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 3k4p_1_A DATA FIRST_RESID 7 DATA SEQUENCE ScDTVDQGYQ cFSETSHLWG QYAPFFSLAN ESVISPEVPA GcRVTFAQVL DATA SEQUENCE SRHGARYPTD SKGKKYSALI EEIQQNATTF DGKYAFLKTY NYSLGADDLT DATA SEQUENCE PFGEQELVNS GIKFYQRYES LTRNIVPFIR SSGSSRVIAS GKKFIEGFQS DATA SEQUENCE TKLKDPRAQP GQSSPKIDVV ISEASSSNNT LDPGTcTVFE DSELADTVEA DATA SEQUENCE NFTATFVPSI RQRLENDLSG VTLTDTEVTY LMDMcSFDTI STSTVDTKLS DATA SEQUENCE PFcDLFTHDE WINYDYLQSL KKYYGHGAGN PLGPTQGVGY ANELIARLTH DATA SEQUENCE SPVHDDTSSN HTLDSSPATF PLNSTLYADF SHDNGIISIL FALGLYNGTK DATA SEQUENCE PLSTTTVENI TQTDGFSSAW TVPFASRLYV EMMQcQAEQE PLVRVLVNDR DATA SEQUENCE VVPLHGcPVD ALGRcTRDSF VRGLSFARSG GDWAEcFA 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 7 S HA 0.000 nan 4.470 nan 0.000 0.327 7 S C 0.000 174.551 174.600 -0.082 0.000 1.055 7 S CA 0.000 58.175 58.200 -0.041 0.000 1.107 7 S CB 0.000 63.176 63.200 -0.040 0.000 0.593 8 c N 0.893 119.407 118.600 -0.142 0.000 2.906 8 c HA 0.525 5.095 4.570 -0.001 0.000 0.274 8 c C 0.336 174.306 174.090 -0.200 0.000 1.257 8 c CA -0.434 55.768 56.329 -0.212 0.000 1.695 8 c CB -1.039 41.257 42.510 -0.357 0.000 1.958 8 c HN 0.398 nan 8.230 nan 0.000 0.619 9 D N 2.449 122.789 120.400 -0.099 0.000 2.461 9 D HA 0.434 5.073 4.640 -0.001 0.000 0.240 9 D C 0.166 176.520 176.300 0.090 0.000 1.094 9 D CA 0.455 54.480 54.000 0.043 0.000 0.868 9 D CB 1.147 42.055 40.800 0.180 0.000 1.062 9 D HN 0.595 nan 8.370 nan 0.000 0.530 10 T N -0.981 113.630 114.554 0.094 0.000 2.940 10 T HA 0.350 4.699 4.350 -0.001 0.000 0.288 10 T C 1.330 176.104 174.700 0.122 0.000 1.045 10 T CA -0.727 61.425 62.100 0.085 0.000 1.018 10 T CB 1.197 70.097 68.868 0.054 0.000 1.151 10 T HN -0.038 nan 8.240 nan 0.000 0.529 11 V N 0.617 120.588 119.914 0.094 0.000 2.358 11 V HA -0.109 4.010 4.120 -0.001 0.000 0.246 11 V C 2.417 178.596 176.094 0.142 0.000 1.047 11 V CA 1.951 64.313 62.300 0.103 0.000 1.035 11 V CB -0.625 31.234 31.823 0.059 0.000 0.658 11 V HN 0.964 nan 8.190 nan 0.000 0.452 12 D N -1.101 119.368 120.400 0.116 0.000 2.183 12 D HA -0.084 4.556 4.640 -0.001 0.000 0.205 12 D C 2.048 178.449 176.300 0.168 0.000 0.962 12 D CA 0.811 54.886 54.000 0.125 0.000 0.849 12 D CB 0.304 41.147 40.800 0.070 0.000 0.978 12 D HN 0.344 nan 8.370 nan 0.000 0.488 13 Q N -0.231 119.648 119.800 0.131 0.000 2.352 13 Q HA 0.209 4.549 4.340 -0.001 0.000 0.212 13 Q C 1.106 177.142 176.000 0.060 0.000 0.888 13 Q CA 0.342 56.193 55.803 0.080 0.000 0.934 13 Q CB 1.796 30.553 28.738 0.032 0.000 1.093 13 Q HN 0.290 nan 8.270 nan 0.000 0.523 14 G N 1.398 110.310 108.800 0.187 0.000 2.488 14 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.237 14 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.237 14 G C -0.893 174.171 174.900 0.273 0.000 1.209 14 G CA -0.169 45.088 45.100 0.261 0.000 0.929 14 G HN 0.310 nan 8.290 nan 0.000 0.578 15 Y N 2.613 123.029 120.300 0.194 0.000 2.676 15 Y HA 0.588 5.138 4.550 0.001 0.000 0.338 15 Y C 1.478 177.490 175.900 0.185 0.000 1.057 15 Y CA -0.172 58.073 58.100 0.241 0.000 1.314 15 Y CB 0.666 39.357 38.460 0.384 0.000 1.164 15 Y HN 0.367 nan 8.280 nan 0.000 0.509 16 Q N 3.560 123.261 119.800 -0.165 0.000 2.247 16 Q HA 0.158 4.497 4.340 -0.001 0.000 0.204 16 Q C 0.211 175.912 176.000 -0.498 0.000 0.872 16 Q CA 0.004 55.682 55.803 -0.207 0.000 0.951 16 Q CB 0.017 28.682 28.738 -0.122 0.000 1.099 16 Q HN 0.529 nan 8.270 nan 0.000 0.501 17 c N 1.467 119.550 118.600 -0.862 0.000 2.644 17 c HA 0.152 4.721 4.570 -0.001 0.000 0.417 17 c C 0.868 174.518 174.090 -0.735 0.000 1.304 17 c CA -0.471 55.236 56.329 -1.035 0.000 2.035 17 c CB -1.430 40.289 42.510 -1.318 0.000 2.673 17 c HN 0.568 nan 8.230 nan 0.000 0.602 18 F N 1.589 121.360 119.950 -0.298 0.000 3.090 18 F HA -0.246 4.284 4.527 0.004 0.000 0.282 18 F C 1.895 177.456 175.800 -0.397 0.000 0.923 18 F CA 0.923 58.770 58.000 -0.254 0.000 0.977 18 F CB -2.420 36.497 39.000 -0.139 0.000 0.954 18 F HN 0.790 nan 8.300 nan 0.000 0.695 19 S N 0.125 115.563 115.700 -0.436 0.000 2.419 19 S HA -0.231 4.239 4.470 -0.001 0.000 0.233 19 S C 1.866 176.074 174.600 -0.653 0.000 1.016 19 S CA 1.185 58.838 58.200 -0.912 0.000 0.974 19 S CB -0.224 62.359 63.200 -1.029 0.000 0.786 19 S HN 0.674 nan 8.310 nan 0.000 0.492 20 E N 1.305 121.307 120.200 -0.329 0.000 2.347 20 E HA -0.062 4.288 4.350 -0.001 0.000 0.196 20 E C 1.214 177.763 176.600 -0.084 0.000 1.008 20 E CA 1.413 57.727 56.400 -0.144 0.000 0.852 20 E CB -0.914 28.710 29.700 -0.125 0.000 0.783 20 E HN 0.578 nan 8.360 nan 0.000 0.505 21 T N 0.677 115.063 114.554 -0.279 0.000 3.087 21 T HA -0.030 4.319 4.350 -0.001 0.000 0.237 21 T C 1.923 175.985 174.700 -1.064 0.000 0.990 21 T CA 1.142 62.925 62.100 -0.528 0.000 1.160 21 T CB -0.145 68.469 68.868 -0.423 0.000 0.923 21 T HN 0.383 nan 8.240 nan 0.000 0.442 22 S N 1.553 116.592 115.700 -1.103 0.000 2.442 22 S HA -0.161 4.308 4.470 -0.001 0.000 0.236 22 S C 1.561 175.536 174.600 -1.041 0.000 1.007 22 S CA 1.125 58.249 58.200 -1.792 0.000 0.965 22 S CB -0.833 61.981 63.200 -0.643 0.000 0.773 22 S HN 0.657 nan 8.310 nan 0.000 0.504 23 H N 0.372 118.955 119.070 -0.811 0.000 2.548 23 H HA 0.282 4.837 4.556 -0.002 0.000 0.268 23 H C 0.651 175.814 175.328 -0.275 0.000 0.975 23 H CA 0.498 56.143 56.048 -0.672 0.000 1.195 23 H CB 0.070 29.289 29.762 -0.904 0.000 1.397 23 H HN 0.370 nan 8.280 nan 0.000 0.572 24 L N 0.468 121.558 121.223 -0.222 0.000 2.928 24 L HA 0.065 4.404 4.340 -0.001 0.000 0.246 24 L C 0.279 177.338 176.870 0.314 0.000 1.239 24 L CA -0.356 54.519 54.840 0.058 0.000 1.035 24 L CB 0.207 42.333 42.059 0.113 0.000 1.360 24 L HN 0.373 nan 8.230 nan 0.000 0.529 25 W N 1.141 122.572 121.300 0.217 0.000 3.330 25 W HA 0.405 5.063 4.660 -0.003 0.000 0.348 25 W C 1.449 178.105 176.519 0.229 0.000 1.205 25 W CA -0.076 57.474 57.345 0.342 0.000 1.841 25 W CB -0.998 28.576 29.460 0.190 0.000 1.084 25 W HN 0.310 nan 8.180 nan 0.000 0.665 26 G N 2.511 111.487 108.800 0.293 0.000 2.660 26 G HA2 -0.422 3.537 3.960 -0.001 0.000 0.321 26 G HA3 -0.422 3.537 3.960 -0.001 0.000 0.321 26 G C 1.220 176.105 174.900 -0.025 0.000 1.246 26 G CA 1.316 46.454 45.100 0.062 0.000 1.000 26 G HN 0.283 nan 8.290 nan 0.000 0.550 27 Q N 0.618 120.283 119.800 -0.224 0.000 2.444 27 Q HA 0.108 4.448 4.340 -0.001 0.000 0.206 27 Q C 1.579 177.260 176.000 -0.531 0.000 0.948 27 Q CA 1.478 57.080 55.803 -0.334 0.000 0.946 27 Q CB 0.039 28.582 28.738 -0.325 0.000 1.027 27 Q HN 0.779 nan 8.270 nan 0.000 0.513 28 Y N 0.771 120.924 120.300 -0.246 0.000 2.457 28 Y HA 0.492 5.041 4.550 -0.001 0.000 0.263 28 Y C 0.992 176.870 175.900 -0.037 0.000 1.164 28 Y CA -0.972 56.896 58.100 -0.386 0.000 1.274 28 Y CB -0.126 38.253 38.460 -0.135 0.000 1.097 28 Y HN 0.153 nan 8.280 nan 0.000 0.523 29 A N 2.178 125.136 122.820 0.230 0.000 2.331 29 A HA 0.486 4.805 4.320 -0.001 0.000 0.283 29 A C -2.420 175.420 177.584 0.425 0.000 1.142 29 A CA -1.584 50.710 52.037 0.429 0.000 0.812 29 A CB -0.022 19.201 19.000 0.371 0.000 1.074 29 A HN -0.084 nan 8.150 nan 0.000 0.497 30 P HA 0.105 nan 4.420 nan 0.000 0.271 30 P C -0.103 177.497 177.300 0.500 0.000 1.216 30 P CA -0.180 63.254 63.100 0.557 0.000 0.776 30 P CB 0.183 32.086 31.700 0.338 0.000 0.881 31 F N 4.646 124.776 119.950 0.300 0.000 2.568 31 F HA 0.070 4.594 4.527 -0.004 0.000 0.394 31 F C -0.424 175.501 175.800 0.209 0.000 1.032 31 F CA 0.424 58.493 58.000 0.116 0.000 1.242 31 F CB -0.533 38.507 39.000 0.066 0.000 0.966 31 F HN 0.208 nan 8.300 nan 0.000 0.560 32 F N 3.789 123.080 119.950 -1.099 0.000 2.557 32 F HA 0.462 4.987 4.527 -0.003 0.000 0.316 32 F C -0.566 174.460 175.800 -1.290 0.000 1.141 32 F CA -1.340 56.032 58.000 -1.048 0.000 0.922 32 F CB 0.368 38.947 39.000 -0.701 0.000 1.194 32 F HN 0.414 nan 8.300 nan 0.000 0.443 33 S N 3.489 118.582 115.700 -1.011 0.000 2.537 33 S HA 0.286 4.755 4.470 -0.001 0.000 0.286 33 S C 0.429 174.807 174.600 -0.369 0.000 1.299 33 S CA -0.463 57.418 58.200 -0.532 0.000 1.067 33 S CB 0.319 63.462 63.200 -0.096 0.000 0.864 33 S HN 0.795 nan 8.310 nan 0.000 0.494 34 L N 4.728 125.717 121.223 -0.390 0.000 2.728 34 L HA 0.246 4.586 4.340 -0.001 0.000 0.235 34 L C 2.105 178.841 176.870 -0.222 0.000 1.197 34 L CA 0.053 54.640 54.840 -0.422 0.000 0.992 34 L CB -0.640 41.010 42.059 -0.682 0.000 1.263 34 L HN 0.858 nan 8.230 nan 0.000 0.484 35 A N 0.537 123.285 122.820 -0.119 0.000 1.902 35 A HA -0.210 4.109 4.320 -0.001 0.000 0.217 35 A C 1.939 179.499 177.584 -0.040 0.000 1.181 35 A CA 1.723 53.729 52.037 -0.051 0.000 0.623 35 A CB -0.326 18.669 19.000 -0.008 0.000 0.818 35 A HN 0.435 nan 8.150 nan 0.000 0.443 36 N N 0.177 118.852 118.700 -0.041 0.000 2.443 36 N HA -0.081 4.658 4.740 -0.001 0.000 0.184 36 N C 1.142 176.648 175.510 -0.006 0.000 1.037 36 N CA 0.985 54.025 53.050 -0.017 0.000 0.896 36 N CB -0.121 38.360 38.487 -0.010 0.000 0.959 36 N HN 0.502 nan 8.380 nan 0.000 0.442 37 E N -0.406 119.771 120.200 -0.039 0.000 2.474 37 E HA 0.072 4.421 4.350 -0.001 0.000 0.194 37 E C -0.027 176.592 176.600 0.032 0.000 1.041 37 E CA -0.006 56.397 56.400 0.003 0.000 0.874 37 E CB 0.140 29.777 29.700 -0.105 0.000 0.914 37 E HN -0.002 nan 8.360 nan 0.000 0.498 38 S N 0.855 116.555 115.700 0.000 0.000 2.455 38 S HA 0.116 4.586 4.470 -0.001 0.000 0.278 38 S C 1.366 175.987 174.600 0.035 0.000 1.216 38 S CA -0.389 57.824 58.200 0.021 0.000 1.055 38 S CB 0.817 64.019 63.200 0.003 0.000 0.939 38 S HN -0.121 nan 8.310 nan 0.000 0.494 39 V N 6.429 126.373 119.914 0.050 0.000 2.548 39 V HA 0.031 4.150 4.120 -0.001 0.000 0.249 39 V C 0.870 176.980 176.094 0.027 0.000 1.055 39 V CA 1.125 63.450 62.300 0.042 0.000 1.065 39 V CB -0.392 31.462 31.823 0.050 0.000 0.681 39 V HN 0.733 nan 8.190 nan 0.000 0.462 40 I N -0.022 120.562 120.570 0.023 0.000 2.440 40 I HA 0.178 4.348 4.170 -0.001 0.000 0.294 40 I C 0.673 176.797 176.117 0.012 0.000 0.995 40 I CA 0.228 61.536 61.300 0.013 0.000 1.306 40 I CB 1.445 39.449 38.000 0.007 0.000 1.407 40 I HN -0.006 nan 8.210 nan 0.000 0.501 41 S N 6.988 122.693 115.700 0.008 0.000 2.510 41 S HA 0.192 4.661 4.470 -0.001 0.000 0.279 41 S C -1.109 173.496 174.600 0.009 0.000 1.284 41 S CA -1.234 56.970 58.200 0.006 0.000 1.059 41 S CB 0.704 63.905 63.200 0.001 0.000 0.901 41 S HN 0.452 nan 8.310 nan 0.000 0.491 42 P HA -0.027 nan 4.420 nan 0.000 0.221 42 P C 0.012 177.316 177.300 0.008 0.000 1.150 42 P CA 0.499 63.613 63.100 0.023 0.000 0.800 42 P CB -0.000 31.719 31.700 0.032 0.000 0.787 43 E N 0.067 120.262 120.200 -0.008 0.000 2.467 43 E HA 0.039 4.389 4.350 -0.001 0.000 0.264 43 E C -0.083 176.507 176.600 -0.016 0.000 1.020 43 E CA 0.122 56.508 56.400 -0.023 0.000 0.945 43 E CB 0.158 29.843 29.700 -0.024 0.000 0.942 43 E HN -0.108 nan 8.360 nan 0.000 0.449 44 V N 5.407 125.305 119.914 -0.027 0.000 2.529 44 V HA 0.102 4.222 4.120 -0.001 0.000 0.292 44 V C -1.807 174.279 176.094 -0.013 0.000 1.028 44 V CA -1.280 61.011 62.300 -0.015 0.000 1.074 44 V CB 0.167 31.975 31.823 -0.024 0.000 0.958 44 V HN 0.662 nan 8.190 nan 0.000 0.481 45 P HA 0.324 nan 4.420 nan 0.000 0.272 45 P C -0.217 177.077 177.300 -0.009 0.000 1.230 45 P CA -0.242 62.854 63.100 -0.007 0.000 0.788 45 P CB 0.489 32.186 31.700 -0.004 0.000 0.949 46 A N 1.274 124.089 122.820 -0.010 0.000 2.483 46 A HA 0.444 4.764 4.320 -0.001 0.000 0.238 46 A C 1.476 179.056 177.584 -0.007 0.000 1.070 46 A CA 0.650 52.681 52.037 -0.010 0.000 0.770 46 A CB -1.199 17.795 19.000 -0.010 0.000 1.008 46 A HN 0.880 nan 8.150 nan 0.000 0.497 47 G N -0.125 108.671 108.800 -0.007 0.000 2.225 47 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.254 47 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.254 47 G C 0.313 175.211 174.900 -0.003 0.000 0.988 47 G CA 0.348 45.445 45.100 -0.005 0.000 0.625 47 G HN 1.185 nan 8.290 nan 0.000 0.527 48 c N 0.589 119.188 118.600 -0.002 0.000 2.376 48 c HA 0.887 5.456 4.570 -0.001 0.000 0.335 48 c C 0.577 174.669 174.090 0.003 0.000 1.229 48 c CA -0.701 55.629 56.329 0.002 0.000 1.867 48 c CB 1.422 43.934 42.510 0.004 0.000 2.319 48 c HN 0.535 nan 8.230 nan 0.000 0.515 49 R N 1.478 121.985 120.500 0.011 0.000 2.574 49 R HA 0.549 4.889 4.340 -0.001 0.000 0.288 49 R C -1.408 174.913 176.300 0.034 0.000 1.004 49 R CA -0.411 55.698 56.100 0.015 0.000 0.895 49 R CB 1.723 32.028 30.300 0.007 0.000 1.191 49 R HN 0.630 nan 8.270 nan 0.000 0.444 50 V N 3.237 123.180 119.914 0.048 0.000 2.521 50 V HA 0.061 4.181 4.120 -0.001 0.000 0.286 50 V C 1.283 177.420 176.094 0.072 0.000 1.034 50 V CA 0.426 62.775 62.300 0.082 0.000 1.045 50 V CB 1.038 32.944 31.823 0.140 0.000 0.974 50 V HN 1.003 nan 8.190 nan 0.000 0.480 51 T N 0.773 115.387 114.554 0.100 0.000 3.091 51 T HA 0.388 4.738 4.350 -0.001 0.000 0.277 51 T C -0.403 174.416 174.700 0.197 0.000 0.996 51 T CA -0.135 62.032 62.100 0.111 0.000 0.897 51 T CB -0.113 68.818 68.868 0.104 0.000 1.109 51 T HN 0.431 nan 8.240 nan 0.000 0.534 52 F N 1.037 120.988 119.950 0.001 0.000 2.639 52 F HA 0.620 5.146 4.527 -0.000 0.000 0.320 52 F C -2.015 173.739 175.800 -0.077 0.000 1.128 52 F CA -0.936 57.072 58.000 0.013 0.000 1.037 52 F CB 1.155 40.185 39.000 0.050 0.000 1.288 52 F HN 0.202 nan 8.300 nan 0.000 0.463 53 A N 5.532 128.043 122.820 -0.514 0.000 2.402 53 A HA 0.630 4.949 4.320 -0.001 0.000 0.291 53 A C -1.688 175.672 177.584 -0.374 0.000 1.051 53 A CA -0.545 51.211 52.037 -0.468 0.000 0.716 53 A CB 1.635 20.025 19.000 -1.017 0.000 1.223 53 A HN 0.783 nan 8.150 nan 0.000 0.425 54 Q N 1.662 121.374 119.800 -0.147 0.000 2.316 54 Q HA 0.655 4.995 4.340 -0.001 0.000 0.264 54 Q C -1.597 174.461 176.000 0.097 0.000 0.987 54 Q CA -0.565 55.242 55.803 0.007 0.000 0.852 54 Q CB 2.095 30.913 28.738 0.133 0.000 1.287 54 Q HN 0.885 nan 8.270 nan 0.000 0.448 55 V N 5.855 125.729 119.914 -0.067 0.000 2.448 55 V HA 0.552 4.672 4.120 -0.001 0.000 0.295 55 V C -1.560 174.385 176.094 -0.248 0.000 1.025 55 V CA -0.826 61.421 62.300 -0.089 0.000 0.859 55 V CB 1.566 33.180 31.823 -0.349 0.000 0.988 55 V HN 0.816 nan 8.190 nan 0.000 0.431 56 L N 6.415 127.533 121.223 -0.175 0.000 2.287 56 L HA 0.785 5.125 4.340 -0.001 0.000 0.287 56 L C -0.170 176.471 176.870 -0.381 0.000 1.022 56 L CA 0.731 55.398 54.840 -0.288 0.000 0.814 56 L CB 1.645 43.592 42.059 -0.187 0.000 1.217 56 L HN 0.773 nan 8.230 nan 0.000 0.420 57 S N 4.993 120.354 115.700 -0.566 0.000 2.542 57 S HA 0.644 5.114 4.470 -0.001 0.000 0.293 57 S C -0.519 173.917 174.600 -0.274 0.000 1.089 57 S CA -0.815 57.109 58.200 -0.461 0.000 0.961 57 S CB 1.261 64.077 63.200 -0.640 0.000 1.062 57 S HN 0.817 nan 8.310 nan 0.000 0.483 58 R N 1.424 121.829 120.500 -0.159 0.000 2.543 58 R HA 0.387 4.727 4.340 -0.001 0.000 0.268 58 R C 0.082 176.363 176.300 -0.032 0.000 1.067 58 R CA -0.388 55.629 56.100 -0.139 0.000 1.142 58 R CB 0.296 30.489 30.300 -0.179 0.000 1.110 58 R HN 0.922 nan 8.270 nan 0.000 0.549 59 H N -0.450 118.672 119.070 0.086 0.000 2.767 59 H HA 0.307 4.862 4.556 -0.001 0.000 0.380 59 H C 0.444 175.860 175.328 0.146 0.000 1.409 59 H CA -0.162 55.947 56.048 0.102 0.000 1.463 59 H CB 0.119 29.912 29.762 0.051 0.000 1.514 59 H HN 0.681 nan 8.280 nan 0.000 0.619 60 G N -1.105 107.870 108.800 0.291 0.000 2.588 60 G HA2 0.441 4.401 3.960 -0.001 0.000 0.281 60 G HA3 0.441 4.401 3.960 -0.001 0.000 0.281 60 G C -0.392 174.553 174.900 0.076 0.000 1.236 60 G CA -0.663 44.526 45.100 0.149 0.000 0.969 60 G HN 0.988 nan 8.290 nan 0.000 0.504 61 A N -0.275 122.348 122.820 -0.329 0.000 2.584 61 A HA 0.443 4.763 4.320 -0.001 0.000 0.239 61 A C 0.880 178.104 177.584 -0.599 0.000 1.043 61 A CA 0.613 51.965 52.037 -1.141 0.000 0.756 61 A CB -0.190 18.477 19.000 -0.555 0.000 0.963 61 A HN 0.953 nan 8.150 nan 0.000 0.511 62 R N 1.727 121.889 120.500 -0.563 0.000 2.854 62 R HA 0.636 4.976 4.340 -0.001 0.000 0.271 62 R C -1.375 174.938 176.300 0.022 0.000 0.994 62 R CA -0.915 55.093 56.100 -0.154 0.000 0.945 62 R CB 0.600 30.937 30.300 0.063 0.000 1.194 62 R HN 0.474 nan 8.270 nan 0.000 0.476 63 Y N 0.938 121.308 120.300 0.117 0.000 2.607 63 Y HA 0.108 4.658 4.550 -0.000 0.000 0.348 63 Y C -1.758 174.161 175.900 0.032 0.000 1.261 63 Y CA -1.282 56.871 58.100 0.088 0.000 1.480 63 Y CB -0.153 38.317 38.460 0.016 0.000 1.358 63 Y HN 0.492 nan 8.280 nan 0.000 0.630 64 P HA 0.001 nan 4.420 nan 0.000 0.268 64 P C -0.157 177.106 177.300 -0.062 0.000 1.208 64 P CA -0.218 62.686 63.100 -0.326 0.000 0.777 64 P CB 0.293 31.691 31.700 -0.503 0.000 0.875 65 T N -1.534 112.997 114.554 -0.038 0.000 2.802 65 T HA 0.009 4.358 4.350 -0.001 0.000 0.305 65 T C 1.069 175.723 174.700 -0.076 0.000 1.053 65 T CA 0.091 62.185 62.100 -0.011 0.000 1.058 65 T CB 0.244 69.122 68.868 0.016 0.000 0.988 65 T HN 0.318 nan 8.240 nan 0.000 0.539 66 D N 0.672 121.044 120.400 -0.047 0.000 2.092 66 D HA -0.130 4.509 4.640 -0.001 0.000 0.193 66 D C 2.291 178.522 176.300 -0.115 0.000 0.994 66 D CA 1.914 55.876 54.000 -0.065 0.000 0.828 66 D CB -0.452 40.326 40.800 -0.037 0.000 0.963 66 D HN 0.573 nan 8.370 nan 0.000 0.450 67 S N -0.647 114.988 115.700 -0.109 0.000 2.434 67 S HA -0.259 4.210 4.470 -0.001 0.000 0.240 67 S C 1.856 176.290 174.600 -0.275 0.000 1.052 67 S CA 1.791 59.904 58.200 -0.145 0.000 1.198 67 S CB -0.287 62.852 63.200 -0.102 0.000 1.124 67 S HN 0.222 nan 8.310 nan 0.000 0.426 68 K N 0.255 120.432 120.400 -0.371 0.000 2.103 68 K HA -0.060 4.260 4.320 -0.001 0.000 0.207 68 K C 2.251 178.222 176.600 -1.050 0.000 1.048 68 K CA 1.266 57.095 56.287 -0.764 0.000 0.930 68 K CB -1.095 30.963 32.500 -0.737 0.000 0.716 68 K HN 0.534 nan 8.250 nan 0.000 0.444 69 G N 2.327 110.777 108.800 -0.585 0.000 2.408 69 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.217 69 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.217 69 G C 1.525 176.205 174.900 -0.368 0.000 1.150 69 G CA 0.411 45.309 45.100 -0.336 0.000 0.776 69 G HN 0.187 nan 8.290 nan 0.000 0.542 70 K N 0.973 121.200 120.400 -0.289 0.000 1.987 70 K HA -0.146 4.174 4.320 -0.001 0.000 0.216 70 K C 2.474 178.914 176.600 -0.266 0.000 1.051 70 K CA 1.563 57.715 56.287 -0.224 0.000 0.942 70 K CB -0.493 31.910 32.500 -0.162 0.000 0.722 70 K HN 0.277 nan 8.250 nan 0.000 0.444 71 K N -0.009 120.195 120.400 -0.327 0.000 2.020 71 K HA -0.188 4.131 4.320 -0.001 0.000 0.212 71 K C 2.394 178.866 176.600 -0.213 0.000 1.050 71 K CA 1.819 57.940 56.287 -0.277 0.000 0.929 71 K CB -0.443 31.822 32.500 -0.391 0.000 0.714 71 K HN 0.104 nan 8.250 nan 0.000 0.443 72 Y N 1.164 121.240 120.300 -0.374 0.000 2.081 72 Y HA -0.257 4.292 4.550 -0.001 0.000 0.280 72 Y C 2.935 178.605 175.900 -0.384 0.000 1.163 72 Y CA 1.053 58.950 58.100 -0.339 0.000 1.135 72 Y CB -1.257 36.990 38.460 -0.355 0.000 0.970 72 Y HN 0.094 nan 8.280 nan 0.000 0.498 73 S N -0.237 115.153 115.700 -0.517 0.000 2.359 73 S HA -0.240 4.229 4.470 -0.001 0.000 0.224 73 S C 2.361 176.871 174.600 -0.152 0.000 1.035 73 S CA 1.449 59.346 58.200 -0.505 0.000 1.018 73 S CB -0.696 62.165 63.200 -0.565 0.000 0.876 73 S HN 0.463 nan 8.310 nan 0.000 0.448 74 A N 1.546 124.297 122.820 -0.116 0.000 1.883 74 A HA -0.078 4.241 4.320 -0.001 0.000 0.217 74 A C 2.200 179.801 177.584 0.028 0.000 1.186 74 A CA 1.880 53.899 52.037 -0.030 0.000 0.624 74 A CB -1.082 17.901 19.000 -0.028 0.000 0.822 74 A HN 0.602 nan 8.150 nan 0.000 0.444 75 L N -0.001 121.259 121.223 0.061 0.000 2.012 75 L HA -0.131 4.208 4.340 -0.001 0.000 0.210 75 L C 2.167 179.112 176.870 0.125 0.000 1.073 75 L CA 2.016 56.931 54.840 0.124 0.000 0.748 75 L CB -0.552 41.636 42.059 0.216 0.000 0.891 75 L HN 0.427 nan 8.230 nan 0.000 0.431 76 I N -0.589 120.056 120.570 0.126 0.000 2.493 76 I HA -0.201 3.969 4.170 -0.001 0.000 0.254 76 I C 2.339 178.541 176.117 0.142 0.000 1.160 76 I CA 0.863 62.266 61.300 0.171 0.000 1.445 76 I CB -0.470 37.682 38.000 0.253 0.000 1.086 76 I HN 0.342 nan 8.210 nan 0.000 0.433 77 E N 0.953 121.213 120.200 0.100 0.000 2.028 77 E HA -0.229 4.121 4.350 -0.001 0.000 0.191 77 E C 2.050 178.701 176.600 0.085 0.000 0.988 77 E CA 1.231 57.679 56.400 0.081 0.000 0.799 77 E CB -0.169 29.562 29.700 0.052 0.000 0.755 77 E HN 0.549 nan 8.360 nan 0.000 0.447 78 E N 0.653 120.900 120.200 0.080 0.000 2.118 78 E HA -0.193 4.156 4.350 -0.001 0.000 0.195 78 E C 2.173 178.832 176.600 0.097 0.000 0.992 78 E CA 0.837 57.282 56.400 0.076 0.000 0.804 78 E CB -0.160 29.579 29.700 0.065 0.000 0.741 78 E HN 0.267 nan 8.360 nan 0.000 0.458 79 I N 0.941 121.587 120.570 0.127 0.000 2.286 79 I HA -0.304 3.865 4.170 -0.001 0.000 0.248 79 I C 2.381 178.658 176.117 0.267 0.000 1.115 79 I CA 1.281 62.681 61.300 0.168 0.000 1.392 79 I CB -0.163 37.952 38.000 0.192 0.000 1.065 79 I HN 0.109 nan 8.210 nan 0.000 0.418 80 Q N -0.086 119.848 119.800 0.223 0.000 2.187 80 Q HA -0.187 4.153 4.340 -0.001 0.000 0.199 80 Q C 2.186 178.315 176.000 0.215 0.000 0.957 80 Q CA 0.960 56.900 55.803 0.228 0.000 0.857 80 Q CB 0.007 28.773 28.738 0.047 0.000 0.929 80 Q HN 0.544 nan 8.270 nan 0.000 0.453 81 Q N -0.047 119.835 119.800 0.136 0.000 2.172 81 Q HA -0.088 4.251 4.340 -0.001 0.000 0.200 81 Q C 1.204 177.255 176.000 0.085 0.000 0.964 81 Q CA 0.971 56.831 55.803 0.095 0.000 0.855 81 Q CB 0.302 29.078 28.738 0.063 0.000 0.918 81 Q HN 0.327 nan 8.270 nan 0.000 0.444 82 N N -0.301 118.447 118.700 0.079 0.000 2.482 82 N HA 0.109 4.849 4.740 -0.001 0.000 0.179 82 N C -0.175 175.314 175.510 -0.034 0.000 1.039 82 N CA 0.513 53.575 53.050 0.021 0.000 0.884 82 N CB 0.120 38.610 38.487 0.006 0.000 1.113 82 N HN 0.071 nan 8.380 nan 0.000 0.440 83 A N 0.321 123.096 122.820 -0.075 0.000 2.351 83 A HA 0.389 4.708 4.320 -0.001 0.000 0.257 83 A C 1.197 178.549 177.584 -0.387 0.000 1.087 83 A CA 0.254 52.088 52.037 -0.337 0.000 0.798 83 A CB 0.202 18.800 19.000 -0.671 0.000 1.033 83 A HN 0.351 nan 8.150 nan 0.000 0.488 84 T N -2.558 111.766 114.554 -0.384 0.000 2.971 84 T HA 0.205 4.554 4.350 -0.001 0.000 0.252 84 T C 0.416 174.953 174.700 -0.271 0.000 1.022 84 T CA 0.812 62.770 62.100 -0.237 0.000 0.980 84 T CB -0.326 68.458 68.868 -0.139 0.000 1.044 84 T HN 1.077 nan 8.240 nan 0.000 0.501 85 T N 0.837 115.128 114.554 -0.439 0.000 2.963 85 T HA 0.630 4.980 4.350 -0.001 0.000 0.328 85 T C -1.003 173.419 174.700 -0.464 0.000 1.048 85 T CA -0.781 61.123 62.100 -0.327 0.000 1.033 85 T CB -0.089 68.659 68.868 -0.200 0.000 1.010 85 T HN 0.139 nan 8.240 nan 0.000 0.469 86 F N 3.490 123.403 119.950 -0.061 0.000 2.329 86 F HA 0.495 5.022 4.527 -0.001 0.000 0.362 86 F C 0.441 176.250 175.800 0.014 0.000 1.113 86 F CA -0.905 57.073 58.000 -0.037 0.000 1.212 86 F CB 0.117 39.085 39.000 -0.054 0.000 1.509 86 F HN 0.692 nan 8.300 nan 0.000 0.546 87 D N -0.608 119.893 120.400 0.170 0.000 2.636 87 D HA 0.747 5.386 4.640 -0.001 0.000 0.275 87 D C 0.637 177.056 176.300 0.198 0.000 1.130 87 D CA -0.411 53.683 54.000 0.156 0.000 1.031 87 D CB 0.976 41.831 40.800 0.090 0.000 1.451 87 D HN 0.558 nan 8.370 nan 0.000 0.505 88 G N 0.555 109.436 108.800 0.135 0.000 2.596 88 G HA2 -0.400 3.560 3.960 -0.001 0.000 0.295 88 G HA3 -0.400 3.560 3.960 -0.001 0.000 0.295 88 G C 0.785 175.744 174.900 0.097 0.000 1.240 88 G CA 0.871 46.038 45.100 0.113 0.000 0.985 88 G HN 1.000 nan 8.290 nan 0.000 0.555 89 K N 0.130 120.539 120.400 0.015 0.000 2.574 89 K HA 0.037 4.357 4.320 -0.001 0.000 0.193 89 K C 1.768 178.306 176.600 -0.102 0.000 1.035 89 K CA 1.974 58.216 56.287 -0.075 0.000 0.982 89 K CB -0.087 32.291 32.500 -0.204 0.000 0.795 89 K HN 0.598 nan 8.250 nan 0.000 0.491 90 Y N 0.891 121.221 120.300 0.050 0.000 2.500 90 Y HA 0.216 4.766 4.550 0.000 0.000 0.270 90 Y C 2.606 178.424 175.900 -0.137 0.000 1.134 90 Y CA 0.222 58.271 58.100 -0.086 0.000 1.293 90 Y CB 0.023 38.452 38.460 -0.051 0.000 1.063 90 Y HN 0.144 nan 8.280 nan 0.000 0.534 91 A N 1.170 124.076 122.820 0.142 0.000 1.903 91 A HA -0.298 4.022 4.320 -0.001 0.000 0.219 91 A C 2.048 179.629 177.584 -0.005 0.000 1.191 91 A CA 2.197 54.303 52.037 0.114 0.000 0.638 91 A CB -1.579 17.495 19.000 0.123 0.000 0.823 91 A HN 0.655 nan 8.150 nan 0.000 0.451 92 F N -0.440 119.500 119.950 -0.015 0.000 2.236 92 F HA -0.117 4.411 4.527 0.001 0.000 0.302 92 F C 1.613 177.371 175.800 -0.070 0.000 1.073 92 F CA 1.404 59.369 58.000 -0.058 0.000 1.336 92 F CB -0.694 38.240 39.000 -0.111 0.000 1.040 92 F HN 0.120 nan 8.300 nan 0.000 0.507 93 L N 0.449 121.119 121.223 -0.922 0.000 2.275 93 L HA -0.142 4.198 4.340 -0.001 0.000 0.215 93 L C 2.726 179.270 176.870 -0.543 0.000 1.119 93 L CA 1.288 55.729 54.840 -0.664 0.000 0.790 93 L CB -0.602 41.127 42.059 -0.551 0.000 0.919 93 L HN 0.253 nan 8.230 nan 0.000 0.443 94 K N 0.059 119.998 120.400 -0.769 0.000 2.020 94 K HA -0.215 4.105 4.320 -0.001 0.000 0.212 94 K C 1.822 178.151 176.600 -0.451 0.000 1.050 94 K CA 2.208 57.872 56.287 -1.039 0.000 0.929 94 K CB -0.015 32.069 32.500 -0.694 0.000 0.714 94 K HN 0.379 nan 8.250 nan 0.000 0.443 95 T N -2.805 111.624 114.554 -0.209 0.000 3.014 95 T HA 0.022 4.371 4.350 -0.001 0.000 0.250 95 T C 0.519 175.222 174.700 0.005 0.000 1.060 95 T CA -0.488 61.563 62.100 -0.082 0.000 1.040 95 T CB -0.388 68.451 68.868 -0.048 0.000 0.971 95 T HN 0.229 nan 8.240 nan 0.000 0.497 96 Y N 3.569 123.846 120.300 -0.038 0.000 2.944 96 Y HA 0.088 4.637 4.550 -0.002 0.000 0.340 96 Y C 0.196 176.154 175.900 0.096 0.000 1.275 96 Y CA 0.018 58.160 58.100 0.071 0.000 1.590 96 Y CB 0.094 38.642 38.460 0.146 0.000 1.218 96 Y HN 0.140 nan 8.280 nan 0.000 0.576 97 N N 6.371 124.760 118.700 -0.518 0.000 2.776 97 N HA 0.047 4.786 4.740 -0.001 0.000 0.245 97 N C -1.751 173.585 175.510 -0.289 0.000 1.121 97 N CA -0.588 52.314 53.050 -0.246 0.000 0.852 97 N CB -0.219 38.165 38.487 -0.171 0.000 1.142 97 N HN 0.597 nan 8.380 nan 0.000 0.514 98 Y N 2.342 122.568 120.300 -0.124 0.000 2.745 98 Y HA 0.003 4.553 4.550 0.001 0.000 0.335 98 Y C 0.969 176.859 175.900 -0.017 0.000 1.212 98 Y CA 1.013 59.147 58.100 0.056 0.000 1.535 98 Y CB 0.418 39.025 38.460 0.245 0.000 1.220 98 Y HN 0.514 nan 8.280 nan 0.000 0.531 99 S N 4.044 119.556 115.700 -0.313 0.000 2.649 99 S HA 0.224 4.693 4.470 -0.001 0.000 0.246 99 S C 0.143 174.535 174.600 -0.347 0.000 1.057 99 S CA -0.481 57.579 58.200 -0.234 0.000 1.051 99 S CB -0.204 62.898 63.200 -0.164 0.000 1.018 99 S HN 0.542 nan 8.310 nan 0.000 0.569 100 L N 2.602 123.475 121.223 -0.583 0.000 2.613 100 L HA 0.091 4.430 4.340 -0.001 0.000 0.304 100 L C 1.475 178.014 176.870 -0.552 0.000 1.266 100 L CA 0.351 54.897 54.840 -0.491 0.000 0.868 100 L CB -0.387 41.378 42.059 -0.490 0.000 1.111 100 L HN 0.397 nan 8.230 nan 0.000 0.515 101 G N 1.382 109.480 108.800 -1.169 0.000 2.516 101 G HA2 0.578 4.537 3.960 -0.001 0.000 0.276 101 G HA3 0.578 4.537 3.960 -0.001 0.000 0.276 101 G C -0.724 173.816 174.900 -0.601 0.000 1.390 101 G CA 0.128 44.480 45.100 -1.247 0.000 1.050 101 G HN 0.911 nan 8.290 nan 0.000 0.519 102 A N -1.501 121.166 122.820 -0.256 0.000 2.437 102 A HA 0.607 4.927 4.320 -0.001 0.000 0.293 102 A C 0.201 177.845 177.584 0.101 0.000 1.038 102 A CA 0.319 52.355 52.037 -0.001 0.000 0.708 102 A CB 0.942 19.920 19.000 -0.035 0.000 1.251 102 A HN 0.764 nan 8.150 nan 0.000 0.409 103 D N 0.045 120.529 120.400 0.139 0.000 2.719 103 D HA -0.165 4.474 4.640 -0.001 0.000 0.170 103 D C -0.144 176.233 176.300 0.128 0.000 1.631 103 D CA 2.299 56.369 54.000 0.117 0.000 1.883 103 D CB -0.931 39.910 40.800 0.069 0.000 1.378 103 D HN 0.703 nan 8.370 nan 0.000 0.448 104 D N 0.909 121.434 120.400 0.208 0.000 2.357 104 D HA 0.303 4.943 4.640 -0.001 0.000 0.242 104 D C 0.651 176.987 176.300 0.060 0.000 1.153 104 D CA -0.431 53.667 54.000 0.162 0.000 0.918 104 D CB 0.486 41.424 40.800 0.231 0.000 1.181 104 D HN -0.015 nan 8.370 nan 0.000 0.435 105 L N 1.055 122.262 121.223 -0.027 0.000 2.483 105 L HA 0.106 4.445 4.340 -0.001 0.000 0.276 105 L C 1.135 177.865 176.870 -0.233 0.000 1.213 105 L CA 0.400 55.170 54.840 -0.117 0.000 0.843 105 L CB 0.223 42.243 42.059 -0.065 0.000 1.107 105 L HN 0.513 nan 8.230 nan 0.000 0.487 106 T N 0.841 115.174 114.554 -0.368 0.000 2.927 106 T HA 0.431 4.780 4.350 -0.001 0.000 0.281 106 T C -1.913 172.720 174.700 -0.112 0.000 0.998 106 T CA -1.709 60.142 62.100 -0.414 0.000 1.019 106 T CB 1.191 69.765 68.868 -0.491 0.000 1.061 106 T HN 0.417 nan 8.240 nan 0.000 0.518 107 P HA -0.093 nan 4.420 nan 0.000 0.214 107 P C 1.300 178.635 177.300 0.059 0.000 1.163 107 P CA 0.911 64.035 63.100 0.041 0.000 0.889 107 P CB -0.198 31.552 31.700 0.084 0.000 0.790 108 F N 0.714 120.640 119.950 -0.040 0.000 2.065 108 F HA -0.191 4.332 4.527 -0.006 0.000 0.298 108 F C 2.297 178.077 175.800 -0.034 0.000 1.112 108 F CA 2.341 60.330 58.000 -0.017 0.000 1.212 108 F CB -1.244 37.742 39.000 -0.022 0.000 0.975 108 F HN -0.112 nan 8.300 nan 0.000 0.476 109 G N -0.548 108.194 108.800 -0.097 0.000 2.469 109 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.220 109 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.220 109 G C 1.531 176.338 174.900 -0.154 0.000 1.136 109 G CA 1.089 46.077 45.100 -0.187 0.000 0.759 109 G HN 0.502 nan 8.290 nan 0.000 0.562 110 E N -0.443 119.691 120.200 -0.110 0.000 2.028 110 E HA -0.156 4.194 4.350 -0.001 0.000 0.191 110 E C 2.508 179.060 176.600 -0.080 0.000 0.988 110 E CA 1.181 57.540 56.400 -0.068 0.000 0.799 110 E CB -0.147 29.530 29.700 -0.038 0.000 0.755 110 E HN 0.410 nan 8.360 nan 0.000 0.447 111 Q N 1.348 121.080 119.800 -0.113 0.000 2.135 111 Q HA -0.204 4.135 4.340 -0.001 0.000 0.204 111 Q C 1.639 177.552 176.000 -0.144 0.000 0.981 111 Q CA 1.574 57.312 55.803 -0.109 0.000 0.856 111 Q CB -0.024 28.659 28.738 -0.090 0.000 0.902 111 Q HN 0.256 nan 8.270 nan 0.000 0.425 112 E N -0.741 119.301 120.200 -0.264 0.000 2.097 112 E HA -0.189 4.160 4.350 -0.001 0.000 0.196 112 E C 1.555 178.124 176.600 -0.052 0.000 1.000 112 E CA 1.158 57.445 56.400 -0.189 0.000 0.804 112 E CB -0.061 29.504 29.700 -0.226 0.000 0.740 112 E HN 0.344 nan 8.360 nan 0.000 0.454 113 L N 0.234 121.449 121.223 -0.012 0.000 2.341 113 L HA -0.048 4.291 4.340 -0.001 0.000 0.214 113 L C 2.267 179.188 176.870 0.084 0.000 1.115 113 L CA 0.553 55.454 54.840 0.102 0.000 0.820 113 L CB -0.273 41.868 42.059 0.136 0.000 0.944 113 L HN 0.098 nan 8.230 nan 0.000 0.452 114 V N 0.498 120.418 119.914 0.010 0.000 2.270 114 V HA -0.267 3.853 4.120 -0.001 0.000 0.245 114 V C 2.253 178.324 176.094 -0.039 0.000 1.043 114 V CA 1.674 63.964 62.300 -0.018 0.000 1.014 114 V CB -0.556 31.254 31.823 -0.022 0.000 0.645 114 V HN 0.454 nan 8.190 nan 0.000 0.447 115 N N 0.076 118.762 118.700 -0.024 0.000 2.104 115 N HA -0.166 4.573 4.740 -0.001 0.000 0.190 115 N C 2.107 177.611 175.510 -0.009 0.000 1.024 115 N CA 1.796 54.841 53.050 -0.008 0.000 0.853 115 N CB -0.666 37.832 38.487 0.018 0.000 1.008 115 N HN 0.433 nan 8.380 nan 0.000 0.424 116 S N -0.264 115.431 115.700 -0.009 0.000 2.383 116 S HA -0.071 4.398 4.470 -0.001 0.000 0.229 116 S C 1.974 176.507 174.600 -0.113 0.000 1.030 116 S CA 1.562 59.782 58.200 0.033 0.000 1.002 116 S CB -0.643 62.651 63.200 0.156 0.000 0.829 116 S HN 0.481 nan 8.310 nan 0.000 0.467 117 G N 1.367 109.909 108.800 -0.431 0.000 2.404 117 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.215 117 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.215 117 G C 1.404 176.174 174.900 -0.217 0.000 1.174 117 G CA 0.867 45.456 45.100 -0.852 0.000 0.780 117 G HN 0.568 nan 8.290 nan 0.000 0.537 118 I N 0.550 121.057 120.570 -0.105 0.000 2.127 118 I HA -0.186 3.983 4.170 -0.001 0.000 0.241 118 I C 2.682 178.819 176.117 0.034 0.000 1.075 118 I CA 1.694 62.975 61.300 -0.032 0.000 1.334 118 I CB -0.226 37.755 38.000 -0.031 0.000 1.040 118 I HN 0.146 nan 8.210 nan 0.000 0.405 119 K N 0.778 121.207 120.400 0.049 0.000 2.063 119 K HA -0.257 4.062 4.320 -0.001 0.000 0.208 119 K C 2.193 178.870 176.600 0.128 0.000 1.048 119 K CA 1.820 58.162 56.287 0.092 0.000 0.928 119 K CB -0.304 32.278 32.500 0.135 0.000 0.713 119 K HN 0.154 nan 8.250 nan 0.000 0.442 120 F N 0.347 120.335 119.950 0.063 0.000 2.186 120 F HA -0.182 4.343 4.527 -0.002 0.000 0.299 120 F C 2.006 177.884 175.800 0.130 0.000 1.090 120 F CA 1.396 59.488 58.000 0.152 0.000 1.307 120 F CB -0.526 38.694 39.000 0.367 0.000 1.019 120 F HN 0.145 nan 8.300 nan 0.000 0.489 121 Y N 1.179 121.481 120.300 0.003 0.000 2.081 121 Y HA -0.330 4.219 4.550 -0.002 0.000 0.280 121 Y C 2.487 178.206 175.900 -0.301 0.000 1.163 121 Y CA 2.446 60.354 58.100 -0.319 0.000 1.135 121 Y CB -0.495 37.639 38.460 -0.544 0.000 0.970 121 Y HN 0.191 nan 8.280 nan 0.000 0.498 122 Q N -0.346 119.340 119.800 -0.189 0.000 2.083 122 Q HA -0.189 4.150 4.340 -0.001 0.000 0.198 122 Q C 2.413 178.197 176.000 -0.359 0.000 0.969 122 Q CA 1.396 57.064 55.803 -0.225 0.000 0.838 122 Q CB -0.359 28.332 28.738 -0.079 0.000 0.900 122 Q HN 0.462 nan 8.270 nan 0.000 0.436 123 R N 0.195 120.431 120.500 -0.439 0.000 2.105 123 R HA -0.161 4.179 4.340 -0.001 0.000 0.239 123 R C 0.460 176.191 176.300 -0.949 0.000 1.135 123 R CA 1.337 57.009 56.100 -0.713 0.000 0.967 123 R CB 0.131 29.867 30.300 -0.940 0.000 0.861 123 R HN 0.258 nan 8.270 nan 0.000 0.442 124 Y N -0.065 119.924 120.300 -0.518 0.000 2.720 124 Y HA 0.203 4.753 4.550 0.000 0.000 0.268 124 Y C 1.240 176.833 175.900 -0.511 0.000 1.142 124 Y CA -0.622 57.175 58.100 -0.505 0.000 1.193 124 Y CB 0.362 38.432 38.460 -0.649 0.000 1.176 124 Y HN 0.055 nan 8.280 nan 0.000 0.542 125 E N 1.172 121.088 120.200 -0.474 0.000 2.164 125 E HA -0.289 4.060 4.350 -0.001 0.000 0.206 125 E C 2.042 178.436 176.600 -0.343 0.000 1.032 125 E CA 2.063 58.130 56.400 -0.556 0.000 0.832 125 E CB 0.037 29.503 29.700 -0.390 0.000 0.742 125 E HN 0.481 nan 8.360 nan 0.000 0.460 126 S N -0.989 114.581 115.700 -0.216 0.000 2.603 126 S HA 0.002 4.471 4.470 -0.001 0.000 0.229 126 S C 1.855 176.389 174.600 -0.109 0.000 0.972 126 S CA 0.401 58.520 58.200 -0.135 0.000 0.935 126 S CB -0.060 63.084 63.200 -0.094 0.000 0.769 126 S HN 0.299 nan 8.310 nan 0.000 0.536 127 L N 0.540 121.682 121.223 -0.136 0.000 2.653 127 L HA 0.172 4.511 4.340 -0.001 0.000 0.230 127 L C 2.562 179.378 176.870 -0.090 0.000 1.055 127 L CA 0.777 55.561 54.840 -0.095 0.000 0.880 127 L CB -0.490 41.521 42.059 -0.081 0.000 1.195 127 L HN 0.410 nan 8.230 nan 0.000 0.492 128 T N -1.888 112.545 114.554 -0.202 0.000 3.085 128 T HA -0.106 4.244 4.350 -0.001 0.000 0.263 128 T C 1.853 176.519 174.700 -0.056 0.000 1.127 128 T CA 0.422 62.431 62.100 -0.151 0.000 1.103 128 T CB -0.265 68.274 68.868 -0.549 0.000 0.921 128 T HN 0.366 nan 8.240 nan 0.000 0.510 129 R N 2.341 122.773 120.500 -0.113 0.000 2.189 129 R HA 0.001 4.341 4.340 -0.001 0.000 0.218 129 R C 1.115 177.456 176.300 0.069 0.000 1.074 129 R CA 1.560 57.681 56.100 0.034 0.000 0.991 129 R CB -0.449 29.842 30.300 -0.015 0.000 0.883 129 R HN 0.608 nan 8.270 nan 0.000 0.457 130 N N -0.049 118.681 118.700 0.049 0.000 2.110 130 N HA 0.168 4.907 4.740 -0.001 0.000 0.230 130 N C -0.652 174.888 175.510 0.051 0.000 1.353 130 N CA -0.399 52.682 53.050 0.051 0.000 0.807 130 N CB 0.215 38.716 38.487 0.023 0.000 1.244 130 N HN 0.152 nan 8.380 nan 0.000 0.504 131 I N 0.954 121.567 120.570 0.071 0.000 2.436 131 I HA 0.358 4.527 4.170 -0.001 0.000 0.289 131 I C -0.559 175.625 176.117 0.111 0.000 1.010 131 I CA -1.129 60.204 61.300 0.054 0.000 1.098 131 I CB 2.733 40.737 38.000 0.006 0.000 1.266 131 I HN -0.252 nan 8.210 nan 0.000 0.434 132 V N 8.256 128.212 119.914 0.069 0.000 2.408 132 V HA 0.261 4.380 4.120 -0.001 0.000 0.267 132 V C -2.004 174.079 176.094 -0.017 0.000 1.047 132 V CA -1.478 60.858 62.300 0.061 0.000 0.937 132 V CB 0.516 32.366 31.823 0.046 0.000 0.999 132 V HN 0.564 nan 8.190 nan 0.000 0.472 133 P HA 0.149 nan 4.420 nan 0.000 0.271 133 P C -0.708 176.516 177.300 -0.127 0.000 1.216 133 P CA -0.287 62.737 63.100 -0.127 0.000 0.776 133 P CB 0.358 31.992 31.700 -0.109 0.000 0.881 134 F N 3.587 123.329 119.950 -0.347 0.000 2.420 134 F HA 0.421 4.947 4.527 -0.000 0.000 0.352 134 F C -0.222 175.529 175.800 -0.082 0.000 1.108 134 F CA -0.240 57.629 58.000 -0.220 0.000 1.162 134 F CB 0.190 39.034 39.000 -0.260 0.000 1.118 134 F HN 0.126 nan 8.300 nan 0.000 0.510 135 I N 7.398 127.540 120.570 -0.713 0.000 2.418 135 I HA 0.437 4.606 4.170 -0.001 0.000 0.287 135 I C -0.471 175.410 176.117 -0.394 0.000 1.008 135 I CA -0.754 60.313 61.300 -0.388 0.000 1.104 135 I CB 1.728 39.578 38.000 -0.251 0.000 1.264 135 I HN 0.556 nan 8.210 nan 0.000 0.438 136 R N 3.325 123.754 120.500 -0.118 0.000 2.778 136 R HA 0.733 5.072 4.340 -0.001 0.000 0.277 136 R C -0.859 175.495 176.300 0.089 0.000 0.977 136 R CA -0.824 55.267 56.100 -0.015 0.000 0.950 136 R CB 2.438 32.802 30.300 0.107 0.000 1.165 136 R HN 0.544 nan 8.270 nan 0.000 0.474 137 S N 0.328 116.068 115.700 0.068 0.000 2.572 137 S HA 0.201 4.671 4.470 -0.001 0.000 0.274 137 S C -0.721 173.924 174.600 0.074 0.000 1.150 137 S CA -0.485 57.768 58.200 0.088 0.000 0.944 137 S CB 1.702 64.905 63.200 0.005 0.000 1.071 137 S HN 0.564 nan 8.310 nan 0.000 0.479 138 S N 2.729 118.481 115.700 0.085 0.000 2.569 138 S HA 0.391 4.861 4.470 -0.001 0.000 0.274 138 S C 0.740 175.388 174.600 0.080 0.000 1.353 138 S CA 0.300 58.558 58.200 0.097 0.000 1.023 138 S CB 0.100 63.374 63.200 0.124 0.000 0.876 138 S HN 0.994 nan 8.310 nan 0.000 0.540 139 G N 1.840 110.699 108.800 0.098 0.000 2.807 139 G HA2 0.469 4.428 3.960 -0.001 0.000 0.316 139 G HA3 0.469 4.428 3.960 -0.001 0.000 0.316 139 G C -0.528 174.430 174.900 0.097 0.000 0.900 139 G CA -0.252 44.894 45.100 0.077 0.000 1.499 139 G HN 0.686 nan 8.290 nan 0.000 0.484 140 S N 1.317 117.064 115.700 0.078 0.000 2.566 140 S HA 0.423 4.893 4.470 -0.001 0.000 0.273 140 S C 1.374 175.991 174.600 0.028 0.000 1.157 140 S CA -0.165 58.089 58.200 0.089 0.000 0.938 140 S CB 1.390 64.705 63.200 0.191 0.000 1.087 140 S HN 0.339 nan 8.310 nan 0.000 0.474 141 S N 4.236 119.949 115.700 0.022 0.000 2.381 141 S HA -0.267 4.203 4.470 -0.001 0.000 0.230 141 S C 2.013 176.595 174.600 -0.029 0.000 1.052 141 S CA 2.026 60.225 58.200 -0.002 0.000 1.068 141 S CB -0.583 62.621 63.200 0.006 0.000 0.918 141 S HN 0.895 nan 8.310 nan 0.000 0.448 142 R N 1.060 121.528 120.500 -0.052 0.000 2.152 142 R HA 0.002 4.341 4.340 -0.001 0.000 0.232 142 R C 1.881 178.134 176.300 -0.079 0.000 1.117 142 R CA 1.319 57.354 56.100 -0.108 0.000 0.981 142 R CB -0.772 29.379 30.300 -0.248 0.000 0.870 142 R HN 0.331 nan 8.270 nan 0.000 0.451 143 V N 1.759 121.631 119.914 -0.068 0.000 2.302 143 V HA -0.146 3.973 4.120 -0.001 0.000 0.243 143 V C 2.499 178.544 176.094 -0.082 0.000 1.036 143 V CA 1.431 63.714 62.300 -0.029 0.000 1.020 143 V CB -0.401 31.373 31.823 -0.082 0.000 0.657 143 V HN 0.207 nan 8.190 nan 0.000 0.453 144 I N 0.871 121.390 120.570 -0.084 0.000 2.113 144 I HA -0.345 3.824 4.170 -0.001 0.000 0.242 144 I C 2.718 178.742 176.117 -0.154 0.000 1.064 144 I CA 1.931 63.159 61.300 -0.120 0.000 1.320 144 I CB -0.626 37.334 38.000 -0.067 0.000 1.028 144 I HN 0.319 nan 8.210 nan 0.000 0.406 145 A N -0.268 122.490 122.820 -0.104 0.000 1.908 145 A HA -0.221 4.098 4.320 -0.001 0.000 0.218 145 A C 2.473 179.983 177.584 -0.124 0.000 1.181 145 A CA 2.351 54.332 52.037 -0.094 0.000 0.627 145 A CB -0.765 18.202 19.000 -0.055 0.000 0.818 145 A HN 0.412 nan 8.150 nan 0.000 0.445 146 S N -0.560 115.066 115.700 -0.123 0.000 2.368 146 S HA -0.025 4.444 4.470 -0.001 0.000 0.224 146 S C 2.121 176.506 174.600 -0.358 0.000 1.029 146 S CA 1.031 59.165 58.200 -0.109 0.000 0.988 146 S CB -0.734 62.486 63.200 0.034 0.000 0.838 146 S HN 0.791 nan 8.310 nan 0.000 0.462 147 G N 1.870 110.193 108.800 -0.794 0.000 2.529 147 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.219 147 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.219 147 G C 1.384 175.888 174.900 -0.660 0.000 1.177 147 G CA 1.108 45.286 45.100 -1.537 0.000 0.773 147 G HN 0.454 nan 8.290 nan 0.000 0.573 148 K N 0.036 120.226 120.400 -0.350 0.000 2.148 148 K HA 0.018 4.337 4.320 -0.001 0.000 0.204 148 K C 2.520 179.074 176.600 -0.076 0.000 1.050 148 K CA 0.744 56.930 56.287 -0.168 0.000 0.942 148 K CB -0.020 32.405 32.500 -0.125 0.000 0.724 148 K HN 0.100 nan 8.250 nan 0.000 0.446 149 K N 0.192 120.554 120.400 -0.064 0.000 2.217 149 K HA -0.094 4.226 4.320 -0.001 0.000 0.202 149 K C 1.880 178.523 176.600 0.071 0.000 1.051 149 K CA 0.810 57.095 56.287 -0.002 0.000 0.952 149 K CB -0.154 32.342 32.500 -0.006 0.000 0.736 149 K HN 0.127 nan 8.250 nan 0.000 0.453 150 F N 1.774 121.677 119.950 -0.078 0.000 2.113 150 F HA -0.070 4.458 4.527 0.003 0.000 0.297 150 F C 1.964 177.801 175.800 0.060 0.000 1.103 150 F CA 0.976 58.998 58.000 0.036 0.000 1.248 150 F CB -0.277 38.804 39.000 0.136 0.000 0.999 150 F HN -0.169 nan 8.300 nan 0.000 0.475 151 I N 0.303 121.056 120.570 0.305 0.000 2.286 151 I HA -0.264 3.905 4.170 -0.001 0.000 0.248 151 I C 2.480 178.672 176.117 0.124 0.000 1.115 151 I CA 1.540 62.952 61.300 0.187 0.000 1.392 151 I CB -0.542 37.484 38.000 0.043 0.000 1.065 151 I HN 0.270 nan 8.210 nan 0.000 0.418 152 E N 0.846 121.084 120.200 0.064 0.000 2.049 152 E HA -0.234 4.115 4.350 -0.001 0.000 0.198 152 E C 2.261 178.873 176.600 0.020 0.000 1.007 152 E CA 1.574 57.993 56.400 0.031 0.000 0.809 152 E CB -0.267 29.438 29.700 0.007 0.000 0.749 152 E HN 0.540 nan 8.360 nan 0.000 0.450 153 G N 0.147 108.947 108.800 0.000 0.000 2.402 153 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.216 153 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.216 153 G C 1.359 176.235 174.900 -0.040 0.000 1.162 153 G CA 0.530 45.606 45.100 -0.040 0.000 0.777 153 G HN 0.340 nan 8.290 nan 0.000 0.539 154 F N 1.341 121.182 119.950 -0.181 0.000 2.091 154 F HA -0.190 4.337 4.527 0.000 0.000 0.299 154 F C 2.771 178.463 175.800 -0.179 0.000 1.103 154 F CA 2.268 60.197 58.000 -0.117 0.000 1.228 154 F CB -0.124 38.879 39.000 0.005 0.000 0.984 154 F HN 0.241 nan 8.300 nan 0.000 0.477 155 Q N 0.107 120.015 119.800 0.181 0.000 2.167 155 Q HA -0.113 4.226 4.340 -0.001 0.000 0.202 155 Q C 2.209 178.137 176.000 -0.119 0.000 0.970 155 Q CA 1.984 57.821 55.803 0.055 0.000 0.855 155 Q CB -0.498 28.299 28.738 0.098 0.000 0.911 155 Q HN 0.372 nan 8.270 nan 0.000 0.438 156 S N -0.775 114.854 115.700 -0.119 0.000 2.402 156 S HA -0.099 4.371 4.470 -0.001 0.000 0.229 156 S C 1.721 176.179 174.600 -0.237 0.000 1.021 156 S CA 1.480 59.594 58.200 -0.143 0.000 0.974 156 S CB -0.270 62.873 63.200 -0.095 0.000 0.800 156 S HN 0.551 nan 8.310 nan 0.000 0.484 157 T N 1.458 115.786 114.554 -0.377 0.000 2.896 157 T HA 0.025 4.375 4.350 -0.001 0.000 0.263 157 T C 1.774 175.985 174.700 -0.814 0.000 1.050 157 T CA 0.816 62.604 62.100 -0.520 0.000 1.140 157 T CB -0.093 68.444 68.868 -0.551 0.000 0.877 157 T HN 0.337 nan 8.240 nan 0.000 0.457 158 K N 1.004 120.732 120.400 -1.119 0.000 2.063 158 K HA -0.009 4.311 4.320 -0.001 0.000 0.208 158 K C 2.125 178.521 176.600 -0.341 0.000 1.048 158 K CA 1.076 56.835 56.287 -0.879 0.000 0.928 158 K CB -0.312 31.841 32.500 -0.578 0.000 0.713 158 K HN 0.281 nan 8.250 nan 0.000 0.442 159 L N 0.568 121.640 121.223 -0.250 0.000 2.275 159 L HA -0.130 4.209 4.340 -0.001 0.000 0.215 159 L C 1.801 178.599 176.870 -0.120 0.000 1.119 159 L CA 1.118 55.876 54.840 -0.138 0.000 0.790 159 L CB -0.079 41.919 42.059 -0.102 0.000 0.919 159 L HN 0.105 nan 8.230 nan 0.000 0.443 160 K N -0.612 119.696 120.400 -0.153 0.000 2.417 160 K HA 0.018 4.337 4.320 -0.001 0.000 0.196 160 K C -0.130 176.424 176.600 -0.077 0.000 1.023 160 K CA -0.059 56.167 56.287 -0.102 0.000 1.122 160 K CB 0.075 32.517 32.500 -0.097 0.000 0.850 160 K HN 0.050 nan 8.250 nan 0.000 0.521 161 D N 1.350 121.702 120.400 -0.079 0.000 2.392 161 D HA 0.091 4.731 4.640 -0.001 0.000 0.228 161 D C -1.515 174.782 176.300 -0.005 0.000 1.074 161 D CA -2.507 51.483 54.000 -0.016 0.000 0.838 161 D CB 1.563 42.402 40.800 0.065 0.000 1.067 161 D HN -0.134 nan 8.370 nan 0.000 0.511 162 P HA -0.120 nan 4.420 nan 0.000 0.221 162 P C 0.606 177.904 177.300 -0.002 0.000 1.145 162 P CA 0.726 63.821 63.100 -0.009 0.000 0.795 162 P CB 0.336 32.029 31.700 -0.012 0.000 0.775 163 R N -0.423 120.080 120.500 0.005 0.000 2.317 163 R HA 0.344 4.683 4.340 -0.001 0.000 0.208 163 R C 1.035 177.344 176.300 0.015 0.000 0.914 163 R CA -0.192 55.909 56.100 0.003 0.000 1.060 163 R CB -0.066 30.229 30.300 -0.009 0.000 1.015 163 R HN 0.107 nan 8.270 nan 0.000 0.498 164 A N 1.665 124.504 122.820 0.030 0.000 2.445 164 A HA 0.005 4.325 4.320 -0.001 0.000 0.242 164 A C -0.157 177.443 177.584 0.026 0.000 1.075 164 A CA -0.194 51.869 52.037 0.045 0.000 0.777 164 A CB 0.289 19.316 19.000 0.045 0.000 1.013 164 A HN 0.265 nan 8.150 nan 0.000 0.493 165 Q N 2.842 122.661 119.800 0.032 0.000 2.389 165 Q HA 0.308 4.648 4.340 -0.001 0.000 0.244 165 Q C -2.254 173.763 176.000 0.028 0.000 1.056 165 Q CA -1.814 54.004 55.803 0.025 0.000 0.908 165 Q CB 0.641 29.393 28.738 0.024 0.000 1.273 165 Q HN 0.575 nan 8.270 nan 0.000 0.471 166 P HA 0.202 nan 4.420 nan 0.000 0.278 166 P C 0.098 177.407 177.300 0.016 0.000 1.266 166 P CA 0.307 63.415 63.100 0.014 0.000 0.807 166 P CB 0.845 32.547 31.700 0.003 0.000 1.094 167 G N -0.516 108.293 108.800 0.015 0.000 2.225 167 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.267 167 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.267 167 G C 0.123 175.036 174.900 0.021 0.000 1.024 167 G CA 0.090 45.200 45.100 0.015 0.000 0.784 167 G HN 0.647 nan 8.290 nan 0.000 0.507 168 Q N 0.089 119.908 119.800 0.031 0.000 2.256 168 Q HA 0.549 4.889 4.340 -0.001 0.000 0.232 168 Q C 1.120 177.142 176.000 0.037 0.000 0.965 168 Q CA 0.042 55.867 55.803 0.037 0.000 0.908 168 Q CB 0.869 29.639 28.738 0.052 0.000 1.209 168 Q HN 0.634 nan 8.270 nan 0.000 0.489 169 S N 0.250 115.970 115.700 0.034 0.000 2.568 169 S HA 0.090 4.559 4.470 -0.001 0.000 0.282 169 S C 0.167 174.791 174.600 0.039 0.000 1.338 169 S CA -0.733 57.485 58.200 0.030 0.000 1.045 169 S CB 0.908 64.122 63.200 0.024 0.000 0.873 169 S HN 0.496 nan 8.310 nan 0.000 0.516 170 S N 3.688 119.407 115.700 0.031 0.000 2.571 170 S HA 0.127 4.596 4.470 -0.001 0.000 0.298 170 S C -1.825 172.786 174.600 0.019 0.000 1.280 170 S CA -0.485 57.734 58.200 0.032 0.000 1.052 170 S CB -0.347 62.862 63.200 0.014 0.000 0.799 170 S HN 0.695 nan 8.310 nan 0.000 0.501 171 P HA 0.284 nan 4.420 nan 0.000 0.275 171 P C -0.737 176.524 177.300 -0.065 0.000 1.227 171 P CA -0.362 62.706 63.100 -0.054 0.000 0.781 171 P CB 0.548 32.167 31.700 -0.135 0.000 0.906 172 K N 1.100 121.438 120.400 -0.102 0.000 2.499 172 K HA 0.537 4.857 4.320 -0.001 0.000 0.277 172 K C -0.708 175.796 176.600 -0.160 0.000 1.025 172 K CA -1.112 55.112 56.287 -0.105 0.000 0.900 172 K CB 0.917 33.371 32.500 -0.077 0.000 1.494 172 K HN 0.142 nan 8.250 nan 0.000 0.442 173 I N 2.637 123.115 120.570 -0.153 0.000 2.329 173 I HA -0.013 4.156 4.170 -0.001 0.000 0.295 173 I C 0.350 176.358 176.117 -0.181 0.000 1.109 173 I CA -0.181 61.012 61.300 -0.178 0.000 1.297 173 I CB 0.279 38.187 38.000 -0.153 0.000 1.433 173 I HN 0.590 nan 8.210 nan 0.000 0.509 174 D N 4.904 125.121 120.400 -0.305 0.000 2.269 174 D HA -0.008 4.632 4.640 -0.001 0.000 0.208 174 D C 0.266 176.480 176.300 -0.144 0.000 0.963 174 D CA 1.276 55.094 54.000 -0.302 0.000 0.864 174 D CB 0.653 40.981 40.800 -0.786 0.000 0.936 174 D HN 0.223 nan 8.370 nan 0.000 0.505 175 V N 1.365 121.201 119.914 -0.130 0.000 2.697 175 V HA 0.090 4.209 4.120 -0.001 0.000 0.296 175 V C -0.376 175.716 176.094 -0.004 0.000 1.140 175 V CA -0.735 61.563 62.300 -0.003 0.000 0.921 175 V CB 2.641 34.523 31.823 0.098 0.000 1.036 175 V HN -0.281 nan 8.190 nan 0.000 0.438 176 V N 6.228 126.150 119.914 0.012 0.000 2.385 176 V HA 0.433 4.552 4.120 -0.001 0.000 0.269 176 V C 0.199 176.323 176.094 0.051 0.000 1.043 176 V CA -0.215 62.098 62.300 0.022 0.000 0.906 176 V CB 1.284 33.115 31.823 0.013 0.000 0.995 176 V HN 0.648 nan 8.190 nan 0.000 0.467 177 I N 3.871 124.482 120.570 0.068 0.000 2.342 177 I HA 0.218 4.388 4.170 -0.001 0.000 0.291 177 I C 0.892 177.058 176.117 0.082 0.000 1.010 177 I CA 0.155 61.505 61.300 0.082 0.000 1.308 177 I CB 1.431 39.490 38.000 0.099 0.000 1.400 177 I HN 0.605 nan 8.210 nan 0.000 0.488 178 S N 4.621 120.368 115.700 0.077 0.000 2.560 178 S HA 0.034 4.504 4.470 -0.001 0.000 0.284 178 S C 0.963 175.619 174.600 0.093 0.000 1.327 178 S CA -0.100 58.147 58.200 0.078 0.000 1.055 178 S CB 0.417 63.659 63.200 0.069 0.000 0.868 178 S HN 0.646 nan 8.310 nan 0.000 0.506 179 E N 2.351 122.609 120.200 0.096 0.000 2.474 179 E HA 0.197 4.547 4.350 -0.001 0.000 0.195 179 E C 0.648 177.301 176.600 0.088 0.000 1.039 179 E CA -0.204 56.258 56.400 0.104 0.000 0.881 179 E CB 0.278 30.048 29.700 0.116 0.000 0.970 179 E HN 0.715 nan 8.360 nan 0.000 0.486 180 A N 1.520 124.388 122.820 0.078 0.000 2.520 180 A HA -0.004 4.315 4.320 -0.001 0.000 0.235 180 A C 1.559 179.192 177.584 0.081 0.000 1.065 180 A CA 0.339 52.418 52.037 0.071 0.000 0.764 180 A CB 0.284 19.321 19.000 0.063 0.000 1.002 180 A HN 0.267 nan 8.150 nan 0.000 0.502 181 S N 0.772 116.517 115.700 0.075 0.000 2.440 181 S HA -0.164 4.305 4.470 -0.001 0.000 0.238 181 S C 1.447 176.107 174.600 0.100 0.000 1.010 181 S CA 1.419 59.670 58.200 0.085 0.000 0.972 181 S CB -0.495 62.747 63.200 0.070 0.000 0.774 181 S HN 1.524 nan 8.310 nan 0.000 0.501 182 S N 0.156 115.911 115.700 0.091 0.000 2.557 182 S HA 0.300 4.769 4.470 -0.001 0.000 0.223 182 S C 0.463 175.125 174.600 0.103 0.000 0.969 182 S CA -0.283 57.976 58.200 0.099 0.000 0.927 182 S CB -0.047 63.200 63.200 0.078 0.000 0.806 182 S HN 0.317 nan 8.310 nan 0.000 0.489 183 S N 2.785 118.546 115.700 0.102 0.000 2.474 183 S HA 0.323 4.793 4.470 -0.001 0.000 0.276 183 S C -0.371 174.296 174.600 0.113 0.000 1.227 183 S CA -0.683 57.575 58.200 0.097 0.000 1.050 183 S CB -0.233 63.020 63.200 0.089 0.000 0.939 183 S HN 0.429 nan 8.310 nan 0.000 0.490 184 N N 4.845 123.604 118.700 0.099 0.000 2.406 184 N HA 0.043 4.783 4.740 -0.001 0.000 0.274 184 N C -0.484 175.063 175.510 0.062 0.000 1.249 184 N CA 0.376 53.475 53.050 0.082 0.000 0.951 184 N CB -0.317 38.198 38.487 0.046 0.000 1.241 184 N HN 0.731 nan 8.380 nan 0.000 0.485 185 N N 0.479 119.229 118.700 0.083 0.000 2.524 185 N HA 0.099 4.839 4.740 -0.001 0.000 0.261 185 N C 0.800 176.362 175.510 0.087 0.000 0.998 185 N CA -0.422 52.681 53.050 0.089 0.000 0.915 185 N CB 0.721 39.277 38.487 0.115 0.000 1.187 185 N HN 0.332 nan 8.380 nan 0.000 0.507 186 T N 0.966 115.568 114.554 0.081 0.000 3.085 186 T HA 0.013 4.363 4.350 -0.001 0.000 0.263 186 T C 1.582 176.372 174.700 0.150 0.000 1.127 186 T CA 0.375 62.535 62.100 0.101 0.000 1.103 186 T CB -0.110 68.825 68.868 0.112 0.000 0.921 186 T HN 0.455 nan 8.240 nan 0.000 0.510 187 L N 0.543 121.844 121.223 0.129 0.000 2.240 187 L HA 0.246 4.586 4.340 -0.001 0.000 0.211 187 L C 1.045 177.946 176.870 0.052 0.000 1.106 187 L CA 0.934 55.806 54.840 0.052 0.000 0.793 187 L CB 0.008 42.114 42.059 0.079 0.000 0.927 187 L HN 0.398 nan 8.230 nan 0.000 0.446 188 D N -0.461 120.003 120.400 0.108 0.000 2.914 188 D HA 0.127 4.767 4.640 -0.001 0.000 0.236 188 D C -2.687 173.701 176.300 0.147 0.000 1.405 188 D CA -0.883 53.194 54.000 0.128 0.000 0.900 188 D CB 1.239 42.152 40.800 0.188 0.000 1.518 188 D HN -0.138 nan 8.370 nan 0.000 0.548 189 P HA 0.277 nan 4.420 nan 0.000 0.269 189 P C 0.697 178.134 177.300 0.229 0.000 1.209 189 P CA 0.057 63.278 63.100 0.201 0.000 0.776 189 P CB 1.002 32.856 31.700 0.257 0.000 0.876 190 G N -0.027 108.910 108.800 0.229 0.000 3.695 190 G HA2 0.071 4.031 3.960 -0.001 0.000 0.277 190 G HA3 0.071 4.031 3.960 -0.001 0.000 0.277 190 G C 0.565 175.585 174.900 0.201 0.000 1.001 190 G CA -0.038 45.184 45.100 0.203 0.000 0.837 190 G HN 0.521 nan 8.290 nan 0.000 0.492 191 T N -3.324 111.386 114.554 0.261 0.000 3.023 191 T HA 0.114 4.464 4.350 -0.001 0.000 0.253 191 T C 1.045 175.817 174.700 0.119 0.000 1.038 191 T CA -0.250 62.007 62.100 0.261 0.000 0.962 191 T CB 0.087 69.192 68.868 0.394 0.000 1.018 191 T HN 0.088 nan 8.240 nan 0.000 0.521 192 c N 4.333 122.892 118.600 -0.069 0.000 2.305 192 c HA 0.329 4.898 4.570 -0.001 0.000 0.378 192 c C 2.137 176.054 174.090 -0.288 0.000 1.047 192 c CA -0.197 55.826 56.329 -0.510 0.000 1.385 192 c CB -2.163 39.961 42.510 -0.645 0.000 1.825 192 c HN 0.638 nan 8.230 nan 0.000 0.508 193 T N 2.853 117.229 114.554 -0.297 0.000 2.620 193 T HA -0.207 4.143 4.350 -0.001 0.000 0.267 193 T C 1.867 176.473 174.700 -0.156 0.000 1.044 193 T CA 2.127 64.141 62.100 -0.142 0.000 1.161 193 T CB -0.217 68.614 68.868 -0.062 0.000 0.862 193 T HN 0.607 nan 8.240 nan 0.000 0.438 194 V N 0.914 120.685 119.914 -0.237 0.000 2.343 194 V HA -0.113 4.007 4.120 -0.001 0.000 0.247 194 V C 2.010 178.027 176.094 -0.127 0.000 1.051 194 V CA 1.703 63.900 62.300 -0.172 0.000 1.036 194 V CB -0.820 30.888 31.823 -0.191 0.000 0.654 194 V HN 0.450 nan 8.190 nan 0.000 0.451 195 F N 1.273 121.074 119.950 -0.248 0.000 2.146 195 F HA -0.110 4.417 4.527 -0.001 0.000 0.298 195 F C 2.420 178.134 175.800 -0.143 0.000 1.096 195 F CA 1.614 59.497 58.000 -0.196 0.000 1.275 195 F CB -0.179 38.698 39.000 -0.204 0.000 1.008 195 F HN 0.090 nan 8.300 nan 0.000 0.480 196 E N 0.427 120.520 120.200 -0.178 0.000 2.209 196 E HA -0.200 4.150 4.350 -0.001 0.000 0.196 196 E C 1.674 178.120 176.600 -0.257 0.000 0.993 196 E CA 1.406 57.678 56.400 -0.214 0.000 0.819 196 E CB -0.478 29.201 29.700 -0.036 0.000 0.745 196 E HN 0.517 nan 8.360 nan 0.000 0.477 197 D N 0.005 120.275 120.400 -0.216 0.000 2.305 197 D HA -0.025 4.615 4.640 -0.001 0.000 0.206 197 D C 0.694 176.875 176.300 -0.199 0.000 0.974 197 D CA 0.178 54.078 54.000 -0.167 0.000 0.871 197 D CB -0.116 40.616 40.800 -0.114 0.000 0.947 197 D HN -0.081 nan 8.370 nan 0.000 0.516 198 S N 0.454 115.987 115.700 -0.278 0.000 2.571 198 S HA -0.126 4.344 4.470 -0.001 0.000 0.298 198 S C 0.778 175.247 174.600 -0.218 0.000 1.280 198 S CA 0.549 58.596 58.200 -0.255 0.000 1.052 198 S CB 0.407 63.405 63.200 -0.337 0.000 0.799 198 S HN 0.137 nan 8.310 nan 0.000 0.501 199 E N 3.068 123.179 120.200 -0.149 0.000 2.714 199 E HA 0.096 4.445 4.350 -0.001 0.000 0.219 199 E C 0.965 177.510 176.600 -0.092 0.000 0.979 199 E CA -0.299 56.033 56.400 -0.112 0.000 1.092 199 E CB 0.200 29.850 29.700 -0.083 0.000 1.049 199 E HN 0.561 nan 8.360 nan 0.000 0.487 200 L N 1.667 122.831 121.223 -0.098 0.000 2.012 200 L HA -0.157 4.183 4.340 -0.001 0.000 0.210 200 L C 2.235 179.067 176.870 -0.063 0.000 1.073 200 L CA 2.327 57.119 54.840 -0.080 0.000 0.748 200 L CB -0.588 41.434 42.059 -0.062 0.000 0.891 200 L HN 0.145 nan 8.230 nan 0.000 0.431 201 A N -0.616 122.180 122.820 -0.040 0.000 1.873 201 A HA -0.283 4.037 4.320 -0.001 0.000 0.218 201 A C 2.044 179.631 177.584 0.004 0.000 1.193 201 A CA 2.088 54.130 52.037 0.009 0.000 0.629 201 A CB -1.094 17.908 19.000 0.004 0.000 0.826 201 A HN 0.562 nan 8.150 nan 0.000 0.447 202 D N -0.592 119.800 120.400 -0.013 0.000 2.133 202 D HA -0.137 4.503 4.640 -0.001 0.000 0.192 202 D C 2.082 178.377 176.300 -0.008 0.000 1.001 202 D CA 2.031 56.029 54.000 -0.004 0.000 0.844 202 D CB -0.835 39.955 40.800 -0.017 0.000 0.944 202 D HN 0.454 nan 8.370 nan 0.000 0.447 203 T N 0.755 115.289 114.554 -0.033 0.000 2.652 203 T HA -0.119 4.230 4.350 -0.001 0.000 0.267 203 T C 2.293 176.975 174.700 -0.031 0.000 1.039 203 T CA 1.384 63.461 62.100 -0.039 0.000 1.153 203 T CB -0.505 68.326 68.868 -0.061 0.000 0.863 203 T HN -0.014 nan 8.240 nan 0.000 0.428 204 V N 1.513 121.391 119.914 -0.061 0.000 2.392 204 V HA -0.210 3.910 4.120 -0.001 0.000 0.249 204 V C 2.480 178.617 176.094 0.071 0.000 1.059 204 V CA 2.034 64.305 62.300 -0.049 0.000 1.051 204 V CB -0.703 31.034 31.823 -0.143 0.000 0.658 204 V HN 0.564 nan 8.190 nan 0.000 0.455 205 E N 0.475 120.719 120.200 0.074 0.000 2.031 205 E HA -0.232 4.118 4.350 -0.001 0.000 0.193 205 E C 2.266 178.938 176.600 0.121 0.000 0.994 205 E CA 1.467 57.940 56.400 0.121 0.000 0.800 205 E CB -0.270 29.484 29.700 0.089 0.000 0.752 205 E HN 0.548 nan 8.360 nan 0.000 0.447 206 A N 1.169 124.026 122.820 0.061 0.000 1.858 206 A HA -0.238 4.082 4.320 -0.001 0.000 0.216 206 A C 1.955 179.563 177.584 0.040 0.000 1.190 206 A CA 1.862 53.917 52.037 0.030 0.000 0.617 206 A CB -0.848 18.155 19.000 0.005 0.000 0.827 206 A HN 0.295 nan 8.150 nan 0.000 0.443 207 N N -0.941 117.792 118.700 0.055 0.000 2.069 207 N HA -0.160 4.580 4.740 -0.001 0.000 0.191 207 N C 1.339 176.930 175.510 0.134 0.000 1.031 207 N CA 1.755 54.846 53.050 0.067 0.000 0.852 207 N CB -0.590 37.926 38.487 0.050 0.000 1.018 207 N HN 0.549 nan 8.380 nan 0.000 0.423 208 F N 1.351 121.343 119.950 0.069 0.000 2.367 208 F HA -0.029 4.497 4.527 -0.001 0.000 0.298 208 F C 2.193 178.131 175.800 0.230 0.000 1.094 208 F CA 1.225 59.319 58.000 0.157 0.000 1.409 208 F CB -0.509 38.603 39.000 0.187 0.000 1.064 208 F HN 0.077 nan 8.300 nan 0.000 0.528 209 T N -1.925 112.689 114.554 0.101 0.000 2.995 209 T HA 0.018 4.367 4.350 -0.001 0.000 0.269 209 T C 2.031 176.551 174.700 -0.300 0.000 1.091 209 T CA 0.738 62.740 62.100 -0.163 0.000 1.128 209 T CB -0.724 68.070 68.868 -0.124 0.000 0.891 209 T HN 0.217 nan 8.240 nan 0.000 0.492 210 A N 1.998 124.726 122.820 -0.153 0.000 2.119 210 A HA 0.086 4.406 4.320 -0.001 0.000 0.216 210 A C 2.544 180.046 177.584 -0.136 0.000 1.152 210 A CA 1.453 53.410 52.037 -0.135 0.000 0.708 210 A CB -1.006 17.953 19.000 -0.069 0.000 0.805 210 A HN 0.696 nan 8.150 nan 0.000 0.460 211 T N -4.082 110.376 114.554 -0.159 0.000 3.081 211 T HA 0.173 4.522 4.350 -0.001 0.000 0.255 211 T C 0.972 175.633 174.700 -0.064 0.000 1.113 211 T CA 1.081 63.109 62.100 -0.120 0.000 1.082 211 T CB -0.334 68.446 68.868 -0.147 0.000 0.939 211 T HN 0.857 nan 8.240 nan 0.000 0.506 212 F N -1.316 118.467 119.950 -0.279 0.000 2.828 212 F HA 0.480 5.007 4.527 -0.001 0.000 0.368 212 F C 1.244 176.969 175.800 -0.125 0.000 0.877 212 F CA -0.491 57.383 58.000 -0.210 0.000 1.071 212 F CB 0.171 39.006 39.000 -0.276 0.000 1.006 212 F HN -0.083 nan 8.300 nan 0.000 0.598 213 V N 2.134 121.440 119.914 -1.013 0.000 2.427 213 V HA -0.075 4.045 4.120 -0.001 0.000 0.248 213 V C -0.504 175.422 176.094 -0.280 0.000 1.051 213 V CA 2.148 64.031 62.300 -0.695 0.000 1.048 213 V CB -1.884 29.508 31.823 -0.719 0.000 0.666 213 V HN 0.173 nan 8.190 nan 0.000 0.456 214 P HA -0.131 nan 4.420 nan 0.000 0.216 214 P C 1.944 179.206 177.300 -0.064 0.000 1.153 214 P CA 1.897 64.928 63.100 -0.114 0.000 0.858 214 P CB -0.144 31.498 31.700 -0.096 0.000 0.789 215 S N -1.041 114.632 115.700 -0.044 0.000 2.419 215 S HA -0.117 4.353 4.470 -0.001 0.000 0.233 215 S C 1.854 176.464 174.600 0.016 0.000 1.016 215 S CA 1.086 59.283 58.200 -0.005 0.000 0.974 215 S CB -0.991 62.222 63.200 0.021 0.000 0.786 215 S HN 0.164 nan 8.310 nan 0.000 0.492 216 I N 0.819 121.400 120.570 0.018 0.000 2.339 216 I HA -0.022 4.148 4.170 -0.001 0.000 0.245 216 I C 2.682 178.835 176.117 0.059 0.000 1.096 216 I CA 0.567 61.912 61.300 0.075 0.000 1.408 216 I CB -0.307 37.768 38.000 0.124 0.000 1.092 216 I HN 0.141 nan 8.210 nan 0.000 0.423 217 R N 1.099 121.607 120.500 0.013 0.000 2.113 217 R HA -0.307 4.033 4.340 -0.001 0.000 0.244 217 R C 2.305 178.601 176.300 -0.006 0.000 1.142 217 R CA 2.347 58.447 56.100 0.000 0.000 0.953 217 R CB -0.355 29.922 30.300 -0.038 0.000 0.860 217 R HN 0.390 nan 8.270 nan 0.000 0.438 218 Q N 0.070 119.863 119.800 -0.013 0.000 2.002 218 Q HA -0.234 4.106 4.340 -0.001 0.000 0.204 218 Q C 2.318 178.310 176.000 -0.015 0.000 0.988 218 Q CA 2.152 57.945 55.803 -0.018 0.000 0.843 218 Q CB -0.150 28.578 28.738 -0.016 0.000 0.908 218 Q HN 0.293 nan 8.270 nan 0.000 0.420 219 R N -0.082 120.421 120.500 0.005 0.000 2.096 219 R HA -0.182 4.158 4.340 -0.001 0.000 0.240 219 R C 2.299 178.601 176.300 0.003 0.000 1.139 219 R CA 1.710 57.819 56.100 0.015 0.000 0.952 219 R CB -0.357 29.969 30.300 0.044 0.000 0.854 219 R HN 0.338 nan 8.270 nan 0.000 0.436 220 L N 0.155 121.391 121.223 0.022 0.000 2.083 220 L HA -0.155 4.185 4.340 -0.001 0.000 0.209 220 L C 2.241 179.055 176.870 -0.094 0.000 1.083 220 L CA 1.466 56.307 54.840 0.003 0.000 0.752 220 L CB -0.364 41.736 42.059 0.069 0.000 0.899 220 L HN 0.319 nan 8.230 nan 0.000 0.433 221 E N -0.317 119.842 120.200 -0.069 0.000 2.152 221 E HA -0.156 4.194 4.350 -0.001 0.000 0.192 221 E C 1.922 178.449 176.600 -0.122 0.000 0.983 221 E CA 0.453 56.797 56.400 -0.092 0.000 0.818 221 E CB -0.001 29.662 29.700 -0.061 0.000 0.758 221 E HN 0.427 nan 8.360 nan 0.000 0.467 222 N N 0.878 119.516 118.700 -0.104 0.000 2.084 222 N HA -0.148 4.591 4.740 -0.001 0.000 0.190 222 N C 1.158 176.570 175.510 -0.164 0.000 1.030 222 N CA 1.155 54.142 53.050 -0.105 0.000 0.849 222 N CB 0.094 38.542 38.487 -0.065 0.000 1.012 222 N HN 0.144 nan 8.380 nan 0.000 0.423 223 D N 0.402 120.661 120.400 -0.235 0.000 2.249 223 D HA 0.041 4.681 4.640 -0.001 0.000 0.205 223 D C 0.351 176.315 176.300 -0.561 0.000 0.962 223 D CA 0.488 54.251 54.000 -0.395 0.000 0.860 223 D CB 0.343 40.807 40.800 -0.560 0.000 0.955 223 D HN 0.197 nan 8.370 nan 0.000 0.505 224 L N 1.319 122.239 121.223 -0.505 0.000 2.504 224 L HA 0.188 4.527 4.340 -0.001 0.000 0.249 224 L C -0.018 176.656 176.870 -0.326 0.000 1.120 224 L CA -0.269 54.280 54.840 -0.485 0.000 0.997 224 L CB 1.171 42.965 42.059 -0.442 0.000 1.349 224 L HN -0.331 nan 8.230 nan 0.000 0.439 225 S N 1.592 117.117 115.700 -0.293 0.000 2.546 225 S HA 0.294 4.763 4.470 -0.001 0.000 0.290 225 S C 1.154 175.644 174.600 -0.183 0.000 1.262 225 S CA 0.898 58.977 58.200 -0.202 0.000 1.083 225 S CB 0.535 63.631 63.200 -0.173 0.000 0.859 225 S HN 0.949 nan 8.310 nan 0.000 0.495 226 G N 2.323 111.044 108.800 -0.131 0.000 2.231 226 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.206 226 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.206 226 G C -0.011 174.840 174.900 -0.081 0.000 0.996 226 G CA -0.241 44.799 45.100 -0.100 0.000 0.645 226 G HN 0.682 nan 8.290 nan 0.000 0.498 227 V N 1.870 121.727 119.914 -0.095 0.000 2.472 227 V HA 0.780 4.900 4.120 -0.001 0.000 0.290 227 V C 0.594 176.659 176.094 -0.048 0.000 1.037 227 V CA 0.463 62.725 62.300 -0.063 0.000 0.908 227 V CB 1.696 33.473 31.823 -0.077 0.000 0.985 227 V HN 0.867 nan 8.190 nan 0.000 0.454 228 T N 4.749 119.288 114.554 -0.026 0.000 2.848 228 T HA 0.755 5.105 4.350 -0.001 0.000 0.285 228 T C -1.156 173.537 174.700 -0.011 0.000 0.995 228 T CA -0.561 61.525 62.100 -0.024 0.000 0.970 228 T CB 1.046 69.900 68.868 -0.024 0.000 0.976 228 T HN 0.369 nan 8.240 nan 0.000 0.441 229 L N 3.617 124.831 121.223 -0.015 0.000 2.386 229 L HA 0.643 4.983 4.340 -0.001 0.000 0.271 229 L C 0.753 177.605 176.870 -0.030 0.000 0.993 229 L CA -1.081 53.753 54.840 -0.010 0.000 0.819 229 L CB 2.629 44.691 42.059 0.004 0.000 1.294 229 L HN 0.977 nan 8.230 nan 0.000 0.414 230 T N -3.283 111.246 114.554 -0.043 0.000 2.913 230 T HA 0.160 4.509 4.350 -0.001 0.000 0.287 230 T C 0.652 175.292 174.700 -0.101 0.000 1.008 230 T CA -0.776 61.283 62.100 -0.069 0.000 1.067 230 T CB 1.295 70.118 68.868 -0.075 0.000 0.996 230 T HN 0.495 nan 8.240 nan 0.000 0.513 231 D N 1.616 121.947 120.400 -0.114 0.000 2.172 231 D HA -0.120 4.519 4.640 -0.001 0.000 0.196 231 D C 2.059 178.246 176.300 -0.189 0.000 0.999 231 D CA 1.675 55.586 54.000 -0.149 0.000 0.856 231 D CB -0.641 40.064 40.800 -0.157 0.000 0.934 231 D HN 0.718 nan 8.370 nan 0.000 0.453 232 T N 0.766 115.186 114.554 -0.224 0.000 2.777 232 T HA -0.112 4.237 4.350 -0.001 0.000 0.266 232 T C 1.811 176.119 174.700 -0.653 0.000 1.040 232 T CA 1.056 62.929 62.100 -0.379 0.000 1.141 232 T CB -0.140 68.529 68.868 -0.331 0.000 0.868 232 T HN 0.292 nan 8.240 nan 0.000 0.444 233 E N 0.426 120.362 120.200 -0.439 0.000 2.153 233 E HA -0.086 4.263 4.350 -0.001 0.000 0.194 233 E C 2.277 178.821 176.600 -0.094 0.000 0.988 233 E CA 0.769 56.996 56.400 -0.289 0.000 0.811 233 E CB -0.171 29.495 29.700 -0.057 0.000 0.746 233 E HN 0.247 nan 8.360 nan 0.000 0.466 234 V N 1.288 121.156 119.914 -0.077 0.000 2.343 234 V HA -0.268 3.851 4.120 -0.001 0.000 0.247 234 V C 2.726 178.823 176.094 0.005 0.000 1.051 234 V CA 2.141 64.457 62.300 0.025 0.000 1.036 234 V CB -1.013 30.807 31.823 -0.004 0.000 0.654 234 V HN 0.525 nan 8.190 nan 0.000 0.451 235 T N -2.100 112.427 114.554 -0.045 0.000 2.833 235 T HA -0.239 4.111 4.350 -0.001 0.000 0.269 235 T C 1.831 176.698 174.700 0.278 0.000 1.054 235 T CA 1.520 63.685 62.100 0.108 0.000 1.135 235 T CB -0.505 68.466 68.868 0.172 0.000 0.869 235 T HN 0.400 nan 8.240 nan 0.000 0.466 236 Y N 1.951 122.354 120.300 0.171 0.000 2.145 236 Y HA 0.122 4.672 4.550 -0.001 0.000 0.286 236 Y C 2.487 178.349 175.900 -0.063 0.000 1.145 236 Y CA -0.100 58.113 58.100 0.187 0.000 1.148 236 Y CB -1.225 37.418 38.460 0.305 0.000 0.981 236 Y HN 0.226 nan 8.280 nan 0.000 0.507 237 L N -0.973 120.353 121.223 0.171 0.000 2.187 237 L HA -0.265 4.074 4.340 -0.001 0.000 0.213 237 L C 2.372 179.300 176.870 0.097 0.000 1.100 237 L CA 1.254 56.168 54.840 0.123 0.000 0.765 237 L CB -0.569 41.756 42.059 0.443 0.000 0.904 237 L HN 0.261 nan 8.230 nan 0.000 0.437 238 M N -0.839 118.685 119.600 -0.127 0.000 2.156 238 M HA -0.160 4.319 4.480 -0.001 0.000 0.264 238 M C 1.778 177.976 176.300 -0.170 0.000 1.067 238 M CA 1.393 56.436 55.300 -0.427 0.000 1.131 238 M CB -0.485 31.596 32.600 -0.866 0.000 1.368 238 M HN 0.130 nan 8.290 nan 0.000 0.416 239 D N 0.543 120.951 120.400 0.013 0.000 2.133 239 D HA -0.172 4.467 4.640 -0.001 0.000 0.195 239 D C 1.895 178.077 176.300 -0.197 0.000 0.997 239 D CA 1.307 55.355 54.000 0.080 0.000 0.840 239 D CB -0.172 40.800 40.800 0.287 0.000 0.947 239 D HN 0.221 nan 8.370 nan 0.000 0.452 240 M N 0.223 119.557 119.600 -0.442 0.000 2.267 240 M HA -0.118 4.362 4.480 -0.001 0.000 0.263 240 M C 2.464 178.509 176.300 -0.425 0.000 1.063 240 M CA 0.565 55.488 55.300 -0.629 0.000 1.090 240 M CB -1.254 30.516 32.600 -1.382 0.000 1.392 240 M HN 0.256 nan 8.290 nan 0.000 0.422 241 c N -0.557 117.875 118.600 -0.281 0.000 2.435 241 c HA -0.097 4.473 4.570 -0.001 0.000 0.279 241 c C 3.140 176.745 174.090 -0.810 0.000 1.321 241 c CA 1.517 57.714 56.329 -0.220 0.000 1.752 241 c CB -0.876 41.692 42.510 0.097 0.000 1.959 241 c HN 0.587 nan 8.230 nan 0.000 0.500 242 S N -0.485 114.480 115.700 -1.225 0.000 2.335 242 S HA -0.041 4.429 4.470 -0.001 0.000 0.217 242 S C 1.563 175.696 174.600 -0.778 0.000 1.032 242 S CA 1.645 58.893 58.200 -1.587 0.000 0.985 242 S CB -0.553 61.885 63.200 -1.269 0.000 0.896 242 S HN 0.624 nan 8.310 nan 0.000 0.445 243 F N 1.723 121.437 119.950 -0.393 0.000 2.134 243 F HA -0.005 4.522 4.527 -0.001 0.000 0.299 243 F C 2.306 178.033 175.800 -0.122 0.000 1.097 243 F CA 1.441 59.324 58.000 -0.197 0.000 1.264 243 F CB -0.711 38.192 39.000 -0.161 0.000 1.001 243 F HN 0.301 nan 8.300 nan 0.000 0.479 244 D N -1.012 119.426 120.400 0.063 0.000 2.269 244 D HA -0.097 4.542 4.640 -0.001 0.000 0.208 244 D C 1.969 178.300 176.300 0.052 0.000 0.963 244 D CA 1.331 55.412 54.000 0.135 0.000 0.864 244 D CB 0.067 41.050 40.800 0.305 0.000 0.936 244 D HN 0.120 nan 8.370 nan 0.000 0.505 245 T N 0.046 114.565 114.554 -0.058 0.000 2.706 245 T HA -0.043 4.307 4.350 -0.001 0.000 0.255 245 T C 1.815 176.475 174.700 -0.067 0.000 1.048 245 T CA 1.184 63.261 62.100 -0.038 0.000 1.153 245 T CB -0.215 68.656 68.868 0.005 0.000 0.865 245 T HN 0.356 nan 8.240 nan 0.000 0.414 246 I N -0.604 119.869 120.570 -0.161 0.000 3.810 246 I HA 0.336 4.506 4.170 -0.001 0.000 0.322 246 I C 1.289 177.296 176.117 -0.183 0.000 1.288 246 I CA 0.171 61.276 61.300 -0.326 0.000 1.143 246 I CB 0.053 37.770 38.000 -0.472 0.000 1.012 246 I HN -0.005 nan 8.210 nan 0.000 0.423 247 S N 0.031 115.709 115.700 -0.036 0.000 2.502 247 S HA 0.082 4.551 4.470 -0.001 0.000 0.215 247 S C 0.994 175.649 174.600 0.092 0.000 1.009 247 S CA 0.471 58.706 58.200 0.057 0.000 0.908 247 S CB 0.151 63.473 63.200 0.202 0.000 0.801 247 S HN 0.742 nan 8.310 nan 0.000 0.505 248 T N -0.545 114.043 114.554 0.057 0.000 2.870 248 T HA 0.393 4.742 4.350 -0.001 0.000 0.277 248 T C 1.379 176.119 174.700 0.066 0.000 1.000 248 T CA 0.112 62.254 62.100 0.070 0.000 0.982 248 T CB 1.228 70.132 68.868 0.061 0.000 1.249 248 T HN -0.057 nan 8.240 nan 0.000 0.589 249 S N 0.013 115.755 115.700 0.069 0.000 2.381 249 S HA -0.170 4.299 4.470 -0.001 0.000 0.230 249 S C 1.707 176.354 174.600 0.078 0.000 1.052 249 S CA 2.832 61.075 58.200 0.072 0.000 1.068 249 S CB -1.314 61.921 63.200 0.057 0.000 0.918 249 S HN 0.933 nan 8.310 nan 0.000 0.448 250 T N 0.075 114.671 114.554 0.071 0.000 3.284 250 T HA 0.180 4.530 4.350 -0.001 0.000 0.252 250 T C 1.479 176.254 174.700 0.124 0.000 1.144 250 T CA 0.637 62.789 62.100 0.088 0.000 1.021 250 T CB -0.237 68.672 68.868 0.068 0.000 0.984 250 T HN 0.241 nan 8.240 nan 0.000 0.545 251 V N 2.259 122.229 119.914 0.092 0.000 2.313 251 V HA -0.326 3.793 4.120 -0.001 0.000 0.253 251 V C 1.732 177.990 176.094 0.273 0.000 1.070 251 V CA 2.494 64.839 62.300 0.074 0.000 1.057 251 V CB -0.517 31.209 31.823 -0.161 0.000 0.653 251 V HN 0.502 nan 8.190 nan 0.000 0.450 252 D N -1.533 119.000 120.400 0.221 0.000 2.346 252 D HA 0.004 4.643 4.640 -0.001 0.000 0.206 252 D C 2.070 178.451 176.300 0.136 0.000 1.001 252 D CA 1.170 55.263 54.000 0.156 0.000 0.871 252 D CB 0.239 41.102 40.800 0.106 0.000 0.943 252 D HN 0.709 nan 8.370 nan 0.000 0.518 253 T N -2.487 112.195 114.554 0.213 0.000 3.046 253 T HA 0.218 4.568 4.350 -0.001 0.000 0.242 253 T C 0.721 175.630 174.700 0.349 0.000 1.018 253 T CA -0.025 62.200 62.100 0.207 0.000 1.131 253 T CB 0.441 69.380 68.868 0.118 0.000 0.904 253 T HN -0.181 nan 8.240 nan 0.000 0.459 254 K N 0.923 121.487 120.400 0.272 0.000 2.397 254 K HA 0.595 4.915 4.320 -0.001 0.000 0.253 254 K C -1.660 174.809 176.600 -0.217 0.000 0.932 254 K CA -0.955 55.360 56.287 0.046 0.000 0.795 254 K CB 2.522 35.013 32.500 -0.016 0.000 1.159 254 K HN 0.008 nan 8.250 nan 0.000 0.424 255 L N 2.041 122.760 121.223 -0.839 0.000 2.416 255 L HA 0.144 4.484 4.340 -0.001 0.000 0.272 255 L C 0.311 177.002 176.870 -0.299 0.000 1.161 255 L CA 0.596 54.999 54.840 -0.728 0.000 0.845 255 L CB 1.331 42.777 42.059 -1.021 0.000 1.119 255 L HN 0.692 nan 8.230 nan 0.000 0.464 256 S N 5.302 120.916 115.700 -0.142 0.000 2.558 256 S HA 0.104 4.573 4.470 -0.001 0.000 0.287 256 S C -1.532 172.935 174.600 -0.221 0.000 1.321 256 S CA -0.562 57.571 58.200 -0.113 0.000 1.048 256 S CB 0.497 63.706 63.200 0.014 0.000 0.844 256 S HN 0.662 nan 8.310 nan 0.000 0.512 257 P HA -0.030 nan 4.420 nan 0.000 0.218 257 P C 0.995 177.880 177.300 -0.691 0.000 1.149 257 P CA 1.026 63.621 63.100 -0.841 0.000 0.817 257 P CB -0.056 30.592 31.700 -1.752 0.000 0.785 258 F N -0.201 119.507 119.950 -0.403 0.000 2.154 258 F HA -0.241 4.285 4.527 -0.002 0.000 0.301 258 F C 2.344 178.283 175.800 0.233 0.000 1.087 258 F CA 1.000 59.029 58.000 0.047 0.000 1.274 258 F CB -1.600 37.448 39.000 0.081 0.000 1.009 258 F HN 0.006 nan 8.300 nan 0.000 0.485 259 c N -0.767 118.063 118.600 0.382 0.000 2.435 259 c HA -0.166 4.403 4.570 -0.001 0.000 0.279 259 c C 2.406 176.810 174.090 0.524 0.000 1.321 259 c CA 0.879 57.552 56.329 0.573 0.000 1.752 259 c CB -0.980 41.699 42.510 0.281 0.000 1.959 259 c HN 0.397 nan 8.230 nan 0.000 0.500 260 D N 0.659 121.176 120.400 0.195 0.000 2.347 260 D HA -0.002 4.638 4.640 -0.001 0.000 0.215 260 D C 1.770 178.057 176.300 -0.022 0.000 0.976 260 D CA 0.545 54.601 54.000 0.094 0.000 0.884 260 D CB -0.227 40.563 40.800 -0.017 0.000 0.915 260 D HN 0.457 nan 8.370 nan 0.000 0.526 261 L N -0.771 120.357 121.223 -0.158 0.000 2.551 261 L HA 0.082 4.421 4.340 -0.001 0.000 0.228 261 L C -0.033 176.358 176.870 -0.799 0.000 1.153 261 L CA 0.237 54.736 54.840 -0.569 0.000 0.851 261 L CB -0.239 41.369 42.059 -0.752 0.000 0.959 261 L HN -0.093 nan 8.230 nan 0.000 0.451 262 F N -1.174 118.811 119.950 0.058 0.000 2.577 262 F HA 0.417 4.943 4.527 -0.002 0.000 0.318 262 F C 0.746 176.546 175.800 0.001 0.000 1.065 262 F CA -1.256 56.677 58.000 -0.111 0.000 0.929 262 F CB 1.325 39.997 39.000 -0.546 0.000 1.237 262 F HN -0.267 nan 8.300 nan 0.000 0.468 263 T N -3.300 111.346 114.554 0.152 0.000 2.902 263 T HA 0.199 4.549 4.350 -0.001 0.000 0.280 263 T C 0.947 175.828 174.700 0.302 0.000 0.992 263 T CA -0.122 62.105 62.100 0.212 0.000 1.015 263 T CB 0.975 69.935 68.868 0.154 0.000 1.044 263 T HN 0.748 nan 8.240 nan 0.000 0.520 264 H N 0.653 119.888 119.070 0.276 0.000 2.289 264 H HA -0.168 4.388 4.556 -0.001 0.000 0.294 264 H C 1.870 177.344 175.328 0.243 0.000 1.095 264 H CA 2.844 59.075 56.048 0.307 0.000 1.256 264 H CB -0.574 29.298 29.762 0.182 0.000 1.359 264 H HN 0.931 nan 8.280 nan 0.000 0.487 265 D N -0.553 119.916 120.400 0.115 0.000 2.144 265 D HA -0.149 4.491 4.640 -0.001 0.000 0.199 265 D C 2.020 178.311 176.300 -0.015 0.000 0.984 265 D CA 1.553 55.559 54.000 0.009 0.000 0.834 265 D CB -0.131 40.706 40.800 0.062 0.000 0.955 265 D HN 0.640 nan 8.370 nan 0.000 0.465 266 E N -0.751 119.457 120.200 0.014 0.000 2.110 266 E HA -0.166 4.183 4.350 -0.001 0.000 0.193 266 E C 1.847 178.373 176.600 -0.122 0.000 0.988 266 E CA 1.029 57.406 56.400 -0.039 0.000 0.804 266 E CB -0.231 29.452 29.700 -0.029 0.000 0.745 266 E HN 0.548 nan 8.360 nan 0.000 0.458 267 W N 0.761 122.115 121.300 0.090 0.000 2.358 267 W HA -0.130 4.532 4.660 0.003 0.000 0.303 267 W C 2.069 178.613 176.519 0.041 0.000 1.208 267 W CA 0.313 57.713 57.345 0.091 0.000 1.274 267 W CB -0.193 29.315 29.460 0.079 0.000 1.138 267 W HN 0.052 nan 8.180 nan 0.000 0.515 268 I N 0.574 121.191 120.570 0.079 0.000 2.208 268 I HA -0.384 3.785 4.170 -0.001 0.000 0.245 268 I C 2.173 178.303 176.117 0.022 0.000 1.097 268 I CA 1.299 62.596 61.300 -0.003 0.000 1.363 268 I CB -0.608 37.323 38.000 -0.115 0.000 1.051 268 I HN 0.087 nan 8.210 nan 0.000 0.413 269 N N 0.175 118.811 118.700 -0.107 0.000 2.106 269 N HA -0.240 4.499 4.740 -0.001 0.000 0.188 269 N C 1.885 177.314 175.510 -0.134 0.000 1.029 269 N CA 1.416 54.276 53.050 -0.316 0.000 0.848 269 N CB -0.575 37.190 38.487 -1.204 0.000 1.007 269 N HN 0.337 nan 8.380 nan 0.000 0.423 270 Y N 2.106 122.351 120.300 -0.092 0.000 2.069 270 Y HA -0.315 4.235 4.550 -0.001 0.000 0.278 270 Y C 2.306 178.350 175.900 0.241 0.000 1.175 270 Y CA 2.265 60.489 58.100 0.207 0.000 1.134 270 Y CB -0.653 38.002 38.460 0.325 0.000 0.965 270 Y HN 0.098 nan 8.280 nan 0.000 0.498 271 D N -1.467 119.140 120.400 0.345 0.000 2.116 271 D HA -0.308 4.332 4.640 -0.001 0.000 0.193 271 D C 2.080 178.406 176.300 0.044 0.000 0.998 271 D CA 1.821 55.936 54.000 0.192 0.000 0.836 271 D CB -0.606 40.317 40.800 0.206 0.000 0.951 271 D HN 0.489 nan 8.370 nan 0.000 0.449 272 Y N 0.277 120.534 120.300 -0.071 0.000 2.200 272 Y HA -0.090 4.460 4.550 -0.001 0.000 0.290 272 Y C 2.023 177.780 175.900 -0.237 0.000 1.137 272 Y CA 1.262 59.256 58.100 -0.177 0.000 1.163 272 Y CB -0.621 37.704 38.460 -0.224 0.000 0.988 272 Y HN 0.121 nan 8.280 nan 0.000 0.518 273 L N 0.385 121.552 121.223 -0.093 0.000 2.013 273 L HA -0.305 4.034 4.340 -0.001 0.000 0.212 273 L C 2.117 178.887 176.870 -0.166 0.000 1.073 273 L CA 2.077 56.887 54.840 -0.050 0.000 0.753 273 L CB -0.771 41.444 42.059 0.261 0.000 0.890 273 L HN 0.213 nan 8.230 nan 0.000 0.432 274 Q N -0.471 119.207 119.800 -0.205 0.000 2.079 274 Q HA -0.114 4.226 4.340 -0.001 0.000 0.200 274 Q C 2.405 178.311 176.000 -0.157 0.000 0.974 274 Q CA 1.748 57.430 55.803 -0.201 0.000 0.840 274 Q CB -0.737 27.855 28.738 -0.243 0.000 0.898 274 Q HN 0.599 nan 8.270 nan 0.000 0.430 275 S N 1.193 116.767 115.700 -0.209 0.000 2.383 275 S HA -0.107 4.363 4.470 -0.001 0.000 0.229 275 S C 2.086 176.632 174.600 -0.091 0.000 1.030 275 S CA 0.919 59.026 58.200 -0.155 0.000 1.002 275 S CB -0.279 62.761 63.200 -0.266 0.000 0.829 275 S HN 0.265 nan 8.310 nan 0.000 0.467 276 L N 1.228 122.277 121.223 -0.290 0.000 2.017 276 L HA -0.137 4.202 4.340 -0.001 0.000 0.208 276 L C 2.507 179.427 176.870 0.083 0.000 1.073 276 L CA 1.243 56.012 54.840 -0.118 0.000 0.745 276 L CB -0.485 41.445 42.059 -0.216 0.000 0.894 276 L HN 0.243 nan 8.230 nan 0.000 0.432 277 K N -0.053 120.367 120.400 0.033 0.000 2.059 277 K HA -0.220 4.099 4.320 -0.001 0.000 0.212 277 K C 2.169 178.837 176.600 0.113 0.000 1.050 277 K CA 1.346 57.678 56.287 0.074 0.000 0.927 277 K CB -0.195 32.329 32.500 0.040 0.000 0.714 277 K HN 0.169 nan 8.250 nan 0.000 0.447 278 K N 0.439 120.906 120.400 0.112 0.000 2.025 278 K HA -0.143 4.176 4.320 -0.001 0.000 0.207 278 K C 2.102 178.773 176.600 0.119 0.000 1.049 278 K CA 1.272 57.665 56.287 0.177 0.000 0.933 278 K CB -0.862 31.762 32.500 0.207 0.000 0.714 278 K HN 0.230 nan 8.250 nan 0.000 0.438 279 Y N 0.407 120.651 120.300 -0.093 0.000 2.128 279 Y HA -0.278 4.272 4.550 -0.001 0.000 0.284 279 Y C 1.841 177.384 175.900 -0.594 0.000 1.154 279 Y CA 1.738 59.540 58.100 -0.497 0.000 1.149 279 Y CB -0.234 37.821 38.460 -0.675 0.000 0.976 279 Y HN 0.046 nan 8.280 nan 0.000 0.505 280 Y N -1.174 119.071 120.300 -0.093 0.000 2.517 280 Y HA 0.169 4.718 4.550 -0.001 0.000 0.281 280 Y C 2.375 178.175 175.900 -0.166 0.000 1.125 280 Y CA 0.605 58.611 58.100 -0.158 0.000 1.283 280 Y CB -0.526 37.905 38.460 -0.047 0.000 1.042 280 Y HN 0.132 nan 8.280 nan 0.000 0.547 281 G N -1.440 107.353 108.800 -0.012 0.000 2.411 281 G HA2 -0.100 3.860 3.960 -0.001 0.000 0.213 281 G HA3 -0.100 3.860 3.960 -0.001 0.000 0.213 281 G C 1.277 175.972 174.900 -0.341 0.000 1.166 281 G CA 0.829 45.857 45.100 -0.120 0.000 0.802 281 G HN 0.404 nan 8.290 nan 0.000 0.533 282 H N -1.002 118.077 119.070 0.014 0.000 3.734 282 H HA 0.172 4.728 4.556 -0.000 0.000 0.253 282 H C 1.708 176.897 175.328 -0.231 0.000 1.072 282 H CA 0.247 56.309 56.048 0.023 0.000 1.147 282 H CB 0.591 30.413 29.762 0.099 0.000 1.495 282 H HN 0.338 nan 8.280 nan 0.000 0.588 283 G N 0.240 108.784 108.800 -0.427 0.000 2.531 283 G HA2 0.325 4.285 3.960 -0.001 0.000 0.253 283 G HA3 0.325 4.285 3.960 -0.001 0.000 0.253 283 G C 1.221 175.310 174.900 -1.351 0.000 1.439 283 G CA 0.332 44.727 45.100 -1.175 0.000 1.056 283 G HN 0.240 nan 8.290 nan 0.000 0.555 284 A N -0.953 120.640 122.820 -2.044 0.000 1.972 284 A HA 0.110 4.430 4.320 -0.001 0.000 0.219 284 A C 2.474 179.432 177.584 -1.042 0.000 1.169 284 A CA 2.126 53.425 52.037 -1.230 0.000 0.635 284 A CB -0.958 17.541 19.000 -0.834 0.000 0.810 284 A HN 1.040 nan 8.150 nan 0.000 0.446 285 G N -0.741 107.015 108.800 -1.739 0.000 2.535 285 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.218 285 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.218 285 G C 0.675 175.414 174.900 -0.270 0.000 1.122 285 G CA 0.448 44.998 45.100 -0.916 0.000 0.769 285 G HN 0.500 nan 8.290 nan 0.000 0.549 286 N N 0.142 118.618 118.700 -0.373 0.000 2.408 286 N HA 0.227 4.967 4.740 -0.001 0.000 0.280 286 N C -1.663 173.771 175.510 -0.126 0.000 1.002 286 N CA -1.888 51.077 53.050 -0.141 0.000 0.907 286 N CB 2.743 41.171 38.487 -0.098 0.000 1.161 286 N HN -0.183 nan 8.380 nan 0.000 0.488 287 P HA -0.076 nan 4.420 nan 0.000 0.219 287 P C 1.019 178.302 177.300 -0.028 0.000 1.146 287 P CA 1.059 64.131 63.100 -0.046 0.000 0.808 287 P CB 0.598 32.285 31.700 -0.021 0.000 0.779 288 L N -2.093 119.127 121.223 -0.004 0.000 2.766 288 L HA 0.289 4.629 4.340 -0.001 0.000 0.242 288 L C 2.331 179.087 176.870 -0.190 0.000 1.136 288 L CA 0.156 54.977 54.840 -0.032 0.000 0.933 288 L CB -0.338 41.745 42.059 0.040 0.000 1.241 288 L HN -0.032 nan 8.230 nan 0.000 0.522 289 G N 1.726 110.422 108.800 -0.173 0.000 2.484 289 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.215 289 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.215 289 G C -0.850 173.932 174.900 -0.196 0.000 1.219 289 G CA 0.698 45.634 45.100 -0.273 0.000 0.791 289 G HN 0.239 nan 8.290 nan 0.000 0.550 290 P HA 0.015 nan 4.420 nan 0.000 0.225 290 P C 1.700 179.136 177.300 0.226 0.000 1.148 290 P CA 1.169 64.294 63.100 0.043 0.000 0.779 290 P CB -0.090 31.566 31.700 -0.074 0.000 0.780 291 T N -0.572 114.089 114.554 0.179 0.000 2.995 291 T HA -0.080 4.269 4.350 -0.001 0.000 0.269 291 T C 1.634 176.432 174.700 0.165 0.000 1.091 291 T CA 0.909 63.142 62.100 0.221 0.000 1.128 291 T CB -0.412 68.553 68.868 0.163 0.000 0.891 291 T HN 0.110 nan 8.240 nan 0.000 0.492 292 Q N 0.414 120.200 119.800 -0.024 0.000 2.291 292 Q HA 0.060 4.399 4.340 -0.001 0.000 0.205 292 Q C 2.307 178.352 176.000 0.075 0.000 0.970 292 Q CA 0.948 56.739 55.803 -0.019 0.000 0.876 292 Q CB -0.617 27.945 28.738 -0.295 0.000 0.935 292 Q HN 0.557 nan 8.270 nan 0.000 0.455 293 G N 0.369 109.230 108.800 0.103 0.000 3.042 293 G HA2 0.054 4.014 3.960 -0.001 0.000 0.212 293 G HA3 0.054 4.014 3.960 -0.001 0.000 0.212 293 G C 1.370 176.350 174.900 0.134 0.000 1.166 293 G CA 0.554 45.733 45.100 0.131 0.000 0.767 293 G HN 0.325 nan 8.290 nan 0.000 0.546 294 V N 0.063 120.029 119.914 0.086 0.000 2.667 294 V HA 0.124 4.244 4.120 -0.001 0.000 0.252 294 V C 2.409 178.467 176.094 -0.060 0.000 1.065 294 V CA 2.107 64.414 62.300 0.012 0.000 1.083 294 V CB -0.492 31.278 31.823 -0.088 0.000 0.692 294 V HN 0.177 nan 8.190 nan 0.000 0.468 295 G N -0.897 107.842 108.800 -0.103 0.000 2.446 295 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.217 295 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.217 295 G C 1.513 176.376 174.900 -0.062 0.000 1.168 295 G CA 1.346 46.355 45.100 -0.152 0.000 0.771 295 G HN 0.639 nan 8.290 nan 0.000 0.551 296 Y N 1.831 122.088 120.300 -0.071 0.000 2.242 296 Y HA 0.126 4.676 4.550 -0.001 0.000 0.291 296 Y C 2.960 178.852 175.900 -0.012 0.000 1.137 296 Y CA 1.112 59.196 58.100 -0.027 0.000 1.181 296 Y CB -0.242 38.224 38.460 0.010 0.000 0.989 296 Y HN 0.252 nan 8.280 nan 0.000 0.527 297 A N 0.351 123.244 122.820 0.121 0.000 1.940 297 A HA -0.223 4.097 4.320 -0.001 0.000 0.219 297 A C 2.026 179.573 177.584 -0.062 0.000 1.176 297 A CA 1.979 54.049 52.037 0.055 0.000 0.631 297 A CB -0.651 18.398 19.000 0.082 0.000 0.814 297 A HN 0.570 nan 8.150 nan 0.000 0.446 298 N N -0.305 118.333 118.700 -0.104 0.000 2.300 298 N HA -0.084 4.655 4.740 -0.001 0.000 0.179 298 N C 1.601 176.999 175.510 -0.188 0.000 1.016 298 N CA 1.221 54.186 53.050 -0.142 0.000 0.876 298 N CB -0.279 38.111 38.487 -0.161 0.000 0.979 298 N HN 0.661 nan 8.380 nan 0.000 0.432 299 E N 0.886 120.941 120.200 -0.241 0.000 2.051 299 E HA -0.150 4.199 4.350 -0.001 0.000 0.192 299 E C 1.954 178.481 176.600 -0.121 0.000 0.991 299 E CA 0.571 56.849 56.400 -0.205 0.000 0.799 299 E CB -0.130 29.414 29.700 -0.261 0.000 0.748 299 E HN 0.110 nan 8.360 nan 0.000 0.449 300 L N 1.311 122.375 121.223 -0.266 0.000 2.042 300 L HA -0.203 4.136 4.340 -0.001 0.000 0.210 300 L C 2.097 178.889 176.870 -0.130 0.000 1.076 300 L CA 1.553 56.282 54.840 -0.185 0.000 0.749 300 L CB -0.251 41.746 42.059 -0.102 0.000 0.893 300 L HN 0.113 nan 8.230 nan 0.000 0.432 301 I N -0.478 120.028 120.570 -0.106 0.000 2.163 301 I HA -0.353 3.817 4.170 -0.001 0.000 0.243 301 I C 2.657 178.701 176.117 -0.121 0.000 1.085 301 I CA 1.314 62.553 61.300 -0.101 0.000 1.347 301 I CB -0.664 37.284 38.000 -0.086 0.000 1.044 301 I HN 0.420 nan 8.210 nan 0.000 0.408 302 A N 0.897 123.659 122.820 -0.096 0.000 1.896 302 A HA -0.304 4.015 4.320 -0.001 0.000 0.220 302 A C 2.375 179.903 177.584 -0.093 0.000 1.206 302 A CA 2.196 54.201 52.037 -0.054 0.000 0.647 302 A CB -0.781 18.261 19.000 0.071 0.000 0.828 302 A HN 0.367 nan 8.150 nan 0.000 0.455 303 R N -0.846 119.575 120.500 -0.131 0.000 2.081 303 R HA 0.005 4.345 4.340 -0.001 0.000 0.235 303 R C 2.106 178.151 176.300 -0.425 0.000 1.131 303 R CA 1.429 57.396 56.100 -0.222 0.000 0.960 303 R CB -0.449 29.675 30.300 -0.294 0.000 0.856 303 R HN 0.533 nan 8.270 nan 0.000 0.436 304 L N 0.150 121.072 121.223 -0.501 0.000 2.156 304 L HA -0.076 4.263 4.340 -0.001 0.000 0.208 304 L C 2.016 178.515 176.870 -0.619 0.000 1.095 304 L CA 1.368 55.804 54.840 -0.674 0.000 0.770 304 L CB -0.343 41.453 42.059 -0.438 0.000 0.914 304 L HN 0.363 nan 8.230 nan 0.000 0.439 305 T N -5.566 108.728 114.554 -0.433 0.000 3.069 305 T HA 0.047 4.396 4.350 -0.001 0.000 0.252 305 T C 0.566 175.168 174.700 -0.163 0.000 1.053 305 T CA -0.362 61.585 62.100 -0.255 0.000 0.964 305 T CB -0.129 68.685 68.868 -0.090 0.000 1.005 305 T HN 0.314 nan 8.240 nan 0.000 0.532 306 H N 0.609 119.675 119.070 -0.007 0.000 2.655 306 H HA -0.119 4.436 4.556 -0.001 0.000 0.313 306 H C -0.455 174.881 175.328 0.014 0.000 1.141 306 H CA 0.811 56.869 56.048 0.016 0.000 1.138 306 H CB -2.319 27.457 29.762 0.024 0.000 1.446 306 H HN 0.464 nan 8.280 nan 0.000 0.415 307 S N 0.005 115.736 115.700 0.051 0.000 2.634 307 S HA 0.506 4.976 4.470 -0.001 0.000 0.296 307 S C -2.251 172.329 174.600 -0.034 0.000 1.104 307 S CA -1.289 56.929 58.200 0.031 0.000 0.920 307 S CB 2.840 66.064 63.200 0.040 0.000 1.111 307 S HN -0.042 nan 8.310 nan 0.000 0.493 308 P HA 0.076 nan 4.420 nan 0.000 0.267 308 P C -0.876 176.104 177.300 -0.533 0.000 1.201 308 P CA -0.260 62.707 63.100 -0.221 0.000 0.775 308 P CB 0.219 31.812 31.700 -0.178 0.000 0.854 309 V N 3.286 122.924 119.914 -0.461 0.000 2.572 309 V HA 0.023 4.143 4.120 -0.001 0.000 0.291 309 V C 0.370 176.107 176.094 -0.595 0.000 1.039 309 V CA 0.321 62.312 62.300 -0.514 0.000 1.055 309 V CB -0.707 30.767 31.823 -0.582 0.000 0.969 309 V HN 0.520 nan 8.190 nan 0.000 0.482 310 H N 2.931 121.917 119.070 -0.141 0.000 2.673 310 H HA 0.639 5.194 4.556 -0.001 0.000 0.293 310 H C -0.608 174.636 175.328 -0.139 0.000 1.065 310 H CA -0.414 55.569 56.048 -0.108 0.000 1.236 310 H CB 0.913 30.628 29.762 -0.077 0.000 1.389 310 H HN 0.836 nan 8.280 nan 0.000 0.481 311 D N 1.309 121.674 120.400 -0.058 0.000 2.787 311 D HA 0.084 4.723 4.640 -0.001 0.000 0.215 311 D C -0.886 175.358 176.300 -0.094 0.000 1.246 311 D CA -0.448 53.466 54.000 -0.143 0.000 0.798 311 D CB 1.549 42.190 40.800 -0.265 0.000 1.649 311 D HN 0.436 nan 8.370 nan 0.000 0.507 312 D N 1.697 122.026 120.400 -0.118 0.000 2.582 312 D HA 0.137 4.776 4.640 -0.001 0.000 0.246 312 D C 0.961 177.096 176.300 -0.275 0.000 1.334 312 D CA 0.743 54.713 54.000 -0.051 0.000 0.805 312 D CB 0.715 41.516 40.800 0.001 0.000 1.087 312 D HN 0.400 nan 8.370 nan 0.000 0.499 313 T N -2.737 111.462 114.554 -0.592 0.000 3.538 313 T HA 0.020 4.369 4.350 -0.001 0.000 0.204 313 T C 1.673 175.587 174.700 -1.310 0.000 0.870 313 T CA 1.240 62.435 62.100 -1.508 0.000 1.727 313 T CB -0.499 67.530 68.868 -1.399 0.000 1.685 313 T HN -0.058 nan 8.240 nan 0.000 0.454 314 S N 1.046 116.169 115.700 -0.962 0.000 2.524 314 S HA 0.267 4.737 4.470 -0.001 0.000 0.215 314 S C 1.012 175.461 174.600 -0.251 0.000 0.986 314 S CA 0.047 57.944 58.200 -0.506 0.000 0.911 314 S CB -0.635 62.365 63.200 -0.333 0.000 0.805 314 S HN 0.869 nan 8.310 nan 0.000 0.501 315 S N 2.612 118.127 115.700 -0.308 0.000 2.564 315 S HA 0.322 4.792 4.470 -0.001 0.000 0.278 315 S C -0.193 174.255 174.600 -0.253 0.000 1.333 315 S CA -0.715 57.307 58.200 -0.296 0.000 1.048 315 S CB 0.362 63.298 63.200 -0.440 0.000 0.900 315 S HN 0.386 nan 8.310 nan 0.000 0.505 316 N N 1.151 119.744 118.700 -0.178 0.000 2.444 316 N HA 0.105 4.844 4.740 -0.001 0.000 0.271 316 N C 0.784 176.193 175.510 -0.169 0.000 1.069 316 N CA -0.224 52.771 53.050 -0.091 0.000 0.965 316 N CB 0.256 38.733 38.487 -0.017 0.000 1.092 316 N HN 0.739 nan 8.380 nan 0.000 0.476 317 H N 2.210 121.235 119.070 -0.076 0.000 2.436 317 H HA -0.030 4.526 4.556 -0.000 0.000 0.294 317 H C 0.893 176.189 175.328 -0.055 0.000 1.048 317 H CA 1.347 57.345 56.048 -0.084 0.000 1.353 317 H CB 0.383 30.104 29.762 -0.068 0.000 1.414 317 H HN 0.558 nan 8.280 nan 0.000 0.536 318 T N 1.721 116.326 114.554 0.086 0.000 2.652 318 T HA -0.128 4.222 4.350 -0.001 0.000 0.267 318 T C 2.189 176.911 174.700 0.037 0.000 1.039 318 T CA 0.774 62.907 62.100 0.054 0.000 1.153 318 T CB -0.330 68.569 68.868 0.052 0.000 0.863 318 T HN 0.024 nan 8.240 nan 0.000 0.428 319 L N 1.333 122.571 121.223 0.025 0.000 2.046 319 L HA -0.053 4.287 4.340 -0.001 0.000 0.208 319 L C 1.964 178.849 176.870 0.025 0.000 1.077 319 L CA 1.790 56.657 54.840 0.045 0.000 0.747 319 L CB -0.862 41.226 42.059 0.048 0.000 0.896 319 L HN 0.160 nan 8.230 nan 0.000 0.432 320 D N -1.900 118.430 120.400 -0.116 0.000 2.289 320 D HA -0.034 4.606 4.640 -0.001 0.000 0.207 320 D C 2.017 178.240 176.300 -0.129 0.000 0.966 320 D CA 1.033 54.870 54.000 -0.271 0.000 0.868 320 D CB 0.052 40.468 40.800 -0.639 0.000 0.943 320 D HN 0.345 nan 8.370 nan 0.000 0.514 321 S N -0.937 114.731 115.700 -0.054 0.000 2.660 321 S HA 0.139 4.608 4.470 -0.001 0.000 0.227 321 S C 0.557 175.173 174.600 0.027 0.000 0.948 321 S CA -0.549 57.644 58.200 -0.010 0.000 0.948 321 S CB -0.102 63.107 63.200 0.015 0.000 0.779 321 S HN -0.002 nan 8.310 nan 0.000 0.487 322 S N 1.339 117.069 115.700 0.050 0.000 2.605 322 S HA 0.576 5.046 4.470 -0.001 0.000 0.308 322 S C -2.356 172.274 174.600 0.050 0.000 1.113 322 S CA -1.481 56.749 58.200 0.050 0.000 1.049 322 S CB 1.694 64.925 63.200 0.052 0.000 1.001 322 S HN 0.006 nan 8.310 nan 0.000 0.480 323 P HA -0.043 nan 4.420 nan 0.000 0.216 323 P C 1.511 178.764 177.300 -0.079 0.000 1.150 323 P CA 1.579 64.659 63.100 -0.032 0.000 0.837 323 P CB -0.008 31.675 31.700 -0.027 0.000 0.786 324 A N -0.274 122.538 122.820 -0.013 0.000 1.917 324 A HA -0.204 4.115 4.320 -0.001 0.000 0.219 324 A C 2.101 179.731 177.584 0.078 0.000 1.182 324 A CA 2.856 54.909 52.037 0.027 0.000 0.633 324 A CB -1.805 17.232 19.000 0.062 0.000 0.819 324 A HN 0.382 nan 8.150 nan 0.000 0.448 325 T N -6.019 108.596 114.554 0.100 0.000 3.001 325 T HA 0.390 4.740 4.350 -0.001 0.000 0.251 325 T C 0.097 174.937 174.700 0.233 0.000 1.040 325 T CA 0.207 62.458 62.100 0.252 0.000 0.985 325 T CB 0.060 69.054 68.868 0.210 0.000 1.011 325 T HN 0.275 nan 8.240 nan 0.000 0.509 326 F N 3.470 123.320 119.950 -0.167 0.000 2.971 326 F HA 0.418 4.945 4.527 -0.001 0.000 0.373 326 F C -2.946 172.676 175.800 -0.297 0.000 1.288 326 F CA -2.469 55.390 58.000 -0.235 0.000 1.204 326 F CB 1.563 40.498 39.000 -0.109 0.000 1.852 326 F HN -0.142 nan 8.300 nan 0.000 0.624 327 P HA 0.225 nan 4.420 nan 0.000 0.279 327 P C 0.346 177.454 177.300 -0.319 0.000 1.239 327 P CA -0.142 62.692 63.100 -0.443 0.000 0.789 327 P CB 1.895 33.293 31.700 -0.503 0.000 0.933 328 L N 1.627 122.783 121.223 -0.111 0.000 2.585 328 L HA 0.191 4.530 4.340 -0.001 0.000 0.226 328 L C 1.029 178.031 176.870 0.220 0.000 1.113 328 L CA 0.503 55.356 54.840 0.022 0.000 0.876 328 L CB -0.345 41.760 42.059 0.077 0.000 1.072 328 L HN 0.355 nan 8.230 nan 0.000 0.468 329 N N -0.817 117.967 118.700 0.139 0.000 2.377 329 N HA 0.165 4.904 4.740 -0.001 0.000 0.259 329 N C -0.089 175.450 175.510 0.048 0.000 1.332 329 N CA -0.002 53.135 53.050 0.144 0.000 0.877 329 N CB 1.030 39.528 38.487 0.018 0.000 1.299 329 N HN 0.018 nan 8.380 nan 0.000 0.501 330 S N -0.472 115.214 115.700 -0.023 0.000 2.641 330 S HA 0.243 4.712 4.470 -0.001 0.000 0.261 330 S C 1.330 175.830 174.600 -0.167 0.000 1.257 330 S CA 0.141 58.180 58.200 -0.268 0.000 0.983 330 S CB 1.236 63.998 63.200 -0.730 0.000 0.990 330 S HN 0.121 nan 8.310 nan 0.000 0.572 331 T N 0.086 114.479 114.554 -0.267 0.000 2.954 331 T HA 0.357 4.707 4.350 -0.001 0.000 0.252 331 T C -0.157 174.333 174.700 -0.350 0.000 0.983 331 T CA 0.133 62.145 62.100 -0.146 0.000 0.941 331 T CB -0.020 68.807 68.868 -0.067 0.000 1.141 331 T HN 0.279 nan 8.240 nan 0.000 0.500 332 L N 0.908 121.876 121.223 -0.424 0.000 2.370 332 L HA 0.677 5.016 4.340 -0.001 0.000 0.266 332 L C -1.612 174.987 176.870 -0.451 0.000 1.002 332 L CA -1.181 53.473 54.840 -0.310 0.000 0.818 332 L CB 2.039 44.063 42.059 -0.058 0.000 1.325 332 L HN 0.073 nan 8.230 nan 0.000 0.418 333 Y N 0.592 120.794 120.300 -0.163 0.000 2.519 333 Y HA 0.706 5.255 4.550 -0.001 0.000 0.336 333 Y C -0.421 175.349 175.900 -0.217 0.000 1.089 333 Y CA -0.796 57.221 58.100 -0.138 0.000 1.025 333 Y CB 2.421 40.792 38.460 -0.150 0.000 1.318 333 Y HN 0.579 nan 8.280 nan 0.000 0.452 334 A N 2.660 125.426 122.820 -0.090 0.000 2.381 334 A HA 0.734 5.054 4.320 -0.001 0.000 0.299 334 A C -1.702 175.723 177.584 -0.265 0.000 1.049 334 A CA -0.660 51.160 52.037 -0.363 0.000 0.715 334 A CB 1.071 19.768 19.000 -0.504 0.000 1.222 334 A HN 0.624 nan 8.150 nan 0.000 0.428 335 D N 0.887 121.031 120.400 -0.428 0.000 2.457 335 D HA 0.685 5.325 4.640 -0.001 0.000 0.240 335 D C -1.469 174.432 176.300 -0.665 0.000 1.041 335 D CA 0.243 54.090 54.000 -0.255 0.000 0.861 335 D CB 1.899 42.720 40.800 0.035 0.000 1.394 335 D HN 0.315 nan 8.370 nan 0.000 0.473 336 F N 0.462 120.321 119.950 -0.152 0.000 2.539 336 F HA 0.447 4.973 4.527 -0.002 0.000 0.318 336 F C 0.533 176.254 175.800 -0.130 0.000 1.135 336 F CA -0.409 57.491 58.000 -0.167 0.000 0.915 336 F CB 2.273 41.167 39.000 -0.177 0.000 1.176 336 F HN 0.141 nan 8.300 nan 0.000 0.440 337 S N 0.705 116.389 115.700 -0.026 0.000 2.800 337 S HA 0.508 4.978 4.470 -0.001 0.000 0.293 337 S C -1.468 173.045 174.600 -0.146 0.000 1.209 337 S CA -0.671 57.484 58.200 -0.076 0.000 0.884 337 S CB 1.046 64.208 63.200 -0.062 0.000 1.244 337 S HN 0.622 nan 8.310 nan 0.000 0.540 338 H N 1.183 120.292 119.070 0.065 0.000 2.544 338 H HA 0.225 4.781 4.556 -0.000 0.000 0.342 338 H C 0.432 175.739 175.328 -0.035 0.000 1.185 338 H CA -0.018 56.071 56.048 0.068 0.000 1.264 338 H CB 0.874 30.709 29.762 0.122 0.000 1.607 338 H HN 0.809 nan 8.280 nan 0.000 0.550 339 D N 0.810 121.260 120.400 0.082 0.000 2.133 339 D HA -0.233 4.406 4.640 -0.001 0.000 0.192 339 D C 0.989 177.270 176.300 -0.032 0.000 1.001 339 D CA 1.418 55.416 54.000 -0.003 0.000 0.844 339 D CB -0.268 40.520 40.800 -0.020 0.000 0.944 339 D HN 0.341 nan 8.370 nan 0.000 0.447 340 N N 0.612 119.258 118.700 -0.090 0.000 2.084 340 N HA -0.043 4.696 4.740 -0.001 0.000 0.190 340 N C 2.102 177.494 175.510 -0.197 0.000 1.030 340 N CA 1.757 54.586 53.050 -0.368 0.000 0.849 340 N CB -0.936 37.115 38.487 -0.726 0.000 1.012 340 N HN 0.505 nan 8.380 nan 0.000 0.423 341 G N 0.490 109.259 108.800 -0.052 0.000 2.471 341 G HA2 -0.099 3.860 3.960 -0.001 0.000 0.219 341 G HA3 -0.099 3.860 3.960 -0.001 0.000 0.219 341 G C 1.608 176.494 174.900 -0.023 0.000 1.125 341 G CA 0.161 45.260 45.100 -0.001 0.000 0.775 341 G HN 0.260 nan 8.290 nan 0.000 0.548 342 I N 0.526 121.078 120.570 -0.030 0.000 2.480 342 I HA -0.022 4.147 4.170 -0.001 0.000 0.251 342 I C 2.409 178.555 176.117 0.048 0.000 1.124 342 I CA 0.115 61.387 61.300 -0.046 0.000 1.444 342 I CB 0.006 37.968 38.000 -0.064 0.000 1.098 342 I HN 0.051 nan 8.210 nan 0.000 0.428 343 I N 0.536 121.164 120.570 0.098 0.000 2.099 343 I HA -0.284 3.886 4.170 -0.001 0.000 0.239 343 I C 2.642 178.933 176.117 0.289 0.000 1.066 343 I CA 1.627 63.070 61.300 0.240 0.000 1.324 343 I CB -1.219 36.928 38.000 0.245 0.000 1.037 343 I HN 0.174 nan 8.210 nan 0.000 0.401 344 S N 1.015 116.824 115.700 0.182 0.000 2.387 344 S HA -0.171 4.298 4.470 -0.001 0.000 0.230 344 S C 2.059 176.764 174.600 0.174 0.000 1.035 344 S CA 1.371 59.662 58.200 0.151 0.000 1.014 344 S CB -0.402 62.838 63.200 0.067 0.000 0.836 344 S HN 0.360 nan 8.310 nan 0.000 0.466 345 I N 1.235 121.877 120.570 0.119 0.000 2.202 345 I HA -0.168 4.002 4.170 -0.001 0.000 0.242 345 I C 2.123 178.336 176.117 0.160 0.000 1.091 345 I CA 1.009 62.376 61.300 0.113 0.000 1.368 345 I CB -0.439 37.537 38.000 -0.040 0.000 1.058 345 I HN 0.230 nan 8.210 nan 0.000 0.410 346 L N -0.237 121.080 121.223 0.157 0.000 2.013 346 L HA -0.254 4.086 4.340 -0.001 0.000 0.212 346 L C 2.587 179.524 176.870 0.111 0.000 1.073 346 L CA 1.738 56.666 54.840 0.147 0.000 0.753 346 L CB -0.685 41.485 42.059 0.186 0.000 0.890 346 L HN 0.150 nan 8.230 nan 0.000 0.432 347 F N -0.138 119.901 119.950 0.148 0.000 2.146 347 F HA -0.132 4.395 4.527 -0.001 0.000 0.298 347 F C 2.613 178.425 175.800 0.020 0.000 1.096 347 F CA 1.138 59.176 58.000 0.063 0.000 1.275 347 F CB -0.640 38.325 39.000 -0.058 0.000 1.008 347 F HN -0.012 nan 8.300 nan 0.000 0.480 348 A N -0.266 122.699 122.820 0.241 0.000 2.125 348 A HA -0.095 4.224 4.320 -0.001 0.000 0.219 348 A C 1.996 179.690 177.584 0.183 0.000 1.156 348 A CA 1.125 53.301 52.037 0.232 0.000 0.671 348 A CB -0.970 18.195 19.000 0.275 0.000 0.794 348 A HN 0.440 nan 8.150 nan 0.000 0.459 349 L N -1.581 119.737 121.223 0.159 0.000 2.591 349 L HA 0.190 4.529 4.340 -0.001 0.000 0.228 349 L C 1.768 178.710 176.870 0.119 0.000 1.133 349 L CA 0.538 55.467 54.840 0.149 0.000 0.880 349 L CB -0.082 42.104 42.059 0.211 0.000 1.033 349 L HN 0.560 nan 8.230 nan 0.000 0.450 350 G N 0.057 108.902 108.800 0.075 0.000 2.179 350 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.260 350 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.260 350 G C 0.874 175.775 174.900 0.003 0.000 0.977 350 G CA 0.417 45.544 45.100 0.044 0.000 0.641 350 G HN 0.319 nan 8.290 nan 0.000 0.533 351 L N -1.359 119.825 121.223 -0.065 0.000 2.353 351 L HA 0.073 4.413 4.340 -0.001 0.000 0.220 351 L C 1.599 178.062 176.870 -0.678 0.000 1.133 351 L CA 1.005 55.673 54.840 -0.286 0.000 0.798 351 L CB -0.194 41.635 42.059 -0.383 0.000 0.922 351 L HN 0.358 nan 8.230 nan 0.000 0.445 352 Y N -1.791 118.358 120.300 -0.252 0.000 2.713 352 Y HA 0.200 4.749 4.550 -0.001 0.000 0.269 352 Y C 1.011 176.773 175.900 -0.230 0.000 1.106 352 Y CA -0.493 57.429 58.100 -0.296 0.000 1.174 352 Y CB -0.230 37.840 38.460 -0.650 0.000 1.186 352 Y HN -0.011 nan 8.280 nan 0.000 0.555 353 N N 0.035 118.490 118.700 -0.408 0.000 2.362 353 N HA 0.078 4.817 4.740 -0.001 0.000 0.204 353 N C 1.564 176.742 175.510 -0.554 0.000 1.166 353 N CA 0.510 53.291 53.050 -0.449 0.000 0.831 353 N CB 0.380 38.617 38.487 -0.416 0.000 1.008 353 N HN 0.488 nan 8.380 nan 0.000 0.472 354 G N -1.632 106.906 108.800 -0.436 0.000 3.228 354 G HA2 0.030 3.989 3.960 -0.001 0.000 0.245 354 G HA3 0.030 3.989 3.960 -0.001 0.000 0.245 354 G C 0.143 175.056 174.900 0.022 0.000 1.051 354 G CA -0.129 44.918 45.100 -0.088 0.000 0.809 354 G HN 0.098 nan 8.290 nan 0.000 0.531 355 T N 1.390 115.971 114.554 0.045 0.000 2.771 355 T HA 0.387 4.736 4.350 -0.001 0.000 0.291 355 T C -0.055 174.671 174.700 0.044 0.000 0.954 355 T CA -0.041 62.112 62.100 0.088 0.000 1.045 355 T CB 1.715 70.689 68.868 0.177 0.000 0.917 355 T HN 0.024 nan 8.240 nan 0.000 0.484 356 K N 3.999 124.400 120.400 0.002 0.000 2.205 356 K HA 0.362 4.682 4.320 -0.001 0.000 0.279 356 K C -2.349 174.197 176.600 -0.091 0.000 1.027 356 K CA -1.939 54.340 56.287 -0.013 0.000 0.932 356 K CB 0.556 33.054 32.500 -0.003 0.000 1.032 356 K HN 0.277 nan 8.250 nan 0.000 0.466 357 P HA -0.134 nan 4.420 nan 0.000 0.261 357 P C -0.769 176.405 177.300 -0.210 0.000 1.165 357 P CA 0.453 63.493 63.100 -0.101 0.000 0.759 357 P CB 0.285 32.072 31.700 0.144 0.000 0.772 358 L N 1.713 122.615 121.223 -0.535 0.000 2.416 358 L HA 0.134 4.474 4.340 -0.001 0.000 0.272 358 L C 1.183 178.109 176.870 0.093 0.000 1.161 358 L CA -0.358 54.348 54.840 -0.223 0.000 0.845 358 L CB 0.278 42.113 42.059 -0.373 0.000 1.119 358 L HN 0.401 nan 8.230 nan 0.000 0.464 359 S N 0.957 116.735 115.700 0.129 0.000 2.546 359 S HA -0.026 4.443 4.470 -0.001 0.000 0.290 359 S C 1.332 176.039 174.600 0.178 0.000 1.290 359 S CA -0.103 58.180 58.200 0.138 0.000 1.069 359 S CB 0.607 63.862 63.200 0.091 0.000 0.846 359 S HN 0.803 nan 8.310 nan 0.000 0.495 360 T N 1.041 115.671 114.554 0.126 0.000 3.118 360 T HA 0.022 4.371 4.350 -0.001 0.000 0.260 360 T C 1.440 176.309 174.700 0.281 0.000 1.139 360 T CA 1.002 63.169 62.100 0.111 0.000 1.085 360 T CB -0.455 68.405 68.868 -0.014 0.000 0.934 360 T HN 0.790 nan 8.240 nan 0.000 0.518 361 T N -1.619 113.107 114.554 0.285 0.000 2.989 361 T HA 0.240 4.590 4.350 -0.001 0.000 0.250 361 T C 0.601 175.518 174.700 0.360 0.000 0.981 361 T CA 0.074 62.370 62.100 0.326 0.000 0.980 361 T CB 0.231 69.195 68.868 0.159 0.000 1.133 361 T HN 0.395 nan 8.240 nan 0.000 0.489 362 T N 2.002 116.695 114.554 0.231 0.000 2.887 362 T HA 0.691 5.041 4.350 -0.001 0.000 0.288 362 T C -0.264 174.317 174.700 -0.198 0.000 1.021 362 T CA -0.713 61.447 62.100 0.100 0.000 1.000 362 T CB 2.092 70.960 68.868 -0.000 0.000 1.034 362 T HN 0.133 nan 8.240 nan 0.000 0.467 363 V N 2.633 122.335 119.914 -0.354 0.000 2.644 363 V HA 0.044 4.164 4.120 -0.001 0.000 0.305 363 V C 0.520 176.142 176.094 -0.787 0.000 1.053 363 V CA 0.442 62.176 62.300 -0.943 0.000 1.186 363 V CB -0.363 31.205 31.823 -0.426 0.000 0.895 363 V HN 0.852 nan 8.190 nan 0.000 0.490 364 E N 3.504 123.082 120.200 -1.036 0.000 2.165 364 E HA 0.310 4.659 4.350 -0.001 0.000 0.266 364 E C -0.342 176.139 176.600 -0.199 0.000 0.889 364 E CA -0.722 55.466 56.400 -0.353 0.000 0.756 364 E CB 1.366 31.000 29.700 -0.111 0.000 1.131 364 E HN 0.896 nan 8.360 nan 0.000 0.411 365 N N 1.873 120.482 118.700 -0.153 0.000 2.263 365 N HA -0.065 4.674 4.740 -0.001 0.000 0.239 365 N C 0.648 176.071 175.510 -0.146 0.000 1.317 365 N CA -0.307 52.666 53.050 -0.127 0.000 0.909 365 N CB 0.655 39.085 38.487 -0.095 0.000 1.171 365 N HN 0.462 nan 8.380 nan 0.000 0.492 366 I N -1.162 119.270 120.570 -0.229 0.000 2.916 366 I HA -0.121 4.048 4.170 -0.001 0.000 0.267 366 I C 1.293 177.284 176.117 -0.210 0.000 1.263 366 I CA 1.222 62.299 61.300 -0.371 0.000 1.471 366 I CB -0.660 36.847 38.000 -0.822 0.000 1.089 366 I HN 0.711 nan 8.210 nan 0.000 0.468 367 T N -0.176 114.311 114.554 -0.111 0.000 2.770 367 T HA -0.137 4.213 4.350 -0.001 0.000 0.258 367 T C 1.745 176.432 174.700 -0.021 0.000 1.039 367 T CA 1.270 63.347 62.100 -0.039 0.000 1.143 367 T CB -0.215 68.642 68.868 -0.017 0.000 0.866 367 T HN 0.413 nan 8.240 nan 0.000 0.428 368 Q N 1.147 120.926 119.800 -0.035 0.000 2.135 368 Q HA -0.115 4.224 4.340 -0.001 0.000 0.204 368 Q C 2.410 178.406 176.000 -0.007 0.000 0.981 368 Q CA 1.724 57.514 55.803 -0.022 0.000 0.856 368 Q CB -0.593 28.121 28.738 -0.040 0.000 0.902 368 Q HN 0.656 nan 8.270 nan 0.000 0.425 369 T N -2.507 112.041 114.554 -0.009 0.000 3.129 369 T HA 0.042 4.391 4.350 -0.001 0.000 0.251 369 T C 0.232 174.986 174.700 0.090 0.000 1.117 369 T CA 0.416 62.534 62.100 0.030 0.000 1.034 369 T CB 0.027 68.927 68.868 0.053 0.000 0.968 369 T HN 0.263 nan 8.240 nan 0.000 0.526 370 D N 1.050 121.492 120.400 0.071 0.000 2.689 370 D HA -0.124 4.515 4.640 -0.001 0.000 0.237 370 D C 1.121 177.546 176.300 0.207 0.000 1.148 370 D CA 1.475 55.549 54.000 0.123 0.000 0.656 370 D CB -1.557 39.326 40.800 0.139 0.000 1.050 370 D HN 0.950 nan 8.370 nan 0.000 0.426 371 G N -0.778 108.097 108.800 0.126 0.000 2.157 371 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.248 371 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.248 371 G C 0.113 175.167 174.900 0.257 0.000 0.979 371 G CA 0.005 45.232 45.100 0.212 0.000 0.650 371 G HN 0.721 nan 8.290 nan 0.000 0.529 372 F N 2.596 122.526 119.950 -0.032 0.000 2.415 372 F HA 0.695 5.223 4.527 0.000 0.000 0.348 372 F C 0.337 176.003 175.800 -0.224 0.000 1.119 372 F CA -0.175 57.669 58.000 -0.260 0.000 1.069 372 F CB 1.768 40.547 39.000 -0.367 0.000 1.124 372 F HN 0.671 nan 8.300 nan 0.000 0.472 373 S N 2.718 117.592 115.700 -1.376 0.000 2.567 373 S HA 0.290 4.759 4.470 -0.001 0.000 0.270 373 S C 0.061 174.086 174.600 -0.958 0.000 1.152 373 S CA -0.405 57.149 58.200 -1.077 0.000 0.835 373 S CB 1.199 64.093 63.200 -0.509 0.000 1.115 373 S HN 0.534 nan 8.310 nan 0.000 0.459 374 S N 0.985 116.344 115.700 -0.567 0.000 2.359 374 S HA -0.119 4.350 4.470 -0.001 0.000 0.223 374 S C 2.212 176.711 174.600 -0.168 0.000 1.039 374 S CA 1.904 59.927 58.200 -0.295 0.000 1.042 374 S CB -0.996 62.102 63.200 -0.171 0.000 0.915 374 S HN 1.084 nan 8.310 nan 0.000 0.439 375 A N -0.247 122.548 122.820 -0.041 0.000 1.969 375 A HA -0.073 4.247 4.320 -0.001 0.000 0.218 375 A C 1.581 179.232 177.584 0.112 0.000 1.169 375 A CA 1.055 53.174 52.037 0.137 0.000 0.635 375 A CB -0.692 18.519 19.000 0.353 0.000 0.810 375 A HN 0.669 nan 8.150 nan 0.000 0.445 376 W N 0.385 121.548 121.300 -0.230 0.000 3.047 376 W HA 0.089 4.750 4.660 0.002 0.000 0.250 376 W C 2.195 178.563 176.519 -0.251 0.000 1.314 376 W CA 1.365 58.550 57.345 -0.268 0.000 1.540 376 W CB -0.285 29.070 29.460 -0.174 0.000 1.127 376 W HN 0.567 nan 8.180 nan 0.000 0.679 377 T N -4.552 109.954 114.554 -0.080 0.000 3.221 377 T HA 0.096 4.446 4.350 -0.001 0.000 0.250 377 T C 0.860 175.524 174.700 -0.060 0.000 0.988 377 T CA 0.874 62.936 62.100 -0.062 0.000 1.163 377 T CB -0.443 68.367 68.868 -0.096 0.000 1.098 377 T HN -0.154 nan 8.240 nan 0.000 0.422 378 V N 0.893 120.760 119.914 -0.078 0.000 2.611 378 V HA 0.559 4.678 4.120 -0.001 0.000 0.286 378 V C -2.932 173.109 176.094 -0.089 0.000 1.118 378 V CA -2.474 59.784 62.300 -0.070 0.000 1.334 378 V CB -0.120 31.670 31.823 -0.054 0.000 1.555 378 V HN 0.246 nan 8.190 nan 0.000 0.594 379 P HA 0.270 nan 4.420 nan 0.000 0.277 379 P C -0.042 177.272 177.300 0.023 0.000 1.276 379 P CA -0.344 62.736 63.100 -0.034 0.000 0.788 379 P CB 0.684 32.397 31.700 0.021 0.000 1.114 380 F N -0.621 119.416 119.950 0.146 0.000 2.607 380 F HA 0.200 4.727 4.527 -0.001 0.000 0.374 380 F C 1.739 177.606 175.800 0.111 0.000 1.104 380 F CA 1.199 59.276 58.000 0.128 0.000 1.296 380 F CB -1.267 37.862 39.000 0.216 0.000 1.085 380 F HN 0.593 nan 8.300 nan 0.000 0.584 381 A N 1.771 124.730 122.820 0.232 0.000 2.847 381 A HA -0.230 4.089 4.320 -0.001 0.000 0.263 381 A C 1.044 178.598 177.584 -0.050 0.000 1.391 381 A CA 0.653 52.740 52.037 0.084 0.000 0.866 381 A CB -2.477 16.577 19.000 0.090 0.000 1.057 381 A HN 1.222 nan 8.150 nan 0.000 0.673 382 S N 0.029 115.721 115.700 -0.012 0.000 2.560 382 S HA 0.426 4.896 4.470 -0.001 0.000 0.276 382 S C 0.306 174.786 174.600 -0.201 0.000 1.350 382 S CA 0.622 58.779 58.200 -0.072 0.000 1.024 382 S CB 0.598 63.763 63.200 -0.058 0.000 0.864 382 S HN 1.841 nan 8.310 nan 0.000 0.536 383 R N 1.422 121.767 120.500 -0.259 0.000 2.651 383 R HA 0.643 4.983 4.340 -0.001 0.000 0.278 383 R C -1.847 174.250 176.300 -0.337 0.000 1.010 383 R CA -1.107 54.797 56.100 -0.327 0.000 0.896 383 R CB 0.548 30.610 30.300 -0.397 0.000 1.211 383 R HN 0.689 nan 8.270 nan 0.000 0.456 384 L N 2.332 123.402 121.223 -0.254 0.000 2.322 384 L HA 0.563 4.902 4.340 -0.001 0.000 0.281 384 L C -1.602 175.237 176.870 -0.052 0.000 1.014 384 L CA -0.591 54.155 54.840 -0.157 0.000 0.815 384 L CB 1.141 43.172 42.059 -0.046 0.000 1.247 384 L HN 0.489 nan 8.230 nan 0.000 0.421 385 Y N 4.438 124.794 120.300 0.093 0.000 2.328 385 Y HA 0.559 5.107 4.550 -0.003 0.000 0.337 385 Y C -0.164 175.812 175.900 0.127 0.000 0.966 385 Y CA -1.269 56.920 58.100 0.149 0.000 1.136 385 Y CB 1.625 40.248 38.460 0.272 0.000 1.170 385 Y HN 0.285 nan 8.280 nan 0.000 0.470 386 V N 4.813 124.903 119.914 0.293 0.000 2.407 386 V HA 0.368 4.487 4.120 -0.001 0.000 0.278 386 V C -0.212 176.038 176.094 0.259 0.000 1.037 386 V CA -0.874 61.564 62.300 0.230 0.000 0.900 386 V CB 0.968 32.937 31.823 0.243 0.000 0.983 386 V HN 0.759 nan 8.190 nan 0.000 0.459 387 E N 4.793 125.102 120.200 0.182 0.000 2.263 387 E HA 0.770 5.119 4.350 -0.001 0.000 0.264 387 E C -0.832 175.839 176.600 0.118 0.000 0.923 387 E CA -1.014 55.500 56.400 0.190 0.000 0.802 387 E CB 2.734 32.536 29.700 0.169 0.000 1.228 387 E HN 0.549 nan 8.360 nan 0.000 0.417 388 M N 3.099 122.797 119.600 0.165 0.000 2.326 388 M HA 0.443 4.923 4.480 -0.001 0.000 0.306 388 M C -1.504 174.848 176.300 0.087 0.000 1.054 388 M CA -0.477 54.856 55.300 0.054 0.000 0.922 388 M CB 1.619 34.209 32.600 -0.016 0.000 1.632 388 M HN 0.759 nan 8.290 nan 0.000 0.436 389 M N 2.031 121.658 119.600 0.044 0.000 2.619 389 M HA 0.660 5.140 4.480 -0.001 0.000 0.297 389 M C -1.570 174.747 176.300 0.030 0.000 1.229 389 M CA -0.914 54.414 55.300 0.046 0.000 0.860 389 M CB 2.248 34.871 32.600 0.039 0.000 1.741 389 M HN 0.608 nan 8.290 nan 0.000 0.462 390 Q N 1.096 120.913 119.800 0.029 0.000 2.316 390 Q HA 0.643 4.983 4.340 -0.001 0.000 0.264 390 Q C -1.870 174.138 176.000 0.013 0.000 0.987 390 Q CA -0.143 55.672 55.803 0.020 0.000 0.852 390 Q CB 2.031 30.783 28.738 0.023 0.000 1.287 390 Q HN 0.913 nan 8.270 nan 0.000 0.448 391 c N 2.051 120.656 118.600 0.009 0.000 2.595 391 c HA 0.660 5.230 4.570 -0.001 0.000 0.338 391 c C 1.646 175.738 174.090 0.003 0.000 1.219 391 c CA 0.069 56.401 56.329 0.005 0.000 1.811 391 c CB 1.342 43.853 42.510 0.003 0.000 2.313 391 c HN 1.031 nan 8.230 nan 0.000 0.499 392 Q N 0.658 120.459 119.800 0.001 0.000 2.030 392 Q HA -0.083 4.257 4.340 -0.001 0.000 0.204 392 Q C 2.062 178.062 176.000 0.001 0.000 0.986 392 Q CA 2.332 58.136 55.803 0.000 0.000 0.843 392 Q CB -1.001 27.737 28.738 -0.001 0.000 0.904 392 Q HN 1.109 nan 8.270 nan 0.000 0.420 393 A N -0.110 122.711 122.820 0.000 0.000 2.206 393 A HA 0.351 4.671 4.320 -0.001 0.000 0.211 393 A C 0.873 178.458 177.584 0.002 0.000 1.158 393 A CA 1.233 53.270 52.037 0.001 0.000 0.761 393 A CB 0.091 19.091 19.000 0.000 0.000 0.801 393 A HN 0.611 nan 8.150 nan 0.000 0.473 394 E N -2.939 117.263 120.200 0.003 0.000 2.308 394 E HA 0.546 4.896 4.350 -0.001 0.000 0.275 394 E C 0.597 177.201 176.600 0.005 0.000 0.890 394 E CA 0.181 56.584 56.400 0.004 0.000 0.754 394 E CB 1.096 30.798 29.700 0.003 0.000 1.207 394 E HN 0.053 nan 8.360 nan 0.000 0.426 395 Q N 3.066 122.869 119.800 0.006 0.000 2.167 395 Q HA 0.010 4.350 4.340 -0.001 0.000 0.202 395 Q C 0.399 176.405 176.000 0.010 0.000 0.970 395 Q CA 1.722 57.530 55.803 0.008 0.000 0.855 395 Q CB -0.502 28.240 28.738 0.007 0.000 0.911 395 Q HN 0.672 nan 8.270 nan 0.000 0.438 396 E N 0.658 120.864 120.200 0.010 0.000 2.319 396 E HA 0.306 4.656 4.350 -0.001 0.000 0.268 396 E C -2.433 174.173 176.600 0.010 0.000 1.050 396 E CA -2.405 54.002 56.400 0.012 0.000 0.878 396 E CB 1.285 30.992 29.700 0.012 0.000 1.066 396 E HN 0.283 nan 8.360 nan 0.000 0.406 397 P HA 0.095 nan 4.420 nan 0.000 0.275 397 P C -0.812 176.482 177.300 -0.011 0.000 1.227 397 P CA 0.165 63.268 63.100 0.005 0.000 0.781 397 P CB 0.496 32.201 31.700 0.007 0.000 0.906 398 L N 2.878 124.091 121.223 -0.018 0.000 2.296 398 L HA 0.397 4.737 4.340 -0.001 0.000 0.286 398 L C -0.007 176.820 176.870 -0.071 0.000 1.023 398 L CA -1.165 53.654 54.840 -0.035 0.000 0.812 398 L CB 1.774 43.820 42.059 -0.023 0.000 1.223 398 L HN 0.084 nan 8.230 nan 0.000 0.421 399 V N 4.270 124.101 119.914 -0.137 0.000 2.509 399 V HA 0.455 4.574 4.120 -0.001 0.000 0.284 399 V C 0.147 176.106 176.094 -0.226 0.000 1.047 399 V CA -0.432 61.725 62.300 -0.239 0.000 0.952 399 V CB 1.675 33.204 31.823 -0.490 0.000 0.988 399 V HN 0.745 nan 8.190 nan 0.000 0.469 400 R N 3.094 123.503 120.500 -0.152 0.000 2.744 400 R HA 0.812 5.151 4.340 -0.001 0.000 0.279 400 R C -2.165 174.098 176.300 -0.061 0.000 0.977 400 R CA -0.516 55.522 56.100 -0.103 0.000 0.906 400 R CB 2.356 32.642 30.300 -0.024 0.000 1.197 400 R HN 0.488 nan 8.270 nan 0.000 0.463 401 V N 4.945 124.829 119.914 -0.050 0.000 2.531 401 V HA 0.470 4.590 4.120 -0.001 0.000 0.301 401 V C -1.165 174.955 176.094 0.042 0.000 1.034 401 V CA -0.765 61.537 62.300 0.003 0.000 0.865 401 V CB 1.763 33.560 31.823 -0.044 0.000 0.995 401 V HN 0.571 nan 8.190 nan 0.000 0.424 402 L N 5.636 126.919 121.223 0.101 0.000 2.346 402 L HA 0.712 5.052 4.340 -0.001 0.000 0.274 402 L C -0.373 176.487 176.870 -0.016 0.000 1.007 402 L CA -0.554 54.324 54.840 0.065 0.000 0.818 402 L CB 2.027 44.170 42.059 0.140 0.000 1.284 402 L HN 0.333 nan 8.230 nan 0.000 0.424 403 V N 3.035 122.933 119.914 -0.028 0.000 2.349 403 V HA 0.348 4.467 4.120 -0.001 0.000 0.284 403 V C -0.125 175.922 176.094 -0.078 0.000 1.014 403 V CA -0.788 61.488 62.300 -0.039 0.000 0.826 403 V CB 0.993 32.854 31.823 0.063 0.000 1.009 403 V HN 0.868 nan 8.190 nan 0.000 0.431 404 N N 4.528 123.155 118.700 -0.122 0.000 2.716 404 N HA -0.209 4.530 4.740 -0.001 0.000 0.250 404 N C 0.146 175.632 175.510 -0.040 0.000 1.033 404 N CA 1.210 54.243 53.050 -0.029 0.000 0.727 404 N CB -0.529 37.933 38.487 -0.043 0.000 0.950 404 N HN 0.964 nan 8.380 nan 0.000 0.541 405 D N -2.659 117.713 120.400 -0.047 0.000 2.954 405 D HA -0.179 4.461 4.640 -0.001 0.000 0.200 405 D C 0.305 176.596 176.300 -0.014 0.000 1.022 405 D CA 0.992 55.004 54.000 0.021 0.000 1.003 405 D CB -0.893 39.951 40.800 0.072 0.000 1.073 405 D HN 0.653 nan 8.370 nan 0.000 0.438 406 R N 1.169 121.640 120.500 -0.048 0.000 2.255 406 R HA 0.476 4.815 4.340 -0.001 0.000 0.326 406 R C -0.239 176.066 176.300 0.009 0.000 0.986 406 R CA -0.498 55.583 56.100 -0.032 0.000 0.847 406 R CB 1.099 31.365 30.300 -0.056 0.000 1.111 406 R HN -0.160 nan 8.270 nan 0.000 0.452 407 V N 5.235 125.161 119.914 0.020 0.000 2.585 407 V HA 0.093 4.213 4.120 -0.001 0.000 0.296 407 V C 0.004 176.103 176.094 0.008 0.000 1.035 407 V CA -0.107 62.204 62.300 0.018 0.000 1.084 407 V CB 1.291 33.123 31.823 0.015 0.000 0.953 407 V HN 0.475 nan 8.190 nan 0.000 0.483 408 V N 7.355 127.259 119.914 -0.016 0.000 2.407 408 V HA 0.346 4.465 4.120 -0.001 0.000 0.291 408 V C -2.364 173.685 176.094 -0.075 0.000 1.018 408 V CA -1.862 60.410 62.300 -0.048 0.000 0.842 408 V CB 1.837 33.596 31.823 -0.106 0.000 0.996 408 V HN 0.764 nan 8.190 nan 0.000 0.426 409 P HA 0.208 nan 4.420 nan 0.000 0.271 409 P C -0.019 177.166 177.300 -0.192 0.000 1.226 409 P CA -0.092 62.928 63.100 -0.134 0.000 0.765 409 P CB 0.408 32.014 31.700 -0.156 0.000 0.835 410 L N 3.839 124.981 121.223 -0.136 0.000 2.499 410 L HA 0.030 4.370 4.340 -0.001 0.000 0.281 410 L C 0.801 177.582 176.870 -0.148 0.000 1.234 410 L CA 0.629 55.443 54.840 -0.043 0.000 0.839 410 L CB -0.315 41.759 42.059 0.024 0.000 1.104 410 L HN 0.529 nan 8.230 nan 0.000 0.500 411 H N -0.598 118.523 119.070 0.085 0.000 2.731 411 H HA 0.490 5.045 4.556 -0.001 0.000 0.368 411 H C 0.709 176.078 175.328 0.069 0.000 1.168 411 H CA 0.283 56.363 56.048 0.052 0.000 1.181 411 H CB 1.901 31.673 29.762 0.016 0.000 1.743 411 H HN 0.722 nan 8.280 nan 0.000 0.547 412 G N -0.056 108.845 108.800 0.169 0.000 2.157 412 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.248 412 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.248 412 G C 0.053 174.993 174.900 0.068 0.000 0.979 412 G CA 0.136 45.291 45.100 0.092 0.000 0.650 412 G HN 1.019 nan 8.290 nan 0.000 0.529 413 c N -3.213 115.437 118.600 0.082 0.000 3.288 413 c HA 0.786 5.355 4.570 -0.001 0.000 0.318 413 c C -2.752 171.366 174.090 0.046 0.000 1.356 413 c CA -1.930 54.443 56.329 0.073 0.000 1.359 413 c CB 1.239 43.825 42.510 0.126 0.000 1.688 413 c HN 0.135 nan 8.230 nan 0.000 0.467 414 P HA 0.246 nan 4.420 nan 0.000 0.264 414 P C 0.385 177.687 177.300 0.004 0.000 1.537 414 P CA 0.198 63.308 63.100 0.016 0.000 1.189 414 P CB -0.336 31.374 31.700 0.016 0.000 1.687 415 V N 0.910 120.814 119.914 -0.015 0.000 2.788 415 V HA 0.102 4.222 4.120 -0.001 0.000 0.307 415 V C 0.776 176.854 176.094 -0.027 0.000 1.069 415 V CA -0.553 61.726 62.300 -0.035 0.000 1.173 415 V CB -0.071 31.706 31.823 -0.077 0.000 0.925 415 V HN 0.388 nan 8.190 nan 0.000 0.492 416 D N 3.420 123.804 120.400 -0.026 0.000 2.506 416 D HA 0.554 5.194 4.640 -0.001 0.000 0.272 416 D C 0.916 177.202 176.300 -0.023 0.000 1.214 416 D CA -0.231 53.757 54.000 -0.020 0.000 1.067 416 D CB 1.169 41.960 40.800 -0.015 0.000 1.117 416 D HN 0.643 nan 8.370 nan 0.000 0.578 417 A N -0.728 122.083 122.820 -0.016 0.000 2.206 417 A HA 0.087 4.406 4.320 -0.001 0.000 0.211 417 A C 1.796 179.372 177.584 -0.014 0.000 1.158 417 A CA 0.368 52.397 52.037 -0.013 0.000 0.761 417 A CB -0.764 18.232 19.000 -0.007 0.000 0.801 417 A HN 0.521 nan 8.150 nan 0.000 0.473 418 L N -1.510 119.704 121.223 -0.016 0.000 2.628 418 L HA 0.265 4.604 4.340 -0.001 0.000 0.229 418 L C 1.558 178.414 176.870 -0.023 0.000 1.137 418 L CA 0.510 55.341 54.840 -0.015 0.000 0.909 418 L CB 0.038 42.091 42.059 -0.011 0.000 1.137 418 L HN 0.506 nan 8.230 nan 0.000 0.470 419 G N 0.784 109.562 108.800 -0.035 0.000 2.157 419 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.248 419 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.248 419 G C 0.274 175.132 174.900 -0.070 0.000 0.979 419 G CA -0.178 44.889 45.100 -0.054 0.000 0.650 419 G HN 0.397 nan 8.290 nan 0.000 0.529 420 R N -0.933 119.531 120.500 -0.059 0.000 2.598 420 R HA 0.744 5.084 4.340 -0.001 0.000 0.279 420 R C -0.247 176.017 176.300 -0.060 0.000 0.984 420 R CA -0.393 55.662 56.100 -0.074 0.000 0.999 420 R CB 1.556 31.823 30.300 -0.055 0.000 1.114 420 R HN 0.182 nan 8.270 nan 0.000 0.493 421 c N 0.669 119.224 118.600 -0.075 0.000 2.667 421 c HA 0.442 5.012 4.570 -0.001 0.000 0.323 421 c C 0.535 174.618 174.090 -0.011 0.000 1.214 421 c CA -0.652 55.670 56.329 -0.012 0.000 1.721 421 c CB 1.939 44.491 42.510 0.069 0.000 2.275 421 c HN 0.919 nan 8.230 nan 0.000 0.491 422 T N 0.570 115.135 114.554 0.019 0.000 2.932 422 T HA 0.077 4.427 4.350 -0.001 0.000 0.312 422 T C 1.297 176.028 174.700 0.051 0.000 1.071 422 T CA 0.027 62.139 62.100 0.020 0.000 1.128 422 T CB 0.496 69.378 68.868 0.023 0.000 0.984 422 T HN 0.765 nan 8.240 nan 0.000 0.549 423 R N 1.350 121.868 120.500 0.030 0.000 2.091 423 R HA -0.154 4.186 4.340 -0.001 0.000 0.238 423 R C 1.320 177.673 176.300 0.089 0.000 1.136 423 R CA 2.190 58.323 56.100 0.055 0.000 0.959 423 R CB -0.833 29.462 30.300 -0.008 0.000 0.856 423 R HN 0.789 nan 8.270 nan 0.000 0.437 424 D N -0.222 120.208 120.400 0.051 0.000 2.144 424 D HA -0.115 4.524 4.640 -0.001 0.000 0.199 424 D C 1.917 178.242 176.300 0.042 0.000 0.984 424 D CA 1.848 55.869 54.000 0.036 0.000 0.834 424 D CB -0.079 40.734 40.800 0.023 0.000 0.955 424 D HN 0.388 nan 8.370 nan 0.000 0.465 425 S N -0.465 115.273 115.700 0.064 0.000 2.425 425 S HA -0.100 4.370 4.470 -0.001 0.000 0.225 425 S C 2.016 176.673 174.600 0.095 0.000 1.024 425 S CA 0.015 58.252 58.200 0.061 0.000 0.951 425 S CB -0.625 62.609 63.200 0.058 0.000 0.796 425 S HN 0.170 nan 8.310 nan 0.000 0.498 426 F N 2.872 122.810 119.950 -0.019 0.000 2.095 426 F HA -0.060 4.467 4.527 -0.000 0.000 0.298 426 F C 2.214 178.005 175.800 -0.016 0.000 1.104 426 F CA 1.346 59.335 58.000 -0.019 0.000 1.232 426 F CB -0.718 38.262 39.000 -0.033 0.000 0.987 426 F HN 0.084 nan 8.300 nan 0.000 0.475 427 V N 1.259 121.124 119.914 -0.081 0.000 2.261 427 V HA -0.294 3.825 4.120 -0.001 0.000 0.246 427 V C 2.683 178.678 176.094 -0.165 0.000 1.047 427 V CA 2.221 64.415 62.300 -0.176 0.000 1.015 427 V CB -0.783 31.006 31.823 -0.057 0.000 0.642 427 V HN 0.336 nan 8.190 nan 0.000 0.446 428 R N 0.505 120.954 120.500 -0.084 0.000 2.133 428 R HA -0.195 4.144 4.340 -0.001 0.000 0.247 428 R C 2.160 178.414 176.300 -0.076 0.000 1.151 428 R CA 2.000 58.063 56.100 -0.060 0.000 0.971 428 R CB -0.789 29.496 30.300 -0.024 0.000 0.866 428 R HN 0.557 nan 8.270 nan 0.000 0.447 429 G N 0.633 109.366 108.800 -0.112 0.000 2.509 429 G HA2 -0.094 3.866 3.960 -0.001 0.000 0.218 429 G HA3 -0.094 3.866 3.960 -0.001 0.000 0.218 429 G C 1.102 175.928 174.900 -0.124 0.000 1.124 429 G CA 0.109 45.151 45.100 -0.098 0.000 0.776 429 G HN 0.280 nan 8.290 nan 0.000 0.547 430 L N 2.304 123.405 121.223 -0.203 0.000 2.968 430 L HA 0.130 4.469 4.340 -0.001 0.000 0.235 430 L C 2.143 178.983 176.870 -0.051 0.000 1.323 430 L CA -0.102 54.648 54.840 -0.150 0.000 1.159 430 L CB 0.185 42.078 42.059 -0.277 0.000 1.523 430 L HN 0.224 nan 8.230 nan 0.000 0.468 431 S N -0.227 115.464 115.700 -0.015 0.000 2.400 431 S HA -0.257 4.213 4.470 -0.001 0.000 0.232 431 S C 1.762 176.387 174.600 0.041 0.000 1.025 431 S CA 0.846 59.049 58.200 0.004 0.000 0.993 431 S CB -0.493 62.717 63.200 0.016 0.000 0.808 431 S HN 0.531 nan 8.310 nan 0.000 0.478 432 F N 3.333 123.261 119.950 -0.037 0.000 2.026 432 F HA -0.083 4.443 4.527 -0.001 0.000 0.296 432 F C 2.587 178.377 175.800 -0.016 0.000 1.133 432 F CA 1.395 59.384 58.000 -0.018 0.000 1.188 432 F CB -1.054 37.940 39.000 -0.010 0.000 0.968 432 F HN 0.253 nan 8.300 nan 0.000 0.476 433 A N 0.287 123.089 122.820 -0.029 0.000 1.972 433 A HA -0.163 4.156 4.320 -0.001 0.000 0.219 433 A C 2.322 179.814 177.584 -0.153 0.000 1.169 433 A CA 1.582 53.534 52.037 -0.142 0.000 0.635 433 A CB -0.749 18.247 19.000 -0.007 0.000 0.810 433 A HN 0.507 nan 8.150 nan 0.000 0.446 434 R N 0.122 120.562 120.500 -0.101 0.000 2.148 434 R HA -0.078 4.261 4.340 -0.001 0.000 0.227 434 R C 2.150 178.396 176.300 -0.091 0.000 1.103 434 R CA 1.436 57.487 56.100 -0.082 0.000 0.983 434 R CB -0.176 30.088 30.300 -0.061 0.000 0.874 434 R HN 0.703 nan 8.270 nan 0.000 0.451 435 S N -1.458 114.172 115.700 -0.117 0.000 2.558 435 S HA 0.137 4.606 4.470 -0.001 0.000 0.217 435 S C 1.290 175.815 174.600 -0.126 0.000 0.975 435 S CA 0.366 58.503 58.200 -0.104 0.000 0.912 435 S CB 0.941 64.092 63.200 -0.082 0.000 0.776 435 S HN 0.463 nan 8.310 nan 0.000 0.526 436 G N 0.626 109.316 108.800 -0.183 0.000 2.159 436 G HA2 0.147 4.107 3.960 -0.001 0.000 0.227 436 G HA3 0.147 4.107 3.960 -0.001 0.000 0.227 436 G C 1.004 175.758 174.900 -0.243 0.000 0.986 436 G CA 0.173 45.175 45.100 -0.164 0.000 0.651 436 G HN 1.518 nan 8.290 nan 0.000 0.523 437 G N 0.532 108.983 108.800 -0.581 0.000 2.652 437 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.318 437 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.318 437 G C 0.308 175.016 174.900 -0.321 0.000 1.295 437 G CA 0.872 45.336 45.100 -1.061 0.000 0.999 437 G HN 0.899 nan 8.290 nan 0.000 0.548 438 D N 0.193 120.543 120.400 -0.082 0.000 2.587 438 D HA 0.104 4.744 4.640 -0.001 0.000 0.233 438 D C 1.228 177.559 176.300 0.053 0.000 1.213 438 D CA -0.236 53.788 54.000 0.039 0.000 0.827 438 D CB -0.185 40.665 40.800 0.082 0.000 1.006 438 D HN 0.515 nan 8.370 nan 0.000 0.490 439 W N 1.807 123.056 121.300 -0.085 0.000 2.374 439 W HA -0.186 4.473 4.660 -0.001 0.000 0.288 439 W C 1.651 178.179 176.519 0.015 0.000 1.218 439 W CA 1.405 58.722 57.345 -0.047 0.000 1.245 439 W CB 0.151 29.598 29.460 -0.022 0.000 1.126 439 W HN 0.084 nan 8.180 nan 0.000 0.545 440 A N 0.651 123.565 122.820 0.157 0.000 2.076 440 A HA -0.227 4.093 4.320 -0.001 0.000 0.220 440 A C 1.656 179.261 177.584 0.034 0.000 1.160 440 A CA 1.685 53.810 52.037 0.146 0.000 0.653 440 A CB -0.746 18.328 19.000 0.123 0.000 0.801 440 A HN 0.487 nan 8.150 nan 0.000 0.455 441 E N -1.121 119.029 120.200 -0.083 0.000 2.502 441 E HA -0.015 4.335 4.350 -0.001 0.000 0.194 441 E C 1.120 177.537 176.600 -0.305 0.000 1.062 441 E CA 0.035 56.359 56.400 -0.128 0.000 0.867 441 E CB -0.299 29.351 29.700 -0.084 0.000 0.888 441 E HN 0.662 nan 8.360 nan 0.000 0.510 442 c N -0.046 118.175 118.600 -0.631 0.000 2.472 442 c HA -0.016 4.554 4.570 -0.001 0.000 0.278 442 c C 1.533 174.934 174.090 -1.149 0.000 1.447 442 c CA 0.474 56.123 56.329 -1.132 0.000 1.773 442 c CB -0.861 40.460 42.510 -1.982 0.000 1.793 442 c HN 0.412 nan 8.230 nan 0.000 0.544 443 F N 0.082 119.940 119.950 -0.154 0.000 2.581 443 F HA 0.425 4.951 4.527 -0.001 0.000 0.278 443 F C 1.496 177.261 175.800 -0.059 0.000 1.000 443 F CA 0.283 58.227 58.000 -0.092 0.000 1.230 443 F CB -1.084 37.873 39.000 -0.072 0.000 1.008 443 F HN -0.029 nan 8.300 nan 0.000 0.695 444 A N 0.000 122.877 122.820 0.095 0.000 2.254 444 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 444 A CA 0.000 52.061 52.037 0.040 0.000 0.836 444 A CB 0.000 19.025 19.000 0.042 0.000 0.831 444 A HN 0.000 nan 8.150 nan 0.000 0.486