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 3edj_1_A DATA FIRST_RESID 3 DATA SEQUENCE PTAIEHMEPP FWWAGMQHKG LQLMVHGRDI GRMEAALDYP GVRLVSPTRV DATA SEQUENCE PNANYLFVDL EIGPEAQPGS FDIVFKGDGR SERYRYRLLA REQGSAQRQG DATA SEQUENCE FGPGDAIYQI MPDRFANGDP SNDNVAGMRE QADRRHGGGR HGGDIRGTID DATA SEQUENCE HLDYIAGLGF TQLWPTPLVE NDAAAYSYHG YAATDHYRID PRYGSNEDFV DATA SEQUENCE RLSTEARKRG MGLIQDVVLS HIGKHHWWMK DLPTPDWINY GGKFVPTQHH DATA SEQUENCE RVAVQDPYAA QADSENFTKG WFVEGMPDLN QTNPLVANYL IQNNIWWIEY DATA SEQUENCE AGLSGLRIDT YGYSDGAFLT EYTRRLMAEY PRLNMVGQEW STRVPVVARW DATA SEQUENCE QRGKANFDGY TSHLPSLMDF PLVDAMRNAL SKTGEENGLN EVYETLSLDY DATA SEQUENCE LYPEPQNLVL FGGNHDMARM FSAAGEDFDR WRMNLVFLMT MPRIPQFYSG DATA SEQUENCE DEILMTSTVK GRDDASYRRD FPGGWAGDKA NAFSGAGLTS QQRAAQDLVR DATA SEQUENCE KLANWRKNQP VIHNGRLMHF GPEENTWVYF RYNKDKRIMV AMNNNDKPMT DATA SEQUENCE LPTARFQEML KGAPSGVDFL SGKTVGLGRE LRLAPKSVVV IELPGLP 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 3 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 177.219 177.300 -0.135 0.000 1.155 3 P CA 0.000 63.035 63.100 -0.109 0.000 0.800 3 P CB 0.000 31.614 31.700 -0.143 0.000 0.726 4 T N 0.023 114.485 114.554 -0.154 0.000 2.823 4 T HA 0.742 5.092 4.350 -0.000 0.000 0.279 4 T C 0.373 174.968 174.700 -0.175 0.000 0.998 4 T CA 0.183 62.199 62.100 -0.140 0.000 0.994 4 T CB 1.655 70.455 68.868 -0.113 0.000 0.960 4 T HN 0.908 nan 8.240 nan 0.000 0.448 5 A N 2.975 125.707 122.820 -0.146 0.000 5.578 5 A HA -0.220 4.100 4.320 -0.000 0.000 0.312 5 A C 0.102 177.561 177.584 -0.207 0.000 1.861 5 A CA 0.709 52.661 52.037 -0.141 0.000 0.719 5 A CB -1.824 17.113 19.000 -0.106 0.000 1.323 5 A HN 0.865 nan 8.150 nan 0.000 0.387 6 I N 0.614 121.071 120.570 -0.188 0.000 2.312 6 I HA 0.291 4.461 4.170 -0.000 0.000 0.290 6 I C 1.239 177.201 176.117 -0.260 0.000 1.008 6 I CA 0.356 61.508 61.300 -0.247 0.000 1.226 6 I CB 1.380 39.266 38.000 -0.189 0.000 1.371 6 I HN 0.818 nan 8.210 nan 0.000 0.468 7 E N 5.019 124.997 120.200 -0.371 0.000 2.140 7 E HA 0.059 4.409 4.350 -0.000 0.000 0.191 7 E C -0.044 176.152 176.600 -0.674 0.000 0.973 7 E CA 0.644 56.753 56.400 -0.484 0.000 0.829 7 E CB 0.509 29.899 29.700 -0.517 0.000 0.781 7 E HN 0.532 nan 8.360 nan 0.000 0.466 8 H N -0.600 118.344 119.070 -0.211 0.000 2.806 8 H HA 0.370 4.926 4.556 -0.000 0.000 0.367 8 H C -1.235 173.995 175.328 -0.164 0.000 1.136 8 H CA -0.830 55.109 56.048 -0.182 0.000 1.178 8 H CB 1.739 31.381 29.762 -0.199 0.000 1.718 8 H HN 0.043 nan 8.280 nan 0.000 0.540 9 M N 2.567 122.096 119.600 -0.119 0.000 2.151 9 M HA 0.294 4.774 4.480 -0.000 0.000 0.290 9 M C -1.594 174.528 176.300 -0.296 0.000 0.965 9 M CA -0.054 55.073 55.300 -0.289 0.000 0.930 9 M CB 1.316 33.470 32.600 -0.744 0.000 1.560 9 M HN 0.541 nan 8.290 nan 0.000 0.438 10 E N 6.453 126.516 120.200 -0.229 0.000 2.263 10 E HA 0.493 4.843 4.350 -0.000 0.000 0.268 10 E C -2.740 173.710 176.600 -0.251 0.000 0.884 10 E CA -1.971 54.163 56.400 -0.443 0.000 0.766 10 E CB 2.105 31.666 29.700 -0.232 0.000 1.196 10 E HN 0.430 nan 8.360 nan 0.000 0.416 11 P HA 0.075 nan 4.420 nan 0.000 0.272 11 P C -2.152 174.885 177.300 -0.437 0.000 1.223 11 P CA -1.331 61.368 63.100 -0.669 0.000 0.784 11 P CB 0.711 32.341 31.700 -0.117 0.000 0.923 12 P HA 0.025 nan 4.420 nan 0.000 0.231 12 P C -0.112 177.065 177.300 -0.205 0.000 1.168 12 P CA 1.070 63.990 63.100 -0.301 0.000 0.779 12 P CB -0.090 31.456 31.700 -0.258 0.000 0.844 13 F N -4.899 114.937 119.950 -0.190 0.000 2.807 13 F HA 0.651 5.178 4.527 -0.000 0.000 0.316 13 F C -1.092 174.775 175.800 0.111 0.000 1.162 13 F CA -1.602 56.122 58.000 -0.461 0.000 0.910 13 F CB 0.448 39.173 39.000 -0.458 0.000 1.314 13 F HN -0.167 nan 8.300 nan 0.000 0.454 14 W N 0.376 121.674 121.300 -0.003 0.000 3.483 14 W HA 0.557 5.217 4.660 -0.000 0.000 0.378 14 W C -1.846 174.511 176.519 -0.270 0.000 1.097 14 W CA -0.854 56.506 57.345 0.025 0.000 1.075 14 W CB 1.883 31.602 29.460 0.432 0.000 1.534 14 W HN 0.573 nan 8.180 nan 0.000 0.610 15 W N 1.408 122.757 121.300 0.081 0.000 2.936 15 W HA 0.538 5.197 4.660 -0.000 0.000 0.338 15 W C -0.237 176.386 176.519 0.174 0.000 1.121 15 W CA -0.873 56.494 57.345 0.037 0.000 1.209 15 W CB 1.457 30.812 29.460 -0.175 0.000 1.420 15 W HN 0.363 nan 8.180 nan 0.000 0.516 16 A N 0.737 123.778 122.820 0.369 0.000 2.407 16 A HA 0.563 4.883 4.320 -0.000 0.000 0.248 16 A C 0.967 178.702 177.584 0.251 0.000 1.082 16 A CA 0.906 53.129 52.037 0.310 0.000 0.785 16 A CB -0.052 19.103 19.000 0.258 0.000 1.020 16 A HN 1.543 nan 8.150 nan 0.000 0.489 17 G N 0.505 109.427 108.800 0.203 0.000 2.147 17 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.244 17 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.244 17 G C 0.157 175.116 174.900 0.098 0.000 1.005 17 G CA 0.339 45.518 45.100 0.133 0.000 0.713 17 G HN 0.557 nan 8.290 nan 0.000 0.515 18 M N -0.561 119.126 119.600 0.145 0.000 2.202 18 M HA 0.308 4.788 4.480 -0.000 0.000 0.316 18 M C 1.530 177.881 176.300 0.085 0.000 1.138 18 M CA -0.276 55.081 55.300 0.095 0.000 1.151 18 M CB 0.745 33.474 32.600 0.215 0.000 1.422 18 M HN 0.219 nan 8.290 nan 0.000 0.471 19 Q N 1.050 120.866 119.800 0.026 0.000 2.016 19 Q HA -0.111 4.229 4.340 -0.000 0.000 0.200 19 Q C 0.158 176.219 176.000 0.102 0.000 0.978 19 Q CA 1.748 57.568 55.803 0.029 0.000 0.833 19 Q CB -0.163 28.551 28.738 -0.040 0.000 0.895 19 Q HN 0.637 nan 8.270 nan 0.000 0.427 20 H N 0.360 119.468 119.070 0.064 0.000 2.668 20 H HA 0.164 4.720 4.556 0.000 0.000 0.303 20 H C 0.362 175.781 175.328 0.151 0.000 1.074 20 H CA -0.292 55.809 56.048 0.089 0.000 1.406 20 H CB 0.789 30.608 29.762 0.094 0.000 1.442 20 H HN -0.024 nan 8.280 nan 0.000 0.482 21 K N 3.287 123.577 120.400 -0.183 0.000 2.228 21 K HA 0.084 4.404 4.320 -0.000 0.000 0.202 21 K C 1.004 177.595 176.600 -0.015 0.000 1.051 21 K CA 0.664 56.930 56.287 -0.036 0.000 0.960 21 K CB -0.145 32.316 32.500 -0.066 0.000 0.743 21 K HN 0.736 nan 8.250 nan 0.000 0.458 22 G N 1.853 110.538 108.800 -0.191 0.000 2.441 22 G HA2 0.312 4.272 3.960 -0.000 0.000 0.243 22 G HA3 0.312 4.272 3.960 -0.000 0.000 0.243 22 G C -0.877 174.089 174.900 0.111 0.000 1.281 22 G CA -0.235 44.868 45.100 0.005 0.000 0.854 22 G HN 0.146 nan 8.290 nan 0.000 0.560 23 L N 0.859 122.067 121.223 -0.024 0.000 2.476 23 L HA 0.489 4.829 4.340 -0.000 0.000 0.269 23 L C -0.514 176.277 176.870 -0.132 0.000 0.965 23 L CA -0.654 54.059 54.840 -0.212 0.000 0.845 23 L CB 2.302 44.130 42.059 -0.385 0.000 1.259 23 L HN 0.586 nan 8.230 nan 0.000 0.403 24 Q N 4.884 124.620 119.800 -0.107 0.000 2.372 24 Q HA 0.583 4.923 4.340 -0.000 0.000 0.259 24 Q C -1.593 174.418 176.000 0.020 0.000 0.993 24 Q CA -0.560 55.254 55.803 0.018 0.000 0.854 24 Q CB 1.110 29.915 28.738 0.111 0.000 1.231 24 Q HN 0.771 nan 8.270 nan 0.000 0.462 25 L N 4.146 125.373 121.223 0.007 0.000 2.305 25 L HA 0.431 4.771 4.340 -0.000 0.000 0.281 25 L C 0.030 176.932 176.870 0.053 0.000 1.085 25 L CA -0.288 54.542 54.840 -0.016 0.000 0.813 25 L CB 1.052 43.048 42.059 -0.105 0.000 1.157 25 L HN 0.613 nan 8.230 nan 0.000 0.436 26 M N 4.577 124.206 119.600 0.049 0.000 2.088 26 M HA 0.451 4.931 4.480 -0.000 0.000 0.346 26 M C -1.308 174.927 176.300 -0.108 0.000 1.111 26 M CA -0.507 54.720 55.300 -0.122 0.000 1.017 26 M CB 1.065 33.767 32.600 0.170 0.000 1.568 26 M HN 0.329 nan 8.290 nan 0.000 0.445 27 V N 4.930 124.709 119.914 -0.225 0.000 2.513 27 V HA 0.468 4.588 4.120 -0.000 0.000 0.299 27 V C -0.459 175.561 176.094 -0.123 0.000 1.035 27 V CA -0.700 61.487 62.300 -0.189 0.000 0.889 27 V CB 1.528 33.163 31.823 -0.314 0.000 0.988 27 V HN 0.793 nan 8.190 nan 0.000 0.440 28 H N 2.758 121.705 119.070 -0.205 0.000 2.689 28 H HA 0.765 5.321 4.556 -0.000 0.000 0.346 28 H C -0.452 174.686 175.328 -0.317 0.000 1.037 28 H CA 0.065 55.937 56.048 -0.293 0.000 1.234 28 H CB 2.153 31.870 29.762 -0.075 0.000 1.572 28 H HN 0.920 nan 8.280 nan 0.000 0.524 29 G N 3.855 112.183 108.800 -0.787 0.000 2.489 29 G HA2 0.131 4.091 3.960 -0.000 0.000 0.291 29 G HA3 0.131 4.091 3.960 -0.000 0.000 0.291 29 G C -1.430 173.177 174.900 -0.489 0.000 1.487 29 G CA -1.154 43.542 45.100 -0.674 0.000 0.795 29 G HN 0.696 nan 8.290 nan 0.000 0.513 30 R N 0.978 121.263 120.500 -0.358 0.000 2.480 30 R HA 0.190 4.530 4.340 -0.000 0.000 0.303 30 R C -0.100 176.096 176.300 -0.173 0.000 0.985 30 R CA 0.921 56.886 56.100 -0.224 0.000 1.051 30 R CB -0.090 30.116 30.300 -0.157 0.000 0.935 30 R HN 0.603 nan 8.270 nan 0.000 0.410 31 D N 3.207 123.528 120.400 -0.132 0.000 2.983 31 D HA -0.258 4.382 4.640 -0.000 0.000 0.225 31 D C 0.969 177.209 176.300 -0.100 0.000 1.174 31 D CA 0.827 54.775 54.000 -0.087 0.000 0.831 31 D CB -0.407 40.359 40.800 -0.057 0.000 1.104 31 D HN 0.560 nan 8.370 nan 0.000 0.421 32 I N 0.542 121.012 120.570 -0.167 0.000 2.361 32 I HA -0.129 4.041 4.170 -0.000 0.000 0.251 32 I C 2.473 178.525 176.117 -0.107 0.000 1.133 32 I CA 2.026 63.205 61.300 -0.202 0.000 1.413 32 I CB -0.855 36.937 38.000 -0.346 0.000 1.073 32 I HN 0.167 nan 8.210 nan 0.000 0.424 33 G N 0.477 109.242 108.800 -0.059 0.000 2.470 33 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.220 33 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.220 33 G C 1.670 176.589 174.900 0.032 0.000 1.121 33 G CA 0.023 45.132 45.100 0.015 0.000 0.766 33 G HN 0.370 nan 8.290 nan 0.000 0.553 34 R N -0.501 120.007 120.500 0.013 0.000 2.323 34 R HA 0.214 4.554 4.340 -0.000 0.000 0.198 34 R C 0.646 176.970 176.300 0.041 0.000 0.988 34 R CA 0.188 56.303 56.100 0.025 0.000 1.041 34 R CB -0.085 30.221 30.300 0.011 0.000 0.926 34 R HN 0.396 nan 8.270 nan 0.000 0.476 35 M N -0.194 119.440 119.600 0.057 0.000 2.706 35 M HA 0.291 4.771 4.480 -0.000 0.000 0.304 35 M C -0.259 176.124 176.300 0.137 0.000 1.217 35 M CA -0.553 54.807 55.300 0.101 0.000 0.922 35 M CB 1.836 34.518 32.600 0.136 0.000 1.637 35 M HN -0.178 nan 8.290 nan 0.000 0.492 36 E N 0.890 121.172 120.200 0.137 0.000 2.176 36 E HA 0.600 4.950 4.350 -0.000 0.000 0.267 36 E C -1.423 175.227 176.600 0.083 0.000 0.893 36 E CA -0.524 55.939 56.400 0.105 0.000 0.761 36 E CB 1.905 31.639 29.700 0.058 0.000 1.133 36 E HN 0.769 nan 8.360 nan 0.000 0.409 37 A N 2.830 125.678 122.820 0.045 0.000 2.322 37 A HA 0.767 5.087 4.320 -0.000 0.000 0.269 37 A C -0.642 176.849 177.584 -0.154 0.000 1.094 37 A CA 0.098 52.022 52.037 -0.189 0.000 0.807 37 A CB 1.038 19.933 19.000 -0.175 0.000 1.047 37 A HN 0.629 nan 8.150 nan 0.000 0.487 38 A N 0.673 123.357 122.820 -0.227 0.000 2.574 38 A HA 0.716 5.036 4.320 -0.000 0.000 0.297 38 A C -1.043 176.482 177.584 -0.097 0.000 1.062 38 A CA -0.286 51.681 52.037 -0.116 0.000 0.686 38 A CB 1.003 19.959 19.000 -0.073 0.000 1.285 38 A HN 2.218 nan 8.150 nan 0.000 0.403 39 L N -1.309 119.893 121.223 -0.035 0.000 2.671 39 L HA 0.982 5.322 4.340 -0.000 0.000 0.259 39 L C -1.228 175.645 176.870 0.005 0.000 1.021 39 L CA -0.521 54.334 54.840 0.026 0.000 0.871 39 L CB 2.115 44.224 42.059 0.084 0.000 1.472 39 L HN 0.523 nan 8.230 nan 0.000 0.410 40 D N 0.184 120.605 120.400 0.035 0.000 2.336 40 D HA 0.516 5.156 4.640 -0.000 0.000 0.248 40 D C -2.138 174.192 176.300 0.050 0.000 1.326 40 D CA 0.132 54.140 54.000 0.014 0.000 0.973 40 D CB 0.899 41.716 40.800 0.028 0.000 1.255 40 D HN 0.682 nan 8.370 nan 0.000 0.558 41 Y N 3.034 123.192 120.300 -0.237 0.000 2.399 41 Y HA 0.442 4.992 4.550 0.000 0.000 0.327 41 Y C -2.633 173.141 175.900 -0.210 0.000 1.111 41 Y CA -2.037 55.899 58.100 -0.274 0.000 1.047 41 Y CB 1.934 39.986 38.460 -0.679 0.000 1.259 41 Y HN 0.196 nan 8.280 nan 0.000 0.434 42 P HA 0.231 nan 4.420 nan 0.000 0.264 42 P C 0.597 177.750 177.300 -0.246 0.000 1.193 42 P CA 2.092 64.994 63.100 -0.330 0.000 0.763 42 P CB 0.681 32.172 31.700 -0.347 0.000 0.810 43 G N 1.393 110.126 108.800 -0.111 0.000 2.225 43 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.254 43 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.254 43 G C -0.000 174.903 174.900 0.006 0.000 0.988 43 G CA -0.066 45.014 45.100 -0.033 0.000 0.625 43 G HN 0.547 nan 8.290 nan 0.000 0.527 44 V N 1.512 121.416 119.914 -0.016 0.000 2.394 44 V HA 0.661 4.781 4.120 -0.000 0.000 0.282 44 V C 0.553 176.606 176.094 -0.067 0.000 1.031 44 V CA -0.562 61.714 62.300 -0.041 0.000 0.881 44 V CB 1.547 33.268 31.823 -0.170 0.000 0.982 44 V HN 0.490 nan 8.190 nan 0.000 0.451 45 R N 4.815 125.291 120.500 -0.039 0.000 2.445 45 R HA 0.495 4.835 4.340 -0.000 0.000 0.308 45 R C -1.179 175.103 176.300 -0.029 0.000 0.961 45 R CA -0.772 55.307 56.100 -0.035 0.000 0.862 45 R CB 1.271 31.558 30.300 -0.022 0.000 1.144 45 R HN 0.582 nan 8.270 nan 0.000 0.447 46 L N 7.109 128.315 121.223 -0.029 0.000 2.283 46 L HA 0.147 4.487 4.340 -0.000 0.000 0.287 46 L C 0.725 177.592 176.870 -0.005 0.000 1.073 46 L CA 0.370 55.199 54.840 -0.017 0.000 0.822 46 L CB 1.407 43.453 42.059 -0.022 0.000 1.186 46 L HN 0.721 nan 8.230 nan 0.000 0.436 47 V N 4.138 124.055 119.914 0.004 0.000 2.261 47 V HA -0.103 4.017 4.120 -0.000 0.000 0.246 47 V C 0.872 176.975 176.094 0.014 0.000 1.047 47 V CA 1.520 63.826 62.300 0.010 0.000 1.015 47 V CB -0.430 31.403 31.823 0.016 0.000 0.642 47 V HN 1.075 nan 8.190 nan 0.000 0.446 48 S N -1.846 113.869 115.700 0.024 0.000 3.084 48 S HA 0.022 4.492 4.470 -0.000 0.000 0.231 48 S C -3.113 171.513 174.600 0.042 0.000 0.560 48 S CA -1.233 56.983 58.200 0.028 0.000 1.049 48 S CB -1.196 62.016 63.200 0.020 0.000 0.955 48 S HN 0.205 nan 8.310 nan 0.000 0.619 49 P HA 0.348 nan 4.420 nan 0.000 0.266 49 P C -0.455 176.885 177.300 0.067 0.000 1.195 49 P CA 0.112 63.257 63.100 0.075 0.000 0.768 49 P CB 0.411 32.158 31.700 0.079 0.000 0.838 50 T N 2.727 117.330 114.554 0.082 0.000 2.842 50 T HA 0.383 4.733 4.350 -0.000 0.000 0.308 50 T C 0.101 174.858 174.700 0.095 0.000 1.041 50 T CA -0.883 61.256 62.100 0.066 0.000 0.964 50 T CB 0.441 69.332 68.868 0.038 0.000 0.972 50 T HN 0.352 nan 8.240 nan 0.000 0.460 51 R N 1.603 122.155 120.500 0.086 0.000 2.641 51 R HA 0.622 4.962 4.340 -0.000 0.000 0.269 51 R C -0.092 176.270 176.300 0.104 0.000 1.074 51 R CA -0.770 55.394 56.100 0.107 0.000 1.133 51 R CB 0.059 30.408 30.300 0.081 0.000 1.029 51 R HN 0.386 nan 8.270 nan 0.000 0.488 52 V N -1.460 118.540 119.914 0.143 0.000 2.715 52 V HA 0.480 4.600 4.120 -0.000 0.000 0.310 52 V C -2.020 174.134 176.094 0.101 0.000 1.054 52 V CA -2.323 60.049 62.300 0.120 0.000 0.928 52 V CB 1.782 33.714 31.823 0.183 0.000 1.007 52 V HN 0.697 nan 8.190 nan 0.000 0.437 53 P HA -0.089 nan 4.420 nan 0.000 0.219 53 P C 0.442 177.788 177.300 0.077 0.000 1.146 53 P CA 0.996 64.133 63.100 0.062 0.000 0.808 53 P CB -0.054 31.673 31.700 0.044 0.000 0.779 54 N N 0.374 119.135 118.700 0.102 0.000 2.416 54 N HA 0.094 4.834 4.740 -0.000 0.000 0.265 54 N C 0.980 176.580 175.510 0.150 0.000 1.195 54 N CA 0.169 53.304 53.050 0.142 0.000 0.943 54 N CB 0.602 39.214 38.487 0.208 0.000 1.115 54 N HN -0.097 nan 8.380 nan 0.000 0.481 55 A N 4.025 126.900 122.820 0.091 0.000 2.216 55 A HA -0.089 4.231 4.320 -0.000 0.000 0.214 55 A C 1.232 178.817 177.584 0.000 0.000 1.160 55 A CA 0.795 52.860 52.037 0.046 0.000 0.725 55 A CB -0.087 18.927 19.000 0.024 0.000 0.784 55 A HN 0.682 nan 8.150 nan 0.000 0.472 56 N N -1.350 117.354 118.700 0.007 0.000 2.280 56 N HA 0.163 4.903 4.740 -0.000 0.000 0.192 56 N C -1.072 174.193 175.510 -0.408 0.000 1.109 56 N CA 0.388 53.324 53.050 -0.190 0.000 0.855 56 N CB 0.121 38.493 38.487 -0.191 0.000 0.974 56 N HN 0.553 nan 8.380 nan 0.000 0.482 57 Y N -0.218 120.067 120.300 -0.025 0.000 2.477 57 Y HA 0.541 5.091 4.550 -0.000 0.000 0.347 57 Y C -0.641 175.170 175.900 -0.149 0.000 0.981 57 Y CA -1.119 56.909 58.100 -0.120 0.000 1.033 57 Y CB 2.072 40.428 38.460 -0.174 0.000 1.245 57 Y HN -0.228 nan 8.280 nan 0.000 0.455 58 L N 3.340 124.490 121.223 -0.123 0.000 2.438 58 L HA 0.633 4.973 4.340 -0.000 0.000 0.270 58 L C -1.995 174.744 176.870 -0.218 0.000 0.972 58 L CA -0.747 54.053 54.840 -0.067 0.000 0.831 58 L CB 0.886 42.921 42.059 -0.040 0.000 1.273 58 L HN 0.435 nan 8.230 nan 0.000 0.405 59 F N 4.860 124.871 119.950 0.102 0.000 2.405 59 F HA 0.553 5.080 4.527 -0.000 0.000 0.355 59 F C 0.074 175.925 175.800 0.086 0.000 1.121 59 F CA -0.640 57.417 58.000 0.095 0.000 1.112 59 F CB 1.584 40.636 39.000 0.087 0.000 1.126 59 F HN 0.091 nan 8.300 nan 0.000 0.481 60 V N 3.629 123.660 119.914 0.196 0.000 2.347 60 V HA 0.254 4.374 4.120 -0.000 0.000 0.280 60 V C -0.503 175.645 176.094 0.091 0.000 1.021 60 V CA -0.900 61.481 62.300 0.135 0.000 0.847 60 V CB 1.256 33.147 31.823 0.113 0.000 0.990 60 V HN 0.547 nan 8.190 nan 0.000 0.444 61 D N 5.468 125.915 120.400 0.078 0.000 2.317 61 D HA 0.522 5.162 4.640 -0.000 0.000 0.234 61 D C -0.586 175.723 176.300 0.014 0.000 1.112 61 D CA -0.216 53.813 54.000 0.048 0.000 0.840 61 D CB 2.168 43.001 40.800 0.056 0.000 1.078 61 D HN 0.170 nan 8.370 nan 0.000 0.486 62 L N 2.212 123.430 121.223 -0.009 0.000 2.342 62 L HA 0.322 4.662 4.340 -0.000 0.000 0.271 62 L C 0.368 177.235 176.870 -0.006 0.000 1.008 62 L CA -0.673 54.157 54.840 -0.017 0.000 0.818 62 L CB 1.622 43.659 42.059 -0.036 0.000 1.296 62 L HN 0.097 nan 8.230 nan 0.000 0.427 63 E N 3.334 123.532 120.200 -0.002 0.000 2.155 63 E HA 0.431 4.781 4.350 -0.000 0.000 0.264 63 E C -0.896 175.721 176.600 0.028 0.000 0.886 63 E CA -0.188 56.212 56.400 0.002 0.000 0.752 63 E CB 2.201 31.893 29.700 -0.014 0.000 1.133 63 E HN 0.422 nan 8.360 nan 0.000 0.414 64 I N 2.473 123.085 120.570 0.070 0.000 2.307 64 I HA 0.212 4.382 4.170 -0.000 0.000 0.287 64 I C 1.054 177.234 176.117 0.104 0.000 1.054 64 I CA -0.511 60.864 61.300 0.126 0.000 1.218 64 I CB 1.063 39.206 38.000 0.238 0.000 1.398 64 I HN 0.376 nan 8.210 nan 0.000 0.475 65 G N 6.956 115.798 108.800 0.070 0.000 2.636 65 G HA2 0.160 4.120 3.960 -0.000 0.000 0.246 65 G HA3 0.160 4.120 3.960 -0.000 0.000 0.246 65 G C -1.316 173.625 174.900 0.069 0.000 1.216 65 G CA -0.842 44.288 45.100 0.049 0.000 0.854 65 G HN 0.441 nan 8.290 nan 0.000 0.572 66 P HA -0.092 nan 4.420 nan 0.000 0.225 66 P C 1.260 178.592 177.300 0.054 0.000 1.148 66 P CA 1.033 64.166 63.100 0.056 0.000 0.779 66 P CB 0.281 32.002 31.700 0.035 0.000 0.780 67 E N 0.299 120.523 120.200 0.039 0.000 2.435 67 E HA 0.031 4.381 4.350 -0.000 0.000 0.195 67 E C 0.639 177.258 176.600 0.032 0.000 1.029 67 E CA -0.026 56.389 56.400 0.024 0.000 0.865 67 E CB -0.640 29.060 29.700 -0.000 0.000 0.833 67 E HN 0.032 nan 8.360 nan 0.000 0.510 68 A N 2.190 125.053 122.820 0.073 0.000 2.520 68 A HA 0.111 4.431 4.320 -0.000 0.000 0.245 68 A C 0.173 177.863 177.584 0.177 0.000 1.072 68 A CA -0.172 51.945 52.037 0.133 0.000 0.761 68 A CB 0.283 19.417 19.000 0.223 0.000 1.004 68 A HN 0.123 nan 8.150 nan 0.000 0.499 69 Q N 1.499 121.413 119.800 0.190 0.000 2.215 69 Q HA 0.446 4.786 4.340 -0.000 0.000 0.256 69 Q C -2.453 173.740 176.000 0.322 0.000 0.972 69 Q CA -2.112 53.808 55.803 0.196 0.000 0.889 69 Q CB 0.385 29.187 28.738 0.108 0.000 1.281 69 Q HN 0.469 nan 8.270 nan 0.000 0.456 70 P HA 0.272 nan 4.420 nan 0.000 0.267 70 P C -0.193 177.265 177.300 0.263 0.000 1.200 70 P CA 0.415 63.647 63.100 0.221 0.000 0.772 70 P CB 0.502 32.289 31.700 0.145 0.000 0.855 71 G N 0.276 109.199 108.800 0.204 0.000 2.368 71 G HA2 0.452 4.412 3.960 -0.000 0.000 0.269 71 G HA3 0.452 4.412 3.960 -0.000 0.000 0.269 71 G C -1.438 173.482 174.900 0.032 0.000 1.291 71 G CA -0.038 45.176 45.100 0.190 0.000 0.903 71 G HN 0.722 nan 8.290 nan 0.000 0.483 72 S N -1.204 114.510 115.700 0.024 0.000 2.618 72 S HA 0.936 5.406 4.470 -0.000 0.000 0.277 72 S C -1.017 173.589 174.600 0.010 0.000 1.138 72 S CA -0.339 57.788 58.200 -0.122 0.000 0.844 72 S CB 2.168 65.279 63.200 -0.148 0.000 1.127 72 S HN 2.149 nan 8.310 nan 0.000 0.474 73 F N -1.468 118.397 119.950 -0.141 0.000 2.665 73 F HA 0.685 5.212 4.527 0.000 0.000 0.308 73 F C -1.568 174.248 175.800 0.025 0.000 1.112 73 F CA -1.036 56.937 58.000 -0.045 0.000 0.972 73 F CB 0.529 39.475 39.000 -0.089 0.000 1.295 73 F HN 0.377 nan 8.300 nan 0.000 0.440 74 D N 2.834 123.343 120.400 0.182 0.000 2.308 74 D HA 0.406 5.046 4.640 -0.000 0.000 0.251 74 D C -0.084 176.315 176.300 0.165 0.000 1.127 74 D CA 0.259 54.324 54.000 0.109 0.000 0.876 74 D CB 1.575 42.422 40.800 0.078 0.000 1.176 74 D HN 0.539 nan 8.370 nan 0.000 0.446 75 I N 2.182 122.812 120.570 0.099 0.000 2.315 75 I HA 0.187 4.357 4.170 -0.000 0.000 0.291 75 I C -0.178 175.765 176.117 -0.289 0.000 1.006 75 I CA -0.807 60.445 61.300 -0.081 0.000 1.265 75 I CB 1.290 39.228 38.000 -0.104 0.000 1.387 75 I HN -0.110 nan 8.210 nan 0.000 0.475 76 V N 7.177 126.872 119.914 -0.365 0.000 2.435 76 V HA 0.408 4.528 4.120 -0.000 0.000 0.290 76 V C -0.466 175.365 176.094 -0.437 0.000 1.030 76 V CA -0.487 61.658 62.300 -0.258 0.000 0.881 76 V CB 1.360 33.138 31.823 -0.075 0.000 0.983 76 V HN 0.367 nan 8.190 nan 0.000 0.445 77 F N 3.645 123.615 119.950 0.034 0.000 2.444 77 F HA 0.634 5.161 4.527 0.000 0.000 0.342 77 F C 0.359 176.166 175.800 0.012 0.000 1.121 77 F CA -0.627 57.384 58.000 0.019 0.000 0.997 77 F CB 1.558 40.561 39.000 0.005 0.000 1.130 77 F HN 0.245 nan 8.300 nan 0.000 0.454 78 K N 2.055 122.547 120.400 0.153 0.000 2.378 78 K HA 0.864 5.184 4.320 -0.000 0.000 0.252 78 K C -0.488 176.158 176.600 0.077 0.000 0.931 78 K CA -1.095 55.247 56.287 0.091 0.000 0.794 78 K CB 2.663 35.194 32.500 0.051 0.000 1.181 78 K HN 0.885 nan 8.250 nan 0.000 0.425 79 G N 1.033 109.867 108.800 0.056 0.000 2.377 79 G HA2 0.177 4.137 3.960 -0.000 0.000 0.297 79 G HA3 0.177 4.137 3.960 -0.000 0.000 0.297 79 G C -1.387 173.529 174.900 0.027 0.000 1.547 79 G CA -0.857 44.267 45.100 0.041 0.000 0.833 79 G HN 0.598 nan 8.290 nan 0.000 0.583 80 D N -0.758 119.654 120.400 0.020 0.000 2.751 80 D HA -0.171 4.469 4.640 -0.000 0.000 0.233 80 D C 1.721 178.028 176.300 0.012 0.000 1.149 80 D CA 2.793 56.801 54.000 0.013 0.000 0.682 80 D CB -1.286 39.519 40.800 0.007 0.000 1.068 80 D HN 2.305 nan 8.370 nan 0.000 0.429 81 G N -0.160 108.649 108.800 0.014 0.000 2.228 81 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.270 81 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.270 81 G C 0.446 175.355 174.900 0.014 0.000 0.976 81 G CA 1.187 46.295 45.100 0.013 0.000 0.636 81 G HN 0.854 nan 8.290 nan 0.000 0.542 82 R N -0.616 119.894 120.500 0.016 0.000 2.797 82 R HA 0.809 5.149 4.340 -0.000 0.000 0.251 82 R C -0.189 176.132 176.300 0.034 0.000 1.107 82 R CA 0.010 56.121 56.100 0.018 0.000 1.084 82 R CB 1.735 32.040 30.300 0.009 0.000 1.205 82 R HN 0.824 nan 8.270 nan 0.000 0.515 83 S N 0.008 115.732 115.700 0.041 0.000 2.536 83 S HA 0.432 4.902 4.470 -0.000 0.000 0.271 83 S C -1.169 173.481 174.600 0.083 0.000 1.134 83 S CA -1.034 57.208 58.200 0.069 0.000 0.897 83 S CB 2.242 65.477 63.200 0.058 0.000 1.094 83 S HN 0.653 nan 8.310 nan 0.000 0.473 84 E N 1.419 121.710 120.200 0.151 0.000 2.263 84 E HA 0.628 4.978 4.350 -0.000 0.000 0.264 84 E C -0.351 176.424 176.600 0.293 0.000 0.923 84 E CA -0.777 55.727 56.400 0.174 0.000 0.802 84 E CB 2.310 32.080 29.700 0.116 0.000 1.228 84 E HN 0.862 nan 8.360 nan 0.000 0.417 85 R N 0.137 120.783 120.500 0.243 0.000 2.771 85 R HA 0.622 4.962 4.340 -0.000 0.000 0.274 85 R C -1.690 174.789 176.300 0.300 0.000 0.987 85 R CA -0.869 55.381 56.100 0.250 0.000 0.908 85 R CB 1.418 31.785 30.300 0.112 0.000 1.213 85 R HN 0.549 nan 8.270 nan 0.000 0.468 86 Y N 1.017 121.418 120.300 0.168 0.000 2.396 86 Y HA 0.434 4.984 4.550 -0.000 0.000 0.332 86 Y C -0.993 174.928 175.900 0.036 0.000 1.034 86 Y CA -1.104 57.066 58.100 0.117 0.000 1.057 86 Y CB 1.891 40.482 38.460 0.218 0.000 1.220 86 Y HN 0.569 nan 8.280 nan 0.000 0.440 87 R N 5.399 125.657 120.500 -0.404 0.000 2.248 87 R HA 0.112 4.452 4.340 -0.000 0.000 0.337 87 R C -1.690 174.382 176.300 -0.380 0.000 1.085 87 R CA -0.147 55.760 56.100 -0.321 0.000 0.934 87 R CB -0.281 29.824 30.300 -0.324 0.000 1.034 87 R HN 0.781 nan 8.270 nan 0.000 0.465 88 Y N 2.927 122.996 120.300 -0.385 0.000 2.327 88 Y HA 0.244 4.794 4.550 0.000 0.000 0.336 88 Y C 0.367 175.896 175.900 -0.618 0.000 1.035 88 Y CA -0.246 57.594 58.100 -0.434 0.000 1.165 88 Y CB 0.754 38.840 38.460 -0.623 0.000 1.181 88 Y HN 0.366 nan 8.280 nan 0.000 0.494 89 R N 6.213 126.351 120.500 -0.603 0.000 2.393 89 R HA 0.523 4.863 4.340 -0.000 0.000 0.310 89 R C -1.768 174.441 176.300 -0.152 0.000 0.968 89 R CA -0.586 55.306 56.100 -0.348 0.000 0.867 89 R CB 0.661 30.752 30.300 -0.349 0.000 1.124 89 R HN 0.766 nan 8.270 nan 0.000 0.450 90 L N 6.173 127.392 121.223 -0.007 0.000 2.262 90 L HA 0.333 4.673 4.340 -0.000 0.000 0.288 90 L C -0.699 176.169 176.870 -0.003 0.000 1.035 90 L CA -0.971 53.936 54.840 0.111 0.000 0.820 90 L CB 1.109 43.343 42.059 0.292 0.000 1.204 90 L HN 0.434 nan 8.230 nan 0.000 0.424 91 L N 2.788 123.904 121.223 -0.178 0.000 2.439 91 L HA 0.473 4.813 4.340 -0.000 0.000 0.261 91 L C 0.710 177.648 176.870 0.114 0.000 1.153 91 L CA 0.185 54.938 54.840 -0.145 0.000 0.808 91 L CB 0.778 42.608 42.059 -0.381 0.000 1.126 91 L HN 0.613 nan 8.230 nan 0.000 0.460 92 A N 2.297 125.202 122.820 0.141 0.000 2.363 92 A HA 0.495 4.815 4.320 -0.000 0.000 0.270 92 A C 0.183 177.931 177.584 0.273 0.000 1.121 92 A CA -0.500 51.650 52.037 0.188 0.000 0.800 92 A CB 0.030 19.100 19.000 0.117 0.000 1.052 92 A HN 0.680 nan 8.150 nan 0.000 0.493 93 R N 1.958 122.605 120.500 0.244 0.000 2.490 93 R HA 0.218 4.558 4.340 -0.000 0.000 0.280 93 R C -0.316 176.035 176.300 0.086 0.000 1.077 93 R CA -0.632 55.562 56.100 0.156 0.000 1.065 93 R CB 0.568 30.899 30.300 0.051 0.000 1.003 93 R HN 0.670 nan 8.270 nan 0.000 0.470 94 E N 2.430 122.661 120.200 0.052 0.000 2.436 94 E HA -0.075 4.275 4.350 -0.000 0.000 0.262 94 E C 0.040 176.648 176.600 0.014 0.000 1.063 94 E CA 0.243 56.659 56.400 0.027 0.000 0.944 94 E CB 0.455 30.157 29.700 0.004 0.000 0.950 94 E HN 0.262 nan 8.360 nan 0.000 0.444 95 Q N 0.113 119.921 119.800 0.012 0.000 2.274 95 Q HA 0.163 4.503 4.340 -0.000 0.000 0.280 95 Q C 0.956 176.956 176.000 -0.000 0.000 1.047 95 Q CA 0.960 56.768 55.803 0.008 0.000 0.907 95 Q CB 0.661 29.404 28.738 0.007 0.000 1.171 95 Q HN 0.841 nan 8.270 nan 0.000 0.381 96 G N 2.250 111.051 108.800 0.001 0.000 2.162 96 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.260 96 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.260 96 G C 1.092 175.993 174.900 0.001 0.000 0.976 96 G CA 0.808 45.907 45.100 -0.002 0.000 0.655 96 G HN 0.594 nan 8.290 nan 0.000 0.533 97 S N 0.236 115.936 115.700 -0.000 0.000 2.359 97 S HA -0.010 4.460 4.470 -0.000 0.000 0.222 97 S C 2.855 177.504 174.600 0.083 0.000 1.038 97 S CA 2.389 60.595 58.200 0.009 0.000 1.051 97 S CB -0.444 62.741 63.200 -0.025 0.000 0.944 97 S HN 1.734 nan 8.310 nan 0.000 0.433 98 A N 0.047 122.896 122.820 0.048 0.000 1.972 98 A HA -0.050 4.270 4.320 -0.000 0.000 0.219 98 A C 2.046 179.679 177.584 0.081 0.000 1.169 98 A CA 1.832 53.894 52.037 0.042 0.000 0.635 98 A CB -0.669 18.296 19.000 -0.058 0.000 0.810 98 A HN 0.617 nan 8.150 nan 0.000 0.446 99 Q N 0.235 120.060 119.800 0.042 0.000 2.365 99 Q HA 0.037 4.377 4.340 -0.000 0.000 0.203 99 Q C 0.593 176.604 176.000 0.019 0.000 0.929 99 Q CA -0.188 55.630 55.803 0.024 0.000 0.948 99 Q CB -0.318 28.423 28.738 0.005 0.000 1.043 99 Q HN 0.725 nan 8.270 nan 0.000 0.505 100 R N 0.223 120.740 120.500 0.028 0.000 2.566 100 R HA -0.070 4.270 4.340 -0.000 0.000 0.273 100 R C -0.305 175.979 176.300 -0.028 0.000 0.981 100 R CA -0.064 56.027 56.100 -0.015 0.000 1.091 100 R CB 0.117 30.384 30.300 -0.055 0.000 0.924 100 R HN -0.065 nan 8.270 nan 0.000 0.411 101 Q N 2.631 122.408 119.800 -0.038 0.000 2.307 101 Q HA 0.259 4.599 4.340 -0.000 0.000 0.259 101 Q C -0.178 175.786 176.000 -0.061 0.000 0.998 101 Q CA 0.306 56.080 55.803 -0.048 0.000 0.923 101 Q CB 1.371 30.085 28.738 -0.040 0.000 1.196 101 Q HN 0.786 nan 8.270 nan 0.000 0.416 102 G N 3.149 111.887 108.800 -0.104 0.000 2.606 102 G HA2 0.309 4.269 3.960 -0.000 0.000 0.252 102 G HA3 0.309 4.269 3.960 -0.000 0.000 0.252 102 G C -0.546 174.274 174.900 -0.133 0.000 1.206 102 G CA -0.597 44.405 45.100 -0.164 0.000 0.861 102 G HN 0.743 nan 8.290 nan 0.000 0.561 103 F N -0.249 119.666 119.950 -0.057 0.000 2.553 103 F HA 0.568 5.095 4.527 0.000 0.000 0.356 103 F C 0.614 176.375 175.800 -0.064 0.000 1.142 103 F CA -0.409 57.557 58.000 -0.056 0.000 1.322 103 F CB 0.406 39.381 39.000 -0.041 0.000 1.126 103 F HN 0.635 nan 8.300 nan 0.000 0.599 104 G N 1.644 110.497 108.800 0.089 0.000 2.782 104 G HA2 0.491 4.451 3.960 -0.000 0.000 0.304 104 G HA3 0.491 4.451 3.960 -0.000 0.000 0.304 104 G C -2.754 172.135 174.900 -0.020 0.000 1.315 104 G CA -1.259 43.830 45.100 -0.017 0.000 0.791 104 G HN 0.272 nan 8.290 nan 0.000 0.519 105 P HA -0.020 nan 4.420 nan 0.000 0.218 105 P C 1.782 178.918 177.300 -0.273 0.000 1.146 105 P CA 1.769 64.813 63.100 -0.095 0.000 0.813 105 P CB 0.142 31.809 31.700 -0.056 0.000 0.778 106 G N -1.554 106.971 108.800 -0.458 0.000 2.650 106 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.214 106 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.214 106 G C 0.427 175.043 174.900 -0.473 0.000 1.136 106 G CA 0.094 44.607 45.100 -0.978 0.000 0.789 106 G HN 0.221 nan 8.290 nan 0.000 0.536 107 D N 0.152 120.431 120.400 -0.201 0.000 2.348 107 D HA 0.558 5.198 4.640 -0.000 0.000 0.249 107 D C -0.220 176.076 176.300 -0.006 0.000 1.110 107 D CA 0.115 54.080 54.000 -0.058 0.000 0.967 107 D CB 1.895 42.725 40.800 0.050 0.000 1.139 107 D HN 0.114 nan 8.370 nan 0.000 0.466 108 A N 1.323 124.180 122.820 0.062 0.000 2.398 108 A HA 0.566 4.886 4.320 -0.000 0.000 0.301 108 A C -0.664 177.150 177.584 0.382 0.000 1.041 108 A CA -0.629 51.523 52.037 0.192 0.000 0.711 108 A CB 0.801 19.843 19.000 0.071 0.000 1.240 108 A HN 0.463 nan 8.150 nan 0.000 0.420 109 I N 1.925 122.708 120.570 0.355 0.000 2.359 109 I HA 0.276 4.446 4.170 -0.000 0.000 0.294 109 I C -0.859 175.389 176.117 0.219 0.000 0.987 109 I CA -0.539 60.904 61.300 0.238 0.000 1.225 109 I CB 1.350 39.388 38.000 0.064 0.000 1.366 109 I HN 0.716 nan 8.210 nan 0.000 0.466 110 Y N 6.327 126.556 120.300 -0.119 0.000 2.331 110 Y HA 0.312 4.862 4.550 -0.000 0.000 0.338 110 Y C -0.164 175.594 175.900 -0.236 0.000 0.976 110 Y CA -0.336 57.511 58.100 -0.422 0.000 1.137 110 Y CB 1.050 39.139 38.460 -0.620 0.000 1.172 110 Y HN 0.507 nan 8.280 nan 0.000 0.478 111 Q N 7.688 127.177 119.800 -0.518 0.000 2.271 111 Q HA 0.596 4.936 4.340 -0.000 0.000 0.258 111 Q C -1.174 174.407 176.000 -0.697 0.000 0.936 111 Q CA -0.805 54.644 55.803 -0.589 0.000 0.909 111 Q CB 1.192 29.548 28.738 -0.637 0.000 1.253 111 Q HN 0.866 nan 8.270 nan 0.000 0.440 112 I N -0.080 120.106 120.570 -0.641 0.000 2.892 112 I HA 0.523 4.693 4.170 -0.000 0.000 0.306 112 I C -0.956 174.946 176.117 -0.358 0.000 1.078 112 I CA -1.327 59.666 61.300 -0.511 0.000 1.032 112 I CB 2.369 39.986 38.000 -0.639 0.000 1.229 112 I HN 0.539 nan 8.210 nan 0.000 0.435 113 M N 4.357 123.883 119.600 -0.124 0.000 2.088 113 M HA 0.335 4.815 4.480 -0.000 0.000 0.346 113 M C -1.785 174.548 176.300 0.056 0.000 1.111 113 M CA -1.601 53.673 55.300 -0.043 0.000 1.017 113 M CB 1.570 34.251 32.600 0.135 0.000 1.568 113 M HN 0.438 nan 8.290 nan 0.000 0.445 114 P HA -0.209 nan 4.420 nan 0.000 0.216 114 P C 0.704 178.153 177.300 0.248 0.000 1.150 114 P CA 1.628 64.709 63.100 -0.030 0.000 0.843 114 P CB 0.106 31.510 31.700 -0.493 0.000 0.787 115 D N -1.005 119.630 120.400 0.392 0.000 2.264 115 D HA -0.125 4.515 4.640 -0.000 0.000 0.208 115 D C 1.558 178.186 176.300 0.547 0.000 0.966 115 D CA 0.800 55.125 54.000 0.542 0.000 0.864 115 D CB 0.018 41.135 40.800 0.528 0.000 0.933 115 D HN -0.102 nan 8.370 nan 0.000 0.499 116 R N -0.906 119.893 120.500 0.498 0.000 2.437 116 R HA 0.130 4.470 4.340 -0.000 0.000 0.257 116 R C 0.924 177.658 176.300 0.723 0.000 0.927 116 R CA -0.158 56.277 56.100 0.558 0.000 1.078 116 R CB -0.425 30.066 30.300 0.319 0.000 1.161 116 R HN 0.253 nan 8.270 nan 0.000 0.529 117 F N 0.906 121.098 119.950 0.404 0.000 2.204 117 F HA 0.470 4.997 4.527 -0.000 0.000 0.276 117 F C -0.017 175.948 175.800 0.275 0.000 1.085 117 F CA 0.089 58.264 58.000 0.291 0.000 1.160 117 F CB 0.143 39.208 39.000 0.107 0.000 1.091 117 F HN -0.113 nan 8.300 nan 0.000 0.522 118 A N 0.696 123.429 122.820 -0.144 0.000 2.437 118 A HA 0.444 4.764 4.320 -0.000 0.000 0.293 118 A C -1.526 175.744 177.584 -0.524 0.000 1.038 118 A CA -0.609 51.147 52.037 -0.469 0.000 0.708 118 A CB 0.450 19.195 19.000 -0.426 0.000 1.251 118 A HN 0.267 nan 8.150 nan 0.000 0.409 119 N N 2.190 120.323 118.700 -0.945 0.000 2.767 119 N HA 0.305 5.045 4.740 -0.000 0.000 0.238 119 N C 1.090 176.372 175.510 -0.380 0.000 1.083 119 N CA 0.389 53.011 53.050 -0.714 0.000 0.964 119 N CB 0.931 38.712 38.487 -1.177 0.000 1.252 119 N HN 0.712 nan 8.380 nan 0.000 0.512 120 G N 1.049 109.725 108.800 -0.208 0.000 2.572 120 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.216 120 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.216 120 G C 0.051 174.894 174.900 -0.094 0.000 1.133 120 G CA 0.162 45.181 45.100 -0.135 0.000 0.791 120 G HN 0.548 nan 8.290 nan 0.000 0.538 121 D N -1.063 119.291 120.400 -0.078 0.000 2.336 121 D HA 0.323 4.963 4.640 -0.000 0.000 0.248 121 D C -2.085 174.198 176.300 -0.028 0.000 1.326 121 D CA -1.894 52.082 54.000 -0.039 0.000 0.973 121 D CB 1.824 42.617 40.800 -0.012 0.000 1.255 121 D HN -0.125 nan 8.370 nan 0.000 0.558 122 P HA -0.114 nan 4.420 nan 0.000 0.221 122 P C 1.325 178.637 177.300 0.020 0.000 1.145 122 P CA 0.883 63.988 63.100 0.009 0.000 0.795 122 P CB 0.245 31.958 31.700 0.022 0.000 0.775 123 S N 0.056 115.763 115.700 0.011 0.000 2.481 123 S HA -0.114 4.356 4.470 -0.000 0.000 0.231 123 S C 1.504 176.112 174.600 0.014 0.000 0.996 123 S CA 1.019 59.227 58.200 0.013 0.000 0.942 123 S CB -1.263 61.943 63.200 0.009 0.000 0.768 123 S HN 0.196 nan 8.310 nan 0.000 0.520 124 N N 0.786 119.495 118.700 0.014 0.000 2.270 124 N HA 0.106 4.846 4.740 -0.000 0.000 0.198 124 N C 0.258 175.770 175.510 0.003 0.000 1.117 124 N CA 0.278 53.334 53.050 0.010 0.000 0.845 124 N CB -0.365 38.132 38.487 0.017 0.000 0.980 124 N HN 0.158 nan 8.380 nan 0.000 0.486 125 D N 0.322 120.735 120.400 0.022 0.000 2.149 125 D HA -0.072 4.568 4.640 -0.000 0.000 0.198 125 D C -0.165 176.144 176.300 0.015 0.000 0.990 125 D CA 1.194 55.217 54.000 0.038 0.000 0.839 125 D CB -0.061 40.787 40.800 0.079 0.000 0.948 125 D HN 0.325 nan 8.370 nan 0.000 0.460 126 N N -0.265 118.441 118.700 0.010 0.000 2.314 126 N HA 0.370 5.110 4.740 -0.000 0.000 0.304 126 N C -1.009 174.496 175.510 -0.009 0.000 1.073 126 N CA -0.442 52.606 53.050 -0.003 0.000 0.822 126 N CB 2.939 41.429 38.487 0.004 0.000 1.280 126 N HN -0.247 nan 8.380 nan 0.000 0.489 127 V N 0.907 120.810 119.914 -0.018 0.000 2.531 127 V HA 0.488 4.608 4.120 -0.000 0.000 0.301 127 V C 0.168 176.254 176.094 -0.014 0.000 1.034 127 V CA -1.159 61.133 62.300 -0.014 0.000 0.865 127 V CB 1.488 33.300 31.823 -0.018 0.000 0.995 127 V HN 0.826 nan 8.190 nan 0.000 0.424 128 A N 3.524 126.339 122.820 -0.008 0.000 2.567 128 A HA 0.497 4.817 4.320 -0.000 0.000 0.240 128 A C 1.537 179.114 177.584 -0.012 0.000 1.053 128 A CA 1.065 53.097 52.037 -0.009 0.000 0.755 128 A CB -0.481 18.515 19.000 -0.005 0.000 0.978 128 A HN 2.247 nan 8.150 nan 0.000 0.507 129 G N 1.437 110.229 108.800 -0.014 0.000 2.254 129 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.225 129 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.225 129 G C 0.402 175.287 174.900 -0.025 0.000 1.003 129 G CA 0.271 45.362 45.100 -0.016 0.000 0.622 129 G HN 0.756 nan 8.290 nan 0.000 0.507 130 M N 0.166 119.748 119.600 -0.031 0.000 2.228 130 M HA 0.402 4.882 4.480 -0.000 0.000 0.326 130 M C 1.730 177.996 176.300 -0.057 0.000 1.122 130 M CA -0.155 55.117 55.300 -0.047 0.000 1.161 130 M CB 0.608 33.178 32.600 -0.049 0.000 1.437 130 M HN 0.131 nan 8.290 nan 0.000 0.465 131 R N 0.201 120.650 120.500 -0.086 0.000 2.210 131 R HA 0.066 4.406 4.340 -0.000 0.000 0.203 131 R C 0.223 176.480 176.300 -0.072 0.000 1.010 131 R CA 0.623 56.662 56.100 -0.102 0.000 1.008 131 R CB 0.261 30.442 30.300 -0.198 0.000 0.923 131 R HN 0.621 nan 8.270 nan 0.000 0.469 132 E N 0.913 121.077 120.200 -0.060 0.000 2.199 132 E HA 0.105 4.455 4.350 -0.000 0.000 0.269 132 E C -0.827 175.761 176.600 -0.020 0.000 0.899 132 E CA -0.602 55.776 56.400 -0.036 0.000 0.772 132 E CB 1.181 30.862 29.700 -0.032 0.000 1.155 132 E HN -0.132 nan 8.360 nan 0.000 0.408 133 Q N 1.389 121.185 119.800 -0.007 0.000 2.235 133 Q HA 0.409 4.749 4.340 -0.000 0.000 0.250 133 Q C -0.478 175.537 176.000 0.025 0.000 0.909 133 Q CA -0.456 55.350 55.803 0.005 0.000 0.910 133 Q CB 1.718 30.458 28.738 0.003 0.000 1.223 133 Q HN 0.638 nan 8.270 nan 0.000 0.432 134 A N 2.052 124.894 122.820 0.037 0.000 2.483 134 A HA 0.214 4.534 4.320 -0.000 0.000 0.238 134 A C -0.155 177.468 177.584 0.065 0.000 1.070 134 A CA 0.190 52.269 52.037 0.069 0.000 0.770 134 A CB 0.181 19.235 19.000 0.089 0.000 1.008 134 A HN 0.638 nan 8.150 nan 0.000 0.497 135 D N 0.329 120.781 120.400 0.086 0.000 2.318 135 D HA 0.143 4.783 4.640 -0.000 0.000 0.233 135 D C 0.664 176.958 176.300 -0.010 0.000 1.348 135 D CA -0.454 53.573 54.000 0.046 0.000 0.983 135 D CB 0.596 41.441 40.800 0.074 0.000 1.416 135 D HN 0.550 nan 8.370 nan 0.000 0.558 136 R N 1.910 122.317 120.500 -0.155 0.000 2.193 136 R HA -0.017 4.323 4.340 -0.000 0.000 0.229 136 R C 1.004 176.922 176.300 -0.638 0.000 1.110 136 R CA 1.032 56.791 56.100 -0.568 0.000 0.988 136 R CB 0.327 30.370 30.300 -0.427 0.000 0.871 136 R HN 0.036 nan 8.270 nan 0.000 0.458 137 R N -0.709 119.634 120.500 -0.263 0.000 2.310 137 R HA 0.080 4.420 4.340 -0.000 0.000 0.202 137 R C -0.206 176.088 176.300 -0.011 0.000 0.933 137 R CA 0.352 56.361 56.100 -0.152 0.000 1.054 137 R CB -0.240 30.003 30.300 -0.095 0.000 0.985 137 R HN 0.323 nan 8.270 nan 0.000 0.489 138 H N -1.410 117.609 119.070 -0.084 0.000 2.552 138 H HA 0.192 4.748 4.556 -0.000 0.000 0.311 138 H C 1.031 176.410 175.328 0.084 0.000 1.071 138 H CA -0.311 55.733 56.048 -0.007 0.000 1.307 138 H CB 1.365 31.117 29.762 -0.015 0.000 1.416 138 H HN 0.235 nan 8.280 nan 0.000 0.464 139 G N 2.904 111.798 108.800 0.157 0.000 2.475 139 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.220 139 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.220 139 G C 1.313 176.062 174.900 -0.253 0.000 1.125 139 G CA 0.652 45.754 45.100 0.004 0.000 0.755 139 G HN 0.687 nan 8.290 nan 0.000 0.565 140 G N -0.177 108.283 108.800 -0.566 0.000 3.337 140 G HA2 0.491 4.451 3.960 -0.000 0.000 0.246 140 G HA3 0.491 4.451 3.960 -0.000 0.000 0.246 140 G C 0.646 175.119 174.900 -0.712 0.000 1.131 140 G CA 0.437 45.272 45.100 -0.441 0.000 0.773 140 G HN 0.604 nan 8.290 nan 0.000 0.544 141 G N -0.136 108.198 108.800 -0.778 0.000 2.522 141 G HA2 0.504 4.464 3.960 -0.000 0.000 0.304 141 G HA3 0.504 4.464 3.960 -0.000 0.000 0.304 141 G C -0.263 174.543 174.900 -0.157 0.000 1.210 141 G CA -0.993 43.947 45.100 -0.267 0.000 0.960 141 G HN 0.253 nan 8.290 nan 0.000 0.497 142 R N -0.485 120.050 120.500 0.060 0.000 2.298 142 R HA 0.219 4.559 4.340 -0.000 0.000 0.310 142 R C 0.320 176.799 176.300 0.298 0.000 1.068 142 R CA -0.153 56.027 56.100 0.134 0.000 0.957 142 R CB 0.749 31.114 30.300 0.108 0.000 1.003 142 R HN 0.739 nan 8.270 nan 0.000 0.454 143 H N 0.917 120.060 119.070 0.121 0.000 2.595 143 H HA 0.118 4.674 4.556 -0.000 0.000 0.265 143 H C 1.108 176.734 175.328 0.496 0.000 0.953 143 H CA 0.244 56.405 56.048 0.188 0.000 1.197 143 H CB 0.921 30.704 29.762 0.034 0.000 1.438 143 H HN 1.001 nan 8.280 nan 0.000 0.531 144 G N 0.793 109.919 108.800 0.545 0.000 2.175 144 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.182 144 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.182 144 G C 0.652 175.702 174.900 0.249 0.000 1.003 144 G CA -0.238 45.083 45.100 0.369 0.000 0.666 144 G HN 0.603 nan 8.290 nan 0.000 0.506 145 G N 0.352 109.378 108.800 0.377 0.000 2.491 145 G HA2 0.551 4.511 3.960 -0.000 0.000 0.238 145 G HA3 0.551 4.511 3.960 -0.000 0.000 0.238 145 G C 0.010 175.080 174.900 0.284 0.000 1.277 145 G CA 0.998 46.202 45.100 0.174 0.000 0.851 145 G HN 1.029 nan 8.290 nan 0.000 0.573 146 D N -0.438 120.073 120.400 0.185 0.000 2.677 146 D HA 0.222 4.862 4.640 -0.000 0.000 0.298 146 D C 1.061 177.464 176.300 0.173 0.000 1.250 146 D CA -0.901 53.263 54.000 0.273 0.000 0.888 146 D CB 0.445 41.350 40.800 0.175 0.000 1.397 146 D HN 0.197 nan 8.370 nan 0.000 0.461 147 I N -0.522 120.155 120.570 0.178 0.000 2.226 147 I HA -0.174 3.996 4.170 -0.000 0.000 0.245 147 I C 2.602 178.765 176.117 0.077 0.000 1.100 147 I CA 0.945 62.323 61.300 0.129 0.000 1.374 147 I CB -0.217 37.881 38.000 0.164 0.000 1.057 147 I HN 0.416 nan 8.210 nan 0.000 0.413 148 R N 1.149 121.682 120.500 0.054 0.000 2.096 148 R HA -0.190 4.150 4.340 -0.000 0.000 0.240 148 R C 2.320 178.596 176.300 -0.041 0.000 1.139 148 R CA 1.979 58.078 56.100 -0.002 0.000 0.952 148 R CB -0.641 29.651 30.300 -0.013 0.000 0.854 148 R HN 0.428 nan 8.270 nan 0.000 0.436 149 G N -0.916 107.864 108.800 -0.033 0.000 2.418 149 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 149 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 149 G C 1.331 176.250 174.900 0.031 0.000 1.158 149 G CA 1.225 46.289 45.100 -0.061 0.000 0.771 149 G HN 0.370 nan 8.290 nan 0.000 0.545 150 T N 1.401 116.042 114.554 0.145 0.000 2.708 150 T HA -0.071 4.279 4.350 -0.000 0.000 0.266 150 T C 2.392 177.170 174.700 0.131 0.000 1.037 150 T CA 1.078 63.351 62.100 0.287 0.000 1.146 150 T CB -0.191 68.819 68.868 0.237 0.000 0.865 150 T HN 0.244 nan 8.240 nan 0.000 0.435 151 I N 1.364 121.951 120.570 0.027 0.000 2.208 151 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 151 I C 2.263 178.307 176.117 -0.122 0.000 1.097 151 I CA 1.217 62.496 61.300 -0.035 0.000 1.363 151 I CB -0.457 37.519 38.000 -0.041 0.000 1.051 151 I HN 0.139 nan 8.210 nan 0.000 0.413 152 D N -0.033 120.227 120.400 -0.233 0.000 2.228 152 D HA -0.189 4.451 4.640 -0.000 0.000 0.203 152 D C 1.536 177.384 176.300 -0.754 0.000 0.988 152 D CA 1.384 55.080 54.000 -0.506 0.000 0.864 152 D CB -0.206 40.167 40.800 -0.711 0.000 0.928 152 D HN 0.483 nan 8.370 nan 0.000 0.469 153 H N -0.815 118.118 119.070 -0.228 0.000 2.581 153 H HA 0.235 4.791 4.556 -0.000 0.000 0.275 153 H C 1.889 177.231 175.328 0.024 0.000 1.126 153 H CA -0.152 55.734 56.048 -0.269 0.000 1.097 153 H CB 0.464 29.758 29.762 -0.780 0.000 1.626 153 H HN 0.117 nan 8.280 nan 0.000 0.565 154 L N 0.205 121.465 121.223 0.062 0.000 2.079 154 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 154 L C 1.874 178.777 176.870 0.055 0.000 1.081 154 L CA 1.199 56.075 54.840 0.060 0.000 0.752 154 L CB -0.112 41.951 42.059 0.007 0.000 0.896 154 L HN 0.088 nan 8.230 nan 0.000 0.433 155 D N -0.866 119.559 120.400 0.041 0.000 2.182 155 D HA -0.243 4.397 4.640 -0.000 0.000 0.201 155 D C 1.848 178.213 176.300 0.108 0.000 0.986 155 D CA 1.242 55.274 54.000 0.052 0.000 0.847 155 D CB -0.166 40.656 40.800 0.037 0.000 0.942 155 D HN 0.366 nan 8.370 nan 0.000 0.467 156 Y N 1.328 121.667 120.300 0.065 0.000 2.133 156 Y HA -0.138 4.412 4.550 -0.000 0.000 0.287 156 Y C 2.158 178.099 175.900 0.069 0.000 1.134 156 Y CA 1.268 59.451 58.100 0.137 0.000 1.133 156 Y CB -0.426 38.214 38.460 0.301 0.000 0.987 156 Y HN -0.111 nan 8.280 nan 0.000 0.502 157 I N 0.482 121.028 120.570 -0.041 0.000 2.179 157 I HA -0.326 3.844 4.170 -0.000 0.000 0.242 157 I C 2.711 178.741 176.117 -0.146 0.000 1.088 157 I CA 1.382 62.503 61.300 -0.298 0.000 1.357 157 I CB -0.885 36.959 38.000 -0.259 0.000 1.051 157 I HN 0.345 nan 8.210 nan 0.000 0.409 158 A N 0.999 123.783 122.820 -0.060 0.000 1.902 158 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 158 A C 2.441 179.987 177.584 -0.063 0.000 1.181 158 A CA 1.846 53.863 52.037 -0.034 0.000 0.623 158 A CB -1.444 17.546 19.000 -0.016 0.000 0.818 158 A HN 0.474 nan 8.150 nan 0.000 0.443 159 G N -0.552 108.203 108.800 -0.076 0.000 2.448 159 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.219 159 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.219 159 G C 1.419 176.246 174.900 -0.122 0.000 1.127 159 G CA 0.850 45.905 45.100 -0.075 0.000 0.766 159 G HN 0.439 nan 8.290 nan 0.000 0.552 160 L N -0.167 120.935 121.223 -0.202 0.000 2.478 160 L HA 0.185 4.525 4.340 -0.000 0.000 0.223 160 L C 2.074 178.789 176.870 -0.258 0.000 1.140 160 L CA 0.736 55.464 54.840 -0.186 0.000 0.842 160 L CB 0.073 42.041 42.059 -0.152 0.000 0.953 160 L HN 0.433 nan 8.230 nan 0.000 0.452 161 G N -1.086 107.565 108.800 -0.249 0.000 2.168 161 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.197 161 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.197 161 G C 0.020 174.625 174.900 -0.493 0.000 0.997 161 G CA -0.632 44.263 45.100 -0.342 0.000 0.658 161 G HN 0.104 nan 8.290 nan 0.000 0.513 162 F N 1.168 121.061 119.950 -0.095 0.000 2.375 162 F HA 0.550 5.077 4.527 -0.000 0.000 0.333 162 F C 1.680 177.455 175.800 -0.042 0.000 1.104 162 F CA 0.653 58.624 58.000 -0.047 0.000 1.149 162 F CB 1.738 40.722 39.000 -0.026 0.000 1.190 162 F HN 0.083 nan 8.300 nan 0.000 0.533 163 T N -2.056 112.588 114.554 0.150 0.000 3.043 163 T HA 0.293 4.643 4.350 -0.000 0.000 0.272 163 T C 0.004 174.748 174.700 0.074 0.000 0.990 163 T CA -0.208 61.932 62.100 0.066 0.000 0.897 163 T CB 0.096 68.973 68.868 0.014 0.000 1.111 163 T HN 0.447 nan 8.240 nan 0.000 0.529 164 Q N 0.723 120.592 119.800 0.116 0.000 2.340 164 Q HA 0.560 4.900 4.340 -0.000 0.000 0.276 164 Q C -2.048 174.002 176.000 0.083 0.000 1.048 164 Q CA -0.753 55.089 55.803 0.064 0.000 0.832 164 Q CB 3.015 31.756 28.738 0.004 0.000 1.373 164 Q HN 0.290 nan 8.270 nan 0.000 0.409 165 L N 2.413 123.664 121.223 0.048 0.000 2.325 165 L HA 0.610 4.950 4.340 -0.000 0.000 0.281 165 L C -1.718 175.202 176.870 0.082 0.000 1.004 165 L CA -0.273 54.597 54.840 0.051 0.000 0.823 165 L CB 1.094 43.159 42.059 0.010 0.000 1.236 165 L HN 0.696 nan 8.230 nan 0.000 0.415 166 W N 9.785 131.009 121.300 -0.127 0.000 2.338 166 W HA 0.661 5.321 4.660 0.000 0.000 0.315 166 W C -2.783 173.647 176.519 -0.149 0.000 1.005 166 W CA -2.970 54.286 57.345 -0.149 0.000 1.380 166 W CB 0.861 30.205 29.460 -0.193 0.000 1.235 166 W HN 0.391 nan 8.180 nan 0.000 0.409 167 P HA 0.239 nan 4.420 nan 0.000 0.292 167 P C 0.295 177.448 177.300 -0.245 0.000 1.283 167 P CA -0.046 62.888 63.100 -0.277 0.000 0.835 167 P CB 1.393 33.012 31.700 -0.136 0.000 1.017 168 T N 0.685 114.985 114.554 -0.422 0.000 2.734 168 T HA 0.200 4.550 4.350 -0.000 0.000 0.314 168 T C -2.275 172.237 174.700 -0.314 0.000 1.057 168 T CA -1.393 60.533 62.100 -0.290 0.000 1.047 168 T CB -1.176 67.458 68.868 -0.390 0.000 0.991 168 T HN 0.219 nan 8.240 nan 0.000 0.540 169 P HA 0.156 nan 4.420 nan 0.000 0.265 169 P C 0.023 177.117 177.300 -0.344 0.000 1.193 169 P CA -0.107 62.766 63.100 -0.378 0.000 0.765 169 P CB 0.263 31.702 31.700 -0.435 0.000 0.823 170 L N 2.911 123.903 121.223 -0.385 0.000 2.616 170 L HA 0.056 4.396 4.340 -0.000 0.000 0.229 170 L C 0.772 177.570 176.870 -0.120 0.000 1.110 170 L CA 0.209 54.844 54.840 -0.342 0.000 0.884 170 L CB -0.208 41.556 42.059 -0.491 0.000 1.115 170 L HN 0.215 nan 8.230 nan 0.000 0.481 171 V N -2.133 117.656 119.914 -0.208 0.000 3.139 171 V HA 0.040 4.160 4.120 -0.000 0.000 0.307 171 V C 0.701 176.791 176.094 -0.005 0.000 1.095 171 V CA -0.988 61.261 62.300 -0.084 0.000 1.160 171 V CB 0.367 32.155 31.823 -0.059 0.000 1.003 171 V HN 0.268 nan 8.190 nan 0.000 0.489 172 E N 2.522 122.738 120.200 0.025 0.000 2.529 172 E HA -0.029 4.321 4.350 -0.000 0.000 0.259 172 E C -0.227 176.346 176.600 -0.045 0.000 0.966 172 E CA 0.297 56.699 56.400 0.004 0.000 0.937 172 E CB 0.099 29.806 29.700 0.011 0.000 0.923 172 E HN 0.850 nan 8.360 nan 0.000 0.468 173 N N 4.762 123.435 118.700 -0.045 0.000 2.804 173 N HA 0.027 4.767 4.740 -0.000 0.000 0.251 173 N C -1.375 174.103 175.510 -0.054 0.000 1.250 173 N CA -0.336 52.680 53.050 -0.056 0.000 0.820 173 N CB 0.675 39.113 38.487 -0.082 0.000 1.156 173 N HN 0.392 nan 8.380 nan 0.000 0.512 174 D N 2.067 122.441 120.400 -0.044 0.000 2.741 174 D HA 0.229 4.869 4.640 -0.000 0.000 0.233 174 D C -0.326 175.906 176.300 -0.114 0.000 1.160 174 D CA -0.234 53.724 54.000 -0.070 0.000 1.003 174 D CB -0.038 40.725 40.800 -0.061 0.000 1.064 174 D HN 0.407 nan 8.370 nan 0.000 0.503 175 A N 0.801 123.577 122.820 -0.072 0.000 2.282 175 A HA 0.663 4.983 4.320 -0.000 0.000 0.319 175 A C 1.271 178.790 177.584 -0.109 0.000 1.121 175 A CA -0.083 51.928 52.037 -0.044 0.000 0.836 175 A CB 1.216 20.282 19.000 0.110 0.000 1.146 175 A HN 0.367 nan 8.150 nan 0.000 0.494 176 A N 0.345 123.106 122.820 -0.099 0.000 2.066 176 A HA 0.474 4.794 4.320 -0.000 0.000 0.218 176 A C 1.079 178.655 177.584 -0.013 0.000 1.157 176 A CA 1.668 53.674 52.037 -0.051 0.000 0.670 176 A CB -0.363 18.635 19.000 -0.004 0.000 0.804 176 A HN 2.131 nan 8.150 nan 0.000 0.453 177 A N -3.518 119.315 122.820 0.022 0.000 2.572 177 A HA 0.563 4.883 4.320 -0.000 0.000 0.295 177 A C -0.165 177.434 177.584 0.025 0.000 1.072 177 A CA -0.489 51.499 52.037 -0.083 0.000 0.691 177 A CB 0.192 19.129 19.000 -0.105 0.000 1.291 177 A HN 0.933 nan 8.150 nan 0.000 0.404 178 Y N 0.283 120.672 120.300 0.149 0.000 3.825 178 Y HA -0.294 4.256 4.550 -0.000 0.000 0.221 178 Y C 1.938 177.771 175.900 -0.113 0.000 1.195 178 Y CA 1.095 59.290 58.100 0.159 0.000 1.699 178 Y CB -2.510 36.094 38.460 0.241 0.000 1.531 178 Y HN 1.067 nan 8.280 nan 0.000 0.640 179 S N -1.089 114.616 115.700 0.008 0.000 2.447 179 S HA -0.219 4.251 4.470 -0.000 0.000 0.233 179 S C 1.736 176.235 174.600 -0.168 0.000 1.006 179 S CA 0.979 59.111 58.200 -0.114 0.000 0.957 179 S CB -0.744 62.423 63.200 -0.054 0.000 0.773 179 S HN 0.680 nan 8.310 nan 0.000 0.507 180 Y N 3.133 123.369 120.300 -0.107 0.000 2.333 180 Y HA -0.120 4.430 4.550 0.000 0.000 0.290 180 Y C 2.334 178.280 175.900 0.076 0.000 1.144 180 Y CA 1.257 59.357 58.100 0.000 0.000 1.228 180 Y CB -1.363 37.107 38.460 0.016 0.000 0.985 180 Y HN 0.660 nan 8.280 nan 0.000 0.542 181 H N -1.615 117.048 119.070 -0.679 0.000 2.512 181 H HA 0.301 4.857 4.556 -0.000 0.000 0.279 181 H C 1.915 177.103 175.328 -0.235 0.000 0.999 181 H CA 0.638 56.348 56.048 -0.565 0.000 1.283 181 H CB -0.163 29.277 29.762 -0.536 0.000 1.421 181 H HN 0.470 nan 8.280 nan 0.000 0.554 182 G N 0.857 109.537 108.800 -0.200 0.000 2.195 182 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.246 182 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.246 182 G C 0.347 175.133 174.900 -0.189 0.000 0.984 182 G CA 0.380 45.362 45.100 -0.196 0.000 0.633 182 G HN 0.522 nan 8.290 nan 0.000 0.525 183 Y N 0.842 121.328 120.300 0.310 0.000 2.471 183 Y HA 0.542 5.092 4.550 -0.000 0.000 0.286 183 Y C 1.783 177.816 175.900 0.222 0.000 1.188 183 Y CA 0.823 59.062 58.100 0.231 0.000 1.286 183 Y CB 0.571 39.134 38.460 0.172 0.000 1.072 183 Y HN 0.590 nan 8.280 nan 0.000 0.517 184 A N 0.434 123.398 122.820 0.240 0.000 3.105 184 A HA 0.736 5.056 4.320 -0.000 0.000 0.336 184 A C 0.110 177.716 177.584 0.036 0.000 1.042 184 A CA -0.561 51.585 52.037 0.182 0.000 0.851 184 A CB -0.666 18.452 19.000 0.197 0.000 1.068 184 A HN 0.167 nan 8.150 nan 0.000 0.477 185 A N 1.097 123.886 122.820 -0.052 0.000 2.511 185 A HA 0.465 4.785 4.320 -0.000 0.000 0.242 185 A C 1.322 178.812 177.584 -0.156 0.000 1.069 185 A CA 0.796 52.714 52.037 -0.198 0.000 0.763 185 A CB -0.022 18.643 19.000 -0.559 0.000 1.001 185 A HN 1.341 nan 8.150 nan 0.000 0.498 186 T N -1.708 112.732 114.554 -0.190 0.000 3.010 186 T HA 0.269 4.619 4.350 -0.000 0.000 0.257 186 T C -0.134 174.178 174.700 -0.646 0.000 1.020 186 T CA 0.561 62.473 62.100 -0.314 0.000 0.938 186 T CB 0.139 68.936 68.868 -0.118 0.000 1.049 186 T HN 0.608 nan 8.240 nan 0.000 0.522 187 D N 0.154 120.336 120.400 -0.365 0.000 2.354 187 D HA 0.154 4.794 4.640 -0.000 0.000 0.230 187 D C -0.012 176.317 176.300 0.049 0.000 1.361 187 D CA -0.388 53.522 54.000 -0.150 0.000 0.992 187 D CB 0.780 41.603 40.800 0.038 0.000 1.409 187 D HN -0.007 nan 8.370 nan 0.000 0.573 188 H N 2.306 121.488 119.070 0.187 0.000 2.546 188 H HA -0.020 4.536 4.556 -0.000 0.000 0.277 188 H C 0.336 175.789 175.328 0.207 0.000 1.004 188 H CA 0.924 57.095 56.048 0.205 0.000 1.231 188 H CB 0.465 30.362 29.762 0.224 0.000 1.382 188 H HN 0.480 nan 8.280 nan 0.000 0.580 189 Y N -0.134 120.366 120.300 0.333 0.000 2.524 189 Y HA 0.213 4.763 4.550 -0.000 0.000 0.266 189 Y C 0.730 176.773 175.900 0.238 0.000 1.180 189 Y CA -0.125 58.011 58.100 0.061 0.000 1.244 189 Y CB 0.761 39.044 38.460 -0.295 0.000 1.125 189 Y HN -0.117 nan 8.280 nan 0.000 0.524 190 R N 0.627 121.431 120.500 0.507 0.000 2.533 190 R HA 0.344 4.684 4.340 -0.000 0.000 0.288 190 R C -1.238 175.287 176.300 0.376 0.000 1.039 190 R CA -0.663 55.693 56.100 0.426 0.000 0.909 190 R CB 0.846 31.303 30.300 0.261 0.000 1.195 190 R HN -0.067 nan 8.270 nan 0.000 0.438 191 I N 3.037 123.843 120.570 0.392 0.000 2.775 191 I HA -0.084 4.086 4.170 -0.000 0.000 0.290 191 I C 0.715 176.941 176.117 0.182 0.000 1.203 191 I CA 0.494 61.922 61.300 0.213 0.000 1.433 191 I CB 0.168 38.306 38.000 0.229 0.000 1.354 191 I HN 0.718 nan 8.210 nan 0.000 0.579 192 D N 9.107 129.605 120.400 0.163 0.000 2.520 192 D HA -0.028 4.612 4.640 -0.000 0.000 0.243 192 D C -1.560 174.770 176.300 0.050 0.000 1.160 192 D CA -0.969 53.074 54.000 0.071 0.000 0.877 192 D CB 1.381 42.172 40.800 -0.016 0.000 1.150 192 D HN 0.252 nan 8.370 nan 0.000 0.494 193 P HA -0.088 nan 4.420 nan 0.000 0.223 193 P C 1.001 178.295 177.300 -0.010 0.000 1.144 193 P CA 0.864 63.985 63.100 0.036 0.000 0.783 193 P CB 0.187 31.901 31.700 0.024 0.000 0.771 194 R N -2.047 118.383 120.500 -0.117 0.000 2.235 194 R HA -0.073 4.267 4.340 -0.000 0.000 0.213 194 R C 1.619 177.820 176.300 -0.166 0.000 1.059 194 R CA 1.021 57.012 56.100 -0.181 0.000 0.997 194 R CB -0.461 29.671 30.300 -0.280 0.000 0.884 194 R HN 0.292 nan 8.270 nan 0.000 0.462 195 Y N -0.937 119.397 120.300 0.055 0.000 2.476 195 Y HA 0.285 4.835 4.550 -0.000 0.000 0.283 195 Y C 1.448 177.394 175.900 0.077 0.000 1.109 195 Y CA 0.581 58.719 58.100 0.064 0.000 1.246 195 Y CB 0.509 39.002 38.460 0.055 0.000 1.068 195 Y HN 0.162 nan 8.280 nan 0.000 0.552 196 G N -0.717 108.214 108.800 0.218 0.000 2.302 196 G HA2 0.207 4.167 3.960 -0.000 0.000 0.264 196 G HA3 0.207 4.167 3.960 -0.000 0.000 0.264 196 G C -0.961 174.055 174.900 0.192 0.000 1.335 196 G CA -0.498 44.708 45.100 0.178 0.000 0.982 196 G HN 0.296 nan 8.290 nan 0.000 0.473 197 S N -0.531 115.290 115.700 0.202 0.000 2.722 197 S HA 0.542 5.012 4.470 -0.000 0.000 0.292 197 S C 1.108 175.906 174.600 0.329 0.000 1.135 197 S CA 0.197 58.537 58.200 0.233 0.000 1.003 197 S CB 1.739 65.056 63.200 0.195 0.000 1.067 197 S HN 0.590 nan 8.310 nan 0.000 0.546 198 N N 1.220 120.163 118.700 0.406 0.000 2.094 198 N HA -0.115 4.625 4.740 -0.000 0.000 0.191 198 N C 1.557 177.370 175.510 0.505 0.000 1.023 198 N CA 1.796 55.203 53.050 0.595 0.000 0.857 198 N CB -0.536 38.371 38.487 0.701 0.000 1.013 198 N HN 0.767 nan 8.380 nan 0.000 0.426 199 E N 0.153 120.573 120.200 0.367 0.000 2.110 199 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 199 E C 0.941 177.640 176.600 0.166 0.000 0.988 199 E CA 0.891 57.431 56.400 0.232 0.000 0.804 199 E CB -0.065 29.747 29.700 0.187 0.000 0.745 199 E HN 0.378 nan 8.360 nan 0.000 0.458 200 D N 0.244 120.760 120.400 0.194 0.000 2.123 200 D HA -0.165 4.475 4.640 -0.000 0.000 0.196 200 D C 1.625 178.033 176.300 0.179 0.000 0.992 200 D CA 0.753 54.848 54.000 0.158 0.000 0.833 200 D CB -0.323 40.581 40.800 0.173 0.000 0.954 200 D HN 0.100 nan 8.370 nan 0.000 0.455 201 F N 1.434 121.446 119.950 0.103 0.000 2.102 201 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 201 F C 2.229 178.038 175.800 0.014 0.000 1.105 201 F CA 0.871 58.917 58.000 0.076 0.000 1.239 201 F CB -0.370 38.722 39.000 0.153 0.000 0.991 201 F HN -0.217 nan 8.300 nan 0.000 0.474 202 V N 0.782 120.690 119.914 -0.011 0.000 2.332 202 V HA -0.338 3.782 4.120 -0.000 0.000 0.248 202 V C 2.578 178.562 176.094 -0.184 0.000 1.055 202 V CA 2.336 64.506 62.300 -0.217 0.000 1.038 202 V CB -0.865 30.780 31.823 -0.297 0.000 0.651 202 V HN 0.302 nan 8.190 nan 0.000 0.450 203 R N -0.386 120.059 120.500 -0.092 0.000 2.096 203 R HA -0.180 4.160 4.340 -0.000 0.000 0.235 203 R C 2.268 178.505 176.300 -0.106 0.000 1.127 203 R CA 1.641 57.696 56.100 -0.075 0.000 0.968 203 R CB -0.379 29.907 30.300 -0.023 0.000 0.861 203 R HN 0.460 nan 8.270 nan 0.000 0.440 204 L N 0.300 121.441 121.223 -0.135 0.000 2.013 204 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 204 L C 2.238 178.978 176.870 -0.217 0.000 1.073 204 L CA 2.307 57.048 54.840 -0.165 0.000 0.753 204 L CB -0.963 40.979 42.059 -0.195 0.000 0.890 204 L HN 0.137 nan 8.230 nan 0.000 0.432 205 S N -1.955 113.553 115.700 -0.321 0.000 2.356 205 S HA -0.234 4.236 4.470 -0.000 0.000 0.223 205 S C 2.104 176.604 174.600 -0.167 0.000 1.032 205 S CA 1.873 59.909 58.200 -0.273 0.000 1.005 205 S CB -0.601 62.402 63.200 -0.330 0.000 0.867 205 S HN 0.700 nan 8.310 nan 0.000 0.449 206 T N 1.044 115.510 114.554 -0.147 0.000 2.746 206 T HA -0.062 4.288 4.350 -0.000 0.000 0.267 206 T C 1.746 176.399 174.700 -0.079 0.000 1.039 206 T CA 1.439 63.479 62.100 -0.100 0.000 1.142 206 T CB -0.395 68.423 68.868 -0.084 0.000 0.866 206 T HN 0.364 nan 8.240 nan 0.000 0.444 207 E N 0.878 121.031 120.200 -0.079 0.000 2.106 207 E HA 0.035 4.385 4.350 -0.000 0.000 0.192 207 E C 2.463 179.029 176.600 -0.057 0.000 0.984 207 E CA 1.080 57.443 56.400 -0.062 0.000 0.806 207 E CB -0.640 29.025 29.700 -0.059 0.000 0.750 207 E HN 0.586 nan 8.360 nan 0.000 0.458 208 A N 1.450 124.229 122.820 -0.069 0.000 1.902 208 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 208 A C 2.233 179.789 177.584 -0.047 0.000 1.181 208 A CA 1.716 53.720 52.037 -0.055 0.000 0.623 208 A CB -0.493 18.466 19.000 -0.068 0.000 0.818 208 A HN 0.128 nan 8.150 nan 0.000 0.443 209 R N -0.096 120.369 120.500 -0.058 0.000 2.096 209 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 209 R C 2.009 178.285 176.300 -0.039 0.000 1.127 209 R CA 1.610 57.681 56.100 -0.049 0.000 0.968 209 R CB -0.226 30.039 30.300 -0.058 0.000 0.861 209 R HN 0.501 nan 8.270 nan 0.000 0.440 210 K N -0.075 120.301 120.400 -0.040 0.000 2.152 210 K HA -0.158 4.162 4.320 -0.000 0.000 0.206 210 K C 1.541 178.125 176.600 -0.027 0.000 1.048 210 K CA 1.398 57.665 56.287 -0.032 0.000 0.933 210 K CB 0.005 32.485 32.500 -0.034 0.000 0.721 210 K HN 0.187 nan 8.250 nan 0.000 0.447 211 R N -0.638 119.846 120.500 -0.026 0.000 2.466 211 R HA 0.089 4.429 4.340 -0.000 0.000 0.279 211 R C 0.605 176.894 176.300 -0.018 0.000 0.976 211 R CA 0.364 56.452 56.100 -0.020 0.000 1.081 211 R CB 0.833 31.122 30.300 -0.018 0.000 1.215 211 R HN 0.302 nan 8.270 nan 0.000 0.546 212 G N 1.034 109.822 108.800 -0.020 0.000 2.136 212 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.242 212 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.242 212 G C 0.039 174.931 174.900 -0.013 0.000 0.989 212 G CA 0.008 45.097 45.100 -0.018 0.000 0.682 212 G HN 0.211 nan 8.290 nan 0.000 0.522 213 M N 0.477 120.069 119.600 -0.013 0.000 2.383 213 M HA 0.576 5.056 4.480 -0.000 0.000 0.325 213 M C 0.836 177.129 176.300 -0.013 0.000 1.092 213 M CA -0.152 55.147 55.300 -0.002 0.000 0.961 213 M CB 2.052 34.655 32.600 0.004 0.000 1.672 213 M HN 0.213 nan 8.290 nan 0.000 0.438 214 G N 1.588 110.390 108.800 0.002 0.000 2.502 214 G HA2 0.644 4.604 3.960 -0.000 0.000 0.305 214 G HA3 0.644 4.604 3.960 -0.000 0.000 0.305 214 G C -1.759 173.132 174.900 -0.014 0.000 1.190 214 G CA -0.466 44.632 45.100 -0.004 0.000 0.933 214 G HN 0.556 nan 8.290 nan 0.000 0.503 215 L N 0.392 121.596 121.223 -0.032 0.000 2.349 215 L HA 0.607 4.947 4.340 -0.000 0.000 0.278 215 L C -0.705 176.167 176.870 0.003 0.000 0.996 215 L CA -0.632 54.181 54.840 -0.045 0.000 0.825 215 L CB 1.485 43.456 42.059 -0.147 0.000 1.243 215 L HN 0.393 nan 8.230 nan 0.000 0.412 216 I N 4.506 125.096 120.570 0.033 0.000 2.339 216 I HA 0.373 4.543 4.170 -0.000 0.000 0.290 216 I C -0.195 175.980 176.117 0.097 0.000 0.994 216 I CA -0.477 60.843 61.300 0.033 0.000 1.191 216 I CB 1.654 39.584 38.000 -0.117 0.000 1.343 216 I HN 0.632 nan 8.210 nan 0.000 0.458 217 Q N 5.097 124.953 119.800 0.093 0.000 2.235 217 Q HA 0.163 4.503 4.340 -0.000 0.000 0.250 217 Q C -0.904 175.115 176.000 0.031 0.000 0.909 217 Q CA -0.613 55.251 55.803 0.101 0.000 0.910 217 Q CB 1.542 30.328 28.738 0.081 0.000 1.223 217 Q HN 0.467 nan 8.270 nan 0.000 0.432 218 D N 3.266 123.700 120.400 0.057 0.000 2.359 218 D HA 0.271 4.911 4.640 -0.000 0.000 0.230 218 D C -1.126 175.175 176.300 0.001 0.000 1.118 218 D CA -0.276 53.766 54.000 0.070 0.000 0.844 218 D CB 1.040 42.009 40.800 0.281 0.000 1.059 218 D HN 0.376 nan 8.370 nan 0.000 0.493 219 V N 1.610 121.542 119.914 0.029 0.000 2.555 219 V HA 0.662 4.782 4.120 -0.000 0.000 0.302 219 V C -0.208 175.908 176.094 0.037 0.000 1.038 219 V CA -0.844 61.474 62.300 0.030 0.000 0.887 219 V CB 1.682 33.551 31.823 0.077 0.000 0.991 219 V HN 0.190 nan 8.190 nan 0.000 0.434 220 V N 5.683 125.606 119.914 0.016 0.000 2.435 220 V HA 0.431 4.551 4.120 -0.000 0.000 0.290 220 V C 0.621 176.647 176.094 -0.113 0.000 1.030 220 V CA -0.256 61.995 62.300 -0.080 0.000 0.881 220 V CB 1.357 33.070 31.823 -0.183 0.000 0.983 220 V HN 0.928 nan 8.190 nan 0.000 0.445 221 L N 2.551 123.669 121.223 -0.176 0.000 2.577 221 L HA 0.118 4.458 4.340 -0.000 0.000 0.225 221 L C 2.252 178.981 176.870 -0.235 0.000 1.053 221 L CA 0.610 55.344 54.840 -0.176 0.000 0.866 221 L CB -0.016 41.947 42.059 -0.161 0.000 1.132 221 L HN 0.719 nan 8.230 nan 0.000 0.486 222 S N -0.758 114.794 115.700 -0.246 0.000 2.387 222 S HA -0.046 4.424 4.470 -0.000 0.000 0.226 222 S C 0.642 175.164 174.600 -0.130 0.000 1.026 222 S CA 0.422 58.517 58.200 -0.175 0.000 0.972 222 S CB -0.138 63.038 63.200 -0.040 0.000 0.814 222 S HN 0.536 nan 8.310 nan 0.000 0.477 223 H N -0.968 118.023 119.070 -0.130 0.000 2.977 223 H HA 0.647 5.203 4.556 -0.000 0.000 0.350 223 H C -0.517 174.775 175.328 -0.060 0.000 1.238 223 H CA -0.948 55.012 56.048 -0.145 0.000 1.124 223 H CB 1.068 30.726 29.762 -0.173 0.000 1.866 223 H HN 0.348 nan 8.280 nan 0.000 0.550 224 I N -1.717 118.886 120.570 0.054 0.000 3.322 224 I HA 0.758 4.928 4.170 -0.000 0.000 0.313 224 I C 0.150 176.300 176.117 0.055 0.000 1.129 224 I CA -1.490 59.822 61.300 0.020 0.000 0.963 224 I CB 2.029 39.987 38.000 -0.070 0.000 1.273 224 I HN 0.655 nan 8.210 nan 0.000 0.473 225 G N 0.570 109.400 108.800 0.050 0.000 2.448 225 G HA2 0.293 4.253 3.960 -0.000 0.000 0.285 225 G HA3 0.293 4.253 3.960 -0.000 0.000 0.285 225 G C 0.425 175.349 174.900 0.040 0.000 1.176 225 G CA -0.543 44.598 45.100 0.068 0.000 0.852 225 G HN 0.939 nan 8.290 nan 0.000 0.530 226 K N -0.585 119.820 120.400 0.009 0.000 2.362 226 K HA -0.066 4.254 4.320 -0.000 0.000 0.200 226 K C 0.889 177.418 176.600 -0.119 0.000 1.046 226 K CA 1.054 57.308 56.287 -0.055 0.000 0.952 226 K CB -0.012 32.439 32.500 -0.083 0.000 0.753 226 K HN 0.524 nan 8.250 nan 0.000 0.466 227 H N 0.174 119.288 119.070 0.073 0.000 2.533 227 H HA 0.041 4.597 4.556 -0.000 0.000 0.271 227 H C -0.007 175.351 175.328 0.050 0.000 1.000 227 H CA -0.035 56.052 56.048 0.065 0.000 1.149 227 H CB -0.222 29.566 29.762 0.044 0.000 1.375 227 H HN 0.275 nan 8.280 nan 0.000 0.582 228 H N 1.753 120.825 119.070 0.003 0.000 3.001 228 H HA -0.133 4.423 4.556 -0.000 0.000 0.334 228 H C 1.272 176.536 175.328 -0.108 0.000 1.034 228 H CA 0.154 56.108 56.048 -0.157 0.000 1.420 228 H CB 0.424 29.979 29.762 -0.344 0.000 1.405 228 H HN 0.499 nan 8.280 nan 0.000 0.593 229 W N 4.976 126.197 121.300 -0.133 0.000 2.364 229 W HA -0.156 4.504 4.660 -0.000 0.000 0.281 229 W C 1.048 177.676 176.519 0.181 0.000 1.219 229 W CA -0.124 57.223 57.345 0.003 0.000 1.220 229 W CB -1.153 28.236 29.460 -0.118 0.000 1.127 229 W HN 0.544 nan 8.180 nan 0.000 0.556 230 W N 1.129 122.193 121.300 -0.393 0.000 2.325 230 W HA -0.208 4.452 4.660 0.000 0.000 0.299 230 W C 2.387 178.785 176.519 -0.202 0.000 1.215 230 W CA 1.043 58.059 57.345 -0.548 0.000 1.244 230 W CB -1.295 27.656 29.460 -0.849 0.000 1.140 230 W HN -0.083 nan 8.180 nan 0.000 0.523 231 M N 0.151 119.844 119.600 0.155 0.000 2.460 231 M HA -0.105 4.375 4.480 -0.000 0.000 0.263 231 M C 1.615 177.997 176.300 0.136 0.000 1.071 231 M CA 1.111 56.487 55.300 0.126 0.000 1.096 231 M CB -1.242 31.426 32.600 0.113 0.000 1.408 231 M HN 0.067 nan 8.290 nan 0.000 0.463 232 K N -0.075 120.431 120.400 0.177 0.000 2.288 232 K HA -0.072 4.248 4.320 -0.000 0.000 0.201 232 K C 0.050 176.758 176.600 0.179 0.000 1.048 232 K CA 0.763 57.159 56.287 0.182 0.000 0.956 232 K CB 0.128 32.764 32.500 0.226 0.000 0.746 232 K HN 0.133 nan 8.250 nan 0.000 0.461 233 D N 0.122 120.638 120.400 0.192 0.000 2.491 233 D HA 0.115 4.755 4.640 -0.000 0.000 0.232 233 D C -1.081 175.302 176.300 0.139 0.000 1.334 233 D CA -0.202 53.920 54.000 0.204 0.000 0.909 233 D CB 0.195 41.173 40.800 0.296 0.000 1.513 233 D HN -0.102 nan 8.370 nan 0.000 0.514 234 L N 3.699 124.924 121.223 0.002 0.000 2.559 234 L HA 0.154 4.494 4.340 -0.000 0.000 0.274 234 L C -1.081 175.529 176.870 -0.433 0.000 1.205 234 L CA -0.978 53.737 54.840 -0.209 0.000 0.907 234 L CB 0.429 42.433 42.059 -0.091 0.000 1.153 234 L HN 0.249 nan 8.230 nan 0.000 0.490 235 P HA -0.114 nan 4.420 nan 0.000 0.216 235 P C 0.253 177.164 177.300 -0.648 0.000 1.153 235 P CA 1.214 63.371 63.100 -1.571 0.000 0.858 235 P CB 0.152 30.325 31.700 -2.544 0.000 0.789 236 T N -7.876 106.462 114.554 -0.361 0.000 2.896 236 T HA 0.437 4.787 4.350 -0.000 0.000 0.297 236 T C -2.568 172.115 174.700 -0.028 0.000 1.108 236 T CA -2.175 59.875 62.100 -0.084 0.000 1.004 236 T CB 1.629 70.515 68.868 0.030 0.000 1.159 236 T HN -0.300 nan 8.240 nan 0.000 0.499 237 P HA 0.017 nan 4.420 nan 0.000 0.222 237 P C 0.584 177.896 177.300 0.020 0.000 1.147 237 P CA 0.950 64.057 63.100 0.012 0.000 0.790 237 P CB -0.030 31.677 31.700 0.011 0.000 0.780 238 D N -2.986 117.420 120.400 0.010 0.000 2.424 238 D HA -0.060 4.580 4.640 -0.000 0.000 0.220 238 D C 1.344 177.617 176.300 -0.043 0.000 1.150 238 D CA -0.545 53.440 54.000 -0.025 0.000 0.831 238 D CB -1.262 39.498 40.800 -0.065 0.000 0.981 238 D HN 0.227 nan 8.370 nan 0.000 0.500 239 W N 1.013 122.172 121.300 -0.236 0.000 2.358 239 W HA 0.007 4.667 4.660 -0.000 0.000 0.303 239 W C -0.329 176.017 176.519 -0.289 0.000 1.208 239 W CA 0.604 57.743 57.345 -0.344 0.000 1.274 239 W CB 0.310 29.480 29.460 -0.482 0.000 1.138 239 W HN -0.127 nan 8.180 nan 0.000 0.515 240 I N 1.609 122.191 120.570 0.019 0.000 2.412 240 I HA 0.121 4.291 4.170 -0.000 0.000 0.296 240 I C -0.050 176.089 176.117 0.035 0.000 0.987 240 I CA -1.094 60.203 61.300 -0.005 0.000 1.180 240 I CB 0.623 38.692 38.000 0.114 0.000 1.340 240 I HN -0.131 nan 8.210 nan 0.000 0.455 241 N N 4.930 123.635 118.700 0.009 0.000 2.395 241 N HA -0.011 4.729 4.740 -0.000 0.000 0.246 241 N C -0.711 174.923 175.510 0.206 0.000 1.246 241 N CA 0.235 53.264 53.050 -0.035 0.000 0.879 241 N CB 0.015 38.443 38.487 -0.099 0.000 1.098 241 N HN 0.422 nan 8.380 nan 0.000 0.444 242 Y N -0.478 119.908 120.300 0.143 0.000 3.929 242 Y HA -0.219 4.331 4.550 0.000 0.000 0.225 242 Y C 1.323 177.271 175.900 0.080 0.000 1.200 242 Y CA 0.807 58.953 58.100 0.077 0.000 1.791 242 Y CB -2.180 36.286 38.460 0.010 0.000 1.561 242 Y HN 0.905 nan 8.280 nan 0.000 0.657 243 G N -1.062 107.825 108.800 0.145 0.000 2.249 243 G HA2 0.101 4.061 3.960 -0.000 0.000 0.273 243 G HA3 0.101 4.061 3.960 -0.000 0.000 0.273 243 G C 1.367 176.373 174.900 0.177 0.000 1.036 243 G CA 1.195 46.369 45.100 0.123 0.000 0.824 243 G HN 2.128 nan 8.290 nan 0.000 0.504 244 G N -1.888 107.088 108.800 0.293 0.000 2.159 244 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.256 244 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.256 244 G C 0.328 175.487 174.900 0.431 0.000 0.977 244 G CA 1.049 46.384 45.100 0.391 0.000 0.652 244 G HN 0.968 nan 8.290 nan 0.000 0.531 245 K N -0.190 120.352 120.400 0.237 0.000 2.164 245 K HA 0.537 4.857 4.320 -0.000 0.000 0.258 245 K C -0.208 175.950 176.600 -0.737 0.000 0.951 245 K CA -1.481 54.743 56.287 -0.104 0.000 0.844 245 K CB 1.305 33.761 32.500 -0.072 0.000 1.099 245 K HN 0.166 nan 8.250 nan 0.000 0.435 246 F N 2.886 122.105 119.950 -1.218 0.000 2.538 246 F HA 0.074 4.601 4.527 -0.000 0.000 0.382 246 F C -0.529 174.691 175.800 -0.967 0.000 1.069 246 F CA -0.224 56.806 58.000 -1.617 0.000 1.138 246 F CB 0.103 38.618 39.000 -0.808 0.000 1.068 246 F HN 0.059 nan 8.300 nan 0.000 0.556 247 V N 9.188 128.240 119.914 -1.436 0.000 2.447 247 V HA 0.322 4.442 4.120 -0.000 0.000 0.292 247 V C -2.151 173.403 176.094 -0.899 0.000 1.021 247 V CA -1.645 59.948 62.300 -1.177 0.000 0.850 247 V CB 1.660 32.765 31.823 -1.196 0.000 1.005 247 V HN 0.627 nan 8.190 nan 0.000 0.426 248 P HA 0.119 nan 4.420 nan 0.000 0.275 248 P C 0.028 177.196 177.300 -0.220 0.000 1.227 248 P CA 0.155 63.030 63.100 -0.375 0.000 0.781 248 P CB 0.949 32.475 31.700 -0.291 0.000 0.906 249 T N 1.544 116.015 114.554 -0.137 0.000 2.918 249 T HA 0.033 4.383 4.350 -0.000 0.000 0.302 249 T C 0.987 175.460 174.700 -0.378 0.000 1.045 249 T CA 0.246 62.209 62.100 -0.229 0.000 1.114 249 T CB 0.104 68.814 68.868 -0.264 0.000 0.965 249 T HN 0.266 nan 8.240 nan 0.000 0.540 250 Q N 1.566 121.199 119.800 -0.279 0.000 2.247 250 Q HA 0.224 4.564 4.340 -0.000 0.000 0.204 250 Q C -0.067 175.727 176.000 -0.343 0.000 0.872 250 Q CA 0.394 56.024 55.803 -0.289 0.000 0.951 250 Q CB -0.322 28.262 28.738 -0.257 0.000 1.099 250 Q HN 1.005 nan 8.270 nan 0.000 0.501 251 H N -2.357 116.676 119.070 -0.061 0.000 2.903 251 H HA -0.176 4.380 4.556 -0.000 0.000 0.285 251 H C -0.929 174.365 175.328 -0.058 0.000 1.231 251 H CA 0.639 56.781 56.048 0.158 0.000 1.135 251 H CB -2.223 27.572 29.762 0.055 0.000 1.328 251 H HN 0.428 nan 8.280 nan 0.000 0.388 252 H N 1.055 120.198 119.070 0.121 0.000 3.045 252 H HA 0.081 4.637 4.556 -0.000 0.000 0.254 252 H C 1.719 176.684 175.328 -0.603 0.000 1.747 252 H CA 0.020 55.985 56.048 -0.139 0.000 1.444 252 H CB 0.353 30.083 29.762 -0.054 0.000 1.778 252 H HN 0.504 nan 8.280 nan 0.000 0.544 253 R N 0.601 120.634 120.500 -0.777 0.000 2.152 253 R HA -0.117 4.223 4.340 -0.000 0.000 0.232 253 R C 1.470 177.385 176.300 -0.642 0.000 1.117 253 R CA 1.606 56.843 56.100 -1.439 0.000 0.981 253 R CB -0.503 29.366 30.300 -0.717 0.000 0.870 253 R HN 0.448 nan 8.270 nan 0.000 0.451 254 V N -1.669 118.064 119.914 -0.302 0.000 3.141 254 V HA 0.160 4.280 4.120 -0.000 0.000 0.265 254 V C 2.390 178.405 176.094 -0.132 0.000 1.126 254 V CA 1.059 63.264 62.300 -0.158 0.000 1.141 254 V CB -0.371 31.399 31.823 -0.088 0.000 0.743 254 V HN 0.345 nan 8.190 nan 0.000 0.492 255 A N 1.514 124.244 122.820 -0.151 0.000 2.024 255 A HA -0.083 4.237 4.320 -0.000 0.000 0.220 255 A C 2.298 179.866 177.584 -0.027 0.000 1.164 255 A CA 2.133 54.134 52.037 -0.060 0.000 0.643 255 A CB -0.805 18.190 19.000 -0.008 0.000 0.806 255 A HN 1.266 nan 8.150 nan 0.000 0.451 256 V N -2.082 117.802 119.914 -0.050 0.000 3.380 256 V HA 0.009 4.129 4.120 -0.000 0.000 0.268 256 V C 0.848 176.886 176.094 -0.094 0.000 1.168 256 V CA 1.320 63.612 62.300 -0.013 0.000 1.156 256 V CB -1.022 30.857 31.823 0.095 0.000 0.785 256 V HN 0.801 nan 8.190 nan 0.000 0.487 257 Q N 0.094 119.851 119.800 -0.071 0.000 2.409 257 Q HA 0.458 4.798 4.340 -0.000 0.000 0.345 257 Q C -0.920 175.152 176.000 0.121 0.000 0.847 257 Q CA -0.295 55.502 55.803 -0.011 0.000 1.092 257 Q CB 0.521 29.150 28.738 -0.181 0.000 1.377 257 Q HN 0.456 nan 8.270 nan 0.000 0.399 258 D N 1.298 121.772 120.400 0.122 0.000 2.788 258 D HA 0.264 4.904 4.640 -0.000 0.000 0.247 258 D C -1.877 174.398 176.300 -0.042 0.000 1.236 258 D CA -2.118 51.852 54.000 -0.049 0.000 0.898 258 D CB 2.223 42.995 40.800 -0.046 0.000 1.401 258 D HN -0.016 nan 8.370 nan 0.000 0.549 259 P HA -0.115 nan 4.420 nan 0.000 0.221 259 P C 0.426 177.566 177.300 -0.267 0.000 1.145 259 P CA 0.923 63.822 63.100 -0.335 0.000 0.795 259 P CB 0.128 31.352 31.700 -0.792 0.000 0.775 260 Y N -0.394 119.887 120.300 -0.032 0.000 2.524 260 Y HA 0.479 5.029 4.550 -0.000 0.000 0.266 260 Y C 1.448 177.334 175.900 -0.024 0.000 1.180 260 Y CA -1.406 56.675 58.100 -0.030 0.000 1.244 260 Y CB -1.047 37.380 38.460 -0.055 0.000 1.125 260 Y HN -0.103 nan 8.280 nan 0.000 0.524 261 A N 1.086 123.961 122.820 0.090 0.000 2.445 261 A HA 0.572 4.892 4.320 -0.000 0.000 0.242 261 A C 0.560 178.173 177.584 0.048 0.000 1.075 261 A CA 0.051 52.119 52.037 0.052 0.000 0.777 261 A CB -0.034 18.987 19.000 0.036 0.000 1.013 261 A HN 0.365 nan 8.150 nan 0.000 0.493 262 A N 1.380 124.216 122.820 0.027 0.000 2.331 262 A HA 0.426 4.746 4.320 -0.000 0.000 0.283 262 A C 0.894 178.500 177.584 0.036 0.000 1.142 262 A CA -0.370 51.682 52.037 0.025 0.000 0.812 262 A CB 0.279 19.283 19.000 0.007 0.000 1.074 262 A HN 0.957 nan 8.150 nan 0.000 0.497 263 Q N 1.684 121.508 119.800 0.040 0.000 2.152 263 Q HA -0.249 4.091 4.340 -0.000 0.000 0.206 263 Q C 2.300 178.337 176.000 0.062 0.000 0.985 263 Q CA 1.753 57.586 55.803 0.049 0.000 0.863 263 Q CB -0.297 28.466 28.738 0.041 0.000 0.904 263 Q HN 0.952 nan 8.270 nan 0.000 0.422 264 A N 1.460 124.312 122.820 0.054 0.000 1.917 264 A HA -0.264 4.056 4.320 -0.000 0.000 0.219 264 A C 1.624 179.265 177.584 0.095 0.000 1.182 264 A CA 2.047 54.124 52.037 0.066 0.000 0.633 264 A CB -0.449 18.576 19.000 0.042 0.000 0.819 264 A HN 0.269 nan 8.150 nan 0.000 0.448 265 D N -1.130 119.320 120.400 0.083 0.000 2.137 265 D HA -0.059 4.581 4.640 -0.000 0.000 0.202 265 D C 2.319 178.718 176.300 0.166 0.000 0.970 265 D CA 1.428 55.504 54.000 0.128 0.000 0.837 265 D CB -0.348 40.477 40.800 0.042 0.000 0.981 265 D HN 0.397 nan 8.370 nan 0.000 0.475 266 S N 0.280 116.054 115.700 0.123 0.000 2.356 266 S HA -0.174 4.296 4.470 -0.000 0.000 0.223 266 S C 1.773 176.484 174.600 0.185 0.000 1.032 266 S CA 1.220 59.510 58.200 0.150 0.000 1.005 266 S CB -0.073 63.186 63.200 0.099 0.000 0.867 266 S HN 0.191 nan 8.310 nan 0.000 0.449 267 E N 0.911 121.198 120.200 0.145 0.000 2.077 267 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 267 E C 2.165 178.884 176.600 0.197 0.000 0.989 267 E CA 1.040 57.526 56.400 0.142 0.000 0.800 267 E CB -0.266 29.505 29.700 0.118 0.000 0.746 267 E HN 0.593 nan 8.360 nan 0.000 0.452 268 N N 0.178 119.005 118.700 0.211 0.000 2.223 268 N HA -0.170 4.570 4.740 -0.000 0.000 0.185 268 N C 1.738 177.377 175.510 0.215 0.000 1.016 268 N CA 0.740 53.915 53.050 0.208 0.000 0.863 268 N CB -0.049 38.533 38.487 0.159 0.000 0.983 268 N HN 0.074 nan 8.380 nan 0.000 0.429 269 F N 1.781 121.774 119.950 0.072 0.000 2.163 269 F HA -0.074 4.453 4.527 -0.000 0.000 0.297 269 F C 2.696 178.543 175.800 0.077 0.000 1.094 269 F CA 1.930 59.941 58.000 0.018 0.000 1.290 269 F CB -0.732 38.249 39.000 -0.032 0.000 1.017 269 F HN 0.091 nan 8.300 nan 0.000 0.483 270 T N -3.231 111.373 114.554 0.085 0.000 3.051 270 T HA 0.060 4.410 4.350 -0.000 0.000 0.255 270 T C 1.696 176.409 174.700 0.022 0.000 1.085 270 T CA 0.628 62.733 62.100 0.008 0.000 1.109 270 T CB -0.111 68.805 68.868 0.079 0.000 0.921 270 T HN 0.232 nan 8.240 nan 0.000 0.488 271 K N 0.664 121.118 120.400 0.091 0.000 2.399 271 K HA 0.307 4.627 4.320 -0.000 0.000 0.196 271 K C 1.348 178.180 176.600 0.388 0.000 1.117 271 K CA 0.004 56.361 56.287 0.117 0.000 0.965 271 K CB 0.371 32.845 32.500 -0.043 0.000 0.983 271 K HN 0.381 nan 8.250 nan 0.000 0.531 272 G N 1.446 110.472 108.800 0.376 0.000 2.414 272 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.236 272 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.236 272 G C -0.834 174.300 174.900 0.391 0.000 1.293 272 G CA -0.267 45.038 45.100 0.342 0.000 0.869 272 G HN 0.082 nan 8.290 nan 0.000 0.556 273 W N 2.333 123.696 121.300 0.104 0.000 2.253 273 W HA 0.342 5.002 4.660 -0.000 0.000 0.322 273 W C 1.056 177.640 176.519 0.110 0.000 1.342 273 W CA -1.053 56.394 57.345 0.170 0.000 1.218 273 W CB 0.114 29.785 29.460 0.351 0.000 1.205 273 W HN 0.553 nan 8.180 nan 0.000 0.551 274 F N 2.405 122.394 119.950 0.065 0.000 2.095 274 F HA -0.071 4.456 4.527 -0.000 0.000 0.298 274 F C 1.040 176.869 175.800 0.048 0.000 1.104 274 F CA 2.346 60.289 58.000 -0.095 0.000 1.232 274 F CB -0.007 38.738 39.000 -0.425 0.000 0.987 274 F HN 0.011 nan 8.300 nan 0.000 0.475 275 V N -3.646 116.405 119.914 0.229 0.000 3.206 275 V HA 0.305 4.425 4.120 -0.000 0.000 0.305 275 V C 0.710 176.826 176.094 0.036 0.000 1.257 275 V CA -0.686 61.686 62.300 0.119 0.000 1.057 275 V CB 1.290 33.143 31.823 0.049 0.000 1.075 275 V HN 0.096 nan 8.190 nan 0.000 0.443 276 E N 1.467 121.357 120.200 -0.518 0.000 2.171 276 E HA -0.126 4.224 4.350 -0.000 0.000 0.197 276 E C 1.671 178.209 176.600 -0.104 0.000 0.997 276 E CA 2.059 57.913 56.400 -0.910 0.000 0.810 276 E CB -0.372 28.638 29.700 -1.149 0.000 0.738 276 E HN 1.091 nan 8.360 nan 0.000 0.467 277 G N -0.280 108.499 108.800 -0.035 0.000 3.088 277 G HA2 0.060 4.020 3.960 -0.000 0.000 0.212 277 G HA3 0.060 4.020 3.960 -0.000 0.000 0.212 277 G C 0.446 175.378 174.900 0.053 0.000 1.173 277 G CA -0.273 44.854 45.100 0.045 0.000 0.779 277 G HN 0.102 nan 8.290 nan 0.000 0.540 278 M N 1.244 120.868 119.600 0.040 0.000 2.236 278 M HA 0.260 4.740 4.480 -0.000 0.000 0.228 278 M C -2.772 173.300 176.300 -0.379 0.000 0.906 278 M CA -1.731 53.517 55.300 -0.087 0.000 0.761 278 M CB 2.403 34.897 32.600 -0.176 0.000 1.439 278 M HN -0.224 nan 8.290 nan 0.000 0.394 279 P HA -0.057 nan 4.420 nan 0.000 0.264 279 P C -0.889 175.838 177.300 -0.955 0.000 1.183 279 P CA 0.432 62.596 63.100 -1.559 0.000 0.763 279 P CB 0.443 31.679 31.700 -0.773 0.000 0.807 280 D N 2.306 121.993 120.400 -1.188 0.000 2.232 280 D HA 0.244 4.884 4.640 -0.000 0.000 0.242 280 D C -0.375 175.737 176.300 -0.314 0.000 1.093 280 D CA -0.361 53.343 54.000 -0.493 0.000 0.845 280 D CB 0.312 40.944 40.800 -0.280 0.000 1.124 280 D HN 0.179 nan 8.370 nan 0.000 0.467 281 L N 3.586 124.650 121.223 -0.265 0.000 2.367 281 L HA 0.191 4.531 4.340 -0.000 0.000 0.275 281 L C 0.590 177.232 176.870 -0.380 0.000 1.129 281 L CA -0.482 54.153 54.840 -0.343 0.000 0.839 281 L CB 0.424 42.268 42.059 -0.359 0.000 1.133 281 L HN 0.457 nan 8.230 nan 0.000 0.453 282 N N 2.821 121.258 118.700 -0.438 0.000 2.508 282 N HA 0.031 4.771 4.740 -0.000 0.000 0.253 282 N C 0.535 175.759 175.510 -0.476 0.000 1.145 282 N CA 0.148 52.962 53.050 -0.394 0.000 0.973 282 N CB 0.607 38.891 38.487 -0.338 0.000 1.305 282 N HN 0.513 nan 8.380 nan 0.000 0.506 283 Q N 0.332 119.859 119.800 -0.455 0.000 2.482 283 Q HA -0.039 4.301 4.340 -0.000 0.000 0.209 283 Q C 1.459 177.290 176.000 -0.283 0.000 0.961 283 Q CA 0.928 56.407 55.803 -0.539 0.000 0.945 283 Q CB 0.218 28.430 28.738 -0.877 0.000 1.012 283 Q HN 0.722 nan 8.270 nan 0.000 0.515 284 T N -1.999 112.428 114.554 -0.212 0.000 3.055 284 T HA -0.063 4.287 4.350 -0.000 0.000 0.265 284 T C 0.909 175.515 174.700 -0.157 0.000 1.111 284 T CA 0.040 62.065 62.100 -0.126 0.000 1.118 284 T CB -0.039 68.772 68.868 -0.096 0.000 0.909 284 T HN 0.033 nan 8.240 nan 0.000 0.501 285 N N 2.815 121.364 118.700 -0.251 0.000 2.420 285 N HA 0.157 4.897 4.740 -0.000 0.000 0.262 285 N C -2.006 173.343 175.510 -0.268 0.000 1.144 285 N CA -1.952 50.933 53.050 -0.274 0.000 0.952 285 N CB 1.720 39.977 38.487 -0.384 0.000 1.081 285 N HN 0.060 nan 8.380 nan 0.000 0.480 286 P HA -0.095 nan 4.420 nan 0.000 0.219 286 P C 1.466 178.673 177.300 -0.156 0.000 1.146 286 P CA 0.990 64.018 63.100 -0.121 0.000 0.808 286 P CB 0.317 31.966 31.700 -0.084 0.000 0.779 287 L N -1.509 119.558 121.223 -0.261 0.000 2.083 287 L HA -0.133 4.207 4.340 -0.000 0.000 0.209 287 L C 2.327 179.040 176.870 -0.260 0.000 1.083 287 L CA 1.238 55.914 54.840 -0.274 0.000 0.752 287 L CB -1.104 40.677 42.059 -0.464 0.000 0.899 287 L HN -0.114 nan 8.230 nan 0.000 0.433 288 V N 0.020 119.556 119.914 -0.630 0.000 2.379 288 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 288 V C 2.781 178.693 176.094 -0.304 0.000 1.044 288 V CA 1.622 63.444 62.300 -0.798 0.000 1.036 288 V CB -0.776 30.363 31.823 -1.139 0.000 0.664 288 V HN 0.444 nan 8.190 nan 0.000 0.453 289 A N 0.767 123.458 122.820 -0.214 0.000 1.865 289 A HA -0.268 4.052 4.320 -0.000 0.000 0.217 289 A C 2.074 179.802 177.584 0.239 0.000 1.191 289 A CA 2.261 54.356 52.037 0.096 0.000 0.623 289 A CB -0.802 18.326 19.000 0.214 0.000 0.826 289 A HN 0.580 nan 8.150 nan 0.000 0.444 290 N N -1.412 117.368 118.700 0.135 0.000 2.104 290 N HA -0.202 4.538 4.740 -0.000 0.000 0.190 290 N C 1.572 177.208 175.510 0.210 0.000 1.024 290 N CA 1.798 54.935 53.050 0.146 0.000 0.853 290 N CB -0.711 37.839 38.487 0.106 0.000 1.008 290 N HN 0.695 nan 8.380 nan 0.000 0.424 291 Y N 1.418 121.809 120.300 0.152 0.000 2.128 291 Y HA -0.116 4.434 4.550 -0.000 0.000 0.284 291 Y C 2.211 178.263 175.900 0.254 0.000 1.154 291 Y CA 1.471 59.724 58.100 0.256 0.000 1.149 291 Y CB -0.327 38.322 38.460 0.315 0.000 0.976 291 Y HN -0.019 nan 8.280 nan 0.000 0.505 292 L N -0.666 120.763 121.223 0.344 0.000 2.072 292 L HA -0.185 4.155 4.340 -0.000 0.000 0.205 292 L C 2.380 179.461 176.870 0.350 0.000 1.079 292 L CA 1.149 56.164 54.840 0.292 0.000 0.752 292 L CB -0.490 41.741 42.059 0.287 0.000 0.906 292 L HN 0.262 nan 8.230 nan 0.000 0.436 293 I N -0.438 120.372 120.570 0.400 0.000 2.127 293 I HA -0.341 3.829 4.170 -0.000 0.000 0.241 293 I C 2.659 178.916 176.117 0.234 0.000 1.075 293 I CA 1.500 62.972 61.300 0.287 0.000 1.334 293 I CB -0.296 37.803 38.000 0.166 0.000 1.040 293 I HN 0.328 nan 8.210 nan 0.000 0.405 294 Q N 0.192 120.120 119.800 0.214 0.000 2.124 294 Q HA -0.227 4.113 4.340 -0.000 0.000 0.202 294 Q C 2.106 178.355 176.000 0.414 0.000 0.977 294 Q CA 1.580 57.574 55.803 0.319 0.000 0.850 294 Q CB -0.380 28.401 28.738 0.072 0.000 0.901 294 Q HN 0.533 nan 8.270 nan 0.000 0.429 295 N N 0.735 119.523 118.700 0.146 0.000 2.120 295 N HA -0.171 4.569 4.740 -0.000 0.000 0.188 295 N C 1.204 176.883 175.510 0.281 0.000 1.024 295 N CA 1.264 54.301 53.050 -0.021 0.000 0.852 295 N CB 0.073 38.308 38.487 -0.420 0.000 1.003 295 N HN 0.185 nan 8.380 nan 0.000 0.424 296 N N 0.994 119.895 118.700 0.336 0.000 2.216 296 N HA 0.020 4.760 4.740 -0.000 0.000 0.183 296 N C 1.901 177.642 175.510 0.386 0.000 1.017 296 N CA 0.548 53.845 53.050 0.412 0.000 0.861 296 N CB -0.278 38.444 38.487 0.392 0.000 0.986 296 N HN 0.331 nan 8.380 nan 0.000 0.428 297 I N -0.657 120.127 120.570 0.355 0.000 2.208 297 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 297 I C 2.144 178.419 176.117 0.263 0.000 1.097 297 I CA 0.940 62.436 61.300 0.326 0.000 1.363 297 I CB -0.166 38.044 38.000 0.351 0.000 1.051 297 I HN 0.246 nan 8.210 nan 0.000 0.413 298 W N 0.966 122.410 121.300 0.239 0.000 2.335 298 W HA -0.249 4.410 4.660 -0.000 0.000 0.311 298 W C 2.194 178.826 176.519 0.187 0.000 1.213 298 W CA 1.505 58.988 57.345 0.231 0.000 1.274 298 W CB -0.593 29.061 29.460 0.325 0.000 1.148 298 W HN 0.083 nan 8.180 nan 0.000 0.498 299 W N 0.171 121.749 121.300 0.464 0.000 2.358 299 W HA -0.179 4.481 4.660 0.000 0.000 0.303 299 W C 2.343 178.916 176.519 0.090 0.000 1.208 299 W CA 1.397 58.922 57.345 0.300 0.000 1.274 299 W CB -0.782 28.877 29.460 0.332 0.000 1.138 299 W HN -0.178 nan 8.180 nan 0.000 0.515 300 I N -0.177 120.533 120.570 0.233 0.000 2.179 300 I HA -0.294 3.876 4.170 -0.000 0.000 0.242 300 I C 2.360 178.358 176.117 -0.198 0.000 1.088 300 I CA 1.633 62.900 61.300 -0.055 0.000 1.357 300 I CB -0.516 37.311 38.000 -0.288 0.000 1.051 300 I HN -0.080 nan 8.210 nan 0.000 0.409 301 E N 0.317 120.342 120.200 -0.292 0.000 2.047 301 E HA -0.266 4.084 4.350 -0.000 0.000 0.191 301 E C 2.105 178.526 176.600 -0.297 0.000 0.987 301 E CA 1.387 57.451 56.400 -0.559 0.000 0.799 301 E CB -0.319 28.538 29.700 -1.405 0.000 0.752 301 E HN 0.466 nan 8.360 nan 0.000 0.449 302 Y N -0.018 120.109 120.300 -0.288 0.000 2.200 302 Y HA 0.044 4.594 4.550 -0.000 0.000 0.290 302 Y C 1.752 177.652 175.900 -0.001 0.000 1.137 302 Y CA 1.648 59.707 58.100 -0.068 0.000 1.163 302 Y CB -0.426 37.710 38.460 -0.541 0.000 0.988 302 Y HN 0.083 nan 8.280 nan 0.000 0.518 303 A N -0.785 122.001 122.820 -0.058 0.000 2.308 303 A HA 0.415 4.735 4.320 -0.000 0.000 0.217 303 A C 1.590 179.088 177.584 -0.143 0.000 1.216 303 A CA 0.438 52.406 52.037 -0.116 0.000 0.864 303 A CB -1.081 18.041 19.000 0.204 0.000 0.902 303 A HN 0.839 nan 8.150 nan 0.000 0.499 304 G N 0.186 108.911 108.800 -0.126 0.000 2.295 304 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.287 304 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.287 304 G C 0.033 174.851 174.900 -0.137 0.000 1.055 304 G CA 0.427 45.442 45.100 -0.142 0.000 0.922 304 G HN 0.489 nan 8.290 nan 0.000 0.503 305 L N -0.395 120.754 121.223 -0.123 0.000 2.452 305 L HA 0.344 4.684 4.340 -0.000 0.000 0.267 305 L C 1.634 178.440 176.870 -0.106 0.000 1.188 305 L CA -0.014 54.775 54.840 -0.086 0.000 0.821 305 L CB 1.125 43.173 42.059 -0.018 0.000 1.102 305 L HN 0.140 nan 8.230 nan 0.000 0.470 306 S N 0.221 115.904 115.700 -0.029 0.000 2.556 306 S HA 0.362 4.832 4.470 -0.000 0.000 0.216 306 S C 0.420 175.073 174.600 0.089 0.000 0.970 306 S CA 0.384 58.594 58.200 0.016 0.000 0.912 306 S CB 0.361 63.605 63.200 0.073 0.000 0.790 306 S HN 0.955 nan 8.310 nan 0.000 0.504 307 G N 0.417 109.275 108.800 0.096 0.000 2.343 307 G HA2 0.364 4.324 3.960 -0.000 0.000 0.289 307 G HA3 0.364 4.324 3.960 -0.000 0.000 0.289 307 G C -2.271 172.739 174.900 0.183 0.000 1.295 307 G CA -1.007 44.194 45.100 0.168 0.000 0.869 307 G HN 0.151 nan 8.290 nan 0.000 0.522 308 L N -0.176 121.173 121.223 0.209 0.000 2.393 308 L HA 0.762 5.102 4.340 -0.000 0.000 0.260 308 L C -0.098 176.786 176.870 0.023 0.000 1.002 308 L CA -1.141 53.758 54.840 0.099 0.000 0.818 308 L CB 2.411 44.545 42.059 0.125 0.000 1.369 308 L HN 0.596 nan 8.230 nan 0.000 0.412 309 R N 2.504 122.900 120.500 -0.174 0.000 2.387 309 R HA 0.590 4.930 4.340 -0.000 0.000 0.314 309 R C -1.498 174.725 176.300 -0.127 0.000 0.958 309 R CA -0.472 55.421 56.100 -0.345 0.000 0.846 309 R CB 1.190 30.882 30.300 -1.013 0.000 1.147 309 R HN 0.614 nan 8.270 nan 0.000 0.447 310 I N 3.694 124.245 120.570 -0.031 0.000 2.328 310 I HA 0.139 4.309 4.170 -0.000 0.000 0.287 310 I C 0.242 176.429 176.117 0.116 0.000 1.012 310 I CA -0.801 60.554 61.300 0.091 0.000 1.195 310 I CB 1.560 39.695 38.000 0.225 0.000 1.350 310 I HN 0.525 nan 8.210 nan 0.000 0.464 311 D N 4.248 124.712 120.400 0.107 0.000 2.368 311 D HA 0.071 4.711 4.640 -0.000 0.000 0.240 311 D C 0.552 176.907 176.300 0.091 0.000 1.169 311 D CA 0.595 54.665 54.000 0.116 0.000 0.906 311 D CB 0.751 41.639 40.800 0.147 0.000 1.187 311 D HN 0.767 nan 8.370 nan 0.000 0.435 312 T N 0.167 114.780 114.554 0.098 0.000 3.639 312 T HA -0.335 4.015 4.350 -0.000 0.000 0.386 312 T C 0.850 175.705 174.700 0.259 0.000 0.764 312 T CA 1.215 63.409 62.100 0.158 0.000 1.954 312 T CB -2.297 66.468 68.868 -0.173 0.000 1.755 312 T HN 0.523 nan 8.240 nan 0.000 0.715 313 Y N 1.792 122.142 120.300 0.083 0.000 2.070 313 Y HA 0.084 4.634 4.550 -0.000 0.000 0.280 313 Y C 2.413 178.173 175.900 -0.233 0.000 1.148 313 Y CA 2.280 60.296 58.100 -0.141 0.000 1.125 313 Y CB -0.819 37.456 38.460 -0.309 0.000 0.975 313 Y HN 0.536 nan 8.280 nan 0.000 0.492 314 G N -2.406 106.284 108.800 -0.182 0.000 2.848 314 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.208 314 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.208 314 G C 0.899 175.796 174.900 -0.006 0.000 1.152 314 G CA 0.167 45.177 45.100 -0.151 0.000 0.789 314 G HN 0.523 nan 8.290 nan 0.000 0.531 315 Y N 1.104 121.271 120.300 -0.222 0.000 2.583 315 Y HA 0.163 4.713 4.550 -0.000 0.000 0.293 315 Y C 1.652 177.402 175.900 -0.250 0.000 1.157 315 Y CA -0.018 57.807 58.100 -0.459 0.000 1.315 315 Y CB 0.268 38.523 38.460 -0.342 0.000 1.021 315 Y HN 0.028 nan 8.280 nan 0.000 0.536 316 S N 0.055 115.708 115.700 -0.079 0.000 2.610 316 S HA 0.047 4.517 4.470 -0.000 0.000 0.273 316 S C -0.487 174.128 174.600 0.026 0.000 1.274 316 S CA -0.969 57.190 58.200 -0.069 0.000 1.023 316 S CB 0.655 63.817 63.200 -0.064 0.000 0.962 316 S HN 0.249 nan 8.310 nan 0.000 0.523 317 D N 1.061 121.493 120.400 0.052 0.000 2.533 317 D HA 0.167 4.807 4.640 -0.000 0.000 0.236 317 D C 1.409 177.853 176.300 0.241 0.000 1.137 317 D CA 0.566 54.642 54.000 0.126 0.000 0.867 317 D CB 0.440 41.289 40.800 0.083 0.000 1.170 317 D HN 0.515 nan 8.370 nan 0.000 0.474 318 G N 3.150 112.100 108.800 0.250 0.000 2.440 318 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 318 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 318 G C 1.452 176.618 174.900 0.444 0.000 1.154 318 G CA 0.795 46.121 45.100 0.376 0.000 0.767 318 G HN 0.643 nan 8.290 nan 0.000 0.552 319 A N 0.414 123.418 122.820 0.306 0.000 1.930 319 A HA 0.088 4.408 4.320 -0.000 0.000 0.217 319 A C 2.152 179.850 177.584 0.191 0.000 1.175 319 A CA 1.573 53.743 52.037 0.222 0.000 0.627 319 A CB -0.543 18.548 19.000 0.152 0.000 0.815 319 A HN 0.474 nan 8.150 nan 0.000 0.443 320 F N 0.728 120.727 119.950 0.082 0.000 2.095 320 F HA -0.175 4.352 4.527 -0.000 0.000 0.298 320 F C 1.800 177.666 175.800 0.110 0.000 1.104 320 F CA 1.822 59.855 58.000 0.055 0.000 1.232 320 F CB -0.362 38.629 39.000 -0.016 0.000 0.987 320 F HN 0.144 nan 8.300 nan 0.000 0.475 321 L N -0.308 120.867 121.223 -0.080 0.000 2.083 321 L HA -0.227 4.113 4.340 -0.000 0.000 0.209 321 L C 2.400 179.297 176.870 0.045 0.000 1.083 321 L CA 1.776 56.530 54.840 -0.143 0.000 0.752 321 L CB -1.154 40.950 42.059 0.074 0.000 0.899 321 L HN 0.180 nan 8.230 nan 0.000 0.433 322 T N -0.901 113.725 114.554 0.121 0.000 2.684 322 T HA -0.279 4.071 4.350 -0.000 0.000 0.267 322 T C 1.762 176.462 174.700 -0.000 0.000 1.036 322 T CA 1.852 63.978 62.100 0.044 0.000 1.148 322 T CB -0.167 68.670 68.868 -0.050 0.000 0.863 322 T HN 0.442 nan 8.240 nan 0.000 0.436 323 E N -0.264 119.903 120.200 -0.054 0.000 2.072 323 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 323 E C 2.112 178.627 176.600 -0.141 0.000 0.985 323 E CA 0.848 57.196 56.400 -0.087 0.000 0.801 323 E CB -0.292 29.378 29.700 -0.049 0.000 0.750 323 E HN 0.644 nan 8.360 nan 0.000 0.452 324 Y N 1.961 122.006 120.300 -0.425 0.000 2.128 324 Y HA -0.251 4.299 4.550 -0.000 0.000 0.284 324 Y C 2.574 178.359 175.900 -0.190 0.000 1.154 324 Y CA 2.851 60.699 58.100 -0.419 0.000 1.149 324 Y CB -0.721 37.226 38.460 -0.855 0.000 0.976 324 Y HN 0.210 nan 8.280 nan 0.000 0.505 325 T N -1.318 113.284 114.554 0.080 0.000 2.821 325 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 325 T C 2.072 176.711 174.700 -0.103 0.000 1.046 325 T CA 1.300 63.450 62.100 0.084 0.000 1.139 325 T CB -0.533 68.503 68.868 0.279 0.000 0.871 325 T HN 0.415 nan 8.240 nan 0.000 0.454 326 R N 0.815 121.200 120.500 -0.192 0.000 2.073 326 R HA -0.051 4.289 4.340 -0.000 0.000 0.234 326 R C 2.785 178.872 176.300 -0.355 0.000 1.134 326 R CA 0.969 56.773 56.100 -0.492 0.000 0.952 326 R CB -0.123 29.971 30.300 -0.344 0.000 0.850 326 R HN 0.241 nan 8.270 nan 0.000 0.433 327 R N 0.475 120.814 120.500 -0.268 0.000 2.073 327 R HA -0.100 4.240 4.340 -0.000 0.000 0.234 327 R C 2.303 178.465 176.300 -0.230 0.000 1.134 327 R CA 0.924 56.880 56.100 -0.240 0.000 0.952 327 R CB -0.699 29.453 30.300 -0.246 0.000 0.850 327 R HN 0.303 nan 8.270 nan 0.000 0.433 328 L N 0.343 121.394 121.223 -0.286 0.000 2.046 328 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 328 L C 2.301 179.128 176.870 -0.072 0.000 1.077 328 L CA 1.440 56.172 54.840 -0.180 0.000 0.747 328 L CB -0.645 41.242 42.059 -0.288 0.000 0.896 328 L HN 0.176 nan 8.230 nan 0.000 0.432 329 M N -1.060 118.478 119.600 -0.104 0.000 2.419 329 M HA -0.023 4.457 4.480 -0.000 0.000 0.264 329 M C 2.361 178.606 176.300 -0.092 0.000 1.082 329 M CA 1.093 56.364 55.300 -0.048 0.000 1.119 329 M CB -1.317 31.285 32.600 0.004 0.000 1.398 329 M HN 0.174 nan 8.290 nan 0.000 0.453 330 A N 0.214 122.936 122.820 -0.162 0.000 1.930 330 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 330 A C 2.115 179.589 177.584 -0.183 0.000 1.175 330 A CA 1.191 53.141 52.037 -0.145 0.000 0.627 330 A CB -0.301 18.617 19.000 -0.136 0.000 0.815 330 A HN 0.360 nan 8.150 nan 0.000 0.443 331 E N -0.853 119.174 120.200 -0.288 0.000 2.047 331 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 331 E C -0.324 175.863 176.600 -0.689 0.000 0.987 331 E CA 1.035 57.077 56.400 -0.597 0.000 0.799 331 E CB -0.226 28.892 29.700 -0.971 0.000 0.752 331 E HN 0.735 nan 8.360 nan 0.000 0.449 332 Y N 0.270 120.525 120.300 -0.076 0.000 2.748 332 Y HA 0.228 4.778 4.550 0.000 0.000 0.359 332 Y C -1.712 174.147 175.900 -0.067 0.000 1.030 332 Y CA -2.380 55.674 58.100 -0.077 0.000 1.169 332 Y CB 1.166 39.574 38.460 -0.086 0.000 1.127 332 Y HN -0.012 nan 8.280 nan 0.000 0.644 333 P HA -0.131 nan 4.420 nan 0.000 0.222 333 P C 0.724 178.030 177.300 0.010 0.000 1.147 333 P CA 1.287 64.397 63.100 0.016 0.000 0.790 333 P CB 0.417 32.116 31.700 -0.002 0.000 0.780 334 R N -1.304 119.202 120.500 0.010 0.000 2.334 334 R HA 0.194 4.534 4.340 -0.000 0.000 0.216 334 R C 0.852 177.112 176.300 -0.067 0.000 0.905 334 R CA -0.631 55.452 56.100 -0.029 0.000 1.064 334 R CB -0.289 29.996 30.300 -0.026 0.000 1.046 334 R HN 0.163 nan 8.270 nan 0.000 0.508 335 L N 0.950 122.148 121.223 -0.042 0.000 2.476 335 L HA 0.073 4.413 4.340 -0.000 0.000 0.264 335 L C 0.026 176.759 176.870 -0.228 0.000 1.224 335 L CA 0.498 55.272 54.840 -0.111 0.000 0.821 335 L CB 0.438 42.473 42.059 -0.041 0.000 1.101 335 L HN -0.038 nan 8.230 nan 0.000 0.488 336 N N 2.307 120.758 118.700 -0.415 0.000 2.269 336 N HA 0.585 5.325 4.740 -0.000 0.000 0.304 336 N C -1.646 173.615 175.510 -0.414 0.000 1.072 336 N CA -0.438 52.221 53.050 -0.651 0.000 0.802 336 N CB 1.498 39.082 38.487 -1.505 0.000 1.348 336 N HN 0.516 nan 8.380 nan 0.000 0.484 337 M N 1.850 121.330 119.600 -0.200 0.000 2.267 337 M HA 0.288 4.768 4.480 -0.000 0.000 0.289 337 M C -1.046 175.276 176.300 0.037 0.000 1.043 337 M CA -1.031 54.285 55.300 0.025 0.000 0.928 337 M CB 2.522 35.170 32.600 0.079 0.000 1.613 337 M HN 0.138 nan 8.290 nan 0.000 0.450 338 V N 2.967 122.943 119.914 0.105 0.000 2.347 338 V HA 0.779 4.899 4.120 -0.000 0.000 0.280 338 V C 0.068 176.099 176.094 -0.105 0.000 1.021 338 V CA -0.053 62.249 62.300 0.004 0.000 0.847 338 V CB 1.307 33.143 31.823 0.022 0.000 0.990 338 V HN 0.948 nan 8.190 nan 0.000 0.444 339 G N 4.614 113.295 108.800 -0.198 0.000 2.420 339 G HA2 0.333 4.293 3.960 -0.000 0.000 0.284 339 G HA3 0.333 4.293 3.960 -0.000 0.000 0.284 339 G C -0.400 174.437 174.900 -0.106 0.000 1.177 339 G CA -0.350 44.577 45.100 -0.290 0.000 0.841 339 G HN 0.746 nan 8.290 nan 0.000 0.527 340 Q N 1.033 120.864 119.800 0.051 0.000 2.503 340 Q HA 0.171 4.511 4.340 -0.000 0.000 0.227 340 Q C -0.791 175.378 176.000 0.281 0.000 1.109 340 Q CA -0.434 55.489 55.803 0.200 0.000 0.922 340 Q CB 0.720 29.574 28.738 0.194 0.000 1.249 340 Q HN 0.521 nan 8.270 nan 0.000 0.530 341 E N 4.794 125.169 120.200 0.292 0.000 2.070 341 E HA 0.057 4.407 4.350 -0.000 0.000 0.261 341 E C -1.535 175.248 176.600 0.305 0.000 0.926 341 E CA -0.450 56.128 56.400 0.298 0.000 0.760 341 E CB 0.263 30.121 29.700 0.264 0.000 1.133 341 E HN 0.451 nan 8.360 nan 0.000 0.420 342 W N 5.486 126.744 121.300 -0.069 0.000 2.290 342 W HA 0.443 5.103 4.660 -0.000 0.000 0.408 342 W C -0.880 175.463 176.519 -0.293 0.000 0.966 342 W CA -0.560 56.402 57.345 -0.638 0.000 1.579 342 W CB -0.011 29.048 29.460 -0.668 0.000 1.662 342 W HN 0.439 nan 8.180 nan 0.000 0.341 343 S N 2.797 118.628 115.700 0.218 0.000 2.540 343 S HA 0.396 4.866 4.470 -0.000 0.000 0.275 343 S C 0.396 175.167 174.600 0.284 0.000 1.123 343 S CA -0.413 57.934 58.200 0.244 0.000 0.907 343 S CB 1.664 64.987 63.200 0.205 0.000 1.081 343 S HN 0.139 nan 8.310 nan 0.000 0.476 344 T N 3.262 117.961 114.554 0.242 0.000 3.144 344 T HA 0.206 4.556 4.350 -0.000 0.000 0.249 344 T C 0.400 175.194 174.700 0.158 0.000 1.089 344 T CA 0.229 62.465 62.100 0.226 0.000 0.989 344 T CB -0.155 68.834 68.868 0.203 0.000 0.992 344 T HN 0.381 nan 8.240 nan 0.000 0.540 345 R N 1.062 121.644 120.500 0.136 0.000 2.196 345 R HA 0.338 4.678 4.340 -0.000 0.000 0.340 345 R C 0.966 177.311 176.300 0.075 0.000 1.043 345 R CA -0.311 55.837 56.100 0.080 0.000 0.883 345 R CB 1.069 31.398 30.300 0.048 0.000 1.078 345 R HN 0.025 nan 8.270 nan 0.000 0.462 346 V N 5.575 125.510 119.914 0.035 0.000 2.282 346 V HA -0.211 3.909 4.120 -0.000 0.000 0.249 346 V C -0.938 175.067 176.094 -0.149 0.000 1.057 346 V CA 1.862 64.143 62.300 -0.032 0.000 1.032 346 V CB -0.912 30.849 31.823 -0.104 0.000 0.645 346 V HN 0.656 nan 8.190 nan 0.000 0.447 347 P HA -0.108 nan 4.420 nan 0.000 0.216 347 P C 1.876 179.121 177.300 -0.093 0.000 1.150 347 P CA 1.229 64.238 63.100 -0.153 0.000 0.837 347 P CB -0.069 31.562 31.700 -0.115 0.000 0.786 348 V N -0.766 119.140 119.914 -0.013 0.000 2.427 348 V HA -0.167 3.953 4.120 -0.000 0.000 0.248 348 V C 2.407 178.605 176.094 0.173 0.000 1.051 348 V CA 1.604 63.934 62.300 0.050 0.000 1.048 348 V CB -1.038 30.840 31.823 0.093 0.000 0.666 348 V HN -0.027 nan 8.190 nan 0.000 0.456 349 V N 0.373 120.422 119.914 0.226 0.000 2.379 349 V HA -0.172 3.948 4.120 -0.000 0.000 0.245 349 V C 2.687 178.994 176.094 0.355 0.000 1.044 349 V CA 1.838 64.375 62.300 0.395 0.000 1.036 349 V CB -1.078 31.006 31.823 0.434 0.000 0.664 349 V HN 0.537 nan 8.190 nan 0.000 0.453 350 A N -0.009 122.846 122.820 0.059 0.000 2.019 350 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 350 A C 2.374 179.966 177.584 0.013 0.000 1.164 350 A CA 1.476 53.462 52.037 -0.084 0.000 0.644 350 A CB -0.608 18.023 19.000 -0.615 0.000 0.805 350 A HN 0.375 nan 8.150 nan 0.000 0.449 351 R N -0.831 119.615 120.500 -0.089 0.000 2.139 351 R HA -0.214 4.126 4.340 -0.000 0.000 0.243 351 R C 1.436 177.651 176.300 -0.143 0.000 1.145 351 R CA 1.981 57.941 56.100 -0.232 0.000 0.976 351 R CB -0.414 29.559 30.300 -0.544 0.000 0.866 351 R HN 0.770 nan 8.270 nan 0.000 0.449 352 W N 0.670 122.069 121.300 0.165 0.000 3.003 352 W HA 0.166 4.826 4.660 -0.000 0.000 0.257 352 W C 0.973 177.585 176.519 0.155 0.000 1.308 352 W CA -0.527 56.951 57.345 0.221 0.000 1.529 352 W CB 0.193 29.745 29.460 0.154 0.000 1.115 352 W HN 0.100 nan 8.180 nan 0.000 0.659 353 Q N 2.602 122.586 119.800 0.306 0.000 2.314 353 Q HA 0.100 4.440 4.340 -0.000 0.000 0.258 353 Q C 0.845 176.919 176.000 0.123 0.000 0.954 353 Q CA -0.660 55.261 55.803 0.197 0.000 0.890 353 Q CB 0.689 29.548 28.738 0.201 0.000 1.210 353 Q HN 0.126 nan 8.270 nan 0.000 0.410 354 R N 2.144 122.685 120.500 0.068 0.000 2.583 354 R HA 0.098 4.438 4.340 -0.000 0.000 0.274 354 R C 0.601 176.884 176.300 -0.029 0.000 0.998 354 R CA 0.719 56.805 56.100 -0.023 0.000 1.081 354 R CB -0.155 30.107 30.300 -0.063 0.000 0.940 354 R HN 0.896 nan 8.270 nan 0.000 0.413 355 G N 1.329 110.086 108.800 -0.072 0.000 2.176 355 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.253 355 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.253 355 G C 0.009 174.899 174.900 -0.018 0.000 0.979 355 G CA 0.465 45.535 45.100 -0.050 0.000 0.641 355 G HN 0.727 nan 8.290 nan 0.000 0.530 356 K N 1.432 121.832 120.400 0.001 0.000 2.368 356 K HA 0.642 4.962 4.320 -0.000 0.000 0.282 356 K C 0.550 177.148 176.600 -0.004 0.000 1.035 356 K CA 0.525 56.819 56.287 0.012 0.000 0.973 356 K CB 0.677 33.196 32.500 0.031 0.000 0.957 356 K HN 0.846 nan 8.250 nan 0.000 0.474 357 A N 5.171 127.991 122.820 0.001 0.000 2.415 357 A HA 0.280 4.600 4.320 -0.000 0.000 0.309 357 A C -0.670 176.919 177.584 0.008 0.000 1.356 357 A CA -0.560 51.475 52.037 -0.003 0.000 0.998 357 A CB -0.516 18.486 19.000 0.004 0.000 1.145 357 A HN 0.933 nan 8.150 nan 0.000 0.545 358 N N 0.809 119.503 118.700 -0.009 0.000 2.492 358 N HA 0.427 5.167 4.740 -0.000 0.000 0.289 358 N C 0.801 176.290 175.510 -0.035 0.000 1.133 358 N CA -0.543 52.502 53.050 -0.007 0.000 0.961 358 N CB 0.759 39.218 38.487 -0.047 0.000 1.186 358 N HN 0.668 nan 8.380 nan 0.000 0.493 359 F N 0.676 120.594 119.950 -0.054 0.000 2.269 359 F HA -0.069 4.458 4.527 0.000 0.000 0.301 359 F C 1.211 176.984 175.800 -0.045 0.000 1.082 359 F CA 0.801 58.768 58.000 -0.056 0.000 1.360 359 F CB -0.218 38.733 39.000 -0.083 0.000 1.041 359 F HN 0.414 nan 8.300 nan 0.000 0.512 360 D N -1.002 118.761 120.400 -1.061 0.000 2.363 360 D HA 0.206 4.846 4.640 -0.000 0.000 0.214 360 D C 1.794 177.890 176.300 -0.341 0.000 1.093 360 D CA 0.288 53.797 54.000 -0.819 0.000 0.837 360 D CB -0.227 39.897 40.800 -1.126 0.000 0.948 360 D HN 0.482 nan 8.370 nan 0.000 0.507 361 G N 0.350 109.011 108.800 -0.231 0.000 2.155 361 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.257 361 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.257 361 G C -0.080 174.765 174.900 -0.091 0.000 0.983 361 G CA 0.211 45.238 45.100 -0.122 0.000 0.676 361 G HN 0.511 nan 8.290 nan 0.000 0.528 362 Y N 2.627 122.803 120.300 -0.207 0.000 2.620 362 Y HA 0.419 4.969 4.550 0.000 0.000 0.330 362 Y C 1.079 176.930 175.900 -0.083 0.000 1.186 362 Y CA 0.720 58.732 58.100 -0.146 0.000 1.467 362 Y CB 0.596 38.931 38.460 -0.208 0.000 1.262 362 Y HN 0.475 nan 8.280 nan 0.000 0.550 363 T N 2.251 116.345 114.554 -0.766 0.000 2.908 363 T HA 0.707 5.057 4.350 -0.000 0.000 0.290 363 T C -0.694 173.665 174.700 -0.567 0.000 1.034 363 T CA -0.842 60.971 62.100 -0.478 0.000 1.010 363 T CB 1.694 70.413 68.868 -0.249 0.000 1.068 363 T HN 0.633 nan 8.240 nan 0.000 0.481 364 S N -0.403 115.177 115.700 -0.201 0.000 2.537 364 S HA 0.452 4.922 4.470 -0.000 0.000 0.270 364 S C -1.095 173.509 174.600 0.006 0.000 1.142 364 S CA -0.635 57.587 58.200 0.037 0.000 0.870 364 S CB 1.270 64.640 63.200 0.284 0.000 1.112 364 S HN 0.876 nan 8.310 nan 0.000 0.466 365 H N 1.673 120.785 119.070 0.070 0.000 2.542 365 H HA 0.386 4.942 4.556 -0.000 0.000 0.283 365 H C -0.024 175.346 175.328 0.070 0.000 1.059 365 H CA -0.207 55.869 56.048 0.048 0.000 1.162 365 H CB 0.394 30.166 29.762 0.016 0.000 1.539 365 H HN 0.332 nan 8.280 nan 0.000 0.543 366 L N 2.489 123.834 121.223 0.202 0.000 2.500 366 L HA 0.155 4.495 4.340 -0.000 0.000 0.272 366 L C -1.795 175.111 176.870 0.059 0.000 1.149 366 L CA -1.259 53.664 54.840 0.139 0.000 0.897 366 L CB 1.027 43.156 42.059 0.117 0.000 1.178 366 L HN -0.023 nan 8.230 nan 0.000 0.473 367 P HA 0.003 nan 4.420 nan 0.000 0.222 367 P C -0.320 176.953 177.300 -0.045 0.000 1.153 367 P CA 0.531 63.611 63.100 -0.034 0.000 0.798 367 P CB 0.381 32.023 31.700 -0.096 0.000 0.796 368 S N -1.699 113.972 115.700 -0.048 0.000 2.579 368 S HA 0.699 5.169 4.470 -0.000 0.000 0.272 368 S C -1.762 172.808 174.600 -0.050 0.000 1.141 368 S CA -0.618 57.556 58.200 -0.043 0.000 0.843 368 S CB 0.361 63.548 63.200 -0.022 0.000 1.122 368 S HN -0.208 nan 8.310 nan 0.000 0.468 369 L N 2.250 123.452 121.223 -0.035 0.000 2.359 369 L HA 0.632 4.972 4.340 -0.000 0.000 0.256 369 L C -0.576 176.283 176.870 -0.018 0.000 1.026 369 L CA -0.777 54.051 54.840 -0.020 0.000 0.828 369 L CB 1.716 43.825 42.059 0.083 0.000 1.406 369 L HN 0.550 nan 8.230 nan 0.000 0.413 370 M N 1.326 120.919 119.600 -0.012 0.000 2.217 370 M HA 0.078 4.558 4.480 -0.000 0.000 0.352 370 M C -0.084 176.222 176.300 0.010 0.000 1.376 370 M CA -0.007 55.239 55.300 -0.091 0.000 1.107 370 M CB 0.142 32.498 32.600 -0.407 0.000 1.723 370 M HN 0.427 nan 8.290 nan 0.000 0.461 371 D N 3.285 123.698 120.400 0.023 0.000 2.845 371 D HA 0.096 4.736 4.640 -0.000 0.000 0.235 371 D C 0.819 177.087 176.300 -0.053 0.000 1.158 371 D CA -0.090 53.905 54.000 -0.008 0.000 0.990 371 D CB -0.325 40.412 40.800 -0.105 0.000 1.094 371 D HN 0.348 nan 8.370 nan 0.000 0.486 372 F N 0.860 120.909 119.950 0.165 0.000 2.120 372 F HA -0.105 4.422 4.527 -0.000 0.000 0.300 372 F C -0.480 175.354 175.800 0.056 0.000 1.095 372 F CA 0.913 58.970 58.000 0.095 0.000 1.249 372 F CB -1.433 37.602 39.000 0.058 0.000 0.995 372 F HN 0.326 nan 8.300 nan 0.000 0.480 373 P HA -0.183 nan 4.420 nan 0.000 0.215 373 P C 1.893 179.258 177.300 0.108 0.000 1.153 373 P CA 1.200 64.412 63.100 0.188 0.000 0.853 373 P CB 0.004 31.819 31.700 0.191 0.000 0.788 374 L N -1.026 120.241 121.223 0.074 0.000 2.131 374 L HA -0.047 4.293 4.340 -0.000 0.000 0.206 374 L C 2.139 179.030 176.870 0.034 0.000 1.087 374 L CA 1.482 56.371 54.840 0.081 0.000 0.767 374 L CB -1.046 41.078 42.059 0.109 0.000 0.917 374 L HN -0.213 nan 8.230 nan 0.000 0.441 375 V N -0.231 119.610 119.914 -0.122 0.000 2.295 375 V HA -0.311 3.809 4.120 -0.000 0.000 0.246 375 V C 2.286 178.335 176.094 -0.074 0.000 1.049 375 V CA 2.014 64.178 62.300 -0.227 0.000 1.024 375 V CB -0.708 30.675 31.823 -0.733 0.000 0.648 375 V HN 0.514 nan 8.190 nan 0.000 0.447 376 D N 0.097 120.503 120.400 0.010 0.000 2.117 376 D HA -0.159 4.481 4.640 -0.000 0.000 0.197 376 D C 2.112 178.424 176.300 0.021 0.000 0.987 376 D CA 1.520 55.559 54.000 0.066 0.000 0.829 376 D CB -0.155 40.728 40.800 0.138 0.000 0.961 376 D HN 0.378 nan 8.370 nan 0.000 0.460 377 A N -0.056 122.767 122.820 0.005 0.000 1.877 377 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 377 A C 2.161 179.687 177.584 -0.098 0.000 1.186 377 A CA 2.024 54.040 52.037 -0.035 0.000 0.620 377 A CB -0.771 18.210 19.000 -0.032 0.000 0.822 377 A HN 0.373 nan 8.150 nan 0.000 0.443 378 M N -0.140 119.376 119.600 -0.140 0.000 2.132 378 M HA -0.055 4.425 4.480 -0.000 0.000 0.263 378 M C 2.022 178.247 176.300 -0.125 0.000 1.065 378 M CA 1.484 56.640 55.300 -0.239 0.000 1.122 378 M CB -0.557 31.801 32.600 -0.402 0.000 1.365 378 M HN 0.383 nan 8.290 nan 0.000 0.411 379 R N -0.276 120.187 120.500 -0.062 0.000 2.091 379 R HA -0.143 4.197 4.340 -0.000 0.000 0.238 379 R C 1.911 178.203 176.300 -0.013 0.000 1.136 379 R CA 1.573 57.663 56.100 -0.016 0.000 0.959 379 R CB -0.704 29.606 30.300 0.016 0.000 0.856 379 R HN 0.473 nan 8.270 nan 0.000 0.437 380 N N 0.730 119.419 118.700 -0.018 0.000 2.142 380 N HA -0.120 4.620 4.740 -0.000 0.000 0.186 380 N C 1.683 177.174 175.510 -0.032 0.000 1.023 380 N CA 1.515 54.556 53.050 -0.014 0.000 0.852 380 N CB -0.382 38.098 38.487 -0.012 0.000 0.998 380 N HN 0.206 nan 8.380 nan 0.000 0.424 381 A N 0.962 123.743 122.820 -0.064 0.000 1.933 381 A HA -0.048 4.272 4.320 -0.000 0.000 0.218 381 A C 2.242 179.798 177.584 -0.048 0.000 1.175 381 A CA 1.015 53.006 52.037 -0.076 0.000 0.628 381 A CB -0.611 18.308 19.000 -0.135 0.000 0.814 381 A HN 0.245 nan 8.150 nan 0.000 0.444 382 L N 0.009 121.207 121.223 -0.041 0.000 2.446 382 L HA -0.036 4.304 4.340 -0.000 0.000 0.219 382 L C 2.618 179.490 176.870 0.004 0.000 1.116 382 L CA 1.085 55.918 54.840 -0.012 0.000 0.844 382 L CB -0.112 41.946 42.059 -0.002 0.000 0.970 382 L HN 0.589 nan 8.230 nan 0.000 0.457 383 S N -1.196 114.504 115.700 -0.000 0.000 2.468 383 S HA 0.012 4.482 4.470 -0.000 0.000 0.226 383 S C 1.185 175.787 174.600 0.003 0.000 1.051 383 S CA -0.166 58.036 58.200 0.004 0.000 0.943 383 S CB -0.097 63.109 63.200 0.009 0.000 0.810 383 S HN 0.203 nan 8.310 nan 0.000 0.509 384 K N 3.306 123.705 120.400 -0.001 0.000 2.480 384 K HA 0.152 4.472 4.320 -0.000 0.000 0.241 384 K C 0.899 177.498 176.600 -0.001 0.000 1.261 384 K CA 0.371 56.658 56.287 -0.001 0.000 1.193 384 K CB -0.132 32.367 32.500 -0.003 0.000 1.598 384 K HN 0.601 nan 8.250 nan 0.000 0.278 385 T N -3.119 111.438 114.554 0.003 0.000 3.072 385 T HA -0.063 4.287 4.350 -0.000 0.000 0.266 385 T C 1.824 176.528 174.700 0.007 0.000 1.127 385 T CA 0.836 62.940 62.100 0.007 0.000 1.107 385 T CB 0.113 68.988 68.868 0.012 0.000 0.910 385 T HN 0.401 nan 8.240 nan 0.000 0.513 386 G N 0.817 109.621 108.800 0.006 0.000 2.650 386 G HA2 0.059 4.019 3.960 -0.000 0.000 0.214 386 G HA3 0.059 4.019 3.960 -0.000 0.000 0.214 386 G C 0.544 175.447 174.900 0.004 0.000 1.136 386 G CA -0.275 44.829 45.100 0.006 0.000 0.789 386 G HN 0.431 nan 8.290 nan 0.000 0.536 387 E N 0.366 120.567 120.200 0.001 0.000 2.373 387 E HA 0.046 4.396 4.350 -0.000 0.000 0.267 387 E C 0.815 177.414 176.600 -0.002 0.000 1.032 387 E CA -0.182 56.217 56.400 -0.002 0.000 0.889 387 E CB 1.536 31.230 29.700 -0.009 0.000 0.984 387 E HN 0.433 nan 8.360 nan 0.000 0.425 388 E N 2.149 122.348 120.200 -0.001 0.000 2.106 388 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 388 E C 0.395 176.993 176.600 -0.003 0.000 0.984 388 E CA 0.854 57.255 56.400 0.001 0.000 0.806 388 E CB 0.274 29.976 29.700 0.003 0.000 0.750 388 E HN 0.252 nan 8.360 nan 0.000 0.458 389 N N -1.054 117.639 118.700 -0.012 0.000 2.622 389 N HA 0.145 4.885 4.740 -0.000 0.000 0.293 389 N C 0.355 175.836 175.510 -0.048 0.000 1.788 389 N CA 0.456 53.491 53.050 -0.026 0.000 0.860 389 N CB 0.671 39.144 38.487 -0.023 0.000 1.388 389 N HN 0.135 nan 8.380 nan 0.000 0.496 390 G N 0.093 108.866 108.800 -0.045 0.000 2.475 390 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.220 390 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.220 390 G C 1.264 176.098 174.900 -0.110 0.000 1.125 390 G CA 0.649 45.712 45.100 -0.060 0.000 0.755 390 G HN 0.446 nan 8.290 nan 0.000 0.565 391 L N 0.253 121.392 121.223 -0.141 0.000 2.353 391 L HA -0.058 4.282 4.340 -0.000 0.000 0.220 391 L C 2.554 179.210 176.870 -0.357 0.000 1.133 391 L CA 0.654 55.330 54.840 -0.273 0.000 0.798 391 L CB -0.314 41.598 42.059 -0.246 0.000 0.922 391 L HN 0.228 nan 8.230 nan 0.000 0.445 392 N N 0.495 119.070 118.700 -0.207 0.000 2.205 392 N HA -0.273 4.467 4.740 -0.000 0.000 0.186 392 N C 1.787 177.254 175.510 -0.072 0.000 1.015 392 N CA 1.305 54.286 53.050 -0.115 0.000 0.862 392 N CB 0.071 38.539 38.487 -0.032 0.000 0.986 392 N HN 0.352 nan 8.380 nan 0.000 0.429 393 E N -0.672 119.465 120.200 -0.104 0.000 2.110 393 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 393 E C 1.573 178.106 176.600 -0.112 0.000 0.988 393 E CA 0.993 57.344 56.400 -0.082 0.000 0.804 393 E CB 0.109 29.769 29.700 -0.067 0.000 0.745 393 E HN 0.194 nan 8.360 nan 0.000 0.458 394 V N 0.563 120.346 119.914 -0.219 0.000 2.323 394 V HA -0.236 3.884 4.120 -0.000 0.000 0.244 394 V C 2.125 178.116 176.094 -0.172 0.000 1.041 394 V CA 1.955 64.108 62.300 -0.244 0.000 1.025 394 V CB -0.842 30.681 31.823 -0.500 0.000 0.656 394 V HN 0.431 nan 8.190 nan 0.000 0.451 395 Y N 1.570 121.568 120.300 -0.504 0.000 2.097 395 Y HA -0.259 4.290 4.550 0.000 0.000 0.282 395 Y C 2.514 178.381 175.900 -0.056 0.000 1.152 395 Y CA 2.186 60.085 58.100 -0.335 0.000 1.136 395 Y CB -0.408 37.730 38.460 -0.536 0.000 0.975 395 Y HN 0.341 nan 8.280 nan 0.000 0.498 396 E N -0.647 119.407 120.200 -0.245 0.000 2.077 396 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 396 E C 2.097 178.632 176.600 -0.109 0.000 0.989 396 E CA 1.810 58.055 56.400 -0.259 0.000 0.800 396 E CB -0.249 29.385 29.700 -0.109 0.000 0.746 396 E HN 0.509 nan 8.360 nan 0.000 0.452 397 T N 1.675 116.206 114.554 -0.039 0.000 2.708 397 T HA -0.150 4.200 4.350 -0.000 0.000 0.266 397 T C 1.808 176.545 174.700 0.061 0.000 1.037 397 T CA 0.773 62.884 62.100 0.018 0.000 1.146 397 T CB -0.227 68.666 68.868 0.042 0.000 0.865 397 T HN 0.020 nan 8.240 nan 0.000 0.435 398 L N 1.996 123.288 121.223 0.115 0.000 2.131 398 L HA -0.038 4.302 4.340 -0.000 0.000 0.210 398 L C 2.547 179.502 176.870 0.142 0.000 1.092 398 L CA 1.769 56.716 54.840 0.178 0.000 0.759 398 L CB -0.908 41.353 42.059 0.337 0.000 0.903 398 L HN 0.346 nan 8.230 nan 0.000 0.435 399 S N -1.417 114.349 115.700 0.109 0.000 2.469 399 S HA -0.126 4.344 4.470 -0.000 0.000 0.238 399 S C 1.693 176.377 174.600 0.140 0.000 0.998 399 S CA 0.899 59.159 58.200 0.100 0.000 0.957 399 S CB -0.730 62.435 63.200 -0.057 0.000 0.764 399 S HN 0.515 nan 8.310 nan 0.000 0.514 400 L N 1.007 122.242 121.223 0.020 0.000 2.612 400 L HA 0.195 4.535 4.340 -0.000 0.000 0.230 400 L C 1.405 178.074 176.870 -0.334 0.000 1.140 400 L CA 0.059 54.763 54.840 -0.228 0.000 0.896 400 L CB -0.438 41.501 42.059 -0.200 0.000 1.065 400 L HN 0.138 nan 8.230 nan 0.000 0.447 401 D N 0.395 120.784 120.400 -0.019 0.000 2.265 401 D HA -0.226 4.414 4.640 -0.000 0.000 0.208 401 D C 1.918 178.257 176.300 0.066 0.000 0.977 401 D CA 1.215 55.289 54.000 0.123 0.000 0.871 401 D CB -0.038 40.834 40.800 0.120 0.000 0.925 401 D HN 0.574 nan 8.370 nan 0.000 0.485 402 Y N -0.598 119.744 120.300 0.070 0.000 2.483 402 Y HA -0.010 4.540 4.550 -0.000 0.000 0.291 402 Y C 1.782 177.686 175.900 0.007 0.000 1.143 402 Y CA 0.480 58.603 58.100 0.038 0.000 1.289 402 Y CB -0.820 37.648 38.460 0.014 0.000 0.983 402 Y HN -0.042 nan 8.280 nan 0.000 0.556 403 L N -0.807 120.042 121.223 -0.622 0.000 2.291 403 L HA -0.062 4.278 4.340 -0.000 0.000 0.214 403 L C 0.030 176.707 176.870 -0.323 0.000 1.120 403 L CA 0.330 54.880 54.840 -0.483 0.000 0.799 403 L CB -0.369 41.285 42.059 -0.676 0.000 0.925 403 L HN 0.186 nan 8.230 nan 0.000 0.446 404 Y N -0.492 119.754 120.300 -0.090 0.000 2.313 404 Y HA 0.195 4.745 4.550 -0.000 0.000 0.332 404 Y C -1.338 174.558 175.900 -0.007 0.000 1.071 404 Y CA -2.401 55.680 58.100 -0.031 0.000 1.169 404 Y CB 0.240 38.684 38.460 -0.027 0.000 1.192 404 Y HN -0.175 nan 8.280 nan 0.000 0.487 405 P HA -0.144 nan 4.420 nan 0.000 0.216 405 P C -0.547 176.799 177.300 0.078 0.000 1.150 405 P CA 1.577 64.733 63.100 0.093 0.000 0.837 405 P CB 0.373 32.110 31.700 0.062 0.000 0.786 406 E N -1.854 118.395 120.200 0.081 0.000 3.352 406 E HA 0.115 4.465 4.350 -0.000 0.000 0.254 406 E C -2.007 174.570 176.600 -0.038 0.000 1.229 406 E CA -1.359 55.050 56.400 0.015 0.000 0.949 406 E CB 0.970 30.664 29.700 -0.011 0.000 1.373 406 E HN 0.201 nan 8.360 nan 0.000 0.392 407 P HA -0.257 nan 4.420 nan 0.000 0.218 407 P C 1.470 178.668 177.300 -0.170 0.000 1.149 407 P CA 1.130 64.119 63.100 -0.184 0.000 0.817 407 P CB 0.255 31.917 31.700 -0.063 0.000 0.785 408 Q N 0.020 119.760 119.800 -0.099 0.000 2.364 408 Q HA -0.158 4.182 4.340 -0.000 0.000 0.209 408 Q C 1.167 177.114 176.000 -0.087 0.000 0.977 408 Q CA 1.554 57.304 55.803 -0.089 0.000 0.885 408 Q CB -1.349 27.350 28.738 -0.065 0.000 0.941 408 Q HN 0.202 nan 8.270 nan 0.000 0.464 409 N N -0.104 118.539 118.700 -0.095 0.000 2.280 409 N HA 0.206 4.946 4.740 -0.000 0.000 0.192 409 N C -0.145 175.317 175.510 -0.079 0.000 1.109 409 N CA -0.089 52.912 53.050 -0.082 0.000 0.855 409 N CB 0.260 38.696 38.487 -0.084 0.000 0.974 409 N HN 0.156 nan 8.380 nan 0.000 0.482 410 L N 0.516 121.658 121.223 -0.135 0.000 2.452 410 L HA 0.212 4.552 4.340 -0.000 0.000 0.267 410 L C 0.022 176.852 176.870 -0.067 0.000 1.188 410 L CA -0.589 54.163 54.840 -0.146 0.000 0.821 410 L CB 1.000 42.875 42.059 -0.307 0.000 1.102 410 L HN -0.206 nan 8.230 nan 0.000 0.470 411 V N 3.859 123.760 119.914 -0.023 0.000 2.385 411 V HA 0.193 4.313 4.120 -0.000 0.000 0.269 411 V C 0.043 176.169 176.094 0.053 0.000 1.043 411 V CA -0.368 61.950 62.300 0.030 0.000 0.906 411 V CB 1.294 33.132 31.823 0.026 0.000 0.995 411 V HN 0.364 nan 8.190 nan 0.000 0.467 412 L N 7.679 128.909 121.223 0.011 0.000 2.307 412 L HA 0.759 5.099 4.340 -0.000 0.000 0.282 412 L C -0.599 176.290 176.870 0.031 0.000 1.051 412 L CA 0.033 54.824 54.840 -0.082 0.000 0.804 412 L CB 1.082 43.039 42.059 -0.170 0.000 1.197 412 L HN 0.566 nan 8.230 nan 0.000 0.431 413 F N 1.297 121.202 119.950 -0.074 0.000 2.588 413 F HA 0.728 5.255 4.527 -0.000 0.000 0.314 413 F C 0.882 176.679 175.800 -0.005 0.000 1.069 413 F CA -0.602 57.377 58.000 -0.035 0.000 0.931 413 F CB 1.222 40.161 39.000 -0.102 0.000 1.260 413 F HN 0.447 nan 8.300 nan 0.000 0.465 414 G N -0.035 108.863 108.800 0.164 0.000 2.448 414 G HA2 0.424 4.384 3.960 -0.000 0.000 0.218 414 G HA3 0.424 4.384 3.960 -0.000 0.000 0.218 414 G C 0.356 175.312 174.900 0.093 0.000 1.135 414 G CA 0.427 45.567 45.100 0.067 0.000 0.784 414 G HN 1.317 nan 8.290 nan 0.000 0.543 415 G N -0.745 108.183 108.800 0.213 0.000 2.321 415 G HA2 0.475 4.435 3.960 -0.000 0.000 0.296 415 G HA3 0.475 4.435 3.960 -0.000 0.000 0.296 415 G C -1.636 173.240 174.900 -0.040 0.000 1.287 415 G CA -0.070 45.135 45.100 0.177 0.000 0.846 415 G HN 0.871 nan 8.290 nan 0.000 0.508 416 N N -3.280 115.183 118.700 -0.396 0.000 3.387 416 N HA 0.260 5.000 4.740 -0.000 0.000 0.294 416 N C 0.557 175.407 175.510 -1.099 0.000 1.519 416 N CA -0.007 52.530 53.050 -0.855 0.000 0.875 416 N CB 0.165 38.336 38.487 -0.527 0.000 1.657 416 N HN 0.731 nan 8.380 nan 0.000 0.527 417 H N -1.822 116.633 119.070 -1.025 0.000 2.556 417 H HA 0.217 4.773 4.556 -0.000 0.000 0.268 417 H C -0.718 174.604 175.328 -0.011 0.000 0.996 417 H CA 0.708 56.479 56.048 -0.462 0.000 1.157 417 H CB -0.209 29.453 29.762 -0.167 0.000 1.355 417 H HN 0.538 nan 8.280 nan 0.000 0.597 418 D N 0.683 120.799 120.400 -0.473 0.000 2.398 418 D HA 0.136 4.776 4.640 -0.000 0.000 0.210 418 D C 1.055 177.340 176.300 -0.025 0.000 1.094 418 D CA 0.137 54.073 54.000 -0.106 0.000 0.839 418 D CB 0.823 41.623 40.800 -0.000 0.000 0.963 418 D HN 0.564 nan 8.370 nan 0.000 0.506 419 M N -1.643 117.663 119.600 -0.490 0.000 2.664 419 M HA 0.716 5.196 4.480 -0.000 0.000 0.279 419 M C -0.968 174.676 176.300 -1.093 0.000 1.275 419 M CA -1.180 53.765 55.300 -0.591 0.000 0.829 419 M CB 2.128 34.684 32.600 -0.073 0.000 1.727 419 M HN -0.254 nan 8.290 nan 0.000 0.459 420 A N 1.806 124.239 122.820 -0.644 0.000 2.561 420 A HA 0.262 4.582 4.320 -0.000 0.000 0.234 420 A C 0.195 177.724 177.584 -0.093 0.000 1.055 420 A CA -0.106 51.763 52.037 -0.280 0.000 0.756 420 A CB 0.058 19.059 19.000 0.002 0.000 0.986 420 A HN 0.762 nan 8.150 nan 0.000 0.505 421 R N 2.145 122.703 120.500 0.097 0.000 2.583 421 R HA -0.068 4.272 4.340 -0.000 0.000 0.274 421 R C 1.469 177.889 176.300 0.201 0.000 0.998 421 R CA 0.392 56.610 56.100 0.196 0.000 1.081 421 R CB -0.154 30.299 30.300 0.255 0.000 0.940 421 R HN 1.003 nan 8.270 nan 0.000 0.413 422 M N 2.828 122.572 119.600 0.240 0.000 2.089 422 M HA -0.284 4.196 4.480 -0.000 0.000 0.257 422 M C 1.542 178.109 176.300 0.444 0.000 1.071 422 M CA 2.071 57.555 55.300 0.306 0.000 1.096 422 M CB -0.183 32.623 32.600 0.343 0.000 1.330 422 M HN 0.579 nan 8.290 nan 0.000 0.403 423 F N 0.381 120.497 119.950 0.278 0.000 2.186 423 F HA -0.118 4.408 4.527 -0.000 0.000 0.299 423 F C 2.314 178.202 175.800 0.145 0.000 1.090 423 F CA 1.783 59.894 58.000 0.185 0.000 1.307 423 F CB -0.630 38.344 39.000 -0.043 0.000 1.019 423 F HN 0.146 nan 8.300 nan 0.000 0.489 424 S N 0.392 116.149 115.700 0.096 0.000 2.368 424 S HA -0.134 4.336 4.470 -0.000 0.000 0.225 424 S C 2.329 176.928 174.600 -0.001 0.000 1.030 424 S CA 1.024 59.218 58.200 -0.010 0.000 0.999 424 S CB -0.856 62.398 63.200 0.090 0.000 0.844 424 S HN 0.484 nan 8.310 nan 0.000 0.459 425 A N 1.088 123.950 122.820 0.069 0.000 2.019 425 A HA 0.187 4.507 4.320 -0.000 0.000 0.219 425 A C 1.976 179.587 177.584 0.045 0.000 1.164 425 A CA 1.455 53.529 52.037 0.062 0.000 0.644 425 A CB -0.588 18.462 19.000 0.083 0.000 0.805 425 A HN 0.501 nan 8.150 nan 0.000 0.449 426 A N -1.507 121.345 122.820 0.054 0.000 2.337 426 A HA 0.447 4.767 4.320 -0.000 0.000 0.227 426 A C 1.569 179.118 177.584 -0.058 0.000 1.259 426 A CA 0.910 52.975 52.037 0.048 0.000 0.870 426 A CB -1.093 18.023 19.000 0.193 0.000 0.927 426 A HN 1.822 nan 8.150 nan 0.000 0.497 427 G N -0.222 108.510 108.800 -0.114 0.000 2.198 427 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.260 427 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.260 427 G C 0.094 174.828 174.900 -0.277 0.000 1.025 427 G CA 0.434 45.450 45.100 -0.139 0.000 0.769 427 G HN 0.815 nan 8.290 nan 0.000 0.507 428 E N -1.045 118.770 120.200 -0.642 0.000 2.539 428 E HA -0.230 4.120 4.350 -0.000 0.000 0.253 428 E C 0.005 176.280 176.600 -0.541 0.000 1.145 428 E CA 1.082 56.739 56.400 -1.238 0.000 0.738 428 E CB -0.613 28.732 29.700 -0.591 0.000 1.308 428 E HN 0.621 nan 8.360 nan 0.000 0.409 429 D N -0.355 119.905 120.400 -0.234 0.000 2.412 429 D HA 0.103 4.743 4.640 -0.000 0.000 0.224 429 D C 0.304 176.826 176.300 0.369 0.000 1.093 429 D CA -0.405 53.658 54.000 0.106 0.000 0.850 429 D CB 0.333 41.176 40.800 0.070 0.000 1.046 429 D HN 0.003 nan 8.370 nan 0.000 0.507 430 F N 3.674 123.849 119.950 0.375 0.000 2.134 430 F HA -0.169 4.358 4.527 -0.000 0.000 0.299 430 F C 1.594 177.639 175.800 0.408 0.000 1.097 430 F CA 1.381 59.652 58.000 0.452 0.000 1.264 430 F CB 0.339 39.490 39.000 0.250 0.000 1.001 430 F HN 0.338 nan 8.300 nan 0.000 0.479 431 D N 0.024 120.621 120.400 0.329 0.000 2.117 431 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 431 D C 2.387 178.759 176.300 0.120 0.000 0.987 431 D CA 1.231 55.339 54.000 0.181 0.000 0.829 431 D CB -0.316 40.591 40.800 0.178 0.000 0.961 431 D HN 0.367 nan 8.370 nan 0.000 0.460 432 R N -0.470 120.123 120.500 0.155 0.000 2.090 432 R HA -0.101 4.239 4.340 -0.000 0.000 0.228 432 R C 2.202 178.590 176.300 0.146 0.000 1.110 432 R CA 0.742 56.914 56.100 0.120 0.000 0.973 432 R CB -0.356 30.005 30.300 0.101 0.000 0.869 432 R HN 0.264 nan 8.270 nan 0.000 0.440 433 W N 2.223 123.542 121.300 0.032 0.000 2.338 433 W HA -0.191 4.468 4.660 -0.000 0.000 0.304 433 W C 1.900 178.397 176.519 -0.037 0.000 1.212 433 W CA 1.410 58.789 57.345 0.056 0.000 1.264 433 W CB -0.041 29.539 29.460 0.200 0.000 1.142 433 W HN -0.112 nan 8.180 nan 0.000 0.512 434 R N -0.425 120.044 120.500 -0.053 0.000 2.091 434 R HA -0.216 4.124 4.340 -0.000 0.000 0.238 434 R C 2.315 178.501 176.300 -0.190 0.000 1.136 434 R CA 2.301 58.251 56.100 -0.249 0.000 0.959 434 R CB -0.717 29.491 30.300 -0.154 0.000 0.856 434 R HN 0.318 nan 8.270 nan 0.000 0.437 435 M N -0.126 119.429 119.600 -0.075 0.000 2.108 435 M HA -0.202 4.278 4.480 -0.000 0.000 0.261 435 M C 2.071 178.379 176.300 0.013 0.000 1.066 435 M CA 1.665 56.961 55.300 -0.006 0.000 1.107 435 M CB -0.521 32.097 32.600 0.030 0.000 1.356 435 M HN 0.268 nan 8.290 nan 0.000 0.406 436 N N 0.459 119.121 118.700 -0.063 0.000 2.149 436 N HA -0.192 4.548 4.740 -0.000 0.000 0.188 436 N C 1.681 177.175 175.510 -0.027 0.000 1.019 436 N CA 0.803 53.837 53.050 -0.027 0.000 0.857 436 N CB 0.108 38.534 38.487 -0.102 0.000 0.997 436 N HN 0.128 nan 8.380 nan 0.000 0.426 437 L N 0.532 121.582 121.223 -0.288 0.000 2.072 437 L HA -0.038 4.302 4.340 -0.000 0.000 0.205 437 L C 2.032 178.885 176.870 -0.028 0.000 1.079 437 L CA 1.177 55.868 54.840 -0.247 0.000 0.752 437 L CB -0.535 41.158 42.059 -0.610 0.000 0.906 437 L HN -0.008 nan 8.230 nan 0.000 0.436 438 V N -0.382 119.523 119.914 -0.014 0.000 2.287 438 V HA -0.324 3.796 4.120 -0.000 0.000 0.248 438 V C 2.349 178.568 176.094 0.209 0.000 1.053 438 V CA 2.182 64.528 62.300 0.077 0.000 1.027 438 V CB -0.905 30.938 31.823 0.034 0.000 0.646 438 V HN 0.545 nan 8.190 nan 0.000 0.447 439 F N 0.580 120.590 119.950 0.099 0.000 2.095 439 F HA -0.231 4.296 4.527 0.000 0.000 0.298 439 F C 2.099 177.969 175.800 0.117 0.000 1.104 439 F CA 2.057 60.161 58.000 0.174 0.000 1.232 439 F CB -0.498 38.603 39.000 0.170 0.000 0.987 439 F HN 0.138 nan 8.300 nan 0.000 0.475 440 L N 0.242 121.516 121.223 0.085 0.000 2.042 440 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 440 L C 1.962 178.821 176.870 -0.019 0.000 1.076 440 L CA 1.891 56.712 54.840 -0.031 0.000 0.749 440 L CB -0.707 41.424 42.059 0.121 0.000 0.893 440 L HN 0.193 nan 8.230 nan 0.000 0.432 441 M N -1.232 118.409 119.600 0.069 0.000 2.561 441 M HA 0.084 4.564 4.480 -0.000 0.000 0.238 441 M C 1.530 177.901 176.300 0.120 0.000 1.131 441 M CA 1.165 56.531 55.300 0.110 0.000 1.046 441 M CB -1.119 31.587 32.600 0.177 0.000 1.532 441 M HN 0.590 nan 8.290 nan 0.000 0.497 442 T N -4.369 110.238 114.554 0.088 0.000 2.975 442 T HA 0.265 4.615 4.350 -0.000 0.000 0.261 442 T C 0.886 175.598 174.700 0.020 0.000 0.984 442 T CA -0.265 61.909 62.100 0.123 0.000 0.911 442 T CB 0.620 69.648 68.868 0.266 0.000 1.127 442 T HN -0.055 nan 8.240 nan 0.000 0.514 443 M N 3.231 122.734 119.600 -0.162 0.000 2.232 443 M HA 0.266 4.746 4.480 -0.000 0.000 0.321 443 M C -2.258 173.942 176.300 -0.167 0.000 1.101 443 M CA -2.256 52.871 55.300 -0.287 0.000 1.181 443 M CB 0.014 32.285 32.600 -0.549 0.000 1.432 443 M HN -0.022 nan 8.290 nan 0.000 0.457 444 P HA 0.216 nan 4.420 nan 0.000 0.237 444 P C -0.667 176.563 177.300 -0.118 0.000 1.788 444 P CA 0.179 63.213 63.100 -0.110 0.000 1.061 444 P CB 0.155 31.792 31.700 -0.104 0.000 1.967 445 R N 1.295 121.730 120.500 -0.107 0.000 2.766 445 R HA 0.528 4.868 4.340 -0.000 0.000 0.270 445 R C -0.158 176.111 176.300 -0.051 0.000 1.035 445 R CA -1.149 54.891 56.100 -0.101 0.000 0.911 445 R CB 1.153 31.368 30.300 -0.141 0.000 1.243 445 R HN 0.198 nan 8.270 nan 0.000 0.460 446 I N 4.100 124.659 120.570 -0.020 0.000 2.301 446 I HA 0.231 4.401 4.170 -0.000 0.000 0.292 446 I C -1.914 174.233 176.117 0.051 0.000 1.046 446 I CA -1.805 59.515 61.300 0.033 0.000 1.282 446 I CB 1.425 39.489 38.000 0.106 0.000 1.409 446 I HN 0.057 nan 8.210 nan 0.000 0.484 447 P HA 0.122 nan 4.420 nan 0.000 0.284 447 P C -1.267 176.164 177.300 0.219 0.000 1.253 447 P CA -0.420 62.757 63.100 0.129 0.000 0.800 447 P CB 1.556 33.339 31.700 0.138 0.000 0.961 448 Q N 3.069 123.029 119.800 0.267 0.000 2.375 448 Q HA 0.482 4.822 4.340 -0.000 0.000 0.271 448 Q C -2.233 173.999 176.000 0.387 0.000 1.074 448 Q CA -0.730 55.257 55.803 0.306 0.000 0.808 448 Q CB 1.938 30.822 28.738 0.242 0.000 1.327 448 Q HN 0.430 nan 8.270 nan 0.000 0.441 449 F N 3.160 123.200 119.950 0.151 0.000 2.565 449 F HA 0.445 4.972 4.527 -0.000 0.000 0.313 449 F C -1.803 173.954 175.800 -0.073 0.000 1.091 449 F CA -0.794 57.278 58.000 0.119 0.000 0.915 449 F CB 1.483 40.604 39.000 0.202 0.000 1.208 449 F HN 0.567 nan 8.300 nan 0.000 0.453 450 Y N 4.496 124.446 120.300 -0.584 0.000 2.335 450 Y HA 0.374 4.924 4.550 -0.000 0.000 0.339 450 Y C 0.164 175.807 175.900 -0.428 0.000 0.987 450 Y CA -1.033 56.780 58.100 -0.478 0.000 1.140 450 Y CB 0.981 39.249 38.460 -0.319 0.000 1.173 450 Y HN 0.591 nan 8.280 nan 0.000 0.486 451 S N 4.401 119.576 115.700 -0.874 0.000 2.626 451 S HA 0.306 4.776 4.470 -0.000 0.000 0.303 451 S C 1.216 175.650 174.600 -0.275 0.000 1.256 451 S CA 1.545 59.357 58.200 -0.646 0.000 1.069 451 S CB -0.609 62.172 63.200 -0.698 0.000 0.807 451 S HN 1.604 nan 8.310 nan 0.000 0.500 452 G N 4.778 113.764 108.800 0.310 0.000 2.279 452 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.223 452 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.223 452 G C 0.548 175.557 174.900 0.183 0.000 1.015 452 G CA 0.439 45.688 45.100 0.247 0.000 0.621 452 G HN 0.670 nan 8.290 nan 0.000 0.506 453 D N 1.471 121.964 120.400 0.155 0.000 2.264 453 D HA -0.013 4.627 4.640 -0.000 0.000 0.208 453 D C 2.427 179.083 176.300 0.594 0.000 0.966 453 D CA 1.306 55.441 54.000 0.224 0.000 0.864 453 D CB -0.099 40.593 40.800 -0.179 0.000 0.933 453 D HN 0.768 nan 8.370 nan 0.000 0.499 454 E N 1.073 121.757 120.200 0.807 0.000 2.427 454 E HA -0.118 4.232 4.350 -0.000 0.000 0.196 454 E C 1.537 178.337 176.600 0.335 0.000 1.028 454 E CA 0.509 57.328 56.400 0.699 0.000 0.864 454 E CB -0.154 29.904 29.700 0.598 0.000 0.813 454 E HN 0.370 nan 8.360 nan 0.000 0.514 455 I N -1.310 119.371 120.570 0.185 0.000 3.856 455 I HA 0.266 4.436 4.170 -0.000 0.000 0.330 455 I C 0.297 176.306 176.117 -0.181 0.000 1.546 455 I CA -0.718 60.560 61.300 -0.037 0.000 1.132 455 I CB -0.518 37.428 38.000 -0.089 0.000 1.157 455 I HN -0.067 nan 8.210 nan 0.000 0.440 456 L N -0.082 121.011 121.223 -0.218 0.000 3.717 456 L HA -0.207 4.133 4.340 -0.000 0.000 0.411 456 L C 0.393 177.191 176.870 -0.120 0.000 1.233 456 L CA 0.429 55.008 54.840 -0.435 0.000 0.917 456 L CB -1.914 39.454 42.059 -1.153 0.000 1.902 456 L HN 0.441 nan 8.230 nan 0.000 0.894 457 M N 0.463 120.059 119.600 -0.008 0.000 2.245 457 M HA 0.134 4.614 4.480 -0.000 0.000 0.335 457 M C 1.144 177.544 176.300 0.166 0.000 1.155 457 M CA 1.403 56.736 55.300 0.055 0.000 1.055 457 M CB 0.413 33.035 32.600 0.037 0.000 1.670 457 M HN 0.386 nan 8.290 nan 0.000 0.447 458 T N -0.332 114.321 114.554 0.164 0.000 2.949 458 T HA 0.836 5.186 4.350 -0.000 0.000 0.287 458 T C -0.242 174.568 174.700 0.184 0.000 1.034 458 T CA -0.708 61.512 62.100 0.200 0.000 1.018 458 T CB 1.853 70.829 68.868 0.179 0.000 1.135 458 T HN 0.811 nan 8.240 nan 0.000 0.532 459 S N -0.290 115.528 115.700 0.196 0.000 2.656 459 S HA 0.661 5.131 4.470 -0.000 0.000 0.273 459 S C -0.102 174.610 174.600 0.186 0.000 1.168 459 S CA -0.539 57.795 58.200 0.224 0.000 0.817 459 S CB 0.707 64.151 63.200 0.406 0.000 1.146 459 S HN 1.356 nan 8.310 nan 0.000 0.475 460 T N -0.552 114.109 114.554 0.178 0.000 2.903 460 T HA 0.385 4.735 4.350 -0.000 0.000 0.314 460 T C 1.448 176.274 174.700 0.210 0.000 1.078 460 T CA 0.082 62.274 62.100 0.153 0.000 1.114 460 T CB 0.413 69.347 68.868 0.110 0.000 0.987 460 T HN 1.608 nan 8.240 nan 0.000 0.548 461 V N -1.696 118.304 119.914 0.143 0.000 3.212 461 V HA 0.357 4.477 4.120 -0.000 0.000 0.244 461 V C 1.012 177.181 176.094 0.125 0.000 1.151 461 V CA -0.002 62.378 62.300 0.133 0.000 1.119 461 V CB -0.634 31.239 31.823 0.082 0.000 0.838 461 V HN 0.716 nan 8.190 nan 0.000 0.470 462 K N 1.785 122.245 120.400 0.101 0.000 2.326 462 K HA 0.420 4.740 4.320 -0.000 0.000 0.275 462 K C 1.101 177.759 176.600 0.097 0.000 1.018 462 K CA 1.136 57.472 56.287 0.081 0.000 0.962 462 K CB 0.735 33.269 32.500 0.056 0.000 0.953 462 K HN 0.649 nan 8.250 nan 0.000 0.475 463 G N 2.661 111.509 108.800 0.080 0.000 2.596 463 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.295 463 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.295 463 G C -0.457 174.514 174.900 0.117 0.000 1.240 463 G CA 0.498 45.639 45.100 0.068 0.000 0.985 463 G HN 0.636 nan 8.290 nan 0.000 0.555 464 R N 0.397 120.950 120.500 0.089 0.000 2.502 464 R HA 0.594 4.934 4.340 -0.000 0.000 0.300 464 R C -1.638 174.676 176.300 0.023 0.000 0.984 464 R CA 0.078 56.248 56.100 0.117 0.000 0.882 464 R CB 1.624 31.946 30.300 0.036 0.000 1.180 464 R HN 0.632 nan 8.270 nan 0.000 0.444 465 D N 3.315 123.657 120.400 -0.097 0.000 2.668 465 D HA 0.162 4.801 4.640 -0.000 0.000 0.247 465 D C -0.443 175.400 176.300 -0.762 0.000 1.268 465 D CA -0.285 53.530 54.000 -0.308 0.000 0.842 465 D CB 0.769 41.449 40.800 -0.199 0.000 1.399 465 D HN 0.552 nan 8.370 nan 0.000 0.530 466 D N 1.146 121.295 120.400 -0.419 0.000 2.133 466 D HA -0.159 4.481 4.640 -0.000 0.000 0.195 466 D C 1.974 178.139 176.300 -0.226 0.000 0.997 466 D CA 1.464 55.283 54.000 -0.302 0.000 0.840 466 D CB 0.024 40.823 40.800 -0.001 0.000 0.947 466 D HN 0.518 nan 8.370 nan 0.000 0.452 467 A N 0.887 123.632 122.820 -0.125 0.000 1.940 467 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 467 A C 2.300 179.842 177.584 -0.070 0.000 1.176 467 A CA 2.440 54.454 52.037 -0.038 0.000 0.631 467 A CB -0.713 18.280 19.000 -0.012 0.000 0.814 467 A HN 0.338 nan 8.150 nan 0.000 0.446 468 S N -1.210 114.363 115.700 -0.211 0.000 2.447 468 S HA -0.142 4.328 4.470 -0.000 0.000 0.233 468 S C 1.511 176.170 174.600 0.098 0.000 1.006 468 S CA 1.279 59.423 58.200 -0.094 0.000 0.957 468 S CB -0.677 62.463 63.200 -0.100 0.000 0.773 468 S HN 0.582 nan 8.310 nan 0.000 0.507 469 Y N 1.320 121.720 120.300 0.167 0.000 2.490 469 Y HA 0.444 4.994 4.550 -0.000 0.000 0.281 469 Y C 1.647 177.739 175.900 0.320 0.000 1.174 469 Y CA -0.639 57.601 58.100 0.234 0.000 1.295 469 Y CB -0.328 38.251 38.460 0.198 0.000 1.062 469 Y HN 0.292 nan 8.280 nan 0.000 0.522 470 R N 0.066 120.769 120.500 0.339 0.000 2.642 470 R HA 0.209 4.549 4.340 -0.000 0.000 0.435 470 R C -0.126 176.279 176.300 0.175 0.000 1.046 470 R CA -0.455 55.836 56.100 0.318 0.000 1.103 470 R CB 0.689 31.198 30.300 0.347 0.000 1.425 470 R HN -0.103 nan 8.270 nan 0.000 0.586 471 R N 1.461 122.048 120.500 0.144 0.000 2.643 471 R HA 0.043 4.383 4.340 -0.000 0.000 0.270 471 R C -0.138 176.212 176.300 0.085 0.000 1.061 471 R CA 0.002 56.151 56.100 0.082 0.000 1.107 471 R CB 0.270 30.599 30.300 0.048 0.000 0.999 471 R HN 0.057 nan 8.270 nan 0.000 0.460 472 D N 1.485 121.896 120.400 0.018 0.000 2.472 472 D HA -0.075 4.565 4.640 -0.000 0.000 0.237 472 D C 0.038 176.411 176.300 0.121 0.000 1.141 472 D CA 0.183 54.190 54.000 0.012 0.000 0.875 472 D CB 0.199 40.709 40.800 -0.484 0.000 1.192 472 D HN 0.244 nan 8.370 nan 0.000 0.450 473 F N 3.827 123.883 119.950 0.177 0.000 2.578 473 F HA 0.141 4.668 4.527 0.000 0.000 0.381 473 F C -1.737 174.046 175.800 -0.028 0.000 1.069 473 F CA -1.826 56.212 58.000 0.063 0.000 1.231 473 F CB 0.479 39.532 39.000 0.088 0.000 1.086 473 F HN 0.115 nan 8.300 nan 0.000 0.564 474 P HA 0.199 nan 4.420 nan 0.000 0.270 474 P C 0.381 177.436 177.300 -0.408 0.000 1.242 474 P CA 0.777 63.624 63.100 -0.420 0.000 0.768 474 P CB 0.772 32.207 31.700 -0.442 0.000 0.820 475 G N 2.968 111.727 108.800 -0.069 0.000 2.211 475 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.201 475 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.201 475 G C 1.016 176.079 174.900 0.273 0.000 0.997 475 G CA -0.015 45.119 45.100 0.056 0.000 0.652 475 G HN 0.678 nan 8.290 nan 0.000 0.500 476 G N -1.025 107.997 108.800 0.369 0.000 2.813 476 G HA2 0.279 4.239 3.960 -0.000 0.000 0.209 476 G HA3 0.279 4.239 3.960 -0.000 0.000 0.209 476 G C 0.497 175.421 174.900 0.040 0.000 1.150 476 G CA 0.364 45.629 45.100 0.274 0.000 0.785 476 G HN 0.383 nan 8.290 nan 0.000 0.535 477 W N -0.146 121.196 121.300 0.070 0.000 2.785 477 W HA 0.623 5.283 4.660 -0.000 0.000 0.333 477 W C -0.092 176.451 176.519 0.040 0.000 1.062 477 W CA -1.827 55.550 57.345 0.052 0.000 1.233 477 W CB 1.735 31.215 29.460 0.034 0.000 1.413 477 W HN 0.074 nan 8.180 nan 0.000 0.489 478 A N 1.377 124.302 122.820 0.175 0.000 2.567 478 A HA 0.384 4.704 4.320 -0.000 0.000 0.240 478 A C 1.163 178.828 177.584 0.136 0.000 1.053 478 A CA 1.767 53.876 52.037 0.120 0.000 0.755 478 A CB -0.366 18.679 19.000 0.076 0.000 0.978 478 A HN 1.554 nan 8.150 nan 0.000 0.507 479 G N 2.024 110.880 108.800 0.093 0.000 2.176 479 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.253 479 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.253 479 G C -0.047 174.889 174.900 0.059 0.000 0.979 479 G CA 0.271 45.412 45.100 0.068 0.000 0.641 479 G HN 0.873 nan 8.290 nan 0.000 0.530 480 D N 0.758 121.208 120.400 0.083 0.000 2.458 480 D HA 0.291 4.931 4.640 -0.000 0.000 0.243 480 D C 1.626 177.934 176.300 0.013 0.000 1.146 480 D CA -0.102 53.926 54.000 0.048 0.000 0.877 480 D CB 0.843 41.684 40.800 0.070 0.000 1.176 480 D HN 0.090 nan 8.370 nan 0.000 0.461 481 K N 1.073 121.465 120.400 -0.012 0.000 2.103 481 K HA 0.022 4.341 4.320 -0.000 0.000 0.204 481 K C 0.588 177.170 176.600 -0.031 0.000 1.052 481 K CA 0.525 56.800 56.287 -0.020 0.000 0.945 481 K CB 0.059 32.542 32.500 -0.029 0.000 0.722 481 K HN 0.412 nan 8.250 nan 0.000 0.443 482 A N 1.726 124.513 122.820 -0.054 0.000 2.337 482 A HA 0.491 4.811 4.320 -0.000 0.000 0.329 482 A C -0.737 176.788 177.584 -0.099 0.000 1.146 482 A CA -0.631 51.358 52.037 -0.079 0.000 0.800 482 A CB 0.863 19.796 19.000 -0.111 0.000 1.220 482 A HN 0.132 nan 8.150 nan 0.000 0.472 483 N N 1.326 119.968 118.700 -0.096 0.000 2.577 483 N HA 0.409 5.149 4.740 -0.000 0.000 0.275 483 N C 0.394 175.813 175.510 -0.153 0.000 1.091 483 N CA 0.185 53.175 53.050 -0.100 0.000 0.843 483 N CB 1.670 40.166 38.487 0.015 0.000 1.295 483 N HN 0.596 nan 8.380 nan 0.000 0.530 484 A N 3.068 125.671 122.820 -0.361 0.000 2.067 484 A HA 0.039 4.359 4.320 -0.000 0.000 0.219 484 A C 1.342 178.797 177.584 -0.216 0.000 1.158 484 A CA 0.781 52.622 52.037 -0.326 0.000 0.661 484 A CB -0.602 18.041 19.000 -0.594 0.000 0.801 484 A HN 0.650 nan 8.150 nan 0.000 0.452 485 F N 0.828 120.681 119.950 -0.161 0.000 2.146 485 F HA -0.174 4.353 4.527 -0.000 0.000 0.298 485 F C 2.845 178.651 175.800 0.011 0.000 1.096 485 F CA 1.415 59.248 58.000 -0.278 0.000 1.275 485 F CB -0.053 38.773 39.000 -0.291 0.000 1.008 485 F HN 0.362 nan 8.300 nan 0.000 0.480 486 S N -1.096 114.719 115.700 0.192 0.000 2.492 486 S HA 0.371 4.841 4.470 -0.000 0.000 0.218 486 S C 1.772 176.437 174.600 0.108 0.000 1.016 486 S CA 0.457 58.748 58.200 0.151 0.000 0.916 486 S CB 0.497 63.767 63.200 0.116 0.000 0.791 486 S HN 0.549 nan 8.310 nan 0.000 0.513 487 G N 1.144 109.988 108.800 0.074 0.000 2.195 487 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.246 487 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.246 487 G C 0.308 175.214 174.900 0.010 0.000 0.984 487 G CA -0.083 45.045 45.100 0.046 0.000 0.633 487 G HN 1.352 nan 8.290 nan 0.000 0.525 488 A N 0.196 123.023 122.820 0.012 0.000 2.520 488 A HA 0.616 4.936 4.320 -0.000 0.000 0.245 488 A C 2.091 179.659 177.584 -0.027 0.000 1.072 488 A CA 1.945 53.981 52.037 -0.001 0.000 0.761 488 A CB -0.174 18.832 19.000 0.010 0.000 1.004 488 A HN 2.394 nan 8.150 nan 0.000 0.499 489 G N 1.271 110.053 108.800 -0.029 0.000 2.184 489 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.264 489 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.264 489 G C 0.161 175.024 174.900 -0.062 0.000 0.975 489 G CA 0.432 45.506 45.100 -0.043 0.000 0.642 489 G HN 0.804 nan 8.290 nan 0.000 0.536 490 L N 1.875 123.060 121.223 -0.063 0.000 2.397 490 L HA 0.434 4.774 4.340 -0.000 0.000 0.271 490 L C 1.693 178.518 176.870 -0.075 0.000 1.148 490 L CA 0.052 54.845 54.840 -0.079 0.000 0.825 490 L CB 0.667 42.685 42.059 -0.069 0.000 1.117 490 L HN 0.416 nan 8.230 nan 0.000 0.456 491 T N -1.608 112.890 114.554 -0.092 0.000 2.766 491 T HA 0.051 4.401 4.350 -0.000 0.000 0.295 491 T C 1.316 175.952 174.700 -0.107 0.000 1.024 491 T CA -0.223 61.821 62.100 -0.094 0.000 1.018 491 T CB 1.137 69.943 68.868 -0.105 0.000 1.002 491 T HN 0.743 nan 8.240 nan 0.000 0.532 492 S N 0.017 115.652 115.700 -0.108 0.000 2.382 492 S HA -0.246 4.224 4.470 -0.000 0.000 0.228 492 S C 2.049 176.535 174.600 -0.189 0.000 1.027 492 S CA 1.224 59.351 58.200 -0.121 0.000 0.991 492 S CB -0.832 62.302 63.200 -0.110 0.000 0.823 492 S HN 0.827 nan 8.310 nan 0.000 0.469 493 Q N 0.926 120.578 119.800 -0.246 0.000 2.079 493 Q HA -0.143 4.197 4.340 -0.000 0.000 0.200 493 Q C 2.430 178.215 176.000 -0.359 0.000 0.974 493 Q CA 1.355 56.911 55.803 -0.412 0.000 0.840 493 Q CB -0.207 28.283 28.738 -0.414 0.000 0.898 493 Q HN 0.740 nan 8.270 nan 0.000 0.430 494 Q N -0.209 119.437 119.800 -0.256 0.000 2.061 494 Q HA -0.218 4.122 4.340 -0.000 0.000 0.204 494 Q C 2.148 178.082 176.000 -0.111 0.000 0.984 494 Q CA 1.514 57.194 55.803 -0.206 0.000 0.846 494 Q CB -0.138 28.500 28.738 -0.168 0.000 0.902 494 Q HN 0.100 nan 8.270 nan 0.000 0.421 495 R N 0.885 121.332 120.500 -0.088 0.000 2.092 495 R HA -0.065 4.275 4.340 -0.000 0.000 0.231 495 R C 1.909 178.213 176.300 0.006 0.000 1.119 495 R CA 1.569 57.655 56.100 -0.024 0.000 0.970 495 R CB -0.720 29.563 30.300 -0.028 0.000 0.864 495 R HN 0.251 nan 8.270 nan 0.000 0.440 496 A N 0.332 123.125 122.820 -0.044 0.000 1.902 496 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 496 A C 2.387 180.102 177.584 0.218 0.000 1.181 496 A CA 1.777 53.830 52.037 0.026 0.000 0.623 496 A CB -1.118 17.791 19.000 -0.151 0.000 0.818 496 A HN 0.468 nan 8.150 nan 0.000 0.443 497 A N -0.816 122.121 122.820 0.195 0.000 1.865 497 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 497 A C 2.233 180.015 177.584 0.330 0.000 1.191 497 A CA 1.960 54.174 52.037 0.294 0.000 0.623 497 A CB -0.691 18.223 19.000 -0.142 0.000 0.826 497 A HN 0.655 nan 8.150 nan 0.000 0.444 498 Q N -0.772 119.150 119.800 0.204 0.000 2.084 498 Q HA -0.222 4.118 4.340 -0.000 0.000 0.202 498 Q C 1.309 177.417 176.000 0.181 0.000 0.978 498 Q CA 1.704 57.639 55.803 0.220 0.000 0.844 498 Q CB -0.169 28.685 28.738 0.193 0.000 0.898 498 Q HN 0.612 nan 8.270 nan 0.000 0.426 499 D N 0.425 120.913 120.400 0.148 0.000 2.149 499 D HA -0.167 4.473 4.640 -0.000 0.000 0.198 499 D C 1.800 178.168 176.300 0.114 0.000 0.990 499 D CA 0.725 54.790 54.000 0.109 0.000 0.839 499 D CB -0.117 40.731 40.800 0.080 0.000 0.948 499 D HN 0.224 nan 8.370 nan 0.000 0.460 500 L N 0.416 121.750 121.223 0.184 0.000 2.072 500 L HA -0.083 4.257 4.340 -0.000 0.000 0.205 500 L C 2.193 179.141 176.870 0.130 0.000 1.079 500 L CA 1.091 56.029 54.840 0.163 0.000 0.752 500 L CB -0.389 41.830 42.059 0.267 0.000 0.906 500 L HN -0.141 nan 8.230 nan 0.000 0.436 501 V N 0.073 120.095 119.914 0.181 0.000 2.287 501 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 501 V C 2.774 178.856 176.094 -0.020 0.000 1.053 501 V CA 2.207 64.543 62.300 0.060 0.000 1.027 501 V CB -0.781 31.068 31.823 0.044 0.000 0.646 501 V HN 0.518 nan 8.190 nan 0.000 0.447 502 R N 0.275 120.785 120.500 0.017 0.000 2.081 502 R HA -0.220 4.120 4.340 -0.000 0.000 0.235 502 R C 2.423 178.731 176.300 0.012 0.000 1.131 502 R CA 2.112 58.200 56.100 -0.020 0.000 0.960 502 R CB -0.264 30.043 30.300 0.010 0.000 0.856 502 R HN 0.526 nan 8.270 nan 0.000 0.436 503 K N 0.376 120.806 120.400 0.050 0.000 2.002 503 K HA -0.143 4.177 4.320 -0.000 0.000 0.209 503 K C 2.107 178.834 176.600 0.211 0.000 1.048 503 K CA 1.588 57.935 56.287 0.100 0.000 0.930 503 K CB -0.130 32.372 32.500 0.004 0.000 0.714 503 K HN 0.202 nan 8.250 nan 0.000 0.438 504 L N 0.334 121.649 121.223 0.153 0.000 2.056 504 L HA -0.110 4.230 4.340 -0.000 0.000 0.207 504 L C 2.642 179.649 176.870 0.229 0.000 1.078 504 L CA 1.143 56.127 54.840 0.239 0.000 0.749 504 L CB -0.458 41.678 42.059 0.129 0.000 0.901 504 L HN 0.329 nan 8.230 nan 0.000 0.433 505 A N -0.015 122.803 122.820 -0.004 0.000 1.898 505 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 505 A C 2.072 179.591 177.584 -0.108 0.000 1.181 505 A CA 1.693 53.616 52.037 -0.190 0.000 0.620 505 A CB -0.558 18.068 19.000 -0.624 0.000 0.819 505 A HN 0.435 nan 8.150 nan 0.000 0.442 506 N N -1.450 117.229 118.700 -0.034 0.000 2.188 506 N HA -0.191 4.549 4.740 -0.000 0.000 0.184 506 N C 1.584 177.146 175.510 0.087 0.000 1.018 506 N CA 1.613 54.668 53.050 0.008 0.000 0.858 506 N CB -0.405 38.099 38.487 0.029 0.000 0.989 506 N HN 0.809 nan 8.380 nan 0.000 0.426 507 W N 2.796 124.066 121.300 -0.050 0.000 2.355 507 W HA -0.074 4.586 4.660 0.000 0.000 0.309 507 W C 2.498 178.924 176.519 -0.156 0.000 1.206 507 W CA 1.262 58.524 57.345 -0.138 0.000 1.284 507 W CB -0.333 28.983 29.460 -0.240 0.000 1.145 507 W HN -0.083 nan 8.180 nan 0.000 0.502 508 R N 0.883 121.349 120.500 -0.056 0.000 2.105 508 R HA -0.201 4.139 4.340 -0.000 0.000 0.239 508 R C 2.163 178.372 176.300 -0.151 0.000 1.135 508 R CA 1.926 57.860 56.100 -0.277 0.000 0.967 508 R CB -0.373 29.907 30.300 -0.034 0.000 0.861 508 R HN 0.189 nan 8.270 nan 0.000 0.442 509 K N -0.159 120.192 120.400 -0.081 0.000 2.211 509 K HA -0.141 4.179 4.320 -0.000 0.000 0.204 509 K C 0.930 177.524 176.600 -0.010 0.000 1.047 509 K CA 1.766 58.042 56.287 -0.017 0.000 0.935 509 K CB -0.109 32.358 32.500 -0.055 0.000 0.728 509 K HN 0.341 nan 8.250 nan 0.000 0.452 510 N N 0.370 118.965 118.700 -0.175 0.000 2.251 510 N HA 0.004 4.744 4.740 -0.000 0.000 0.217 510 N C -0.752 174.509 175.510 -0.414 0.000 1.124 510 N CA -0.043 52.871 53.050 -0.227 0.000 0.843 510 N CB 0.651 39.027 38.487 -0.186 0.000 1.024 510 N HN -0.017 nan 8.380 nan 0.000 0.501 511 Q N 0.103 119.531 119.800 -0.619 0.000 2.644 511 Q HA 0.227 4.567 4.340 -0.000 0.000 0.245 511 Q C -2.023 173.360 176.000 -1.028 0.000 1.064 511 Q CA -1.804 53.523 55.803 -0.794 0.000 0.860 511 Q CB 1.345 29.487 28.738 -0.993 0.000 1.145 511 Q HN 0.135 nan 8.270 nan 0.000 0.515 512 P HA -0.184 nan 4.420 nan 0.000 0.217 512 P C 1.503 178.559 177.300 -0.407 0.000 1.148 512 P CA 0.751 63.525 63.100 -0.545 0.000 0.828 512 P CB 0.415 31.971 31.700 -0.240 0.000 0.783 513 V N -0.697 119.007 119.914 -0.350 0.000 2.594 513 V HA -0.200 3.920 4.120 -0.000 0.000 0.253 513 V C 1.961 177.924 176.094 -0.218 0.000 1.069 513 V CA 1.560 63.724 62.300 -0.227 0.000 1.082 513 V CB -0.821 30.912 31.823 -0.150 0.000 0.680 513 V HN 0.017 nan 8.190 nan 0.000 0.469 514 I N -0.723 119.656 120.570 -0.318 0.000 2.406 514 I HA -0.156 4.013 4.170 -0.000 0.000 0.249 514 I C 2.249 178.327 176.117 -0.065 0.000 1.122 514 I CA 1.450 62.635 61.300 -0.190 0.000 1.431 514 I CB -0.511 37.352 38.000 -0.228 0.000 1.087 514 I HN 0.438 nan 8.210 nan 0.000 0.424 515 H N 1.257 120.240 119.070 -0.144 0.000 2.389 515 H HA -0.077 4.479 4.556 -0.000 0.000 0.299 515 H C 1.149 176.415 175.328 -0.103 0.000 1.081 515 H CA 1.465 57.444 56.048 -0.115 0.000 1.345 515 H CB 0.025 29.720 29.762 -0.112 0.000 1.393 515 H HN 0.475 nan 8.280 nan 0.000 0.520 516 N N -0.705 117.992 118.700 -0.006 0.000 2.039 516 N HA 0.087 4.827 4.740 -0.000 0.000 0.228 516 N C 0.432 175.881 175.510 -0.101 0.000 1.369 516 N CA 0.258 53.280 53.050 -0.046 0.000 0.806 516 N CB 0.083 38.553 38.487 -0.029 0.000 1.190 516 N HN 0.164 nan 8.380 nan 0.000 0.506 517 G N 0.402 109.122 108.800 -0.132 0.000 2.634 517 G HA2 0.327 4.287 3.960 -0.000 0.000 0.255 517 G HA3 0.327 4.287 3.960 -0.000 0.000 0.255 517 G C 0.142 174.886 174.900 -0.260 0.000 1.205 517 G CA -0.550 44.435 45.100 -0.193 0.000 0.884 517 G HN 0.062 nan 8.290 nan 0.000 0.549 518 R N -1.203 119.005 120.500 -0.487 0.000 2.726 518 R HA 0.324 4.664 4.340 -0.000 0.000 0.272 518 R C -0.616 175.454 176.300 -0.384 0.000 1.097 518 R CA -0.587 55.167 56.100 -0.577 0.000 1.198 518 R CB 0.848 30.471 30.300 -1.128 0.000 1.114 518 R HN 0.334 nan 8.270 nan 0.000 0.550 519 L N 1.106 122.236 121.223 -0.154 0.000 2.362 519 L HA 0.509 4.849 4.340 -0.000 0.000 0.275 519 L C -0.862 176.138 176.870 0.217 0.000 0.998 519 L CA -0.235 54.638 54.840 0.055 0.000 0.820 519 L CB 1.640 43.674 42.059 -0.041 0.000 1.270 519 L HN 0.602 nan 8.230 nan 0.000 0.415 520 M N 5.827 125.679 119.600 0.419 0.000 2.197 520 M HA 0.467 4.947 4.480 -0.000 0.000 0.301 520 M C -1.436 175.102 176.300 0.395 0.000 0.987 520 M CA -0.374 55.116 55.300 0.317 0.000 0.921 520 M CB 0.993 33.739 32.600 0.244 0.000 1.569 520 M HN 0.923 nan 8.290 nan 0.000 0.431 521 H N 1.909 121.128 119.070 0.249 0.000 2.651 521 H HA 0.688 5.244 4.556 -0.000 0.000 0.353 521 H C -1.816 173.633 175.328 0.202 0.000 1.178 521 H CA -1.045 55.234 56.048 0.384 0.000 1.224 521 H CB 1.536 31.628 29.762 0.550 0.000 1.702 521 H HN 0.542 nan 8.280 nan 0.000 0.550 522 F N 0.164 120.436 119.950 0.536 0.000 2.492 522 F HA 0.364 4.891 4.527 0.000 0.000 0.327 522 F C 0.994 176.809 175.800 0.024 0.000 1.079 522 F CA -0.645 57.563 58.000 0.348 0.000 0.967 522 F CB 1.971 41.252 39.000 0.468 0.000 1.169 522 F HN 0.843 nan 8.300 nan 0.000 0.472 523 G N 2.970 111.590 108.800 -0.299 0.000 2.305 523 G HA2 0.310 4.270 3.960 -0.000 0.000 0.243 523 G HA3 0.310 4.270 3.960 -0.000 0.000 0.243 523 G C -2.731 171.991 174.900 -0.297 0.000 1.288 523 G CA -0.851 43.632 45.100 -1.029 0.000 0.901 523 G HN 0.249 nan 8.290 nan 0.000 0.516 524 P HA 0.166 nan 4.420 nan 0.000 0.269 524 P C -0.390 176.887 177.300 -0.039 0.000 1.209 524 P CA 0.183 63.242 63.100 -0.068 0.000 0.776 524 P CB 0.931 32.482 31.700 -0.248 0.000 0.876 525 E N 1.343 121.570 120.200 0.046 0.000 2.246 525 E HA 0.147 4.497 4.350 -0.000 0.000 0.266 525 E C -0.602 176.022 176.600 0.039 0.000 0.880 525 E CA -0.605 55.815 56.400 0.033 0.000 0.762 525 E CB 1.108 30.837 29.700 0.048 0.000 1.180 525 E HN 0.396 nan 8.360 nan 0.000 0.416 526 E N 2.480 122.692 120.200 0.021 0.000 2.269 526 E HA -0.305 4.045 4.350 -0.000 0.000 0.223 526 E C -0.373 176.243 176.600 0.027 0.000 1.244 526 E CA 0.103 56.515 56.400 0.021 0.000 0.713 526 E CB -1.043 28.672 29.700 0.025 0.000 1.178 526 E HN 0.627 nan 8.360 nan 0.000 0.370 527 N N -0.755 117.956 118.700 0.018 0.000 2.747 527 N HA -0.156 4.584 4.740 -0.000 0.000 0.249 527 N C -0.672 174.878 175.510 0.066 0.000 1.107 527 N CA 1.905 54.969 53.050 0.023 0.000 0.707 527 N CB -1.015 37.480 38.487 0.014 0.000 1.054 527 N HN 0.639 nan 8.380 nan 0.000 0.555 528 T N -3.316 111.296 114.554 0.097 0.000 2.856 528 T HA 0.623 4.973 4.350 -0.000 0.000 0.283 528 T C -0.748 174.111 174.700 0.265 0.000 1.008 528 T CA -0.679 61.508 62.100 0.145 0.000 0.997 528 T CB 2.347 71.283 68.868 0.113 0.000 0.992 528 T HN 0.267 nan 8.240 nan 0.000 0.454 529 W N 2.820 124.134 121.300 0.022 0.000 3.097 529 W HA 0.640 5.300 4.660 -0.000 0.000 0.335 529 W C -2.244 174.285 176.519 0.017 0.000 1.114 529 W CA -1.336 56.047 57.345 0.062 0.000 1.231 529 W CB 1.661 31.186 29.460 0.109 0.000 1.388 529 W HN 0.719 nan 8.180 nan 0.000 0.485 530 V N 7.665 127.504 119.914 -0.125 0.000 2.540 530 V HA 0.571 4.691 4.120 -0.000 0.000 0.302 530 V C -0.984 174.928 176.094 -0.303 0.000 1.035 530 V CA -0.796 61.230 62.300 -0.457 0.000 0.873 530 V CB 1.231 32.590 31.823 -0.774 0.000 0.992 530 V HN 0.366 nan 8.190 nan 0.000 0.428 531 Y N 2.529 122.519 120.300 -0.516 0.000 2.625 531 Y HA 0.881 5.431 4.550 -0.000 0.000 0.338 531 Y C -1.832 173.908 175.900 -0.266 0.000 1.123 531 Y CA -1.839 56.159 58.100 -0.169 0.000 1.046 531 Y CB 1.632 39.923 38.460 -0.282 0.000 1.299 531 Y HN 0.368 nan 8.280 nan 0.000 0.464 532 F N 1.598 121.722 119.950 0.291 0.000 2.556 532 F HA 0.656 5.183 4.527 -0.000 0.000 0.314 532 F C -0.378 175.618 175.800 0.326 0.000 1.106 532 F CA -1.067 57.069 58.000 0.227 0.000 0.911 532 F CB 1.963 41.097 39.000 0.223 0.000 1.190 532 F HN 0.323 nan 8.300 nan 0.000 0.448 533 R N 2.789 123.524 120.500 0.393 0.000 2.346 533 R HA 0.497 4.837 4.340 -0.000 0.000 0.311 533 R C -1.333 175.151 176.300 0.306 0.000 0.983 533 R CA -0.751 55.501 56.100 0.254 0.000 0.880 533 R CB 1.148 31.515 30.300 0.111 0.000 1.100 533 R HN 0.814 nan 8.270 nan 0.000 0.453 534 Y N -0.194 120.159 120.300 0.089 0.000 2.552 534 Y HA 0.608 5.158 4.550 -0.000 0.000 0.337 534 Y C -0.927 174.985 175.900 0.020 0.000 1.094 534 Y CA -1.313 56.826 58.100 0.065 0.000 1.028 534 Y CB 1.613 40.121 38.460 0.079 0.000 1.321 534 Y HN 0.693 nan 8.280 nan 0.000 0.456 535 N N 0.201 118.982 118.700 0.135 0.000 3.364 535 N HA 0.191 4.931 4.740 -0.000 0.000 0.294 535 N C -0.361 175.209 175.510 0.102 0.000 1.562 535 N CA -0.684 52.402 53.050 0.061 0.000 0.862 535 N CB 0.741 39.202 38.487 -0.043 0.000 1.691 535 N HN 0.766 nan 8.380 nan 0.000 0.572 536 K N -1.442 118.992 120.400 0.056 0.000 2.362 536 K HA 0.028 4.348 4.320 -0.000 0.000 0.200 536 K C -0.381 176.238 176.600 0.031 0.000 1.046 536 K CA 1.355 57.671 56.287 0.047 0.000 0.952 536 K CB -0.132 32.385 32.500 0.028 0.000 0.753 536 K HN 0.395 nan 8.250 nan 0.000 0.466 537 D N 0.455 120.865 120.400 0.017 0.000 2.338 537 D HA 0.066 4.706 4.640 -0.000 0.000 0.208 537 D C 0.001 176.307 176.300 0.009 0.000 0.997 537 D CA 0.623 54.625 54.000 0.003 0.000 0.880 537 D CB 0.564 41.351 40.800 -0.021 0.000 0.980 537 D HN 0.182 nan 8.370 nan 0.000 0.509 538 K N -0.072 120.343 120.400 0.024 0.000 2.568 538 K HA 0.433 4.753 4.320 -0.000 0.000 0.273 538 K C -1.436 175.219 176.600 0.092 0.000 0.951 538 K CA -0.597 55.712 56.287 0.036 0.000 0.854 538 K CB 2.434 34.927 32.500 -0.012 0.000 1.424 538 K HN -0.268 nan 8.250 nan 0.000 0.427 539 R N 2.818 123.390 120.500 0.121 0.000 2.599 539 R HA 0.545 4.885 4.340 -0.000 0.000 0.295 539 R C -0.814 175.588 176.300 0.170 0.000 0.963 539 R CA -0.677 55.547 56.100 0.207 0.000 0.883 539 R CB 1.466 31.918 30.300 0.253 0.000 1.171 539 R HN 0.459 nan 8.270 nan 0.000 0.450 540 I N 3.655 124.331 120.570 0.175 0.000 2.382 540 I HA 0.316 4.486 4.170 -0.000 0.000 0.286 540 I C -0.317 175.771 176.117 -0.047 0.000 1.002 540 I CA -0.470 60.883 61.300 0.089 0.000 1.135 540 I CB 1.844 39.912 38.000 0.114 0.000 1.288 540 I HN 0.446 nan 8.210 nan 0.000 0.448 541 M N 7.847 127.303 119.600 -0.240 0.000 2.088 541 M HA 0.483 4.963 4.480 -0.000 0.000 0.346 541 M C -1.582 174.334 176.300 -0.640 0.000 1.111 541 M CA -0.484 54.364 55.300 -0.752 0.000 1.017 541 M CB 1.130 33.254 32.600 -0.793 0.000 1.568 541 M HN 0.295 nan 8.290 nan 0.000 0.445 542 V N 4.739 124.132 119.914 -0.868 0.000 2.427 542 V HA 0.839 4.959 4.120 -0.000 0.000 0.286 542 V C -0.167 175.426 176.094 -0.835 0.000 1.034 542 V CA -0.581 61.215 62.300 -0.840 0.000 0.893 542 V CB 1.283 32.395 31.823 -1.185 0.000 0.982 542 V HN 0.923 nan 8.190 nan 0.000 0.452 543 A N 6.915 129.425 122.820 -0.517 0.000 2.408 543 A HA 0.905 5.225 4.320 -0.000 0.000 0.295 543 A C -0.686 176.781 177.584 -0.195 0.000 1.040 543 A CA -0.657 51.151 52.037 -0.382 0.000 0.707 543 A CB 1.543 20.327 19.000 -0.360 0.000 1.235 543 A HN 0.940 nan 8.150 nan 0.000 0.418 544 M N 1.358 120.910 119.600 -0.080 0.000 2.465 544 M HA 0.658 5.138 4.480 -0.000 0.000 0.316 544 M C -0.954 175.379 176.300 0.055 0.000 1.121 544 M CA -0.754 54.554 55.300 0.014 0.000 0.934 544 M CB 2.076 34.728 32.600 0.087 0.000 1.692 544 M HN 0.479 nan 8.290 nan 0.000 0.444 545 N N 2.391 121.115 118.700 0.040 0.000 2.706 545 N HA 0.213 4.953 4.740 -0.000 0.000 0.240 545 N C -1.339 174.201 175.510 0.050 0.000 1.039 545 N CA -0.235 52.843 53.050 0.047 0.000 0.888 545 N CB 0.680 39.186 38.487 0.030 0.000 1.128 545 N HN 0.818 nan 8.380 nan 0.000 0.512 546 N N 3.288 122.023 118.700 0.058 0.000 3.259 546 N HA 0.163 4.903 4.740 -0.000 0.000 0.308 546 N C -1.353 174.179 175.510 0.037 0.000 1.334 546 N CA -0.001 53.077 53.050 0.047 0.000 1.202 546 N CB -0.492 38.020 38.487 0.042 0.000 1.485 546 N HN 0.471 nan 8.380 nan 0.000 0.549 547 N N 0.033 118.755 118.700 0.038 0.000 2.331 547 N HA 0.118 4.858 4.740 -0.000 0.000 0.280 547 N C -1.471 174.060 175.510 0.034 0.000 1.155 547 N CA -0.467 52.602 53.050 0.032 0.000 0.822 547 N CB 1.420 39.925 38.487 0.030 0.000 1.619 547 N HN 0.134 nan 8.380 nan 0.000 0.476 548 D N 1.288 121.707 120.400 0.032 0.000 3.038 548 D HA 0.124 4.764 4.640 -0.000 0.000 0.243 548 D C -0.145 176.172 176.300 0.028 0.000 1.245 548 D CA 0.433 54.453 54.000 0.033 0.000 0.871 548 D CB -0.027 40.792 40.800 0.032 0.000 1.089 548 D HN 0.417 nan 8.370 nan 0.000 0.464 549 K N -1.622 118.794 120.400 0.028 0.000 2.568 549 K HA 0.511 4.831 4.320 -0.000 0.000 0.273 549 K C -3.384 173.231 176.600 0.024 0.000 0.951 549 K CA -1.741 54.560 56.287 0.024 0.000 0.854 549 K CB 2.096 34.609 32.500 0.021 0.000 1.424 549 K HN -0.290 nan 8.250 nan 0.000 0.427 550 P HA 0.181 nan 4.420 nan 0.000 0.274 550 P C -0.843 176.471 177.300 0.022 0.000 1.231 550 P CA -0.246 62.866 63.100 0.021 0.000 0.790 550 P CB 0.538 32.248 31.700 0.017 0.000 0.951 551 M N 1.053 120.667 119.600 0.023 0.000 2.501 551 M HA 0.349 4.829 4.480 -0.000 0.000 0.293 551 M C -0.476 175.841 176.300 0.028 0.000 1.192 551 M CA -0.253 55.064 55.300 0.028 0.000 0.886 551 M CB 2.122 34.743 32.600 0.035 0.000 1.710 551 M HN 0.177 nan 8.290 nan 0.000 0.457 552 T N 3.827 118.400 114.554 0.031 0.000 2.812 552 T HA 0.732 5.082 4.350 -0.000 0.000 0.282 552 T C -0.428 174.299 174.700 0.046 0.000 0.990 552 T CA -0.540 61.580 62.100 0.033 0.000 0.960 552 T CB 1.170 70.052 68.868 0.023 0.000 0.948 552 T HN 0.471 nan 8.240 nan 0.000 0.438 553 L N 4.832 126.097 121.223 0.070 0.000 2.298 553 L HA 0.421 4.761 4.340 -0.000 0.000 0.284 553 L C -2.481 174.445 176.870 0.093 0.000 1.013 553 L CA -2.517 52.388 54.840 0.108 0.000 0.824 553 L CB 1.457 43.652 42.059 0.227 0.000 1.221 553 L HN 0.282 nan 8.230 nan 0.000 0.418 554 P HA -0.015 nan 4.420 nan 0.000 0.262 554 P C 0.825 178.082 177.300 -0.072 0.000 1.182 554 P CA 0.100 63.180 63.100 -0.034 0.000 0.761 554 P CB 0.649 32.302 31.700 -0.079 0.000 0.795 555 T N -0.241 114.315 114.554 0.002 0.000 3.100 555 T HA 0.081 4.431 4.350 -0.000 0.000 0.253 555 T C 1.684 176.337 174.700 -0.077 0.000 1.118 555 T CA 0.549 62.691 62.100 0.070 0.000 1.058 555 T CB -0.492 68.471 68.868 0.158 0.000 0.953 555 T HN 0.270 nan 8.240 nan 0.000 0.515 556 A N 2.361 125.108 122.820 -0.122 0.000 1.986 556 A HA -0.133 4.187 4.320 -0.000 0.000 0.220 556 A C 2.470 179.923 177.584 -0.219 0.000 1.171 556 A CA 1.686 53.649 52.037 -0.123 0.000 0.640 556 A CB -0.835 18.107 19.000 -0.096 0.000 0.811 556 A HN 0.538 nan 8.150 nan 0.000 0.451 557 R N -1.492 118.734 120.500 -0.456 0.000 2.105 557 R HA -0.148 4.192 4.340 -0.000 0.000 0.239 557 R C 0.562 176.491 176.300 -0.617 0.000 1.135 557 R CA 1.788 57.499 56.100 -0.648 0.000 0.967 557 R CB -0.248 29.378 30.300 -1.122 0.000 0.861 557 R HN 0.514 nan 8.270 nan 0.000 0.442 558 F N 0.255 120.068 119.950 -0.228 0.000 2.641 558 F HA 0.228 4.755 4.527 -0.000 0.000 0.302 558 F C 1.653 177.378 175.800 -0.124 0.000 1.098 558 F CA -0.366 57.430 58.000 -0.340 0.000 1.318 558 F CB 0.239 39.031 39.000 -0.346 0.000 1.035 558 F HN -0.126 nan 8.300 nan 0.000 0.551 559 Q N 1.251 121.069 119.800 0.031 0.000 2.226 559 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 559 Q C 2.003 177.991 176.000 -0.020 0.000 0.975 559 Q CA 1.518 57.325 55.803 0.007 0.000 0.866 559 Q CB -0.392 28.341 28.738 -0.008 0.000 0.915 559 Q HN 0.672 nan 8.270 nan 0.000 0.440 560 E N -0.991 119.217 120.200 0.014 0.000 2.268 560 E HA -0.123 4.227 4.350 -0.000 0.000 0.195 560 E C 1.545 178.039 176.600 -0.177 0.000 0.995 560 E CA 0.693 57.067 56.400 -0.044 0.000 0.836 560 E CB 0.006 29.706 29.700 -0.001 0.000 0.763 560 E HN 0.204 nan 8.360 nan 0.000 0.491 561 M N 0.236 119.675 119.600 -0.267 0.000 2.545 561 M HA 0.173 4.653 4.480 -0.000 0.000 0.264 561 M C 2.190 178.215 176.300 -0.457 0.000 1.155 561 M CA 0.528 55.448 55.300 -0.633 0.000 1.162 561 M CB -0.049 31.654 32.600 -1.495 0.000 1.330 561 M HN 0.171 nan 8.290 nan 0.000 0.479 562 L N 0.039 121.122 121.223 -0.235 0.000 2.209 562 L HA -0.035 4.305 4.340 -0.000 0.000 0.207 562 L C 0.559 177.410 176.870 -0.032 0.000 1.094 562 L CA 0.215 55.025 54.840 -0.051 0.000 0.790 562 L CB -0.140 41.959 42.059 0.067 0.000 0.932 562 L HN 0.199 nan 8.230 nan 0.000 0.447 563 K N 0.842 121.215 120.400 -0.046 0.000 3.156 563 K HA -0.234 4.086 4.320 -0.000 0.000 0.266 563 K C 0.946 177.541 176.600 -0.008 0.000 0.966 563 K CA 0.805 57.074 56.287 -0.030 0.000 0.719 563 K CB -2.263 30.212 32.500 -0.041 0.000 1.333 563 K HN 0.653 nan 8.250 nan 0.000 0.468 564 G N -1.420 107.382 108.800 0.003 0.000 2.148 564 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.254 564 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.254 564 G C 0.335 175.247 174.900 0.019 0.000 0.981 564 G CA 0.735 45.842 45.100 0.011 0.000 0.670 564 G HN 1.099 nan 8.290 nan 0.000 0.528 565 A N 0.763 123.599 122.820 0.027 0.000 2.561 565 A HA 0.509 4.829 4.320 -0.000 0.000 0.251 565 A C 0.179 177.784 177.584 0.035 0.000 1.062 565 A CA 0.284 52.342 52.037 0.035 0.000 0.761 565 A CB 0.417 19.448 19.000 0.051 0.000 0.986 565 A HN 0.245 nan 8.150 nan 0.000 0.510 566 P HA 0.011 nan 4.420 nan 0.000 0.231 566 P C 0.176 177.491 177.300 0.024 0.000 1.168 566 P CA 1.327 64.441 63.100 0.024 0.000 0.779 566 P CB 0.034 31.745 31.700 0.018 0.000 0.844 567 S N -3.081 112.635 115.700 0.026 0.000 2.688 567 S HA 0.632 5.102 4.470 -0.000 0.000 0.269 567 S C -0.842 173.773 174.600 0.024 0.000 1.060 567 S CA -0.300 57.913 58.200 0.021 0.000 0.844 567 S CB 1.019 64.228 63.200 0.015 0.000 1.095 567 S HN 0.311 nan 8.310 nan 0.000 0.466 568 G N -0.360 108.450 108.800 0.017 0.000 2.677 568 G HA2 0.583 4.543 3.960 -0.000 0.000 0.291 568 G HA3 0.583 4.543 3.960 -0.000 0.000 0.291 568 G C -1.644 173.263 174.900 0.013 0.000 1.435 568 G CA -0.478 44.635 45.100 0.021 0.000 0.826 568 G HN 1.246 nan 8.290 nan 0.000 0.491 569 V N 1.291 121.219 119.914 0.024 0.000 2.432 569 V HA 0.248 4.368 4.120 -0.000 0.000 0.271 569 V C 0.060 176.167 176.094 0.022 0.000 1.046 569 V CA -0.425 61.888 62.300 0.022 0.000 0.945 569 V CB 1.261 33.108 31.823 0.040 0.000 0.992 569 V HN 0.766 nan 8.190 nan 0.000 0.471 570 D N 3.366 123.761 120.400 -0.008 0.000 2.358 570 D HA -0.005 4.635 4.640 -0.000 0.000 0.258 570 D C 0.649 176.937 176.300 -0.021 0.000 1.223 570 D CA -0.119 53.864 54.000 -0.029 0.000 0.886 570 D CB 0.584 41.348 40.800 -0.060 0.000 1.120 570 D HN 0.403 nan 8.370 nan 0.000 0.482 571 F N 4.216 124.055 119.950 -0.186 0.000 2.216 571 F HA -0.100 4.427 4.527 0.000 0.000 0.300 571 F C 1.405 177.051 175.800 -0.257 0.000 1.085 571 F CA 1.200 59.042 58.000 -0.263 0.000 1.326 571 F CB -0.021 38.684 39.000 -0.492 0.000 1.027 571 F HN 0.466 nan 8.300 nan 0.000 0.497 572 L N -0.405 120.606 121.223 -0.353 0.000 2.005 572 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 572 L C 2.602 179.294 176.870 -0.298 0.000 1.072 572 L CA 1.714 56.327 54.840 -0.379 0.000 0.744 572 L CB -0.997 40.940 42.059 -0.204 0.000 0.895 572 L HN 0.302 nan 8.230 nan 0.000 0.433 573 S N -1.466 114.119 115.700 -0.191 0.000 2.503 573 S HA 0.178 4.648 4.470 -0.000 0.000 0.215 573 S C 1.598 176.126 174.600 -0.120 0.000 1.003 573 S CA 0.421 58.544 58.200 -0.128 0.000 0.910 573 S CB 0.804 63.957 63.200 -0.078 0.000 0.790 573 S HN 0.530 nan 8.310 nan 0.000 0.514 574 G N 1.343 110.066 108.800 -0.129 0.000 2.179 574 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.260 574 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.260 574 G C -0.022 174.852 174.900 -0.042 0.000 0.977 574 G CA 0.437 45.488 45.100 -0.081 0.000 0.641 574 G HN 0.610 nan 8.290 nan 0.000 0.533 575 K N 1.008 121.381 120.400 -0.044 0.000 2.185 575 K HA 0.484 4.804 4.320 -0.000 0.000 0.271 575 K C 0.270 176.859 176.600 -0.018 0.000 1.013 575 K CA -0.056 56.215 56.287 -0.027 0.000 0.943 575 K CB 0.717 33.200 32.500 -0.028 0.000 0.998 575 K HN 0.092 nan 8.250 nan 0.000 0.468 576 T N 1.839 116.387 114.554 -0.009 0.000 2.814 576 T HA 0.159 4.509 4.350 -0.000 0.000 0.297 576 T C -0.163 174.533 174.700 -0.008 0.000 0.956 576 T CA -0.541 61.556 62.100 -0.004 0.000 1.123 576 T CB 0.487 69.356 68.868 0.002 0.000 0.902 576 T HN 0.140 nan 8.240 nan 0.000 0.528 577 V N 3.314 123.222 119.914 -0.010 0.000 2.398 577 V HA 0.577 4.697 4.120 -0.000 0.000 0.286 577 V C 0.978 177.069 176.094 -0.005 0.000 1.026 577 V CA -0.997 61.294 62.300 -0.015 0.000 0.868 577 V CB 1.585 33.389 31.823 -0.031 0.000 0.982 577 V HN 1.032 nan 8.190 nan 0.000 0.443 578 G N 3.496 112.296 108.800 -0.001 0.000 2.442 578 G HA2 0.471 4.431 3.960 -0.000 0.000 0.249 578 G HA3 0.471 4.431 3.960 -0.000 0.000 0.249 578 G C 0.133 175.040 174.900 0.013 0.000 1.263 578 G CA -0.149 44.955 45.100 0.008 0.000 0.846 578 G HN 0.745 nan 8.290 nan 0.000 0.555 579 L N 2.065 123.302 121.223 0.024 0.000 3.360 579 L HA 0.210 4.550 4.340 -0.000 0.000 0.303 579 L C 2.422 179.319 176.870 0.045 0.000 1.218 579 L CA 0.263 55.128 54.840 0.041 0.000 1.059 579 L CB 0.616 42.705 42.059 0.049 0.000 1.468 579 L HN 0.724 nan 8.230 nan 0.000 0.614 580 G N 0.498 109.316 108.800 0.031 0.000 2.491 580 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.218 580 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.218 580 G C 1.662 176.575 174.900 0.023 0.000 1.180 580 G CA 0.908 46.023 45.100 0.025 0.000 0.774 580 G HN 0.228 nan 8.290 nan 0.000 0.562 581 R N -0.086 120.427 120.500 0.022 0.000 2.492 581 R HA 0.193 4.533 4.340 -0.000 0.000 0.219 581 R C -0.162 176.151 176.300 0.021 0.000 0.886 581 R CA 0.568 56.676 56.100 0.015 0.000 1.003 581 R CB 0.688 30.993 30.300 0.008 0.000 1.345 581 R HN 0.599 nan 8.270 nan 0.000 0.631 582 E N 0.418 120.637 120.200 0.032 0.000 2.390 582 E HA 0.174 4.524 4.350 -0.000 0.000 0.280 582 E C -1.836 174.793 176.600 0.047 0.000 0.992 582 E CA -0.856 55.569 56.400 0.042 0.000 0.790 582 E CB 1.365 31.081 29.700 0.026 0.000 1.248 582 E HN -0.046 nan 8.360 nan 0.000 0.447 583 L N 1.971 123.232 121.223 0.064 0.000 2.280 583 L HA 0.463 4.803 4.340 -0.000 0.000 0.287 583 L C -0.884 176.001 176.870 0.024 0.000 1.023 583 L CA -0.399 54.463 54.840 0.036 0.000 0.819 583 L CB 0.894 42.970 42.059 0.028 0.000 1.212 583 L HN 0.545 nan 8.230 nan 0.000 0.420 584 R N 6.490 126.996 120.500 0.010 0.000 2.204 584 R HA 0.501 4.841 4.340 -0.000 0.000 0.341 584 R C -1.144 175.156 176.300 0.000 0.000 1.035 584 R CA -0.506 55.600 56.100 0.009 0.000 0.887 584 R CB 0.599 30.904 30.300 0.008 0.000 1.114 584 R HN 0.603 nan 8.270 nan 0.000 0.473 585 L N 2.541 123.766 121.223 0.004 0.000 2.295 585 L HA 0.491 4.831 4.340 -0.000 0.000 0.285 585 L C 0.657 177.531 176.870 0.008 0.000 1.035 585 L CA -0.752 54.087 54.840 -0.001 0.000 0.806 585 L CB 1.632 43.690 42.059 -0.002 0.000 1.214 585 L HN 0.618 nan 8.230 nan 0.000 0.426 586 A N 4.858 127.682 122.820 0.007 0.000 2.346 586 A HA 0.519 4.839 4.320 -0.000 0.000 0.252 586 A C -2.328 175.270 177.584 0.022 0.000 1.089 586 A CA -1.244 50.802 52.037 0.015 0.000 0.797 586 A CB -0.389 18.620 19.000 0.015 0.000 1.047 586 A HN 0.457 nan 8.150 nan 0.000 0.494 587 P HA 0.066 nan 4.420 nan 0.000 0.264 587 P C -0.438 176.887 177.300 0.042 0.000 1.183 587 P CA 0.541 63.661 63.100 0.034 0.000 0.763 587 P CB 0.100 31.822 31.700 0.035 0.000 0.807 588 K N -0.678 119.749 120.400 0.045 0.000 3.035 588 K HA -0.149 4.171 4.320 -0.000 0.000 0.262 588 K C 0.035 176.667 176.600 0.052 0.000 1.024 588 K CA 0.686 57.006 56.287 0.055 0.000 0.748 588 K CB -1.968 30.576 32.500 0.073 0.000 1.247 588 K HN 0.687 nan 8.250 nan 0.000 0.482 589 S N -0.999 114.722 115.700 0.035 0.000 2.651 589 S HA 0.741 5.211 4.470 -0.000 0.000 0.291 589 S C -0.246 174.355 174.600 0.002 0.000 1.141 589 S CA -0.731 57.481 58.200 0.020 0.000 1.027 589 S CB 2.773 65.978 63.200 0.008 0.000 1.043 589 S HN 0.214 nan 8.310 nan 0.000 0.530 590 V N 1.617 121.521 119.914 -0.017 0.000 2.808 590 V HA 0.751 4.871 4.120 -0.000 0.000 0.308 590 V C -0.978 175.069 176.094 -0.078 0.000 1.099 590 V CA -0.489 61.782 62.300 -0.049 0.000 0.920 590 V CB 1.748 33.548 31.823 -0.038 0.000 1.014 590 V HN 1.256 nan 8.190 nan 0.000 0.425 591 V N 4.291 124.134 119.914 -0.119 0.000 2.769 591 V HA 0.850 4.970 4.120 -0.000 0.000 0.312 591 V C -0.804 175.186 176.094 -0.173 0.000 1.061 591 V CA -0.654 61.567 62.300 -0.131 0.000 0.931 591 V CB 1.915 33.665 31.823 -0.123 0.000 1.010 591 V HN 0.659 nan 8.190 nan 0.000 0.433 592 V N 5.098 124.925 119.914 -0.145 0.000 2.320 592 V HA 0.442 4.562 4.120 -0.000 0.000 0.268 592 V C -0.145 175.900 176.094 -0.082 0.000 1.021 592 V CA -0.109 62.106 62.300 -0.142 0.000 0.813 592 V CB 0.739 32.470 31.823 -0.154 0.000 1.054 592 V HN 0.792 nan 8.190 nan 0.000 0.444 593 I N 3.435 123.939 120.570 -0.111 0.000 2.342 593 I HA 0.346 4.516 4.170 -0.000 0.000 0.291 593 I C 0.456 176.572 176.117 -0.002 0.000 1.010 593 I CA -0.117 61.149 61.300 -0.057 0.000 1.308 593 I CB 1.132 39.077 38.000 -0.091 0.000 1.400 593 I HN 0.526 nan 8.210 nan 0.000 0.488 594 E N 7.214 127.444 120.200 0.050 0.000 2.175 594 E HA 0.664 5.014 4.350 -0.000 0.000 0.278 594 E C -1.011 175.631 176.600 0.071 0.000 0.969 594 E CA -0.576 55.874 56.400 0.083 0.000 0.796 594 E CB 2.093 31.863 29.700 0.116 0.000 1.104 594 E HN 0.425 nan 8.360 nan 0.000 0.395 595 L N 3.094 124.365 121.223 0.080 0.000 2.359 595 L HA 0.516 4.856 4.340 -0.000 0.000 0.256 595 L C -2.415 174.495 176.870 0.067 0.000 1.026 595 L CA -2.477 52.408 54.840 0.076 0.000 0.828 595 L CB 1.879 44.000 42.059 0.103 0.000 1.406 595 L HN 0.329 nan 8.230 nan 0.000 0.413 596 P HA 0.087 nan 4.420 nan 0.000 0.272 596 P C -0.179 177.152 177.300 0.051 0.000 1.254 596 P CA -0.274 62.852 63.100 0.042 0.000 0.795 596 P CB 0.289 32.009 31.700 0.033 0.000 1.022 597 G N -0.155 108.670 108.800 0.041 0.000 2.690 597 G HA2 0.234 4.194 3.960 -0.000 0.000 0.239 597 G HA3 0.234 4.194 3.960 -0.000 0.000 0.239 597 G C -0.913 174.016 174.900 0.048 0.000 1.233 597 G CA -0.176 44.954 45.100 0.050 0.000 0.847 597 G HN 0.480 nan 8.290 nan 0.000 0.588 598 L N 2.460 123.723 121.223 0.065 0.000 2.265 598 L HA 0.476 4.816 4.340 -0.000 0.000 0.289 598 L C -1.764 175.130 176.870 0.040 0.000 1.033 598 L CA -1.531 53.329 54.840 0.033 0.000 0.814 598 L CB 1.244 43.312 42.059 0.014 0.000 1.203 598 L HN 0.304 nan 8.230 nan 0.000 0.423 599 P HA 0.000 nan 4.420 nan 0.000 0.216 599 P CA 0.000 63.111 63.100 0.019 0.000 0.800 599 P CB 0.000 31.704 31.700 0.007 0.000 0.726