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 1mpr_1_B DATA FIRST_RESID 1 DATA SEQUENCE VDFHGYARSG IGWTGSGGEQ QcFQATGAQS KYRLGNEcET YAELKLGQEV DATA SEQUENCE WKEGDKSFYF DTNVAYSVNQ QNDWESTDPA FREANVQGKN LIEWLPGSTI DATA SEQUENCE WAGKRFYQRH DVHMIDFYYW DISGPGAGIE NIDLGFGKLS LAATRSTEAG DATA SEQUENCE GSYTFSSQNI YDEVKDTAND VFDVRLAGLQ TNPDGVLELG VDYGRANTTD DATA SEQUENCE GYKLADGASK DGWMFTAEHT QSMLKGYNKF VVQYATDAMT TQGKGQARGS DATA SEQUENCE DGSSSFTEXX XXXXKINYAN KVINNNGNMW RILDHGAISL GDKWDLMYVG DATA SEQUENCE MYQNIDWDNN LGTEWWTVGV RPMYKWTPIM STLLEVGYDN VKSQQTGDRN DATA SEQUENCE NQYKITLAQQ WQAGDSIWSR PAIRIFATYA KWDEKWGYIK DGDNISRYAA DATA SEQUENCE ATNSGISTNS RGDSDEWTFG AQMEIWW 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 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.148 176.094 0.090 0.000 1.182 1 V CA 0.000 62.343 62.300 0.071 0.000 1.235 1 V CB 0.000 31.856 31.823 0.055 0.000 1.184 2 D N 5.574 126.041 120.400 0.110 0.000 2.274 2 D HA 0.419 5.059 4.640 -0.000 0.000 0.239 2 D C -0.830 175.511 176.300 0.069 0.000 1.104 2 D CA 0.257 54.304 54.000 0.078 0.000 0.840 2 D CB 1.600 42.531 40.800 0.218 0.000 1.100 2 D HN 0.399 nan 8.370 nan 0.000 0.477 3 F N 4.280 124.094 119.950 -0.227 0.000 2.411 3 F HA 0.339 4.866 4.527 -0.000 0.000 0.352 3 F C -0.594 175.111 175.800 -0.158 0.000 1.123 3 F CA -0.335 57.645 58.000 -0.033 0.000 1.044 3 F CB 0.609 39.681 39.000 0.119 0.000 1.135 3 F HN 0.266 nan 8.300 nan 0.000 0.461 4 H N 2.565 121.503 119.070 -0.220 0.000 2.966 4 H HA 0.809 5.365 4.556 0.000 0.000 0.330 4 H C -0.007 174.486 175.328 -1.393 0.000 1.292 4 H CA -0.552 54.957 56.048 -0.898 0.000 1.127 4 H CB 1.611 31.108 29.762 -0.442 0.000 1.863 4 H HN 0.829 nan 8.280 nan 0.000 0.543 5 G N -0.567 107.168 108.800 -1.774 0.000 2.368 5 G HA2 0.266 4.226 3.960 -0.000 0.000 0.269 5 G HA3 0.266 4.226 3.960 -0.000 0.000 0.269 5 G C -2.354 171.883 174.900 -1.105 0.000 1.291 5 G CA -0.505 43.759 45.100 -1.393 0.000 0.903 5 G HN 0.586 nan 8.290 nan 0.000 0.483 6 Y N -0.045 119.920 120.300 -0.559 0.000 2.581 6 Y HA 0.774 5.324 4.550 0.000 0.000 0.337 6 Y C -0.781 175.312 175.900 0.321 0.000 1.108 6 Y CA 0.049 58.202 58.100 0.089 0.000 1.033 6 Y CB 1.760 40.343 38.460 0.205 0.000 1.318 6 Y HN 1.896 nan 8.280 nan 0.000 0.459 7 A N 4.680 127.188 122.820 -0.522 0.000 2.594 7 A HA 0.850 5.170 4.320 -0.000 0.000 0.296 7 A C -1.840 175.486 177.584 -0.430 0.000 1.061 7 A CA -0.863 51.016 52.037 -0.263 0.000 0.689 7 A CB 1.710 20.755 19.000 0.075 0.000 1.280 7 A HN 1.000 nan 8.150 nan 0.000 0.406 8 R N -0.036 120.404 120.500 -0.101 0.000 2.626 8 R HA 0.894 5.234 4.340 -0.000 0.000 0.274 8 R C -1.063 175.279 176.300 0.070 0.000 1.031 8 R CA -0.364 55.740 56.100 0.008 0.000 0.898 8 R CB 1.917 32.310 30.300 0.155 0.000 1.222 8 R HN 1.085 nan 8.270 nan 0.000 0.455 9 S N 0.492 116.224 115.700 0.054 0.000 2.543 9 S HA 0.837 5.307 4.470 -0.000 0.000 0.274 9 S C -1.271 173.359 174.600 0.051 0.000 1.149 9 S CA 0.098 58.325 58.200 0.047 0.000 0.866 9 S CB 1.839 65.049 63.200 0.017 0.000 1.111 9 S HN 1.172 nan 8.310 nan 0.000 0.457 10 G N 1.625 110.449 108.800 0.039 0.000 2.489 10 G HA2 0.592 4.552 3.960 -0.000 0.000 0.305 10 G HA3 0.592 4.552 3.960 -0.000 0.000 0.305 10 G C -2.108 172.776 174.900 -0.028 0.000 1.311 10 G CA -0.368 44.760 45.100 0.046 0.000 0.813 10 G HN 0.993 nan 8.290 nan 0.000 0.480 11 I N -0.097 120.426 120.570 -0.078 0.000 2.582 11 I HA 0.797 4.967 4.170 -0.000 0.000 0.292 11 I C 0.051 175.898 176.117 -0.450 0.000 1.066 11 I CA -0.554 60.568 61.300 -0.297 0.000 1.053 11 I CB 2.012 39.813 38.000 -0.331 0.000 1.241 11 I HN 0.997 nan 8.210 nan 0.000 0.421 12 G N 5.913 114.311 108.800 -0.671 0.000 2.694 12 G HA2 0.574 4.534 3.960 -0.000 0.000 0.290 12 G HA3 0.574 4.534 3.960 -0.000 0.000 0.290 12 G C -2.293 172.039 174.900 -0.948 0.000 1.386 12 G CA -0.496 44.237 45.100 -0.612 0.000 0.872 12 G HN 0.563 nan 8.290 nan 0.000 0.475 13 W N -0.221 120.755 121.300 -0.541 0.000 3.032 13 W HA 0.508 5.168 4.660 -0.000 0.000 0.335 13 W C -0.757 175.347 176.519 -0.692 0.000 1.154 13 W CA -0.567 56.382 57.345 -0.661 0.000 1.204 13 W CB 2.462 31.333 29.460 -0.982 0.000 1.416 13 W HN 0.431 nan 8.180 nan 0.000 0.521 14 T N 1.220 115.638 114.554 -0.227 0.000 2.795 14 T HA 0.251 4.601 4.350 -0.000 0.000 0.282 14 T C 1.253 175.759 174.700 -0.324 0.000 0.980 14 T CA 0.048 62.021 62.100 -0.211 0.000 1.012 14 T CB 1.751 70.581 68.868 -0.063 0.000 0.936 14 T HN 0.616 nan 8.240 nan 0.000 0.457 15 G N 2.191 110.587 108.800 -0.674 0.000 2.529 15 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.219 15 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.219 15 G C 1.714 176.496 174.900 -0.197 0.000 1.177 15 G CA 1.370 45.906 45.100 -0.940 0.000 0.773 15 G HN 0.771 nan 8.290 nan 0.000 0.573 16 S N -0.374 115.281 115.700 -0.074 0.000 2.555 16 S HA 0.430 4.900 4.470 -0.000 0.000 0.230 16 S C 0.984 175.611 174.600 0.044 0.000 0.978 16 S CA 0.673 58.904 58.200 0.051 0.000 0.934 16 S CB -0.136 63.114 63.200 0.084 0.000 0.766 16 S HN 1.677 nan 8.310 nan 0.000 0.533 17 G N -1.011 107.798 108.800 0.015 0.000 2.379 17 G HA2 0.515 4.475 3.960 -0.000 0.000 0.609 17 G HA3 0.515 4.475 3.960 -0.000 0.000 0.609 17 G C 0.013 174.931 174.900 0.031 0.000 1.484 17 G CA -0.448 44.675 45.100 0.039 0.000 0.921 17 G HN 1.577 nan 8.290 nan 0.000 0.658 18 G N 0.412 109.245 108.800 0.056 0.000 2.698 18 G HA2 0.262 4.222 3.960 -0.000 0.000 0.233 18 G HA3 0.262 4.222 3.960 -0.000 0.000 0.233 18 G C 0.181 175.068 174.900 -0.022 0.000 1.352 18 G CA 0.741 45.859 45.100 0.031 0.000 0.879 18 G HN 1.909 nan 8.290 nan 0.000 0.567 19 E N 0.353 120.499 120.200 -0.089 0.000 2.461 19 E HA 0.341 4.691 4.350 -0.000 0.000 0.263 19 E C 1.020 177.507 176.600 -0.188 0.000 1.143 19 E CA 0.413 56.696 56.400 -0.195 0.000 0.994 19 E CB 0.306 29.910 29.700 -0.161 0.000 0.973 19 E HN 0.755 nan 8.360 nan 0.000 0.457 20 Q N 0.778 120.429 119.800 -0.249 0.000 2.395 20 Q HA -0.052 4.288 4.340 -0.000 0.000 0.271 20 Q C -0.700 175.194 176.000 -0.177 0.000 1.026 20 Q CA 0.341 56.031 55.803 -0.188 0.000 0.900 20 Q CB 0.506 29.152 28.738 -0.152 0.000 1.266 20 Q HN 0.432 nan 8.270 nan 0.000 0.430 21 Q N 1.775 121.446 119.800 -0.216 0.000 2.365 21 Q HA 0.453 4.793 4.340 -0.000 0.000 0.269 21 Q C -1.434 174.110 176.000 -0.760 0.000 1.061 21 Q CA -0.814 54.783 55.803 -0.344 0.000 0.816 21 Q CB 2.333 30.953 28.738 -0.197 0.000 1.325 21 Q HN 0.672 nan 8.270 nan 0.000 0.446 22 c N 1.986 120.163 118.600 -0.705 0.000 2.376 22 c HA 0.602 5.172 4.570 -0.000 0.000 0.335 22 c C -0.896 172.698 174.090 -0.827 0.000 1.229 22 c CA -0.687 55.169 56.329 -0.790 0.000 1.867 22 c CB -0.124 42.167 42.510 -0.364 0.000 2.319 22 c HN 0.630 nan 8.230 nan 0.000 0.515 23 F N 2.461 122.358 119.950 -0.089 0.000 2.388 23 F HA 0.571 5.098 4.527 -0.000 0.000 0.358 23 F C 0.267 175.984 175.800 -0.139 0.000 1.122 23 F CA -0.405 57.492 58.000 -0.172 0.000 1.056 23 F CB 0.578 39.510 39.000 -0.112 0.000 1.155 23 F HN 0.504 nan 8.300 nan 0.000 0.461 24 Q N 2.286 122.042 119.800 -0.074 0.000 2.285 24 Q HA 0.733 5.073 4.340 -0.000 0.000 0.269 24 Q C -1.006 174.893 176.000 -0.168 0.000 1.030 24 Q CA -0.950 54.801 55.803 -0.087 0.000 0.788 24 Q CB 2.133 30.805 28.738 -0.110 0.000 1.266 24 Q HN 0.844 nan 8.270 nan 0.000 0.438 25 A N 2.911 125.650 122.820 -0.134 0.000 2.520 25 A HA 0.219 4.539 4.320 -0.000 0.000 0.245 25 A C 0.019 177.440 177.584 -0.272 0.000 1.072 25 A CA 0.172 52.093 52.037 -0.194 0.000 0.761 25 A CB 0.122 19.051 19.000 -0.119 0.000 1.004 25 A HN 0.739 nan 8.150 nan 0.000 0.499 26 T N 2.251 116.600 114.554 -0.340 0.000 2.829 26 T HA 0.427 4.777 4.350 -0.000 0.000 0.293 26 T C 1.553 175.988 174.700 -0.442 0.000 0.970 26 T CA 1.278 63.148 62.100 -0.383 0.000 1.168 26 T CB 0.483 69.038 68.868 -0.521 0.000 0.911 26 T HN 1.946 nan 8.240 nan 0.000 0.535 27 G N 2.275 110.960 108.800 -0.192 0.000 2.279 27 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.223 27 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.223 27 G C 0.311 175.006 174.900 -0.342 0.000 1.015 27 G CA -0.173 44.913 45.100 -0.024 0.000 0.621 27 G HN 1.141 nan 8.290 nan 0.000 0.506 28 A N 0.295 122.765 122.820 -0.582 0.000 2.388 28 A HA 0.678 4.998 4.320 -0.000 0.000 0.257 28 A C 0.953 178.019 177.584 -0.863 0.000 1.095 28 A CA 0.645 51.963 52.037 -1.199 0.000 0.791 28 A CB 0.389 18.901 19.000 -0.813 0.000 1.029 28 A HN 0.431 nan 8.150 nan 0.000 0.489 29 Q N 0.468 119.572 119.800 -1.160 0.000 2.280 29 Q HA 0.140 4.480 4.340 -0.000 0.000 0.202 29 Q C 0.098 176.090 176.000 -0.014 0.000 0.903 29 Q CA 0.566 56.172 55.803 -0.328 0.000 0.948 29 Q CB -0.013 28.749 28.738 0.040 0.000 1.058 29 Q HN 0.879 nan 8.270 nan 0.000 0.493 30 S N -0.159 115.499 115.700 -0.070 0.000 2.661 30 S HA 0.610 5.080 4.470 -0.000 0.000 0.268 30 S C -1.491 173.117 174.600 0.013 0.000 1.162 30 S CA -1.142 57.103 58.200 0.075 0.000 0.817 30 S CB 1.748 65.065 63.200 0.195 0.000 1.141 30 S HN 0.193 nan 8.310 nan 0.000 0.477 31 K N -0.414 119.966 120.400 -0.033 0.000 2.536 31 K HA 0.548 4.868 4.320 -0.000 0.000 0.269 31 K C -1.981 174.548 176.600 -0.119 0.000 0.965 31 K CA -0.995 55.286 56.287 -0.011 0.000 0.860 31 K CB 0.864 33.376 32.500 0.021 0.000 1.423 31 K HN 0.567 nan 8.250 nan 0.000 0.438 32 Y N 2.329 122.681 120.300 0.087 0.000 2.531 32 Y HA 0.075 4.625 4.550 -0.000 0.000 0.347 32 Y C 1.727 177.653 175.900 0.044 0.000 1.024 32 Y CA -0.072 58.074 58.100 0.077 0.000 1.306 32 Y CB 1.007 39.536 38.460 0.115 0.000 1.149 32 Y HN 0.693 nan 8.280 nan 0.000 0.527 33 R N 2.360 122.885 120.500 0.042 0.000 2.115 33 R HA -0.026 4.314 4.340 -0.000 0.000 0.230 33 R C 0.384 176.683 176.300 -0.001 0.000 1.111 33 R CA 0.457 56.559 56.100 0.003 0.000 0.976 33 R CB -0.116 30.155 30.300 -0.049 0.000 0.870 33 R HN 0.515 nan 8.270 nan 0.000 0.445 34 L N 2.893 124.140 121.223 0.040 0.000 2.660 34 L HA -0.005 4.335 4.340 -0.000 0.000 0.272 34 L C 0.316 177.096 176.870 -0.150 0.000 1.194 34 L CA 1.649 56.485 54.840 -0.006 0.000 0.945 34 L CB 0.081 42.188 42.059 0.079 0.000 1.212 34 L HN 0.850 nan 8.230 nan 0.000 0.490 35 G N 3.882 112.398 108.800 -0.472 0.000 2.283 35 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.280 35 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.280 35 G C 0.381 174.966 174.900 -0.524 0.000 1.029 35 G CA 0.764 45.136 45.100 -1.212 0.000 0.840 35 G HN 0.807 nan 8.290 nan 0.000 0.505 36 N N -0.153 118.387 118.700 -0.267 0.000 2.545 36 N HA 0.184 4.924 4.740 -0.000 0.000 0.283 36 N C -0.583 174.858 175.510 -0.115 0.000 1.596 36 N CA -0.128 52.849 53.050 -0.120 0.000 0.862 36 N CB 0.601 39.098 38.487 0.015 0.000 1.422 36 N HN 0.557 nan 8.380 nan 0.000 0.489 37 E N -0.209 119.921 120.200 -0.117 0.000 2.218 37 E HA 0.355 4.705 4.350 -0.000 0.000 0.263 37 E C -0.466 176.105 176.600 -0.049 0.000 0.879 37 E CA -0.542 55.823 56.400 -0.058 0.000 0.762 37 E CB 1.397 31.096 29.700 -0.001 0.000 1.166 37 E HN 0.196 nan 8.360 nan 0.000 0.415 38 c N 3.318 121.882 118.600 -0.060 0.000 2.760 38 c HA 0.171 4.741 4.570 -0.000 0.000 0.293 38 c C 0.065 174.137 174.090 -0.030 0.000 1.383 38 c CA -0.317 55.974 56.329 -0.064 0.000 1.771 38 c CB -1.206 41.236 42.510 -0.113 0.000 2.353 38 c HN 0.622 nan 8.230 nan 0.000 0.578 39 E N -0.876 119.333 120.200 0.015 0.000 2.433 39 E HA 0.312 4.662 4.350 -0.000 0.000 0.278 39 E C -1.444 175.218 176.600 0.103 0.000 0.976 39 E CA -0.386 56.043 56.400 0.049 0.000 0.793 39 E CB 0.898 30.635 29.700 0.063 0.000 1.311 39 E HN -0.071 nan 8.360 nan 0.000 0.460 40 T N 1.876 116.497 114.554 0.112 0.000 2.733 40 T HA 0.375 4.725 4.350 -0.000 0.000 0.294 40 T C -1.394 173.446 174.700 0.233 0.000 0.956 40 T CA -0.222 61.957 62.100 0.132 0.000 0.987 40 T CB -0.307 68.600 68.868 0.065 0.000 0.920 40 T HN 0.361 nan 8.240 nan 0.000 0.470 41 Y N 2.583 122.971 120.300 0.148 0.000 2.425 41 Y HA 0.660 5.210 4.550 0.000 0.000 0.344 41 Y C -0.924 175.138 175.900 0.270 0.000 0.969 41 Y CA -1.182 57.047 58.100 0.215 0.000 1.052 41 Y CB 1.285 39.896 38.460 0.251 0.000 1.215 41 Y HN 0.725 nan 8.280 nan 0.000 0.451 42 A N 4.900 127.469 122.820 -0.418 0.000 2.488 42 A HA 0.670 4.990 4.320 -0.000 0.000 0.298 42 A C -1.669 175.795 177.584 -0.199 0.000 1.044 42 A CA -0.853 51.091 52.037 -0.155 0.000 0.693 42 A CB 1.404 20.441 19.000 0.061 0.000 1.272 42 A HN 0.757 nan 8.150 nan 0.000 0.402 43 E N 1.752 121.949 120.200 -0.004 0.000 2.185 43 E HA 0.483 4.833 4.350 -0.000 0.000 0.261 43 E C -1.347 175.327 176.600 0.123 0.000 0.879 43 E CA -0.372 56.046 56.400 0.031 0.000 0.756 43 E CB 1.876 31.608 29.700 0.054 0.000 1.152 43 E HN 0.558 nan 8.360 nan 0.000 0.416 44 L N 3.869 125.225 121.223 0.221 0.000 2.276 44 L HA 0.427 4.767 4.340 -0.000 0.000 0.286 44 L C -0.211 176.792 176.870 0.221 0.000 1.024 44 L CA -0.589 54.463 54.840 0.354 0.000 0.826 44 L CB 0.708 43.066 42.059 0.498 0.000 1.211 44 L HN 0.282 nan 8.230 nan 0.000 0.422 45 K N 5.139 125.619 120.400 0.134 0.000 2.206 45 K HA 0.693 5.013 4.320 -0.000 0.000 0.264 45 K C -1.014 175.706 176.600 0.201 0.000 0.967 45 K CA -0.492 55.834 56.287 0.063 0.000 0.844 45 K CB 2.233 34.696 32.500 -0.063 0.000 1.099 45 K HN 0.456 nan 8.250 nan 0.000 0.441 46 L N 2.236 123.533 121.223 0.122 0.000 2.372 46 L HA 0.575 4.915 4.340 -0.000 0.000 0.274 46 L C 0.057 176.912 176.870 -0.024 0.000 0.988 46 L CA -0.632 54.286 54.840 0.131 0.000 0.833 46 L CB 1.978 44.114 42.059 0.129 0.000 1.236 46 L HN 0.823 nan 8.230 nan 0.000 0.410 47 G N 2.078 110.883 108.800 0.008 0.000 2.798 47 G HA2 0.724 4.683 3.960 -0.000 0.000 0.286 47 G HA3 0.724 4.683 3.960 -0.000 0.000 0.286 47 G C -1.950 172.857 174.900 -0.155 0.000 1.389 47 G CA -0.318 44.681 45.100 -0.167 0.000 0.894 47 G HN 0.434 nan 8.290 nan 0.000 0.488 48 Q N -0.901 118.585 119.800 -0.524 0.000 2.503 48 Q HA 0.245 4.585 4.340 -0.000 0.000 0.268 48 Q C -1.658 174.077 176.000 -0.441 0.000 0.982 48 Q CA -0.580 55.056 55.803 -0.278 0.000 0.907 48 Q CB 2.307 31.034 28.738 -0.017 0.000 1.467 48 Q HN 0.624 nan 8.270 nan 0.000 0.394 49 E N 2.695 122.888 120.200 -0.011 0.000 1.932 49 E HA 0.161 4.511 4.350 -0.000 0.000 0.275 49 E C 0.629 177.331 176.600 0.169 0.000 1.159 49 E CA -0.099 56.427 56.400 0.211 0.000 0.905 49 E CB 0.560 30.458 29.700 0.331 0.000 1.059 49 E HN 0.518 nan 8.360 nan 0.000 0.400 50 V N 2.491 122.514 119.914 0.181 0.000 3.380 50 V HA 0.176 4.296 4.120 -0.000 0.000 0.268 50 V C 0.151 176.442 176.094 0.327 0.000 1.168 50 V CA -0.007 62.405 62.300 0.186 0.000 1.156 50 V CB -1.140 30.742 31.823 0.097 0.000 0.785 50 V HN 0.658 nan 8.190 nan 0.000 0.487 51 W N 0.022 121.418 121.300 0.159 0.000 3.645 51 W HA 0.608 5.268 4.660 -0.000 0.000 0.285 51 W C -1.306 175.330 176.519 0.195 0.000 1.266 51 W CA -0.821 56.627 57.345 0.171 0.000 1.212 51 W CB 1.172 30.756 29.460 0.206 0.000 1.306 51 W HN -0.134 nan 8.180 nan 0.000 0.552 52 K N 4.191 124.370 120.400 -0.368 0.000 2.565 52 K HA 0.329 4.649 4.320 -0.000 0.000 0.251 52 K C -1.743 174.337 176.600 -0.868 0.000 0.956 52 K CA -0.508 55.509 56.287 -0.450 0.000 0.809 52 K CB 2.081 34.486 32.500 -0.158 0.000 1.267 52 K HN 0.562 nan 8.250 nan 0.000 0.438 53 E N 3.363 123.037 120.200 -0.877 0.000 2.642 53 E HA 0.328 4.678 4.350 -0.000 0.000 0.284 53 E C -0.034 176.389 176.600 -0.296 0.000 1.039 53 E CA 0.233 56.245 56.400 -0.645 0.000 0.777 53 E CB 0.753 29.946 29.700 -0.845 0.000 1.473 53 E HN 0.935 nan 8.360 nan 0.000 0.388 54 G N 3.906 112.593 108.800 -0.189 0.000 2.552 54 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.267 54 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.267 54 G C 0.424 175.277 174.900 -0.079 0.000 1.174 54 G CA 0.232 45.274 45.100 -0.098 0.000 0.955 54 G HN 0.576 nan 8.290 nan 0.000 0.546 55 D N 1.839 122.211 120.400 -0.046 0.000 2.339 55 D HA 0.126 4.766 4.640 -0.000 0.000 0.217 55 D C 0.826 177.113 176.300 -0.021 0.000 1.050 55 D CA 0.563 54.544 54.000 -0.032 0.000 0.856 55 D CB 0.306 41.094 40.800 -0.020 0.000 0.922 55 D HN 0.390 nan 8.370 nan 0.000 0.518 56 K N 0.859 121.253 120.400 -0.009 0.000 2.143 56 K HA 0.415 4.735 4.320 -0.000 0.000 0.272 56 K C 0.056 176.710 176.600 0.091 0.000 1.001 56 K CA -0.347 55.981 56.287 0.069 0.000 0.915 56 K CB 1.786 34.430 32.500 0.240 0.000 1.047 56 K HN -0.092 nan 8.250 nan 0.000 0.458 57 S N 1.192 116.964 115.700 0.120 0.000 2.565 57 S HA 0.600 5.070 4.470 -0.000 0.000 0.269 57 S C -1.398 173.266 174.600 0.108 0.000 1.153 57 S CA -1.040 57.306 58.200 0.242 0.000 0.835 57 S CB 0.659 63.946 63.200 0.144 0.000 1.122 57 S HN 0.363 nan 8.310 nan 0.000 0.462 58 F N 1.374 121.551 119.950 0.377 0.000 2.507 58 F HA 0.577 5.104 4.527 -0.000 0.000 0.328 58 F C -0.758 175.212 175.800 0.284 0.000 1.136 58 F CA -0.582 57.581 58.000 0.273 0.000 0.930 58 F CB 1.710 40.825 39.000 0.191 0.000 1.166 58 F HN 0.774 nan 8.300 nan 0.000 0.436 59 Y N 4.429 124.915 120.300 0.309 0.000 2.377 59 Y HA 0.556 5.106 4.550 -0.000 0.000 0.339 59 Y C -1.472 174.605 175.900 0.295 0.000 1.011 59 Y CA -1.508 56.738 58.100 0.244 0.000 1.093 59 Y CB 1.196 39.732 38.460 0.126 0.000 1.201 59 Y HN 0.473 nan 8.280 nan 0.000 0.455 60 F N 5.908 125.615 119.950 -0.404 0.000 2.458 60 F HA 0.535 5.062 4.527 -0.000 0.000 0.336 60 F C -1.272 174.352 175.800 -0.294 0.000 1.114 60 F CA -0.758 57.118 58.000 -0.206 0.000 0.987 60 F CB 1.079 39.986 39.000 -0.155 0.000 1.130 60 F HN 0.559 nan 8.300 nan 0.000 0.458 61 D N 2.722 122.725 120.400 -0.661 0.000 2.732 61 D HA 0.548 5.188 4.640 -0.000 0.000 0.229 61 D C -1.095 174.779 176.300 -0.709 0.000 1.152 61 D CA -0.022 53.660 54.000 -0.530 0.000 0.854 61 D CB 2.362 43.128 40.800 -0.056 0.000 1.590 61 D HN 0.719 nan 8.370 nan 0.000 0.468 62 T N -0.113 114.122 114.554 -0.532 0.000 2.838 62 T HA 0.674 5.024 4.350 -0.000 0.000 0.292 62 T C -1.004 173.498 174.700 -0.330 0.000 1.113 62 T CA -0.990 60.850 62.100 -0.433 0.000 1.008 62 T CB 1.432 70.144 68.868 -0.260 0.000 1.259 62 T HN 0.408 nan 8.240 nan 0.000 0.520 63 N N 0.056 118.538 118.700 -0.363 0.000 2.648 63 N HA 0.459 5.199 4.740 -0.000 0.000 0.272 63 N C -2.127 173.254 175.510 -0.215 0.000 1.118 63 N CA -0.618 52.251 53.050 -0.301 0.000 0.973 63 N CB 1.779 39.953 38.487 -0.522 0.000 1.565 63 N HN 0.560 nan 8.380 nan 0.000 0.542 64 V N 2.199 122.090 119.914 -0.039 0.000 2.378 64 V HA 0.754 4.874 4.120 -0.000 0.000 0.288 64 V C -0.023 175.984 176.094 -0.146 0.000 1.016 64 V CA -0.572 61.708 62.300 -0.034 0.000 0.840 64 V CB 1.023 32.883 31.823 0.061 0.000 0.994 64 V HN 0.751 nan 8.190 nan 0.000 0.431 65 A N 5.024 127.708 122.820 -0.227 0.000 2.305 65 A HA 0.884 5.204 4.320 -0.000 0.000 0.322 65 A C -1.371 176.011 177.584 -0.335 0.000 1.187 65 A CA -0.376 51.549 52.037 -0.187 0.000 0.825 65 A CB 0.687 19.696 19.000 0.014 0.000 1.164 65 A HN 0.727 nan 8.150 nan 0.000 0.498 66 Y N 0.540 120.784 120.300 -0.094 0.000 2.391 66 Y HA 0.616 5.166 4.550 0.000 0.000 0.341 66 Y C 0.479 176.398 175.900 0.032 0.000 0.965 66 Y CA -0.457 57.630 58.100 -0.021 0.000 1.067 66 Y CB 2.546 40.985 38.460 -0.036 0.000 1.199 66 Y HN 0.560 nan 8.280 nan 0.000 0.450 67 S N 3.298 119.162 115.700 0.273 0.000 2.707 67 S HA 0.778 5.248 4.470 -0.000 0.000 0.303 67 S C -1.267 173.438 174.600 0.175 0.000 1.132 67 S CA -0.564 57.817 58.200 0.302 0.000 1.046 67 S CB 0.140 63.534 63.200 0.323 0.000 1.004 67 S HN 0.621 nan 8.310 nan 0.000 0.483 68 V N 3.030 123.026 119.914 0.136 0.000 3.040 68 V HA 0.671 4.791 4.120 -0.000 0.000 0.312 68 V C 0.219 176.346 176.094 0.054 0.000 1.115 68 V CA -0.988 61.355 62.300 0.071 0.000 0.998 68 V CB 1.982 33.824 31.823 0.031 0.000 1.042 68 V HN 0.721 nan 8.190 nan 0.000 0.433 69 N N 1.439 120.155 118.700 0.027 0.000 2.449 69 N HA -0.020 4.720 4.740 -0.000 0.000 0.191 69 N C 0.912 176.417 175.510 -0.009 0.000 1.161 69 N CA 0.887 53.942 53.050 0.008 0.000 0.863 69 N CB -0.142 38.345 38.487 -0.001 0.000 0.980 69 N HN 1.058 nan 8.380 nan 0.000 0.458 70 Q N 0.283 120.080 119.800 -0.005 0.000 2.423 70 Q HA -0.283 4.057 4.340 -0.000 0.000 0.332 70 Q C -0.078 175.897 176.000 -0.042 0.000 1.355 70 Q CA 0.992 56.781 55.803 -0.022 0.000 0.947 70 Q CB -2.404 26.321 28.738 -0.022 0.000 1.189 70 Q HN 0.626 nan 8.270 nan 0.000 0.418 71 Q N -0.867 118.916 119.800 -0.027 0.000 2.189 71 Q HA 0.396 4.736 4.340 -0.000 0.000 0.223 71 Q C -0.223 175.772 176.000 -0.008 0.000 0.828 71 Q CA -0.346 55.438 55.803 -0.032 0.000 0.967 71 Q CB 0.770 29.492 28.738 -0.028 0.000 1.139 71 Q HN 0.406 nan 8.270 nan 0.000 0.497 72 N N 0.019 118.723 118.700 0.006 0.000 3.046 72 N HA -0.005 4.735 4.740 -0.000 0.000 0.243 72 N C -0.795 174.738 175.510 0.039 0.000 1.452 72 N CA -0.210 52.860 53.050 0.033 0.000 0.882 72 N CB 1.772 40.297 38.487 0.064 0.000 1.425 72 N HN 0.017 nan 8.380 nan 0.000 0.517 73 D N -0.045 120.395 120.400 0.066 0.000 2.083 73 D HA -0.107 4.533 4.640 -0.000 0.000 0.199 73 D C 0.116 176.474 176.300 0.096 0.000 0.980 73 D CA 1.048 55.090 54.000 0.070 0.000 0.851 73 D CB -0.020 40.836 40.800 0.093 0.000 0.997 73 D HN 0.419 nan 8.370 nan 0.000 0.449 74 W N 2.473 123.768 121.300 -0.009 0.000 2.605 74 W HA 0.250 4.909 4.660 -0.000 0.000 0.327 74 W C -0.961 175.558 176.519 0.000 0.000 1.332 74 W CA 0.051 57.392 57.345 -0.006 0.000 1.403 74 W CB -0.187 29.270 29.460 -0.004 0.000 1.452 74 W HN 0.130 nan 8.180 nan 0.000 0.503 75 E N 4.355 124.408 120.200 -0.244 0.000 2.279 75 E HA 0.153 4.503 4.350 -0.000 0.000 0.252 75 E C -0.386 176.059 176.600 -0.258 0.000 0.894 75 E CA -0.418 55.908 56.400 -0.124 0.000 0.785 75 E CB 1.674 31.339 29.700 -0.058 0.000 1.237 75 E HN 0.086 nan 8.360 nan 0.000 0.418 76 S N 1.523 117.132 115.700 -0.152 0.000 2.585 76 S HA 0.388 4.858 4.470 -0.000 0.000 0.273 76 S C 0.140 174.728 174.600 -0.020 0.000 1.339 76 S CA -0.013 58.125 58.200 -0.103 0.000 1.028 76 S CB 1.338 64.593 63.200 0.093 0.000 0.906 76 S HN 0.531 nan 8.310 nan 0.000 0.528 77 T N 0.624 115.182 114.554 0.007 0.000 2.769 77 T HA 0.264 4.614 4.350 -0.000 0.000 0.306 77 T C -2.331 172.399 174.700 0.050 0.000 1.400 77 T CA -0.770 61.358 62.100 0.047 0.000 1.007 77 T CB 1.276 70.195 68.868 0.086 0.000 1.392 77 T HN 0.472 nan 8.240 nan 0.000 0.500 78 D N 3.769 124.191 120.400 0.036 0.000 2.460 78 D HA 0.347 4.987 4.640 -0.000 0.000 0.232 78 D C -1.943 174.342 176.300 -0.024 0.000 1.079 78 D CA -0.930 53.076 54.000 0.010 0.000 0.864 78 D CB 1.584 42.389 40.800 0.009 0.000 1.048 78 D HN 0.403 nan 8.370 nan 0.000 0.523 79 P HA 0.168 nan 4.420 nan 0.000 0.269 79 P C -0.878 176.333 177.300 -0.148 0.000 1.215 79 P CA -0.469 62.466 63.100 -0.275 0.000 0.780 79 P CB 1.078 32.455 31.700 -0.539 0.000 0.898 80 A N 2.797 125.537 122.820 -0.133 0.000 2.260 80 A HA 0.362 4.682 4.320 -0.000 0.000 0.314 80 A C -0.678 176.919 177.584 0.021 0.000 1.257 80 A CA -0.558 51.465 52.037 -0.023 0.000 0.871 80 A CB -0.234 18.772 19.000 0.010 0.000 1.166 80 A HN 0.475 nan 8.150 nan 0.000 0.522 81 F N 3.718 123.601 119.950 -0.112 0.000 2.462 81 F HA 0.299 4.826 4.527 -0.000 0.000 0.354 81 F C 1.204 176.942 175.800 -0.103 0.000 1.192 81 F CA -0.718 57.215 58.000 -0.111 0.000 1.173 81 F CB 0.339 39.291 39.000 -0.080 0.000 1.402 81 F HN 0.743 nan 8.300 nan 0.000 0.595 82 R N 2.149 122.468 120.500 -0.302 0.000 2.161 82 R HA 0.130 4.470 4.340 -0.000 0.000 0.213 82 R C -0.139 175.832 176.300 -0.548 0.000 1.055 82 R CA 0.633 56.531 56.100 -0.337 0.000 0.996 82 R CB 0.247 30.424 30.300 -0.205 0.000 0.901 82 R HN 0.499 nan 8.270 nan 0.000 0.456 83 E N -0.609 119.132 120.200 -0.766 0.000 2.340 83 E HA 0.617 4.967 4.350 -0.000 0.000 0.273 83 E C -1.567 174.595 176.600 -0.730 0.000 0.891 83 E CA -0.771 55.225 56.400 -0.673 0.000 0.757 83 E CB 2.479 31.771 29.700 -0.680 0.000 1.231 83 E HN 0.127 nan 8.360 nan 0.000 0.439 84 A N 2.799 125.360 122.820 -0.432 0.000 2.480 84 A HA 0.355 4.675 4.320 -0.000 0.000 0.302 84 A C -1.411 176.174 177.584 0.001 0.000 1.151 84 A CA -0.837 51.071 52.037 -0.215 0.000 0.907 84 A CB -0.303 18.626 19.000 -0.117 0.000 1.487 84 A HN 0.711 nan 8.150 nan 0.000 0.396 85 N N -0.624 118.097 118.700 0.036 0.000 2.525 85 N HA 0.765 5.505 4.740 -0.000 0.000 0.270 85 N C -1.349 174.327 175.510 0.277 0.000 1.321 85 N CA -0.873 52.282 53.050 0.174 0.000 0.797 85 N CB 2.066 40.651 38.487 0.162 0.000 1.529 85 N HN 0.207 nan 8.380 nan 0.000 0.491 86 V N 0.158 120.262 119.914 0.316 0.000 2.604 86 V HA 0.471 4.591 4.120 -0.000 0.000 0.305 86 V C -0.889 175.416 176.094 0.352 0.000 1.043 86 V CA -0.553 61.959 62.300 0.353 0.000 0.888 86 V CB 1.483 33.488 31.823 0.304 0.000 0.995 86 V HN 0.687 nan 8.190 nan 0.000 0.429 87 Q N 2.186 122.192 119.800 0.344 0.000 2.325 87 Q HA 0.650 4.990 4.340 -0.000 0.000 0.270 87 Q C -0.042 176.056 176.000 0.163 0.000 1.020 87 Q CA -0.474 55.490 55.803 0.269 0.000 0.785 87 Q CB 2.441 31.293 28.738 0.191 0.000 1.259 87 Q HN 0.932 nan 8.270 nan 0.000 0.452 88 G N 2.388 111.196 108.800 0.014 0.000 2.437 88 G HA2 0.479 4.439 3.960 -0.000 0.000 0.315 88 G HA3 0.479 4.439 3.960 -0.000 0.000 0.315 88 G C -0.742 174.023 174.900 -0.225 0.000 1.210 88 G CA -0.549 44.331 45.100 -0.368 0.000 0.943 88 G HN 0.281 nan 8.290 nan 0.000 0.471 89 K N 2.225 122.510 120.400 -0.192 0.000 2.172 89 K HA 0.329 4.649 4.320 -0.000 0.000 0.276 89 K C 0.669 177.201 176.600 -0.112 0.000 1.013 89 K CA -0.704 55.518 56.287 -0.109 0.000 0.913 89 K CB 0.837 33.300 32.500 -0.062 0.000 1.055 89 K HN 0.441 nan 8.250 nan 0.000 0.461 90 N N 1.714 120.359 118.700 -0.092 0.000 2.725 90 N HA -0.202 4.538 4.740 -0.000 0.000 0.249 90 N C -0.023 175.445 175.510 -0.071 0.000 1.103 90 N CA 0.547 53.552 53.050 -0.075 0.000 0.707 90 N CB -0.891 37.571 38.487 -0.042 0.000 1.043 90 N HN 0.543 nan 8.380 nan 0.000 0.553 91 L N -0.657 120.501 121.223 -0.108 0.000 2.307 91 L HA 0.108 4.448 4.340 -0.000 0.000 0.211 91 L C 0.862 177.687 176.870 -0.074 0.000 1.099 91 L CA 0.664 55.455 54.840 -0.081 0.000 0.816 91 L CB 0.015 42.001 42.059 -0.123 0.000 0.952 91 L HN 0.103 nan 8.230 nan 0.000 0.455 92 I N 0.782 121.260 120.570 -0.154 0.000 2.281 92 I HA 0.078 4.248 4.170 -0.000 0.000 0.293 92 I C 1.043 177.005 176.117 -0.258 0.000 1.085 92 I CA 0.005 61.143 61.300 -0.271 0.000 1.257 92 I CB 0.816 38.505 38.000 -0.518 0.000 1.430 92 I HN 0.059 nan 8.210 nan 0.000 0.489 93 E N 6.198 126.354 120.200 -0.073 0.000 2.065 93 E HA -0.217 4.133 4.350 -0.000 0.000 0.201 93 E C 1.727 178.366 176.600 0.065 0.000 1.016 93 E CA 2.054 58.480 56.400 0.043 0.000 0.818 93 E CB -0.095 29.703 29.700 0.163 0.000 0.749 93 E HN 0.788 nan 8.360 nan 0.000 0.453 94 W N -0.209 121.096 121.300 0.009 0.000 3.077 94 W HA 0.153 4.813 4.660 0.000 0.000 0.245 94 W C -0.110 176.412 176.519 0.005 0.000 1.316 94 W CA 0.239 57.588 57.345 0.007 0.000 1.537 94 W CB -0.488 28.977 29.460 0.008 0.000 1.131 94 W HN -0.047 nan 8.180 nan 0.000 0.695 95 L N 3.575 124.584 121.223 -0.357 0.000 2.732 95 L HA 0.291 4.631 4.340 -0.000 0.000 0.246 95 L C -2.051 174.700 176.870 -0.198 0.000 1.407 95 L CA -1.749 52.904 54.840 -0.312 0.000 0.861 95 L CB 0.519 42.246 42.059 -0.554 0.000 1.161 95 L HN -0.444 nan 8.230 nan 0.000 0.510 96 P HA -0.009 nan 4.420 nan 0.000 0.262 96 P C 0.967 178.223 177.300 -0.074 0.000 1.182 96 P CA 1.334 64.392 63.100 -0.070 0.000 0.761 96 P CB 1.274 32.957 31.700 -0.029 0.000 0.795 97 G N 2.265 111.022 108.800 -0.072 0.000 2.253 97 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.251 97 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.251 97 G C 0.391 175.246 174.900 -0.074 0.000 0.998 97 G CA 0.366 45.426 45.100 -0.067 0.000 0.621 97 G HN 0.903 nan 8.290 nan 0.000 0.524 98 S N -0.030 115.614 115.700 -0.094 0.000 2.584 98 S HA 0.592 5.062 4.470 -0.000 0.000 0.270 98 S C 0.004 174.563 174.600 -0.068 0.000 1.346 98 S CA 0.919 59.068 58.200 -0.085 0.000 1.018 98 S CB 1.775 64.896 63.200 -0.131 0.000 0.899 98 S HN 0.713 nan 8.310 nan 0.000 0.542 99 T N 2.467 117.011 114.554 -0.017 0.000 2.841 99 T HA 0.535 4.885 4.350 -0.000 0.000 0.285 99 T C -0.022 174.740 174.700 0.103 0.000 0.991 99 T CA -0.641 61.472 62.100 0.023 0.000 0.966 99 T CB 0.516 69.410 68.868 0.044 0.000 0.962 99 T HN 0.723 nan 8.240 nan 0.000 0.438 100 I N 1.075 121.684 120.570 0.065 0.000 2.498 100 I HA 0.897 5.067 4.170 -0.000 0.000 0.301 100 I C -0.669 175.561 176.117 0.189 0.000 0.984 100 I CA -0.894 60.440 61.300 0.058 0.000 1.204 100 I CB 1.507 39.483 38.000 -0.041 0.000 1.362 100 I HN 0.702 nan 8.210 nan 0.000 0.471 101 W N 3.708 124.998 121.300 -0.016 0.000 3.074 101 W HA 0.867 5.527 4.660 -0.000 0.000 0.332 101 W C -1.948 174.563 176.519 -0.012 0.000 1.253 101 W CA -1.460 55.890 57.345 0.008 0.000 1.180 101 W CB 1.149 30.617 29.460 0.012 0.000 1.445 101 W HN 0.872 nan 8.180 nan 0.000 0.573 102 A N 1.416 124.344 122.820 0.179 0.000 2.566 102 A HA 0.884 5.204 4.320 -0.000 0.000 0.297 102 A C -0.240 177.465 177.584 0.200 0.000 1.059 102 A CA 0.063 52.083 52.037 -0.028 0.000 0.691 102 A CB 1.024 19.962 19.000 -0.103 0.000 1.282 102 A HN 2.407 nan 8.150 nan 0.000 0.401 103 G N 0.643 109.540 108.800 0.162 0.000 2.343 103 G HA2 0.230 4.190 3.960 -0.000 0.000 0.465 103 G HA3 0.230 4.190 3.960 -0.000 0.000 0.465 103 G C -1.108 173.891 174.900 0.164 0.000 1.282 103 G CA -0.851 44.337 45.100 0.148 0.000 0.996 103 G HN 0.806 nan 8.290 nan 0.000 0.521 104 K N 0.293 120.718 120.400 0.042 0.000 2.368 104 K HA 0.482 4.802 4.320 -0.000 0.000 0.282 104 K C 0.430 176.991 176.600 -0.064 0.000 1.035 104 K CA 0.068 56.341 56.287 -0.024 0.000 0.973 104 K CB 1.196 33.611 32.500 -0.142 0.000 0.957 104 K HN 0.693 nan 8.250 nan 0.000 0.474 105 R N 2.737 123.217 120.500 -0.034 0.000 2.604 105 R HA 0.206 4.546 4.340 -0.000 0.000 0.270 105 R C -1.369 174.926 176.300 -0.009 0.000 1.052 105 R CA -0.681 55.338 56.100 -0.136 0.000 0.902 105 R CB 0.821 30.957 30.300 -0.272 0.000 1.233 105 R HN 0.294 nan 8.270 nan 0.000 0.455 106 F N 4.241 124.052 119.950 -0.231 0.000 2.541 106 F HA 0.153 4.680 4.527 -0.000 0.000 0.347 106 F C -0.205 175.442 175.800 -0.254 0.000 1.242 106 F CA -0.509 57.351 58.000 -0.234 0.000 1.123 106 F CB -0.297 38.553 39.000 -0.250 0.000 1.354 106 F HN 0.361 nan 8.300 nan 0.000 0.621 107 Y N 3.880 124.058 120.300 -0.203 0.000 2.452 107 Y HA 0.185 4.735 4.550 -0.000 0.000 0.348 107 Y C 0.790 176.497 175.900 -0.321 0.000 0.985 107 Y CA -0.769 57.132 58.100 -0.333 0.000 1.214 107 Y CB 0.193 38.474 38.460 -0.298 0.000 1.136 107 Y HN 0.604 nan 8.280 nan 0.000 0.523 108 Q N 4.354 123.655 119.800 -0.831 0.000 2.413 108 Q HA -0.314 4.026 4.340 -0.000 0.000 0.364 108 Q C -0.420 175.296 176.000 -0.473 0.000 1.359 108 Q CA 0.724 56.082 55.803 -0.742 0.000 1.097 108 Q CB -0.815 27.316 28.738 -1.012 0.000 1.286 108 Q HN 0.693 nan 8.270 nan 0.000 0.358 109 R N 1.128 121.423 120.500 -0.341 0.000 2.490 109 R HA 0.303 4.643 4.340 -0.000 0.000 0.280 109 R C -0.082 176.127 176.300 -0.152 0.000 1.077 109 R CA -0.166 55.810 56.100 -0.206 0.000 1.065 109 R CB 0.720 30.904 30.300 -0.194 0.000 1.003 109 R HN 0.313 nan 8.270 nan 0.000 0.470 110 H N 1.956 120.808 119.070 -0.362 0.000 2.547 110 H HA 0.196 4.752 4.556 0.000 0.000 0.342 110 H C -0.652 174.182 175.328 -0.823 0.000 1.048 110 H CA -0.823 54.902 56.048 -0.539 0.000 1.204 110 H CB 1.803 31.200 29.762 -0.609 0.000 1.493 110 H HN 0.714 nan 8.280 nan 0.000 0.511 111 D N 1.502 121.608 120.400 -0.489 0.000 2.596 111 D HA 0.205 4.845 4.640 -0.000 0.000 0.262 111 D C -1.014 175.203 176.300 -0.138 0.000 1.210 111 D CA -0.760 52.938 54.000 -0.503 0.000 0.873 111 D CB 1.764 41.903 40.800 -1.101 0.000 1.408 111 D HN 0.173 nan 8.370 nan 0.000 0.441 112 V N 1.716 121.549 119.914 -0.134 0.000 2.326 112 V HA 0.098 4.218 4.120 -0.000 0.000 0.281 112 V C 1.210 177.277 176.094 -0.044 0.000 1.015 112 V CA -0.493 61.712 62.300 -0.158 0.000 0.823 112 V CB 0.488 32.191 31.823 -0.201 0.000 1.009 112 V HN 0.762 nan 8.190 nan 0.000 0.436 113 H N 5.767 124.861 119.070 0.038 0.000 2.289 113 H HA -0.273 4.283 4.556 -0.000 0.000 0.294 113 H C 2.108 177.467 175.328 0.051 0.000 1.095 113 H CA 3.111 59.212 56.048 0.087 0.000 1.256 113 H CB 0.122 30.055 29.762 0.285 0.000 1.359 113 H HN 0.683 nan 8.280 nan 0.000 0.487 114 M N 0.040 119.600 119.600 -0.066 0.000 2.346 114 M HA -0.059 4.421 4.480 -0.000 0.000 0.263 114 M C 1.530 177.724 176.300 -0.176 0.000 1.064 114 M CA 2.179 57.420 55.300 -0.099 0.000 1.083 114 M CB -0.346 32.309 32.600 0.091 0.000 1.399 114 M HN 0.506 nan 8.290 nan 0.000 0.435 115 I N -3.370 117.070 120.570 -0.216 0.000 4.082 115 I HA 0.335 4.505 4.170 -0.000 0.000 0.337 115 I C -0.150 175.893 176.117 -0.123 0.000 1.352 115 I CA -0.312 60.822 61.300 -0.276 0.000 1.097 115 I CB -0.108 37.651 38.000 -0.402 0.000 1.048 115 I HN 0.073 nan 8.210 nan 0.000 0.393 116 D N 2.269 122.577 120.400 -0.154 0.000 2.686 116 D HA -0.292 4.348 4.640 -0.000 0.000 0.235 116 D C -0.766 175.507 176.300 -0.045 0.000 1.160 116 D CA 0.772 54.686 54.000 -0.144 0.000 0.645 116 D CB -1.134 39.605 40.800 -0.103 0.000 1.039 116 D HN 0.528 nan 8.370 nan 0.000 0.423 117 F N 1.430 121.245 119.950 -0.224 0.000 2.426 117 F HA 0.478 5.005 4.527 -0.000 0.000 0.348 117 F C -0.908 174.776 175.800 -0.194 0.000 1.124 117 F CA -0.898 57.040 58.000 -0.105 0.000 1.008 117 F CB 0.717 39.698 39.000 -0.033 0.000 1.139 117 F HN -0.128 nan 8.300 nan 0.000 0.452 118 Y N 6.458 126.390 120.300 -0.614 0.000 2.350 118 Y HA 0.186 4.736 4.550 -0.000 0.000 0.340 118 Y C 0.219 175.674 175.900 -0.742 0.000 1.006 118 Y CA -0.297 57.470 58.100 -0.555 0.000 1.166 118 Y CB 0.589 38.781 38.460 -0.447 0.000 1.168 118 Y HN 0.651 nan 8.280 nan 0.000 0.502 119 Y N -0.565 119.557 120.300 -0.297 0.000 2.467 119 Y HA 0.328 4.878 4.550 -0.000 0.000 0.250 119 Y C -0.513 175.408 175.900 0.035 0.000 1.155 119 Y CA -1.045 56.946 58.100 -0.183 0.000 1.249 119 Y CB 0.486 38.971 38.460 0.042 0.000 1.146 119 Y HN 0.484 nan 8.280 nan 0.000 0.524 120 W N 2.663 123.737 121.300 -0.376 0.000 2.822 120 W HA 0.437 5.097 4.660 0.000 0.000 0.317 120 W C -2.194 174.184 176.519 -0.235 0.000 1.033 120 W CA -1.675 55.500 57.345 -0.283 0.000 1.252 120 W CB 1.246 30.445 29.460 -0.435 0.000 1.186 120 W HN 0.120 nan 8.180 nan 0.000 0.383 121 D N 5.090 125.505 120.400 0.025 0.000 2.319 121 D HA 0.218 4.858 4.640 -0.000 0.000 0.237 121 D C 0.213 176.451 176.300 -0.104 0.000 1.353 121 D CA -0.233 53.684 54.000 -0.138 0.000 0.992 121 D CB 0.359 41.014 40.800 -0.242 0.000 1.368 121 D HN 0.331 nan 8.370 nan 0.000 0.564 122 I N 0.082 120.603 120.570 -0.081 0.000 3.891 122 I HA 0.379 4.549 4.170 -0.000 0.000 0.331 122 I C -0.021 176.071 176.117 -0.042 0.000 1.406 122 I CA -0.549 60.724 61.300 -0.045 0.000 1.139 122 I CB 0.247 38.245 38.000 -0.003 0.000 1.056 122 I HN -0.012 nan 8.210 nan 0.000 0.399 123 S N 2.026 117.686 115.700 -0.067 0.000 2.554 123 S HA 0.486 4.956 4.470 -0.000 0.000 0.290 123 S C 0.600 175.196 174.600 -0.007 0.000 1.309 123 S CA 0.615 58.808 58.200 -0.012 0.000 1.047 123 S CB 0.615 63.789 63.200 -0.043 0.000 0.828 123 S HN 0.885 nan 8.310 nan 0.000 0.509 124 G N 2.113 110.933 108.800 0.032 0.000 2.350 124 G HA2 0.272 4.232 3.960 -0.000 0.000 0.282 124 G HA3 0.272 4.232 3.960 -0.000 0.000 0.282 124 G C -3.658 171.254 174.900 0.020 0.000 1.314 124 G CA -1.132 43.969 45.100 0.002 0.000 0.915 124 G HN 0.460 nan 8.290 nan 0.000 0.499 125 P HA 0.509 nan 4.420 nan 0.000 0.271 125 P C 0.480 177.776 177.300 -0.007 0.000 1.220 125 P CA 1.162 64.262 63.100 -0.001 0.000 0.768 125 P CB 1.310 32.990 31.700 -0.033 0.000 0.848 126 G N 0.777 109.588 108.800 0.018 0.000 2.490 126 G HA2 0.714 4.674 3.960 -0.000 0.000 0.308 126 G HA3 0.714 4.674 3.960 -0.000 0.000 0.308 126 G C -2.070 172.559 174.900 -0.451 0.000 1.286 126 G CA -0.063 44.962 45.100 -0.126 0.000 0.825 126 G HN 0.590 nan 8.290 nan 0.000 0.479 127 A N -2.236 120.035 122.820 -0.916 0.000 2.586 127 A HA 1.120 5.440 4.320 -0.000 0.000 0.290 127 A C -0.096 176.638 177.584 -1.416 0.000 1.086 127 A CA 0.408 51.614 52.037 -1.385 0.000 0.665 127 A CB 1.307 19.912 19.000 -0.658 0.000 1.279 127 A HN 2.668 nan 8.150 nan 0.000 0.423 128 G N -1.113 106.836 108.800 -1.419 0.000 2.317 128 G HA2 0.576 4.536 3.960 -0.000 0.000 0.293 128 G HA3 0.576 4.536 3.960 -0.000 0.000 0.293 128 G C -1.908 172.742 174.900 -0.417 0.000 1.287 128 G CA 0.130 44.819 45.100 -0.685 0.000 0.850 128 G HN 1.857 nan 8.290 nan 0.000 0.515 129 I N 0.834 121.369 120.570 -0.058 0.000 2.548 129 I HA 0.586 4.756 4.170 -0.000 0.000 0.287 129 I C -0.448 175.756 176.117 0.144 0.000 1.103 129 I CA -0.738 60.588 61.300 0.043 0.000 1.049 129 I CB 1.657 39.627 38.000 -0.050 0.000 1.232 129 I HN 0.826 nan 8.210 nan 0.000 0.429 130 E N 5.840 126.160 120.200 0.200 0.000 2.281 130 E HA 0.477 4.827 4.350 -0.000 0.000 0.262 130 E C -0.623 176.005 176.600 0.048 0.000 0.933 130 E CA -0.875 55.619 56.400 0.157 0.000 0.809 130 E CB 0.969 30.796 29.700 0.211 0.000 1.242 130 E HN 0.593 nan 8.360 nan 0.000 0.418 131 N N 0.349 119.057 118.700 0.014 0.000 2.738 131 N HA -0.166 4.574 4.740 -0.000 0.000 0.249 131 N C -0.886 174.596 175.510 -0.047 0.000 1.047 131 N CA 0.715 53.747 53.050 -0.030 0.000 0.707 131 N CB -1.460 36.997 38.487 -0.049 0.000 0.937 131 N HN 0.573 nan 8.380 nan 0.000 0.545 132 I N 0.498 121.042 120.570 -0.043 0.000 2.379 132 I HA 0.016 4.186 4.170 -0.000 0.000 0.290 132 I C 0.862 176.930 176.117 -0.080 0.000 1.063 132 I CA -0.232 61.029 61.300 -0.065 0.000 1.351 132 I CB 0.495 38.464 38.000 -0.050 0.000 1.410 132 I HN -0.031 nan 8.210 nan 0.000 0.505 133 D N 7.228 127.577 120.400 -0.086 0.000 2.339 133 D HA 0.130 4.770 4.640 -0.000 0.000 0.256 133 D C 0.505 176.721 176.300 -0.139 0.000 1.214 133 D CA 0.231 54.167 54.000 -0.106 0.000 0.877 133 D CB 1.097 41.851 40.800 -0.077 0.000 1.111 133 D HN 0.433 nan 8.370 nan 0.000 0.478 134 L N 2.969 124.036 121.223 -0.261 0.000 2.728 134 L HA 0.239 4.579 4.340 -0.000 0.000 0.238 134 L C 1.809 178.410 176.870 -0.448 0.000 1.143 134 L CA 0.219 54.811 54.840 -0.414 0.000 0.937 134 L CB -0.011 41.593 42.059 -0.758 0.000 1.225 134 L HN 0.747 nan 8.230 nan 0.000 0.507 135 G N 1.869 110.521 108.800 -0.245 0.000 3.909 135 G HA2 -0.428 3.532 3.960 -0.000 0.000 0.218 135 G HA3 -0.428 3.532 3.960 -0.000 0.000 0.218 135 G C 0.636 175.513 174.900 -0.039 0.000 1.404 135 G CA 0.684 45.738 45.100 -0.078 0.000 0.905 135 G HN 0.367 nan 8.290 nan 0.000 0.589 136 F N 1.826 121.795 119.950 0.032 0.000 2.797 136 F HA 0.598 5.125 4.527 0.000 0.000 0.302 136 F C 1.035 176.857 175.800 0.037 0.000 1.130 136 F CA 0.283 58.303 58.000 0.034 0.000 1.387 136 F CB -0.043 38.979 39.000 0.037 0.000 1.107 136 F HN 0.937 nan 8.300 nan 0.000 0.577 137 G N 0.121 108.719 108.800 -0.337 0.000 2.441 137 G HA2 0.392 4.352 3.960 -0.000 0.000 0.294 137 G HA3 0.392 4.352 3.960 -0.000 0.000 0.294 137 G C -1.946 172.820 174.900 -0.223 0.000 1.393 137 G CA -1.279 43.716 45.100 -0.175 0.000 0.796 137 G HN -0.070 nan 8.290 nan 0.000 0.494 138 K N 0.080 120.416 120.400 -0.106 0.000 2.292 138 K HA 0.590 4.910 4.320 -0.000 0.000 0.257 138 K C -1.249 175.325 176.600 -0.043 0.000 0.940 138 K CA -0.745 55.490 56.287 -0.087 0.000 0.811 138 K CB 2.488 34.953 32.500 -0.060 0.000 1.120 138 K HN 0.413 nan 8.250 nan 0.000 0.428 139 L N 1.320 122.519 121.223 -0.040 0.000 2.307 139 L HA 0.417 4.757 4.340 -0.000 0.000 0.284 139 L C -0.793 176.103 176.870 0.043 0.000 1.023 139 L CA 0.173 55.023 54.840 0.016 0.000 0.810 139 L CB 1.664 43.730 42.059 0.012 0.000 1.231 139 L HN 0.488 nan 8.230 nan 0.000 0.423 140 S N 5.463 121.217 115.700 0.090 0.000 2.538 140 S HA 0.771 5.241 4.470 -0.000 0.000 0.288 140 S C -0.987 173.710 174.600 0.162 0.000 1.108 140 S CA -0.584 57.698 58.200 0.137 0.000 0.971 140 S CB 1.496 64.804 63.200 0.180 0.000 1.041 140 S HN 0.533 nan 8.310 nan 0.000 0.483 141 L N 2.042 123.350 121.223 0.142 0.000 2.386 141 L HA 0.965 5.305 4.340 -0.000 0.000 0.271 141 L C -0.268 176.631 176.870 0.047 0.000 0.993 141 L CA -0.680 54.223 54.840 0.106 0.000 0.819 141 L CB 1.861 43.962 42.059 0.069 0.000 1.294 141 L HN 0.794 nan 8.230 nan 0.000 0.414 142 A N 2.148 124.969 122.820 0.002 0.000 2.612 142 A HA 0.953 5.273 4.320 -0.000 0.000 0.293 142 A C -1.648 175.862 177.584 -0.123 0.000 1.075 142 A CA -0.385 51.562 52.037 -0.151 0.000 0.680 142 A CB 1.989 20.765 19.000 -0.374 0.000 1.279 142 A HN 0.792 nan 8.150 nan 0.000 0.411 143 A N 0.686 123.377 122.820 -0.214 0.000 2.381 143 A HA 0.884 5.204 4.320 -0.000 0.000 0.299 143 A C -0.166 177.256 177.584 -0.271 0.000 1.049 143 A CA 0.197 52.089 52.037 -0.242 0.000 0.715 143 A CB 1.028 19.932 19.000 -0.160 0.000 1.222 143 A HN 2.156 nan 8.150 nan 0.000 0.428 144 T N -0.439 113.947 114.554 -0.279 0.000 2.888 144 T HA 0.845 5.195 4.350 -0.000 0.000 0.288 144 T C -0.336 174.224 174.700 -0.234 0.000 1.063 144 T CA -0.832 61.152 62.100 -0.194 0.000 1.010 144 T CB 1.745 70.547 68.868 -0.110 0.000 1.214 144 T HN 0.931 nan 8.240 nan 0.000 0.533 145 R N -0.043 120.356 120.500 -0.168 0.000 2.795 145 R HA 0.730 5.070 4.340 -0.000 0.000 0.275 145 R C -1.209 175.011 176.300 -0.133 0.000 0.981 145 R CA -0.502 55.496 56.100 -0.170 0.000 0.917 145 R CB 1.959 32.171 30.300 -0.146 0.000 1.202 145 R HN 1.080 nan 8.270 nan 0.000 0.469 146 S N 0.431 116.048 115.700 -0.139 0.000 2.588 146 S HA 0.630 5.100 4.470 -0.000 0.000 0.275 146 S C -0.998 173.530 174.600 -0.119 0.000 1.130 146 S CA -0.600 57.530 58.200 -0.117 0.000 0.855 146 S CB 1.963 65.091 63.200 -0.118 0.000 1.116 146 S HN 0.757 nan 8.310 nan 0.000 0.472 147 T N -0.976 113.514 114.554 -0.106 0.000 2.912 147 T HA 0.674 5.024 4.350 -0.000 0.000 0.299 147 T C -1.076 173.561 174.700 -0.106 0.000 1.052 147 T CA -0.709 61.323 62.100 -0.112 0.000 0.996 147 T CB 1.606 70.406 68.868 -0.112 0.000 1.070 147 T HN 0.722 nan 8.240 nan 0.000 0.465 148 E N 0.994 121.125 120.200 -0.115 0.000 2.227 148 E HA 0.617 4.967 4.350 -0.000 0.000 0.268 148 E C -0.273 176.257 176.600 -0.115 0.000 0.990 148 E CA -1.316 55.020 56.400 -0.107 0.000 0.856 148 E CB 1.713 31.349 29.700 -0.107 0.000 1.159 148 E HN 0.913 nan 8.360 nan 0.000 0.401 149 A N 1.879 124.640 122.820 -0.099 0.000 2.409 149 A HA 0.535 4.855 4.320 -0.000 0.000 0.267 149 A C 0.769 178.278 177.584 -0.125 0.000 1.127 149 A CA 0.594 52.572 52.037 -0.100 0.000 0.795 149 A CB -0.456 18.503 19.000 -0.069 0.000 1.061 149 A HN 0.755 nan 8.150 nan 0.000 0.502 150 G N 1.945 110.642 108.800 -0.172 0.000 2.575 150 G HA2 0.244 4.204 3.960 -0.000 0.000 0.267 150 G HA3 0.244 4.204 3.960 -0.000 0.000 0.267 150 G C 1.379 176.072 174.900 -0.344 0.000 1.264 150 G CA 1.024 45.966 45.100 -0.264 0.000 0.935 150 G HN 2.746 nan 8.290 nan 0.000 0.568 151 G N -2.786 105.708 108.800 -0.509 0.000 2.268 151 G HA2 0.005 3.965 3.960 -0.000 0.000 0.240 151 G HA3 0.005 3.965 3.960 -0.000 0.000 0.240 151 G C 0.537 175.076 174.900 -0.601 0.000 1.010 151 G CA 1.147 45.994 45.100 -0.422 0.000 0.618 151 G HN 2.059 nan 8.290 nan 0.000 0.516 152 S N 0.594 115.855 115.700 -0.732 0.000 2.456 152 S HA 0.758 5.228 4.470 -0.000 0.000 0.316 152 S C -0.946 173.300 174.600 -0.590 0.000 1.089 152 S CA -0.474 57.433 58.200 -0.488 0.000 1.101 152 S CB 0.977 63.975 63.200 -0.338 0.000 0.995 152 S HN 0.398 nan 8.310 nan 0.000 0.468 153 Y N 0.350 120.508 120.300 -0.237 0.000 2.499 153 Y HA 0.443 4.993 4.550 -0.000 0.000 0.347 153 Y C 0.687 176.201 175.900 -0.643 0.000 0.987 153 Y CA -1.282 56.465 58.100 -0.588 0.000 1.044 153 Y CB 1.314 38.970 38.460 -1.340 0.000 1.245 153 Y HN 0.506 nan 8.280 nan 0.000 0.461 154 T N 0.057 114.337 114.554 -0.457 0.000 3.005 154 T HA 0.424 4.774 4.350 -0.000 0.000 0.323 154 T C -0.710 173.869 174.700 -0.202 0.000 1.131 154 T CA -0.605 61.212 62.100 -0.470 0.000 0.977 154 T CB -1.015 67.511 68.868 -0.570 0.000 1.055 154 T HN 0.201 nan 8.240 nan 0.000 0.562 155 F N 2.673 122.646 119.950 0.039 0.000 2.504 155 F HA 0.258 4.785 4.527 0.000 0.000 0.369 155 F C 1.876 177.677 175.800 0.001 0.000 1.082 155 F CA -0.644 57.388 58.000 0.053 0.000 1.216 155 F CB 0.819 39.847 39.000 0.046 0.000 1.108 155 F HN 0.669 nan 8.300 nan 0.000 0.554 156 S N 0.409 116.225 115.700 0.193 0.000 2.387 156 S HA 0.138 4.608 4.470 -0.000 0.000 0.221 156 S C 0.588 175.227 174.600 0.065 0.000 1.041 156 S CA 0.404 58.650 58.200 0.075 0.000 0.959 156 S CB 0.140 63.347 63.200 0.013 0.000 0.843 156 S HN 0.492 nan 8.310 nan 0.000 0.488 157 S N -0.269 115.469 115.700 0.065 0.000 2.562 157 S HA 0.484 4.954 4.470 -0.000 0.000 0.274 157 S C -0.745 173.854 174.600 -0.001 0.000 1.160 157 S CA -0.444 57.769 58.200 0.022 0.000 0.933 157 S CB 0.993 64.198 63.200 0.007 0.000 1.100 157 S HN 0.576 nan 8.310 nan 0.000 0.468 158 Q N 1.957 121.726 119.800 -0.052 0.000 1.675 158 Q HA -0.265 4.075 4.340 -0.000 0.000 0.365 158 Q C -0.141 175.703 176.000 -0.260 0.000 0.856 158 Q CA 1.795 57.533 55.803 -0.109 0.000 0.832 158 Q CB -1.107 27.613 28.738 -0.030 0.000 3.604 158 Q HN 0.923 nan 8.270 nan 0.000 0.678 159 N N 1.137 119.736 118.700 -0.167 0.000 2.273 159 N HA 0.255 4.995 4.740 -0.000 0.000 0.231 159 N C -0.496 175.110 175.510 0.161 0.000 1.134 159 N CA 0.152 53.069 53.050 -0.223 0.000 0.856 159 N CB 0.208 38.633 38.487 -0.103 0.000 1.068 159 N HN 0.359 nan 8.380 nan 0.000 0.510 160 I N 1.582 122.231 120.570 0.131 0.000 2.353 160 I HA 0.292 4.462 4.170 -0.000 0.000 0.293 160 I C -0.531 175.694 176.117 0.179 0.000 0.992 160 I CA -1.249 60.028 61.300 -0.039 0.000 1.268 160 I CB 0.597 38.487 38.000 -0.184 0.000 1.387 160 I HN 0.074 nan 8.210 nan 0.000 0.478 161 Y N 2.950 123.246 120.300 -0.006 0.000 2.570 161 Y HA 0.533 5.083 4.550 -0.000 0.000 0.345 161 Y C -0.140 175.701 175.900 -0.099 0.000 1.014 161 Y CA -1.155 56.917 58.100 -0.046 0.000 1.063 161 Y CB 0.836 39.171 38.460 -0.208 0.000 1.272 161 Y HN 0.416 nan 8.280 nan 0.000 0.477 162 D N 0.768 121.199 120.400 0.053 0.000 2.269 162 D HA 0.071 4.711 4.640 -0.000 0.000 0.220 162 D C -0.463 175.912 176.300 0.126 0.000 0.962 162 D CA 1.043 55.036 54.000 -0.012 0.000 0.884 162 D CB 0.449 41.228 40.800 -0.035 0.000 1.023 162 D HN 0.758 nan 8.370 nan 0.000 0.484 163 E N -0.065 120.269 120.200 0.224 0.000 2.369 163 E HA 0.505 4.855 4.350 -0.000 0.000 0.270 163 E C -0.891 175.850 176.600 0.236 0.000 0.909 163 E CA -0.763 55.783 56.400 0.243 0.000 0.775 163 E CB 3.221 33.008 29.700 0.144 0.000 1.270 163 E HN -0.228 nan 8.360 nan 0.000 0.445 164 V N 0.335 120.341 119.914 0.153 0.000 3.103 164 V HA 0.684 4.804 4.120 -0.000 0.000 0.318 164 V C -0.302 175.742 176.094 -0.083 0.000 1.114 164 V CA -0.863 61.365 62.300 -0.120 0.000 1.020 164 V CB 1.824 33.545 31.823 -0.169 0.000 1.085 164 V HN 0.597 nan 8.190 nan 0.000 0.446 165 K N -0.220 119.998 120.400 -0.303 0.000 2.597 165 K HA 0.332 4.652 4.320 -0.000 0.000 0.282 165 K C -1.909 174.478 176.600 -0.355 0.000 0.975 165 K CA -0.755 55.315 56.287 -0.361 0.000 0.867 165 K CB 2.294 34.365 32.500 -0.715 0.000 1.465 165 K HN 0.822 nan 8.250 nan 0.000 0.417 166 D N 1.439 121.672 120.400 -0.279 0.000 2.345 166 D HA 0.142 4.782 4.640 -0.000 0.000 0.247 166 D C -0.640 175.512 176.300 -0.248 0.000 1.108 166 D CA 0.400 54.262 54.000 -0.230 0.000 0.894 166 D CB 1.408 42.106 40.800 -0.170 0.000 1.203 166 D HN 0.318 nan 8.370 nan 0.000 0.430 167 T N 1.163 115.589 114.554 -0.214 0.000 2.749 167 T HA 0.525 4.875 4.350 -0.000 0.000 0.287 167 T C 0.167 174.774 174.700 -0.155 0.000 0.970 167 T CA -0.682 61.303 62.100 -0.192 0.000 0.980 167 T CB 1.199 69.962 68.868 -0.176 0.000 0.924 167 T HN 0.362 nan 8.240 nan 0.000 0.456 168 A N 4.419 127.150 122.820 -0.148 0.000 2.388 168 A HA 0.502 4.822 4.320 -0.000 0.000 0.257 168 A C 0.274 177.779 177.584 -0.132 0.000 1.095 168 A CA -0.638 51.319 52.037 -0.133 0.000 0.791 168 A CB 0.246 19.171 19.000 -0.124 0.000 1.029 168 A HN 0.835 nan 8.150 nan 0.000 0.489 169 N N 2.075 120.687 118.700 -0.147 0.000 2.399 169 N HA 0.258 4.998 4.740 -0.000 0.000 0.280 169 N C -1.690 173.687 175.510 -0.222 0.000 1.008 169 N CA -0.544 52.404 53.050 -0.171 0.000 0.894 169 N CB 1.822 40.208 38.487 -0.168 0.000 1.273 169 N HN 0.597 nan 8.380 nan 0.000 0.486 170 D N 1.290 121.528 120.400 -0.270 0.000 2.175 170 D HA 0.398 5.037 4.640 -0.000 0.000 0.248 170 D C -0.226 175.683 176.300 -0.652 0.000 1.047 170 D CA -0.191 53.535 54.000 -0.458 0.000 0.883 170 D CB 2.475 43.003 40.800 -0.453 0.000 1.180 170 D HN 0.040 nan 8.370 nan 0.000 0.438 171 V N 2.067 121.519 119.914 -0.770 0.000 2.656 171 V HA 0.464 4.584 4.120 -0.000 0.000 0.307 171 V C -0.788 174.814 176.094 -0.819 0.000 1.051 171 V CA -0.837 61.082 62.300 -0.634 0.000 0.893 171 V CB 1.415 33.044 31.823 -0.323 0.000 0.999 171 V HN 0.323 nan 8.190 nan 0.000 0.426 172 F N 2.396 122.299 119.950 -0.078 0.000 2.460 172 F HA 0.477 5.004 4.527 -0.000 0.000 0.341 172 F C 0.114 175.923 175.800 0.015 0.000 1.130 172 F CA -0.543 57.443 58.000 -0.022 0.000 0.962 172 F CB 1.417 40.428 39.000 0.018 0.000 1.171 172 F HN 0.461 nan 8.300 nan 0.000 0.436 173 D N 3.333 123.823 120.400 0.149 0.000 2.278 173 D HA 0.577 5.217 4.640 -0.000 0.000 0.245 173 D C -1.475 174.947 176.300 0.203 0.000 1.052 173 D CA -0.257 53.849 54.000 0.176 0.000 0.834 173 D CB 2.359 43.243 40.800 0.140 0.000 1.194 173 D HN 0.320 nan 8.370 nan 0.000 0.481 174 V N 4.323 124.384 119.914 0.245 0.000 2.577 174 V HA 0.534 4.654 4.120 -0.000 0.000 0.303 174 V C -0.261 175.998 176.094 0.275 0.000 1.042 174 V CA -0.724 61.716 62.300 0.233 0.000 0.872 174 V CB 1.999 33.955 31.823 0.221 0.000 0.998 174 V HN 0.514 nan 8.190 nan 0.000 0.423 175 R N 3.281 123.924 120.500 0.237 0.000 2.673 175 R HA 0.764 5.104 4.340 -0.000 0.000 0.281 175 R C -1.747 174.665 176.300 0.188 0.000 0.991 175 R CA -0.746 55.505 56.100 0.252 0.000 0.896 175 R CB 2.382 32.795 30.300 0.188 0.000 1.201 175 R HN 0.531 nan 8.270 nan 0.000 0.457 176 L N 2.049 123.393 121.223 0.201 0.000 2.372 176 L HA 0.830 5.170 4.340 -0.000 0.000 0.274 176 L C -1.311 175.652 176.870 0.156 0.000 0.988 176 L CA -0.181 54.753 54.840 0.157 0.000 0.833 176 L CB 1.643 43.815 42.059 0.187 0.000 1.236 176 L HN 0.826 nan 8.230 nan 0.000 0.410 177 A N 2.930 125.811 122.820 0.101 0.000 2.435 177 A HA 0.800 5.120 4.320 -0.000 0.000 0.296 177 A C 0.668 178.288 177.584 0.060 0.000 1.147 177 A CA -0.159 51.934 52.037 0.094 0.000 0.775 177 A CB 1.253 20.294 19.000 0.068 0.000 1.340 177 A HN 1.852 nan 8.150 nan 0.000 0.427 178 G N -0.808 108.025 108.800 0.055 0.000 2.160 178 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.244 178 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.244 178 G C -0.104 174.843 174.900 0.078 0.000 1.022 178 G CA 0.290 45.413 45.100 0.038 0.000 0.741 178 G HN 0.861 nan 8.290 nan 0.000 0.508 179 L N 0.374 121.668 121.223 0.117 0.000 2.385 179 L HA 0.319 4.659 4.340 -0.000 0.000 0.281 179 L C 0.944 177.889 176.870 0.125 0.000 1.106 179 L CA -0.464 54.470 54.840 0.157 0.000 0.856 179 L CB 1.095 43.263 42.059 0.181 0.000 1.186 179 L HN 0.192 nan 8.230 nan 0.000 0.453 180 Q N 1.847 121.715 119.800 0.114 0.000 2.381 180 Q HA 0.035 4.375 4.340 -0.000 0.000 0.243 180 Q C 1.073 177.136 176.000 0.104 0.000 1.154 180 Q CA 0.056 55.915 55.803 0.093 0.000 0.899 180 Q CB 0.751 29.535 28.738 0.077 0.000 1.396 180 Q HN 0.708 nan 8.270 nan 0.000 0.485 181 T N 0.015 114.648 114.554 0.132 0.000 3.031 181 T HA 0.115 4.465 4.350 -0.000 0.000 0.254 181 T C 0.510 175.278 174.700 0.112 0.000 1.060 181 T CA 0.405 62.586 62.100 0.134 0.000 1.135 181 T CB 0.029 69.011 68.868 0.191 0.000 0.896 181 T HN 0.622 nan 8.240 nan 0.000 0.472 182 N N 0.333 119.112 118.700 0.131 0.000 2.927 182 N HA 0.278 5.018 4.740 -0.000 0.000 0.248 182 N C -3.653 171.911 175.510 0.091 0.000 1.443 182 N CA -1.734 51.375 53.050 0.099 0.000 0.870 182 N CB 0.846 39.395 38.487 0.104 0.000 1.444 182 N HN -0.092 nan 8.380 nan 0.000 0.519 183 P HA 0.129 nan 4.420 nan 0.000 0.263 183 P C -0.544 176.795 177.300 0.064 0.000 1.195 183 P CA 0.710 63.844 63.100 0.056 0.000 0.762 183 P CB 0.045 31.771 31.700 0.044 0.000 0.799 184 D N 0.443 120.873 120.400 0.051 0.000 3.059 184 D HA -0.138 4.502 4.640 -0.000 0.000 0.220 184 D C 0.657 176.982 176.300 0.042 0.000 1.169 184 D CA 1.799 55.825 54.000 0.045 0.000 0.902 184 D CB -1.539 39.292 40.800 0.052 0.000 1.116 184 D HN 0.643 nan 8.370 nan 0.000 0.417 185 G N -0.665 108.170 108.800 0.058 0.000 2.495 185 G HA2 0.633 4.593 3.960 -0.000 0.000 0.318 185 G HA3 0.633 4.593 3.960 -0.000 0.000 0.318 185 G C -0.648 174.229 174.900 -0.038 0.000 1.257 185 G CA -0.379 44.735 45.100 0.023 0.000 0.962 185 G HN 0.120 nan 8.290 nan 0.000 0.483 186 V N 1.547 121.307 119.914 -0.258 0.000 3.049 186 V HA 0.653 4.773 4.120 -0.000 0.000 0.309 186 V C -1.105 174.935 176.094 -0.091 0.000 1.148 186 V CA -0.773 61.471 62.300 -0.095 0.000 0.990 186 V CB 2.200 33.982 31.823 -0.068 0.000 1.039 186 V HN 0.794 nan 8.190 nan 0.000 0.430 187 L N 2.913 124.190 121.223 0.091 0.000 2.386 187 L HA 0.737 5.077 4.340 -0.000 0.000 0.271 187 L C -0.639 176.330 176.870 0.165 0.000 0.993 187 L CA 0.090 55.036 54.840 0.177 0.000 0.819 187 L CB 1.966 44.175 42.059 0.250 0.000 1.294 187 L HN 0.832 nan 8.230 nan 0.000 0.414 188 E N 3.921 124.238 120.200 0.195 0.000 2.234 188 E HA 0.550 4.900 4.350 -0.000 0.000 0.266 188 E C -1.894 174.850 176.600 0.241 0.000 0.877 188 E CA -0.736 55.799 56.400 0.225 0.000 0.758 188 E CB 1.464 31.330 29.700 0.277 0.000 1.170 188 E HN 0.515 nan 8.360 nan 0.000 0.415 189 L N 2.755 124.123 121.223 0.241 0.000 2.334 189 L HA 0.791 5.131 4.340 -0.000 0.000 0.276 189 L C 0.185 177.230 176.870 0.293 0.000 1.014 189 L CA -0.464 54.509 54.840 0.221 0.000 0.815 189 L CB 1.772 43.952 42.059 0.201 0.000 1.268 189 L HN 0.696 nan 8.230 nan 0.000 0.428 190 G N 1.434 110.381 108.800 0.245 0.000 2.719 190 G HA2 0.647 4.607 3.960 -0.000 0.000 0.298 190 G HA3 0.647 4.607 3.960 -0.000 0.000 0.298 190 G C -2.003 173.048 174.900 0.253 0.000 1.411 190 G CA -0.368 44.953 45.100 0.369 0.000 0.991 190 G HN 0.312 nan 8.290 nan 0.000 0.509 191 V N 1.363 121.459 119.914 0.302 0.000 2.735 191 V HA 0.618 4.738 4.120 -0.000 0.000 0.310 191 V C -1.191 175.024 176.094 0.202 0.000 1.061 191 V CA -0.876 61.566 62.300 0.237 0.000 0.913 191 V CB 2.259 34.305 31.823 0.371 0.000 1.005 191 V HN 0.723 nan 8.190 nan 0.000 0.428 192 D N 2.251 122.686 120.400 0.059 0.000 2.863 192 D HA 0.341 4.981 4.640 -0.000 0.000 0.245 192 D C -1.776 174.450 176.300 -0.122 0.000 1.211 192 D CA -0.217 53.801 54.000 0.030 0.000 0.888 192 D CB 2.784 43.596 40.800 0.021 0.000 1.483 192 D HN 0.551 nan 8.370 nan 0.000 0.533 193 Y N 1.229 121.351 120.300 -0.297 0.000 2.331 193 Y HA 0.545 5.095 4.550 -0.000 0.000 0.334 193 Y C -0.480 175.255 175.900 -0.276 0.000 0.960 193 Y CA -0.621 57.101 58.100 -0.631 0.000 1.130 193 Y CB 1.636 39.533 38.460 -0.939 0.000 1.164 193 Y HN 0.384 nan 8.280 nan 0.000 0.458 194 G N 6.023 114.205 108.800 -1.030 0.000 2.482 194 G HA2 0.737 4.697 3.960 -0.000 0.000 0.317 194 G HA3 0.737 4.697 3.960 -0.000 0.000 0.317 194 G C -1.752 172.660 174.900 -0.813 0.000 1.241 194 G CA -1.305 43.352 45.100 -0.739 0.000 0.967 194 G HN 0.840 nan 8.290 nan 0.000 0.482 195 R N -0.012 120.201 120.500 -0.479 0.000 2.643 195 R HA 0.727 5.067 4.340 -0.000 0.000 0.269 195 R C -0.603 175.604 176.300 -0.155 0.000 1.037 195 R CA -0.933 54.995 56.100 -0.286 0.000 0.894 195 R CB 1.402 31.605 30.300 -0.163 0.000 1.238 195 R HN 0.782 nan 8.270 nan 0.000 0.459 196 A N 1.805 124.561 122.820 -0.106 0.000 2.440 196 A HA 0.244 4.564 4.320 -0.000 0.000 0.251 196 A C -0.444 177.111 177.584 -0.049 0.000 1.089 196 A CA -0.346 51.640 52.037 -0.085 0.000 0.779 196 A CB 0.207 19.167 19.000 -0.067 0.000 1.022 196 A HN 0.711 nan 8.150 nan 0.000 0.492 197 N N 1.677 120.343 118.700 -0.057 0.000 2.696 197 N HA 0.277 5.017 4.740 -0.000 0.000 0.246 197 N C -0.317 175.164 175.510 -0.047 0.000 1.057 197 N CA -0.088 52.944 53.050 -0.029 0.000 0.867 197 N CB 0.798 39.273 38.487 -0.021 0.000 1.141 197 N HN 0.690 nan 8.380 nan 0.000 0.517 198 T N 0.001 114.538 114.554 -0.029 0.000 2.913 198 T HA 0.295 4.645 4.350 -0.000 0.000 0.297 198 T C 0.559 175.247 174.700 -0.021 0.000 1.029 198 T CA -0.358 61.719 62.100 -0.037 0.000 1.104 198 T CB 0.544 69.420 68.868 0.013 0.000 0.964 198 T HN 0.301 nan 8.240 nan 0.000 0.532 199 T N 2.338 116.856 114.554 -0.059 0.000 2.898 199 T HA 0.160 4.510 4.350 -0.000 0.000 0.301 199 T C 0.308 175.079 174.700 0.118 0.000 1.049 199 T CA -0.384 61.707 62.100 -0.016 0.000 1.095 199 T CB 0.454 69.245 68.868 -0.129 0.000 0.976 199 T HN 0.781 nan 8.240 nan 0.000 0.539 200 D N 0.026 120.488 120.400 0.104 0.000 2.458 200 D HA 0.349 4.989 4.640 -0.000 0.000 0.243 200 D C 1.337 177.727 176.300 0.150 0.000 1.146 200 D CA 1.687 55.749 54.000 0.104 0.000 0.877 200 D CB -0.006 40.831 40.800 0.062 0.000 1.176 200 D HN 0.744 nan 8.370 nan 0.000 0.461 201 G N 2.185 111.036 108.800 0.085 0.000 2.284 201 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.230 201 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.230 201 G C 0.017 174.849 174.900 -0.113 0.000 1.021 201 G CA 0.146 45.231 45.100 -0.024 0.000 0.619 201 G HN 0.495 nan 8.290 nan 0.000 0.510 202 Y N 1.229 121.509 120.300 -0.033 0.000 2.335 202 Y HA 0.724 5.274 4.550 -0.000 0.000 0.323 202 Y C 0.865 176.750 175.900 -0.024 0.000 1.224 202 Y CA -0.201 57.856 58.100 -0.072 0.000 1.241 202 Y CB 1.310 39.696 38.460 -0.123 0.000 1.235 202 Y HN 0.125 nan 8.280 nan 0.000 0.492 203 K N 1.686 122.170 120.400 0.139 0.000 2.512 203 K HA 0.537 4.857 4.320 -0.000 0.000 0.263 203 K C -1.543 175.198 176.600 0.234 0.000 0.966 203 K CA -0.917 55.487 56.287 0.195 0.000 0.851 203 K CB 2.324 35.008 32.500 0.307 0.000 1.395 203 K HN 0.441 nan 8.250 nan 0.000 0.440 204 L N 1.783 123.146 121.223 0.232 0.000 2.418 204 L HA 0.393 4.733 4.340 -0.000 0.000 0.265 204 L C 0.627 177.753 176.870 0.428 0.000 1.143 204 L CA -0.552 54.438 54.840 0.250 0.000 0.809 204 L CB 0.923 43.063 42.059 0.135 0.000 1.124 204 L HN 0.749 nan 8.230 nan 0.000 0.456 205 A N 1.256 124.371 122.820 0.491 0.000 2.429 205 A HA 0.063 4.383 4.320 -0.000 0.000 0.242 205 A C -0.127 177.568 177.584 0.185 0.000 1.088 205 A CA -0.400 51.876 52.037 0.398 0.000 0.784 205 A CB 0.017 19.197 19.000 0.299 0.000 1.038 205 A HN 0.715 nan 8.150 nan 0.000 0.501 206 D N -0.268 120.172 120.400 0.066 0.000 2.458 206 D HA 0.393 5.033 4.640 -0.000 0.000 0.243 206 D C 1.283 177.607 176.300 0.039 0.000 1.146 206 D CA 1.996 56.012 54.000 0.027 0.000 0.877 206 D CB 0.789 41.573 40.800 -0.026 0.000 1.176 206 D HN 1.063 nan 8.370 nan 0.000 0.461 207 G N 1.729 110.551 108.800 0.036 0.000 2.213 207 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.226 207 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.226 207 G C 0.533 175.445 174.900 0.021 0.000 0.992 207 G CA 0.217 45.332 45.100 0.025 0.000 0.632 207 G HN 0.872 nan 8.290 nan 0.000 0.511 208 A N 0.902 123.745 122.820 0.039 0.000 2.565 208 A HA 0.565 4.885 4.320 -0.000 0.000 0.237 208 A C 1.823 179.416 177.584 0.015 0.000 1.053 208 A CA 1.451 53.503 52.037 0.025 0.000 0.755 208 A CB 0.233 19.263 19.000 0.050 0.000 0.980 208 A HN 1.722 nan 8.150 nan 0.000 0.506 209 S N 1.977 117.673 115.700 -0.008 0.000 2.402 209 S HA -0.159 4.311 4.470 -0.000 0.000 0.229 209 S C 1.506 176.114 174.600 0.013 0.000 1.021 209 S CA 1.278 59.480 58.200 0.003 0.000 0.974 209 S CB -0.413 62.779 63.200 -0.014 0.000 0.800 209 S HN 1.204 nan 8.310 nan 0.000 0.484 210 K N 0.894 121.291 120.400 -0.004 0.000 6.035 210 K HA -0.324 3.996 4.320 -0.000 0.000 0.451 210 K C -0.521 176.052 176.600 -0.044 0.000 0.399 210 K CA 2.192 58.474 56.287 -0.008 0.000 1.899 210 K CB -1.973 30.544 32.500 0.028 0.000 0.814 210 K HN 0.724 nan 8.250 nan 0.000 0.694 211 D N -1.221 119.160 120.400 -0.031 0.000 2.664 211 D HA 0.687 5.327 4.640 -0.000 0.000 0.292 211 D C 0.007 176.259 176.300 -0.080 0.000 1.214 211 D CA 0.121 54.050 54.000 -0.118 0.000 0.932 211 D CB 1.445 42.205 40.800 -0.068 0.000 1.420 211 D HN 0.444 nan 8.370 nan 0.000 0.471 212 G N -2.107 106.566 108.800 -0.211 0.000 2.441 212 G HA2 0.485 4.445 3.960 -0.000 0.000 0.294 212 G HA3 0.485 4.445 3.960 -0.000 0.000 0.294 212 G C -2.292 172.478 174.900 -0.216 0.000 1.393 212 G CA -1.072 43.997 45.100 -0.053 0.000 0.796 212 G HN 0.319 nan 8.290 nan 0.000 0.494 213 W N -0.599 120.668 121.300 -0.055 0.000 2.962 213 W HA 0.833 5.493 4.660 -0.000 0.000 0.341 213 W C 0.021 176.302 176.519 -0.397 0.000 1.155 213 W CA -0.789 56.441 57.345 -0.192 0.000 1.165 213 W CB 2.478 31.838 29.460 -0.166 0.000 1.435 213 W HN 0.517 nan 8.180 nan 0.000 0.546 214 M N 2.360 121.735 119.600 -0.376 0.000 2.322 214 M HA 0.499 4.979 4.480 -0.000 0.000 0.286 214 M C -2.256 173.682 176.300 -0.603 0.000 1.111 214 M CA -0.393 54.665 55.300 -0.403 0.000 0.941 214 M CB 1.393 33.850 32.600 -0.239 0.000 1.671 214 M HN 0.367 nan 8.290 nan 0.000 0.470 215 F N 1.784 121.741 119.950 0.011 0.000 2.507 215 F HA 0.655 5.182 4.527 -0.000 0.000 0.325 215 F C -0.082 175.624 175.800 -0.158 0.000 1.116 215 F CA -0.571 57.423 58.000 -0.010 0.000 0.930 215 F CB 2.415 41.445 39.000 0.050 0.000 1.146 215 F HN 0.354 nan 8.300 nan 0.000 0.447 216 T N 2.319 116.797 114.554 -0.127 0.000 2.861 216 T HA 0.793 5.143 4.350 -0.000 0.000 0.287 216 T C -1.033 173.573 174.700 -0.155 0.000 1.003 216 T CA -0.767 61.123 62.100 -0.350 0.000 0.977 216 T CB 1.703 69.902 68.868 -1.115 0.000 0.996 216 T HN 0.728 nan 8.240 nan 0.000 0.448 217 A N 2.747 125.527 122.820 -0.067 0.000 2.353 217 A HA 0.735 5.054 4.320 -0.000 0.000 0.299 217 A C -0.695 176.939 177.584 0.083 0.000 1.089 217 A CA -0.682 51.389 52.037 0.058 0.000 0.736 217 A CB 1.115 20.180 19.000 0.108 0.000 1.195 217 A HN 0.794 nan 8.150 nan 0.000 0.447 218 E N 2.083 122.382 120.200 0.165 0.000 2.218 218 E HA 0.333 4.683 4.350 -0.000 0.000 0.263 218 E C -1.454 175.306 176.600 0.267 0.000 0.879 218 E CA -0.511 56.020 56.400 0.219 0.000 0.762 218 E CB 1.074 30.957 29.700 0.305 0.000 1.166 218 E HN 0.811 nan 8.360 nan 0.000 0.415 219 H N 3.416 122.608 119.070 0.204 0.000 2.459 219 H HA 0.378 4.934 4.556 -0.000 0.000 0.332 219 H C -1.242 174.183 175.328 0.163 0.000 1.094 219 H CA -0.315 55.847 56.048 0.190 0.000 1.224 219 H CB 1.582 31.478 29.762 0.223 0.000 1.449 219 H HN 0.434 nan 8.280 nan 0.000 0.484 220 T N 4.801 119.133 114.554 -0.371 0.000 2.779 220 T HA 0.134 4.484 4.350 -0.000 0.000 0.280 220 T C -0.372 174.156 174.700 -0.286 0.000 0.987 220 T CA -0.682 61.294 62.100 -0.206 0.000 0.966 220 T CB 1.611 70.379 68.868 -0.165 0.000 0.933 220 T HN 0.502 nan 8.240 nan 0.000 0.442 221 Q N 2.073 121.869 119.800 -0.007 0.000 2.325 221 Q HA 0.502 4.842 4.340 -0.000 0.000 0.270 221 Q C -0.985 175.092 176.000 0.128 0.000 1.020 221 Q CA -0.377 55.471 55.803 0.075 0.000 0.785 221 Q CB 1.224 30.085 28.738 0.204 0.000 1.259 221 Q HN 0.602 nan 8.270 nan 0.000 0.452 222 S N 5.257 121.013 115.700 0.094 0.000 2.513 222 S HA 0.818 5.288 4.470 -0.000 0.000 0.276 222 S C -0.266 174.396 174.600 0.102 0.000 1.254 222 S CA -0.424 57.844 58.200 0.113 0.000 1.053 222 S CB 0.084 63.328 63.200 0.074 0.000 0.958 222 S HN 0.708 nan 8.310 nan 0.000 0.491 223 M N 0.438 120.103 119.600 0.109 0.000 2.853 223 M HA 0.404 4.884 4.480 -0.000 0.000 0.273 223 M C -1.428 174.922 176.300 0.082 0.000 1.128 223 M CA -1.138 54.214 55.300 0.086 0.000 0.814 223 M CB 0.413 33.065 32.600 0.087 0.000 1.667 223 M HN 0.167 nan 8.290 nan 0.000 0.519 224 L N 0.715 121.978 121.223 0.067 0.000 3.829 224 L HA -0.232 4.108 4.340 -0.000 0.000 0.440 224 L C 0.376 177.291 176.870 0.074 0.000 1.192 224 L CA 1.590 56.469 54.840 0.064 0.000 0.848 224 L CB -2.355 39.741 42.059 0.063 0.000 1.744 224 L HN 1.040 nan 8.230 nan 0.000 0.920 225 K N -2.119 118.327 120.400 0.076 0.000 3.069 225 K HA -0.190 4.130 4.320 -0.000 0.000 0.267 225 K C 1.026 177.692 176.600 0.110 0.000 1.082 225 K CA 0.913 57.251 56.287 0.086 0.000 0.782 225 K CB -1.376 31.171 32.500 0.079 0.000 1.230 225 K HN 0.846 nan 8.250 nan 0.000 0.488 226 G N -0.563 108.303 108.800 0.110 0.000 2.827 226 G HA2 0.633 4.593 3.960 -0.000 0.000 0.202 226 G HA3 0.633 4.593 3.960 -0.000 0.000 0.202 226 G C -1.479 173.513 174.900 0.154 0.000 1.185 226 G CA -0.133 45.032 45.100 0.109 0.000 0.920 226 G HN 0.302 nan 8.290 nan 0.000 0.550 227 Y N -1.197 119.176 120.300 0.120 0.000 2.725 227 Y HA 0.774 5.324 4.550 -0.000 0.000 0.333 227 Y C -1.367 174.592 175.900 0.099 0.000 1.242 227 Y CA -1.520 56.630 58.100 0.082 0.000 1.059 227 Y CB 1.505 39.983 38.460 0.031 0.000 1.306 227 Y HN 0.650 nan 8.280 nan 0.000 0.454 228 N N 1.345 120.260 118.700 0.359 0.000 2.336 228 N HA 0.347 5.087 4.740 -0.000 0.000 0.290 228 N C -2.174 173.519 175.510 0.305 0.000 1.058 228 N CA -0.640 52.587 53.050 0.295 0.000 0.865 228 N CB 2.418 41.081 38.487 0.294 0.000 1.581 228 N HN 0.831 nan 8.380 nan 0.000 0.480 229 K N 2.439 122.937 120.400 0.162 0.000 2.292 229 K HA 0.381 4.701 4.320 -0.000 0.000 0.257 229 K C -1.388 175.313 176.600 0.168 0.000 0.940 229 K CA -0.633 55.701 56.287 0.079 0.000 0.811 229 K CB 1.915 34.314 32.500 -0.169 0.000 1.120 229 K HN 0.355 nan 8.250 nan 0.000 0.428 230 F N 3.613 123.639 119.950 0.126 0.000 2.449 230 F HA 0.436 4.963 4.527 -0.000 0.000 0.342 230 F C -1.054 174.819 175.800 0.121 0.000 1.127 230 F CA -0.745 57.331 58.000 0.127 0.000 0.975 230 F CB 1.023 40.109 39.000 0.144 0.000 1.146 230 F HN 0.128 nan 8.300 nan 0.000 0.444 231 V N 6.275 125.852 119.914 -0.562 0.000 2.680 231 V HA 0.674 4.794 4.120 -0.000 0.000 0.309 231 V C -0.964 174.819 176.094 -0.517 0.000 1.052 231 V CA -0.914 61.148 62.300 -0.397 0.000 0.908 231 V CB 1.835 33.475 31.823 -0.305 0.000 1.001 231 V HN 0.555 nan 8.190 nan 0.000 0.431 232 V N 4.230 123.992 119.914 -0.254 0.000 2.577 232 V HA 0.563 4.683 4.120 -0.000 0.000 0.303 232 V C -0.644 175.445 176.094 -0.009 0.000 1.042 232 V CA -0.458 61.793 62.300 -0.082 0.000 0.872 232 V CB 1.822 33.678 31.823 0.055 0.000 0.998 232 V HN 0.978 nan 8.190 nan 0.000 0.423 233 Q N 2.924 122.743 119.800 0.032 0.000 2.389 233 Q HA 0.606 4.946 4.340 -0.000 0.000 0.277 233 Q C -1.989 173.980 176.000 -0.050 0.000 1.082 233 Q CA -0.822 54.962 55.803 -0.032 0.000 0.810 233 Q CB 3.467 32.140 28.738 -0.109 0.000 1.374 233 Q HN 0.748 nan 8.270 nan 0.000 0.422 234 Y N 0.771 120.906 120.300 -0.275 0.000 2.354 234 Y HA 0.709 5.259 4.550 -0.000 0.000 0.330 234 Y C -1.699 174.071 175.900 -0.216 0.000 1.011 234 Y CA -0.565 57.223 58.100 -0.520 0.000 1.099 234 Y CB 1.258 39.248 38.460 -0.783 0.000 1.179 234 Y HN 0.726 nan 8.280 nan 0.000 0.442 235 A N 3.763 126.150 122.820 -0.722 0.000 2.354 235 A HA 0.868 5.188 4.320 -0.000 0.000 0.321 235 A C -0.928 176.300 177.584 -0.593 0.000 1.125 235 A CA -0.714 51.033 52.037 -0.484 0.000 0.799 235 A CB 1.706 20.541 19.000 -0.275 0.000 1.293 235 A HN 0.645 nan 8.150 nan 0.000 0.452 236 T N 1.064 115.455 114.554 -0.271 0.000 2.886 236 T HA 0.523 4.873 4.350 -0.000 0.000 0.292 236 T C -0.250 174.455 174.700 0.007 0.000 1.012 236 T CA 0.189 62.213 62.100 -0.127 0.000 0.982 236 T CB 0.869 69.766 68.868 0.049 0.000 1.018 236 T HN 0.828 nan 8.240 nan 0.000 0.451 237 D N 2.116 122.552 120.400 0.060 0.000 3.899 237 D HA -0.330 4.310 4.640 -0.000 0.000 0.146 237 D C 1.803 178.139 176.300 0.060 0.000 0.820 237 D CA 1.947 56.000 54.000 0.088 0.000 1.056 237 D CB -1.226 39.626 40.800 0.087 0.000 0.474 237 D HN 0.710 nan 8.370 nan 0.000 0.457 238 A N -0.022 122.802 122.820 0.006 0.000 2.042 238 A HA -0.215 4.105 4.320 -0.000 0.000 0.222 238 A C 2.065 179.620 177.584 -0.047 0.000 1.167 238 A CA 2.854 54.867 52.037 -0.040 0.000 0.649 238 A CB -0.410 18.533 19.000 -0.094 0.000 0.809 238 A HN 0.443 nan 8.150 nan 0.000 0.457 239 M N 0.162 119.728 119.600 -0.057 0.000 2.618 239 M HA -0.018 4.462 4.480 -0.000 0.000 0.240 239 M C 1.918 178.198 176.300 -0.033 0.000 1.123 239 M CA 1.548 56.802 55.300 -0.076 0.000 1.060 239 M CB -1.387 31.141 32.600 -0.120 0.000 1.535 239 M HN 0.690 nan 8.290 nan 0.000 0.507 240 T N -3.264 111.316 114.554 0.043 0.000 3.014 240 T HA 0.002 4.352 4.350 -0.000 0.000 0.263 240 T C 1.772 176.573 174.700 0.169 0.000 1.078 240 T CA 1.235 63.388 62.100 0.087 0.000 1.135 240 T CB -0.355 68.630 68.868 0.195 0.000 0.895 240 T HN 0.196 nan 8.240 nan 0.000 0.480 241 T N 1.846 116.532 114.554 0.219 0.000 2.639 241 T HA -0.099 4.251 4.350 -0.000 0.000 0.261 241 T C 1.995 176.755 174.700 0.098 0.000 1.053 241 T CA 1.336 63.569 62.100 0.222 0.000 1.158 241 T CB -0.420 68.521 68.868 0.122 0.000 0.863 241 T HN 0.342 nan 8.240 nan 0.000 0.413 242 Q N 0.659 120.478 119.800 0.031 0.000 2.079 242 Q HA -0.050 4.290 4.340 -0.000 0.000 0.200 242 Q C 1.736 177.739 176.000 0.005 0.000 0.974 242 Q CA 1.353 57.153 55.803 -0.004 0.000 0.840 242 Q CB -0.517 28.196 28.738 -0.042 0.000 0.898 242 Q HN 0.720 nan 8.270 nan 0.000 0.430 243 G N 1.120 109.920 108.800 -0.000 0.000 2.179 243 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.257 243 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.257 243 G C 0.430 175.327 174.900 -0.005 0.000 1.010 243 G CA 0.905 46.004 45.100 -0.001 0.000 0.736 243 G HN 0.452 nan 8.290 nan 0.000 0.513 244 K N -1.263 119.125 120.400 -0.020 0.000 2.520 244 K HA 0.475 4.795 4.320 -0.000 0.000 0.206 244 K C 1.524 178.169 176.600 0.076 0.000 1.122 244 K CA 0.276 56.564 56.287 0.002 0.000 1.045 244 K CB 1.348 33.815 32.500 -0.056 0.000 0.932 244 K HN 1.142 nan 8.250 nan 0.000 0.571 245 G N 1.239 110.053 108.800 0.023 0.000 2.296 245 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.188 245 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.188 245 G C -0.237 174.645 174.900 -0.030 0.000 1.000 245 G CA -0.538 44.594 45.100 0.054 0.000 0.672 245 G HN 0.196 nan 8.290 nan 0.000 0.483 246 Q N 0.537 120.300 119.800 -0.062 0.000 2.230 246 Q HA 0.690 5.030 4.340 -0.000 0.000 0.253 246 Q C 0.225 176.152 176.000 -0.122 0.000 0.919 246 Q CA 0.079 55.820 55.803 -0.104 0.000 0.908 246 Q CB 1.825 30.503 28.738 -0.100 0.000 1.245 246 Q HN 0.590 nan 8.270 nan 0.000 0.437 247 A N 2.655 125.379 122.820 -0.161 0.000 2.331 247 A HA 0.430 4.750 4.320 -0.000 0.000 0.283 247 A C -0.272 177.232 177.584 -0.133 0.000 1.142 247 A CA -0.524 51.412 52.037 -0.168 0.000 0.812 247 A CB 0.462 19.319 19.000 -0.238 0.000 1.074 247 A HN 0.621 nan 8.150 nan 0.000 0.497 248 R N 2.905 123.341 120.500 -0.106 0.000 2.835 248 R HA 0.187 4.527 4.340 -0.000 0.000 0.290 248 R C 1.123 177.371 176.300 -0.087 0.000 1.410 248 R CA 0.268 56.315 56.100 -0.089 0.000 1.590 248 R CB 0.480 30.743 30.300 -0.062 0.000 1.288 248 R HN 0.903 nan 8.270 nan 0.000 0.637 249 G N 0.587 109.328 108.800 -0.099 0.000 2.498 249 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.219 249 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.219 249 G C 0.976 175.840 174.900 -0.060 0.000 1.119 249 G CA 0.829 45.880 45.100 -0.082 0.000 0.766 249 G HN 0.438 nan 8.290 nan 0.000 0.552 250 S N -0.441 115.219 115.700 -0.066 0.000 2.602 250 S HA 0.193 4.663 4.470 -0.000 0.000 0.240 250 S C -0.018 174.550 174.600 -0.053 0.000 0.992 250 S CA -0.354 57.818 58.200 -0.047 0.000 0.971 250 S CB 0.372 63.535 63.200 -0.062 0.000 0.855 250 S HN 0.164 nan 8.310 nan 0.000 0.481 251 D N 1.658 122.012 120.400 -0.077 0.000 2.487 251 D HA 0.405 5.045 4.640 -0.000 0.000 0.243 251 D C 1.390 177.623 176.300 -0.110 0.000 1.154 251 D CA 2.098 56.040 54.000 -0.097 0.000 0.876 251 D CB -0.025 40.705 40.800 -0.117 0.000 1.161 251 D HN 0.432 nan 8.370 nan 0.000 0.478 252 G N 2.186 110.929 108.800 -0.094 0.000 2.195 252 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.224 252 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.224 252 G C 0.466 175.360 174.900 -0.009 0.000 0.990 252 G CA 0.154 45.203 45.100 -0.085 0.000 0.639 252 G HN 0.626 nan 8.290 nan 0.000 0.514 253 S N 0.308 116.023 115.700 0.026 0.000 2.584 253 S HA 0.696 5.166 4.470 -0.000 0.000 0.270 253 S C 0.492 175.167 174.600 0.126 0.000 1.346 253 S CA 0.701 58.968 58.200 0.111 0.000 1.018 253 S CB 1.496 64.790 63.200 0.156 0.000 0.899 253 S HN 1.915 nan 8.310 nan 0.000 0.542 254 S N 0.041 115.857 115.700 0.194 0.000 2.615 254 S HA 0.776 5.246 4.470 -0.000 0.000 0.268 254 S C -1.116 173.641 174.600 0.262 0.000 1.146 254 S CA -0.743 57.576 58.200 0.199 0.000 0.818 254 S CB 1.198 64.488 63.200 0.150 0.000 1.111 254 S HN 1.114 nan 8.310 nan 0.000 0.465 255 S N 0.179 116.058 115.700 0.297 0.000 2.588 255 S HA 0.874 5.344 4.470 -0.000 0.000 0.269 255 S C -1.320 173.534 174.600 0.423 0.000 1.157 255 S CA -0.962 57.464 58.200 0.376 0.000 0.824 255 S CB 1.122 64.593 63.200 0.450 0.000 1.126 255 S HN 2.064 nan 8.310 nan 0.000 0.464 256 F N -1.054 119.027 119.950 0.218 0.000 2.591 256 F HA 0.867 5.394 4.527 -0.000 0.000 0.309 256 F C -0.989 174.914 175.800 0.172 0.000 1.098 256 F CA -0.654 57.448 58.000 0.169 0.000 0.937 256 F CB 1.411 40.491 39.000 0.134 0.000 1.250 256 F HN 0.607 nan 8.300 nan 0.000 0.447 257 T N 2.699 117.275 114.554 0.036 0.000 2.888 257 T HA 0.660 5.010 4.350 -0.000 0.000 0.284 257 T C -0.893 173.826 174.700 0.032 0.000 1.017 257 T CA -0.660 61.375 62.100 -0.109 0.000 1.022 257 T CB 1.990 70.822 68.868 -0.061 0.000 1.013 257 T HN 0.889 nan 8.240 nan 0.000 0.465 266 I N 2.239 122.657 120.570 -0.253 0.000 2.474 266 I HA 0.328 4.498 4.170 -0.000 0.000 0.294 266 I C -0.368 175.328 176.117 -0.703 0.000 1.005 266 I CA -1.035 59.987 61.300 -0.464 0.000 1.113 266 I CB 1.668 39.378 38.000 -0.483 0.000 1.289 266 I HN 0.363 nan 8.210 nan 0.000 0.436 267 N N 5.828 124.007 118.700 -0.868 0.000 2.425 267 N HA 0.360 5.100 4.740 -0.000 0.000 0.268 267 N C -1.455 173.401 175.510 -1.088 0.000 0.991 267 N CA -0.389 52.045 53.050 -1.027 0.000 0.931 267 N CB 1.492 39.105 38.487 -1.456 0.000 1.130 267 N HN 0.359 nan 8.380 nan 0.000 0.493 268 Y N 0.252 120.224 120.300 -0.547 0.000 2.328 268 Y HA 0.463 5.013 4.550 -0.000 0.000 0.336 268 Y C 0.241 176.171 175.900 0.050 0.000 0.960 268 Y CA -1.107 56.817 58.100 -0.294 0.000 1.134 268 Y CB 1.465 39.578 38.460 -0.579 0.000 1.166 268 Y HN 0.489 nan 8.280 nan 0.000 0.464 269 A N 4.540 127.545 122.820 0.309 0.000 2.316 269 A HA 0.348 4.668 4.320 -0.000 0.000 0.311 269 A C 0.061 177.725 177.584 0.134 0.000 1.339 269 A CA -0.758 51.320 52.037 0.068 0.000 0.960 269 A CB -0.269 18.481 19.000 -0.417 0.000 1.152 269 A HN 0.780 nan 8.150 nan 0.000 0.547 270 N N 1.480 120.301 118.700 0.200 0.000 2.267 270 N HA 0.010 4.750 4.740 -0.000 0.000 0.226 270 N C 0.177 175.749 175.510 0.104 0.000 1.314 270 N CA 0.312 53.466 53.050 0.174 0.000 0.887 270 N CB 0.449 39.043 38.487 0.179 0.000 1.120 270 N HN 0.692 nan 8.380 nan 0.000 0.440 271 K N 0.675 121.120 120.400 0.075 0.000 2.322 271 K HA 0.137 4.456 4.320 -0.000 0.000 0.283 271 K C -0.693 175.941 176.600 0.056 0.000 1.042 271 K CA -0.444 55.874 56.287 0.051 0.000 0.958 271 K CB 0.503 33.021 32.500 0.031 0.000 0.984 271 K HN 0.173 nan 8.250 nan 0.000 0.473 272 V N 6.655 126.601 119.914 0.055 0.000 2.493 272 V HA -0.066 4.054 4.120 -0.000 0.000 0.292 272 V C 0.791 176.881 176.094 -0.007 0.000 1.016 272 V CA 0.196 62.518 62.300 0.036 0.000 1.097 272 V CB 0.307 32.153 31.823 0.038 0.000 0.947 272 V HN 0.704 nan 8.190 nan 0.000 0.479 273 I N 6.378 126.931 120.570 -0.030 0.000 2.213 273 I HA 0.235 4.405 4.170 -0.000 0.000 0.295 273 I C 0.888 176.897 176.117 -0.179 0.000 1.172 273 I CA -0.684 60.570 61.300 -0.077 0.000 1.443 273 I CB -0.225 37.743 38.000 -0.054 0.000 1.491 273 I HN 0.882 nan 8.210 nan 0.000 0.652 274 N N 5.078 123.678 118.700 -0.168 0.000 2.260 274 N HA -0.090 4.650 4.740 -0.000 0.000 0.230 274 N C 0.157 175.397 175.510 -0.451 0.000 1.323 274 N CA 0.117 53.029 53.050 -0.229 0.000 0.897 274 N CB 0.081 38.492 38.487 -0.127 0.000 1.146 274 N HN 0.663 nan 8.380 nan 0.000 0.460 275 N N -1.575 116.860 118.700 -0.441 0.000 2.321 275 N HA 0.050 4.790 4.740 -0.000 0.000 0.242 275 N C -0.809 174.579 175.510 -0.205 0.000 1.141 275 N CA -0.656 51.984 53.050 -0.684 0.000 0.864 275 N CB -0.171 38.110 38.487 -0.344 0.000 1.100 275 N HN 0.326 nan 8.380 nan 0.000 0.510 276 N N 1.424 120.056 118.700 -0.114 0.000 2.454 276 N HA 0.240 4.980 4.740 -0.000 0.000 0.260 276 N C 0.637 176.281 175.510 0.225 0.000 1.218 276 N CA 0.949 54.036 53.050 0.061 0.000 0.904 276 N CB 1.512 40.024 38.487 0.043 0.000 1.065 276 N HN 0.629 nan 8.380 nan 0.000 0.462 277 G N 1.106 110.061 108.800 0.258 0.000 2.398 277 G HA2 0.037 3.997 3.960 -0.000 0.000 0.251 277 G HA3 0.037 3.997 3.960 -0.000 0.000 0.251 277 G C -1.762 173.224 174.900 0.142 0.000 1.277 277 G CA -0.687 44.584 45.100 0.286 0.000 0.927 277 G HN 0.713 nan 8.290 nan 0.000 0.477 278 N N -1.214 117.511 118.700 0.042 0.000 2.825 278 N HA 0.623 5.363 4.740 -0.000 0.000 0.253 278 N C -1.075 174.308 175.510 -0.211 0.000 1.426 278 N CA -0.753 52.208 53.050 -0.148 0.000 0.851 278 N CB 2.345 40.770 38.487 -0.103 0.000 1.470 278 N HN 0.890 nan 8.380 nan 0.000 0.517 279 M N 0.614 119.985 119.600 -0.381 0.000 2.446 279 M HA 0.465 4.945 4.480 -0.000 0.000 0.294 279 M C -2.329 173.796 176.300 -0.292 0.000 1.158 279 M CA -0.531 54.612 55.300 -0.262 0.000 0.899 279 M CB 2.511 34.970 32.600 -0.235 0.000 1.687 279 M HN 0.745 nan 8.290 nan 0.000 0.455 280 W N 3.965 125.250 121.300 -0.027 0.000 2.656 280 W HA 0.603 5.263 4.660 -0.000 0.000 0.327 280 W C -0.699 175.794 176.519 -0.043 0.000 1.041 280 W CA -0.528 56.859 57.345 0.070 0.000 1.229 280 W CB 1.665 31.214 29.460 0.147 0.000 1.397 280 W HN 0.517 nan 8.180 nan 0.000 0.479 281 R N 4.756 125.405 120.500 0.248 0.000 2.502 281 R HA 0.596 4.936 4.340 -0.000 0.000 0.300 281 R C -1.535 174.813 176.300 0.080 0.000 0.984 281 R CA -0.517 55.626 56.100 0.072 0.000 0.882 281 R CB 0.933 31.234 30.300 0.001 0.000 1.180 281 R HN 0.625 nan 8.270 nan 0.000 0.444 282 I N 6.126 126.717 120.570 0.036 0.000 2.410 282 I HA 0.375 4.545 4.170 -0.000 0.000 0.286 282 I C -0.680 175.361 176.117 -0.126 0.000 1.009 282 I CA -0.671 60.598 61.300 -0.051 0.000 1.111 282 I CB 1.811 39.842 38.000 0.051 0.000 1.262 282 I HN 0.431 nan 8.210 nan 0.000 0.443 283 L N 6.078 127.147 121.223 -0.257 0.000 2.370 283 L HA 0.629 4.969 4.340 -0.000 0.000 0.266 283 L C -1.623 175.184 176.870 -0.105 0.000 1.002 283 L CA -0.380 54.353 54.840 -0.179 0.000 0.818 283 L CB 2.444 44.340 42.059 -0.272 0.000 1.325 283 L HN 0.582 nan 8.230 nan 0.000 0.418 284 D N 2.246 122.713 120.400 0.111 0.000 2.890 284 D HA 0.367 5.007 4.640 -0.000 0.000 0.233 284 D C -1.670 174.824 176.300 0.323 0.000 1.306 284 D CA -0.183 53.974 54.000 0.262 0.000 0.929 284 D CB 1.506 42.549 40.800 0.404 0.000 1.512 284 D HN 0.762 nan 8.370 nan 0.000 0.568 285 H N 0.518 119.671 119.070 0.139 0.000 3.016 285 H HA 0.830 5.386 4.556 -0.000 0.000 0.362 285 H C -0.563 174.637 175.328 -0.214 0.000 1.233 285 H CA -0.872 55.138 56.048 -0.063 0.000 1.124 285 H CB 2.085 31.852 29.762 0.010 0.000 1.850 285 H HN 0.489 nan 8.280 nan 0.000 0.549 286 G N -0.611 107.712 108.800 -0.793 0.000 2.488 286 G HA2 0.648 4.608 3.960 -0.000 0.000 0.301 286 G HA3 0.648 4.608 3.960 -0.000 0.000 0.301 286 G C -1.904 172.550 174.900 -0.743 0.000 1.339 286 G CA -0.574 44.066 45.100 -0.767 0.000 0.803 286 G HN 1.151 nan 8.290 nan 0.000 0.482 287 A N -0.108 122.342 122.820 -0.617 0.000 2.456 287 A HA 0.810 5.130 4.320 -0.000 0.000 0.288 287 A C -0.579 176.930 177.584 -0.125 0.000 1.042 287 A CA -0.291 51.591 52.037 -0.259 0.000 0.738 287 A CB 0.644 19.602 19.000 -0.071 0.000 1.266 287 A HN 1.909 nan 8.150 nan 0.000 0.407 288 I N -1.669 118.921 120.570 0.033 0.000 3.191 288 I HA 0.813 4.982 4.170 -0.000 0.000 0.313 288 I C -0.576 175.595 176.117 0.090 0.000 1.193 288 I CA -0.886 60.458 61.300 0.074 0.000 0.968 288 I CB 2.290 40.355 38.000 0.108 0.000 1.262 288 I HN 0.291 nan 8.210 nan 0.000 0.456 289 S N 3.178 118.932 115.700 0.090 0.000 2.456 289 S HA 0.575 5.044 4.470 -0.000 0.000 0.316 289 S C -0.593 174.063 174.600 0.094 0.000 1.089 289 S CA -0.496 57.762 58.200 0.096 0.000 1.101 289 S CB 1.206 64.457 63.200 0.085 0.000 0.995 289 S HN 0.336 nan 8.310 nan 0.000 0.468 290 L N 4.082 125.379 121.223 0.124 0.000 2.407 290 L HA 0.516 4.856 4.340 -0.000 0.000 0.261 290 L C 1.157 178.118 176.870 0.152 0.000 1.108 290 L CA 0.619 55.521 54.840 0.102 0.000 0.995 290 L CB -0.802 41.288 42.059 0.053 0.000 1.349 290 L HN 1.021 nan 8.230 nan 0.000 0.423 291 G N 2.737 111.600 108.800 0.105 0.000 2.568 291 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.222 291 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.222 291 G C 0.376 175.322 174.900 0.076 0.000 1.321 291 G CA -0.005 45.155 45.100 0.101 0.000 0.893 291 G HN 0.383 nan 8.290 nan 0.000 0.569 292 D N 0.171 120.599 120.400 0.047 0.000 2.240 292 D HA 0.053 4.693 4.640 -0.000 0.000 0.206 292 D C 2.202 178.437 176.300 -0.107 0.000 0.963 292 D CA 1.068 55.058 54.000 -0.018 0.000 0.863 292 D CB 0.020 40.804 40.800 -0.027 0.000 0.973 292 D HN 0.279 nan 8.370 nan 0.000 0.501 293 K N -0.504 119.802 120.400 -0.157 0.000 2.374 293 K HA 0.102 4.422 4.320 -0.000 0.000 0.196 293 K C -0.191 176.010 176.600 -0.666 0.000 1.023 293 K CA -0.056 55.912 56.287 -0.533 0.000 1.103 293 K CB 0.340 32.405 32.500 -0.726 0.000 0.848 293 K HN 0.164 nan 8.250 nan 0.000 0.528 294 W N 0.778 122.008 121.300 -0.117 0.000 2.739 294 W HA 0.304 4.964 4.660 0.000 0.000 0.331 294 W C -0.592 175.905 176.519 -0.037 0.000 1.049 294 W CA -0.713 56.599 57.345 -0.055 0.000 1.234 294 W CB 1.478 30.940 29.460 0.003 0.000 1.404 294 W HN -0.207 nan 8.180 nan 0.000 0.477 295 D N 1.859 122.399 120.400 0.232 0.000 2.433 295 D HA 0.707 5.347 4.640 -0.000 0.000 0.236 295 D C -1.682 174.715 176.300 0.162 0.000 1.026 295 D CA -0.569 53.513 54.000 0.136 0.000 0.884 295 D CB 2.243 43.069 40.800 0.043 0.000 1.384 295 D HN 0.241 nan 8.370 nan 0.000 0.477 296 L N 1.123 122.413 121.223 0.112 0.000 2.493 296 L HA 0.546 4.886 4.340 -0.000 0.000 0.265 296 L C -1.822 175.110 176.870 0.104 0.000 0.954 296 L CA -0.260 54.658 54.840 0.131 0.000 0.844 296 L CB 1.617 43.770 42.059 0.156 0.000 1.302 296 L HN 0.403 nan 8.230 nan 0.000 0.405 297 M N 4.860 124.506 119.600 0.076 0.000 2.436 297 M HA 0.593 5.073 4.480 -0.000 0.000 0.331 297 M C -1.588 174.798 176.300 0.144 0.000 1.135 297 M CA -0.701 54.593 55.300 -0.010 0.000 0.987 297 M CB 1.990 34.538 32.600 -0.086 0.000 1.687 297 M HN 0.656 nan 8.290 nan 0.000 0.445 298 Y N -0.150 120.212 120.300 0.104 0.000 2.581 298 Y HA 0.845 5.395 4.550 -0.000 0.000 0.337 298 Y C -1.696 174.318 175.900 0.190 0.000 1.108 298 Y CA -1.402 56.779 58.100 0.134 0.000 1.033 298 Y CB 0.813 39.329 38.460 0.093 0.000 1.318 298 Y HN 0.401 nan 8.280 nan 0.000 0.459 299 V N 0.276 120.394 119.914 0.339 0.000 2.971 299 V HA 0.990 5.110 4.120 -0.000 0.000 0.309 299 V C -0.334 175.926 176.094 0.277 0.000 1.130 299 V CA -0.527 61.934 62.300 0.267 0.000 0.964 299 V CB 1.765 33.690 31.823 0.170 0.000 1.029 299 V HN 1.387 nan 8.190 nan 0.000 0.427 300 G N 2.724 111.657 108.800 0.221 0.000 2.719 300 G HA2 0.685 4.645 3.960 -0.000 0.000 0.284 300 G HA3 0.685 4.645 3.960 -0.000 0.000 0.284 300 G C -1.336 173.618 174.900 0.091 0.000 1.488 300 G CA -0.455 44.759 45.100 0.190 0.000 1.139 300 G HN 0.802 nan 8.290 nan 0.000 0.552 301 M N 2.810 122.406 119.600 -0.007 0.000 2.433 301 M HA 0.671 5.151 4.480 -0.000 0.000 0.290 301 M C -2.364 173.796 176.300 -0.233 0.000 1.173 301 M CA -1.096 54.102 55.300 -0.169 0.000 0.905 301 M CB 2.812 35.170 32.600 -0.403 0.000 1.692 301 M HN 0.535 nan 8.290 nan 0.000 0.462 302 Y N 3.420 123.477 120.300 -0.404 0.000 2.331 302 Y HA 0.558 5.108 4.550 -0.000 0.000 0.334 302 Y C -1.491 174.141 175.900 -0.446 0.000 0.960 302 Y CA -0.267 57.438 58.100 -0.659 0.000 1.130 302 Y CB 1.442 39.429 38.460 -0.788 0.000 1.164 302 Y HN 0.738 nan 8.280 nan 0.000 0.458 303 Q N 5.433 124.641 119.800 -0.987 0.000 2.304 303 Q HA 0.391 4.731 4.340 -0.000 0.000 0.270 303 Q C -2.037 173.556 176.000 -0.678 0.000 1.035 303 Q CA -0.797 54.647 55.803 -0.599 0.000 0.781 303 Q CB 1.387 29.977 28.738 -0.246 0.000 1.261 303 Q HN 0.779 nan 8.270 nan 0.000 0.444 304 N N 4.509 122.916 118.700 -0.488 0.000 2.491 304 N HA 0.383 5.123 4.740 -0.000 0.000 0.274 304 N C -1.649 173.754 175.510 -0.178 0.000 1.023 304 N CA -0.371 52.486 53.050 -0.323 0.000 0.902 304 N CB 1.101 39.460 38.487 -0.214 0.000 1.267 304 N HN 0.627 nan 8.380 nan 0.000 0.503 305 I N 2.025 122.434 120.570 -0.268 0.000 2.306 305 I HA 0.186 4.356 4.170 -0.000 0.000 0.288 305 I C -0.307 175.546 176.117 -0.440 0.000 1.036 305 I CA -0.574 60.456 61.300 -0.451 0.000 1.221 305 I CB 0.820 38.386 38.000 -0.724 0.000 1.385 305 I HN 0.467 nan 8.210 nan 0.000 0.472 306 D N 7.648 127.887 120.400 -0.268 0.000 2.428 306 D HA 0.147 4.787 4.640 -0.000 0.000 0.221 306 D C -0.980 175.316 176.300 -0.006 0.000 1.123 306 D CA -0.206 53.742 54.000 -0.088 0.000 0.869 306 D CB 0.569 41.403 40.800 0.055 0.000 1.032 306 D HN 0.186 nan 8.370 nan 0.000 0.506 307 W N 2.429 123.743 121.300 0.023 0.000 2.449 307 W HA 0.208 4.868 4.660 -0.000 0.000 0.331 307 W C 1.063 177.596 176.519 0.024 0.000 1.119 307 W CA -0.881 56.472 57.345 0.014 0.000 1.240 307 W CB 1.175 30.632 29.460 -0.005 0.000 1.251 307 W HN 0.335 nan 8.180 nan 0.000 0.576 308 D N 1.031 121.604 120.400 0.288 0.000 2.144 308 D HA -0.206 4.434 4.640 -0.000 0.000 0.199 308 D C 1.517 177.896 176.300 0.131 0.000 0.984 308 D CA 1.609 55.707 54.000 0.164 0.000 0.834 308 D CB -0.264 40.607 40.800 0.118 0.000 0.955 308 D HN 0.421 nan 8.370 nan 0.000 0.465 309 N N 0.357 119.128 118.700 0.117 0.000 2.521 309 N HA -0.115 4.625 4.740 -0.000 0.000 0.188 309 N C -0.019 175.562 175.510 0.118 0.000 1.146 309 N CA 0.221 53.318 53.050 0.078 0.000 0.893 309 N CB -0.399 38.080 38.487 -0.014 0.000 0.975 309 N HN -0.076 nan 8.380 nan 0.000 0.451 310 N N -0.701 118.100 118.700 0.167 0.000 2.753 310 N HA -0.165 4.575 4.740 -0.000 0.000 0.251 310 N C -0.599 174.993 175.510 0.138 0.000 1.097 310 N CA 0.884 54.018 53.050 0.140 0.000 0.786 310 N CB -1.389 37.154 38.487 0.094 0.000 1.137 310 N HN 0.465 nan 8.380 nan 0.000 0.566 311 L N -0.324 121.035 121.223 0.226 0.000 2.791 311 L HA 0.292 4.632 4.340 -0.000 0.000 0.239 311 L C 1.702 178.796 176.870 0.373 0.000 1.203 311 L CA -0.029 54.941 54.840 0.217 0.000 1.002 311 L CB 0.190 42.297 42.059 0.081 0.000 1.295 311 L HN 0.114 nan 8.230 nan 0.000 0.504 312 G N 0.269 109.200 108.800 0.218 0.000 2.509 312 G HA2 0.557 4.517 3.960 -0.000 0.000 0.269 312 G HA3 0.557 4.517 3.960 -0.000 0.000 0.269 312 G C -0.266 174.561 174.900 -0.122 0.000 1.416 312 G CA 0.129 45.161 45.100 -0.114 0.000 1.052 312 G HN 0.195 nan 8.290 nan 0.000 0.542 313 T N -2.937 111.510 114.554 -0.179 0.000 2.932 313 T HA 0.553 4.903 4.350 -0.000 0.000 0.318 313 T C -1.297 173.357 174.700 -0.076 0.000 1.265 313 T CA -0.738 61.311 62.100 -0.084 0.000 1.036 313 T CB 2.398 71.275 68.868 0.016 0.000 1.209 313 T HN 0.538 nan 8.240 nan 0.000 0.484 314 E N 1.339 121.537 120.200 -0.003 0.000 2.129 314 E HA 0.456 4.806 4.350 -0.000 0.000 0.268 314 E C -1.735 174.918 176.600 0.089 0.000 0.900 314 E CA -0.755 55.621 56.400 -0.039 0.000 0.755 314 E CB 1.058 30.798 29.700 0.067 0.000 1.117 314 E HN 0.666 nan 8.360 nan 0.000 0.410 315 W N 6.511 127.612 121.300 -0.331 0.000 2.656 315 W HA 0.491 5.151 4.660 -0.000 0.000 0.327 315 W C -2.115 174.220 176.519 -0.306 0.000 1.041 315 W CA -1.317 55.912 57.345 -0.194 0.000 1.229 315 W CB 0.820 30.179 29.460 -0.168 0.000 1.397 315 W HN 0.495 nan 8.180 nan 0.000 0.479 316 W N 4.777 126.123 121.300 0.077 0.000 2.656 316 W HA 0.576 5.236 4.660 -0.000 0.000 0.327 316 W C -0.242 176.165 176.519 -0.186 0.000 1.041 316 W CA -0.784 56.532 57.345 -0.048 0.000 1.229 316 W CB 2.460 32.031 29.460 0.185 0.000 1.397 316 W HN 0.285 nan 8.180 nan 0.000 0.479 317 T N 2.415 116.945 114.554 -0.041 0.000 2.952 317 T HA 0.728 5.078 4.350 -0.000 0.000 0.305 317 T C -1.829 172.993 174.700 0.202 0.000 1.064 317 T CA -0.469 61.658 62.100 0.045 0.000 1.008 317 T CB 0.877 69.588 68.868 -0.262 0.000 1.078 317 T HN 0.196 nan 8.240 nan 0.000 0.459 318 V N 2.832 122.945 119.914 0.331 0.000 2.733 318 V HA 0.944 5.064 4.120 -0.000 0.000 0.306 318 V C 0.348 176.564 176.094 0.203 0.000 1.084 318 V CA -0.599 61.868 62.300 0.279 0.000 0.905 318 V CB 1.773 33.736 31.823 0.233 0.000 1.010 318 V HN 1.177 nan 8.190 nan 0.000 0.424 319 G N 1.471 110.402 108.800 0.217 0.000 2.692 319 G HA2 0.725 4.685 3.960 -0.000 0.000 0.291 319 G HA3 0.725 4.685 3.960 -0.000 0.000 0.291 319 G C -2.213 172.792 174.900 0.175 0.000 1.423 319 G CA -0.719 44.410 45.100 0.049 0.000 0.843 319 G HN 0.719 nan 8.290 nan 0.000 0.486 320 V N -0.078 119.905 119.914 0.115 0.000 2.932 320 V HA 0.798 4.918 4.120 -0.000 0.000 0.307 320 V C -0.880 175.299 176.094 0.141 0.000 1.147 320 V CA -0.918 61.475 62.300 0.155 0.000 0.951 320 V CB 2.326 34.207 31.823 0.098 0.000 1.031 320 V HN 0.908 nan 8.190 nan 0.000 0.426 321 R N 6.447 127.042 120.500 0.157 0.000 2.607 321 R HA 0.488 4.828 4.340 -0.000 0.000 0.278 321 R C -2.894 173.491 176.300 0.142 0.000 1.637 321 R CA -1.290 54.895 56.100 0.142 0.000 1.325 321 R CB 1.909 32.290 30.300 0.135 0.000 1.211 321 R HN 0.491 nan 8.270 nan 0.000 0.565 322 P HA 0.176 nan 4.420 nan 0.000 0.281 322 P C -1.063 176.398 177.300 0.267 0.000 1.249 322 P CA -0.504 62.742 63.100 0.244 0.000 0.810 322 P CB 1.522 33.380 31.700 0.263 0.000 1.008 323 M N 3.653 123.419 119.600 0.276 0.000 2.197 323 M HA 0.335 4.815 4.480 -0.000 0.000 0.301 323 M C -1.919 174.351 176.300 -0.052 0.000 0.987 323 M CA -1.028 54.338 55.300 0.110 0.000 0.921 323 M CB 1.507 34.122 32.600 0.024 0.000 1.569 323 M HN 0.280 nan 8.290 nan 0.000 0.431 324 Y N 4.763 124.802 120.300 -0.435 0.000 2.335 324 Y HA 0.424 4.974 4.550 -0.000 0.000 0.339 324 Y C -0.871 174.579 175.900 -0.751 0.000 0.987 324 Y CA -0.348 57.140 58.100 -1.020 0.000 1.140 324 Y CB 1.018 38.703 38.460 -1.293 0.000 1.173 324 Y HN 0.537 nan 8.280 nan 0.000 0.486 325 K N 6.614 126.203 120.400 -1.353 0.000 2.257 325 K HA 0.070 4.390 4.320 -0.000 0.000 0.270 325 K C -0.107 175.932 176.600 -0.935 0.000 1.098 325 K CA -0.256 55.520 56.287 -0.851 0.000 0.943 325 K CB 0.424 32.603 32.500 -0.534 0.000 1.316 325 K HN 0.827 nan 8.250 nan 0.000 0.447 326 W N 1.775 122.810 121.300 -0.442 0.000 2.355 326 W HA -0.191 4.469 4.660 -0.000 0.000 0.309 326 W C 1.435 177.847 176.519 -0.179 0.000 1.206 326 W CA 1.059 58.275 57.345 -0.214 0.000 1.284 326 W CB 0.053 29.467 29.460 -0.077 0.000 1.145 326 W HN 0.470 nan 8.180 nan 0.000 0.502 327 T N -5.812 108.783 114.554 0.068 0.000 2.812 327 T HA 0.337 4.687 4.350 -0.000 0.000 0.294 327 T C -2.325 172.362 174.700 -0.022 0.000 1.159 327 T CA -1.673 60.442 62.100 0.025 0.000 1.008 327 T CB 1.661 70.572 68.868 0.072 0.000 1.289 327 T HN -0.444 nan 8.240 nan 0.000 0.514 328 P HA 0.064 nan 4.420 nan 0.000 0.218 328 P C 1.163 178.470 177.300 0.012 0.000 1.148 328 P CA 0.775 63.870 63.100 -0.007 0.000 0.822 328 P CB -0.252 31.454 31.700 0.011 0.000 0.784 329 I N -6.480 114.115 120.570 0.042 0.000 4.025 329 I HA 0.382 4.552 4.170 -0.000 0.000 0.336 329 I C 0.438 176.585 176.117 0.051 0.000 1.390 329 I CA 0.067 61.411 61.300 0.073 0.000 1.099 329 I CB -0.161 37.913 38.000 0.124 0.000 1.049 329 I HN -0.199 nan 8.210 nan 0.000 0.394 330 M N 1.825 121.410 119.600 -0.025 0.000 2.386 330 M HA 0.722 5.202 4.480 -0.000 0.000 0.293 330 M C -1.287 174.974 176.300 -0.066 0.000 1.120 330 M CA -0.232 54.958 55.300 -0.183 0.000 0.909 330 M CB 1.933 34.401 32.600 -0.219 0.000 1.661 330 M HN 0.320 nan 8.290 nan 0.000 0.452 331 S N 1.942 117.582 115.700 -0.101 0.000 2.656 331 S HA 0.747 5.217 4.470 -0.000 0.000 0.273 331 S C -1.141 173.517 174.600 0.097 0.000 1.168 331 S CA -0.751 57.471 58.200 0.036 0.000 0.817 331 S CB 2.262 65.409 63.200 -0.089 0.000 1.146 331 S HN 0.635 nan 8.310 nan 0.000 0.475 332 T N 1.472 116.128 114.554 0.170 0.000 2.812 332 T HA 0.650 5.000 4.350 -0.000 0.000 0.282 332 T C -0.885 173.892 174.700 0.129 0.000 0.990 332 T CA -0.402 61.822 62.100 0.207 0.000 0.960 332 T CB 0.620 69.739 68.868 0.417 0.000 0.948 332 T HN 0.522 nan 8.240 nan 0.000 0.438 333 L N 3.246 124.547 121.223 0.131 0.000 2.330 333 L HA 0.810 5.150 4.340 -0.000 0.000 0.271 333 L C -0.936 176.034 176.870 0.167 0.000 1.013 333 L CA -1.041 53.881 54.840 0.137 0.000 0.816 333 L CB 1.756 43.887 42.059 0.119 0.000 1.287 333 L HN 0.416 nan 8.230 nan 0.000 0.435 334 L N 1.823 123.149 121.223 0.171 0.000 2.431 334 L HA 0.581 4.921 4.340 -0.000 0.000 0.266 334 L C -1.091 175.873 176.870 0.157 0.000 0.978 334 L CA -0.024 54.918 54.840 0.170 0.000 0.822 334 L CB 2.076 44.236 42.059 0.169 0.000 1.310 334 L HN 0.673 nan 8.230 nan 0.000 0.409 335 E N 3.616 123.911 120.200 0.158 0.000 2.246 335 E HA 0.688 5.038 4.350 -0.000 0.000 0.266 335 E C -2.015 174.657 176.600 0.119 0.000 0.880 335 E CA -0.703 55.785 56.400 0.146 0.000 0.762 335 E CB 2.014 31.817 29.700 0.172 0.000 1.180 335 E HN 0.498 nan 8.360 nan 0.000 0.416 336 V N 3.286 123.232 119.914 0.054 0.000 2.483 336 V HA 0.782 4.902 4.120 -0.000 0.000 0.297 336 V C 0.119 176.093 176.094 -0.201 0.000 1.027 336 V CA -0.449 61.855 62.300 0.008 0.000 0.855 336 V CB 1.694 33.535 31.823 0.030 0.000 0.995 336 V HN 0.741 nan 8.190 nan 0.000 0.424 337 G N 2.848 111.441 108.800 -0.346 0.000 2.638 337 G HA2 0.623 4.583 3.960 -0.000 0.000 0.302 337 G HA3 0.623 4.583 3.960 -0.000 0.000 0.302 337 G C -2.231 172.528 174.900 -0.235 0.000 1.365 337 G CA -0.576 43.941 45.100 -0.972 0.000 0.987 337 G HN 0.560 nan 8.290 nan 0.000 0.495 338 Y N 1.375 121.573 120.300 -0.170 0.000 2.391 338 Y HA 0.593 5.143 4.550 -0.000 0.000 0.341 338 Y C -1.091 174.979 175.900 0.283 0.000 0.965 338 Y CA -1.056 57.118 58.100 0.124 0.000 1.067 338 Y CB 2.164 40.679 38.460 0.091 0.000 1.199 338 Y HN 0.426 nan 8.280 nan 0.000 0.450 339 D N 4.603 124.797 120.400 -0.343 0.000 2.619 339 D HA 0.238 4.878 4.640 -0.000 0.000 0.241 339 D C -1.485 174.600 176.300 -0.358 0.000 1.087 339 D CA -0.523 53.435 54.000 -0.070 0.000 0.851 339 D CB 2.116 43.056 40.800 0.235 0.000 1.474 339 D HN 0.558 nan 8.370 nan 0.000 0.478 340 N N 1.660 120.398 118.700 0.064 0.000 2.500 340 N HA 0.257 4.997 4.740 -0.000 0.000 0.291 340 N C -1.813 173.953 175.510 0.426 0.000 1.092 340 N CA -0.331 52.821 53.050 0.169 0.000 0.890 340 N CB 1.851 40.482 38.487 0.240 0.000 1.466 340 N HN 0.045 nan 8.380 nan 0.000 0.507 341 V N 3.179 123.284 119.914 0.318 0.000 2.444 341 V HA 0.421 4.541 4.120 -0.000 0.000 0.294 341 V C 0.241 176.609 176.094 0.456 0.000 1.022 341 V CA -0.892 61.616 62.300 0.348 0.000 0.850 341 V CB 1.691 33.629 31.823 0.193 0.000 0.992 341 V HN 0.454 nan 8.190 nan 0.000 0.426 342 K N 2.853 123.455 120.400 0.337 0.000 2.240 342 K HA 0.397 4.717 4.320 -0.000 0.000 0.271 342 K C 0.106 176.664 176.600 -0.070 0.000 1.018 342 K CA -0.062 56.341 56.287 0.193 0.000 0.874 342 K CB 1.640 34.243 32.500 0.172 0.000 1.098 342 K HN 0.747 nan 8.250 nan 0.000 0.458 343 S N 3.135 118.501 115.700 -0.557 0.000 2.510 343 S HA -0.023 4.447 4.470 -0.000 0.000 0.279 343 S C 1.137 175.465 174.600 -0.454 0.000 1.284 343 S CA 0.037 57.636 58.200 -1.001 0.000 1.059 343 S CB 1.085 63.143 63.200 -1.903 0.000 0.901 343 S HN 0.782 nan 8.310 nan 0.000 0.491 344 Q N 3.363 122.994 119.800 -0.281 0.000 2.119 344 Q HA -0.180 4.160 4.340 -0.000 0.000 0.201 344 Q C 1.999 177.930 176.000 -0.115 0.000 0.972 344 Q CA 1.556 57.282 55.803 -0.129 0.000 0.847 344 Q CB -0.141 28.563 28.738 -0.057 0.000 0.903 344 Q HN 0.950 nan 8.270 nan 0.000 0.433 345 Q N -0.411 119.296 119.800 -0.156 0.000 1.965 345 Q HA -0.157 4.183 4.340 -0.000 0.000 0.200 345 Q C 2.003 177.940 176.000 -0.105 0.000 0.981 345 Q CA 2.213 57.962 55.803 -0.090 0.000 0.834 345 Q CB -0.091 28.612 28.738 -0.060 0.000 0.900 345 Q HN 0.538 nan 8.270 nan 0.000 0.426 346 T N -3.993 110.442 114.554 -0.199 0.000 3.067 346 T HA 0.200 4.550 4.350 -0.000 0.000 0.257 346 T C 1.312 175.940 174.700 -0.121 0.000 1.105 346 T CA 0.995 63.012 62.100 -0.138 0.000 1.104 346 T CB 0.339 69.124 68.868 -0.138 0.000 0.925 346 T HN 0.622 nan 8.240 nan 0.000 0.498 347 G N 1.205 109.901 108.800 -0.174 0.000 2.179 347 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.260 347 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.260 347 G C -0.160 174.707 174.900 -0.055 0.000 0.977 347 G CA 0.220 45.266 45.100 -0.089 0.000 0.641 347 G HN 0.616 nan 8.290 nan 0.000 0.533 348 D N 0.146 120.489 120.400 -0.096 0.000 2.358 348 D HA 0.504 5.144 4.640 -0.000 0.000 0.244 348 D C 0.825 177.247 176.300 0.203 0.000 1.163 348 D CA 0.105 54.150 54.000 0.074 0.000 0.945 348 D CB 0.604 41.512 40.800 0.180 0.000 1.152 348 D HN 0.325 nan 8.370 nan 0.000 0.451 349 R N 1.003 121.711 120.500 0.347 0.000 2.670 349 R HA 0.389 4.729 4.340 -0.000 0.000 0.289 349 R C -0.649 175.861 176.300 0.350 0.000 0.965 349 R CA -0.832 55.507 56.100 0.398 0.000 0.899 349 R CB 1.449 31.909 30.300 0.267 0.000 1.173 349 R HN 0.307 nan 8.270 nan 0.000 0.456 350 N N 1.787 120.653 118.700 0.277 0.000 2.362 350 N HA 0.320 5.060 4.740 -0.000 0.000 0.298 350 N C -1.232 174.322 175.510 0.074 0.000 1.048 350 N CA -0.728 52.336 53.050 0.024 0.000 0.858 350 N CB 1.756 40.059 38.487 -0.306 0.000 1.218 350 N HN 0.630 nan 8.380 nan 0.000 0.488 351 N N -0.291 118.458 118.700 0.081 0.000 2.494 351 N HA 0.455 5.195 4.740 -0.000 0.000 0.270 351 N C -1.549 174.033 175.510 0.120 0.000 1.285 351 N CA -0.804 52.286 53.050 0.067 0.000 0.812 351 N CB 2.121 40.693 38.487 0.142 0.000 1.557 351 N HN 0.455 nan 8.380 nan 0.000 0.487 352 Q N 0.047 119.895 119.800 0.080 0.000 2.426 352 Q HA 0.395 4.735 4.340 -0.000 0.000 0.278 352 Q C -2.095 174.060 176.000 0.260 0.000 1.007 352 Q CA -0.882 55.023 55.803 0.171 0.000 0.850 352 Q CB 1.717 30.536 28.738 0.135 0.000 1.427 352 Q HN 0.776 nan 8.270 nan 0.000 0.391 353 Y N 0.438 120.864 120.300 0.209 0.000 2.421 353 Y HA 0.715 5.265 4.550 -0.000 0.000 0.339 353 Y C -1.665 174.319 175.900 0.139 0.000 0.996 353 Y CA -0.937 57.292 58.100 0.215 0.000 1.046 353 Y CB 1.344 39.977 38.460 0.288 0.000 1.226 353 Y HN 0.630 nan 8.280 nan 0.000 0.445 354 K N 4.433 124.986 120.400 0.255 0.000 2.378 354 K HA 0.752 5.072 4.320 -0.000 0.000 0.252 354 K C -1.847 174.914 176.600 0.268 0.000 0.931 354 K CA -0.665 55.735 56.287 0.188 0.000 0.794 354 K CB 1.874 34.500 32.500 0.211 0.000 1.181 354 K HN 0.671 nan 8.250 nan 0.000 0.425 355 I N 2.935 123.698 120.570 0.322 0.000 2.406 355 I HA 0.347 4.517 4.170 -0.000 0.000 0.290 355 I C -0.703 175.598 176.117 0.306 0.000 0.999 355 I CA -0.593 60.892 61.300 0.308 0.000 1.124 355 I CB 1.353 39.562 38.000 0.349 0.000 1.289 355 I HN 0.769 nan 8.210 nan 0.000 0.441 356 T N 6.819 121.528 114.554 0.258 0.000 2.861 356 T HA 0.527 4.877 4.350 -0.000 0.000 0.287 356 T C -0.624 174.227 174.700 0.251 0.000 1.003 356 T CA -0.514 61.754 62.100 0.280 0.000 0.977 356 T CB 2.137 71.148 68.868 0.238 0.000 0.996 356 T HN 0.313 nan 8.240 nan 0.000 0.448 357 L N 3.174 124.568 121.223 0.285 0.000 2.349 357 L HA 0.854 5.194 4.340 -0.000 0.000 0.278 357 L C -1.074 175.968 176.870 0.287 0.000 0.996 357 L CA -0.544 54.442 54.840 0.243 0.000 0.825 357 L CB 0.949 43.132 42.059 0.207 0.000 1.243 357 L HN 0.862 nan 8.230 nan 0.000 0.412 358 A N 4.375 127.344 122.820 0.249 0.000 2.449 358 A HA 0.656 4.976 4.320 -0.000 0.000 0.302 358 A C -1.235 176.451 177.584 0.169 0.000 1.048 358 A CA -0.557 51.641 52.037 0.267 0.000 0.708 358 A CB 1.996 21.178 19.000 0.303 0.000 1.274 358 A HN 0.623 nan 8.150 nan 0.000 0.410 359 Q N 0.880 120.759 119.800 0.131 0.000 2.271 359 Q HA 0.577 4.917 4.340 -0.000 0.000 0.258 359 Q C -0.569 175.353 176.000 -0.130 0.000 0.936 359 Q CA 0.010 55.783 55.803 -0.050 0.000 0.909 359 Q CB 1.205 29.895 28.738 -0.081 0.000 1.253 359 Q HN 0.757 nan 8.270 nan 0.000 0.440 360 Q N 3.415 123.016 119.800 -0.332 0.000 2.389 360 Q HA 0.443 4.783 4.340 -0.000 0.000 0.277 360 Q C -1.564 174.177 176.000 -0.431 0.000 1.082 360 Q CA -0.613 55.070 55.803 -0.200 0.000 0.810 360 Q CB 1.317 30.054 28.738 -0.001 0.000 1.374 360 Q HN 0.675 nan 8.270 nan 0.000 0.422 361 W N 4.461 125.803 121.300 0.070 0.000 2.532 361 W HA 0.351 5.011 4.660 0.000 0.000 0.321 361 W C -0.341 176.199 176.519 0.034 0.000 1.037 361 W CA -0.518 56.858 57.345 0.050 0.000 1.220 361 W CB 2.030 31.513 29.460 0.039 0.000 1.361 361 W HN 0.654 nan 8.180 nan 0.000 0.468 362 Q N 1.223 121.127 119.800 0.173 0.000 2.456 362 Q HA 0.606 4.946 4.340 -0.000 0.000 0.283 362 Q C -1.069 174.984 176.000 0.087 0.000 1.084 362 Q CA -0.867 54.998 55.803 0.104 0.000 0.801 362 Q CB 1.729 30.495 28.738 0.047 0.000 1.434 362 Q HN 0.423 nan 8.270 nan 0.000 0.419 363 A N 0.865 123.722 122.820 0.062 0.000 3.026 363 A HA 0.610 4.930 4.320 -0.000 0.000 0.272 363 A C 0.558 178.178 177.584 0.060 0.000 1.782 363 A CA 0.679 52.752 52.037 0.060 0.000 1.451 363 A CB -1.373 17.657 19.000 0.049 0.000 1.081 363 A HN 1.329 nan 8.150 nan 0.000 0.611 364 G N 0.817 109.653 108.800 0.059 0.000 2.351 364 G HA2 0.263 4.223 3.960 -0.000 0.000 0.353 364 G HA3 0.263 4.223 3.960 -0.000 0.000 0.353 364 G C -0.620 174.306 174.900 0.043 0.000 1.358 364 G CA -0.052 45.083 45.100 0.058 0.000 0.995 364 G HN 0.644 nan 8.290 nan 0.000 0.611 365 D N -0.855 119.568 120.400 0.037 0.000 2.615 365 D HA 0.438 5.078 4.640 -0.000 0.000 0.236 365 D C 0.601 176.912 176.300 0.020 0.000 1.233 365 D CA 0.275 54.280 54.000 0.008 0.000 0.829 365 D CB 0.758 41.551 40.800 -0.012 0.000 1.024 365 D HN 0.509 nan 8.370 nan 0.000 0.490 366 S N -0.270 115.466 115.700 0.061 0.000 2.607 366 S HA 0.422 4.892 4.470 -0.000 0.000 0.303 366 S C 0.788 175.425 174.600 0.062 0.000 1.086 366 S CA -0.867 57.391 58.200 0.096 0.000 0.995 366 S CB 1.310 64.630 63.200 0.202 0.000 1.084 366 S HN 0.195 nan 8.310 nan 0.000 0.507 367 I N 2.086 122.657 120.570 0.002 0.000 2.756 367 I HA 0.036 4.206 4.170 -0.000 0.000 0.262 367 I C 0.447 176.467 176.117 -0.162 0.000 1.225 367 I CA 1.012 62.236 61.300 -0.128 0.000 1.472 367 I CB 0.093 37.952 38.000 -0.234 0.000 1.094 367 I HN 0.766 nan 8.210 nan 0.000 0.454 368 W N 0.225 121.586 121.300 0.101 0.000 3.211 368 W HA 0.197 4.857 4.660 -0.000 0.000 0.292 368 W C 1.248 177.858 176.519 0.151 0.000 1.268 368 W CA -0.497 56.959 57.345 0.185 0.000 1.702 368 W CB 0.070 29.660 29.460 0.217 0.000 1.092 368 W HN -0.118 nan 8.180 nan 0.000 0.643 369 S N 2.121 117.967 115.700 0.243 0.000 2.533 369 S HA 0.329 4.799 4.470 -0.000 0.000 0.282 369 S C 0.266 174.838 174.600 -0.047 0.000 1.304 369 S CA -0.123 58.151 58.200 0.123 0.000 1.063 369 S CB 0.443 63.697 63.200 0.089 0.000 0.881 369 S HN -0.001 nan 8.310 nan 0.000 0.493 370 R N 2.264 122.683 120.500 -0.134 0.000 2.740 370 R HA 0.512 4.851 4.340 -0.000 0.000 0.273 370 R C -2.803 173.428 176.300 -0.114 0.000 0.998 370 R CA -2.110 53.812 56.100 -0.296 0.000 0.900 370 R CB 0.684 30.469 30.300 -0.858 0.000 1.223 370 R HN 0.386 nan 8.270 nan 0.000 0.466 371 P HA 0.318 nan 4.420 nan 0.000 0.271 371 P C -1.084 176.186 177.300 -0.049 0.000 1.244 371 P CA -0.334 62.714 63.100 -0.086 0.000 0.793 371 P CB 0.708 32.385 31.700 -0.038 0.000 0.984 372 A N 1.015 123.820 122.820 -0.026 0.000 2.520 372 A HA 0.688 5.008 4.320 -0.000 0.000 0.298 372 A C -0.939 176.709 177.584 0.106 0.000 1.051 372 A CA -0.681 51.385 52.037 0.049 0.000 0.690 372 A CB 1.051 20.061 19.000 0.016 0.000 1.281 372 A HN 0.416 nan 8.150 nan 0.000 0.402 373 I N 1.720 122.413 120.570 0.205 0.000 2.436 373 I HA 0.507 4.677 4.170 -0.000 0.000 0.289 373 I C -0.057 176.283 176.117 0.372 0.000 1.010 373 I CA -0.407 61.039 61.300 0.244 0.000 1.098 373 I CB 2.025 40.148 38.000 0.205 0.000 1.266 373 I HN 0.732 nan 8.210 nan 0.000 0.434 374 R N 6.567 127.267 120.500 0.333 0.000 2.803 374 R HA 0.765 5.105 4.340 -0.000 0.000 0.276 374 R C -0.980 175.571 176.300 0.418 0.000 0.978 374 R CA -0.827 55.501 56.100 0.379 0.000 0.939 374 R CB 2.595 33.104 30.300 0.349 0.000 1.179 374 R HN 0.584 nan 8.270 nan 0.000 0.472 375 I N -0.439 120.375 120.570 0.406 0.000 2.466 375 I HA 0.654 4.824 4.170 -0.000 0.000 0.289 375 I C -0.945 175.369 176.117 0.329 0.000 1.026 375 I CA -0.886 60.596 61.300 0.302 0.000 1.078 375 I CB 1.328 39.501 38.000 0.289 0.000 1.249 375 I HN 0.563 nan 8.210 nan 0.000 0.429 376 F N 3.771 123.896 119.950 0.293 0.000 2.675 376 F HA 1.003 5.530 4.527 -0.000 0.000 0.324 376 F C -1.029 174.998 175.800 0.378 0.000 1.106 376 F CA -1.260 56.914 58.000 0.289 0.000 0.970 376 F CB 1.566 40.723 39.000 0.262 0.000 1.385 376 F HN 0.671 nan 8.300 nan 0.000 0.489 377 A N 0.924 124.123 122.820 0.632 0.000 2.408 377 A HA 0.732 5.052 4.320 -0.000 0.000 0.295 377 A C -1.238 176.760 177.584 0.690 0.000 1.040 377 A CA -0.577 51.846 52.037 0.643 0.000 0.707 377 A CB 1.337 20.603 19.000 0.443 0.000 1.235 377 A HN 0.841 nan 8.150 nan 0.000 0.418 378 T N 1.608 116.623 114.554 0.769 0.000 2.863 378 T HA 0.610 4.960 4.350 -0.000 0.000 0.285 378 T C -1.576 173.512 174.700 0.646 0.000 1.009 378 T CA -0.131 62.347 62.100 0.630 0.000 0.989 378 T CB 1.076 70.299 68.868 0.591 0.000 1.004 378 T HN 0.616 nan 8.240 nan 0.000 0.455 379 Y N 1.767 122.275 120.300 0.346 0.000 2.406 379 Y HA 0.677 5.227 4.550 -0.000 0.000 0.340 379 Y C -1.156 174.772 175.900 0.047 0.000 0.975 379 Y CA -0.930 57.301 58.100 0.218 0.000 1.056 379 Y CB 1.170 39.727 38.460 0.162 0.000 1.210 379 Y HN 0.808 nan 8.280 nan 0.000 0.448 380 A N 5.437 127.691 122.820 -0.943 0.000 2.422 380 A HA 0.731 5.051 4.320 -0.000 0.000 0.302 380 A C -1.800 175.164 177.584 -1.034 0.000 1.041 380 A CA -0.893 50.658 52.037 -0.809 0.000 0.708 380 A CB 1.493 20.114 19.000 -0.631 0.000 1.257 380 A HN 0.608 nan 8.150 nan 0.000 0.414 381 K N 1.726 121.585 120.400 -0.900 0.000 2.426 381 K HA 0.697 5.017 4.320 -0.000 0.000 0.254 381 K C -1.472 174.917 176.600 -0.351 0.000 0.936 381 K CA -0.352 55.441 56.287 -0.822 0.000 0.801 381 K CB 0.853 32.868 32.500 -0.808 0.000 1.139 381 K HN 0.867 nan 8.250 nan 0.000 0.424 382 W N 1.593 122.734 121.300 -0.264 0.000 2.962 382 W HA 0.637 5.297 4.660 -0.000 0.000 0.341 382 W C -1.292 175.187 176.519 -0.067 0.000 1.155 382 W CA -0.857 56.407 57.345 -0.136 0.000 1.165 382 W CB 1.200 30.582 29.460 -0.129 0.000 1.435 382 W HN 0.548 nan 8.180 nan 0.000 0.546 383 D N 1.210 121.741 120.400 0.219 0.000 2.336 383 D HA 0.215 4.855 4.640 -0.000 0.000 0.248 383 D C -1.317 175.069 176.300 0.144 0.000 1.326 383 D CA -0.243 53.840 54.000 0.138 0.000 0.973 383 D CB 0.913 41.774 40.800 0.102 0.000 1.255 383 D HN 0.504 nan 8.370 nan 0.000 0.558 384 E N 3.124 123.408 120.200 0.139 0.000 2.113 384 E HA 0.234 4.584 4.350 -0.000 0.000 0.273 384 E C 0.568 177.179 176.600 0.019 0.000 0.924 384 E CA -0.772 55.631 56.400 0.005 0.000 0.764 384 E CB 1.849 31.492 29.700 -0.095 0.000 1.104 384 E HN 0.187 nan 8.360 nan 0.000 0.406 385 K N 2.209 122.645 120.400 0.059 0.000 2.361 385 K HA 0.057 4.377 4.320 -0.000 0.000 0.196 385 K C 0.421 177.148 176.600 0.212 0.000 1.039 385 K CA 0.555 56.928 56.287 0.143 0.000 1.001 385 K CB 0.420 33.038 32.500 0.198 0.000 0.795 385 K HN 0.597 nan 8.250 nan 0.000 0.495 386 W N -0.607 120.688 121.300 -0.008 0.000 3.040 386 W HA 0.666 5.326 4.660 0.000 0.000 0.344 386 W C -0.641 175.825 176.519 -0.088 0.000 1.201 386 W CA -1.071 56.246 57.345 -0.048 0.000 1.119 386 W CB 0.672 30.087 29.460 -0.074 0.000 1.478 386 W HN -0.070 nan 8.180 nan 0.000 0.586 387 G N -0.102 108.800 108.800 0.170 0.000 2.576 387 G HA2 0.504 4.464 3.960 -0.000 0.000 0.290 387 G HA3 0.504 4.464 3.960 -0.000 0.000 0.290 387 G C -2.732 172.214 174.900 0.077 0.000 1.442 387 G CA -1.039 43.990 45.100 -0.118 0.000 0.792 387 G HN 0.415 nan 8.290 nan 0.000 0.491 388 Y N 0.240 120.654 120.300 0.188 0.000 2.319 388 Y HA 0.380 4.930 4.550 -0.000 0.000 0.328 388 Y C 1.437 177.425 175.900 0.147 0.000 1.133 388 Y CA -0.246 57.982 58.100 0.214 0.000 1.265 388 Y CB 0.947 39.500 38.460 0.154 0.000 1.218 388 Y HN 0.269 nan 8.280 nan 0.000 0.508 389 I N 4.078 124.829 120.570 0.302 0.000 2.671 389 I HA -0.084 4.086 4.170 -0.000 0.000 0.285 389 I C 0.354 176.576 176.117 0.174 0.000 1.148 389 I CA 0.329 61.752 61.300 0.204 0.000 1.386 389 I CB 0.147 38.263 38.000 0.193 0.000 1.406 389 I HN 0.451 nan 8.210 nan 0.000 0.540 390 K N 6.000 126.476 120.400 0.127 0.000 2.262 390 K HA 0.049 4.369 4.320 -0.000 0.000 0.288 390 K C -0.010 176.635 176.600 0.075 0.000 1.090 390 K CA -0.387 55.957 56.287 0.094 0.000 0.918 390 K CB 0.217 32.760 32.500 0.072 0.000 1.139 390 K HN 0.419 nan 8.250 nan 0.000 0.462 391 D N 4.172 124.616 120.400 0.074 0.000 2.801 391 D HA 0.144 4.784 4.640 -0.000 0.000 0.232 391 D C -0.034 176.292 176.300 0.044 0.000 1.128 391 D CA 0.469 54.503 54.000 0.058 0.000 1.003 391 D CB -0.355 40.483 40.800 0.063 0.000 1.110 391 D HN 0.752 nan 8.370 nan 0.000 0.477 392 G N 3.281 112.105 108.800 0.039 0.000 2.330 392 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.239 392 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.239 392 G C 0.632 175.549 174.900 0.029 0.000 0.818 392 G CA 0.510 45.629 45.100 0.032 0.000 1.189 392 G HN 0.694 nan 8.290 nan 0.000 0.337 393 D N -0.331 120.085 120.400 0.027 0.000 2.304 393 D HA -0.220 4.420 4.640 -0.000 0.000 0.162 393 D C 0.574 176.886 176.300 0.020 0.000 1.458 393 D CA 2.306 56.318 54.000 0.020 0.000 1.334 393 D CB -1.073 39.737 40.800 0.017 0.000 1.250 393 D HN 0.746 nan 8.370 nan 0.000 0.458 394 N N 0.462 119.178 118.700 0.027 0.000 2.438 394 N HA 0.410 5.150 4.740 -0.000 0.000 0.282 394 N C -0.567 174.965 175.510 0.037 0.000 1.037 394 N CA -0.328 52.737 53.050 0.025 0.000 0.942 394 N CB 1.272 39.777 38.487 0.031 0.000 1.136 394 N HN 0.128 nan 8.380 nan 0.000 0.481 395 I N 0.868 121.452 120.570 0.024 0.000 2.353 395 I HA 0.100 4.270 4.170 -0.000 0.000 0.293 395 I C 0.967 177.107 176.117 0.038 0.000 0.992 395 I CA 0.040 61.364 61.300 0.041 0.000 1.268 395 I CB 1.331 39.333 38.000 0.003 0.000 1.387 395 I HN 0.382 nan 8.210 nan 0.000 0.478 396 S N 4.831 120.597 115.700 0.111 0.000 2.707 396 S HA 0.430 4.900 4.470 -0.000 0.000 0.276 396 S C 1.249 175.915 174.600 0.110 0.000 1.179 396 S CA -0.406 57.875 58.200 0.136 0.000 0.992 396 S CB 0.825 64.167 63.200 0.237 0.000 1.030 396 S HN 0.611 nan 8.310 nan 0.000 0.554 397 R N -0.223 120.298 120.500 0.035 0.000 2.200 397 R HA 0.098 4.438 4.340 -0.000 0.000 0.208 397 R C -0.326 175.989 176.300 0.025 0.000 1.033 397 R CA 0.573 56.622 56.100 -0.086 0.000 1.000 397 R CB -0.109 29.999 30.300 -0.320 0.000 0.906 397 R HN 0.539 nan 8.270 nan 0.000 0.462 398 Y N 0.429 120.870 120.300 0.234 0.000 2.319 398 Y HA 0.354 4.904 4.550 -0.000 0.000 0.328 398 Y C 0.623 176.663 175.900 0.234 0.000 1.133 398 Y CA -0.838 57.378 58.100 0.194 0.000 1.265 398 Y CB 0.875 39.401 38.460 0.110 0.000 1.218 398 Y HN 0.006 nan 8.280 nan 0.000 0.508 399 A N 1.931 124.907 122.820 0.259 0.000 2.269 399 A HA 0.963 5.283 4.320 -0.000 0.000 0.327 399 A C -0.845 176.824 177.584 0.141 0.000 1.112 399 A CA -0.168 51.951 52.037 0.136 0.000 0.865 399 A CB 0.859 19.778 19.000 -0.135 0.000 1.227 399 A HN 0.943 nan 8.150 nan 0.000 0.498 400 A N -0.598 122.316 122.820 0.157 0.000 2.577 400 A HA 0.714 5.034 4.320 -0.000 0.000 0.297 400 A C -0.154 177.524 177.584 0.157 0.000 1.060 400 A CA 0.018 52.130 52.037 0.125 0.000 0.697 400 A CB 0.480 19.547 19.000 0.112 0.000 1.281 400 A HN 2.428 nan 8.150 nan 0.000 0.402 401 A N 0.982 123.878 122.820 0.127 0.000 2.483 401 A HA 0.472 4.792 4.320 -0.000 0.000 0.238 401 A C 1.595 179.249 177.584 0.117 0.000 1.070 401 A CA 0.666 52.789 52.037 0.144 0.000 0.770 401 A CB -0.274 18.789 19.000 0.104 0.000 1.008 401 A HN 2.047 nan 8.150 nan 0.000 0.497 402 T N 0.210 114.833 114.554 0.113 0.000 2.746 402 T HA -0.231 4.119 4.350 -0.000 0.000 0.267 402 T C 1.351 176.092 174.700 0.068 0.000 1.039 402 T CA 1.665 63.813 62.100 0.081 0.000 1.142 402 T CB -0.621 68.289 68.868 0.070 0.000 0.866 402 T HN 0.851 nan 8.240 nan 0.000 0.444 403 N N 2.904 121.645 118.700 0.068 0.000 2.309 403 N HA -0.075 4.665 4.740 -0.000 0.000 0.182 403 N C 0.921 176.461 175.510 0.050 0.000 1.018 403 N CA 0.912 53.995 53.050 0.055 0.000 0.876 403 N CB -1.063 37.456 38.487 0.053 0.000 0.972 403 N HN 0.687 nan 8.380 nan 0.000 0.434 404 S N -1.394 114.339 115.700 0.054 0.000 2.560 404 S HA 0.320 4.790 4.470 -0.000 0.000 0.284 404 S C 1.449 176.075 174.600 0.044 0.000 1.327 404 S CA -0.292 57.936 58.200 0.046 0.000 1.055 404 S CB 0.901 64.131 63.200 0.050 0.000 0.868 404 S HN 0.398 nan 8.310 nan 0.000 0.506 405 G N 2.036 110.858 108.800 0.036 0.000 2.615 405 G HA2 0.025 3.985 3.960 -0.000 0.000 0.213 405 G HA3 0.025 3.985 3.960 -0.000 0.000 0.213 405 G C 0.465 175.387 174.900 0.036 0.000 1.135 405 G CA -0.037 45.083 45.100 0.034 0.000 0.772 405 G HN 0.789 nan 8.290 nan 0.000 0.542 406 I N 0.762 121.357 120.570 0.042 0.000 2.634 406 I HA 0.068 4.238 4.170 -0.000 0.000 0.284 406 I C 0.718 176.868 176.117 0.055 0.000 1.124 406 I CA -0.151 61.177 61.300 0.047 0.000 1.417 406 I CB 1.291 39.323 38.000 0.053 0.000 1.396 406 I HN -0.090 nan 8.210 nan 0.000 0.571 407 S N 4.199 119.931 115.700 0.053 0.000 2.455 407 S HA 0.308 4.778 4.470 -0.000 0.000 0.278 407 S C -0.013 174.630 174.600 0.072 0.000 1.216 407 S CA -0.580 57.654 58.200 0.056 0.000 1.055 407 S CB -0.183 63.046 63.200 0.048 0.000 0.939 407 S HN 0.749 nan 8.310 nan 0.000 0.494 408 T N 1.829 116.426 114.554 0.071 0.000 2.907 408 T HA 0.431 4.781 4.350 -0.000 0.000 0.290 408 T C 0.452 175.187 174.700 0.059 0.000 1.066 408 T CA -1.027 61.124 62.100 0.085 0.000 1.012 408 T CB 0.992 69.912 68.868 0.087 0.000 1.184 408 T HN 0.499 nan 8.240 nan 0.000 0.522 409 N N -0.032 118.706 118.700 0.063 0.000 2.362 409 N HA 0.062 4.802 4.740 -0.000 0.000 0.211 409 N C 0.248 175.734 175.510 -0.040 0.000 1.170 409 N CA -0.345 52.719 53.050 0.025 0.000 0.828 409 N CB -0.241 38.277 38.487 0.051 0.000 1.034 409 N HN 0.524 nan 8.380 nan 0.000 0.475 410 S N 0.491 116.161 115.700 -0.050 0.000 2.572 410 S HA 0.167 4.637 4.470 -0.000 0.000 0.279 410 S C 0.949 175.519 174.600 -0.050 0.000 1.341 410 S CA -0.451 57.689 58.200 -0.100 0.000 1.043 410 S CB 0.722 63.882 63.200 -0.067 0.000 0.887 410 S HN 0.415 nan 8.310 nan 0.000 0.516 411 R N 2.810 123.269 120.500 -0.068 0.000 2.334 411 R HA 0.294 4.634 4.340 -0.000 0.000 0.216 411 R C 1.501 177.958 176.300 0.262 0.000 0.905 411 R CA 0.399 56.512 56.100 0.022 0.000 1.064 411 R CB -0.282 29.858 30.300 -0.267 0.000 1.046 411 R HN 0.942 nan 8.270 nan 0.000 0.508 412 G N 1.465 110.370 108.800 0.174 0.000 2.552 412 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.265 412 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.265 412 G C -1.010 174.029 174.900 0.232 0.000 1.234 412 G CA 0.046 45.252 45.100 0.178 0.000 0.944 412 G HN 0.343 nan 8.290 nan 0.000 0.568 413 D N 0.409 120.860 120.400 0.084 0.000 2.414 413 D HA 0.671 5.311 4.640 -0.000 0.000 0.232 413 D C -0.016 176.127 176.300 -0.262 0.000 1.070 413 D CA 0.669 54.628 54.000 -0.068 0.000 0.839 413 D CB 1.215 41.994 40.800 -0.035 0.000 1.079 413 D HN 0.634 nan 8.370 nan 0.000 0.521 414 S N 2.778 118.013 115.700 -0.776 0.000 2.757 414 S HA 0.510 4.980 4.470 -0.000 0.000 0.285 414 S C -1.971 171.787 174.600 -1.402 0.000 1.196 414 S CA -0.601 57.059 58.200 -0.900 0.000 0.856 414 S CB 1.494 64.397 63.200 -0.495 0.000 1.212 414 S HN 0.464 nan 8.310 nan 0.000 0.516 415 D N 0.448 120.236 120.400 -1.020 0.000 2.596 415 D HA 0.800 5.440 4.640 -0.000 0.000 0.234 415 D C -1.503 174.519 176.300 -0.463 0.000 1.181 415 D CA 0.053 53.575 54.000 -0.796 0.000 0.856 415 D CB 2.074 42.708 40.800 -0.276 0.000 1.498 415 D HN 0.394 nan 8.370 nan 0.000 0.446 416 E N 0.428 120.416 120.200 -0.353 0.000 2.389 416 E HA 0.480 4.830 4.350 -0.000 0.000 0.281 416 E C -1.790 174.878 176.600 0.113 0.000 1.072 416 E CA -0.833 55.568 56.400 0.003 0.000 0.845 416 E CB 0.822 30.614 29.700 0.153 0.000 1.239 416 E HN 0.395 nan 8.360 nan 0.000 0.434 417 W N 2.503 123.925 121.300 0.204 0.000 3.138 417 W HA 0.788 5.448 4.660 -0.000 0.000 0.331 417 W C -1.258 175.539 176.519 0.464 0.000 1.166 417 W CA -0.522 57.034 57.345 0.351 0.000 1.212 417 W CB 0.630 30.334 29.460 0.405 0.000 1.399 417 W HN 0.663 nan 8.180 nan 0.000 0.514 418 T N 0.146 115.026 114.554 0.543 0.000 2.864 418 T HA 0.906 5.256 4.350 -0.000 0.000 0.289 418 T C -1.039 173.989 174.700 0.546 0.000 1.082 418 T CA -0.603 61.665 62.100 0.279 0.000 1.009 418 T CB 2.565 71.631 68.868 0.331 0.000 1.234 418 T HN 0.926 nan 8.240 nan 0.000 0.526 419 F N -2.538 117.549 119.950 0.229 0.000 2.744 419 F HA 0.859 5.386 4.527 -0.000 0.000 0.311 419 F C -0.297 175.363 175.800 -0.233 0.000 1.144 419 F CA -0.370 57.612 58.000 -0.031 0.000 0.938 419 F CB 1.127 40.217 39.000 0.150 0.000 1.292 419 F HN 1.169 nan 8.300 nan 0.000 0.444 420 G N 0.013 108.428 108.800 -0.641 0.000 2.336 420 G HA2 0.699 4.659 3.960 -0.000 0.000 0.286 420 G HA3 0.699 4.659 3.960 -0.000 0.000 0.286 420 G C -2.304 172.404 174.900 -0.321 0.000 1.269 420 G CA -0.208 44.737 45.100 -0.258 0.000 0.873 420 G HN 1.652 nan 8.290 nan 0.000 0.494 421 A N -0.827 122.023 122.820 0.050 0.000 2.423 421 A HA 0.957 5.277 4.320 -0.000 0.000 0.304 421 A C -0.485 177.266 177.584 0.279 0.000 1.104 421 A CA -0.227 51.928 52.037 0.198 0.000 0.757 421 A CB 2.193 21.299 19.000 0.177 0.000 1.313 421 A HN 1.072 nan 8.150 nan 0.000 0.423 422 Q N -0.012 119.966 119.800 0.297 0.000 2.527 422 Q HA 0.557 4.897 4.340 -0.000 0.000 0.280 422 Q C -1.965 174.139 176.000 0.173 0.000 0.977 422 Q CA -0.637 55.305 55.803 0.232 0.000 0.837 422 Q CB 1.869 30.778 28.738 0.285 0.000 1.454 422 Q HN 1.058 nan 8.270 nan 0.000 0.387 423 M N 0.528 120.192 119.600 0.107 0.000 2.602 423 M HA 0.713 5.193 4.480 -0.000 0.000 0.312 423 M C -1.246 175.072 176.300 0.030 0.000 1.181 423 M CA -0.325 55.014 55.300 0.065 0.000 0.910 423 M CB 2.085 34.702 32.600 0.028 0.000 1.723 423 M HN 0.502 nan 8.290 nan 0.000 0.459 424 E N 2.176 122.369 120.200 -0.011 0.000 2.331 424 E HA 0.784 5.134 4.350 -0.000 0.000 0.275 424 E C -2.098 174.405 176.600 -0.162 0.000 0.895 424 E CA -0.805 55.549 56.400 -0.077 0.000 0.753 424 E CB 2.396 32.100 29.700 0.008 0.000 1.216 424 E HN 0.952 nan 8.360 nan 0.000 0.434 425 I N 3.523 123.967 120.570 -0.210 0.000 2.842 425 I HA 0.574 4.744 4.170 -0.000 0.000 0.297 425 I C -2.141 174.051 176.117 0.125 0.000 1.380 425 I CA -0.732 60.493 61.300 -0.125 0.000 1.018 425 I CB 1.283 39.287 38.000 0.006 0.000 1.311 425 I HN 0.726 nan 8.210 nan 0.000 0.439 426 W N 5.702 127.173 121.300 0.286 0.000 2.957 426 W HA 0.766 5.426 4.660 -0.000 0.000 0.336 426 W C -1.814 174.873 176.519 0.279 0.000 1.087 426 W CA -1.102 56.384 57.345 0.234 0.000 1.235 426 W CB -0.309 29.271 29.460 0.200 0.000 1.399 426 W HN 0.673 nan 8.180 nan 0.000 0.480 427 W N 0.000 121.452 121.300 0.253 0.000 2.388 427 W HA 0.000 4.660 4.660 0.000 0.000 0.303 427 W CA 0.000 57.446 57.345 0.169 0.000 1.226 427 W CB 0.000 29.466 29.460 0.010 0.000 1.126 427 W HN 0.000 nan 8.180 nan 0.000 0.535