0.003 0.000 1.335 579 C CA -0.097 58.878 59.018 -0.071 0.000 1.749 579 C CB -1.021 26.764 27.740 0.074 0.000 1.963 579 C HN 0.843 nan 8.230 nan 0.000 0.501 580 I N -3.119 117.458 120.570 0.011 0.000 3.195 580 I HA 0.554 4.724 4.170 -0.000 0.000 0.313 580 I C -1.044 175.099 176.117 0.044 0.000 1.237 580 I CA -0.704 60.631 61.300 0.059 0.000 0.963 580 I CB 1.147 39.224 38.000 0.128 0.000 1.278 580 I HN -0.218 nan 8.210 nan 0.000 0.460 581 E N 2.199 122.441 120.200 0.069 0.000 2.390 581 E HA 0.339 4.689 4.350 -0.000 0.000 0.261 581 E C -2.370 174.274 176.600 0.073 0.000 1.076 581 E CA -1.431 55.009 56.400 0.066 0.000 0.905 581 E CB 0.175 29.919 29.700 0.074 0.000 0.984 581 E HN 0.427 nan 8.360 nan 0.000 0.427 582 P HA -0.071 nan 4.420 nan 0.000 0.264 582 P C -0.505 176.840 177.300 0.076 0.000 1.183 582 P CA 0.244 63.380 63.100 0.060 0.000 0.763 582 P CB 0.420 32.153 31.700 0.055 0.000 0.807 583 V N 3.681 123.638 119.914 0.071 0.000 2.614 583 V HA 0.414 4.534 4.120 -0.000 0.000 0.291 583 V C 1.335 177.468 176.094 0.065 0.000 1.049 583 V CA 1.167 63.520 62.300 0.090 0.000 1.038 583 V CB 0.047 31.930 31.823 0.099 0.000 0.980 583 V HN 1.053 nan 8.190 nan 0.000 0.481 584 G N 4.438 113.280 108.800 0.070 0.000 2.556 584 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.283 584 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.283 584 G C 0.407 175.378 174.900 0.118 0.000 1.177 584 G CA 0.667 45.810 45.100 0.072 0.000 0.978 584 G HN 0.810 nan 8.290 nan 0.000 0.554 585 E N 0.632 120.928 120.200 0.162 0.000 2.736 585 E HA 0.457 4.807 4.350 -0.000 0.000 0.208 585 E C 0.858 177.689 176.600 0.386 0.000 0.996 585 E CA 0.537 57.098 56.400 0.268 0.000 1.104 585 E CB -0.108 29.782 29.700 0.317 0.000 1.111 585 E HN 0.734 nan 8.360 nan 0.000 0.455 586 S N 0.458 116.298 115.700 0.233 0.000 2.632 586 S HA 0.626 5.096 4.470 -0.000 0.000 0.271 586 S C 0.105 174.797 174.600 0.154 0.000 1.260 586 S CA -0.803 57.543 58.200 0.244 0.000 1.010 586 S CB 1.260 64.503 63.200 0.072 0.000 0.965 586 S HN 0.304 nan 8.310 nan 0.000 0.534 587 M N 0.309 119.973 119.600 0.106 0.000 2.575 587 M HA 0.565 5.045 4.480 -0.000 0.000 0.284 587 M C -0.423 175.866 176.300 -0.019 0.000 1.253 587 M CA -0.933 54.342 55.300 -0.041 0.000 0.861 587 M CB 1.834 34.269 32.600 -0.275 0.000 1.733 587 M HN 0.716 nan 8.290 nan 0.000 0.462 588 S N -0.164 115.546 115.700 0.016 0.000 2.573 588 S HA 0.055 4.525 4.470 -0.000 0.000 0.277 588 S C 0.347 174.981 174.600 0.057 0.000 1.346 588 S CA -0.022 58.223 58.200 0.074 0.000 1.034 588 S CB 0.449 63.746 63.200 0.162 0.000 0.879 588 S HN 0.771 nan 8.310 nan 0.000 0.528 589 D N 0.669 121.127 120.400 0.097 0.000 2.149 589 D HA -0.175 4.465 4.640 -0.000 0.000 0.198 589 D C 1.459 177.814 176.300 0.092 0.000 0.990 589 D CA 1.746 55.768 54.000 0.037 0.000 0.839 589 D CB -0.255 40.722 40.800 0.295 0.000 0.948 589 D HN 0.832 nan 8.370 nan 0.000 0.460 590 Y N 1.999 122.431 120.300 0.221 0.000 2.181 590 Y HA -0.200 4.350 4.550 -0.000 0.000 0.288 590 Y C 2.226 178.304 175.900 0.296 0.000 1.146 590 Y CA 1.466 59.778 58.100 0.354 0.000 1.164 590 Y CB 0.148 38.784 38.460 0.293 0.000 0.982 590 Y HN -0.186 nan 8.280 nan 0.000 0.515 591 E N 0.370 120.664 120.200 0.156 0.000 2.152 591 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 591 E C 2.298 178.797 176.600 -0.168 0.000 0.983 591 E CA 1.259 57.663 56.400 0.005 0.000 0.818 591 E CB -0.236 29.475 29.700 0.018 0.000 0.758 591 E HN 0.630 nan 8.360 nan 0.000 0.467 592 I N -0.066 120.361 120.570 -0.238 0.000 2.252 592 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 592 I C 2.126 178.108 176.117 -0.225 0.000 1.102 592 I CA 1.200 62.309 61.300 -0.318 0.000 1.385 592 I CB -0.384 37.453 38.000 -0.273 0.000 1.064 592 I HN 0.111 nan 8.210 nan 0.000 0.414 593 Y N 0.304 120.476 120.300 -0.214 0.000 2.293 593 Y HA -0.184 4.365 4.550 -0.000 0.000 0.291 593 Y C 2.806 178.415 175.900 -0.484 0.000 1.137 593 Y CA 0.637 58.341 58.100 -0.661 0.000 1.202 593 Y CB -0.205 37.738 38.460 -0.861 0.000 0.990 593 Y HN 0.059 nan 8.280 nan 0.000 0.537 594 R N 0.434 120.917 120.500 -0.028 0.000 2.092 594 R HA -0.178 4.162 4.340 -0.000 0.000 0.231 594 R C 2.117 178.462 176.300 0.076 0.000 1.119 594 R CA 1.162 57.355 56.100 0.156 0.000 0.970 594 R CB -0.348 30.003 30.300 0.085 0.000 0.864 594 R HN 0.332 nan 8.270 nan 0.000 0.440 595 L N 0.055 121.252 121.223 -0.044 0.000 2.027 595 L HA -0.035 4.305 4.340 -0.000 0.000 0.206 595 L C 1.695 178.547 176.870 -0.030 0.000 1.074 595 L CA 1.717 56.500 54.840 -0.095 0.000 0.745 595 L CB -0.641 41.257 42.059 -0.269 0.000 0.898 595 L HN 0.135 nan 8.230 nan 0.000 0.433 596 F N -0.178 119.780 119.950 0.012 0.000 2.134 596 F HA -0.185 4.342 4.527 -0.000 0.000 0.299 596 F C 2.495 178.415 175.800 0.201 0.000 1.097 596 F CA 1.197 59.273 58.000 0.127 0.000 1.264 596 F CB -0.635 38.442 39.000 0.129 0.000 1.001 596 F HN 0.236 nan 8.300 nan 0.000 0.479 597 A N 0.227 123.263 122.820 0.360 0.000 1.873 597 A HA -0.323 3.997 4.320 -0.000 0.000 0.218 597 A C 2.179 179.909 177.584 0.242 0.000 1.193 597 A CA 2.251 54.471 52.037 0.304 0.000 0.629 597 A CB -0.920 18.239 19.000 0.266 0.000 0.826 597 A HN 0.366 nan 8.150 nan 0.000 0.447 598 K N -0.666 119.853 120.400 0.198 0.000 2.103 598 K HA -0.213 4.107 4.320 -0.000 0.000 0.207 598 K C 2.017 178.702 176.600 0.141 0.000 1.048 598 K CA 1.912 58.289 56.287 0.150 0.000 0.930 598 K CB -0.133 32.434 32.500 0.111 0.000 0.716 598 K HN 0.294 nan 8.250 nan 0.000 0.444 599 K N 0.423 120.920 120.400 0.163 0.000 2.211 599 K HA 0.017 4.337 4.320 -0.000 0.000 0.203 599 K C 1.562 178.275 176.600 0.188 0.000 1.050 599 K CA 0.840 57.227 56.287 0.167 0.000 0.945 599 K CB 0.179 32.798 32.500 0.197 0.000 0.732 599 K HN 0.168 nan 8.250 nan 0.000 0.451 600 L N -0.289 121.066 121.223 0.220 0.000 2.607 600 L HA 0.133 4.473 4.340 -0.000 0.000 0.228 600 L C 0.149 177.094 176.870 0.125 0.000 1.123 600 L CA -0.137 54.809 54.840 0.178 0.000 0.890 600 L CB -0.143 42.037 42.059 0.201 0.000 1.103 600 L HN 0.281 nan 8.230 nan 0.000 0.468 601 N N 1.017 119.794 118.700 0.129 0.000 2.815 601 N HA -0.209 4.531 4.740 -0.000 0.000 0.248 601 N C 0.097 175.669 175.510 0.103 0.000 1.110 601 N CA 0.911 54.023 53.050 0.105 0.000 0.699 601 N CB -1.163 37.373 38.487 0.082 0.000 1.040 601 N HN 0.564 nan 8.380 nan 0.000 0.555 602 I N -3.732 116.917 120.570 0.133 0.000 3.578 602 I HA 0.261 4.431 4.170 -0.000 0.000 0.321 602 I C 1.170 177.419 176.117 0.219 0.000 1.510 602 I CA -0.541 60.844 61.300 0.141 0.000 1.002 602 I CB 0.236 38.299 38.000 0.106 0.000 1.427 602 I HN 0.128 nan 8.210 nan 0.000 0.575 603 E N 2.132 122.465 120.200 0.222 0.000 2.160 603 E HA -0.292 4.058 4.350 -0.000 0.000 0.195 603 E C 1.841 178.606 176.600 0.275 0.000 0.991 603 E CA 1.964 58.535 56.400 0.285 0.000 0.810 603 E CB 0.268 30.097 29.700 0.215 0.000 0.742 603 E HN 0.576 nan 8.360 nan 0.000 0.466 604 E N 0.211 120.528 120.200 0.195 0.000 2.046 604 E HA -0.155 4.195 4.350 -0.000 0.000 0.190 604 E C 1.838 178.546 176.600 0.181 0.000 0.982 604 E CA 1.526 58.022 56.400 0.160 0.000 0.800 604 E CB -0.111 29.655 29.700 0.110 0.000 0.756 604 E HN 0.282 nan 8.360 nan 0.000 0.449 605 M N -0.556 119.153 119.600 0.183 0.000 2.175 605 M HA 0.026 4.506 4.480 -0.000 0.000 0.264 605 M C 1.891 178.354 176.300 0.272 0.000 1.063 605 M CA 1.113 56.523 55.300 0.183 0.000 1.119 605 M CB -0.618 32.059 32.600 0.128 0.000 1.377 605 M HN 0.189 nan 8.290 nan 0.000 0.415 606 F N 0.512 120.575 119.950 0.189 0.000 2.074 606 F HA -0.117 4.410 4.527 -0.000 0.000 0.293 606 F C 2.596 178.630 175.800 0.390 0.000 1.116 606 F CA 1.709 59.854 58.000 0.242 0.000 1.212 606 F CB -0.736 38.396 39.000 0.221 0.000 0.998 606 F HN 0.234 nan 8.300 nan 0.000 0.471 607 S N -0.779 114.973 115.700 0.088 0.000 2.446 607 S HA -0.026 4.443 4.470 -0.000 0.000 0.225 607 S C 1.036 175.774 174.600 0.230 0.000 1.016 607 S CA 0.715 59.002 58.200 0.144 0.000 0.943 607 S CB -0.506 62.847 63.200 0.254 0.000 0.786 607 S HN 0.559 nan 8.310 nan 0.000 0.508 608 E N 0.251 120.555 120.200 0.173 0.000 2.883 608 E HA -0.198 4.152 4.350 -0.000 0.000 0.271 608 E C 0.692 177.282 176.600 -0.016 0.000 1.049 608 E CA 0.325 56.774 56.400 0.080 0.000 0.817 608 E CB -1.969 27.757 29.700 0.044 0.000 1.407 608 E HN 1.037 nan 8.360 nan 0.000 0.434 609 G N 0.138 108.962 108.800 0.041 0.000 2.153 609 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.252 609 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.252 609 G C 0.033 174.906 174.900 -0.044 0.000 0.994 609 G CA 1.052 46.160 45.100 0.013 0.000 0.698 609 G HN 0.265 nan 8.290 nan 0.000 0.521 610 K N 0.549 120.900 120.400 -0.081 0.000 2.208 610 K HA 0.585 4.905 4.320 -0.000 0.000 0.247 610 K C -0.406 176.240 176.600 0.077 0.000 0.953 610 K CA -0.561 55.609 56.287 -0.195 0.000 0.837 610 K CB 1.415 33.463 32.500 -0.753 0.000 1.131 610 K HN 0.294 nan 8.250 nan 0.000 0.431 611 D N -0.143 120.285 120.400 0.047 0.000 2.440 611 D HA 0.103 4.742 4.640 -0.000 0.000 0.258 611 D C 0.460 176.792 176.300 0.053 0.000 1.092 611 D CA -0.675 53.432 54.000 0.178 0.000 1.016 611 D CB 0.674 41.564 40.800 0.149 0.000 1.141 611 D HN 0.498 nan 8.370 nan 0.000 0.552 612 E N -0.968 119.227 120.200 -0.009 0.000 2.108 612 E HA -0.224 4.126 4.350 -0.000 0.000 0.203 612 E C 1.681 178.343 176.600 0.104 0.000 1.022 612 E CA 1.134 57.515 56.400 -0.031 0.000 0.823 612 E CB -0.180 29.581 29.700 0.101 0.000 0.744 612 E HN 0.332 nan 8.360 nan 0.000 0.456 613 L N 0.059 121.336 121.223 0.089 0.000 2.275 613 L HA -0.053 4.287 4.340 -0.000 0.000 0.215 613 L C 1.926 178.732 176.870 -0.107 0.000 1.119 613 L CA 1.521 56.366 54.840 0.008 0.000 0.790 613 L CB -0.309 41.605 42.059 -0.242 0.000 0.919 613 L HN 0.076 nan 8.230 nan 0.000 0.443 614 A N -2.135 120.602 122.820 -0.139 0.000 1.975 614 A HA -0.114 4.205 4.320 -0.000 0.000 0.215 614 A C 1.985 179.407 177.584 -0.270 0.000 1.170 614 A CA 0.758 52.633 52.037 -0.269 0.000 0.656 614 A CB -0.915 17.908 19.000 -0.295 0.000 0.821 614 A HN 0.578 nan 8.150 nan 0.000 0.449 615 W N -0.698 120.498 121.300 -0.175 0.000 2.436 615 W HA -0.122 4.538 4.660 -0.000 0.000 0.284 615 W C 2.405 178.879 176.519 -0.074 0.000 1.225 615 W CA 0.874 58.142 57.345 -0.127 0.000 1.271 615 W CB -0.358 29.013 29.460 -0.148 0.000 1.114 615 W HN 0.336 nan 8.180 nan 0.000 0.559 616 C N -0.773 118.609 119.300 0.136 0.000 2.425 616 C HA -0.179 4.281 4.460 -0.000 0.000 0.277 616 C C 2.477 177.383 174.990 -0.140 0.000 1.280 616 C CA 1.307 60.407 59.018 0.137 0.000 1.744 616 C CB -1.134 26.784 27.740 0.298 0.000 1.989 616 C HN 0.397 nan 8.230 nan 0.000 0.491 617 E N 0.311 120.095 120.200 -0.693 0.000 2.107 617 E HA -0.238 4.112 4.350 -0.000 0.000 0.191 617 E C 2.277 178.668 176.600 -0.349 0.000 0.982 617 E CA 0.833 56.550 56.400 -1.138 0.000 0.809 617 E CB -0.204 28.643 29.700 -1.421 0.000 0.756 617 E HN 0.690 nan 8.360 nan 0.000 0.459 618 Q N -0.586 119.091 119.800 -0.206 0.000 2.119 618 Q HA -0.215 4.125 4.340 -0.000 0.000 0.201 618 Q C 1.902 177.924 176.000 0.038 0.000 0.972 618 Q CA 1.313 57.051 55.803 -0.108 0.000 0.847 618 Q CB -0.194 28.457 28.738 -0.145 0.000 0.903 618 Q HN 0.398 nan 8.270 nan 0.000 0.433 619 Y N 0.142 120.476 120.300 0.057 0.000 2.145 619 Y HA -0.294 4.256 4.550 -0.000 0.000 0.286 619 Y C 1.917 177.914 175.900 0.160 0.000 1.145 619 Y CA 2.041 60.244 58.100 0.173 0.000 1.148 619 Y CB -0.496 38.095 38.460 0.218 0.000 0.981 619 Y HN 0.266 nan 8.280 nan 0.000 0.507 620 F N 1.399 121.512 119.950 0.272 0.000 2.091 620 F HA -0.330 4.196 4.527 -0.000 0.000 0.299 620 F C 2.041 177.897 175.800 0.094 0.000 1.103 620 F CA 2.247 60.401 58.000 0.257 0.000 1.228 620 F CB -0.631 38.603 39.000 0.389 0.000 0.984 620 F HN 0.074 nan 8.300 nan 0.000 0.477 621 N N 0.360 119.156 118.700 0.160 0.000 2.573 621 N HA -0.049 4.691 4.740 -0.000 0.000 0.187 621 N C 1.423 176.866 175.510 -0.111 0.000 1.107 621 N CA 0.961 54.020 53.050 0.015 0.000 0.918 621 N CB -0.306 38.200 38.487 0.033 0.000 0.966 621 N HN 0.413 nan 8.380 nan 0.000 0.448 622 A N 0.131 122.862 122.820 -0.148 0.000 2.308 622 A HA 0.091 4.411 4.320 -0.000 0.000 0.217 622 A C 1.314 178.834 177.584 -0.107 0.000 1.216 622 A CA 0.115 52.045 52.037 -0.178 0.000 0.864 622 A CB -0.082 18.722 19.000 -0.328 0.000 0.902 622 A HN 0.329 nan 8.150 nan 0.000 0.499 623 T N -3.944 110.484 114.554 -0.210 0.000 2.864 623 T HA 0.413 4.762 4.350 -0.000 0.000 0.276 623 T C 0.007 174.578 174.700 -0.215 0.000 1.006 623 T CA 0.009 61.954 62.100 -0.259 0.000 0.970 623 T CB 0.712 69.336 68.868 -0.406 0.000 1.420 623 T HN -0.079 nan 8.240 nan 0.000 0.601 624 D N -0.347 119.877 120.400 -0.292 0.000 2.349 624 D HA 0.224 4.864 4.640 -0.000 0.000 0.214 624 D C 1.731 178.014 176.300 -0.029 0.000 1.063 624 D CA -0.011 53.838 54.000 -0.252 0.000 0.847 624 D CB 0.010 40.467 40.800 -0.573 0.000 0.933 624 D HN 0.255 nan 8.370 nan 0.000 0.513 625 M N 0.388 119.910 119.600 -0.131 0.000 2.108 625 M HA -0.067 4.413 4.480 -0.000 0.000 0.261 625 M C -0.817 175.409 176.300 -0.124 0.000 1.066 625 M CA 1.267 56.469 55.300 -0.164 0.000 1.107 625 M CB -1.900 30.218 32.600 -0.803 0.000 1.356 625 M HN -0.046 nan 8.290 nan 0.000 0.406 626 P HA -0.171 nan 4.420 nan 0.000 0.218 626 P C 1.198 178.513 177.300 0.026 0.000 1.146 626 P CA 1.286 64.404 63.100 0.031 0.000 0.813 626 P CB -0.175 31.531 31.700 0.010 0.000 0.778 627 K N -2.009 118.383 120.400 -0.014 0.000 2.148 627 K HA -0.133 4.187 4.320 -0.000 0.000 0.204 627 K C 1.689 178.168 176.600 -0.201 0.000 1.050 627 K CA 1.391 57.607 56.287 -0.118 0.000 0.942 627 K CB -0.329 32.063 32.500 -0.180 0.000 0.724 627 K HN 0.308 nan 8.250 nan 0.000 0.446 628 Y N -0.212 120.088 120.300 -0.000 0.000 2.441 628 Y HA 0.184 4.734 4.550 -0.000 0.000 0.288 628 Y C 1.068 176.922 175.900 -0.076 0.000 1.118 628 Y CA -0.212 57.853 58.100 -0.059 0.000 1.215 628 Y CB 0.579 38.907 38.460 -0.220 0.000 1.118 628 Y HN -0.016 nan 8.280 nan 0.000 0.547 629 M N -1.263 118.388 119.600 0.085 0.000 2.643 629 M HA 0.433 4.913 4.480 -0.000 0.000 0.276 629 M C -0.698 175.754 176.300 0.253 0.000 1.200 629 M CA -0.935 54.437 55.300 0.120 0.000 0.863 629 M CB 1.788 34.428 32.600 0.067 0.000 1.711 629 M HN -0.050 nan 8.290 nan 0.000 0.492 630 T N -1.671 113.012 114.554 0.215 0.000 2.788 630 T HA 0.136 4.486 4.350 -0.000 0.000 0.287 630 T C 0.708 175.519 174.700 0.184 0.000 1.007 630 T CA -0.365 61.893 62.100 0.263 0.000 1.005 630 T CB 1.044 70.007 68.868 0.158 0.000 1.012 630 T HN 0.945 nan 8.240 nan 0.000 0.530 631 W N 1.054 122.280 121.300 -0.124 0.000 2.363 631 W HA -0.126 4.534 4.660 -0.000 0.000 0.296 631 W C 0.844 177.258 176.519 -0.176 0.000 1.212 631 W CA 1.637 58.638 57.345 -0.573 0.000 1.260 631 W CB -0.466 28.722 29.460 -0.453 0.000 1.131 631 W HN 0.701 nan 8.180 nan 0.000 0.530 632 D N 0.549 120.873 120.400 -0.126 0.000 2.144 632 D HA -0.173 4.467 4.640 -0.000 0.000 0.200 632 D C 1.983 178.209 176.300 -0.123 0.000 0.978 632 D CA 1.784 55.686 54.000 -0.163 0.000 0.833 632 D CB -0.418 40.370 40.800 -0.020 0.000 0.961 632 D HN 0.409 nan 8.370 nan 0.000 0.470 633 E N -0.373 119.796 120.200 -0.052 0.000 2.072 633 E HA -0.124 4.226 4.350 -0.000 0.000 0.190 633 E C 1.867 178.442 176.600 -0.043 0.000 0.982 633 E CA 0.324 56.713 56.400 -0.019 0.000 0.803 633 E CB -0.181 29.543 29.700 0.038 0.000 0.755 633 E HN 0.206 nan 8.360 nan 0.000 0.453 634 F N 1.249 121.069 119.950 -0.217 0.000 2.075 634 F HA -0.224 4.302 4.527 -0.000 0.000 0.297 634 F C 2.037 177.645 175.800 -0.320 0.000 1.113 634 F CA 1.292 59.150 58.000 -0.236 0.000 1.218 634 F CB -0.488 38.336 39.000 -0.294 0.000 0.984 634 F HN -0.036 nan 8.300 nan 0.000 0.472 635 F N 1.296 120.772 119.950 -0.790 0.000 2.154 635 F HA -0.229 4.298 4.527 -0.000 0.000 0.301 635 F C 2.504 178.009 175.800 -0.491 0.000 1.087 635 F CA 2.344 59.840 58.000 -0.840 0.000 1.274 635 F CB -0.530 37.887 39.000 -0.973 0.000 1.009 635 F HN 0.033 nan 8.300 nan 0.000 0.485 636 K N 0.390 120.648 120.400 -0.237 0.000 2.062 636 K HA -0.194 4.126 4.320 -0.000 0.000 0.205 636 K C 2.327 178.783 176.600 -0.239 0.000 1.051 636 K CA 1.353 57.532 56.287 -0.181 0.000 0.941 636 K CB -0.246 32.212 32.500 -0.069 0.000 0.719 636 K HN 0.222 nan 8.250 nan 0.000 0.440 637 K N -0.925 119.322 120.400 -0.255 0.000 2.155 637 K HA -0.097 4.223 4.320 -0.000 0.000 0.203 637 K C 1.160 177.602 176.600 -0.263 0.000 1.052 637 K CA 1.436 57.578 56.287 -0.241 0.000 0.948 637 K CB 0.047 32.410 32.500 -0.229 0.000 0.728 637 K HN 0.450 nan 8.250 nan 0.000 0.448 638 G N -0.223 108.312 108.800 -0.442 0.000 2.454 638 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.225 638 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.225 638 G C 0.025 174.786 174.900 -0.231 0.000 1.138 638 G CA 0.673 45.563 45.100 -0.351 0.000 0.667 638 G HN 0.519 nan 8.290 nan 0.000 0.512 639 Y N -1.910 118.282 120.300 -0.180 0.000 2.597 639 Y HA 0.793 5.343 4.550 -0.000 0.000 0.340 639 Y C -1.269 174.754 175.900 0.205 0.000 1.097 639 Y CA -2.276 55.840 58.100 0.028 0.000 1.037 639 Y CB 1.298 39.766 38.460 0.013 0.000 1.305 639 Y HN 0.637 nan 8.280 nan 0.000 0.463 640 F N 2.636 122.661 119.950 0.125 0.000 2.557 640 F HA 0.685 5.212 4.527 -0.000 0.000 0.316 640 F C -1.821 173.935 175.800 -0.073 0.000 1.141 640 F CA -1.195 56.785 58.000 -0.032 0.000 0.922 640 F CB 1.781 40.855 39.000 0.124 0.000 1.194 640 F HN 0.504 nan 8.300 nan 0.000 0.443 641 V N 6.819 126.133 119.914 -1.001 0.000 2.385 641 V HA 0.249 4.369 4.120 -0.000 0.000 0.269 641 V C -0.085 175.263 176.094 -1.244 0.000 1.043 641 V CA -0.807 60.976 62.300 -0.862 0.000 0.906 641 V CB 0.971 32.322 31.823 -0.787 0.000 0.995 641 V HN 0.588 nan 8.190 nan 0.000 0.467 642 V N 8.619 128.048 119.914 -0.808 0.000 2.599 642 V HA 0.092 4.212 4.120 -0.000 0.000 0.300 642 V C -1.681 174.106 176.094 -0.513 0.000 1.034 642 V CA -0.839 61.009 62.300 -0.755 0.000 1.115 642 V CB 0.475 31.980 31.823 -0.530 0.000 0.934 642 V HN 0.763 nan 8.190 nan 0.000 0.485 643 P HA 0.117 nan 4.420 nan 0.000 0.271 643 P C -0.594 176.664 177.300 -0.070 0.000 1.244 643 P CA -0.295 62.669 63.100 -0.225 0.000 0.793 643 P CB 0.436 32.052 31.700 -0.141 0.000 0.984 644 D N 0.250 120.666 120.400 0.026 0.000 2.283 644 D HA 0.137 4.776 4.640 -0.000 0.000 0.248 644 D C -0.414 175.938 176.300 0.088 0.000 1.072 644 D CA -0.183 53.872 54.000 0.091 0.000 0.929 644 D CB 0.178 41.066 40.800 0.147 0.000 1.182 644 D HN 0.066 nan 8.370 nan 0.000 0.433 645 N N 2.619 121.368 118.700 0.083 0.000 2.904 645 N HA 0.320 5.059 4.740 -0.000 0.000 0.257 645 N C -2.232 173.319 175.510 0.068 0.000 1.363 645 N CA -1.907 51.193 53.050 0.083 0.000 0.856 645 N CB 1.188 39.729 38.487 0.089 0.000 1.166 645 N HN 0.158 nan 8.380 nan 0.000 0.499 646 P HA -0.105 nan 4.420 nan 0.000 0.216 646 P C 0.661 177.997 177.300 0.060 0.000 1.154 646 P CA 1.217 64.362 63.100 0.075 0.000 0.865 646 P CB 0.369 32.116 31.700 0.078 0.000 0.789 647 N N -0.670 118.066 118.700 0.059 0.000 2.463 647 N HA -0.037 4.703 4.740 -0.000 0.000 0.181 647 N C 0.740 176.281 175.510 0.051 0.000 1.078 647 N CA 0.223 53.304 53.050 0.053 0.000 0.902 647 N CB -0.389 38.129 38.487 0.051 0.000 0.970 647 N HN 0.370 nan 8.380 nan 0.000 0.451 648 R N 2.217 122.750 120.500 0.055 0.000 2.623 648 R HA 0.058 4.397 4.340 -0.000 0.000 0.271 648 R C 0.227 176.560 176.300 0.056 0.000 1.043 648 R CA -0.420 55.715 56.100 0.058 0.000 1.083 648 R CB 0.380 30.720 30.300 0.067 0.000 0.974 648 R HN -0.001 nan 8.270 nan 0.000 0.436 649 K N 2.628 123.063 120.400 0.058 0.000 2.401 649 K HA 0.084 4.404 4.320 -0.000 0.000 0.278 649 K C -0.732 175.913 176.600 0.075 0.000 1.018 649 K CA -0.466 55.856 56.287 0.058 0.000 0.981 649 K CB 0.825 33.355 32.500 0.051 0.000 0.933 649 K HN 0.375 nan 8.250 nan 0.000 0.477 650 K N 2.927 123.372 120.400 0.075 0.000 2.276 650 K HA 0.114 4.434 4.320 -0.000 0.000 0.283 650 K C -0.410 176.254 176.600 0.106 0.000 1.044 650 K CA -0.387 55.958 56.287 0.096 0.000 0.944 650 K CB 1.253 33.797 32.500 0.073 0.000 1.012 650 K HN 0.864 nan 8.250 nan 0.000 0.472 651 T N -1.485 113.150 114.554 0.135 0.000 3.064 651 T HA 0.274 4.624 4.350 -0.000 0.000 0.367 651 T C 0.124 174.924 174.700 0.166 0.000 1.202 651 T CA -0.846 61.333 62.100 0.132 0.000 1.133 651 T CB 0.306 69.225 68.868 0.085 0.000 1.074 651 T HN 0.109 nan 8.240 nan 0.000 0.519 652 V N 3.072 123.076 119.914 0.151 0.000 2.655 652 V HA 0.433 4.553 4.120 -0.000 0.000 0.300 652 V C 1.381 177.588 176.094 0.189 0.000 1.044 652 V CA -0.475 61.904 62.300 0.132 0.000 1.095 652 V CB 0.131 32.002 31.823 0.078 0.000 0.952 652 V HN 1.140 nan 8.190 nan 0.000 0.485 653 A N 5.516 128.439 122.820 0.172 0.000 2.580 653 A HA 0.279 4.599 4.320 -0.000 0.000 0.244 653 A C 1.067 178.747 177.584 0.161 0.000 1.045 653 A CA 0.249 52.415 52.037 0.214 0.000 0.761 653 A CB -0.699 18.356 19.000 0.091 0.000 0.962 653 A HN 1.278 nan 8.150 nan 0.000 0.512 654 L N -0.156 121.177 121.223 0.183 0.000 4.813 654 L HA -0.299 4.040 4.340 -0.000 0.000 0.434 654 L C 1.988 178.717 176.870 -0.234 0.000 1.106 654 L CA 1.230 55.964 54.840 -0.178 0.000 0.991 654 L CB -1.267 40.788 42.059 -0.007 0.000 2.005 654 L HN 0.964 nan 8.230 nan 0.000 0.817 655 R N 1.139 121.621 120.500 -0.031 0.000 2.115 655 R HA -0.144 4.196 4.340 -0.000 0.000 0.226 655 R C 2.229 178.529 176.300 0.001 0.000 1.100 655 R CA 1.900 58.011 56.100 0.019 0.000 0.980 655 R CB -0.179 30.180 30.300 0.099 0.000 0.875 655 R HN 0.741 nan 8.270 nan 0.000 0.445 656 W N -0.233 121.141 121.300 0.124 0.000 2.363 656 W HA -0.199 4.461 4.660 -0.000 0.000 0.296 656 W C 1.451 178.043 176.519 0.122 0.000 1.212 656 W CA 0.238 57.640 57.345 0.095 0.000 1.260 656 W CB -1.218 28.293 29.460 0.084 0.000 1.131 656 W HN 0.044 nan 8.180 nan 0.000 0.530 657 F N 2.864 122.250 119.950 -0.940 0.000 2.128 657 F HA 0.137 4.663 4.527 -0.000 0.000 0.295 657 F C 2.619 178.199 175.800 -0.367 0.000 1.100 657 F CA 2.387 59.902 58.000 -0.808 0.000 1.260 657 F CB -0.928 37.360 39.000 -1.187 0.000 1.009 657 F HN -0.109 nan 8.300 nan 0.000 0.476 658 A N -0.107 122.495 122.820 -0.363 0.000 1.972 658 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 658 A C 1.949 179.389 177.584 -0.240 0.000 1.169 658 A CA 1.866 53.765 52.037 -0.231 0.000 0.635 658 A CB -0.759 18.313 19.000 0.120 0.000 0.810 658 A HN 0.600 nan 8.150 nan 0.000 0.446 659 E N -1.622 118.484 120.200 -0.157 0.000 2.474 659 E HA 0.300 4.650 4.350 -0.000 0.000 0.195 659 E C 0.931 177.472 176.600 -0.098 0.000 1.039 659 E CA 0.167 56.512 56.400 -0.092 0.000 0.881 659 E CB 0.053 29.747 29.700 -0.010 0.000 0.970 659 E HN 0.680 nan 8.360 nan 0.000 0.486 660 G N 2.887 111.589 108.800 -0.163 0.000 2.179 660 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.257 660 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.257 660 G C 0.270 175.186 174.900 0.026 0.000 1.010 660 G CA 0.959 45.997 45.100 -0.103 0.000 0.736 660 G HN 0.346 nan 8.290 nan 0.000 0.513 661 R N -1.036 119.531 120.500 0.112 0.000 2.981 661 R HA 0.752 5.092 4.340 -0.000 0.000 0.228 661 R C -0.440 176.004 176.300 0.240 0.000 1.421 661 R CA -0.993 55.193 56.100 0.142 0.000 1.073 661 R CB 0.827 31.195 30.300 0.113 0.000 1.568 661 R HN 0.106 nan 8.270 nan 0.000 0.514 662 E N 1.742 122.021 120.200 0.132 0.000 2.360 662 E HA 0.033 4.382 4.350 -0.000 0.000 0.269 662 E C -0.579 175.983 176.600 -0.063 0.000 1.022 662 E CA -0.332 56.094 56.400 0.044 0.000 0.887 662 E CB 0.633 30.314 29.700 -0.033 0.000 0.990 662 E HN 0.228 nan 8.360 nan 0.000 0.426 663 K N 3.402 123.541 120.400 -0.435 0.000 2.504 663 K HA -0.124 4.196 4.320 -0.000 0.000 0.278 663 K C -0.375 175.840 176.600 -0.641 0.000 1.025 663 K CA 0.545 56.078 56.287 -1.256 0.000 1.093 663 K CB 0.295 31.909 32.500 -1.478 0.000 0.873 663 K HN 0.650 nan 8.250 nan 0.000 0.483 664 D N 1.458 121.541 120.400 -0.527 0.000 2.527 664 D HA -0.017 4.623 4.640 -0.000 0.000 0.224 664 D C 0.409 176.596 176.300 -0.189 0.000 1.217 664 D CA -0.280 53.585 54.000 -0.226 0.000 0.819 664 D CB -0.013 40.756 40.800 -0.052 0.000 1.061 664 D HN 0.489 nan 8.370 nan 0.000 0.515 665 T N -2.400 111.994 114.554 -0.266 0.000 2.862 665 T HA 0.460 4.810 4.350 -0.000 0.000 0.276 665 T C -1.975 172.489 174.700 -0.393 0.000 0.974 665 T CA -1.443 60.483 62.100 -0.290 0.000 0.966 665 T CB 1.818 70.559 68.868 -0.212 0.000 1.072 665 T HN -0.356 nan 8.240 nan 0.000 0.538 666 P HA 0.149 nan 4.420 nan 0.000 0.242 666 P C 0.099 177.309 177.300 -0.150 0.000 1.197 666 P CA 0.102 62.951 63.100 -0.418 0.000 0.765 666 P CB -0.129 31.277 31.700 -0.491 0.000 0.936 667 D N -0.937 119.370 120.400 -0.154 0.000 2.515 667 D HA -0.130 4.509 4.640 -0.000 0.000 0.232 667 D C 0.170 176.593 176.300 0.205 0.000 1.157 667 D CA 0.230 54.383 54.000 0.256 0.000 0.871 667 D CB 0.305 41.343 40.800 0.397 0.000 1.200 667 D HN 0.032 nan 8.370 nan 0.000 0.466 668 W N 2.226 123.381 121.300 -0.242 0.000 3.434 668 W HA 0.384 5.044 4.660 -0.000 0.000 0.297 668 W C 0.868 176.849 176.519 -0.896 0.000 1.295 668 W CA -0.239 56.818 57.345 -0.480 0.000 1.731 668 W CB -0.549 28.532 29.460 -0.632 0.000 1.070 668 W HN 0.382 nan 8.180 nan 0.000 0.726 669 G N -0.465 107.709 108.800 -1.043 0.000 2.559 669 G HA2 0.449 4.409 3.960 -0.000 0.000 0.291 669 G HA3 0.449 4.409 3.960 -0.000 0.000 0.291 669 G C -3.099 171.109 174.900 -1.153 0.000 1.424 669 G CA -1.096 42.916 45.100 -1.813 0.000 0.786 669 G HN -0.404 nan 8.290 nan 0.000 0.485 670 P HA 0.334 nan 4.420 nan 0.000 0.276 670 P C -0.475 176.504 177.300 -0.535 0.000 1.261 670 P CA -0.438 62.126 63.100 -0.894 0.000 0.800 670 P CB 1.224 32.780 31.700 -0.239 0.000 1.066 671 R N 0.428 120.714 120.500 -0.356 0.000 2.594 671 R HA 0.184 4.524 4.340 -0.000 0.000 0.272 671 R C 1.824 178.023 176.300 -0.168 0.000 1.074 671 R CA -0.460 55.506 56.100 -0.223 0.000 1.105 671 R CB 0.053 30.273 30.300 -0.132 0.000 1.008 671 R HN 0.453 nan 8.270 nan 0.000 0.472 672 L N 2.167 123.298 121.223 -0.153 0.000 2.051 672 L HA -0.333 4.007 4.340 -0.000 0.000 0.214 672 L C 1.911 178.730 176.870 -0.085 0.000 1.076 672 L CA 2.298 57.065 54.840 -0.122 0.000 0.758 672 L CB -0.761 41.229 42.059 -0.116 0.000 0.890 672 L HN 0.776 nan 8.230 nan 0.000 0.433 673 N N -0.710 117.947 118.700 -0.072 0.000 2.520 673 N HA -0.195 4.545 4.740 -0.000 0.000 0.185 673 N C 1.047 176.536 175.510 -0.035 0.000 1.068 673 N CA 1.194 54.216 53.050 -0.047 0.000 0.911 673 N CB -0.399 38.066 38.487 -0.036 0.000 0.961 673 N HN 0.415 nan 8.380 nan 0.000 0.446 674 N N -0.775 117.899 118.700 -0.044 0.000 2.276 674 N HA 0.131 4.871 4.740 -0.000 0.000 0.212 674 N C -0.796 174.702 175.510 -0.021 0.000 1.127 674 N CA -0.141 52.894 53.050 -0.025 0.000 0.834 674 N CB 0.362 38.839 38.487 -0.017 0.000 1.014 674 N HN 0.319 nan 8.380 nan 0.000 0.491 675 Q N -0.103 119.678 119.800 -0.031 0.000 2.456 675 Q HA 0.436 4.776 4.340 -0.000 0.000 0.284 675 Q C -1.355 174.637 176.000 -0.014 0.000 1.061 675 Q CA -0.811 54.983 55.803 -0.016 0.000 0.799 675 Q CB 3.045 31.760 28.738 -0.039 0.000 1.445 675 Q HN -0.094 nan 8.270 nan 0.000 0.411 676 V N 1.222 121.138 119.914 0.004 0.000 2.328 676 V HA 0.113 4.233 4.120 -0.000 0.000 0.278 676 V C -0.036 176.057 176.094 -0.001 0.000 1.021 676 V CA -0.352 61.948 62.300 0.000 0.000 0.838 676 V CB 0.983 32.812 31.823 0.009 0.000 0.999 676 V HN 1.076 nan 8.190 nan 0.000 0.447 677 C N 5.618 124.908 119.300 -0.017 0.000 4.268 677 C HA -0.154 4.306 4.460 -0.000 0.000 0.299 677 C C 1.417 176.391 174.990 -0.026 0.000 1.429 677 C CA 0.844 59.849 59.018 -0.022 0.000 2.018 677 C CB -2.369 25.364 27.740 -0.011 0.000 1.277 677 C HN 1.186 nan 8.230 nan 0.000 0.767 678 R N -1.859 118.615 120.500 -0.044 0.000 3.405 678 R HA -0.238 4.101 4.340 -0.000 0.000 0.258 678 R C -0.437 175.845 176.300 -0.031 0.000 1.030 678 R CA 1.646 57.703 56.100 -0.073 0.000 0.691 678 R CB -1.752 28.474 30.300 -0.122 0.000 1.093 678 R HN 0.774 nan 8.270 nan 0.000 0.448 679 K N 0.160 120.588 120.400 0.048 0.000 2.395 679 K HA 0.694 5.014 4.320 -0.000 0.000 0.247 679 K C 0.400 177.136 176.600 0.227 0.000 0.973 679 K CA -0.352 56.034 56.287 0.165 0.000 0.828 679 K CB 2.172 34.746 32.500 0.123 0.000 1.272 679 K HN 0.379 nan 8.250 nan 0.000 0.439 680 G N 0.741 109.786 108.800 0.408 0.000 2.795 680 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.664 680 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.664 680 G C -0.576 174.513 174.900 0.316 0.000 1.381 680 G CA -0.902 44.423 45.100 0.375 0.000 0.853 680 G HN 0.391 nan 8.290 nan 0.000 0.545 681 L N 0.009 121.301 121.223 0.115 0.000 2.479 681 L HA 0.363 4.703 4.340 -0.000 0.000 0.249 681 L C 2.219 179.087 176.870 -0.004 0.000 1.178 681 L CA 0.057 54.861 54.840 -0.059 0.000 0.811 681 L CB 0.693 42.593 42.059 -0.265 0.000 1.187 681 L HN 0.903 nan 8.230 nan 0.000 0.480 682 Q N 0.206 119.986 119.800 -0.034 0.000 2.291 682 Q HA -0.087 4.253 4.340 -0.000 0.000 0.206 682 Q C 0.626 176.630 176.000 0.005 0.000 0.976 682 Q CA 0.930 56.745 55.803 0.021 0.000 0.875 682 Q CB 0.020 28.817 28.738 0.099 0.000 0.927 682 Q HN 0.835 nan 8.270 nan 0.000 0.450 683 T N -2.359 112.194 114.554 -0.003 0.000 2.855 683 T HA -0.006 4.344 4.350 -0.000 0.000 0.322 683 T C 1.049 175.762 174.700 0.021 0.000 1.088 683 T CA 0.242 62.355 62.100 0.022 0.000 1.104 683 T CB 0.956 69.853 68.868 0.048 0.000 0.996 683 T HN 0.083 nan 8.240 nan 0.000 0.549 684 T N 1.674 116.240 114.554 0.020 0.000 2.665 684 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 684 T C 2.256 176.947 174.700 -0.015 0.000 1.035 684 T CA 2.349 64.451 62.100 0.004 0.000 1.151 684 T CB -1.000 67.869 68.868 0.002 0.000 0.862 684 T HN 1.000 nan 8.240 nan 0.000 0.438 685 T N -1.339 113.191 114.554 -0.040 0.000 3.055 685 T HA 0.300 4.650 4.350 -0.000 0.000 0.265 685 T C 1.847 176.559 174.700 0.020 0.000 1.111 685 T CA 1.068 63.133 62.100 -0.058 0.000 1.118 685 T CB -0.311 68.460 68.868 -0.162 0.000 0.909 685 T HN 0.602 nan 8.240 nan 0.000 0.501 686 G N 1.156 109.985 108.800 0.049 0.000 2.179 686 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.260 686 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.260 686 G C -0.009 174.993 174.900 0.172 0.000 0.977 686 G CA 0.463 45.620 45.100 0.095 0.000 0.641 686 G HN 0.703 nan 8.290 nan 0.000 0.533 687 K N -0.773 119.725 120.400 0.163 0.000 2.313 687 K HA 0.695 5.015 4.320 -0.000 0.000 0.235 687 K C 0.097 176.839 176.600 0.236 0.000 1.035 687 K CA -1.010 55.434 56.287 0.261 0.000 0.868 687 K CB 2.150 34.792 32.500 0.235 0.000 1.232 687 K HN -0.002 nan 8.250 nan 0.000 0.459 688 V N 2.404 122.504 119.914 0.311 0.000 2.439 688 V HA 0.023 4.143 4.120 -0.000 0.000 0.271 688 V C -0.237 176.013 176.094 0.260 0.000 1.040 688 V CA 0.110 62.546 62.300 0.226 0.000 1.002 688 V CB 0.220 32.185 31.823 0.237 0.000 1.000 688 V HN 0.601 nan 8.190 nan 0.000 0.477 689 E N 4.617 124.915 120.200 0.162 0.000 2.014 689 E HA 0.240 4.590 4.350 -0.000 0.000 0.275 689 E C -0.125 176.532 176.600 0.095 0.000 0.997 689 E CA -0.252 56.294 56.400 0.244 0.000 0.804 689 E CB 0.619 30.467 29.700 0.246 0.000 1.090 689 E HN 0.610 nan 8.360 nan 0.000 0.401 690 F N 1.597 121.550 119.950 0.005 0.000 2.502 690 F HA 0.050 4.577 4.527 -0.000 0.000 0.298 690 F C 0.967 176.773 175.800 0.010 0.000 1.111 690 F CA 0.615 58.541 58.000 -0.124 0.000 1.445 690 F CB 0.254 39.094 39.000 -0.266 0.000 1.081 690 F HN 0.336 nan 8.300 nan 0.000 0.558 691 I N 0.429 121.133 120.570 0.222 0.000 2.495 691 I HA 0.313 4.483 4.170 -0.000 0.000 0.277 691 I C -0.165 176.069 176.117 0.196 0.000 1.045 691 I CA -0.866 60.539 61.300 0.175 0.000 1.135 691 I CB 0.876 38.950 38.000 0.123 0.000 1.241 691 I HN -0.189 nan 8.210 nan 0.000 0.469 692 A N 3.961 126.873 122.820 0.154 0.000 2.522 692 A HA 0.226 4.546 4.320 -0.000 0.000 0.256 692 A C 1.549 179.225 177.584 0.153 0.000 1.086 692 A CA 0.233 52.363 52.037 0.155 0.000 0.763 692 A CB 0.041 19.119 19.000 0.130 0.000 1.024 692 A HN 0.849 nan 8.150 nan 0.000 0.502 693 T N 0.908 115.562 114.554 0.167 0.000 2.746 693 T HA -0.224 4.125 4.350 -0.000 0.000 0.267 693 T C 2.015 176.784 174.700 0.116 0.000 1.039 693 T CA 1.829 64.013 62.100 0.140 0.000 1.142 693 T CB -0.825 68.107 68.868 0.106 0.000 0.866 693 T HN 1.058 nan 8.240 nan 0.000 0.444 694 S N 2.653 118.424 115.700 0.118 0.000 2.359 694 S HA -0.039 4.430 4.470 -0.000 0.000 0.224 694 S C 2.136 176.781 174.600 0.076 0.000 1.035 694 S CA 1.180 59.445 58.200 0.109 0.000 1.018 694 S CB -1.092 62.215 63.200 0.178 0.000 0.876 694 S HN 0.503 nan 8.310 nan 0.000 0.448 695 L N 1.264 122.497 121.223 0.017 0.000 2.093 695 L HA -0.018 4.322 4.340 -0.000 0.000 0.208 695 L C 2.933 179.889 176.870 0.144 0.000 1.085 695 L CA 1.510 56.368 54.840 0.029 0.000 0.755 695 L CB -0.485 41.542 42.059 -0.053 0.000 0.904 695 L HN 0.367 nan 8.230 nan 0.000 0.435 696 K N 0.627 121.098 120.400 0.118 0.000 2.097 696 K HA -0.188 4.132 4.320 -0.000 0.000 0.206 696 K C 1.740 178.412 176.600 0.119 0.000 1.049 696 K CA 1.708 58.065 56.287 0.116 0.000 0.933 696 K CB -0.033 32.535 32.500 0.114 0.000 0.717 696 K HN 0.415 nan 8.250 nan 0.000 0.442 697 N N -0.386 118.392 118.700 0.131 0.000 2.080 697 N HA -0.167 4.573 4.740 -0.000 0.000 0.189 697 N C 1.685 177.299 175.510 0.174 0.000 1.036 697 N CA 1.053 54.181 53.050 0.130 0.000 0.846 697 N CB -0.210 38.351 38.487 0.123 0.000 1.015 697 N HN 0.059 nan 8.380 nan 0.000 0.423 698 F N 2.658 122.613 119.950 0.008 0.000 2.063 698 F HA -0.244 4.282 4.527 -0.000 0.000 0.298 698 F C 2.299 178.153 175.800 0.091 0.000 1.109 698 F CA 1.714 59.706 58.000 -0.014 0.000 1.212 698 F CB -0.487 38.454 39.000 -0.099 0.000 0.973 698 F HN 0.161 nan 8.300 nan 0.000 0.480 699 E N -0.613 119.625 120.200 0.064 0.000 2.150 699 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 699 E C 1.838 178.428 176.600 -0.017 0.000 0.985 699 E CA 1.465 57.851 56.400 -0.023 0.000 0.814 699 E CB -0.791 28.938 29.700 0.047 0.000 0.752 699 E HN 0.566 nan 8.360 nan 0.000 0.466 700 E N 0.895 121.111 120.200 0.027 0.000 2.347 700 E HA -0.126 4.224 4.350 -0.000 0.000 0.196 700 E C 1.691 178.294 176.600 0.005 0.000 1.008 700 E CA 0.576 56.987 56.400 0.019 0.000 0.852 700 E CB 0.014 29.739 29.700 0.040 0.000 0.783 700 E HN 0.390 nan 8.360 nan 0.000 0.505 701 Q N -0.702 119.111 119.800 0.022 0.000 2.444 701 Q HA 0.066 4.406 4.340 -0.000 0.000 0.206 701 Q C 0.974 176.917 176.000 -0.094 0.000 0.948 701 Q CA 0.441 56.264 55.803 0.034 0.000 0.946 701 Q CB 0.801 29.636 28.738 0.161 0.000 1.027 701 Q HN 0.388 nan 8.270 nan 0.000 0.513 702 G N -0.067 108.638 108.800 -0.160 0.000 2.179 702 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.220 702 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.220 702 G C -0.338 174.293 174.900 -0.448 0.000 0.990 702 G CA -0.541 44.383 45.100 -0.293 0.000 0.646 702 G HN 0.346 nan 8.290 nan 0.000 0.517 703 Y N 2.038 122.040 120.300 -0.497 0.000 2.636 703 Y HA 0.456 5.006 4.550 -0.000 0.000 0.334 703 Y C 0.932 176.647 175.900 -0.308 0.000 1.286 703 Y CA -1.027 56.663 58.100 -0.683 0.000 1.688 703 Y CB 0.081 37.354 38.460 -1.978 0.000 1.662 703 Y HN 0.068 nan 8.280 nan 0.000 0.465 704 I N 2.563 123.153 120.570 0.033 0.000 2.452 704 I HA 0.040 4.209 4.170 -0.000 0.000 0.287 704 I C 0.088 176.338 176.117 0.223 0.000 1.079 704 I CA -0.121 61.237 61.300 0.097 0.000 1.387 704 I CB 0.452 38.474 38.000 0.036 0.000 1.404 704 I HN 0.448 nan 8.210 nan 0.000 0.522 705 D N 5.476 126.016 120.400 0.235 0.000 2.358 705 D HA 0.107 4.747 4.640 -0.000 0.000 0.253 705 D C 0.904 177.310 176.300 0.176 0.000 1.288 705 D CA -0.360 53.790 54.000 0.249 0.000 0.950 705 D CB 0.939 41.998 40.800 0.433 0.000 1.197 705 D HN 0.620 nan 8.370 nan 0.000 0.550 706 E N 1.762 122.032 120.200 0.116 0.000 2.114 706 E HA -0.265 4.085 4.350 -0.000 0.000 0.199 706 E C 0.237 176.802 176.600 -0.057 0.000 1.008 706 E CA 1.389 57.792 56.400 0.005 0.000 0.810 706 E CB 0.105 29.767 29.700 -0.063 0.000 0.739 706 E HN 0.535 nan 8.360 nan 0.000 0.456 707 H N -1.022 118.120 119.070 0.120 0.000 2.592 707 H HA 0.277 4.833 4.556 -0.000 0.000 0.291 707 H C 0.041 175.465 175.328 0.160 0.000 1.052 707 H CA 0.260 56.404 56.048 0.159 0.000 1.175 707 H CB 0.257 30.161 29.762 0.237 0.000 1.378 707 H HN -0.092 nan 8.280 nan 0.000 0.576 708 R N 1.366 121.999 120.500 0.221 0.000 2.672 708 R HA 0.121 4.461 4.340 -0.000 0.000 0.228 708 R C -3.202 173.197 176.300 0.165 0.000 1.501 708 R CA -1.320 54.901 56.100 0.202 0.000 1.514 708 R CB 0.652 31.095 30.300 0.238 0.000 1.489 708 R HN 0.145 nan 8.270 nan 0.000 0.747 709 P HA 0.057 nan 4.420 nan 0.000 0.274 709 P C 0.678 178.037 177.300 0.098 0.000 1.231 709 P CA 0.029 63.187 63.100 0.096 0.000 0.790 709 P CB 1.411 33.142 31.700 0.052 0.000 0.951 710 S N 2.162 117.917 115.700 0.091 0.000 2.400 710 S HA -0.138 4.332 4.470 -0.000 0.000 0.232 710 S C 1.155 175.820 174.600 0.107 0.000 1.025 710 S CA 0.765 59.019 58.200 0.090 0.000 0.993 710 S CB -0.574 62.683 63.200 0.095 0.000 0.808 710 S HN 0.615 nan 8.310 nan 0.000 0.478 711 M N 2.338 122.001 119.600 0.106 0.000 2.264 711 M HA 0.295 4.774 4.480 -0.000 0.000 0.352 711 M C -0.435 175.987 176.300 0.203 0.000 1.173 711 M CA -0.670 54.723 55.300 0.155 0.000 1.075 711 M CB 0.947 33.614 32.600 0.110 0.000 1.621 711 M HN 0.314 nan 8.290 nan 0.000 0.457 712 H N 4.169 123.360 119.070 0.201 0.000 3.026 712 H HA 0.308 4.864 4.556 -0.000 0.000 0.289 712 H C -0.981 174.651 175.328 0.507 0.000 1.022 712 H CA 0.785 57.010 56.048 0.295 0.000 1.477 712 H CB 0.137 30.023 29.762 0.208 0.000 1.510 712 H HN 0.751 nan 8.280 nan 0.000 0.535 713 T N 1.547 116.217 114.554 0.194 0.000 2.778 713 T HA 0.162 4.512 4.350 -0.000 0.000 0.293 713 T C -0.777 174.095 174.700 0.287 0.000 1.144 713 T CA -0.996 61.051 62.100 -0.088 0.000 1.010 713 T CB 0.503 69.056 68.868 -0.525 0.000 1.325 713 T HN 0.463 nan 8.240 nan 0.000 0.515 714 Y N 1.874 122.209 120.300 0.059 0.000 2.632 714 Y HA 0.508 5.058 4.550 -0.000 0.000 0.336 714 Y C -0.413 175.639 175.900 0.253 0.000 1.237 714 Y CA -0.929 57.334 58.100 0.271 0.000 1.595 714 Y CB -0.615 37.888 38.460 0.070 0.000 1.508 714 Y HN 0.501 nan 8.280 nan 0.000 0.480 715 V N 7.841 127.774 119.914 0.032 0.000 2.455 715 V HA 0.186 4.306 4.120 -0.000 0.000 0.273 715 V C -1.985 174.000 176.094 -0.183 0.000 1.045 715 V CA -1.865 60.412 62.300 -0.039 0.000 0.976 715 V CB 0.605 32.459 31.823 0.052 0.000 0.993 715 V HN 0.607 nan 8.190 nan 0.000 0.475 716 P HA 0.160 nan 4.420 nan 0.000 0.267 716 P C -0.169 177.124 177.300 -0.012 0.000 1.205 716 P CA 0.036 62.924 63.100 -0.352 0.000 0.765 716 P CB 0.503 31.865 31.700 -0.563 0.000 0.828 717 A N 5.323 128.169 122.820 0.042 0.000 2.545 717 A HA -0.026 4.294 4.320 -0.000 0.000 0.253 717 A C 1.352 178.973 177.584 0.062 0.000 1.074 717 A CA -0.376 51.660 52.037 -0.000 0.000 0.760 717 A CB -0.512 18.452 19.000 -0.061 0.000 1.005 717 A HN 0.825 nan 8.150 nan 0.000 0.506 718 W N 1.882 123.254 121.300 0.119 0.000 2.468 718 W HA 0.006 4.666 4.660 -0.000 0.000 0.262 718 W C 0.162 176.720 176.519 0.065 0.000 1.241 718 W CA 0.745 58.140 57.345 0.083 0.000 1.232 718 W CB -0.211 29.211 29.460 -0.063 0.000 1.124 718 W HN 0.726 nan 8.180 nan 0.000 0.597 719 E N 2.150 122.333 120.200 -0.029 0.000 3.167 719 E HA 0.195 4.545 4.350 -0.000 0.000 0.212 719 E C -0.630 175.937 176.600 -0.054 0.000 1.143 719 E CA -0.211 56.197 56.400 0.013 0.000 1.002 719 E CB 0.249 29.873 29.700 -0.126 0.000 1.315 719 E HN 0.075 nan 8.360 nan 0.000 0.422 720 S N 0.723 116.445 115.700 0.038 0.000 2.632 720 S HA 0.307 4.777 4.470 -0.000 0.000 0.289 720 S C 0.883 175.500 174.600 0.028 0.000 1.115 720 S CA -0.768 57.444 58.200 0.021 0.000 0.889 720 S CB 1.699 64.951 63.200 0.086 0.000 1.116 720 S HN 0.300 nan 8.310 nan 0.000 0.486 721 Q N 0.934 120.724 119.800 -0.017 0.000 2.050 721 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 721 Q C 1.893 177.844 176.000 -0.082 0.000 0.980 721 Q CA 1.990 57.770 55.803 -0.039 0.000 0.840 721 Q CB -0.289 28.417 28.738 -0.053 0.000 0.898 721 Q HN 0.878 nan 8.270 nan 0.000 0.424 722 K N -1.086 119.200 120.400 -0.189 0.000 2.400 722 K HA -0.020 4.299 4.320 -0.000 0.000 0.194 722 K C 1.107 177.475 176.600 -0.388 0.000 1.033 722 K CA 0.834 56.928 56.287 -0.322 0.000 1.021 722 K CB 0.306 32.536 32.500 -0.451 0.000 0.808 722 K HN 0.237 nan 8.250 nan 0.000 0.505 723 H N -0.109 118.999 119.070 0.063 0.000 2.681 723 H HA 0.138 4.694 4.556 -0.000 0.000 0.268 723 H C 0.171 175.564 175.328 0.109 0.000 0.967 723 H CA 0.006 56.110 56.048 0.095 0.000 1.233 723 H CB 0.653 30.489 29.762 0.123 0.000 1.445 723 H HN 0.105 nan 8.280 nan 0.000 0.494 724 S N 2.331 118.145 115.700 0.191 0.000 2.499 724 S HA 0.117 4.587 4.470 -0.000 0.000 0.275 724 S C -1.601 173.072 174.600 0.122 0.000 1.257 724 S CA -1.325 56.981 58.200 0.177 0.000 1.050 724 S CB 1.196 64.499 63.200 0.172 0.000 0.937 724 S HN -0.033 nan 8.310 nan 0.000 0.490 725 P HA -0.038 nan 4.420 nan 0.000 0.225 725 P C 1.103 178.446 177.300 0.072 0.000 1.148 725 P CA 0.324 63.473 63.100 0.082 0.000 0.779 725 P CB 0.164 31.912 31.700 0.080 0.000 0.780 726 L N -0.702 120.586 121.223 0.108 0.000 2.291 726 L HA 0.042 4.382 4.340 -0.000 0.000 0.214 726 L C 2.187 179.121 176.870 0.106 0.000 1.120 726 L CA 1.130 56.055 54.840 0.142 0.000 0.799 726 L CB -1.594 40.592 42.059 0.210 0.000 0.925 726 L HN -0.103 nan 8.230 nan 0.000 0.446 727 A N -1.391 121.472 122.820 0.072 0.000 2.070 727 A HA -0.122 4.198 4.320 -0.000 0.000 0.220 727 A C 2.269 179.839 177.584 -0.023 0.000 1.159 727 A CA 1.535 53.592 52.037 0.034 0.000 0.656 727 A CB -0.678 18.332 19.000 0.017 0.000 0.800 727 A HN 0.231 nan 8.150 nan 0.000 0.453 728 V N -0.289 119.601 119.914 -0.039 0.000 2.427 728 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 728 V C 2.429 178.439 176.094 -0.140 0.000 1.051 728 V CA 2.308 64.567 62.300 -0.068 0.000 1.048 728 V CB -0.498 31.296 31.823 -0.049 0.000 0.666 728 V HN 0.544 nan 8.190 nan 0.000 0.456 729 K N -1.202 119.046 120.400 -0.253 0.000 2.128 729 K HA 0.043 4.363 4.320 -0.000 0.000 0.202 729 K C -0.046 176.122 176.600 -0.720 0.000 1.050 729 K CA 0.656 56.611 56.287 -0.554 0.000 0.966 729 K CB 0.237 32.212 32.500 -0.875 0.000 0.759 729 K HN 0.468 nan 8.250 nan 0.000 0.454 730 Y N 0.906 121.181 120.300 -0.041 0.000 2.863 730 Y HA 0.209 4.759 4.550 -0.000 0.000 0.348 730 Y C -1.946 173.912 175.900 -0.070 0.000 1.028 730 Y CA -2.760 55.285 58.100 -0.092 0.000 1.213 730 Y CB 0.936 39.330 38.460 -0.111 0.000 1.120 730 Y HN 0.067 nan 8.280 nan 0.000 0.598 731 P HA -0.154 nan 4.420 nan 0.000 0.218 731 P C 0.188 177.488 177.300 0.001 0.000 1.149 731 P CA 1.043 64.142 63.100 -0.001 0.000 0.817 731 P CB 0.816 32.504 31.700 -0.020 0.000 0.785 732 L N 0.215 121.439 121.223 0.003 0.000 2.416 732 L HA 0.332 4.672 4.340 -0.000 0.000 0.272 732 L C 1.185 178.049 176.870 -0.012 0.000 1.161 732 L CA -0.462 54.372 54.840 -0.009 0.000 0.845 732 L CB 0.401 42.449 42.059 -0.018 0.000 1.119 732 L HN -0.070 nan 8.230 nan 0.000 0.464 733 G N 4.172 112.964 108.800 -0.014 0.000 2.319 733 G HA2 0.537 4.496 3.960 -0.000 0.000 0.308 733 G HA3 0.537 4.496 3.960 -0.000 0.000 0.308 733 G C -0.704 174.185 174.900 -0.017 0.000 1.117 733 G CA -0.516 44.572 45.100 -0.019 0.000 0.903 733 G HN 0.579 nan 8.290 nan 0.000 0.436 734 M N 3.795 123.376 119.600 -0.032 0.000 2.364 734 M HA 0.742 5.222 4.480 -0.000 0.000 0.334 734 M C -1.052 175.224 176.300 -0.041 0.000 1.107 734 M CA -1.045 54.233 55.300 -0.036 0.000 0.988 734 M CB 1.793 34.359 32.600 -0.057 0.000 1.673 734 M HN 0.465 nan 8.290 nan 0.000 0.441 735 L N 2.822 124.020 121.223 -0.040 0.000 2.365 735 L HA 0.842 5.182 4.340 -0.000 0.000 0.273 735 L C -0.953 175.824 176.870 -0.154 0.000 1.000 735 L CA -0.561 54.254 54.840 -0.041 0.000 0.819 735 L CB 2.210 44.294 42.059 0.042 0.000 1.284 735 L HN 0.784 nan 8.230 nan 0.000 0.418 736 S N 1.306 116.946 115.700 -0.101 0.000 2.060 736 S HA 0.575 5.045 4.470 -0.000 0.000 0.156 736 S C -2.577 172.058 174.600 0.058 0.000 1.690 736 S CA -1.151 56.986 58.200 -0.104 0.000 1.238 736 S CB 0.265 63.437 63.200 -0.046 0.000 1.150 736 S HN 0.554 nan 8.310 nan 0.000 0.437 737 P HA 0.136 nan 4.420 nan 0.000 0.285 737 P C -0.143 177.391 177.300 0.391 0.000 1.282 737 P CA -0.333 62.938 63.100 0.284 0.000 0.778 737 P CB 0.236 32.140 31.700 0.340 0.000 1.222 738 H N 0.417 119.501 119.070 0.023 0.000 2.722 738 H HA 0.124 4.680 4.556 -0.000 0.000 0.328 738 H C -1.638 173.421 175.328 -0.448 0.000 1.067 738 H CA -1.864 54.089 56.048 -0.159 0.000 1.447 738 H CB -0.168 29.436 29.762 -0.264 0.000 1.469 738 H HN 0.340 nan 8.280 nan 0.000 0.544 739 P HA -0.113 nan 4.420 nan 0.000 0.261 739 P C 0.611 177.535 177.300 -0.628 0.000 1.173 739 P CA 0.067 62.857 63.100 -0.516 0.000 0.760 739 P CB 1.087 32.793 31.700 0.011 0.000 0.783 740 R N 3.913 123.867 120.500 -0.909 0.000 2.075 740 R HA -0.035 4.305 4.340 -0.000 0.000 0.232 740 R C 1.068 176.950 176.300 -0.698 0.000 1.126 740 R CA 1.732 57.347 56.100 -0.808 0.000 0.963 740 R CB -0.961 28.744 30.300 -0.991 0.000 0.858 740 R HN 0.460 nan 8.270 nan 0.000 0.435 741 F N -0.105 119.814 119.950 -0.051 0.000 2.837 741 F HA 0.450 4.977 4.527 -0.000 0.000 0.298 741 F C -0.028 175.769 175.800 -0.005 0.000 1.161 741 F CA -0.322 57.651 58.000 -0.045 0.000 1.353 741 F CB 0.598 39.492 39.000 -0.177 0.000 0.951 741 F HN -0.065 nan 8.300 nan 0.000 0.508 742 S N 0.716 116.498 115.700 0.135 0.000 2.543 742 S HA 0.394 4.863 4.470 -0.000 0.000 0.274 742 S C -1.063 173.268 174.600 -0.448 0.000 1.149 742 S CA -0.698 57.475 58.200 -0.045 0.000 0.866 742 S CB 1.141 64.346 63.200 0.008 0.000 1.111 742 S HN 0.041 nan 8.310 nan 0.000 0.457 743 M N 5.676 124.733 119.600 -0.906 0.000 2.725 743 M HA 0.316 4.796 4.480 -0.000 0.000 0.322 743 M C 0.321 176.366 176.300 -0.424 0.000 1.393 743 M CA 0.842 55.609 55.300 -0.888 0.000 1.452 743 M CB -1.946 30.080 32.600 -0.957 0.000 1.242 743 M HN 0.927 nan 8.290 nan 0.000 0.487 744 H N 0.153 119.039 119.070 -0.307 0.000 1.452 744 H HA -0.244 4.312 4.556 -0.000 0.000 0.090 744 H C 1.202 176.431 175.328 -0.165 0.000 2.537 744 H CA 2.191 58.102 56.048 -0.228 0.000 1.901 744 H CB -1.349 28.285 29.762 -0.213 0.000 2.257 744 H HN 0.619 nan 8.280 nan 0.000 0.961 745 T N -0.050 114.510 114.554 0.010 0.000 3.098 745 T HA 0.037 4.387 4.350 -0.000 0.000 0.266 745 T C 1.323 175.930 174.700 -0.156 0.000 1.145 745 T CA 1.309 63.361 62.100 -0.080 0.000 1.092 745 T CB -0.231 68.579 68.868 -0.096 0.000 0.908 745 T HN 0.278 nan 8.240 nan 0.000 0.526 746 M N 1.928 121.442 119.600 -0.143 0.000 2.974 746 M HA 0.490 4.970 4.480 -0.000 0.000 0.301 746 M C 1.282 177.459 176.300 -0.205 0.000 1.409 746 M CA 0.057 55.233 55.300 -0.206 0.000 1.515 746 M CB 0.394 32.974 32.600 -0.035 0.000 1.163 746 M HN 0.518 nan 8.290 nan 0.000 0.520 747 G N 0.861 109.503 108.800 -0.264 0.000 3.819 747 G HA2 -0.146 3.813 3.960 -0.000 0.000 0.210 747 G HA3 -0.146 3.813 3.960 -0.000 0.000 0.210 747 G C -0.310 174.497 174.900 -0.154 0.000 1.018 747 G CA -0.627 44.376 45.100 -0.162 0.000 0.882 747 G HN 0.533 nan 8.290 nan 0.000 0.377 748 D N 0.684 121.047 120.400 -0.061 0.000 2.344 748 D HA 0.508 5.148 4.640 -0.000 0.000 0.244 748 D C 1.358 177.625 176.300 -0.055 0.000 1.134 748 D CA 1.909 55.981 54.000 0.120 0.000 0.930 748 D CB 0.721 41.719 40.800 0.331 0.000 1.175 748 D HN 1.314 nan 8.370 nan 0.000 0.437 749 G N 2.093 110.888 108.800 -0.007 0.000 2.564 749 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.273 749 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.273 749 G C 0.123 174.917 174.900 -0.177 0.000 1.242 749 G CA 0.472 45.511 45.100 -0.101 0.000 0.951 749 G HN 0.913 nan 8.290 nan 0.000 0.564 750 K N -0.897 119.396 120.400 -0.179 0.000 3.104 750 K HA -0.352 3.968 4.320 -0.000 0.000 0.285 750 K C 0.689 177.219 176.600 -0.117 0.000 1.136 750 K CA 1.319 57.497 56.287 -0.182 0.000 0.842 750 K CB -1.593 30.617 32.500 -0.484 0.000 1.217 750 K HN 1.816 nan 8.250 nan 0.000 0.467 751 N N -0.069 118.570 118.700 -0.102 0.000 2.735 751 N HA -0.197 4.543 4.740 -0.000 0.000 0.248 751 N C -0.174 175.286 175.510 -0.084 0.000 1.083 751 N CA 1.039 54.043 53.050 -0.076 0.000 0.703 751 N CB -0.590 37.891 38.487 -0.010 0.000 1.005 751 N HN 0.640 nan 8.380 nan 0.000 0.550 752 S N -1.412 114.197 115.700 -0.152 0.000 2.634 752 S HA 0.270 4.740 4.470 -0.000 0.000 0.261 752 S C 1.175 175.776 174.600 0.001 0.000 1.271 752 S CA -0.402 57.679 58.200 -0.198 0.000 0.985 752 S CB 0.459 63.509 63.200 -0.250 0.000 0.968 752 S HN 0.184 nan 8.310 nan 0.000 0.568 753 Y N -0.167 120.169 120.300 0.061 0.000 2.439 753 Y HA 0.079 4.628 4.550 -0.000 0.000 0.292 753 Y C 2.228 178.194 175.900 0.110 0.000 1.130 753 Y CA 0.205 58.426 58.100 0.203 0.000 1.254 753 Y CB -1.184 37.333 38.460 0.095 0.000 1.000 753 Y HN 0.462 nan 8.280 nan 0.000 0.554 754 M N -0.031 119.623 119.600 0.089 0.000 2.358 754 M HA -0.158 4.322 4.480 -0.000 0.000 0.264 754 M C 1.448 177.671 176.300 -0.128 0.000 1.064 754 M CA 1.057 56.307 55.300 -0.083 0.000 1.093 754 M CB -0.580 31.909 32.600 -0.184 0.000 1.401 754 M HN 0.136 nan 8.290 nan 0.000 0.440 755 N N -0.995 117.635 118.700 -0.116 0.000 2.550 755 N HA -0.087 4.653 4.740 -0.000 0.000 0.186 755 N C 0.688 176.012 175.510 -0.311 0.000 1.110 755 N CA 0.994 53.948 53.050 -0.159 0.000 0.912 755 N CB -0.027 38.254 38.487 -0.343 0.000 0.968 755 N HN 0.507 nan 8.380 nan 0.000 0.448 756 Y N 0.386 120.686 120.300 0.001 0.000 2.457 756 Y HA 0.313 4.863 4.550 -0.000 0.000 0.263 756 Y C 0.909 176.758 175.900 -0.085 0.000 1.164 756 Y CA -0.414 57.667 58.100 -0.031 0.000 1.274 756 Y CB 0.367 38.806 38.460 -0.035 0.000 1.097 756 Y HN -0.115 nan 8.280 nan 0.000 0.523 757 I N 1.566 122.107 120.570 -0.048 0.000 2.598 757 I HA -0.103 4.067 4.170 -0.000 0.000 0.284 757 I C 1.205 177.235 176.117 -0.146 0.000 1.140 757 I CA 0.321 61.483 61.300 -0.230 0.000 1.420 757 I CB 1.094 38.721 38.000 -0.621 0.000 1.387 757 I HN 0.250 nan 8.210 nan 0.000 0.553 758 K N 3.266 123.591 120.400 -0.126 0.000 2.074 758 K HA -0.223 4.097 4.320 -0.000 0.000 0.209 758 K C 0.983 177.572 176.600 -0.017 0.000 1.048 758 K CA 1.559 57.816 56.287 -0.051 0.000 0.926 758 K CB -0.060 32.417 32.500 -0.039 0.000 0.713 758 K HN 0.571 nan 8.250 nan 0.000 0.444 759 D N -0.749 119.653 120.400 0.003 0.000 2.395 759 D HA -0.019 4.621 4.640 -0.000 0.000 0.226 759 D C 0.879 177.350 176.300 0.285 0.000 1.146 759 D CA 0.235 54.338 54.000 0.172 0.000 0.830 759 D CB 0.239 41.246 40.800 0.345 0.000 0.958 759 D HN 0.225 nan 8.370 nan 0.000 0.501 760 H N -0.505 118.568 119.070 0.005 0.000 2.336 760 H HA 0.435 4.991 4.556 -0.000 0.000 0.307 760 H C 0.043 175.257 175.328 -0.190 0.000 1.056 760 H CA 0.695 56.730 56.048 -0.021 0.000 1.471 760 H CB 0.602 30.352 29.762 -0.021 0.000 1.502 760 H HN -0.188 nan 8.280 nan 0.000 0.630 761 R N -0.024 120.390 120.500 -0.144 0.000 2.795 761 R HA 0.561 4.901 4.340 -0.000 0.000 0.275 761 R C -1.558 174.718 176.300 -0.040 0.000 0.981 761 R CA -1.052 54.956 56.100 -0.154 0.000 0.917 761 R CB 3.118 33.343 30.300 -0.126 0.000 1.202 761 R HN 0.015 nan 8.270 nan 0.000 0.469 762 V N 1.726 121.652 119.914 0.020 0.000 2.409 762 V HA 0.205 4.325 4.120 -0.000 0.000 0.291 762 V C -0.196 175.982 176.094 0.140 0.000 1.020 762 V CA -0.672 61.667 62.300 0.064 0.000 0.848 762 V CB 1.492 33.350 31.823 0.059 0.000 0.990 762 V HN 0.708 nan 8.190 nan 0.000 0.430 763 E N 3.949 124.215 120.200 0.110 0.000 2.289 763 E HA 0.505 4.855 4.350 -0.000 0.000 0.278 763 E C -1.411 175.303 176.600 0.190 0.000 1.032 763 E CA -0.233 56.258 56.400 0.152 0.000 0.854 763 E CB 1.343 31.100 29.700 0.096 0.000 1.046 763 E HN 0.486 nan 8.360 nan 0.000 0.409 764 V N 5.281 125.376 119.914 0.301 0.000 2.567 764 V HA 0.118 4.238 4.120 -0.000 0.000 0.298 764 V C -0.788 175.485 176.094 0.297 0.000 1.047 764 V CA -0.828 61.615 62.300 0.238 0.000 0.880 764 V CB 1.744 33.647 31.823 0.133 0.000 1.009 764 V HN 0.924 nan 8.190 nan 0.000 0.429 765 D N 4.160 124.675 120.400 0.191 0.000 2.697 765 D HA -0.184 4.456 4.640 -0.000 0.000 0.238 765 D C 1.281 177.708 176.300 0.210 0.000 1.152 765 D CA 1.603 55.709 54.000 0.177 0.000 0.666 765 D CB -0.837 40.067 40.800 0.173 0.000 1.037 765 D HN 1.528 nan 8.370 nan 0.000 0.423 766 G N -0.209 108.701 108.800 0.183 0.000 2.155 766 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.257 766 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.257 766 G C -0.132 174.889 174.900 0.201 0.000 0.983 766 G CA 0.681 45.880 45.100 0.163 0.000 0.676 766 G HN 0.601 nan 8.290 nan 0.000 0.528 767 Y N 0.380 120.752 120.300 0.119 0.000 2.373 767 Y HA 0.556 5.106 4.550 -0.000 0.000 0.336 767 Y C -0.052 175.855 175.900 0.013 0.000 0.979 767 Y CA -1.226 56.879 58.100 0.008 0.000 1.080 767 Y CB 1.279 39.694 38.460 -0.075 0.000 1.190 767 Y HN 0.047 nan 8.280 nan 0.000 0.446 768 K N 6.510 126.597 120.400 -0.520 0.000 2.273 768 K HA 0.201 4.521 4.320 -0.000 0.000 0.287 768 K C -1.494 174.965 176.600 -0.236 0.000 1.089 768 K CA -0.268 55.869 56.287 -0.250 0.000 0.909 768 K CB 0.455 32.785 32.500 -0.285 0.000 1.123 768 K HN 0.480 nan 8.250 nan 0.000 0.473 769 Y N 1.323 121.678 120.300 0.092 0.000 2.335 769 Y HA 0.107 4.657 4.550 -0.000 0.000 0.323 769 Y C 0.599 176.575 175.900 0.126 0.000 1.224 769 Y CA -0.819 57.395 58.100 0.189 0.000 1.241 769 Y CB 0.620 39.197 38.460 0.195 0.000 1.235 769 Y HN 0.540 nan 8.280 nan 0.000 0.492 770 W N 4.466 125.826 121.300 0.099 0.000 2.158 770 W HA 0.282 4.941 4.660 -0.000 0.000 0.339 770 W C -0.877 175.660 176.519 0.029 0.000 1.294 770 W CA -0.468 56.873 57.345 -0.007 0.000 1.231 770 W CB 0.493 29.938 29.460 -0.024 0.000 1.143 770 W HN 0.427 nan 8.180 nan 0.000 0.571 771 I N 6.409 126.736 120.570 -0.406 0.000 2.499 771 I HA 0.261 4.430 4.170 -0.000 0.000 0.296 771 I C 0.321 176.341 176.117 -0.163 0.000 0.992 771 I CA -0.554 60.599 61.300 -0.244 0.000 1.297 771 I CB 1.526 39.351 38.000 -0.292 0.000 1.410 771 I HN 0.276 nan 8.210 nan 0.000 0.507 772 M N 5.890 125.454 119.600 -0.059 0.000 2.263 772 M HA 0.460 4.940 4.480 -0.000 0.000 0.295 772 M C -1.320 174.950 176.300 -0.050 0.000 1.028 772 M CA -0.529 54.752 55.300 -0.030 0.000 0.921 772 M CB 1.605 34.216 32.600 0.018 0.000 1.601 772 M HN 0.488 nan 8.290 nan 0.000 0.440 773 R N 3.256 123.716 120.500 -0.068 0.000 2.297 773 R HA 0.669 5.009 4.340 -0.000 0.000 0.308 773 R C -1.234 175.043 176.300 -0.039 0.000 1.029 773 R CA -0.644 55.405 56.100 -0.085 0.000 0.929 773 R CB 1.392 31.572 30.300 -0.201 0.000 1.046 773 R HN 0.501 nan 8.270 nan 0.000 0.461 774 V N 2.880 122.781 119.914 -0.022 0.000 2.709 774 V HA 0.182 4.302 4.120 -0.000 0.000 0.308 774 V C -0.045 176.053 176.094 0.008 0.000 1.062 774 V CA -1.157 61.143 62.300 -0.001 0.000 0.901 774 V CB 1.913 33.739 31.823 0.004 0.000 1.003 774 V HN 0.754 nan 8.190 nan 0.000 0.425 775 N N 2.229 120.941 118.700 0.021 0.000 2.492 775 N HA -0.007 4.733 4.740 -0.000 0.000 0.260 775 N C 1.540 177.063 175.510 0.021 0.000 1.215 775 N CA 0.714 53.782 53.050 0.030 0.000 0.923 775 N CB 1.674 40.185 38.487 0.040 0.000 1.092 775 N HN 0.863 nan 8.380 nan 0.000 0.448 776 S N 4.334 120.047 115.700 0.021 0.000 2.389 776 S HA -0.224 4.246 4.470 -0.000 0.000 0.231 776 S C 2.009 176.617 174.600 0.014 0.000 1.052 776 S CA 1.183 59.392 58.200 0.016 0.000 1.053 776 S CB -0.532 62.678 63.200 0.016 0.000 0.886 776 S HN 0.686 nan 8.310 nan 0.000 0.456 777 I N 2.273 122.852 120.570 0.014 0.000 2.315 777 I HA -0.144 4.026 4.170 -0.000 0.000 0.248 777 I C 2.008 178.131 176.117 0.010 0.000 1.117 777 I CA 1.534 62.840 61.300 0.010 0.000 1.404 777 I CB -0.441 37.563 38.000 0.007 0.000 1.071 777 I HN 0.296 nan 8.210 nan 0.000 0.419 778 D N 0.966 121.373 120.400 0.012 0.000 2.213 778 D HA -0.022 4.618 4.640 -0.000 0.000 0.205 778 D C 2.244 178.554 176.300 0.017 0.000 0.961 778 D CA 1.171 55.178 54.000 0.012 0.000 0.853 778 D CB 0.079 40.885 40.800 0.011 0.000 0.967 778 D HN 0.310 nan 8.370 nan 0.000 0.496 779 A N 1.471 124.301 122.820 0.017 0.000 1.873 779 A HA -0.178 4.142 4.320 -0.000 0.000 0.215 779 A C 2.139 179.735 177.584 0.020 0.000 1.186 779 A CA 1.224 53.273 52.037 0.019 0.000 0.616 779 A CB -0.396 18.613 19.000 0.016 0.000 0.823 779 A HN 0.033 nan 8.150 nan 0.000 0.442 780 E N 0.583 120.793 120.200 0.016 0.000 2.049 780 E HA -0.214 4.135 4.350 -0.000 0.000 0.198 780 E C 2.101 178.711 176.600 0.016 0.000 1.007 780 E CA 1.569 57.977 56.400 0.014 0.000 0.809 780 E CB -0.410 29.297 29.700 0.011 0.000 0.749 780 E HN 0.451 nan 8.360 nan 0.000 0.450 781 A N 0.682 123.511 122.820 0.015 0.000 2.178 781 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 781 A C 1.857 179.455 177.584 0.023 0.000 1.157 781 A CA 1.050 53.096 52.037 0.016 0.000 0.689 781 A CB -0.255 18.752 19.000 0.012 0.000 0.787 781 A HN 0.184 nan 8.150 nan 0.000 0.465 782 R N -1.753 118.764 120.500 0.028 0.000 2.565 782 R HA 0.279 4.619 4.340 -0.000 0.000 0.347 782 R C 0.886 177.209 176.300 0.038 0.000 1.010 782 R CA 0.337 56.460 56.100 0.038 0.000 1.126 782 R CB 0.286 30.614 30.300 0.048 0.000 1.331 782 R HN 0.511 nan 8.270 nan 0.000 0.552 783 G N 2.180 110.997 108.800 0.028 0.000 2.323 783 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.292 783 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.292 783 G C 0.052 174.969 174.900 0.028 0.000 1.040 783 G CA 0.196 45.311 45.100 0.025 0.000 0.942 783 G HN 0.279 nan 8.290 nan 0.000 0.506 784 I N -0.349 120.238 120.570 0.028 0.000 2.359 784 I HA 0.431 4.601 4.170 -0.000 0.000 0.294 784 I C 0.521 176.650 176.117 0.020 0.000 0.987 784 I CA -0.476 60.841 61.300 0.029 0.000 1.225 784 I CB 1.511 39.531 38.000 0.033 0.000 1.366 784 I HN 0.025 nan 8.210 nan 0.000 0.466 785 K N 4.081 124.492 120.400 0.018 0.000 2.340 785 K HA 0.340 4.660 4.320 -0.000 0.000 0.244 785 K C -0.520 176.086 176.600 0.010 0.000 0.973 785 K CA -0.943 55.351 56.287 0.012 0.000 0.828 785 K CB 1.672 34.179 32.500 0.011 0.000 1.226 785 K HN 0.466 nan 8.250 nan 0.000 0.437 786 N N 0.448 119.152 118.700 0.007 0.000 2.365 786 N HA -0.078 4.662 4.740 -0.000 0.000 0.265 786 N C 0.668 176.181 175.510 0.005 0.000 1.288 786 N CA 1.233 54.285 53.050 0.004 0.000 0.869 786 N CB 0.193 38.682 38.487 0.002 0.000 1.071 786 N HN 0.838 nan 8.380 nan 0.000 0.480 787 G N 2.363 111.165 108.800 0.004 0.000 2.234 787 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.235 787 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.235 787 G C -0.212 174.685 174.900 -0.005 0.000 0.997 787 G CA -0.285 44.817 45.100 0.004 0.000 0.623 787 G HN 0.594 nan 8.290 nan 0.000 0.514 788 D N 0.725 121.125 120.400 0.001 0.000 2.400 788 D HA 0.352 4.991 4.640 -0.000 0.000 0.238 788 D C 1.045 177.341 176.300 -0.007 0.000 1.157 788 D CA 0.124 54.127 54.000 0.005 0.000 0.889 788 D CB 0.639 41.453 40.800 0.023 0.000 1.199 788 D HN 0.296 nan 8.370 nan 0.000 0.436 789 L N 2.918 124.140 121.223 -0.001 0.000 2.283 789 L HA 0.306 4.646 4.340 -0.000 0.000 0.287 789 L C 0.592 177.533 176.870 0.118 0.000 1.073 789 L CA -0.442 54.393 54.840 -0.008 0.000 0.822 789 L CB -0.046 42.032 42.059 0.032 0.000 1.186 789 L HN 0.219 nan 8.230 nan 0.000 0.436 790 I N 1.107 121.718 120.570 0.068 0.000 2.947 790 I HA 0.608 4.777 4.170 -0.000 0.000 0.314 790 I C -0.304 175.853 176.117 0.067 0.000 1.028 790 I CA -1.028 60.336 61.300 0.106 0.000 1.077 790 I CB 1.924 39.968 38.000 0.073 0.000 1.274 790 I HN 0.589 nan 8.210 nan 0.000 0.485 791 R N 2.966 123.530 120.500 0.108 0.000 2.337 791 R HA 0.708 5.048 4.340 -0.000 0.000 0.319 791 R C -1.256 175.133 176.300 0.149 0.000 0.954 791 R CA -0.490 55.639 56.100 0.049 0.000 0.840 791 R CB 1.558 31.888 30.300 0.050 0.000 1.164 791 R HN 0.949 nan 8.270 nan 0.000 0.472 792 A N 4.651 127.514 122.820 0.071 0.000 2.290 792 A HA 0.563 4.883 4.320 -0.000 0.000 0.310 792 A C -1.311 176.322 177.584 0.082 0.000 1.202 792 A CA -0.478 51.585 52.037 0.043 0.000 0.837 792 A CB 0.364 19.352 19.000 -0.020 0.000 1.139 792 A HN 0.816 nan 8.150 nan 0.000 0.509 793 Y N 0.553 120.782 120.300 -0.118 0.000 2.689 793 Y HA 0.730 5.280 4.550 -0.000 0.000 0.333 793 Y C -0.711 175.014 175.900 -0.291 0.000 1.208 793 Y CA -0.998 57.001 58.100 -0.169 0.000 1.055 793 Y CB 1.042 39.432 38.460 -0.117 0.000 1.304 793 Y HN 0.843 nan 8.280 nan 0.000 0.455 794 N N -1.897 116.636 118.700 -0.278 0.000 3.441 794 N HA 0.192 4.932 4.740 -0.000 0.000 0.313 794 N C -0.813 174.568 175.510 -0.216 0.000 1.526 794 N CA -0.372 52.151 53.050 -0.878 0.000 0.871 794 N CB 0.055 37.910 38.487 -1.053 0.000 1.779 794 N HN 0.507 nan 8.380 nan 0.000 0.529 795 D N -0.525 119.778 120.400 -0.163 0.000 2.263 795 D HA -0.050 4.590 4.640 -0.000 0.000 0.208 795 D C 1.090 177.471 176.300 0.134 0.000 0.971 795 D CA 1.036 55.117 54.000 0.135 0.000 0.867 795 D CB -0.046 40.843 40.800 0.148 0.000 0.929 795 D HN 0.424 nan 8.370 nan 0.000 0.492 796 R N -0.354 120.124 120.500 -0.037 0.000 2.210 796 R HA 0.336 4.676 4.340 -0.000 0.000 0.203 796 R C 1.281 177.350 176.300 -0.384 0.000 1.010 796 R CA 0.624 56.661 56.100 -0.104 0.000 1.008 796 R CB 0.630 30.856 30.300 -0.122 0.000 0.923 796 R HN 0.103 nan 8.270 nan 0.000 0.469 797 G N -1.256 107.173 108.800 -0.618 0.000 2.323 797 G HA2 0.241 4.200 3.960 -0.000 0.000 0.291 797 G HA3 0.241 4.200 3.960 -0.000 0.000 0.291 797 G C -1.441 173.095 174.900 -0.605 0.000 1.278 797 G CA -0.729 43.597 45.100 -1.290 0.000 0.860 797 G HN -0.031 nan 8.290 nan 0.000 0.504 798 S N -1.369 114.072 115.700 -0.432 0.000 2.547 798 S HA 0.753 5.222 4.470 -0.000 0.000 0.281 798 S C -0.836 173.683 174.600 -0.135 0.000 1.118 798 S CA -0.514 57.600 58.200 -0.144 0.000 0.947 798 S CB 1.967 65.110 63.200 -0.094 0.000 1.053 798 S HN 1.044 nan 8.310 nan 0.000 0.482 799 V N 3.484 123.329 119.914 -0.115 0.000 2.638 799 V HA 0.503 4.622 4.120 -0.000 0.000 0.306 799 V C -0.997 175.014 176.094 -0.139 0.000 1.052 799 V CA -0.703 61.529 62.300 -0.113 0.000 0.885 799 V CB 1.658 33.432 31.823 -0.083 0.000 0.999 799 V HN 0.738 nan 8.190 nan 0.000 0.424 800 I N 5.871 126.317 120.570 -0.206 0.000 2.371 800 I HA 0.526 4.696 4.170 -0.000 0.000 0.290 800 I C -0.080 176.031 176.117 -0.009 0.000 1.028 800 I CA 0.290 61.415 61.300 -0.290 0.000 1.345 800 I CB 0.870 38.483 38.000 -0.645 0.000 1.407 800 I HN 0.437 nan 8.210 nan 0.000 0.501 801 L N 4.952 126.183 121.223 0.013 0.000 2.341 801 L HA 0.832 5.172 4.340 -0.000 0.000 0.254 801 L C -0.366 176.534 176.870 0.048 0.000 1.040 801 L CA -1.046 53.870 54.840 0.126 0.000 0.837 801 L CB 1.781 43.916 42.059 0.128 0.000 1.425 801 L HN 0.532 nan 8.230 nan 0.000 0.414 802 A N 1.020 123.891 122.820 0.085 0.000 2.252 802 A HA 0.793 5.113 4.320 -0.000 0.000 0.309 802 A C 0.016 177.606 177.584 0.011 0.000 1.285 802 A CA -0.350 51.699 52.037 0.020 0.000 0.900 802 A CB 0.614 19.651 19.000 0.061 0.000 1.157 802 A HN 0.710 nan 8.150 nan 0.000 0.536 803 A N 2.405 125.227 122.820 0.003 0.000 2.407 803 A HA 0.528 4.848 4.320 -0.000 0.000 0.248 803 A C 0.242 177.821 177.584 -0.009 0.000 1.082 803 A CA -0.121 51.916 52.037 0.000 0.000 0.785 803 A CB 0.283 19.289 19.000 0.010 0.000 1.020 803 A HN 0.858 nan 8.150 nan 0.000 0.489 804 Q N 2.210 121.997 119.800 -0.020 0.000 2.337 804 Q HA 0.483 4.823 4.340 -0.000 0.000 0.264 804 Q C -1.609 174.378 176.000 -0.022 0.000 1.007 804 Q CA -0.479 55.310 55.803 -0.025 0.000 0.727 804 Q CB 1.414 30.126 28.738 -0.044 0.000 1.256 804 Q HN 0.570 nan 8.270 nan 0.000 0.467 805 V N 3.304 123.212 119.914 -0.010 0.000 2.555 805 V HA 0.425 4.545 4.120 -0.000 0.000 0.286 805 V C 0.383 176.473 176.094 -0.007 0.000 1.044 805 V CA 0.258 62.555 62.300 -0.005 0.000 1.026 805 V CB 1.204 33.028 31.823 0.002 0.000 0.981 805 V HN 0.854 nan 8.190 nan 0.000 0.480 806 T N 2.483 117.036 114.554 -0.003 0.000 2.731 806 T HA 0.372 4.722 4.350 -0.000 0.000 0.300 806 T C -0.151 174.561 174.700 0.020 0.000 1.283 806 T CA -0.479 61.619 62.100 -0.003 0.000 1.005 806 T CB 2.114 70.969 68.868 -0.022 0.000 1.420 806 T HN 0.611 nan 8.240 nan 0.000 0.503 807 E N 0.307 120.521 120.200 0.023 0.000 2.526 807 E HA 0.206 4.556 4.350 -0.000 0.000 0.208 807 E C 1.049 177.726 176.600 0.129 0.000 0.997 807 E CA 0.123 56.566 56.400 0.072 0.000 0.961 807 E CB 0.019 29.756 29.700 0.061 0.000 1.030 807 E HN 0.567 nan 8.360 nan 0.000 0.483 808 C N 1.376 120.694 119.300 0.030 0.000 2.507 808 C HA 0.276 4.736 4.460 -0.000 0.000 0.301 808 C C 0.764 175.891 174.990 0.230 0.000 1.351 808 C CA 0.075 59.038 59.018 -0.091 0.000 1.650 808 C CB -1.679 25.915 27.740 -0.242 0.000 1.676 808 C HN 0.153 nan 8.230 nan 0.000 0.594 809 L N -0.071 121.365 121.223 0.354 0.000 2.472 809 L HA 0.330 4.669 4.340 -0.000 0.000 0.260 809 L C -0.289 176.715 176.870 0.223 0.000 0.963 809 L CA -0.366 54.671 54.840 0.328 0.000 0.829 809 L CB 1.541 43.700 42.059 0.166 0.000 1.348 809 L HN 0.080 nan 8.230 nan 0.000 0.408 810 Q N 3.140 123.018 119.800 0.130 0.000 2.352 810 Q HA 0.252 4.592 4.340 -0.000 0.000 0.260 810 Q C -2.294 173.720 176.000 0.024 0.000 0.976 810 Q CA -1.394 54.420 55.803 0.019 0.000 0.881 810 Q CB 1.153 29.857 28.738 -0.058 0.000 1.235 810 Q HN 0.216 nan 8.270 nan 0.000 0.419 811 P HA -0.039 nan 4.420 nan 0.000 0.260 811 P C 0.033 177.330 177.300 -0.006 0.000 1.172 811 P CA 1.513 64.615 63.100 0.004 0.000 0.760 811 P CB 0.351 32.047 31.700 -0.007 0.000 0.773 812 G N 1.723 110.524 108.800 0.001 0.000 2.201 812 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.212 812 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.212 812 G C 0.113 175.013 174.900 -0.000 0.000 0.994 812 G CA -0.231 44.865 45.100 -0.006 0.000 0.644 812 G HN 0.567 nan 8.290 nan 0.000 0.508 813 T N 1.487 116.050 114.554 0.015 0.000 2.779 813 T HA 0.643 4.993 4.350 -0.000 0.000 0.280 813 T C 0.304 175.027 174.700 0.037 0.000 0.987 813 T CA 0.161 62.278 62.100 0.028 0.000 0.966 813 T CB 2.260 71.159 68.868 0.052 0.000 0.933 813 T HN 1.278 nan 8.240 nan 0.000 0.442 814 V N 0.842 120.772 119.914 0.026 0.000 2.975 814 V HA 0.755 4.875 4.120 -0.000 0.000 0.318 814 V C -0.627 175.497 176.094 0.050 0.000 1.077 814 V CA -0.852 61.462 62.300 0.023 0.000 1.000 814 V CB 2.003 33.825 31.823 -0.002 0.000 1.066 814 V HN 0.950 nan 8.190 nan 0.000 0.452 815 H N 1.261 120.253 119.070 -0.129 0.000 2.947 815 H HA 0.673 5.229 4.556 -0.000 0.000 0.354 815 H C -1.729 173.452 175.328 -0.246 0.000 1.085 815 H CA 0.139 56.064 56.048 -0.205 0.000 1.253 815 H CB 2.063 31.614 29.762 -0.351 0.000 1.757 815 H HN 0.997 nan 8.280 nan 0.000 0.523 816 S N 4.991 120.427 115.700 -0.439 0.000 2.572 816 S HA 0.388 4.858 4.470 -0.000 0.000 0.274 816 S C -1.316 173.172 174.600 -0.185 0.000 1.150 816 S CA -0.524 57.548 58.200 -0.213 0.000 0.944 816 S CB 0.658 63.900 63.200 0.071 0.000 1.071 816 S HN 0.513 nan 8.310 nan 0.000 0.479 817 Y N 2.559 122.932 120.300 0.121 0.000 2.457 817 Y HA 0.216 4.766 4.550 -0.000 0.000 0.341 817 Y C 1.303 177.438 175.900 0.391 0.000 1.240 817 Y CA -0.165 58.079 58.100 0.240 0.000 1.437 817 Y CB 0.637 39.290 38.460 0.322 0.000 1.328 817 Y HN 0.795 nan 8.280 nan 0.000 0.588 818 E N -1.104 119.310 120.200 0.357 0.000 2.700 818 E HA 0.459 4.808 4.350 -0.000 0.000 0.253 818 E C -0.112 176.505 176.600 0.030 0.000 1.175 818 E CA -0.326 56.126 56.400 0.086 0.000 1.010 818 E CB 0.758 30.472 29.700 0.024 0.000 1.284 818 E HN 0.504 nan 8.360 nan 0.000 0.557 819 S N -2.340 113.294 115.700 -0.109 0.000 3.361 819 S HA -0.241 4.229 4.470 -0.000 0.000 0.288 819 S C 0.265 174.726 174.600 -0.232 0.000 1.269 819 S CA 0.517 58.655 58.200 -0.104 0.000 0.976 819 S CB -2.652 60.586 63.200 0.064 0.000 1.162 819 S HN 0.814 nan 8.310 nan 0.000 0.643 820 C N 2.154 121.127 119.300 -0.545 0.000 2.538 820 C HA 0.459 4.918 4.460 -0.000 0.000 0.408 820 C C 1.858 176.636 174.990 -0.353 0.000 1.421 820 C CA 0.433 58.988 59.018 -0.771 0.000 1.642 820 C CB -0.289 26.784 27.740 -1.111 0.000 2.553 820 C HN 0.805 nan 8.230 nan 0.000 0.604 821 A N 4.758 127.445 122.820 -0.222 0.000 2.218 821 A HA 0.333 4.653 4.320 -0.000 0.000 0.209 821 A C 0.587 178.095 177.584 -0.127 0.000 1.168 821 A CA 0.418 52.362 52.037 -0.156 0.000 0.804 821 A CB -0.031 18.881 19.000 -0.146 0.000 0.834 821 A HN 0.821 nan 8.150 nan 0.000 0.482 822 V N 0.349 120.188 119.914 -0.124 0.000 2.370 822 V HA 0.290 4.410 4.120 -0.000 0.000 0.283 822 V C -0.910 175.176 176.094 -0.014 0.000 1.023 822 V CA -0.561 61.697 62.300 -0.071 0.000 0.857 822 V CB 0.954 32.739 31.823 -0.062 0.000 0.985 822 V HN 0.372 nan 8.190 nan 0.000 0.443 823 Y N 4.377 124.605 120.300 -0.120 0.000 2.402 823 Y HA 0.619 5.169 4.550 -0.000 0.000 0.332 823 Y C -0.474 175.385 175.900 -0.069 0.000 0.960 823 Y CA -1.540 56.504 58.100 -0.093 0.000 1.228 823 Y CB 1.272 39.695 38.460 -0.062 0.000 1.120 823 Y HN 0.710 nan 8.280 nan 0.000 0.491 824 D N 9.064 129.171 120.400 -0.487 0.000 2.400 824 D HA 0.357 4.997 4.640 -0.000 0.000 0.272 824 D C -3.112 172.916 176.300 -0.453 0.000 1.220 824 D CA -2.348 51.391 54.000 -0.435 0.000 0.897 824 D CB 1.323 42.023 40.800 -0.166 0.000 1.134 824 D HN 0.213 nan 8.370 nan 0.000 0.507 825 P HA 0.128 nan 4.420 nan 0.000 0.271 825 P C 0.908 178.116 177.300 -0.153 0.000 1.218 825 P CA -0.293 62.619 63.100 -0.313 0.000 0.780 825 P CB 1.128 32.681 31.700 -0.245 0.000 0.901 826 L N 0.340 121.532 121.223 -0.051 0.000 2.446 826 L HA 0.230 4.570 4.340 -0.000 0.000 0.219 826 L C 1.470 178.361 176.870 0.035 0.000 1.116 826 L CA 0.723 55.566 54.840 0.005 0.000 0.844 826 L CB -0.381 41.727 42.059 0.080 0.000 0.970 826 L HN 0.537 nan 8.230 nan 0.000 0.457 827 G N -1.024 107.804 108.800 0.047 0.000 3.247 827 G HA2 0.255 4.215 3.960 -0.000 0.000 0.199 827 G HA3 0.255 4.215 3.960 -0.000 0.000 0.199 827 G C -0.723 174.213 174.900 0.060 0.000 1.172 827 G CA -0.224 44.911 45.100 0.059 0.000 0.844 827 G HN -0.161 nan 8.290 nan 0.000 0.619 828 T N 1.640 116.243 114.554 0.083 0.000 2.902 828 T HA 0.441 4.791 4.350 -0.000 0.000 0.301 828 T C 0.794 175.585 174.700 0.151 0.000 1.012 828 T CA 0.470 62.630 62.100 0.100 0.000 1.151 828 T CB 0.723 69.652 68.868 0.103 0.000 0.946 828 T HN 0.871 nan 8.240 nan 0.000 0.542 829 A N 2.851 125.776 122.820 0.176 0.000 2.567 829 A HA 0.467 4.787 4.320 -0.000 0.000 0.240 829 A C 1.670 179.463 177.584 0.349 0.000 1.053 829 A CA 0.202 52.433 52.037 0.323 0.000 0.755 829 A CB -0.830 18.413 19.000 0.405 0.000 0.978 829 A HN 1.671 nan 8.150 nan 0.000 0.507 830 G N 1.830 110.860 108.800 0.383 0.000 2.168 830 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.263 830 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.263 830 G C 0.574 175.603 174.900 0.215 0.000 0.977 830 G CA 0.989 46.231 45.100 0.237 0.000 0.659 830 G HN 0.865 nan 8.290 nan 0.000 0.533 831 K N -0.522 120.026 120.400 0.246 0.000 2.517 831 K HA 0.311 4.631 4.320 -0.000 0.000 0.210 831 K C 0.639 177.441 176.600 0.336 0.000 1.166 831 K CA 0.665 57.110 56.287 0.263 0.000 1.030 831 K CB 1.034 33.641 32.500 0.178 0.000 0.974 831 K HN 0.576 nan 8.250 nan 0.000 0.585 832 S N -0.508 115.387 115.700 0.325 0.000 2.720 832 S HA 0.722 5.191 4.470 -0.000 0.000 0.287 832 S C -0.561 174.203 174.600 0.272 0.000 1.168 832 S CA -1.065 57.335 58.200 0.333 0.000 0.832 832 S CB 1.454 64.777 63.200 0.205 0.000 1.166 832 S HN 0.070 nan 8.310 nan 0.000 0.493 833 A N 0.294 123.268 122.820 0.257 0.000 2.445 833 A HA 0.528 4.848 4.320 -0.000 0.000 0.242 833 A C -0.190 177.406 177.584 0.020 0.000 1.075 833 A CA 0.088 52.196 52.037 0.117 0.000 0.777 833 A CB -0.518 18.559 19.000 0.129 0.000 1.013 833 A HN 0.874 nan 8.150 nan 0.000 0.493 834 D N -0.375 120.005 120.400 -0.035 0.000 2.256 834 D HA 0.454 5.094 4.640 -0.000 0.000 0.246 834 D C 0.833 177.060 176.300 -0.122 0.000 1.042 834 D CA -0.667 53.292 54.000 -0.068 0.000 0.841 834 D CB 0.989 41.822 40.800 0.054 0.000 1.223 834 D HN 0.503 nan 8.370 nan 0.000 0.470 835 R N 2.236 122.641 120.500 -0.158 0.000 2.397 835 R HA 0.296 4.636 4.340 -0.000 0.000 0.241 835 R C 1.342 177.617 176.300 -0.042 0.000 0.914 835 R CA -0.163 55.850 56.100 -0.145 0.000 1.071 835 R CB 0.340 30.469 30.300 -0.285 0.000 1.116 835 R HN 0.401 nan 8.270 nan 0.000 0.524 836 G N 1.137 109.911 108.800 -0.044 0.000 2.421 836 G HA2 0.093 4.052 3.960 -0.000 0.000 0.217 836 G HA3 0.093 4.052 3.960 -0.000 0.000 0.217 836 G C 1.023 175.900 174.900 -0.039 0.000 1.143 836 G CA 0.618 45.714 45.100 -0.006 0.000 0.784 836 G HN 0.592 nan 8.290 nan 0.000 0.541 837 G N -1.929 106.820 108.800 -0.084 0.000 2.181 837 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.152 837 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.152 837 G C 0.105 174.710 174.900 -0.493 0.000 1.026 837 G CA -0.207 44.774 45.100 -0.197 0.000 0.699 837 G HN 0.521 nan 8.290 nan 0.000 0.497 838 C N 2.040 121.170 119.300 -0.282 0.000 2.365 838 C HA 0.272 4.732 4.460 -0.000 0.000 0.412 838 C C 2.278 177.122 174.990 -0.244 0.000 1.023 838 C CA -0.601 58.243 59.018 -0.291 0.000 1.287 838 C CB -1.654 25.997 27.740 -0.149 0.000 1.675 838 C HN 0.498 nan 8.230 nan 0.000 0.520 839 I N 2.713 123.112 120.570 -0.285 0.000 2.248 839 I HA -0.157 4.013 4.170 -0.000 0.000 0.248 839 I C 2.146 178.173 176.117 -0.151 0.000 1.107 839 I CA 1.533 62.732 61.300 -0.168 0.000 1.373 839 I CB -0.665 37.274 38.000 -0.101 0.000 1.055 839 I HN 0.623 nan 8.210 nan 0.000 0.418 840 N N 0.843 119.440 118.700 -0.172 0.000 2.635 840 N HA -0.084 4.656 4.740 -0.000 0.000 0.191 840 N C 1.791 177.208 175.510 -0.155 0.000 1.155 840 N CA 0.560 53.517 53.050 -0.155 0.000 0.927 840 N CB -0.033 38.347 38.487 -0.178 0.000 0.976 840 N HN 0.445 nan 8.380 nan 0.000 0.448 841 I N 0.267 120.740 120.570 -0.163 0.000 2.493 841 I HA -0.192 3.978 4.170 -0.000 0.000 0.254 841 I C 1.578 177.596 176.117 -0.165 0.000 1.160 841 I CA 0.860 62.062 61.300 -0.164 0.000 1.445 841 I CB 0.123 38.025 38.000 -0.163 0.000 1.086 841 I HN 0.091 nan 8.210 nan 0.000 0.433 842 L N -0.227 120.904 121.223 -0.155 0.000 2.477 842 L HA 0.044 4.384 4.340 -0.000 0.000 0.220 842 L C 1.198 177.995 176.870 -0.121 0.000 1.106 842 L CA -0.004 54.743 54.840 -0.156 0.000 0.851 842 L CB -0.566 41.400 42.059 -0.156 0.000 0.994 842 L HN 0.257 nan 8.230 nan 0.000 0.462 843 T N -1.206 113.290 114.554 -0.097 0.000 2.918 843 T HA 0.236 4.586 4.350 -0.000 0.000 0.302 843 T C -2.412 172.273 174.700 -0.026 0.000 1.045 843 T CA -1.709 60.355 62.100 -0.060 0.000 1.114 843 T CB 0.721 69.555 68.868 -0.057 0.000 0.965 843 T HN -0.109 nan 8.240 nan 0.000 0.540 844 P HA 0.199 nan 4.420 nan 0.000 0.276 844 P C -0.096 177.253 177.300 0.082 0.000 1.235 844 P CA -0.256 62.902 63.100 0.098 0.000 0.772 844 P CB 0.776 32.642 31.700 0.276 0.000 0.871 845 D N 2.336 122.742 120.400 0.010 0.000 2.339 845 D HA -0.023 4.617 4.640 -0.000 0.000 0.217 845 D C 0.775 177.005 176.300 -0.117 0.000 1.050 845 D CA 0.033 53.999 54.000 -0.056 0.000 0.856 845 D CB -0.219 40.516 40.800 -0.109 0.000 0.922 845 D HN 0.327 nan 8.370 nan 0.000 0.518 846 R N 0.488 120.946 120.500 -0.069 0.000 2.537 846 R HA 0.056 4.396 4.340 -0.000 0.000 0.280 846 R C -0.397 175.901 176.300 -0.004 0.000 1.058 846 R CA -0.384 55.595 56.100 -0.201 0.000 1.057 846 R CB 0.195 30.201 30.300 -0.491 0.000 0.973 846 R HN 0.020 nan 8.270 nan 0.000 0.438 847 Y N 3.646 123.903 120.300 -0.071 0.000 2.550 847 Y HA -0.119 4.430 4.550 -0.000 0.000 0.343 847 Y C 1.952 177.917 175.900 0.109 0.000 1.245 847 Y CA -0.522 57.567 58.100 -0.019 0.000 1.462 847 Y CB 0.565 38.969 38.460 -0.093 0.000 1.340 847 Y HN 0.576 nan 8.280 nan 0.000 0.604 848 I N 0.789 121.559 120.570 0.332 0.000 2.315 848 I HA -0.281 3.888 4.170 -0.000 0.000 0.251 848 I C 0.943 177.301 176.117 0.402 0.000 1.125 848 I CA 1.580 63.118 61.300 0.396 0.000 1.392 848 I CB -0.461 37.636 38.000 0.161 0.000 1.065 848 I HN 0.561 nan 8.210 nan 0.000 0.424 849 S N -1.442 114.347 115.700 0.148 0.000 2.688 849 S HA 0.258 4.728 4.470 -0.000 0.000 0.275 849 S C 0.394 174.976 174.600 -0.031 0.000 1.175 849 S CA -0.901 57.355 58.200 0.094 0.000 0.818 849 S CB 1.935 65.247 63.200 0.187 0.000 1.157 849 S HN 0.031 nan 8.310 nan 0.000 0.482 850 K N -0.660 119.687 120.400 -0.087 0.000 2.152 850 K HA -0.083 4.237 4.320 -0.000 0.000 0.206 850 K C 0.577 176.908 176.600 -0.448 0.000 1.048 850 K CA 1.852 57.952 56.287 -0.312 0.000 0.933 850 K CB -0.282 31.929 32.500 -0.482 0.000 0.721 850 K HN 0.698 nan 8.250 nan 0.000 0.447 851 Y N -1.487 118.871 120.300 0.095 0.000 2.426 851 Y HA 0.358 4.907 4.550 -0.000 0.000 0.249 851 Y C 0.380 176.175 175.900 -0.174 0.000 1.103 851 Y CA -0.322 57.824 58.100 0.076 0.000 1.256 851 Y CB 0.687 39.342 38.460 0.325 0.000 1.208 851 Y HN -0.047 nan 8.280 nan 0.000 0.519 852 A N 0.056 122.775 122.820 -0.168 0.000 3.004 852 A HA 0.263 4.583 4.320 -0.000 0.000 0.286 852 A C 0.121 176.916 177.584 -1.316 0.000 1.632 852 A CA -0.346 51.306 52.037 -0.641 0.000 1.339 852 A CB -1.470 17.426 19.000 -0.173 0.000 1.136 852 A HN 0.481 nan 8.150 nan 0.000 0.577 853 C N 2.412 120.613 119.300 -1.833 0.000 3.837 853 C HA 0.366 4.826 4.460 -0.000 0.000 0.585 853 C C 1.511 175.855 174.990 -1.077 0.000 1.112 853 C CA 0.022 57.897 59.018 -1.906 0.000 1.153 853 C CB -2.198 24.685 27.740 -1.427 0.000 1.405 853 C HN 0.811 nan 8.230 nan 0.000 0.646 854 G N 0.845 109.217 108.800 -0.713 0.000 2.644 854 G HA2 0.705 4.665 3.960 -0.000 0.000 0.307 854 G HA3 0.705 4.665 3.960 -0.000 0.000 0.307 854 G C -0.449 174.569 174.900 0.197 0.000 1.250 854 G CA -0.865 44.235 45.100 0.001 0.000 0.996 854 G HN 0.531 nan 8.290 nan 0.000 0.489 855 M N -0.059 119.672 119.600 0.217 0.000 2.249 855 M HA 0.684 5.164 4.480 -0.000 0.000 0.351 855 M C 0.082 176.470 176.300 0.146 0.000 1.180 855 M CA -0.634 54.770 55.300 0.173 0.000 1.127 855 M CB 2.027 34.693 32.600 0.110 0.000 1.546 855 M HN 0.428 nan 8.290 nan 0.000 0.461 856 A N 2.858 125.763 122.820 0.142 0.000 2.793 856 A HA 0.289 4.609 4.320 -0.000 0.000 0.301 856 A C 0.449 178.031 177.584 -0.004 0.000 1.172 856 A CA -0.662 51.409 52.037 0.056 0.000 0.973 856 A CB -0.766 18.254 19.000 0.034 0.000 1.164 856 A HN 1.013 nan 8.150 nan 0.000 0.542 857 N N 1.487 120.199 118.700 0.018 0.000 2.037 857 N HA -0.189 4.551 4.740 -0.000 0.000 0.196 857 N C 0.975 176.469 175.510 -0.026 0.000 1.034 857 N CA 1.711 54.757 53.050 -0.006 0.000 0.861 857 N CB -0.277 38.207 38.487 -0.004 0.000 1.039 857 N HN 0.465 nan 8.380 nan 0.000 0.427 858 N N 0.174 118.865 118.700 -0.016 0.000 2.627 858 N HA -0.044 4.696 4.740 -0.000 0.000 0.196 858 N C -0.351 175.135 175.510 -0.040 0.000 1.268 858 N CA 0.684 53.724 53.050 -0.016 0.000 0.904 858 N CB -0.306 38.186 38.487 0.009 0.000 1.016 858 N HN 0.418 nan 8.380 nan 0.000 0.448 859 T N -2.174 112.329 114.554 -0.084 0.000 3.068 859 T HA 0.709 5.058 4.350 -0.000 0.000 0.364 859 T C -0.542 174.094 174.700 -0.107 0.000 1.161 859 T CA -0.922 61.103 62.100 -0.124 0.000 1.155 859 T CB 1.301 70.037 68.868 -0.220 0.000 1.060 859 T HN 0.072 nan 8.240 nan 0.000 0.513 860 A N 4.088 126.865 122.820 -0.072 0.000 2.356 860 A HA 0.801 5.121 4.320 -0.000 0.000 0.310 860 A C -0.544 177.009 177.584 -0.052 0.000 1.075 860 A CA -0.935 51.067 52.037 -0.059 0.000 0.746 860 A CB 1.194 20.152 19.000 -0.070 0.000 1.221 860 A HN 0.869 nan 8.150 nan 0.000 0.443 861 L N 3.321 124.523 121.223 -0.035 0.000 2.264 861 L HA 0.663 5.002 4.340 -0.000 0.000 0.289 861 L C 0.053 176.878 176.870 -0.075 0.000 1.044 861 L CA -0.568 54.269 54.840 -0.004 0.000 0.807 861 L CB 1.296 43.403 42.059 0.080 0.000 1.192 861 L HN 0.723 nan 8.230 nan 0.000 0.425 862 V N 0.331 120.203 119.914 -0.070 0.000 3.103 862 V HA 0.768 4.888 4.120 -0.000 0.000 0.311 862 V C -1.343 174.688 176.094 -0.106 0.000 1.322 862 V CA -0.688 61.491 62.300 -0.201 0.000 1.063 862 V CB 2.316 33.997 31.823 -0.237 0.000 1.090 862 V HN 0.651 nan 8.190 nan 0.000 0.462 863 E N 0.233 120.240 120.200 -0.320 0.000 2.369 863 E HA 0.813 5.163 4.350 -0.000 0.000 0.270 863 E C -1.183 175.233 176.600 -0.307 0.000 0.909 863 E CA -0.465 55.756 56.400 -0.299 0.000 0.775 863 E CB 1.961 31.436 29.700 -0.376 0.000 1.270 863 E HN 1.141 nan 8.360 nan 0.000 0.445 864 I N -0.614 119.929 120.570 -0.046 0.000 2.722 864 I HA 0.733 4.903 4.170 -0.000 0.000 0.295 864 I C -1.108 175.108 176.117 0.164 0.000 1.161 864 I CA -0.792 60.559 61.300 0.085 0.000 1.032 864 I CB 2.209 40.234 38.000 0.042 0.000 1.244 864 I HN 0.586 nan 8.210 nan 0.000 0.421 865 E N 3.745 124.076 120.200 0.218 0.000 2.433 865 E HA 0.474 4.823 4.350 -0.000 0.000 0.278 865 E C -1.580 175.123 176.600 0.172 0.000 0.976 865 E CA -1.306 55.206 56.400 0.186 0.000 0.793 865 E CB 1.876 31.708 29.700 0.219 0.000 1.311 865 E HN 0.506 nan 8.360 nan 0.000 0.460 866 K N 0.949 121.434 120.400 0.142 0.000 2.448 866 K HA 0.001 4.321 4.320 -0.000 0.000 0.278 866 K C -0.767 175.967 176.600 0.223 0.000 1.009 866 K CA -0.182 56.192 56.287 0.146 0.000 0.995 866 K CB 0.448 33.003 32.500 0.092 0.000 0.917 866 K HN 0.475 nan 8.250 nan 0.000 0.481 867 W N 5.112 126.433 121.300 0.035 0.000 2.446 867 W HA 0.005 4.665 4.660 -0.000 0.000 0.316 867 W C 0.413 176.967 176.519 0.058 0.000 1.376 867 W CA -0.694 56.686 57.345 0.058 0.000 1.300 867 W CB 0.094 29.578 29.460 0.040 0.000 1.351 867 W HN 0.705 nan 8.180 nan 0.000 0.530 868 D N 2.560 122.870 120.400 -0.149 0.000 2.224 868 D HA 0.080 4.719 4.640 -0.000 0.000 0.205 868 D C 1.693 177.573 176.300 -0.700 0.000 0.965 868 D CA 1.377 55.196 54.000 -0.301 0.000 0.852 868 D CB -0.150 40.586 40.800 -0.108 0.000 0.947 868 D HN 0.622 nan 8.370 nan 0.000 0.494 869 G N -0.345 107.606 108.800 -1.414 0.000 2.296 869 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.188 869 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.188 869 G C -0.162 174.469 174.900 -0.450 0.000 1.000 869 G CA -0.040 44.166 45.100 -1.490 0.000 0.672 869 G HN 0.482 nan 8.290 nan 0.000 0.483 870 D N 1.197 121.508 120.400 -0.149 0.000 2.400 870 D HA 0.308 4.948 4.640 -0.000 0.000 0.238 870 D C 1.785 178.246 176.300 0.269 0.000 1.157 870 D CA 0.462 54.402 54.000 -0.099 0.000 0.889 870 D CB 0.775 41.220 40.800 -0.592 0.000 1.199 870 D HN 0.506 nan 8.370 nan 0.000 0.436 871 K N 1.813 122.288 120.400 0.126 0.000 2.400 871 K HA -0.042 4.278 4.320 -0.000 0.000 0.194 871 K C -0.006 176.780 176.600 0.312 0.000 1.033 871 K CA -0.129 56.313 56.287 0.257 0.000 1.021 871 K CB -0.222 32.366 32.500 0.146 0.000 0.808 871 K HN 0.464 nan 8.250 nan 0.000 0.505 872 Y N 1.921 122.305 120.300 0.140 0.000 2.983 872 Y HA -0.224 4.326 4.550 -0.000 0.000 0.185 872 Y C -0.488 175.463 175.900 0.085 0.000 1.476 872 Y CA 0.562 58.721 58.100 0.098 0.000 0.866 872 Y CB -1.800 36.757 38.460 0.162 0.000 1.331 872 Y HN 0.400 nan 8.280 nan 0.000 0.403 873 E N 2.707 122.968 120.200 0.102 0.000 1.932 873 E HA 0.384 4.734 4.350 -0.000 0.000 0.259 873 E C 0.828 177.406 176.600 -0.037 0.000 1.099 873 E CA 0.050 56.499 56.400 0.082 0.000 0.970 873 E CB -0.122 29.617 29.700 0.066 0.000 1.143 873 E HN 0.650 nan 8.360 nan 0.000 0.441 874 I N -0.424 120.016 120.570 -0.217 0.000 4.390 874 I HA 0.246 4.416 4.170 -0.000 0.000 0.334 874 I C -0.637 175.196 176.117 -0.473 0.000 1.379 874 I CA -0.630 60.458 61.300 -0.354 0.000 1.197 874 I CB 0.078 37.834 38.000 -0.408 0.000 1.396 874 I HN 0.104 nan 8.210 nan 0.000 0.511 875 Y N 0.000 120.350 120.300 0.083 0.000 2.660 875 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 875 Y CA 0.000 58.141 58.100 0.068 0.000 1.940 875 Y CB 0.000 38.500 38.460 0.066 0.000 1.050 875 Y HN 0.000 nan 8.280 nan 0.000 0.758