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 1h3g_1_B DATA FIRST_RESID 3 DATA SEQUENCE PTAIEHXEPP FWWAGXQHKG LQLXVHGRDI GRXEAALDYP GVRLVSTTRV DATA SEQUENCE PNANYLFVDL EIGPEAQPGS FDIVFKGDGR SERYRYRLLA REQGSAQRQG DATA SEQUENCE FGPGDAIYQI XPDRFANGDP SNDNVAGXRE QADRRHGGGR HGGDIRGTID DATA SEQUENCE HLDYIAGLGF TQLWPTPLVE NDAAAYSYHG YAATDHYRID PRYGSNEDFV DATA SEQUENCE RLSTEARKRG XGLIQDVVLS HIGKHHWWXK DLPTPDWINY GGKFVPTQHH DATA SEQUENCE RVAVQDPYAA QADSENFTKG WFVEGXPDLN QTNPLVANYL IQNNIWWIEY DATA SEQUENCE AGLSGLRIDT YGYSDGAFLT EYTRRLXAEY PRLNXVGEEW STRVPVVARW DATA SEQUENCE QRGKANFDGY TSHLPSLXDF PLVDAXRNAL SKTGEENGLN EVYETLSLDY DATA SEQUENCE LYPEPQNLVL FGGNHDXARX FSAAGEDFDR WRXNLVFLXT XPRIPQFYSG DATA SEQUENCE DEILXTSTVK GRDDASYRRD FPGGWAGDKA NAFSGAGLTS QQRAAQDLVR DATA SEQUENCE KLANWRKNQP VIHNGRLXHF GPEENTWVYF RYNKDKRIXV AXNNNDKPXT DATA SEQUENCE LPTARFQEXL KGAPSGVDFL SGKTVGLGRE LRLAPKSVVV IELPGLPE 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 0.000 177.231 177.300 -0.115 0.000 1.155 3 P CA 0.000 63.036 63.100 -0.107 0.000 0.800 3 P CB 0.000 31.615 31.700 -0.141 0.000 0.726 4 T N -1.811 112.668 114.554 -0.125 0.000 2.937 4 T HA 0.365 4.715 4.350 0.000 0.000 0.316 4 T C 1.280 175.895 174.700 -0.143 0.000 1.079 4 T CA 0.096 62.127 62.100 -0.115 0.000 1.131 4 T CB 0.460 69.264 68.868 -0.106 0.000 1.000 4 T HN 0.638 nan 8.240 nan 0.000 0.549 5 A N 2.419 125.172 122.820 -0.113 0.000 2.032 5 A HA 0.091 4.411 4.320 0.000 0.000 0.221 5 A C 1.171 178.641 177.584 -0.191 0.000 1.165 5 A CA 0.892 52.850 52.037 -0.132 0.000 0.645 5 A CB -0.740 18.214 19.000 -0.077 0.000 0.807 5 A HN 0.854 nan 8.150 nan 0.000 0.453 6 I N -0.763 119.710 120.570 -0.161 0.000 2.466 6 I HA 0.173 4.343 4.170 0.000 0.000 0.279 6 I C 0.731 176.716 176.117 -0.220 0.000 1.033 6 I CA -0.270 60.911 61.300 -0.197 0.000 1.123 6 I CB 1.564 39.526 38.000 -0.063 0.000 1.237 6 I HN 0.171 nan 8.210 nan 0.000 0.460 7 E N 4.192 124.185 120.200 -0.345 0.000 2.216 7 E HA 0.019 4.369 4.350 0.000 0.000 0.192 7 E C 0.194 176.368 176.600 -0.709 0.000 0.988 7 E CA 0.993 57.114 56.400 -0.464 0.000 0.834 7 E CB 0.487 29.921 29.700 -0.443 0.000 0.772 7 E HN 0.553 nan 8.360 nan 0.000 0.479 11 P HA 0.100 nan 4.420 nan 0.000 0.271 11 P C -2.281 174.751 177.300 -0.446 0.000 1.218 11 P CA -1.256 61.438 63.100 -0.677 0.000 0.780 11 P CB 0.614 32.244 31.700 -0.116 0.000 0.901 12 P HA -0.039 nan 4.420 nan 0.000 0.220 12 P C -0.043 177.095 177.300 -0.271 0.000 1.148 12 P CA 1.461 64.330 63.100 -0.386 0.000 0.803 12 P CB -0.154 31.272 31.700 -0.458 0.000 0.782 13 F N -5.948 113.899 119.950 -0.172 0.000 2.779 13 F HA 0.653 5.181 4.527 0.000 0.000 0.316 13 F C -0.986 174.836 175.800 0.035 0.000 1.164 13 F CA -1.829 55.866 58.000 -0.509 0.000 0.924 13 F CB 0.522 39.242 39.000 -0.468 0.000 1.348 13 F HN -0.167 nan 8.300 nan 0.000 0.467 14 W N 0.461 121.720 121.300 -0.067 0.000 3.307 14 W HA 0.547 5.207 4.660 0.000 0.000 0.376 14 W C -1.909 174.430 176.519 -0.301 0.000 1.113 14 W CA -0.935 56.398 57.345 -0.020 0.000 1.087 14 W CB 1.978 31.684 29.460 0.410 0.000 1.511 14 W HN 0.564 nan 8.180 nan 0.000 0.604 15 W N 1.302 122.588 121.300 -0.022 0.000 2.864 15 W HA 0.558 5.218 4.660 0.000 0.000 0.343 15 W C -0.170 176.430 176.519 0.136 0.000 1.109 15 W CA -0.857 56.489 57.345 0.001 0.000 1.192 15 W CB 1.416 30.770 29.460 -0.177 0.000 1.426 15 W HN 0.371 nan 8.180 nan 0.000 0.529 16 A N 1.314 124.351 122.820 0.361 0.000 2.351 16 A HA 0.689 5.009 4.320 0.000 0.000 0.257 16 A C 0.603 178.337 177.584 0.249 0.000 1.087 16 A CA 1.033 53.254 52.037 0.307 0.000 0.798 16 A CB -0.179 18.974 19.000 0.255 0.000 1.033 16 A HN 1.352 nan 8.150 nan 0.000 0.488 20 H N 1.727 120.842 119.070 0.074 0.000 2.800 20 H HA 0.357 4.913 4.556 0.000 0.000 0.291 20 H C 0.403 175.834 175.328 0.171 0.000 1.076 20 H CA 0.330 56.440 56.048 0.104 0.000 1.452 20 H CB 1.032 30.858 29.762 0.107 0.000 1.461 20 H HN 0.155 nan 8.280 nan 0.000 0.488 21 K N 2.963 123.329 120.400 -0.056 0.000 2.296 21 K HA 0.083 4.403 4.320 0.000 0.000 0.200 21 K C 1.028 177.687 176.600 0.099 0.000 1.048 21 K CA 0.700 57.022 56.287 0.058 0.000 0.966 21 K CB 0.419 32.914 32.500 -0.009 0.000 0.754 21 K HN 0.695 nan 8.250 nan 0.000 0.466 22 G N 0.916 109.729 108.800 0.021 0.000 2.483 22 G HA2 0.381 4.342 3.960 0.000 0.000 0.248 22 G HA3 0.381 4.342 3.960 0.000 0.000 0.248 22 G C -1.217 173.806 174.900 0.204 0.000 1.248 22 G CA -0.291 44.898 45.100 0.149 0.000 0.838 22 G HN 0.079 nan 8.290 nan 0.000 0.566 23 L N 0.597 121.831 121.223 0.018 0.000 2.476 23 L HA 0.457 4.797 4.340 0.000 0.000 0.269 23 L C -0.489 176.307 176.870 -0.124 0.000 0.965 23 L CA -0.632 54.089 54.840 -0.199 0.000 0.845 23 L CB 2.296 44.120 42.059 -0.391 0.000 1.259 23 L HN 0.594 nan 8.230 nan 0.000 0.403 24 Q N 4.786 124.526 119.800 -0.100 0.000 2.400 24 Q HA 0.579 4.919 4.340 0.000 0.000 0.255 24 Q C -1.252 174.752 176.000 0.006 0.000 1.008 24 Q CA -0.482 55.329 55.803 0.014 0.000 0.841 24 Q CB 0.907 29.709 28.738 0.106 0.000 1.220 24 Q HN 0.801 nan 8.270 nan 0.000 0.474 28 H N 2.381 121.349 119.070 -0.171 0.000 2.609 28 H HA 0.829 5.385 4.556 0.000 0.000 0.344 28 H C -0.336 174.807 175.328 -0.309 0.000 1.040 28 H CA 0.303 56.186 56.048 -0.276 0.000 1.216 28 H CB 2.243 31.984 29.762 -0.035 0.000 1.529 28 H HN 1.120 nan 8.280 nan 0.000 0.519 29 G N 3.881 112.186 108.800 -0.825 0.000 2.519 29 G HA2 0.133 4.093 3.960 0.000 0.000 0.292 29 G HA3 0.133 4.093 3.960 0.000 0.000 0.292 29 G C -1.402 173.191 174.900 -0.511 0.000 1.507 29 G CA -1.165 43.530 45.100 -0.675 0.000 0.806 29 G HN 0.711 nan 8.290 nan 0.000 0.523 30 R N 0.913 121.188 120.500 -0.375 0.000 2.480 30 R HA 0.259 4.600 4.340 0.000 0.000 0.303 30 R C -0.036 176.149 176.300 -0.192 0.000 0.985 30 R CA 0.981 56.934 56.100 -0.244 0.000 1.051 30 R CB -0.056 30.143 30.300 -0.168 0.000 0.935 30 R HN 0.538 nan 8.270 nan 0.000 0.410 31 D N 2.940 123.246 120.400 -0.155 0.000 2.983 31 D HA -0.253 4.387 4.640 0.000 0.000 0.225 31 D C 0.645 176.870 176.300 -0.125 0.000 1.174 31 D CA 1.166 55.101 54.000 -0.107 0.000 0.831 31 D CB -0.872 39.885 40.800 -0.072 0.000 1.104 31 D HN 0.605 nan 8.370 nan 0.000 0.421 32 I N -0.035 120.414 120.570 -0.202 0.000 2.454 32 I HA -0.031 4.139 4.170 0.000 0.000 0.254 32 I C 2.320 178.341 176.117 -0.160 0.000 1.156 32 I CA 2.012 63.160 61.300 -0.253 0.000 1.433 32 I CB -0.176 37.572 38.000 -0.420 0.000 1.082 32 I HN 0.201 nan 8.210 nan 0.000 0.432 33 G N 0.733 109.475 108.800 -0.098 0.000 2.535 33 G HA2 -0.125 3.835 3.960 0.000 0.000 0.218 33 G HA3 -0.125 3.835 3.960 0.000 0.000 0.218 33 G C 1.147 176.054 174.900 0.011 0.000 1.122 33 G CA 0.117 45.210 45.100 -0.012 0.000 0.769 33 G HN 0.321 nan 8.290 nan 0.000 0.549 37 A N 2.366 125.257 122.820 0.119 0.000 2.306 37 A HA 0.997 5.317 4.320 0.000 0.000 0.330 37 A C -0.641 176.899 177.584 -0.074 0.000 1.146 37 A CA 0.288 52.320 52.037 -0.009 0.000 0.827 37 A CB 1.471 20.510 19.000 0.066 0.000 1.178 37 A HN 0.833 nan 8.150 nan 0.000 0.490 38 A N 0.523 123.244 122.820 -0.165 0.000 2.612 38 A HA 0.772 5.092 4.320 0.000 0.000 0.293 38 A C -1.289 176.233 177.584 -0.102 0.000 1.075 38 A CA -0.233 51.746 52.037 -0.097 0.000 0.680 38 A CB 0.925 19.891 19.000 -0.056 0.000 1.279 38 A HN 2.243 nan 8.150 nan 0.000 0.411 39 L N -1.820 119.370 121.223 -0.056 0.000 2.775 39 L HA 0.942 5.282 4.340 0.000 0.000 0.263 39 L C -1.255 175.591 176.870 -0.040 0.000 1.017 39 L CA -0.520 54.311 54.840 -0.014 0.000 0.891 39 L CB 1.934 44.001 42.059 0.013 0.000 1.482 39 L HN 0.573 nan 8.230 nan 0.000 0.410 40 D N 0.017 120.417 120.400 -0.001 0.000 2.479 40 D HA 0.594 5.234 4.640 0.000 0.000 0.246 40 D C -2.106 174.234 176.300 0.067 0.000 1.336 40 D CA 0.097 54.098 54.000 0.000 0.000 0.967 40 D CB 1.120 41.934 40.800 0.023 0.000 1.275 40 D HN 0.690 nan 8.370 nan 0.000 0.577 41 Y N 3.082 123.261 120.300 -0.201 0.000 2.436 41 Y HA 0.429 4.979 4.550 0.000 0.000 0.327 41 Y C -2.674 173.143 175.900 -0.138 0.000 1.138 41 Y CA -1.997 55.998 58.100 -0.175 0.000 1.042 41 Y CB 1.922 40.145 38.460 -0.395 0.000 1.302 41 Y HN 0.220 nan 8.280 nan 0.000 0.439 42 P HA 0.247 nan 4.420 nan 0.000 0.263 42 P C 0.546 177.699 177.300 -0.245 0.000 1.195 42 P CA 2.051 64.949 63.100 -0.336 0.000 0.762 42 P CB 0.655 32.139 31.700 -0.360 0.000 0.799 43 G N 1.300 110.041 108.800 -0.097 0.000 2.199 43 G HA2 -0.200 3.760 3.960 0.000 0.000 0.254 43 G HA3 -0.200 3.760 3.960 0.000 0.000 0.254 43 G C 0.030 174.954 174.900 0.040 0.000 0.982 43 G CA -0.035 45.057 45.100 -0.012 0.000 0.632 43 G HN 0.545 nan 8.290 nan 0.000 0.529 44 V N 0.571 120.496 119.914 0.018 0.000 2.581 44 V HA 0.805 4.926 4.120 0.000 0.000 0.303 44 V C 0.410 176.461 176.094 -0.072 0.000 1.041 44 V CA -0.729 61.561 62.300 -0.017 0.000 0.907 44 V CB 1.852 33.586 31.823 -0.147 0.000 0.994 44 V HN 0.459 nan 8.190 nan 0.000 0.442 45 R N 3.476 123.945 120.500 -0.052 0.000 2.538 45 R HA 0.454 4.794 4.340 0.000 0.000 0.292 45 R C -1.524 174.751 176.300 -0.043 0.000 1.008 45 R CA -0.816 55.255 56.100 -0.049 0.000 0.896 45 R CB 1.498 31.783 30.300 -0.025 0.000 1.187 45 R HN 0.580 nan 8.270 nan 0.000 0.440 46 L N 6.607 127.801 121.223 -0.048 0.000 2.369 46 L HA 0.118 4.458 4.340 0.000 0.000 0.279 46 L C 0.353 177.218 176.870 -0.009 0.000 1.108 46 L CA 0.699 55.522 54.840 -0.028 0.000 0.852 46 L CB 1.296 43.338 42.059 -0.029 0.000 1.169 46 L HN 0.691 nan 8.230 nan 0.000 0.452 47 V N 3.999 123.914 119.914 0.002 0.000 2.500 47 V HA 0.079 4.199 4.120 0.000 0.000 0.243 47 V C 0.960 177.064 176.094 0.018 0.000 1.039 47 V CA 1.238 63.543 62.300 0.009 0.000 1.053 47 V CB -0.020 31.812 31.823 0.014 0.000 0.695 47 V HN 0.967 nan 8.190 nan 0.000 0.463 48 S N -1.073 114.645 115.700 0.029 0.000 2.627 48 S HA 0.503 4.973 4.470 0.000 0.000 0.268 48 S C -0.695 173.943 174.600 0.064 0.000 1.130 48 S CA -0.084 58.140 58.200 0.041 0.000 0.819 48 S CB 1.925 65.148 63.200 0.038 0.000 1.100 48 S HN 0.478 nan 8.310 nan 0.000 0.465 49 T N -0.976 113.624 114.554 0.077 0.000 2.893 49 T HA 0.783 5.134 4.350 0.000 0.000 0.293 49 T C -0.838 173.932 174.700 0.117 0.000 1.027 49 T CA -0.565 61.603 62.100 0.113 0.000 0.988 49 T CB 1.739 70.679 68.868 0.119 0.000 1.043 49 T HN 0.745 nan 8.240 nan 0.000 0.461 50 T N 2.718 117.373 114.554 0.168 0.000 2.824 50 T HA 0.620 4.970 4.350 0.000 0.000 0.282 50 T C -0.325 174.504 174.700 0.214 0.000 0.993 50 T CA -0.776 61.413 62.100 0.147 0.000 0.967 50 T CB 1.188 70.111 68.868 0.093 0.000 0.960 50 T HN 0.609 nan 8.240 nan 0.000 0.441 51 R N 1.229 121.817 120.500 0.146 0.000 2.711 51 R HA 0.815 5.155 4.340 0.000 0.000 0.284 51 R C -0.461 175.911 176.300 0.121 0.000 0.968 51 R CA -0.896 55.297 56.100 0.155 0.000 0.924 51 R CB 1.790 32.152 30.300 0.104 0.000 1.162 51 R HN 0.513 nan 8.270 nan 0.000 0.465 52 V N -0.636 119.364 119.914 0.142 0.000 3.113 52 V HA 0.503 4.623 4.120 0.000 0.000 0.316 52 V C -2.095 174.047 176.094 0.080 0.000 1.125 52 V CA -1.928 60.427 62.300 0.092 0.000 1.026 52 V CB 1.665 33.546 31.823 0.096 0.000 1.080 52 V HN 0.564 nan 8.190 nan 0.000 0.444 53 P HA -0.107 nan 4.420 nan 0.000 0.217 53 P C 0.421 177.758 177.300 0.062 0.000 1.148 53 P CA 1.194 64.323 63.100 0.047 0.000 0.828 53 P CB -0.085 31.634 31.700 0.031 0.000 0.783 54 N N 0.285 119.037 118.700 0.087 0.000 2.402 54 N HA 0.100 4.840 4.740 0.000 0.000 0.259 54 N C 0.896 176.488 175.510 0.138 0.000 1.167 54 N CA 0.132 53.258 53.050 0.126 0.000 0.949 54 N CB 0.411 39.014 38.487 0.194 0.000 1.212 54 N HN -0.099 nan 8.380 nan 0.000 0.493 55 A N 3.952 126.815 122.820 0.071 0.000 2.225 55 A HA -0.102 4.218 4.320 0.000 0.000 0.215 55 A C 1.261 178.829 177.584 -0.026 0.000 1.164 55 A CA 0.731 52.786 52.037 0.030 0.000 0.710 55 A CB -0.160 18.843 19.000 0.006 0.000 0.780 55 A HN 0.679 nan 8.150 nan 0.000 0.473 56 N N -1.118 117.555 118.700 -0.045 0.000 2.383 56 N HA 0.127 4.867 4.740 0.000 0.000 0.192 56 N C -1.062 174.163 175.510 -0.474 0.000 1.141 56 N CA 0.455 53.349 53.050 -0.260 0.000 0.851 56 N CB -0.002 38.322 38.487 -0.272 0.000 0.976 56 N HN 0.562 nan 8.380 nan 0.000 0.465 57 Y N -0.232 120.053 120.300 -0.025 0.000 2.477 57 Y HA 0.536 5.086 4.550 0.000 0.000 0.347 57 Y C -0.532 175.289 175.900 -0.132 0.000 0.981 57 Y CA -1.088 56.946 58.100 -0.110 0.000 1.033 57 Y CB 1.971 40.349 38.460 -0.137 0.000 1.245 57 Y HN -0.219 nan 8.280 nan 0.000 0.455 58 L N 3.381 124.535 121.223 -0.115 0.000 2.410 58 L HA 0.647 4.987 4.340 0.000 0.000 0.270 58 L C -2.010 174.729 176.870 -0.219 0.000 0.983 58 L CA -0.827 53.974 54.840 -0.065 0.000 0.822 58 L CB 1.054 43.059 42.059 -0.091 0.000 1.285 58 L HN 0.439 nan 8.230 nan 0.000 0.409 59 F N 4.762 124.763 119.950 0.085 0.000 2.388 59 F HA 0.582 5.109 4.527 0.000 0.000 0.358 59 F C -0.104 175.739 175.800 0.072 0.000 1.122 59 F CA -0.717 57.333 58.000 0.084 0.000 1.056 59 F CB 1.765 40.814 39.000 0.082 0.000 1.155 59 F HN 0.069 nan 8.300 nan 0.000 0.461 60 V N 3.148 123.168 119.914 0.177 0.000 2.357 60 V HA 0.274 4.395 4.120 0.000 0.000 0.284 60 V C -0.780 175.359 176.094 0.075 0.000 1.018 60 V CA -0.848 61.524 62.300 0.121 0.000 0.841 60 V CB 1.344 33.229 31.823 0.104 0.000 0.991 60 V HN 0.534 nan 8.190 nan 0.000 0.437 61 D N 5.148 125.592 120.400 0.072 0.000 2.280 61 D HA 0.594 5.235 4.640 0.000 0.000 0.243 61 D C -0.377 175.932 176.300 0.015 0.000 1.129 61 D CA 0.045 54.071 54.000 0.044 0.000 0.848 61 D CB 1.243 42.076 40.800 0.056 0.000 1.107 61 D HN 0.355 nan 8.370 nan 0.000 0.471 62 L N 1.653 122.872 121.223 -0.007 0.000 2.333 62 L HA 0.561 4.901 4.340 0.000 0.000 0.269 62 L C -0.007 176.871 176.870 0.014 0.000 1.010 62 L CA -1.054 53.781 54.840 -0.008 0.000 0.818 62 L CB 1.743 43.788 42.059 -0.022 0.000 1.306 62 L HN 0.205 nan 8.230 nan 0.000 0.430 63 E N 2.234 122.446 120.200 0.019 0.000 2.145 63 E HA 0.452 4.802 4.350 0.000 0.000 0.262 63 E C -1.213 175.424 176.600 0.062 0.000 0.883 63 E CA -0.221 56.198 56.400 0.032 0.000 0.748 63 E CB 1.089 30.796 29.700 0.011 0.000 1.140 63 E HN 0.393 nan 8.360 nan 0.000 0.417 64 I N 4.584 125.224 120.570 0.116 0.000 2.307 64 I HA 0.388 4.558 4.170 0.000 0.000 0.287 64 I C 0.886 177.089 176.117 0.145 0.000 1.054 64 I CA -0.678 60.727 61.300 0.176 0.000 1.218 64 I CB 1.374 39.554 38.000 0.301 0.000 1.398 64 I HN 0.569 nan 8.210 nan 0.000 0.475 65 G N 6.308 115.171 108.800 0.105 0.000 2.572 65 G HA2 0.240 4.200 3.960 0.000 0.000 0.261 65 G HA3 0.240 4.200 3.960 0.000 0.000 0.261 65 G C -1.835 173.121 174.900 0.094 0.000 1.197 65 G CA -1.049 44.097 45.100 0.076 0.000 0.870 65 G HN 0.398 nan 8.290 nan 0.000 0.548 66 P HA -0.066 nan 4.420 nan 0.000 0.225 66 P C 1.513 178.854 177.300 0.069 0.000 1.148 66 P CA 0.989 64.132 63.100 0.071 0.000 0.779 66 P CB 0.320 32.048 31.700 0.046 0.000 0.780 67 E N -0.320 119.914 120.200 0.055 0.000 2.442 67 E HA 0.066 4.416 4.350 0.000 0.000 0.195 67 E C 0.694 177.326 176.600 0.053 0.000 1.030 67 E CA 0.056 56.480 56.400 0.040 0.000 0.869 67 E CB -0.916 28.792 29.700 0.013 0.000 0.857 67 E HN 0.024 nan 8.360 nan 0.000 0.505 68 A N 1.901 124.779 122.820 0.097 0.000 2.524 68 A HA 0.057 4.377 4.320 0.000 0.000 0.250 68 A C 0.184 177.890 177.584 0.203 0.000 1.078 68 A CA 0.041 52.177 52.037 0.165 0.000 0.761 68 A CB 0.047 19.206 19.000 0.265 0.000 1.012 68 A HN 0.207 nan 8.150 nan 0.000 0.500 69 Q N 2.047 121.974 119.800 0.211 0.000 2.215 69 Q HA 0.396 4.736 4.340 0.000 0.000 0.256 69 Q C -2.380 173.813 176.000 0.322 0.000 0.972 69 Q CA -1.923 54.005 55.803 0.209 0.000 0.889 69 Q CB 0.833 29.648 28.738 0.128 0.000 1.281 69 Q HN 0.500 nan 8.270 nan 0.000 0.456 70 P HA 0.172 nan 4.420 nan 0.000 0.269 70 P C -0.256 177.180 177.300 0.227 0.000 1.215 70 P CA 0.281 63.501 63.100 0.200 0.000 0.780 70 P CB 0.582 32.359 31.700 0.128 0.000 0.898 71 G N -0.072 108.818 108.800 0.149 0.000 2.403 71 G HA2 0.430 4.390 3.960 0.000 0.000 0.223 71 G HA3 0.430 4.390 3.960 0.000 0.000 0.223 71 G C -1.311 173.568 174.900 -0.034 0.000 1.287 71 G CA 0.128 45.305 45.100 0.128 0.000 0.982 71 G HN 0.862 nan 8.290 nan 0.000 0.471 72 S N -1.192 114.467 115.700 -0.068 0.000 2.588 72 S HA 0.891 5.361 4.470 0.000 0.000 0.269 72 S C -1.233 173.282 174.600 -0.143 0.000 1.157 72 S CA -0.149 57.904 58.200 -0.246 0.000 0.824 72 S CB 1.905 64.985 63.200 -0.201 0.000 1.126 72 S HN 2.193 nan 8.310 nan 0.000 0.464 73 F N -0.891 118.944 119.950 -0.192 0.000 2.608 73 F HA 0.693 5.220 4.527 0.000 0.000 0.309 73 F C -1.110 174.696 175.800 0.011 0.000 1.103 73 F CA -0.995 56.959 58.000 -0.077 0.000 0.954 73 F CB 0.699 39.624 39.000 -0.124 0.000 1.267 73 F HN 0.414 nan 8.300 nan 0.000 0.444 74 D N 3.209 123.719 120.400 0.184 0.000 2.389 74 D HA 0.323 4.963 4.640 0.000 0.000 0.247 74 D C -0.050 176.362 176.300 0.188 0.000 1.128 74 D CA 0.429 54.498 54.000 0.115 0.000 0.884 74 D CB 1.740 42.582 40.800 0.069 0.000 1.194 74 D HN 0.548 nan 8.370 nan 0.000 0.441 75 I N 2.395 123.025 120.570 0.101 0.000 2.312 75 I HA 0.114 4.284 4.170 0.000 0.000 0.290 75 I C 0.185 176.081 176.117 -0.369 0.000 1.008 75 I CA -0.947 60.293 61.300 -0.100 0.000 1.226 75 I CB 1.417 39.339 38.000 -0.130 0.000 1.371 75 I HN 0.057 nan 8.210 nan 0.000 0.468 76 V N 4.341 124.030 119.914 -0.376 0.000 2.435 76 V HA 0.561 4.681 4.120 0.000 0.000 0.290 76 V C -0.877 174.949 176.094 -0.447 0.000 1.030 76 V CA -0.411 61.707 62.300 -0.302 0.000 0.881 76 V CB 1.253 33.019 31.823 -0.095 0.000 0.983 76 V HN 0.434 nan 8.190 nan 0.000 0.445 77 F N 3.671 123.644 119.950 0.037 0.000 2.388 77 F HA 0.651 5.178 4.527 0.000 0.000 0.358 77 F C 0.513 176.320 175.800 0.013 0.000 1.122 77 F CA -0.519 57.492 58.000 0.019 0.000 1.056 77 F CB 1.785 40.788 39.000 0.006 0.000 1.155 77 F HN 0.428 nan 8.300 nan 0.000 0.461 78 K N 2.405 122.897 120.400 0.154 0.000 2.292 78 K HA 0.832 5.153 4.320 0.000 0.000 0.257 78 K C -0.346 176.304 176.600 0.082 0.000 0.940 78 K CA -0.925 55.417 56.287 0.092 0.000 0.811 78 K CB 2.328 34.859 32.500 0.052 0.000 1.120 78 K HN 0.868 nan 8.250 nan 0.000 0.428 79 G N 1.429 110.265 108.800 0.060 0.000 2.655 79 G HA2 0.172 4.133 3.960 0.000 0.000 0.296 79 G HA3 0.172 4.133 3.960 0.000 0.000 0.296 79 G C -1.349 173.567 174.900 0.026 0.000 1.485 79 G CA -0.863 44.262 45.100 0.042 0.000 0.869 79 G HN 0.647 nan 8.290 nan 0.000 0.540 80 D N 0.179 120.591 120.400 0.020 0.000 2.720 80 D HA -0.200 4.440 4.640 0.000 0.000 0.229 80 D C 1.686 177.993 176.300 0.011 0.000 1.198 80 D CA 2.615 56.622 54.000 0.012 0.000 0.639 80 D CB -1.109 39.695 40.800 0.006 0.000 1.003 80 D HN 2.096 nan 8.370 nan 0.000 0.411 81 G N 0.585 109.393 108.800 0.014 0.000 3.078 81 G HA2 -0.447 3.513 3.960 0.000 0.000 0.227 81 G HA3 -0.447 3.513 3.960 0.000 0.000 0.227 81 G C 0.555 175.465 174.900 0.016 0.000 1.306 81 G CA 0.915 46.023 45.100 0.013 0.000 0.841 81 G HN 0.810 nan 8.290 nan 0.000 0.530 82 R N 0.621 121.130 120.500 0.015 0.000 2.827 82 R HA 0.579 4.919 4.340 0.000 0.000 0.269 82 R C -0.198 176.122 176.300 0.034 0.000 1.048 82 R CA 0.675 56.786 56.100 0.018 0.000 1.173 82 R CB 0.735 31.040 30.300 0.008 0.000 1.070 82 R HN 0.661 nan 8.270 nan 0.000 0.498 83 S N 0.299 116.023 115.700 0.040 0.000 2.619 83 S HA 0.280 4.750 4.470 0.000 0.000 0.280 83 S C -1.432 173.216 174.600 0.079 0.000 1.150 83 S CA -0.842 57.395 58.200 0.063 0.000 0.978 83 S CB 1.331 64.558 63.200 0.044 0.000 1.041 83 S HN 0.646 nan 8.310 nan 0.000 0.485 84 E N 2.301 122.587 120.200 0.143 0.000 2.281 84 E HA 0.586 4.937 4.350 0.000 0.000 0.262 84 E C -0.551 176.189 176.600 0.233 0.000 0.933 84 E CA -0.798 55.709 56.400 0.179 0.000 0.809 84 E CB 1.780 31.594 29.700 0.191 0.000 1.242 84 E HN 0.671 nan 8.360 nan 0.000 0.418 85 R N 0.674 121.303 120.500 0.215 0.000 2.626 85 R HA 0.435 4.775 4.340 0.000 0.000 0.274 85 R C -1.868 174.574 176.300 0.238 0.000 1.031 85 R CA -0.686 55.516 56.100 0.170 0.000 0.898 85 R CB 1.437 31.779 30.300 0.071 0.000 1.222 85 R HN 0.578 nan 8.270 nan 0.000 0.455 86 Y N 2.706 123.065 120.300 0.098 0.000 2.386 86 Y HA 0.419 4.969 4.550 0.000 0.000 0.334 86 Y C -0.960 174.956 175.900 0.026 0.000 1.002 86 Y CA -0.987 57.170 58.100 0.096 0.000 1.068 86 Y CB 1.267 39.854 38.460 0.212 0.000 1.203 86 Y HN 0.410 nan 8.280 nan 0.000 0.443 87 R N 5.345 125.630 120.500 -0.358 0.000 2.291 87 R HA 0.106 4.446 4.340 0.000 0.000 0.333 87 R C -1.814 174.339 176.300 -0.244 0.000 1.082 87 R CA -0.098 55.843 56.100 -0.266 0.000 0.948 87 R CB -0.720 29.399 30.300 -0.301 0.000 1.009 87 R HN 0.762 nan 8.270 nan 0.000 0.460 88 Y N 3.930 124.055 120.300 -0.291 0.000 2.367 88 Y HA 0.311 4.862 4.550 0.000 0.000 0.342 88 Y C 0.164 175.722 175.900 -0.570 0.000 0.979 88 Y CA -0.417 57.481 58.100 -0.336 0.000 1.161 88 Y CB 0.753 38.891 38.460 -0.537 0.000 1.155 88 Y HN 0.377 nan 8.280 nan 0.000 0.503 89 R N 4.621 124.744 120.500 -0.628 0.000 2.404 89 R HA 0.468 4.808 4.340 0.000 0.000 0.291 89 R C -1.569 174.565 176.300 -0.277 0.000 1.025 89 R CA -0.957 54.895 56.100 -0.413 0.000 0.991 89 R CB 0.936 31.014 30.300 -0.370 0.000 1.053 89 R HN 0.457 nan 8.270 nan 0.000 0.479 90 L N 4.061 125.208 121.223 -0.126 0.000 2.298 90 L HA 0.331 4.671 4.340 0.000 0.000 0.284 90 L C -1.058 175.783 176.870 -0.049 0.000 1.013 90 L CA -0.578 54.283 54.840 0.036 0.000 0.824 90 L CB 1.339 43.526 42.059 0.212 0.000 1.221 90 L HN 0.388 nan 8.230 nan 0.000 0.418 91 L N 2.926 124.033 121.223 -0.192 0.000 2.399 91 L HA 0.682 5.022 4.340 0.000 0.000 0.265 91 L C 0.555 177.507 176.870 0.138 0.000 1.089 91 L CA -0.352 54.404 54.840 -0.140 0.000 0.802 91 L CB 0.975 42.804 42.059 -0.384 0.000 1.180 91 L HN 0.671 nan 8.230 nan 0.000 0.454 92 A N 2.233 125.144 122.820 0.151 0.000 2.354 92 A HA 0.531 4.852 4.320 0.000 0.000 0.269 92 A C 0.243 177.984 177.584 0.261 0.000 1.109 92 A CA -0.449 51.698 52.037 0.183 0.000 0.800 92 A CB 0.114 19.178 19.000 0.108 0.000 1.045 92 A HN 0.671 nan 8.150 nan 0.000 0.489 93 R N 1.092 121.712 120.500 0.200 0.000 2.459 93 R HA 0.255 4.595 4.340 0.000 0.000 0.281 93 R C -0.189 176.135 176.300 0.040 0.000 1.050 93 R CA -0.493 55.663 56.100 0.093 0.000 1.055 93 R CB 0.724 31.027 30.300 0.004 0.000 1.045 93 R HN 0.857 nan 8.270 nan 0.000 0.495 94 E N 1.454 121.650 120.200 -0.007 0.000 2.437 94 E HA -0.115 4.235 4.350 0.000 0.000 0.263 94 E C -0.514 176.079 176.600 -0.010 0.000 1.030 94 E CA 0.364 56.757 56.400 -0.012 0.000 0.934 94 E CB 0.600 30.276 29.700 -0.040 0.000 0.943 94 E HN 0.259 nan 8.360 nan 0.000 0.444 95 Q N 1.536 121.334 119.800 -0.004 0.000 2.330 95 Q HA 0.177 4.517 4.340 0.000 0.000 0.279 95 Q C 0.730 176.724 176.000 -0.010 0.000 1.024 95 Q CA 1.141 56.943 55.803 -0.003 0.000 0.900 95 Q CB 0.423 29.161 28.738 -0.001 0.000 1.221 95 Q HN 0.847 nan 8.270 nan 0.000 0.396 96 G N 1.944 110.740 108.800 -0.007 0.000 2.168 96 G HA2 -0.366 3.594 3.960 0.000 0.000 0.263 96 G HA3 -0.366 3.594 3.960 0.000 0.000 0.263 96 G C 0.846 175.743 174.900 -0.005 0.000 0.977 96 G CA 0.726 45.822 45.100 -0.007 0.000 0.659 96 G HN 0.675 nan 8.290 nan 0.000 0.533 97 S N 0.053 115.747 115.700 -0.011 0.000 2.359 97 S HA 0.051 4.521 4.470 0.000 0.000 0.224 97 S C 2.817 177.462 174.600 0.075 0.000 1.035 97 S CA 2.121 60.320 58.200 -0.002 0.000 1.018 97 S CB -0.381 62.789 63.200 -0.049 0.000 0.876 97 S HN 1.692 nan 8.310 nan 0.000 0.448 98 A N 0.477 123.314 122.820 0.028 0.000 1.969 98 A HA 0.025 4.345 4.320 0.000 0.000 0.218 98 A C 2.046 179.672 177.584 0.070 0.000 1.169 98 A CA 1.129 53.174 52.037 0.013 0.000 0.635 98 A CB -0.383 18.565 19.000 -0.087 0.000 0.810 98 A HN 0.582 nan 8.150 nan 0.000 0.445 99 Q N 0.140 119.962 119.800 0.038 0.000 2.280 99 Q HA 0.024 4.364 4.340 0.000 0.000 0.202 99 Q C 0.018 176.033 176.000 0.024 0.000 0.903 99 Q CA -0.074 55.745 55.803 0.026 0.000 0.948 99 Q CB -0.119 28.621 28.738 0.004 0.000 1.058 99 Q HN 0.843 nan 8.270 nan 0.000 0.493 100 R N 0.554 121.077 120.500 0.038 0.000 2.523 100 R HA -0.017 4.324 4.340 0.000 0.000 0.281 100 R C 0.020 176.310 176.300 -0.018 0.000 0.969 100 R CA 0.052 56.150 56.100 -0.004 0.000 1.093 100 R CB 0.134 30.413 30.300 -0.035 0.000 0.917 100 R HN -0.212 nan 8.270 nan 0.000 0.408 101 Q N 2.412 122.193 119.800 -0.030 0.000 2.288 101 Q HA 0.289 4.629 4.340 0.000 0.000 0.258 101 Q C -0.263 175.704 176.000 -0.055 0.000 0.957 101 Q CA 0.310 56.087 55.803 -0.042 0.000 0.919 101 Q CB 1.526 30.242 28.738 -0.037 0.000 1.185 101 Q HN 0.787 nan 8.270 nan 0.000 0.408 102 G N 2.822 111.564 108.800 -0.096 0.000 2.562 102 G HA2 0.390 4.350 3.960 0.000 0.000 0.275 102 G HA3 0.390 4.350 3.960 0.000 0.000 0.275 102 G C -0.733 174.085 174.900 -0.137 0.000 1.196 102 G CA -0.708 44.303 45.100 -0.147 0.000 0.908 102 G HN 0.731 nan 8.290 nan 0.000 0.524 103 F N -0.195 119.721 119.950 -0.057 0.000 2.563 103 F HA 0.582 5.109 4.527 0.000 0.000 0.363 103 F C 0.551 176.312 175.800 -0.065 0.000 1.123 103 F CA -0.635 57.331 58.000 -0.057 0.000 1.307 103 F CB 0.399 39.372 39.000 -0.045 0.000 1.115 103 F HN 0.584 nan 8.300 nan 0.000 0.592 104 G N 2.091 110.930 108.800 0.064 0.000 3.022 104 G HA2 0.527 4.487 3.960 0.000 0.000 0.284 104 G HA3 0.527 4.487 3.960 0.000 0.000 0.284 104 G C -2.673 172.218 174.900 -0.014 0.000 1.375 104 G CA -1.587 43.490 45.100 -0.038 0.000 0.902 104 G HN 0.290 nan 8.290 nan 0.000 0.538 105 P HA -0.029 nan 4.420 nan 0.000 0.220 105 P C 1.759 178.894 177.300 -0.276 0.000 1.144 105 P CA 1.649 64.691 63.100 -0.095 0.000 0.800 105 P CB 0.167 31.830 31.700 -0.061 0.000 0.772 106 G N -1.521 107.027 108.800 -0.420 0.000 2.572 106 G HA2 -0.068 3.892 3.960 0.000 0.000 0.216 106 G HA3 -0.068 3.892 3.960 0.000 0.000 0.216 106 G C 0.471 175.062 174.900 -0.516 0.000 1.133 106 G CA 0.124 44.652 45.100 -0.953 0.000 0.791 106 G HN 0.219 nan 8.290 nan 0.000 0.538 107 D N 0.174 120.449 120.400 -0.208 0.000 2.348 107 D HA 0.549 5.189 4.640 0.000 0.000 0.249 107 D C -0.214 176.078 176.300 -0.013 0.000 1.110 107 D CA 0.103 54.064 54.000 -0.064 0.000 0.967 107 D CB 1.863 42.694 40.800 0.052 0.000 1.139 107 D HN 0.112 nan 8.370 nan 0.000 0.466 108 A N 1.421 124.280 122.820 0.064 0.000 2.359 108 A HA 0.550 4.870 4.320 0.000 0.000 0.303 108 A C -0.530 177.284 177.584 0.383 0.000 1.066 108 A CA -0.632 51.520 52.037 0.192 0.000 0.730 108 A CB 0.664 19.707 19.000 0.071 0.000 1.211 108 A HN 0.463 nan 8.150 nan 0.000 0.439 109 I N 1.969 122.741 120.570 0.336 0.000 2.353 109 I HA 0.242 4.412 4.170 0.000 0.000 0.293 109 I C -0.836 175.393 176.117 0.186 0.000 0.992 109 I CA -0.483 60.951 61.300 0.224 0.000 1.268 109 I CB 1.236 39.276 38.000 0.067 0.000 1.387 109 I HN 0.711 nan 8.210 nan 0.000 0.478 110 Y N 6.536 126.732 120.300 -0.173 0.000 2.342 110 Y HA 0.283 4.833 4.550 0.000 0.000 0.338 110 Y C -0.096 175.648 175.900 -0.260 0.000 0.965 110 Y CA -0.353 57.452 58.100 -0.492 0.000 1.159 110 Y CB 0.912 38.916 38.460 -0.760 0.000 1.157 110 Y HN 0.508 nan 8.280 nan 0.000 0.486 111 Q N 7.731 127.216 119.800 -0.524 0.000 2.241 111 Q HA 0.604 4.944 4.340 0.000 0.000 0.254 111 Q C -0.985 174.603 176.000 -0.687 0.000 0.917 111 Q CA -0.609 54.828 55.803 -0.609 0.000 0.919 111 Q CB 1.161 29.460 28.738 -0.730 0.000 1.237 111 Q HN 0.901 nan 8.270 nan 0.000 0.434 115 D N -0.061 120.563 120.400 0.373 0.000 2.312 115 D HA -0.037 4.604 4.640 0.000 0.000 0.211 115 D C 1.466 178.093 176.300 0.545 0.000 0.964 115 D CA 0.903 55.228 54.000 0.543 0.000 0.877 115 D CB 0.356 41.478 40.800 0.536 0.000 0.924 115 D HN -0.024 nan 8.370 nan 0.000 0.515 116 R N -0.887 119.912 120.500 0.498 0.000 2.437 116 R HA 0.115 4.455 4.340 0.000 0.000 0.257 116 R C 0.759 177.501 176.300 0.736 0.000 0.927 116 R CA -0.135 56.326 56.100 0.602 0.000 1.078 116 R CB -0.058 30.474 30.300 0.386 0.000 1.161 116 R HN 0.264 nan 8.270 nan 0.000 0.529 117 F N 0.649 120.813 119.950 0.357 0.000 2.287 117 F HA 0.453 4.980 4.527 0.000 0.000 0.276 117 F C -0.071 175.805 175.800 0.128 0.000 1.047 117 F CA 0.040 58.181 58.000 0.234 0.000 1.194 117 F CB 0.205 39.248 39.000 0.072 0.000 1.118 117 F HN -0.151 nan 8.300 nan 0.000 0.556 118 A N 0.872 123.531 122.820 -0.268 0.000 2.429 118 A HA 0.402 4.722 4.320 0.000 0.000 0.289 118 A C -1.458 175.802 177.584 -0.540 0.000 1.043 118 A CA -0.632 51.061 52.037 -0.574 0.000 0.722 118 A CB 0.329 19.040 19.000 -0.481 0.000 1.243 118 A HN 0.260 nan 8.150 nan 0.000 0.415 119 N N 2.338 120.481 118.700 -0.929 0.000 2.719 119 N HA 0.232 4.972 4.740 0.000 0.000 0.243 119 N C 1.129 176.432 175.510 -0.345 0.000 1.104 119 N CA 0.522 53.189 53.050 -0.639 0.000 0.981 119 N CB 0.963 38.865 38.487 -0.976 0.000 1.290 119 N HN 0.754 nan 8.380 nan 0.000 0.513 120 G N 1.022 109.702 108.800 -0.200 0.000 2.572 120 G HA2 -0.111 3.850 3.960 0.000 0.000 0.216 120 G HA3 -0.111 3.850 3.960 0.000 0.000 0.216 120 G C 0.081 174.927 174.900 -0.090 0.000 1.133 120 G CA 0.174 45.188 45.100 -0.143 0.000 0.791 120 G HN 0.542 nan 8.290 nan 0.000 0.538 121 D N -1.276 119.086 120.400 -0.064 0.000 2.375 121 D HA 0.323 4.963 4.640 0.000 0.000 0.241 121 D C -2.170 174.127 176.300 -0.006 0.000 1.361 121 D CA -1.857 52.128 54.000 -0.025 0.000 0.995 121 D CB 2.077 42.876 40.800 -0.002 0.000 1.312 121 D HN -0.126 nan 8.370 nan 0.000 0.576 122 P HA -0.052 nan 4.420 nan 0.000 0.225 122 P C 1.238 178.559 177.300 0.035 0.000 1.156 122 P CA 0.667 63.788 63.100 0.035 0.000 0.787 122 P CB 0.220 31.946 31.700 0.042 0.000 0.802 123 S N 0.177 115.890 115.700 0.022 0.000 2.481 123 S HA -0.104 4.366 4.470 0.000 0.000 0.231 123 S C 1.487 176.098 174.600 0.018 0.000 0.996 123 S CA 0.953 59.165 58.200 0.019 0.000 0.942 123 S CB -1.304 61.905 63.200 0.014 0.000 0.768 123 S HN 0.190 nan 8.310 nan 0.000 0.520 124 N N 0.684 119.397 118.700 0.021 0.000 2.230 124 N HA 0.108 4.849 4.740 0.000 0.000 0.202 124 N C 0.257 175.772 175.510 0.008 0.000 1.119 124 N CA 0.254 53.312 53.050 0.014 0.000 0.851 124 N CB -0.354 38.146 38.487 0.022 0.000 0.990 124 N HN 0.123 nan 8.380 nan 0.000 0.497 125 D N 0.282 120.700 120.400 0.029 0.000 2.149 125 D HA -0.062 4.578 4.640 0.000 0.000 0.198 125 D C -0.196 176.111 176.300 0.011 0.000 0.990 125 D CA 1.218 55.245 54.000 0.045 0.000 0.839 125 D CB -0.024 40.828 40.800 0.086 0.000 0.948 125 D HN 0.288 nan 8.370 nan 0.000 0.460 126 N N -0.517 118.186 118.700 0.004 0.000 2.238 126 N HA 0.410 5.150 4.740 0.000 0.000 0.302 126 N C -1.227 174.273 175.510 -0.016 0.000 1.072 126 N CA -0.413 52.630 53.050 -0.012 0.000 0.792 126 N CB 3.047 41.530 38.487 -0.007 0.000 1.425 126 N HN -0.261 nan 8.380 nan 0.000 0.478 127 V N 1.181 121.079 119.914 -0.026 0.000 2.760 127 V HA 0.395 4.516 4.120 0.000 0.000 0.309 127 V C 1.211 177.292 176.094 -0.022 0.000 1.077 127 V CA -0.670 61.617 62.300 -0.021 0.000 0.910 127 V CB 1.698 33.506 31.823 -0.024 0.000 1.008 127 V HN 0.838 nan 8.190 nan 0.000 0.424 128 A N 3.647 126.458 122.820 -0.015 0.000 1.894 128 A HA -0.116 4.204 4.320 0.000 0.000 0.220 128 A C 1.568 179.139 177.584 -0.021 0.000 1.237 128 A CA 2.282 54.310 52.037 -0.016 0.000 0.660 128 A CB -1.190 17.804 19.000 -0.011 0.000 0.835 128 A HN 1.367 nan 8.150 nan 0.000 0.461 132 E N 2.517 122.646 120.200 -0.119 0.000 2.265 132 E HA 0.046 4.396 4.350 0.000 0.000 0.272 132 E C -0.802 175.744 176.600 -0.090 0.000 1.067 132 E CA 0.034 56.364 56.400 -0.116 0.000 0.900 132 E CB 0.872 30.496 29.700 -0.127 0.000 1.017 132 E HN -0.014 nan 8.360 nan 0.000 0.431 133 Q N 1.958 121.708 119.800 -0.083 0.000 2.312 133 Q HA 0.596 4.936 4.340 0.000 0.000 0.236 133 Q C -1.421 174.542 176.000 -0.062 0.000 0.965 133 Q CA -0.136 55.631 55.803 -0.060 0.000 0.894 133 Q CB 1.727 30.433 28.738 -0.053 0.000 1.225 133 Q HN 0.568 nan 8.270 nan 0.000 0.478 134 A N 2.274 125.075 122.820 -0.032 0.000 2.574 134 A HA 0.672 4.992 4.320 0.000 0.000 0.297 134 A C -1.593 176.000 177.584 0.015 0.000 1.062 134 A CA -0.670 51.356 52.037 -0.018 0.000 0.686 134 A CB 1.672 20.674 19.000 0.002 0.000 1.285 134 A HN 0.671 nan 8.150 nan 0.000 0.403 135 D N -0.424 119.985 120.400 0.015 0.000 2.581 135 D HA 0.404 5.044 4.640 0.000 0.000 0.232 135 D C 0.879 177.159 176.300 -0.034 0.000 1.143 135 D CA -0.578 53.422 54.000 -0.000 0.000 0.881 135 D CB 1.956 42.740 40.800 -0.027 0.000 1.500 135 D HN 0.537 nan 8.370 nan 0.000 0.458 136 R N 0.587 120.962 120.500 -0.208 0.000 2.091 136 R HA -0.109 4.231 4.340 0.000 0.000 0.238 136 R C 1.870 177.816 176.300 -0.589 0.000 1.136 136 R CA 1.073 56.752 56.100 -0.702 0.000 0.959 136 R CB -0.021 29.838 30.300 -0.736 0.000 0.856 136 R HN 0.295 nan 8.270 nan 0.000 0.437 137 R N -0.049 120.285 120.500 -0.277 0.000 2.204 137 R HA -0.135 4.206 4.340 0.000 0.000 0.253 137 R C 0.970 177.223 176.300 -0.077 0.000 1.172 137 R CA 0.914 56.914 56.100 -0.167 0.000 0.994 137 R CB -0.479 29.766 30.300 -0.092 0.000 0.874 137 R HN 0.331 nan 8.270 nan 0.000 0.462 138 H N -0.303 118.718 119.070 -0.081 0.000 2.562 138 H HA 0.077 4.633 4.556 0.000 0.000 0.314 138 H C 0.993 176.359 175.328 0.063 0.000 1.079 138 H CA 0.057 56.097 56.048 -0.013 0.000 1.349 138 H CB 1.486 31.232 29.762 -0.026 0.000 1.432 138 H HN 0.162 nan 8.280 nan 0.000 0.479 139 G N 2.765 111.517 108.800 -0.081 0.000 2.479 139 G HA2 -0.198 3.762 3.960 0.000 0.000 0.220 139 G HA3 -0.198 3.762 3.960 0.000 0.000 0.220 139 G C 1.186 176.116 174.900 0.050 0.000 1.115 139 G CA 0.653 45.758 45.100 0.009 0.000 0.757 139 G HN 0.654 nan 8.290 nan 0.000 0.560 140 G N -0.479 108.546 108.800 0.374 0.000 3.651 140 G HA2 0.507 4.467 3.960 0.000 0.000 0.279 140 G HA3 0.507 4.467 3.960 0.000 0.000 0.279 140 G C 0.581 175.519 174.900 0.063 0.000 1.024 140 G CA 0.413 45.731 45.100 0.365 0.000 0.813 140 G HN 0.562 nan 8.290 nan 0.000 0.518 141 G N -0.024 108.788 108.800 0.020 0.000 2.535 141 G HA2 0.525 4.486 3.960 0.000 0.000 0.303 141 G HA3 0.525 4.486 3.960 0.000 0.000 0.303 141 G C -0.384 174.463 174.900 -0.087 0.000 1.237 141 G CA -0.994 44.072 45.100 -0.057 0.000 0.986 141 G HN 0.242 nan 8.290 nan 0.000 0.494 142 R N -0.359 120.169 120.500 0.046 0.000 2.196 142 R HA 0.238 4.578 4.340 0.000 0.000 0.340 142 R C 0.263 176.721 176.300 0.263 0.000 1.043 142 R CA -0.291 55.879 56.100 0.117 0.000 0.883 142 R CB 0.828 31.176 30.300 0.079 0.000 1.078 142 R HN 0.737 nan 8.270 nan 0.000 0.462 143 H N 1.276 120.435 119.070 0.150 0.000 2.548 143 H HA 0.056 4.612 4.556 0.000 0.000 0.268 143 H C 1.210 176.837 175.328 0.499 0.000 0.975 143 H CA 0.284 56.442 56.048 0.184 0.000 1.195 143 H CB 0.628 30.406 29.762 0.027 0.000 1.397 143 H HN 1.031 nan 8.280 nan 0.000 0.572 144 G N 0.604 109.726 108.800 0.538 0.000 2.163 144 G HA2 -0.223 3.737 3.960 0.000 0.000 0.213 144 G HA3 -0.223 3.737 3.960 0.000 0.000 0.213 144 G C 0.688 175.772 174.900 0.306 0.000 0.991 144 G CA -0.191 45.148 45.100 0.399 0.000 0.653 144 G HN 0.641 nan 8.290 nan 0.000 0.518 145 G N 0.374 109.424 108.800 0.418 0.000 2.484 145 G HA2 0.547 4.507 3.960 0.000 0.000 0.235 145 G HA3 0.547 4.507 3.960 0.000 0.000 0.235 145 G C 0.016 175.089 174.900 0.289 0.000 1.282 145 G CA 1.018 46.228 45.100 0.183 0.000 0.857 145 G HN 1.107 nan 8.290 nan 0.000 0.571 146 D N -0.270 120.243 120.400 0.188 0.000 2.643 146 D HA 0.218 4.858 4.640 0.000 0.000 0.283 146 D C 1.027 177.431 176.300 0.172 0.000 1.242 146 D CA -0.909 53.257 54.000 0.277 0.000 0.863 146 D CB 0.449 41.355 40.800 0.177 0.000 1.382 146 D HN 0.195 nan 8.370 nan 0.000 0.444 147 I N -0.814 119.864 120.570 0.180 0.000 2.226 147 I HA -0.197 3.973 4.170 0.000 0.000 0.245 147 I C 2.425 178.592 176.117 0.084 0.000 1.100 147 I CA 1.022 62.400 61.300 0.131 0.000 1.374 147 I CB -0.202 37.899 38.000 0.168 0.000 1.057 147 I HN 0.360 nan 8.210 nan 0.000 0.413 148 R N 1.474 122.011 120.500 0.061 0.000 2.103 148 R HA -0.156 4.184 4.340 0.000 0.000 0.242 148 R C 2.170 178.447 176.300 -0.039 0.000 1.142 148 R CA 1.878 57.982 56.100 0.006 0.000 0.960 148 R CB -1.110 29.186 30.300 -0.006 0.000 0.858 148 R HN 0.395 nan 8.270 nan 0.000 0.439 149 G N -1.547 107.233 108.800 -0.033 0.000 2.418 149 G HA2 -0.220 3.740 3.960 0.000 0.000 0.217 149 G HA3 -0.220 3.740 3.960 0.000 0.000 0.217 149 G C 1.365 176.283 174.900 0.029 0.000 1.158 149 G CA 1.195 46.248 45.100 -0.079 0.000 0.771 149 G HN 0.412 nan 8.290 nan 0.000 0.545 150 T N 1.347 115.999 114.554 0.164 0.000 2.708 150 T HA -0.038 4.312 4.350 0.000 0.000 0.266 150 T C 2.381 177.175 174.700 0.156 0.000 1.037 150 T CA 0.903 63.191 62.100 0.312 0.000 1.146 150 T CB -0.168 68.831 68.868 0.217 0.000 0.865 150 T HN 0.231 nan 8.240 nan 0.000 0.435 151 I N 1.351 121.947 120.570 0.044 0.000 2.286 151 I HA -0.172 3.998 4.170 0.000 0.000 0.248 151 I C 1.888 177.953 176.117 -0.086 0.000 1.115 151 I CA 1.156 62.449 61.300 -0.011 0.000 1.392 151 I CB -0.396 37.590 38.000 -0.023 0.000 1.065 151 I HN 0.135 nan 8.210 nan 0.000 0.418 152 D N -0.337 119.938 120.400 -0.208 0.000 2.378 152 D HA -0.124 4.516 4.640 0.000 0.000 0.222 152 D C 1.310 177.183 176.300 -0.711 0.000 0.980 152 D CA 1.127 54.849 54.000 -0.463 0.000 0.907 152 D CB -0.107 40.307 40.800 -0.643 0.000 0.899 152 D HN 0.435 nan 8.370 nan 0.000 0.527 153 H N -0.923 118.102 119.070 -0.075 0.000 2.767 153 H HA 0.241 4.797 4.556 0.000 0.000 0.260 153 H C 1.822 177.261 175.328 0.185 0.000 1.172 153 H CA -0.171 55.870 56.048 -0.013 0.000 1.048 153 H CB 0.421 30.073 29.762 -0.183 0.000 1.697 153 H HN 0.090 nan 8.280 nan 0.000 0.606 154 L N 0.184 121.504 121.223 0.161 0.000 2.046 154 L HA -0.162 4.178 4.340 0.000 0.000 0.208 154 L C 1.946 178.881 176.870 0.109 0.000 1.077 154 L CA 1.311 56.221 54.840 0.116 0.000 0.747 154 L CB -0.055 42.031 42.059 0.045 0.000 0.896 154 L HN 0.126 nan 8.230 nan 0.000 0.432 155 D N -0.937 119.528 120.400 0.109 0.000 2.178 155 D HA -0.238 4.402 4.640 0.000 0.000 0.201 155 D C 1.888 178.282 176.300 0.157 0.000 0.980 155 D CA 1.328 55.388 54.000 0.101 0.000 0.842 155 D CB -0.047 40.803 40.800 0.082 0.000 0.948 155 D HN 0.397 nan 8.370 nan 0.000 0.472 156 Y N 1.536 121.924 120.300 0.146 0.000 2.200 156 Y HA -0.116 4.434 4.550 0.000 0.000 0.290 156 Y C 2.179 178.137 175.900 0.097 0.000 1.137 156 Y CA 1.136 59.354 58.100 0.197 0.000 1.163 156 Y CB -0.365 38.347 38.460 0.420 0.000 0.988 156 Y HN -0.143 nan 8.280 nan 0.000 0.518 157 I N 0.374 120.918 120.570 -0.042 0.000 2.163 157 I HA -0.289 3.881 4.170 0.000 0.000 0.240 157 I C 2.721 178.748 176.117 -0.150 0.000 1.081 157 I CA 1.276 62.387 61.300 -0.315 0.000 1.353 157 I CB -0.846 37.005 38.000 -0.249 0.000 1.054 157 I HN 0.348 nan 8.210 nan 0.000 0.407 158 A N 1.026 123.818 122.820 -0.047 0.000 1.908 158 A HA -0.154 4.167 4.320 0.000 0.000 0.218 158 A C 2.433 179.986 177.584 -0.053 0.000 1.181 158 A CA 1.956 53.981 52.037 -0.021 0.000 0.627 158 A CB -1.505 17.495 19.000 0.000 0.000 0.818 158 A HN 0.482 nan 8.150 nan 0.000 0.445 159 G N -0.125 108.639 108.800 -0.059 0.000 2.440 159 G HA2 -0.214 3.746 3.960 0.000 0.000 0.218 159 G HA3 -0.214 3.746 3.960 0.000 0.000 0.218 159 G C 1.450 176.278 174.900 -0.120 0.000 1.154 159 G CA 1.041 46.105 45.100 -0.060 0.000 0.767 159 G HN 0.457 nan 8.290 nan 0.000 0.552 160 L N 0.233 121.324 121.223 -0.221 0.000 2.450 160 L HA 0.114 4.454 4.340 0.000 0.000 0.224 160 L C 2.184 178.883 176.870 -0.285 0.000 1.149 160 L CA 0.790 55.494 54.840 -0.226 0.000 0.816 160 L CB -0.166 41.767 42.059 -0.211 0.000 0.932 160 L HN 0.486 nan 8.230 nan 0.000 0.449 161 G N -1.319 107.334 108.800 -0.246 0.000 2.168 161 G HA2 -0.240 3.720 3.960 0.000 0.000 0.197 161 G HA3 -0.240 3.720 3.960 0.000 0.000 0.197 161 G C 0.021 174.684 174.900 -0.396 0.000 0.997 161 G CA -0.649 44.271 45.100 -0.300 0.000 0.658 161 G HN 0.111 nan 8.290 nan 0.000 0.513 162 F N 1.175 121.061 119.950 -0.107 0.000 2.375 162 F HA 0.564 5.092 4.527 0.000 0.000 0.333 162 F C 1.635 177.407 175.800 -0.047 0.000 1.104 162 F CA 0.681 58.646 58.000 -0.060 0.000 1.149 162 F CB 1.836 40.803 39.000 -0.055 0.000 1.190 162 F HN 0.089 nan 8.300 nan 0.000 0.533 163 T N -2.012 112.641 114.554 0.165 0.000 3.111 163 T HA 0.290 4.640 4.350 0.000 0.000 0.284 163 T C -0.060 174.686 174.700 0.076 0.000 0.983 163 T CA -0.249 61.897 62.100 0.076 0.000 0.900 163 T CB 0.088 68.970 68.868 0.024 0.000 1.132 163 T HN 0.409 nan 8.240 nan 0.000 0.531 164 Q N 0.918 120.785 119.800 0.110 0.000 2.345 164 Q HA 0.577 4.917 4.340 0.000 0.000 0.275 164 Q C -1.947 174.098 176.000 0.074 0.000 1.063 164 Q CA -0.737 55.102 55.803 0.060 0.000 0.819 164 Q CB 3.025 31.763 28.738 0.000 0.000 1.356 164 Q HN 0.309 nan 8.270 nan 0.000 0.418 165 L N 2.843 124.092 121.223 0.044 0.000 2.305 165 L HA 0.597 4.937 4.340 0.000 0.000 0.284 165 L C -1.690 175.233 176.870 0.089 0.000 1.013 165 L CA -0.296 54.572 54.840 0.047 0.000 0.819 165 L CB 1.027 43.090 42.059 0.006 0.000 1.227 165 L HN 0.692 nan 8.230 nan 0.000 0.417 166 W N 9.927 131.148 121.300 -0.132 0.000 2.363 166 W HA 0.627 5.287 4.660 0.000 0.000 0.314 166 W C -2.769 173.659 176.519 -0.151 0.000 0.994 166 W CA -2.911 54.347 57.345 -0.146 0.000 1.449 166 W CB 0.796 30.148 29.460 -0.180 0.000 1.248 166 W HN 0.401 nan 8.180 nan 0.000 0.409 167 P HA 0.231 nan 4.420 nan 0.000 0.288 167 P C 0.330 177.513 177.300 -0.196 0.000 1.267 167 P CA 0.026 62.978 63.100 -0.247 0.000 0.815 167 P CB 1.580 33.208 31.700 -0.120 0.000 0.989 168 T N 0.493 114.820 114.554 -0.377 0.000 2.734 168 T HA 0.201 4.551 4.350 0.000 0.000 0.314 168 T C -2.278 172.254 174.700 -0.280 0.000 1.057 168 T CA -1.511 60.423 62.100 -0.278 0.000 1.047 168 T CB -1.356 67.248 68.868 -0.441 0.000 0.991 168 T HN 0.251 nan 8.240 nan 0.000 0.540 169 P HA 0.164 nan 4.420 nan 0.000 0.264 169 P C -0.105 177.012 177.300 -0.305 0.000 1.193 169 P CA -0.059 62.849 63.100 -0.320 0.000 0.763 169 P CB 0.196 31.677 31.700 -0.366 0.000 0.810 170 L N 3.347 124.364 121.223 -0.343 0.000 2.640 170 L HA 0.127 4.468 4.340 0.000 0.000 0.230 170 L C 0.870 177.676 176.870 -0.105 0.000 1.123 170 L CA 0.180 54.837 54.840 -0.305 0.000 0.900 170 L CB 0.210 41.986 42.059 -0.472 0.000 1.146 170 L HN 0.180 nan 8.230 nan 0.000 0.484 171 V N 1.080 120.886 119.914 -0.180 0.000 2.740 171 V HA -0.039 4.081 4.120 0.000 0.000 0.303 171 V C 0.909 177.002 176.094 -0.001 0.000 1.054 171 V CA -0.270 61.982 62.300 -0.081 0.000 1.106 171 V CB 0.915 32.696 31.823 -0.071 0.000 0.957 171 V HN 0.363 nan 8.190 nan 0.000 0.486 172 E N 5.493 125.707 120.200 0.025 0.000 2.966 172 E HA -0.137 4.213 4.350 0.000 0.000 0.254 172 E C -0.150 176.425 176.600 -0.041 0.000 0.923 172 E CA 0.564 56.962 56.400 -0.004 0.000 0.960 172 E CB 0.040 29.738 29.700 -0.004 0.000 0.901 172 E HN 0.714 nan 8.360 nan 0.000 0.525 173 N N 4.963 123.639 118.700 -0.041 0.000 2.804 173 N HA 0.021 4.761 4.740 0.000 0.000 0.251 173 N C -1.246 174.230 175.510 -0.057 0.000 1.250 173 N CA -0.372 52.653 53.050 -0.042 0.000 0.820 173 N CB 0.731 39.188 38.487 -0.050 0.000 1.156 173 N HN 0.402 nan 8.380 nan 0.000 0.512 174 D N 1.975 122.345 120.400 -0.050 0.000 2.994 174 D HA 0.175 4.815 4.640 0.000 0.000 0.240 174 D C 0.014 176.236 176.300 -0.129 0.000 1.195 174 D CA -0.240 53.712 54.000 -0.080 0.000 0.957 174 D CB -0.168 40.594 40.800 -0.063 0.000 1.105 174 D HN 0.437 nan 8.370 nan 0.000 0.477 175 A N 0.237 122.999 122.820 -0.096 0.000 2.286 175 A HA 0.616 4.936 4.320 0.000 0.000 0.286 175 A C 1.458 178.929 177.584 -0.189 0.000 1.097 175 A CA 0.079 52.060 52.037 -0.093 0.000 0.821 175 A CB 0.917 19.944 19.000 0.045 0.000 1.076 175 A HN 0.346 nan 8.150 nan 0.000 0.490 176 A N 0.664 123.364 122.820 -0.200 0.000 1.929 176 A HA 0.439 4.759 4.320 0.000 0.000 0.216 176 A C 1.193 178.695 177.584 -0.137 0.000 1.176 176 A CA 1.776 53.717 52.037 -0.160 0.000 0.628 176 A CB -0.399 18.558 19.000 -0.070 0.000 0.816 176 A HN 2.077 nan 8.150 nan 0.000 0.444 177 A N -3.362 119.401 122.820 -0.096 0.000 2.475 177 A HA 0.582 4.902 4.320 0.000 0.000 0.301 177 A C -0.346 177.176 177.584 -0.104 0.000 1.059 177 A CA -0.567 51.315 52.037 -0.257 0.000 0.710 177 A CB 0.322 19.142 19.000 -0.299 0.000 1.288 177 A HN 0.960 nan 8.150 nan 0.000 0.408 178 Y N 0.528 120.851 120.300 0.039 0.000 3.477 178 Y HA -0.267 4.283 4.550 0.000 0.000 0.216 178 Y C 1.727 177.527 175.900 -0.168 0.000 1.296 178 Y CA 0.931 59.093 58.100 0.104 0.000 1.535 178 Y CB -2.424 36.156 38.460 0.200 0.000 1.482 178 Y HN 1.041 nan 8.280 nan 0.000 0.597 179 S N -1.498 114.182 115.700 -0.034 0.000 2.527 179 S HA -0.111 4.359 4.470 0.000 0.000 0.222 179 S C 1.702 176.210 174.600 -0.154 0.000 0.985 179 S CA 0.534 58.649 58.200 -0.141 0.000 0.921 179 S CB -0.504 62.643 63.200 -0.089 0.000 0.772 179 S HN 0.640 nan 8.310 nan 0.000 0.529 180 Y N 3.213 123.427 120.300 -0.143 0.000 2.242 180 Y HA -0.108 4.442 4.550 0.000 0.000 0.291 180 Y C 2.385 178.321 175.900 0.059 0.000 1.137 180 Y CA 1.335 59.428 58.100 -0.010 0.000 1.181 180 Y CB -1.530 36.949 38.460 0.032 0.000 0.989 180 Y HN 0.622 nan 8.280 nan 0.000 0.527 181 H N -1.127 117.451 119.070 -0.820 0.000 2.457 181 H HA 0.135 4.691 4.556 0.000 0.000 0.294 181 H C 1.998 177.133 175.328 -0.321 0.000 1.064 181 H CA 0.699 56.377 56.048 -0.617 0.000 1.330 181 H CB -0.485 29.007 29.762 -0.450 0.000 1.395 181 H HN 0.532 nan 8.280 nan 0.000 0.541 182 G N 0.724 109.455 108.800 -0.115 0.000 2.199 182 G HA2 -0.343 3.618 3.960 0.000 0.000 0.254 182 G HA3 -0.343 3.618 3.960 0.000 0.000 0.254 182 G C 0.348 175.170 174.900 -0.130 0.000 0.982 182 G CA 0.428 45.441 45.100 -0.145 0.000 0.632 182 G HN 0.536 nan 8.290 nan 0.000 0.529 183 Y N 0.851 121.363 120.300 0.355 0.000 2.502 183 Y HA 0.530 5.080 4.550 0.000 0.000 0.295 183 Y C 1.744 177.805 175.900 0.268 0.000 1.193 183 Y CA 0.704 58.944 58.100 0.233 0.000 1.295 183 Y CB 0.418 38.937 38.460 0.099 0.000 1.059 183 Y HN 0.618 nan 8.280 nan 0.000 0.514 184 A N 0.296 123.315 122.820 0.331 0.000 3.030 184 A HA 0.746 5.066 4.320 0.000 0.000 0.335 184 A C 0.135 177.791 177.584 0.119 0.000 1.089 184 A CA -0.534 51.664 52.037 0.268 0.000 0.807 184 A CB -0.633 18.532 19.000 0.276 0.000 1.099 184 A HN 0.168 nan 8.150 nan 0.000 0.474 185 A N 1.081 123.932 122.820 0.052 0.000 2.462 185 A HA 0.500 4.820 4.320 0.000 0.000 0.243 185 A C 1.266 178.772 177.584 -0.129 0.000 1.076 185 A CA 0.771 52.744 52.037 -0.106 0.000 0.773 185 A CB 0.030 18.855 19.000 -0.292 0.000 1.010 185 A HN 1.386 nan 8.150 nan 0.000 0.493 186 T N -2.060 112.362 114.554 -0.221 0.000 3.043 186 T HA 0.321 4.671 4.350 0.000 0.000 0.272 186 T C -0.312 173.937 174.700 -0.753 0.000 0.990 186 T CA 0.513 62.387 62.100 -0.377 0.000 0.897 186 T CB 0.130 68.912 68.868 -0.145 0.000 1.111 186 T HN 0.639 nan 8.240 nan 0.000 0.529 187 D N 0.343 120.442 120.400 -0.502 0.000 2.300 187 D HA 0.119 4.759 4.640 0.000 0.000 0.218 187 D C 0.118 176.384 176.300 -0.056 0.000 1.326 187 D CA -0.382 53.455 54.000 -0.272 0.000 0.942 187 D CB 0.537 41.326 40.800 -0.018 0.000 1.495 187 D HN 0.058 nan 8.370 nan 0.000 0.545 188 H N 2.269 121.431 119.070 0.153 0.000 2.545 188 H HA -0.032 4.524 4.556 0.000 0.000 0.282 188 H C 0.270 175.691 175.328 0.154 0.000 1.020 188 H CA 0.894 57.053 56.048 0.184 0.000 1.243 188 H CB 0.526 30.397 29.762 0.182 0.000 1.377 188 H HN 0.452 nan 8.280 nan 0.000 0.581 189 Y N -0.097 120.360 120.300 0.262 0.000 2.607 189 Y HA 0.262 4.813 4.550 0.000 0.000 0.266 189 Y C 0.720 176.713 175.900 0.156 0.000 1.178 189 Y CA -0.157 57.910 58.100 -0.055 0.000 1.226 189 Y CB 0.835 39.055 38.460 -0.400 0.000 1.144 189 Y HN -0.117 nan 8.280 nan 0.000 0.528 190 R N 0.855 121.637 120.500 0.470 0.000 2.522 190 R HA 0.316 4.657 4.340 0.000 0.000 0.283 190 R C -1.310 175.197 176.300 0.346 0.000 1.074 190 R CA -0.646 55.693 56.100 0.399 0.000 0.925 190 R CB 1.207 31.649 30.300 0.237 0.000 1.205 190 R HN -0.012 nan 8.270 nan 0.000 0.436 191 I N 3.000 123.780 120.570 0.351 0.000 2.648 191 I HA -0.044 4.126 4.170 0.000 0.000 0.284 191 I C 0.876 177.087 176.117 0.158 0.000 1.153 191 I CA 0.283 61.685 61.300 0.170 0.000 1.426 191 I CB 0.295 38.403 38.000 0.180 0.000 1.381 191 I HN 0.615 nan 8.210 nan 0.000 0.571 192 D N 8.764 129.249 120.400 0.140 0.000 2.533 192 D HA -0.024 4.616 4.640 0.000 0.000 0.236 192 D C -1.640 174.678 176.300 0.029 0.000 1.137 192 D CA -1.010 53.021 54.000 0.052 0.000 0.867 192 D CB 1.514 42.294 40.800 -0.034 0.000 1.170 192 D HN 0.241 nan 8.370 nan 0.000 0.474 193 P HA -0.082 nan 4.420 nan 0.000 0.221 193 P C 1.049 178.330 177.300 -0.031 0.000 1.145 193 P CA 0.825 63.935 63.100 0.015 0.000 0.795 193 P CB 0.270 31.973 31.700 0.005 0.000 0.775 194 R N -1.830 118.579 120.500 -0.151 0.000 2.148 194 R HA -0.084 4.256 4.340 0.000 0.000 0.227 194 R C 1.629 177.817 176.300 -0.188 0.000 1.103 194 R CA 1.270 57.236 56.100 -0.224 0.000 0.983 194 R CB -0.891 29.172 30.300 -0.396 0.000 0.874 194 R HN 0.296 nan 8.270 nan 0.000 0.451 195 Y N -1.789 118.541 120.300 0.050 0.000 2.509 195 Y HA 0.396 4.946 4.550 0.000 0.000 0.270 195 Y C 1.293 177.236 175.900 0.072 0.000 1.103 195 Y CA 0.451 58.586 58.100 0.058 0.000 1.278 195 Y CB 0.475 38.962 38.460 0.045 0.000 1.087 195 Y HN 0.138 nan 8.280 nan 0.000 0.542 196 G N -0.560 108.362 108.800 0.204 0.000 2.302 196 G HA2 0.188 4.148 3.960 0.000 0.000 0.276 196 G HA3 0.188 4.148 3.960 0.000 0.000 0.276 196 G C -0.890 174.121 174.900 0.186 0.000 1.316 196 G CA -0.536 44.668 45.100 0.172 0.000 0.988 196 G HN 0.306 nan 8.290 nan 0.000 0.479 197 S N -0.632 115.188 115.700 0.200 0.000 2.745 197 S HA 0.558 5.028 4.470 0.000 0.000 0.292 197 S C 1.102 175.902 174.600 0.333 0.000 1.133 197 S CA 0.163 58.503 58.200 0.234 0.000 0.998 197 S CB 1.743 65.063 63.200 0.200 0.000 1.087 197 S HN 0.606 nan 8.310 nan 0.000 0.551 198 N N 1.006 119.956 118.700 0.417 0.000 2.104 198 N HA -0.101 4.639 4.740 0.000 0.000 0.190 198 N C 1.490 177.352 175.510 0.586 0.000 1.024 198 N CA 1.515 54.949 53.050 0.641 0.000 0.853 198 N CB -0.674 38.242 38.487 0.715 0.000 1.008 198 N HN 0.767 nan 8.380 nan 0.000 0.424 199 E N 0.707 121.156 120.200 0.414 0.000 2.110 199 E HA -0.113 4.237 4.350 0.000 0.000 0.193 199 E C 1.107 177.827 176.600 0.201 0.000 0.988 199 E CA 0.982 57.544 56.400 0.270 0.000 0.804 199 E CB -0.144 29.677 29.700 0.202 0.000 0.745 199 E HN 0.292 nan 8.360 nan 0.000 0.458 200 D N -0.672 119.864 120.400 0.227 0.000 2.144 200 D HA -0.160 4.481 4.640 0.000 0.000 0.199 200 D C 1.636 178.069 176.300 0.222 0.000 0.984 200 D CA 0.644 54.756 54.000 0.186 0.000 0.834 200 D CB -0.292 40.619 40.800 0.185 0.000 0.955 200 D HN 0.187 nan 8.370 nan 0.000 0.465 201 F N 1.508 121.539 119.950 0.134 0.000 2.134 201 F HA -0.178 4.350 4.527 0.000 0.000 0.299 201 F C 2.231 178.057 175.800 0.043 0.000 1.097 201 F CA 0.747 58.809 58.000 0.103 0.000 1.264 201 F CB -0.386 38.729 39.000 0.191 0.000 1.001 201 F HN -0.227 nan 8.300 nan 0.000 0.479 202 V N 0.568 120.520 119.914 0.064 0.000 2.343 202 V HA -0.287 3.833 4.120 0.000 0.000 0.247 202 V C 2.613 178.624 176.094 -0.138 0.000 1.051 202 V CA 2.157 64.358 62.300 -0.166 0.000 1.036 202 V CB -0.756 30.906 31.823 -0.268 0.000 0.654 202 V HN 0.266 nan 8.190 nan 0.000 0.451 203 R N -0.334 120.135 120.500 -0.052 0.000 2.081 203 R HA -0.188 4.152 4.340 0.000 0.000 0.235 203 R C 2.307 178.563 176.300 -0.073 0.000 1.131 203 R CA 1.772 57.845 56.100 -0.045 0.000 0.960 203 R CB -0.387 29.914 30.300 0.001 0.000 0.856 203 R HN 0.450 nan 8.270 nan 0.000 0.436 204 L N 0.430 121.601 121.223 -0.087 0.000 2.013 204 L HA -0.195 4.146 4.340 0.000 0.000 0.212 204 L C 2.289 179.056 176.870 -0.172 0.000 1.073 204 L CA 2.368 57.139 54.840 -0.115 0.000 0.753 204 L CB -0.940 41.042 42.059 -0.129 0.000 0.890 204 L HN 0.133 nan 8.230 nan 0.000 0.432 205 S N -1.467 114.072 115.700 -0.268 0.000 2.356 205 S HA -0.198 4.272 4.470 0.000 0.000 0.223 205 S C 2.048 176.560 174.600 -0.148 0.000 1.032 205 S CA 1.966 60.022 58.200 -0.240 0.000 1.005 205 S CB -0.693 62.325 63.200 -0.303 0.000 0.867 205 S HN 0.798 nan 8.310 nan 0.000 0.449 206 T N -0.511 113.966 114.554 -0.129 0.000 2.867 206 T HA 0.047 4.397 4.350 0.000 0.000 0.268 206 T C 1.662 176.321 174.700 -0.067 0.000 1.057 206 T CA 1.030 63.076 62.100 -0.090 0.000 1.136 206 T CB -0.426 68.395 68.868 -0.079 0.000 0.874 206 T HN 0.281 nan 8.240 nan 0.000 0.466 207 E N 1.658 121.819 120.200 -0.065 0.000 2.107 207 E HA 0.091 4.441 4.350 0.000 0.000 0.191 207 E C 2.625 179.200 176.600 -0.042 0.000 0.982 207 E CA 1.197 57.569 56.400 -0.046 0.000 0.809 207 E CB -0.644 29.032 29.700 -0.040 0.000 0.756 207 E HN 0.679 nan 8.360 nan 0.000 0.459 208 A N 1.372 124.160 122.820 -0.054 0.000 1.902 208 A HA -0.199 4.121 4.320 0.000 0.000 0.217 208 A C 2.216 179.778 177.584 -0.037 0.000 1.181 208 A CA 1.783 53.794 52.037 -0.042 0.000 0.623 208 A CB -0.415 18.550 19.000 -0.058 0.000 0.818 208 A HN 0.088 nan 8.150 nan 0.000 0.443 209 R N 0.336 120.806 120.500 -0.049 0.000 2.105 209 R HA -0.110 4.230 4.340 0.000 0.000 0.239 209 R C 1.953 178.234 176.300 -0.030 0.000 1.135 209 R CA 2.024 58.099 56.100 -0.041 0.000 0.967 209 R CB -0.368 29.901 30.300 -0.051 0.000 0.861 209 R HN 0.559 nan 8.270 nan 0.000 0.442 210 K N -0.613 119.769 120.400 -0.030 0.000 2.211 210 K HA -0.123 4.197 4.320 0.000 0.000 0.204 210 K C 1.525 178.116 176.600 -0.015 0.000 1.047 210 K CA 1.340 57.614 56.287 -0.022 0.000 0.935 210 K CB 0.008 32.495 32.500 -0.022 0.000 0.728 210 K HN 0.000 nan 8.250 nan 0.000 0.452 211 R N 0.117 120.609 120.500 -0.013 0.000 2.356 211 R HA 0.128 4.468 4.340 0.000 0.000 0.234 211 R C 0.261 176.557 176.300 -0.007 0.000 0.929 211 R CA 0.404 56.500 56.100 -0.006 0.000 1.084 211 R CB 0.160 30.460 30.300 -0.000 0.000 1.105 211 R HN 0.343 nan 8.270 nan 0.000 0.515 215 L N 0.581 121.781 121.223 -0.038 0.000 2.349 215 L HA 0.782 5.122 4.340 0.000 0.000 0.278 215 L C -0.725 176.139 176.870 -0.010 0.000 0.996 215 L CA -0.929 53.879 54.840 -0.053 0.000 0.825 215 L CB 1.315 43.278 42.059 -0.160 0.000 1.243 215 L HN 0.468 nan 8.230 nan 0.000 0.412 216 I N 4.484 125.067 120.570 0.023 0.000 2.339 216 I HA 0.358 4.528 4.170 0.000 0.000 0.290 216 I C -0.139 176.028 176.117 0.083 0.000 0.994 216 I CA -0.449 60.864 61.300 0.021 0.000 1.191 216 I CB 1.605 39.527 38.000 -0.130 0.000 1.343 216 I HN 0.629 nan 8.210 nan 0.000 0.458 217 Q N 5.181 125.036 119.800 0.092 0.000 2.243 217 Q HA 0.136 4.476 4.340 0.000 0.000 0.252 217 Q C -0.798 175.243 176.000 0.068 0.000 0.909 217 Q CA -0.597 55.283 55.803 0.127 0.000 0.922 217 Q CB 1.355 30.171 28.738 0.130 0.000 1.215 217 Q HN 0.457 nan 8.270 nan 0.000 0.427 218 D N 3.135 123.603 120.400 0.113 0.000 2.295 218 D HA 0.282 4.922 4.640 0.000 0.000 0.248 218 D C -1.114 175.231 176.300 0.076 0.000 1.154 218 D CA -0.172 53.911 54.000 0.139 0.000 0.857 218 D CB 1.068 42.083 40.800 0.358 0.000 1.117 218 D HN 0.365 nan 8.370 nan 0.000 0.468 219 V N 1.385 121.363 119.914 0.106 0.000 2.735 219 V HA 0.687 4.807 4.120 0.000 0.000 0.310 219 V C -0.518 175.648 176.094 0.119 0.000 1.061 219 V CA -0.846 61.518 62.300 0.105 0.000 0.913 219 V CB 1.829 33.739 31.823 0.144 0.000 1.005 219 V HN 0.202 nan 8.190 nan 0.000 0.428 220 V N 5.234 125.203 119.914 0.091 0.000 2.459 220 V HA 0.458 4.578 4.120 0.000 0.000 0.295 220 V C 0.539 176.602 176.094 -0.052 0.000 1.029 220 V CA -0.251 62.051 62.300 0.003 0.000 0.874 220 V CB 1.469 33.254 31.823 -0.064 0.000 0.985 220 V HN 0.933 nan 8.190 nan 0.000 0.438 221 L N 2.543 123.696 121.223 -0.117 0.000 2.609 221 L HA 0.138 4.478 4.340 0.000 0.000 0.230 221 L C 2.182 178.927 176.870 -0.209 0.000 1.064 221 L CA 0.572 55.329 54.840 -0.137 0.000 0.873 221 L CB 0.111 42.094 42.059 -0.126 0.000 1.139 221 L HN 0.714 nan 8.230 nan 0.000 0.490 222 S N -0.756 114.821 115.700 -0.205 0.000 2.436 222 S HA -0.015 4.455 4.470 0.000 0.000 0.228 222 S C 0.532 175.075 174.600 -0.095 0.000 1.014 222 S CA 0.181 58.297 58.200 -0.141 0.000 0.950 222 S CB -0.125 63.101 63.200 0.043 0.000 0.784 222 S HN 0.546 nan 8.310 nan 0.000 0.504 223 H N -1.065 117.980 119.070 -0.042 0.000 2.990 223 H HA 0.602 5.158 4.556 0.000 0.000 0.336 223 H C -0.619 174.724 175.328 0.025 0.000 1.306 223 H CA -0.901 55.106 56.048 -0.067 0.000 1.118 223 H CB 0.922 30.657 29.762 -0.045 0.000 1.856 223 H HN 0.315 nan 8.280 nan 0.000 0.538 224 I N -1.559 119.097 120.570 0.143 0.000 3.457 224 I HA 0.793 4.963 4.170 0.000 0.000 0.307 224 I C 0.014 176.210 176.117 0.132 0.000 1.138 224 I CA -1.426 59.949 61.300 0.126 0.000 0.974 224 I CB 2.089 40.112 38.000 0.038 0.000 1.324 224 I HN 0.657 nan 8.210 nan 0.000 0.485 225 G N 0.583 109.454 108.800 0.119 0.000 2.425 225 G HA2 0.294 4.254 3.960 0.000 0.000 0.302 225 G HA3 0.294 4.254 3.960 0.000 0.000 0.302 225 G C 0.447 175.398 174.900 0.086 0.000 1.159 225 G CA -0.552 44.622 45.100 0.123 0.000 0.865 225 G HN 0.940 nan 8.290 nan 0.000 0.515 226 K N -0.502 119.934 120.400 0.060 0.000 2.280 226 K HA -0.114 4.207 4.320 0.000 0.000 0.202 226 K C 0.733 177.262 176.600 -0.119 0.000 1.047 226 K CA 1.159 57.426 56.287 -0.033 0.000 0.942 226 K CB -0.051 32.403 32.500 -0.076 0.000 0.739 226 K HN 0.547 nan 8.250 nan 0.000 0.457 227 H N 0.210 119.326 119.070 0.076 0.000 2.538 227 H HA 0.052 4.609 4.556 0.000 0.000 0.286 227 H C -0.095 175.262 175.328 0.048 0.000 1.035 227 H CA -0.177 55.909 56.048 0.062 0.000 1.169 227 H CB -0.204 29.581 29.762 0.038 0.000 1.417 227 H HN 0.264 nan 8.280 nan 0.000 0.567 228 H N 1.649 120.718 119.070 -0.002 0.000 2.928 228 H HA -0.122 4.434 4.556 0.000 0.000 0.338 228 H C 1.287 176.547 175.328 -0.113 0.000 1.047 228 H CA 0.005 55.959 56.048 -0.156 0.000 1.435 228 H CB 0.459 30.032 29.762 -0.315 0.000 1.428 228 H HN 0.528 nan 8.280 nan 0.000 0.590 229 W N 4.431 125.625 121.300 -0.177 0.000 2.359 229 W HA -0.134 4.526 4.660 0.000 0.000 0.275 229 W C 0.030 176.643 176.519 0.158 0.000 1.217 229 W CA -0.684 56.638 57.345 -0.038 0.000 1.196 229 W CB -0.798 28.560 29.460 -0.169 0.000 1.129 229 W HN 0.380 nan 8.180 nan 0.000 0.566 233 D N 1.416 121.923 120.400 0.179 0.000 3.117 233 D HA 0.171 4.811 4.640 0.000 0.000 0.241 233 D C -1.120 175.271 176.300 0.152 0.000 1.385 233 D CA -0.201 53.918 54.000 0.200 0.000 0.855 233 D CB 0.365 41.341 40.800 0.294 0.000 1.498 233 D HN 0.013 nan 8.370 nan 0.000 0.584 234 L N 2.331 123.562 121.223 0.013 0.000 2.601 234 L HA 0.124 4.464 4.340 0.000 0.000 0.277 234 L C -1.041 175.622 176.870 -0.346 0.000 1.219 234 L CA -0.852 53.871 54.840 -0.195 0.000 0.915 234 L CB 0.641 42.641 42.059 -0.099 0.000 1.160 234 L HN 0.214 nan 8.230 nan 0.000 0.494 235 P HA -0.101 nan 4.420 nan 0.000 0.215 235 P C 0.132 177.135 177.300 -0.495 0.000 1.153 235 P CA 1.155 63.510 63.100 -1.243 0.000 0.853 235 P CB 0.170 30.476 31.700 -2.325 0.000 0.788 236 T N -7.804 106.563 114.554 -0.311 0.000 2.843 236 T HA 0.434 4.784 4.350 0.000 0.000 0.302 236 T C -2.667 172.018 174.700 -0.026 0.000 1.232 236 T CA -1.968 60.087 62.100 -0.075 0.000 1.009 236 T CB 1.525 70.405 68.868 0.019 0.000 1.254 236 T HN -0.286 nan 8.240 nan 0.000 0.504 237 P HA 0.120 nan 4.420 nan 0.000 0.237 237 P C 0.262 177.565 177.300 0.005 0.000 1.178 237 P CA 0.724 63.827 63.100 0.005 0.000 0.766 237 P CB -0.072 31.630 31.700 0.004 0.000 0.876 238 D N -2.968 117.430 120.400 -0.004 0.000 2.804 238 D HA -0.026 4.614 4.640 0.000 0.000 0.308 238 D C 0.865 177.125 176.300 -0.066 0.000 1.371 238 D CA -0.668 53.304 54.000 -0.046 0.000 0.823 238 D CB -1.138 39.614 40.800 -0.081 0.000 1.126 238 D HN 0.172 nan 8.370 nan 0.000 0.467 239 W N 1.852 122.996 121.300 -0.260 0.000 2.453 239 W HA 0.143 4.803 4.660 0.000 0.000 0.289 239 W C 0.328 176.652 176.519 -0.325 0.000 1.215 239 W CA 0.498 57.619 57.345 -0.374 0.000 1.297 239 W CB 0.460 29.613 29.460 -0.511 0.000 1.113 239 W HN 0.034 nan 8.180 nan 0.000 0.551 240 I N -0.610 119.939 120.570 -0.036 0.000 2.693 240 I HA 0.414 4.584 4.170 0.000 0.000 0.303 240 I C -0.225 175.867 176.117 -0.043 0.000 1.025 240 I CA -0.985 60.263 61.300 -0.087 0.000 1.086 240 I CB 1.277 39.270 38.000 -0.012 0.000 1.268 240 I HN -0.256 nan 8.210 nan 0.000 0.440 241 N N 2.911 121.581 118.700 -0.050 0.000 2.513 241 N HA 0.186 4.926 4.740 0.000 0.000 0.274 241 N C -0.857 174.780 175.510 0.211 0.000 1.189 241 N CA -0.039 52.940 53.050 -0.118 0.000 0.975 241 N CB 0.405 38.701 38.487 -0.318 0.000 1.157 241 N HN 0.729 nan 8.380 nan 0.000 0.465 242 Y N -0.643 119.750 120.300 0.156 0.000 3.001 242 Y HA -0.242 4.308 4.550 0.000 0.000 0.207 242 Y C 1.738 177.705 175.900 0.112 0.000 1.231 242 Y CA 0.439 58.575 58.100 0.060 0.000 1.024 242 Y CB -2.243 36.157 38.460 -0.099 0.000 1.267 242 Y HN 0.774 nan 8.280 nan 0.000 0.501 243 G N 0.619 109.583 108.800 0.273 0.000 2.875 243 G HA2 -0.256 3.704 3.960 0.000 0.000 0.220 243 G HA3 -0.256 3.704 3.960 0.000 0.000 0.220 243 G C 1.658 176.678 174.900 0.201 0.000 1.293 243 G CA 1.659 46.924 45.100 0.275 0.000 0.789 243 G HN 0.830 nan 8.290 nan 0.000 0.677 244 G N 0.326 109.184 108.800 0.096 0.000 2.654 244 G HA2 0.042 4.003 3.960 0.000 0.000 0.215 244 G HA3 0.042 4.003 3.960 0.000 0.000 0.215 244 G C 0.859 175.736 174.900 -0.038 0.000 1.310 244 G CA 0.529 45.653 45.100 0.039 0.000 0.866 244 G HN 0.470 nan 8.290 nan 0.000 0.558 245 K N 1.130 121.502 120.400 -0.046 0.000 2.440 245 K HA -0.068 4.253 4.320 0.000 0.000 0.275 245 K C -0.709 175.775 176.600 -0.194 0.000 1.082 245 K CA -0.409 55.825 56.287 -0.089 0.000 1.135 245 K CB -0.460 31.986 32.500 -0.089 0.000 0.864 245 K HN 0.039 nan 8.250 nan 0.000 0.479 246 F N 5.346 125.083 119.950 -0.355 0.000 2.578 246 F HA 0.059 4.586 4.527 0.000 0.000 0.381 246 F C -0.356 175.133 175.800 -0.518 0.000 1.069 246 F CA -0.189 57.485 58.000 -0.542 0.000 1.231 246 F CB 0.462 39.230 39.000 -0.388 0.000 1.086 246 F HN 0.135 nan 8.300 nan 0.000 0.564 247 V N 9.064 128.159 119.914 -1.366 0.000 2.325 247 V HA 0.309 4.429 4.120 0.000 0.000 0.280 247 V C -2.141 173.180 176.094 -1.289 0.000 1.016 247 V CA -1.569 59.993 62.300 -1.230 0.000 0.818 247 V CB 1.042 32.026 31.823 -1.399 0.000 1.019 247 V HN 0.641 nan 8.190 nan 0.000 0.434 248 P HA 0.169 nan 4.420 nan 0.000 0.277 248 P C -0.035 177.010 177.300 -0.425 0.000 1.240 248 P CA 0.007 62.654 63.100 -0.755 0.000 0.798 248 P CB 1.263 32.692 31.700 -0.451 0.000 0.979 249 T N 1.662 116.005 114.554 -0.351 0.000 2.897 249 T HA 0.075 4.425 4.350 0.000 0.000 0.294 249 T C 0.920 175.397 174.700 -0.372 0.000 1.004 249 T CA -0.235 61.637 62.100 -0.380 0.000 1.106 249 T CB -0.158 68.372 68.868 -0.563 0.000 0.949 249 T HN 0.224 nan 8.240 nan 0.000 0.520 250 Q N 2.600 122.225 119.800 -0.292 0.000 2.204 250 Q HA 0.092 4.432 4.340 0.000 0.000 0.209 250 Q C -0.030 175.824 176.000 -0.242 0.000 0.861 250 Q CA -0.028 55.613 55.803 -0.269 0.000 0.971 250 Q CB -0.374 28.098 28.738 -0.443 0.000 1.095 250 Q HN 0.999 nan 8.270 nan 0.000 0.486 251 H N -0.693 118.377 119.070 0.001 0.000 2.655 251 H HA -0.188 4.368 4.556 0.000 0.000 0.313 251 H C -0.611 174.780 175.328 0.105 0.000 1.141 251 H CA 0.696 56.911 56.048 0.279 0.000 1.138 251 H CB -2.475 27.454 29.762 0.278 0.000 1.446 251 H HN 0.458 nan 8.280 nan 0.000 0.415 252 H N 0.273 119.436 119.070 0.156 0.000 2.855 252 H HA 0.091 4.648 4.556 0.000 0.000 0.238 252 H C 1.889 176.905 175.328 -0.520 0.000 1.847 252 H CA -0.280 55.717 56.048 -0.086 0.000 1.368 252 H CB 0.349 30.098 29.762 -0.022 0.000 1.758 252 H HN 0.378 nan 8.280 nan 0.000 0.546 253 R N 1.197 121.304 120.500 -0.655 0.000 2.119 253 R HA -0.166 4.174 4.340 0.000 0.000 0.246 253 R C 1.849 177.762 176.300 -0.647 0.000 1.146 253 R CA 1.988 57.340 56.100 -1.246 0.000 0.962 253 R CB -0.148 29.894 30.300 -0.431 0.000 0.863 253 R HN 0.518 nan 8.270 nan 0.000 0.442 254 V N -2.075 117.664 119.914 -0.291 0.000 3.141 254 V HA 0.135 4.255 4.120 0.000 0.000 0.265 254 V C 2.069 178.079 176.094 -0.139 0.000 1.126 254 V CA 1.291 63.495 62.300 -0.161 0.000 1.141 254 V CB -0.435 31.334 31.823 -0.089 0.000 0.743 254 V HN 0.347 nan 8.190 nan 0.000 0.492 255 A N 1.495 124.220 122.820 -0.158 0.000 2.019 255 A HA -0.078 4.242 4.320 0.000 0.000 0.219 255 A C 2.280 179.836 177.584 -0.046 0.000 1.164 255 A CA 2.104 54.101 52.037 -0.067 0.000 0.644 255 A CB -0.799 18.198 19.000 -0.005 0.000 0.805 255 A HN 1.300 nan 8.150 nan 0.000 0.449 256 V N -2.086 117.782 119.914 -0.077 0.000 3.380 256 V HA 0.024 4.144 4.120 0.000 0.000 0.268 256 V C 0.714 176.739 176.094 -0.115 0.000 1.168 256 V CA 1.223 63.495 62.300 -0.047 0.000 1.156 256 V CB -1.109 30.739 31.823 0.041 0.000 0.785 256 V HN 0.794 nan 8.190 nan 0.000 0.487 257 Q N 0.312 120.063 119.800 -0.083 0.000 3.007 257 Q HA 0.489 4.829 4.340 0.000 0.000 0.321 257 Q C -1.025 175.027 176.000 0.087 0.000 0.784 257 Q CA -0.295 55.499 55.803 -0.014 0.000 0.990 257 Q CB 0.573 29.224 28.738 -0.144 0.000 1.493 257 Q HN 0.487 nan 8.270 nan 0.000 0.382 258 D N 0.816 121.277 120.400 0.102 0.000 2.964 258 D HA 0.331 4.971 4.640 0.000 0.000 0.234 258 D C -2.208 174.092 176.300 0.001 0.000 1.223 258 D CA -2.018 51.971 54.000 -0.019 0.000 0.889 258 D CB 2.328 43.100 40.800 -0.046 0.000 1.609 258 D HN -0.059 nan 8.370 nan 0.000 0.523 259 P HA -0.034 nan 4.420 nan 0.000 0.221 259 P C 0.394 177.533 177.300 -0.270 0.000 1.150 259 P CA 0.945 63.888 63.100 -0.262 0.000 0.800 259 P CB 0.059 31.337 31.700 -0.704 0.000 0.787 260 Y N -0.889 119.412 120.300 0.003 0.000 2.457 260 Y HA 0.472 5.022 4.550 0.000 0.000 0.263 260 Y C 1.365 177.258 175.900 -0.011 0.000 1.164 260 Y CA -1.323 56.771 58.100 -0.011 0.000 1.274 260 Y CB -1.218 37.222 38.460 -0.034 0.000 1.097 260 Y HN -0.159 nan 8.280 nan 0.000 0.523 261 A N 1.251 124.124 122.820 0.089 0.000 2.520 261 A HA 0.468 4.788 4.320 0.000 0.000 0.235 261 A C 0.575 178.188 177.584 0.049 0.000 1.065 261 A CA 0.232 52.299 52.037 0.051 0.000 0.764 261 A CB -0.138 18.878 19.000 0.026 0.000 1.002 261 A HN 0.366 nan 8.150 nan 0.000 0.502 262 A N 1.074 123.915 122.820 0.035 0.000 2.290 262 A HA 0.493 4.813 4.320 0.000 0.000 0.310 262 A C 0.863 178.470 177.584 0.039 0.000 1.202 262 A CA -0.327 51.730 52.037 0.034 0.000 0.837 262 A CB 0.777 19.792 19.000 0.025 0.000 1.139 262 A HN 0.954 nan 8.150 nan 0.000 0.509 263 Q N 2.666 122.488 119.800 0.036 0.000 2.197 263 Q HA -0.190 4.150 4.340 0.000 0.000 0.207 263 Q C 1.896 177.928 176.000 0.052 0.000 0.984 263 Q CA 2.687 58.514 55.803 0.039 0.000 0.869 263 Q CB -0.418 28.339 28.738 0.030 0.000 0.906 263 Q HN 0.940 nan 8.270 nan 0.000 0.426 264 A N 0.211 123.062 122.820 0.051 0.000 1.940 264 A HA -0.197 4.123 4.320 0.000 0.000 0.219 264 A C 1.724 179.362 177.584 0.089 0.000 1.176 264 A CA 1.838 53.912 52.037 0.061 0.000 0.631 264 A CB -0.554 18.473 19.000 0.045 0.000 0.814 264 A HN 0.439 nan 8.150 nan 0.000 0.446 265 D N -0.985 119.475 120.400 0.100 0.000 2.162 265 D HA -0.059 4.581 4.640 0.000 0.000 0.203 265 D C 2.258 178.656 176.300 0.163 0.000 0.967 265 D CA 1.387 55.485 54.000 0.164 0.000 0.840 265 D CB -0.326 40.560 40.800 0.143 0.000 0.972 265 D HN 0.405 nan 8.370 nan 0.000 0.482 266 S N 0.384 116.154 115.700 0.117 0.000 2.356 266 S HA -0.168 4.302 4.470 0.000 0.000 0.223 266 S C 1.781 176.472 174.600 0.152 0.000 1.032 266 S CA 1.158 59.436 58.200 0.130 0.000 1.005 266 S CB -0.043 63.203 63.200 0.078 0.000 0.867 266 S HN 0.179 nan 8.310 nan 0.000 0.449 267 E N 0.970 121.236 120.200 0.110 0.000 2.077 267 E HA -0.153 4.198 4.350 0.000 0.000 0.193 267 E C 2.192 178.867 176.600 0.124 0.000 0.989 267 E CA 1.074 57.530 56.400 0.094 0.000 0.800 267 E CB -0.276 29.474 29.700 0.084 0.000 0.746 267 E HN 0.598 nan 8.360 nan 0.000 0.452 268 N N 0.354 119.136 118.700 0.137 0.000 2.166 268 N HA -0.179 4.561 4.740 0.000 0.000 0.186 268 N C 1.808 177.372 175.510 0.090 0.000 1.019 268 N CA 0.802 53.917 53.050 0.108 0.000 0.856 268 N CB -0.097 38.425 38.487 0.057 0.000 0.993 268 N HN 0.077 nan 8.380 nan 0.000 0.426 269 F N 1.929 121.864 119.950 -0.025 0.000 2.146 269 F HA -0.094 4.433 4.527 0.000 0.000 0.298 269 F C 2.523 178.296 175.800 -0.045 0.000 1.096 269 F CA 1.988 59.944 58.000 -0.074 0.000 1.275 269 F CB -0.689 38.263 39.000 -0.080 0.000 1.008 269 F HN 0.105 nan 8.300 nan 0.000 0.480 270 T N -3.536 110.980 114.554 -0.062 0.000 3.044 270 T HA 0.117 4.468 4.350 0.000 0.000 0.250 270 T C 1.587 176.215 174.700 -0.120 0.000 1.081 270 T CA 0.392 62.404 62.100 -0.148 0.000 1.040 270 T CB -0.035 68.814 68.868 -0.031 0.000 0.962 270 T HN 0.238 nan 8.240 nan 0.000 0.506 271 K N 0.697 121.069 120.400 -0.045 0.000 2.399 271 K HA 0.328 4.648 4.320 0.000 0.000 0.196 271 K C 1.387 178.110 176.600 0.205 0.000 1.117 271 K CA -0.045 56.222 56.287 -0.032 0.000 0.965 271 K CB 0.455 32.862 32.500 -0.155 0.000 0.983 271 K HN 0.358 nan 8.250 nan 0.000 0.531 272 G N 1.179 110.105 108.800 0.210 0.000 2.554 272 G HA2 0.051 4.011 3.960 0.000 0.000 0.238 272 G HA3 0.051 4.011 3.960 0.000 0.000 0.238 272 G C -0.866 174.107 174.900 0.123 0.000 1.259 272 G CA -0.332 44.860 45.100 0.154 0.000 0.843 272 G HN 0.029 nan 8.290 nan 0.000 0.582 273 W N 0.689 121.844 121.300 -0.242 0.000 2.448 273 W HA 0.579 5.239 4.660 0.000 0.000 0.339 273 W C 0.732 177.100 176.519 -0.252 0.000 1.124 273 W CA -1.225 56.017 57.345 -0.173 0.000 1.262 273 W CB 0.341 29.876 29.460 0.126 0.000 1.251 273 W HN 0.427 nan 8.180 nan 0.000 0.597 274 F N 0.735 120.721 119.950 0.060 0.000 2.098 274 F HA -0.002 4.526 4.527 0.000 0.000 0.294 274 F C 1.096 176.988 175.800 0.153 0.000 1.107 274 F CA 1.338 59.311 58.000 -0.044 0.000 1.234 274 F CB -0.753 38.086 39.000 -0.269 0.000 1.002 274 F HN -0.048 nan 8.300 nan 0.000 0.472 275 V N -3.771 116.401 119.914 0.429 0.000 3.114 275 V HA 0.340 4.460 4.120 0.000 0.000 0.308 275 V C 0.462 176.760 176.094 0.339 0.000 1.168 275 V CA -1.273 61.221 62.300 0.323 0.000 1.015 275 V CB 1.656 33.558 31.823 0.132 0.000 1.050 275 V HN 0.132 nan 8.190 nan 0.000 0.433 276 E N 1.817 121.888 120.200 -0.215 0.000 2.273 276 E HA -0.040 4.310 4.350 0.000 0.000 0.198 276 E C 1.239 177.956 176.600 0.194 0.000 1.002 276 E CA 1.436 57.655 56.400 -0.302 0.000 0.828 276 E CB -0.039 29.230 29.700 -0.718 0.000 0.747 276 E HN 0.939 nan 8.360 nan 0.000 0.491 280 D N 1.256 120.870 120.400 -1.310 0.000 2.277 280 D HA 0.322 4.962 4.640 0.000 0.000 0.249 280 D C -0.172 175.906 176.300 -0.370 0.000 1.134 280 D CA -0.226 53.426 54.000 -0.579 0.000 0.863 280 D CB 0.674 41.220 40.800 -0.423 0.000 1.143 280 D HN 0.237 nan 8.370 nan 0.000 0.458 281 L N 3.545 124.592 121.223 -0.294 0.000 2.416 281 L HA 0.144 4.484 4.340 0.000 0.000 0.272 281 L C 0.683 177.313 176.870 -0.399 0.000 1.161 281 L CA -0.368 54.255 54.840 -0.362 0.000 0.845 281 L CB 0.383 42.215 42.059 -0.379 0.000 1.119 281 L HN 0.464 nan 8.230 nan 0.000 0.464 282 N N 2.511 120.936 118.700 -0.458 0.000 2.555 282 N HA 0.054 4.795 4.740 0.000 0.000 0.244 282 N C 0.546 175.764 175.510 -0.486 0.000 1.114 282 N CA 0.129 52.932 53.050 -0.411 0.000 0.963 282 N CB 0.754 39.026 38.487 -0.357 0.000 1.276 282 N HN 0.523 nan 8.380 nan 0.000 0.510 283 Q N 0.257 119.779 119.800 -0.464 0.000 2.369 283 Q HA -0.070 4.270 4.340 0.000 0.000 0.206 283 Q C 1.388 177.200 176.000 -0.313 0.000 0.963 283 Q CA 1.312 56.785 55.803 -0.549 0.000 0.894 283 Q CB 0.218 28.505 28.738 -0.752 0.000 0.965 283 Q HN 0.750 nan 8.270 nan 0.000 0.475 284 T N -1.836 112.582 114.554 -0.227 0.000 3.118 284 T HA -0.045 4.306 4.350 0.000 0.000 0.260 284 T C 0.769 175.366 174.700 -0.171 0.000 1.139 284 T CA -0.012 62.006 62.100 -0.137 0.000 1.085 284 T CB -0.050 68.755 68.868 -0.105 0.000 0.934 284 T HN -0.011 nan 8.240 nan 0.000 0.518 285 N N 2.771 121.309 118.700 -0.271 0.000 2.411 285 N HA 0.196 4.936 4.740 0.000 0.000 0.259 285 N C -2.041 173.287 175.510 -0.303 0.000 1.103 285 N CA -2.264 50.604 53.050 -0.303 0.000 0.954 285 N CB 1.785 40.015 38.487 -0.428 0.000 1.085 285 N HN 0.042 nan 8.380 nan 0.000 0.485 286 P HA -0.064 nan 4.420 nan 0.000 0.220 286 P C 1.424 178.619 177.300 -0.175 0.000 1.148 286 P CA 0.918 63.933 63.100 -0.142 0.000 0.803 286 P CB 0.365 32.006 31.700 -0.098 0.000 0.782 287 L N -1.460 119.591 121.223 -0.285 0.000 2.093 287 L HA -0.117 4.223 4.340 0.000 0.000 0.208 287 L C 2.366 179.063 176.870 -0.289 0.000 1.085 287 L CA 1.159 55.830 54.840 -0.281 0.000 0.755 287 L CB -1.073 40.723 42.059 -0.438 0.000 0.904 287 L HN -0.132 nan 8.230 nan 0.000 0.435 288 V N 0.117 119.607 119.914 -0.706 0.000 2.307 288 V HA -0.252 3.868 4.120 0.000 0.000 0.245 288 V C 2.797 178.702 176.094 -0.314 0.000 1.045 288 V CA 1.729 63.522 62.300 -0.845 0.000 1.024 288 V CB -0.836 30.277 31.823 -1.183 0.000 0.651 288 V HN 0.455 nan 8.190 nan 0.000 0.449 289 A N 0.738 123.420 122.820 -0.229 0.000 1.873 289 A HA -0.283 4.037 4.320 0.000 0.000 0.218 289 A C 2.066 179.791 177.584 0.236 0.000 1.193 289 A CA 2.334 54.424 52.037 0.088 0.000 0.629 289 A CB -0.807 18.317 19.000 0.207 0.000 0.826 289 A HN 0.603 nan 8.150 nan 0.000 0.447 290 N N -1.483 117.295 118.700 0.130 0.000 2.104 290 N HA -0.189 4.551 4.740 0.000 0.000 0.190 290 N C 1.602 177.231 175.510 0.198 0.000 1.024 290 N CA 1.768 54.902 53.050 0.140 0.000 0.853 290 N CB -0.717 37.832 38.487 0.103 0.000 1.008 290 N HN 0.692 nan 8.380 nan 0.000 0.424 291 Y N 1.715 122.097 120.300 0.137 0.000 2.097 291 Y HA -0.138 4.412 4.550 0.000 0.000 0.282 291 Y C 2.246 178.278 175.900 0.219 0.000 1.152 291 Y CA 1.486 59.722 58.100 0.227 0.000 1.136 291 Y CB -0.450 38.184 38.460 0.290 0.000 0.975 291 Y HN -0.035 nan 8.280 nan 0.000 0.498 292 L N -0.492 120.922 121.223 0.318 0.000 2.046 292 L HA -0.234 4.107 4.340 0.000 0.000 0.208 292 L C 2.454 179.519 176.870 0.326 0.000 1.077 292 L CA 1.509 56.502 54.840 0.255 0.000 0.747 292 L CB -0.591 41.625 42.059 0.261 0.000 0.896 292 L HN 0.278 nan 8.230 nan 0.000 0.432 293 I N -0.548 120.255 120.570 0.387 0.000 2.163 293 I HA -0.337 3.833 4.170 0.000 0.000 0.243 293 I C 2.675 178.930 176.117 0.230 0.000 1.085 293 I CA 1.472 62.952 61.300 0.301 0.000 1.347 293 I CB -0.279 37.823 38.000 0.171 0.000 1.044 293 I HN 0.330 nan 8.210 nan 0.000 0.408 294 Q N 0.123 120.039 119.800 0.194 0.000 2.124 294 Q HA -0.223 4.117 4.340 0.000 0.000 0.202 294 Q C 2.066 178.302 176.000 0.393 0.000 0.977 294 Q CA 1.519 57.498 55.803 0.293 0.000 0.850 294 Q CB -0.377 28.406 28.738 0.075 0.000 0.901 294 Q HN 0.549 nan 8.270 nan 0.000 0.429 295 N N 0.731 119.510 118.700 0.132 0.000 2.142 295 N HA -0.162 4.578 4.740 0.000 0.000 0.186 295 N C 1.243 176.913 175.510 0.267 0.000 1.023 295 N CA 1.175 54.199 53.050 -0.044 0.000 0.852 295 N CB 0.092 38.309 38.487 -0.449 0.000 0.998 295 N HN 0.176 nan 8.380 nan 0.000 0.424 296 N N 1.174 120.084 118.700 0.349 0.000 2.142 296 N HA -0.017 4.723 4.740 0.000 0.000 0.186 296 N C 1.905 177.666 175.510 0.418 0.000 1.023 296 N CA 0.668 53.986 53.050 0.445 0.000 0.852 296 N CB -0.315 38.446 38.487 0.457 0.000 0.998 296 N HN 0.352 nan 8.380 nan 0.000 0.424 297 I N -0.772 120.030 120.570 0.386 0.000 2.226 297 I HA -0.258 3.912 4.170 0.000 0.000 0.245 297 I C 2.143 178.475 176.117 0.359 0.000 1.100 297 I CA 0.890 62.419 61.300 0.381 0.000 1.374 297 I CB -0.198 38.051 38.000 0.416 0.000 1.057 297 I HN 0.244 nan 8.210 nan 0.000 0.413 298 W N 1.012 122.503 121.300 0.319 0.000 2.335 298 W HA -0.247 4.414 4.660 0.000 0.000 0.311 298 W C 2.200 178.880 176.519 0.267 0.000 1.213 298 W CA 1.507 59.054 57.345 0.337 0.000 1.274 298 W CB -0.560 29.114 29.460 0.357 0.000 1.148 298 W HN 0.085 nan 8.180 nan 0.000 0.498 299 W N 0.102 121.719 121.300 0.528 0.000 2.358 299 W HA -0.171 4.489 4.660 0.000 0.000 0.303 299 W C 2.355 178.963 176.519 0.148 0.000 1.208 299 W CA 1.325 58.897 57.345 0.379 0.000 1.274 299 W CB -0.739 28.958 29.460 0.396 0.000 1.138 299 W HN -0.205 nan 8.180 nan 0.000 0.515 300 I N -0.110 120.632 120.570 0.287 0.000 2.208 300 I HA -0.302 3.869 4.170 0.000 0.000 0.245 300 I C 2.311 178.317 176.117 -0.185 0.000 1.097 300 I CA 1.600 62.881 61.300 -0.031 0.000 1.363 300 I CB -0.445 37.393 38.000 -0.270 0.000 1.051 300 I HN -0.051 nan 8.210 nan 0.000 0.413 301 E N 0.159 120.195 120.200 -0.274 0.000 2.051 301 E HA -0.233 4.117 4.350 0.000 0.000 0.189 301 E C 2.083 178.474 176.600 -0.348 0.000 0.979 301 E CA 1.121 57.175 56.400 -0.577 0.000 0.803 301 E CB -0.298 28.528 29.700 -1.456 0.000 0.761 301 E HN 0.433 nan 8.360 nan 0.000 0.451 302 Y N 0.282 120.408 120.300 -0.289 0.000 2.145 302 Y HA -0.055 4.495 4.550 0.000 0.000 0.286 302 Y C 1.803 177.714 175.900 0.018 0.000 1.145 302 Y CA 1.840 59.907 58.100 -0.055 0.000 1.148 302 Y CB -0.491 37.672 38.460 -0.496 0.000 0.981 302 Y HN 0.088 nan 8.280 nan 0.000 0.507 303 A N -0.640 122.193 122.820 0.021 0.000 2.275 303 A HA 0.371 4.691 4.320 0.000 0.000 0.212 303 A C 1.661 179.154 177.584 -0.150 0.000 1.201 303 A CA 0.521 52.519 52.037 -0.065 0.000 0.843 303 A CB -1.281 17.861 19.000 0.237 0.000 0.873 303 A HN 0.890 nan 8.150 nan 0.000 0.492 304 G N 0.094 108.809 108.800 -0.141 0.000 2.305 304 G HA2 -0.235 3.725 3.960 0.000 0.000 0.287 304 G HA3 -0.235 3.725 3.960 0.000 0.000 0.287 304 G C 0.099 174.910 174.900 -0.149 0.000 1.036 304 G CA 0.452 45.459 45.100 -0.155 0.000 0.887 304 G HN 0.488 nan 8.290 nan 0.000 0.505 305 L N -0.060 121.083 121.223 -0.133 0.000 2.467 305 L HA 0.357 4.697 4.340 0.000 0.000 0.270 305 L C 1.704 178.501 176.870 -0.121 0.000 1.205 305 L CA 0.556 55.334 54.840 -0.103 0.000 0.828 305 L CB 1.075 43.113 42.059 -0.035 0.000 1.101 305 L HN 0.438 nan 8.230 nan 0.000 0.479 306 S N -0.610 115.061 115.700 -0.049 0.000 2.593 306 S HA 0.481 4.951 4.470 0.000 0.000 0.236 306 S C 0.270 174.914 174.600 0.075 0.000 0.991 306 S CA 0.037 58.228 58.200 -0.014 0.000 0.963 306 S CB 0.455 63.670 63.200 0.024 0.000 0.865 306 S HN 0.986 nan 8.310 nan 0.000 0.488 307 G N 0.441 109.289 108.800 0.079 0.000 2.325 307 G HA2 0.433 4.393 3.960 0.000 0.000 0.297 307 G HA3 0.433 4.393 3.960 0.000 0.000 0.297 307 G C -2.117 172.869 174.900 0.144 0.000 1.448 307 G CA -1.006 44.206 45.100 0.186 0.000 0.838 307 G HN 0.286 nan 8.290 nan 0.000 0.579 308 L N 0.111 121.432 121.223 0.163 0.000 2.354 308 L HA 0.745 5.085 4.340 0.000 0.000 0.264 308 L C -0.211 176.679 176.870 0.033 0.000 1.008 308 L CA -1.194 53.705 54.840 0.098 0.000 0.819 308 L CB 2.393 44.540 42.059 0.147 0.000 1.339 308 L HN 0.460 nan 8.230 nan 0.000 0.420 309 R N 2.792 123.226 120.500 -0.110 0.000 2.393 309 R HA 0.558 4.898 4.340 0.000 0.000 0.315 309 R C -1.221 175.054 176.300 -0.041 0.000 0.952 309 R CA -0.551 55.396 56.100 -0.255 0.000 0.842 309 R CB 1.117 30.961 30.300 -0.761 0.000 1.163 309 R HN 0.579 nan 8.270 nan 0.000 0.450 310 I N 3.432 124.027 120.570 0.042 0.000 2.307 310 I HA 0.140 4.310 4.170 0.000 0.000 0.289 310 I C 0.420 176.647 176.117 0.182 0.000 1.021 310 I CA -0.773 60.618 61.300 0.153 0.000 1.224 310 I CB 1.362 39.525 38.000 0.272 0.000 1.376 310 I HN 0.450 nan 8.210 nan 0.000 0.470 311 D N 4.519 125.031 120.400 0.185 0.000 2.382 311 D HA 0.047 4.687 4.640 0.000 0.000 0.240 311 D C 0.606 177.025 176.300 0.197 0.000 1.146 311 D CA 0.457 54.577 54.000 0.199 0.000 0.897 311 D CB 0.776 41.715 40.800 0.232 0.000 1.197 311 D HN 0.780 nan 8.370 nan 0.000 0.432 312 T N 0.834 115.522 114.554 0.224 0.000 3.398 312 T HA -0.343 4.007 4.350 0.000 0.000 0.408 312 T C 0.855 175.769 174.700 0.356 0.000 0.769 312 T CA 1.147 63.469 62.100 0.370 0.000 2.018 312 T CB -2.050 66.994 68.868 0.293 0.000 1.703 312 T HN 0.529 nan 8.240 nan 0.000 0.639 313 Y N 2.107 122.467 120.300 0.101 0.000 2.030 313 Y HA -0.021 4.529 4.550 0.000 0.000 0.274 313 Y C 2.476 178.212 175.900 -0.274 0.000 1.153 313 Y CA 2.434 60.458 58.100 -0.127 0.000 1.115 313 Y CB -0.948 37.341 38.460 -0.286 0.000 0.969 313 Y HN 0.580 nan 8.280 nan 0.000 0.488 314 G N -2.402 106.193 108.800 -0.342 0.000 2.625 314 G HA2 -0.240 3.720 3.960 0.000 0.000 0.214 314 G HA3 -0.240 3.720 3.960 0.000 0.000 0.214 314 G C 0.989 175.763 174.900 -0.211 0.000 1.132 314 G CA 0.406 45.281 45.100 -0.376 0.000 0.782 314 G HN 0.532 nan 8.290 nan 0.000 0.538 315 Y N 0.995 121.110 120.300 -0.308 0.000 2.583 315 Y HA 0.201 4.751 4.550 0.000 0.000 0.293 315 Y C 1.706 177.393 175.900 -0.355 0.000 1.157 315 Y CA -0.048 57.699 58.100 -0.589 0.000 1.315 315 Y CB 0.270 38.469 38.460 -0.435 0.000 1.021 315 Y HN 0.028 nan 8.280 nan 0.000 0.536 316 S N 0.007 115.620 115.700 -0.144 0.000 2.610 316 S HA 0.060 4.530 4.470 0.000 0.000 0.273 316 S C -0.510 174.073 174.600 -0.028 0.000 1.274 316 S CA -0.943 57.190 58.200 -0.112 0.000 1.023 316 S CB 0.635 63.785 63.200 -0.084 0.000 0.962 316 S HN 0.250 nan 8.310 nan 0.000 0.523 317 D N 0.988 121.395 120.400 0.012 0.000 2.493 317 D HA 0.202 4.842 4.640 0.000 0.000 0.240 317 D C 1.411 177.840 176.300 0.215 0.000 1.142 317 D CA 0.551 54.605 54.000 0.091 0.000 0.872 317 D CB 0.510 41.340 40.800 0.050 0.000 1.173 317 D HN 0.490 nan 8.370 nan 0.000 0.467 318 G N 3.109 112.045 108.800 0.227 0.000 2.446 318 G HA2 -0.271 3.689 3.960 0.000 0.000 0.217 318 G HA3 -0.271 3.689 3.960 0.000 0.000 0.217 318 G C 1.449 176.613 174.900 0.440 0.000 1.168 318 G CA 0.854 46.161 45.100 0.345 0.000 0.771 318 G HN 0.649 nan 8.290 nan 0.000 0.551 319 A N 0.299 123.299 122.820 0.300 0.000 1.933 319 A HA 0.085 4.405 4.320 0.000 0.000 0.218 319 A C 2.164 179.866 177.584 0.197 0.000 1.175 319 A CA 1.610 53.782 52.037 0.226 0.000 0.628 319 A CB -0.521 18.568 19.000 0.149 0.000 0.814 319 A HN 0.476 nan 8.150 nan 0.000 0.444 320 F N 0.692 120.694 119.950 0.085 0.000 2.134 320 F HA -0.122 4.405 4.527 0.000 0.000 0.299 320 F C 1.764 177.631 175.800 0.111 0.000 1.097 320 F CA 1.670 59.703 58.000 0.054 0.000 1.264 320 F CB -0.341 38.645 39.000 -0.023 0.000 1.001 320 F HN 0.134 nan 8.300 nan 0.000 0.479 321 L N -0.315 120.865 121.223 -0.072 0.000 2.083 321 L HA -0.210 4.131 4.340 0.000 0.000 0.209 321 L C 2.371 179.287 176.870 0.076 0.000 1.083 321 L CA 1.674 56.450 54.840 -0.106 0.000 0.752 321 L CB -1.222 40.874 42.059 0.063 0.000 0.899 321 L HN 0.153 nan 8.230 nan 0.000 0.433 322 T N -0.912 113.728 114.554 0.143 0.000 2.684 322 T HA -0.243 4.107 4.350 0.000 0.000 0.267 322 T C 1.804 176.501 174.700 -0.005 0.000 1.036 322 T CA 1.771 63.915 62.100 0.074 0.000 1.148 322 T CB -0.134 68.733 68.868 -0.002 0.000 0.863 322 T HN 0.250 nan 8.240 nan 0.000 0.436 323 E N 0.275 120.438 120.200 -0.061 0.000 2.072 323 E HA -0.113 4.237 4.350 0.000 0.000 0.191 323 E C 1.861 178.372 176.600 -0.149 0.000 0.985 323 E CA 1.078 57.419 56.400 -0.099 0.000 0.801 323 E CB -0.503 29.163 29.700 -0.057 0.000 0.750 323 E HN 0.660 nan 8.360 nan 0.000 0.452 324 Y N 1.006 121.060 120.300 -0.410 0.000 2.114 324 Y HA -0.233 4.317 4.550 0.000 0.000 0.284 324 Y C 2.391 178.196 175.900 -0.157 0.000 1.143 324 Y CA 2.907 60.776 58.100 -0.383 0.000 1.135 324 Y CB -0.892 37.118 38.460 -0.750 0.000 0.980 324 Y HN 0.225 nan 8.280 nan 0.000 0.499 325 T N -1.018 113.587 114.554 0.084 0.000 2.746 325 T HA -0.221 4.129 4.350 0.000 0.000 0.267 325 T C 2.068 176.705 174.700 -0.105 0.000 1.039 325 T CA 1.471 63.620 62.100 0.082 0.000 1.142 325 T CB -0.609 68.430 68.868 0.284 0.000 0.866 325 T HN 0.403 nan 8.240 nan 0.000 0.444 326 R N 0.842 121.193 120.500 -0.249 0.000 2.080 326 R HA -0.093 4.247 4.340 0.000 0.000 0.236 326 R C 2.813 178.924 176.300 -0.315 0.000 1.137 326 R CA 1.176 56.941 56.100 -0.559 0.000 0.943 326 R CB -0.129 29.866 30.300 -0.508 0.000 0.846 326 R HN 0.233 nan 8.270 nan 0.000 0.431 327 R N 0.415 120.770 120.500 -0.242 0.000 2.081 327 R HA -0.072 4.268 4.340 0.000 0.000 0.235 327 R C 1.174 177.367 176.300 -0.178 0.000 1.131 327 R CA 0.686 56.669 56.100 -0.194 0.000 0.960 327 R CB -0.929 29.244 30.300 -0.212 0.000 0.856 327 R HN 0.122 nan 8.270 nan 0.000 0.436 331 E N -0.482 119.582 120.200 -0.228 0.000 2.072 331 E HA 0.003 4.353 4.350 0.000 0.000 0.190 331 E C -0.518 175.651 176.600 -0.718 0.000 0.982 331 E CA 1.210 57.284 56.400 -0.544 0.000 0.803 331 E CB -0.093 29.110 29.700 -0.830 0.000 0.755 331 E HN 0.701 nan 8.360 nan 0.000 0.453 332 Y N 0.047 120.317 120.300 -0.050 0.000 2.705 332 Y HA 0.252 4.802 4.550 0.000 0.000 0.355 332 Y C -1.789 174.082 175.900 -0.048 0.000 1.039 332 Y CA -2.322 55.745 58.100 -0.056 0.000 1.233 332 Y CB 1.286 39.707 38.460 -0.066 0.000 1.103 332 Y HN -0.034 nan 8.280 nan 0.000 0.624 333 P HA -0.088 nan 4.420 nan 0.000 0.225 333 P C 0.743 178.053 177.300 0.017 0.000 1.148 333 P CA 1.273 64.388 63.100 0.027 0.000 0.779 333 P CB 0.371 32.075 31.700 0.006 0.000 0.780 334 R N -1.578 118.933 120.500 0.018 0.000 2.432 334 R HA 0.222 4.563 4.340 0.000 0.000 0.260 334 R C 0.465 176.733 176.300 -0.055 0.000 0.935 334 R CA -0.633 55.453 56.100 -0.022 0.000 1.080 334 R CB -0.143 30.144 30.300 -0.022 0.000 1.155 334 R HN 0.126 nan 8.270 nan 0.000 0.531 335 L N 0.910 122.119 121.223 -0.024 0.000 2.467 335 L HA 0.116 4.457 4.340 0.000 0.000 0.270 335 L C 0.129 176.893 176.870 -0.176 0.000 1.205 335 L CA 0.392 55.183 54.840 -0.082 0.000 0.828 335 L CB 0.461 42.512 42.059 -0.012 0.000 1.101 335 L HN -0.015 nan 8.230 nan 0.000 0.479 339 G N 3.642 112.337 108.800 -0.175 0.000 2.367 339 G HA2 0.568 4.528 3.960 0.000 0.000 0.314 339 G HA3 0.568 4.528 3.960 0.000 0.000 0.314 339 G C -0.528 174.331 174.900 -0.068 0.000 1.130 339 G CA -0.301 44.641 45.100 -0.263 0.000 0.864 339 G HN 0.932 nan 8.290 nan 0.000 0.486 340 E N 1.556 121.817 120.200 0.102 0.000 1.993 340 E HA 0.173 4.524 4.350 0.000 0.000 0.271 340 E C -0.781 176.001 176.600 0.304 0.000 1.008 340 E CA -0.378 56.181 56.400 0.265 0.000 0.814 340 E CB 0.715 30.598 29.700 0.304 0.000 1.098 340 E HN 0.422 nan 8.360 nan 0.000 0.407 341 E N 5.561 125.934 120.200 0.289 0.000 2.073 341 E HA 0.052 4.402 4.350 0.000 0.000 0.269 341 E C -1.258 175.462 176.600 0.199 0.000 0.917 341 E CA -0.639 55.906 56.400 0.242 0.000 0.757 341 E CB 0.407 30.206 29.700 0.166 0.000 1.111 341 E HN 0.462 nan 8.360 nan 0.000 0.410 342 W N 5.865 127.094 121.300 -0.119 0.000 2.351 342 W HA 0.340 5.000 4.660 0.000 0.000 0.421 342 W C -0.812 175.563 176.519 -0.239 0.000 1.000 342 W CA -0.021 56.989 57.345 -0.559 0.000 1.610 342 W CB 0.114 29.321 29.460 -0.421 0.000 1.700 342 W HN 0.484 nan 8.180 nan 0.000 0.351 343 S N 2.717 118.364 115.700 -0.089 0.000 2.536 343 S HA 0.309 4.779 4.470 0.000 0.000 0.271 343 S C 0.569 175.204 174.600 0.059 0.000 1.134 343 S CA -0.218 58.028 58.200 0.078 0.000 0.897 343 S CB 1.390 64.675 63.200 0.143 0.000 1.094 343 S HN 0.306 nan 8.310 nan 0.000 0.473 344 T N 0.978 115.578 114.554 0.076 0.000 3.163 344 T HA 0.365 4.715 4.350 0.000 0.000 0.252 344 T C 0.355 175.104 174.700 0.081 0.000 1.056 344 T CA -0.200 61.953 62.100 0.089 0.000 0.947 344 T CB -0.295 68.618 68.868 0.076 0.000 1.016 344 T HN 0.495 nan 8.240 nan 0.000 0.554 345 R N 0.662 121.209 120.500 0.078 0.000 2.255 345 R HA 0.496 4.836 4.340 0.000 0.000 0.326 345 R C 0.847 177.171 176.300 0.039 0.000 0.986 345 R CA -0.487 55.639 56.100 0.044 0.000 0.847 345 R CB 1.620 31.936 30.300 0.027 0.000 1.111 345 R HN -0.026 nan 8.270 nan 0.000 0.452 346 V N 5.277 125.187 119.914 -0.006 0.000 2.287 346 V HA -0.181 3.940 4.120 0.000 0.000 0.248 346 V C -1.026 174.940 176.094 -0.213 0.000 1.053 346 V CA 1.768 64.014 62.300 -0.090 0.000 1.027 346 V CB -0.884 30.840 31.823 -0.164 0.000 0.646 346 V HN 0.676 nan 8.190 nan 0.000 0.447 347 P HA -0.090 nan 4.420 nan 0.000 0.216 347 P C 1.886 179.121 177.300 -0.108 0.000 1.150 347 P CA 1.193 64.183 63.100 -0.183 0.000 0.837 347 P CB -0.088 31.527 31.700 -0.142 0.000 0.786 348 V N -0.574 119.322 119.914 -0.031 0.000 2.358 348 V HA -0.172 3.948 4.120 0.000 0.000 0.246 348 V C 2.465 178.666 176.094 0.178 0.000 1.047 348 V CA 1.658 63.985 62.300 0.045 0.000 1.035 348 V CB -1.140 30.732 31.823 0.080 0.000 0.658 348 V HN -0.033 nan 8.190 nan 0.000 0.452 349 V N 0.369 120.407 119.914 0.207 0.000 2.379 349 V HA -0.169 3.951 4.120 0.000 0.000 0.245 349 V C 2.704 179.012 176.094 0.357 0.000 1.044 349 V CA 1.781 64.306 62.300 0.374 0.000 1.036 349 V CB -1.089 30.967 31.823 0.388 0.000 0.664 349 V HN 0.536 nan 8.190 nan 0.000 0.453 350 A N 0.082 122.937 122.820 0.058 0.000 2.019 350 A HA -0.233 4.087 4.320 0.000 0.000 0.219 350 A C 2.376 179.979 177.584 0.032 0.000 1.164 350 A CA 1.602 53.604 52.037 -0.058 0.000 0.644 350 A CB -0.624 18.037 19.000 -0.564 0.000 0.805 350 A HN 0.379 nan 8.150 nan 0.000 0.449 351 R N -0.914 119.547 120.500 -0.065 0.000 2.139 351 R HA -0.209 4.131 4.340 0.000 0.000 0.243 351 R C 1.414 177.632 176.300 -0.137 0.000 1.145 351 R CA 1.894 57.870 56.100 -0.207 0.000 0.976 351 R CB -0.405 29.599 30.300 -0.493 0.000 0.866 351 R HN 0.773 nan 8.270 nan 0.000 0.449 352 W N 0.654 122.067 121.300 0.189 0.000 3.077 352 W HA 0.175 4.835 4.660 0.000 0.000 0.266 352 W C 0.998 177.626 176.519 0.181 0.000 1.300 352 W CA -0.508 56.992 57.345 0.258 0.000 1.586 352 W CB 0.184 29.772 29.460 0.213 0.000 1.103 352 W HN 0.083 nan 8.180 nan 0.000 0.652 353 Q N 2.533 122.524 119.800 0.319 0.000 2.327 353 Q HA 0.088 4.428 4.340 0.000 0.000 0.254 353 Q C 0.848 176.926 176.000 0.131 0.000 0.952 353 Q CA -0.588 55.339 55.803 0.205 0.000 0.884 353 Q CB 0.685 29.544 28.738 0.202 0.000 1.224 353 Q HN 0.120 nan 8.270 nan 0.000 0.422 354 R N 1.983 122.528 120.500 0.074 0.000 2.640 354 R HA 0.191 4.531 4.340 0.000 0.000 0.270 354 R C 0.586 176.867 176.300 -0.033 0.000 1.024 354 R CA 0.691 56.781 56.100 -0.016 0.000 1.085 354 R CB 0.060 30.318 30.300 -0.070 0.000 0.963 354 R HN 0.863 nan 8.270 nan 0.000 0.426 355 G N 1.509 110.265 108.800 -0.074 0.000 2.195 355 G HA2 -0.332 3.629 3.960 0.000 0.000 0.246 355 G HA3 -0.332 3.629 3.960 0.000 0.000 0.246 355 G C -0.011 174.878 174.900 -0.018 0.000 0.984 355 G CA 0.435 45.503 45.100 -0.054 0.000 0.633 355 G HN 0.750 nan 8.290 nan 0.000 0.525 356 K N 1.465 121.867 120.400 0.004 0.000 2.368 356 K HA 0.645 4.965 4.320 0.000 0.000 0.282 356 K C 0.501 177.101 176.600 0.001 0.000 1.035 356 K CA 0.540 56.837 56.287 0.016 0.000 0.973 356 K CB 0.731 33.254 32.500 0.038 0.000 0.957 356 K HN 0.887 nan 8.250 nan 0.000 0.474 357 A N 5.148 127.971 122.820 0.005 0.000 2.391 357 A HA 0.295 4.616 4.320 0.000 0.000 0.316 357 A C -0.781 176.814 177.584 0.019 0.000 1.381 357 A CA -0.637 51.402 52.037 0.003 0.000 0.998 357 A CB -0.495 18.510 19.000 0.008 0.000 1.147 357 A HN 0.936 nan 8.150 nan 0.000 0.545 358 N N 0.875 119.582 118.700 0.013 0.000 2.487 358 N HA 0.417 5.157 4.740 0.000 0.000 0.292 358 N C 0.682 176.206 175.510 0.023 0.000 1.108 358 N CA -0.564 52.508 53.050 0.037 0.000 0.956 358 N CB 0.769 39.262 38.487 0.010 0.000 1.176 358 N HN 0.677 nan 8.380 nan 0.000 0.484 359 F N 0.675 120.592 119.950 -0.056 0.000 2.333 359 F HA -0.010 4.517 4.527 0.000 0.000 0.300 359 F C 1.023 176.793 175.800 -0.049 0.000 1.083 359 F CA 0.611 58.577 58.000 -0.056 0.000 1.395 359 F CB -0.182 38.772 39.000 -0.078 0.000 1.056 359 F HN 0.417 nan 8.300 nan 0.000 0.529 360 D N -1.117 118.685 120.400 -0.995 0.000 2.402 360 D HA 0.234 4.874 4.640 0.000 0.000 0.216 360 D C 1.788 177.888 176.300 -0.332 0.000 1.128 360 D CA 0.255 53.759 54.000 -0.827 0.000 0.833 360 D CB -0.124 40.042 40.800 -1.057 0.000 0.971 360 D HN 0.435 nan 8.370 nan 0.000 0.503 361 G N 0.206 108.884 108.800 -0.203 0.000 2.179 361 G HA2 -0.354 3.606 3.960 0.000 0.000 0.260 361 G HA3 -0.354 3.606 3.960 0.000 0.000 0.260 361 G C -0.054 174.808 174.900 -0.063 0.000 0.977 361 G CA 0.141 45.179 45.100 -0.104 0.000 0.641 361 G HN 0.472 nan 8.290 nan 0.000 0.533 362 Y N 2.904 123.102 120.300 -0.171 0.000 2.717 362 Y HA 0.408 4.958 4.550 0.000 0.000 0.330 362 Y C 1.104 176.963 175.900 -0.068 0.000 1.217 362 Y CA 0.821 58.848 58.100 -0.123 0.000 1.506 362 Y CB 0.549 38.897 38.460 -0.186 0.000 1.268 362 Y HN 0.492 nan 8.280 nan 0.000 0.561 363 T N 2.118 116.205 114.554 -0.778 0.000 2.924 363 T HA 0.726 5.076 4.350 0.000 0.000 0.291 363 T C -0.671 173.668 174.700 -0.601 0.000 1.045 363 T CA -0.770 61.037 62.100 -0.489 0.000 1.015 363 T CB 1.713 70.436 68.868 -0.243 0.000 1.103 363 T HN 0.658 nan 8.240 nan 0.000 0.496 364 S N -0.535 115.042 115.700 -0.205 0.000 2.547 364 S HA 0.457 4.927 4.470 0.000 0.000 0.270 364 S C -1.196 173.435 174.600 0.052 0.000 1.150 364 S CA -0.638 57.588 58.200 0.043 0.000 0.850 364 S CB 1.245 64.603 63.200 0.264 0.000 1.118 364 S HN 0.870 nan 8.310 nan 0.000 0.461 365 H N 1.611 120.726 119.070 0.076 0.000 2.542 365 H HA 0.390 4.946 4.556 0.000 0.000 0.283 365 H C -0.073 175.302 175.328 0.078 0.000 1.059 365 H CA -0.224 55.857 56.048 0.055 0.000 1.162 365 H CB 0.401 30.179 29.762 0.026 0.000 1.539 365 H HN 0.323 nan 8.280 nan 0.000 0.543 366 L N 3.256 124.604 121.223 0.209 0.000 2.530 366 L HA 0.168 4.508 4.340 0.000 0.000 0.273 366 L C -1.724 175.180 176.870 0.057 0.000 1.141 366 L CA -1.480 53.441 54.840 0.136 0.000 0.905 366 L CB 0.916 43.034 42.059 0.097 0.000 1.202 366 L HN -0.031 nan 8.230 nan 0.000 0.473 367 P HA 0.001 nan 4.420 nan 0.000 0.225 367 P C -0.191 177.082 177.300 -0.044 0.000 1.156 367 P CA 0.506 63.588 63.100 -0.030 0.000 0.787 367 P CB 0.372 32.026 31.700 -0.077 0.000 0.802 368 S N -1.766 113.906 115.700 -0.046 0.000 2.570 368 S HA 0.679 5.149 4.470 0.000 0.000 0.270 368 S C -1.505 173.065 174.600 -0.051 0.000 1.149 368 S CA -0.646 57.527 58.200 -0.046 0.000 0.837 368 S CB 0.350 63.526 63.200 -0.039 0.000 1.124 368 S HN -0.166 nan 8.310 nan 0.000 0.465 372 F N 0.694 120.671 119.950 0.044 0.000 2.134 372 F HA 0.040 4.568 4.527 0.000 0.000 0.299 372 F C -0.574 175.171 175.800 -0.092 0.000 1.097 372 F CA 1.054 59.012 58.000 -0.070 0.000 1.264 372 F CB -1.137 37.745 39.000 -0.196 0.000 1.001 372 F HN 0.295 nan 8.300 nan 0.000 0.479 373 P HA -0.186 nan 4.420 nan 0.000 0.215 373 P C 1.896 179.224 177.300 0.046 0.000 1.153 373 P CA 1.201 64.359 63.100 0.098 0.000 0.853 373 P CB 0.016 31.793 31.700 0.127 0.000 0.788 374 L N -1.020 120.217 121.223 0.025 0.000 2.109 374 L HA -0.079 4.261 4.340 0.000 0.000 0.207 374 L C 2.217 179.090 176.870 0.005 0.000 1.086 374 L CA 1.573 56.437 54.840 0.040 0.000 0.760 374 L CB -1.068 41.021 42.059 0.049 0.000 0.910 374 L HN -0.200 nan 8.230 nan 0.000 0.437 375 V N -0.271 119.543 119.914 -0.166 0.000 2.261 375 V HA -0.317 3.804 4.120 0.000 0.000 0.246 375 V C 2.294 178.320 176.094 -0.114 0.000 1.047 375 V CA 1.973 64.115 62.300 -0.263 0.000 1.015 375 V CB -0.685 30.685 31.823 -0.756 0.000 0.642 375 V HN 0.547 nan 8.190 nan 0.000 0.446 376 D N 0.354 120.716 120.400 -0.062 0.000 2.116 376 D HA -0.109 4.531 4.640 0.000 0.000 0.193 376 D C 1.280 177.570 176.300 -0.015 0.000 0.998 376 D CA 1.235 55.233 54.000 -0.004 0.000 0.836 376 D CB -0.211 40.610 40.800 0.036 0.000 0.951 376 D HN 0.532 nan 8.370 nan 0.000 0.449 380 N N 2.076 120.758 118.700 -0.030 0.000 2.043 380 N HA -0.109 4.631 4.740 0.000 0.000 0.193 380 N C 1.691 177.174 175.510 -0.045 0.000 1.037 380 N CA 2.104 55.138 53.050 -0.027 0.000 0.851 380 N CB -0.390 38.082 38.487 -0.025 0.000 1.027 380 N HN 0.301 nan 8.380 nan 0.000 0.422 381 A N 1.354 124.126 122.820 -0.079 0.000 1.873 381 A HA -0.133 4.187 4.320 0.000 0.000 0.218 381 A C 2.397 179.940 177.584 -0.068 0.000 1.193 381 A CA 1.295 53.273 52.037 -0.097 0.000 0.629 381 A CB -0.941 17.958 19.000 -0.167 0.000 0.826 381 A HN 0.260 nan 8.150 nan 0.000 0.447 382 L N 0.051 121.237 121.223 -0.062 0.000 2.056 382 L HA -0.171 4.169 4.340 0.000 0.000 0.207 382 L C 3.087 179.948 176.870 -0.015 0.000 1.078 382 L CA 1.702 56.523 54.840 -0.031 0.000 0.749 382 L CB -0.567 41.480 42.059 -0.019 0.000 0.901 382 L HN 0.675 nan 8.230 nan 0.000 0.433 383 S N -0.175 115.517 115.700 -0.014 0.000 2.348 383 S HA -0.139 4.331 4.470 0.000 0.000 0.219 383 S C 1.323 175.919 174.600 -0.007 0.000 1.033 383 S CA 0.327 58.523 58.200 -0.006 0.000 0.974 383 S CB -0.389 62.812 63.200 0.003 0.000 0.868 383 S HN 0.228 nan 8.310 nan 0.000 0.459 384 K N 2.334 122.727 120.400 -0.011 0.000 2.256 384 K HA 0.071 4.391 4.320 0.000 0.000 0.213 384 K C 0.625 177.219 176.600 -0.010 0.000 1.182 384 K CA 0.295 56.576 56.287 -0.010 0.000 1.224 384 K CB -0.670 31.822 32.500 -0.015 0.000 1.197 384 K HN 0.382 nan 8.250 nan 0.000 0.223 385 T N 0.525 115.076 114.554 -0.005 0.000 2.778 385 T HA -0.168 4.182 4.350 0.000 0.000 0.269 385 T C 1.965 176.663 174.700 -0.002 0.000 1.050 385 T CA 1.710 63.809 62.100 -0.002 0.000 1.137 385 T CB -0.048 68.820 68.868 0.001 0.000 0.860 385 T HN 0.726 nan 8.240 nan 0.000 0.468 386 G N 1.401 110.201 108.800 -0.001 0.000 2.422 386 G HA2 -0.110 3.851 3.960 0.000 0.000 0.218 386 G HA3 -0.110 3.851 3.960 0.000 0.000 0.218 386 G C 0.662 175.560 174.900 -0.003 0.000 1.146 386 G CA 0.276 45.376 45.100 -0.001 0.000 0.769 386 G HN 0.352 nan 8.290 nan 0.000 0.547 387 E N 0.094 120.289 120.200 -0.007 0.000 2.415 387 E HA 0.093 4.443 4.350 0.000 0.000 0.262 387 E C 0.789 177.382 176.600 -0.012 0.000 1.038 387 E CA -0.066 56.327 56.400 -0.011 0.000 0.921 387 E CB 1.351 31.040 29.700 -0.019 0.000 0.950 387 E HN 0.473 nan 8.360 nan 0.000 0.438 388 E N 1.224 121.417 120.200 -0.012 0.000 2.400 388 E HA -0.052 4.298 4.350 0.000 0.000 0.195 388 E C 0.178 176.768 176.600 -0.017 0.000 1.012 388 E CA 0.190 56.584 56.400 -0.010 0.000 0.875 388 E CB 0.387 30.084 29.700 -0.005 0.000 0.859 388 E HN 0.194 nan 8.360 nan 0.000 0.498 389 N N -0.891 117.792 118.700 -0.028 0.000 2.628 389 N HA 0.127 4.867 4.740 0.000 0.000 0.299 389 N C 0.494 175.963 175.510 -0.068 0.000 1.834 389 N CA 0.237 53.260 53.050 -0.045 0.000 0.871 389 N CB 0.661 39.123 38.487 -0.041 0.000 1.377 389 N HN 0.111 nan 8.380 nan 0.000 0.493 390 G N 0.072 108.832 108.800 -0.066 0.000 2.450 390 G HA2 -0.203 3.757 3.960 0.000 0.000 0.220 390 G HA3 -0.203 3.757 3.960 0.000 0.000 0.220 390 G C 1.273 176.092 174.900 -0.135 0.000 1.130 390 G CA 0.525 45.577 45.100 -0.080 0.000 0.760 390 G HN 0.444 nan 8.290 nan 0.000 0.557 391 L N 0.399 121.514 121.223 -0.178 0.000 2.450 391 L HA -0.085 4.255 4.340 0.000 0.000 0.224 391 L C 2.564 179.199 176.870 -0.390 0.000 1.149 391 L CA 0.531 55.175 54.840 -0.326 0.000 0.816 391 L CB -0.320 41.530 42.059 -0.349 0.000 0.932 391 L HN 0.224 nan 8.230 nan 0.000 0.449 392 N N 0.488 119.052 118.700 -0.227 0.000 2.166 392 N HA -0.226 4.514 4.740 0.000 0.000 0.186 392 N C 1.730 177.200 175.510 -0.067 0.000 1.019 392 N CA 1.222 54.198 53.050 -0.125 0.000 0.856 392 N CB 0.087 38.544 38.487 -0.050 0.000 0.993 392 N HN 0.284 nan 8.380 nan 0.000 0.426 393 E N -0.718 119.421 120.200 -0.101 0.000 2.118 393 E HA -0.144 4.206 4.350 0.000 0.000 0.195 393 E C 1.705 178.246 176.600 -0.099 0.000 0.992 393 E CA 1.025 57.379 56.400 -0.076 0.000 0.804 393 E CB 0.099 29.754 29.700 -0.074 0.000 0.741 393 E HN 0.179 nan 8.360 nan 0.000 0.458 394 V N 0.389 120.179 119.914 -0.206 0.000 2.379 394 V HA -0.243 3.877 4.120 0.000 0.000 0.245 394 V C 1.984 177.998 176.094 -0.134 0.000 1.044 394 V CA 1.821 63.981 62.300 -0.232 0.000 1.036 394 V CB -0.574 30.935 31.823 -0.522 0.000 0.664 394 V HN 0.371 nan 8.190 nan 0.000 0.453 395 Y N 1.468 121.533 120.300 -0.392 0.000 2.114 395 Y HA -0.234 4.316 4.550 0.000 0.000 0.284 395 Y C 2.530 178.433 175.900 0.006 0.000 1.143 395 Y CA 2.126 60.094 58.100 -0.220 0.000 1.135 395 Y CB -0.311 37.918 38.460 -0.386 0.000 0.980 395 Y HN 0.331 nan 8.280 nan 0.000 0.499 396 E N -0.796 119.330 120.200 -0.124 0.000 2.077 396 E HA -0.172 4.179 4.350 0.000 0.000 0.193 396 E C 2.092 178.653 176.600 -0.065 0.000 0.989 396 E CA 1.756 58.061 56.400 -0.158 0.000 0.800 396 E CB -0.232 29.447 29.700 -0.035 0.000 0.746 396 E HN 0.483 nan 8.360 nan 0.000 0.452 397 T N 1.789 116.334 114.554 -0.015 0.000 2.746 397 T HA -0.122 4.228 4.350 0.000 0.000 0.267 397 T C 1.968 176.705 174.700 0.062 0.000 1.039 397 T CA 0.670 62.783 62.100 0.023 0.000 1.142 397 T CB -0.201 68.688 68.868 0.035 0.000 0.866 397 T HN 0.093 nan 8.240 nan 0.000 0.444 398 L N 1.523 122.811 121.223 0.108 0.000 2.079 398 L HA -0.137 4.204 4.340 0.000 0.000 0.210 398 L C 2.741 179.682 176.870 0.117 0.000 1.081 398 L CA 1.493 56.425 54.840 0.154 0.000 0.752 398 L CB -0.477 41.764 42.059 0.305 0.000 0.896 398 L HN 0.398 nan 8.230 nan 0.000 0.433 399 S N -0.750 115.007 115.700 0.096 0.000 2.507 399 S HA -0.098 4.372 4.470 0.000 0.000 0.235 399 S C 1.587 176.283 174.600 0.159 0.000 0.988 399 S CA 0.562 58.817 58.200 0.092 0.000 0.944 399 S CB -0.395 62.773 63.200 -0.053 0.000 0.762 399 S HN 0.456 nan 8.310 nan 0.000 0.526 400 L N 0.964 122.216 121.223 0.047 0.000 2.612 400 L HA 0.193 4.534 4.340 0.000 0.000 0.230 400 L C 1.447 178.163 176.870 -0.256 0.000 1.140 400 L CA 0.065 54.807 54.840 -0.163 0.000 0.896 400 L CB -0.371 41.589 42.059 -0.164 0.000 1.065 400 L HN 0.147 nan 8.230 nan 0.000 0.447 401 D N 0.414 120.829 120.400 0.024 0.000 2.228 401 D HA -0.239 4.402 4.640 0.000 0.000 0.203 401 D C 1.893 178.249 176.300 0.092 0.000 0.988 401 D CA 1.336 55.425 54.000 0.149 0.000 0.864 401 D CB -0.027 40.840 40.800 0.113 0.000 0.928 401 D HN 0.564 nan 8.370 nan 0.000 0.469 402 Y N -0.680 119.657 120.300 0.061 0.000 2.569 402 Y HA 0.035 4.585 4.550 0.000 0.000 0.293 402 Y C 1.770 177.672 175.900 0.003 0.000 1.144 402 Y CA 0.425 58.544 58.100 0.031 0.000 1.321 402 Y CB -0.796 37.667 38.460 0.006 0.000 0.982 402 Y HN -0.037 nan 8.280 nan 0.000 0.558 403 L N -0.788 120.041 121.223 -0.656 0.000 2.291 403 L HA -0.057 4.283 4.340 0.000 0.000 0.214 403 L C 0.082 176.754 176.870 -0.329 0.000 1.120 403 L CA 0.348 54.867 54.840 -0.536 0.000 0.799 403 L CB -0.366 41.267 42.059 -0.710 0.000 0.925 403 L HN 0.188 nan 8.230 nan 0.000 0.446 404 Y N -0.040 120.196 120.300 -0.107 0.000 2.310 404 Y HA 0.181 4.731 4.550 0.000 0.000 0.326 404 Y C -1.241 174.649 175.900 -0.016 0.000 1.151 404 Y CA -2.426 55.649 58.100 -0.042 0.000 1.195 404 Y CB 0.094 38.533 38.460 -0.034 0.000 1.210 404 Y HN -0.164 nan 8.280 nan 0.000 0.483 405 P HA -0.105 nan 4.420 nan 0.000 0.219 405 P C -0.604 176.739 177.300 0.071 0.000 1.150 405 P CA 1.317 64.469 63.100 0.087 0.000 0.814 405 P CB 0.504 32.237 31.700 0.055 0.000 0.787 406 E N -0.212 120.032 120.200 0.072 0.000 3.666 406 E HA 0.152 4.502 4.350 0.000 0.000 0.230 406 E C -2.030 174.543 176.600 -0.046 0.000 1.235 406 E CA -1.549 54.856 56.400 0.008 0.000 1.096 406 E CB 0.989 30.678 29.700 -0.019 0.000 1.287 406 E HN 0.234 nan 8.360 nan 0.000 0.406 407 P HA -0.205 nan 4.420 nan 0.000 0.220 407 P C 0.787 177.957 177.300 -0.216 0.000 1.148 407 P CA 1.103 64.064 63.100 -0.233 0.000 0.803 407 P CB 0.380 32.043 31.700 -0.062 0.000 0.782 408 Q N -0.863 118.863 119.800 -0.122 0.000 2.444 408 Q HA -0.007 4.334 4.340 0.000 0.000 0.206 408 Q C 1.255 177.195 176.000 -0.101 0.000 0.948 408 Q CA 0.313 56.050 55.803 -0.109 0.000 0.946 408 Q CB -0.483 28.207 28.738 -0.081 0.000 1.027 408 Q HN 0.198 nan 8.270 nan 0.000 0.513 409 N N -0.079 118.555 118.700 -0.110 0.000 2.236 409 N HA 0.112 4.852 4.740 0.000 0.000 0.196 409 N C -0.330 175.125 175.510 -0.093 0.000 1.114 409 N CA -0.045 52.950 53.050 -0.092 0.000 0.859 409 N CB 0.448 38.880 38.487 -0.091 0.000 0.982 409 N HN 0.080 nan 8.380 nan 0.000 0.493 410 L N 0.512 121.644 121.223 -0.152 0.000 2.452 410 L HA 0.221 4.561 4.340 0.000 0.000 0.267 410 L C -0.003 176.816 176.870 -0.085 0.000 1.188 410 L CA -0.605 54.137 54.840 -0.163 0.000 0.821 410 L CB 0.996 42.864 42.059 -0.317 0.000 1.102 410 L HN -0.189 nan 8.230 nan 0.000 0.470 411 V N 3.612 123.500 119.914 -0.043 0.000 2.364 411 V HA 0.194 4.314 4.120 0.000 0.000 0.272 411 V C 0.027 176.130 176.094 0.015 0.000 1.036 411 V CA -0.416 61.890 62.300 0.010 0.000 0.880 411 V CB 1.332 33.166 31.823 0.018 0.000 0.991 411 V HN 0.357 nan 8.190 nan 0.000 0.460 412 L N 7.686 128.892 121.223 -0.029 0.000 2.307 412 L HA 0.718 5.058 4.340 0.000 0.000 0.282 412 L C -0.563 176.309 176.870 0.002 0.000 1.051 412 L CA 0.086 54.849 54.840 -0.128 0.000 0.804 412 L CB 0.903 42.817 42.059 -0.241 0.000 1.197 412 L HN 0.578 nan 8.230 nan 0.000 0.431 413 F N 1.510 121.392 119.950 -0.115 0.000 2.588 413 F HA 0.731 5.258 4.527 0.000 0.000 0.314 413 F C 0.862 176.636 175.800 -0.044 0.000 1.069 413 F CA -0.637 57.328 58.000 -0.058 0.000 0.931 413 F CB 1.277 40.228 39.000 -0.081 0.000 1.260 413 F HN 0.432 nan 8.300 nan 0.000 0.465 414 G N 0.047 108.914 108.800 0.111 0.000 2.464 414 G HA2 0.437 4.397 3.960 0.000 0.000 0.217 414 G HA3 0.437 4.397 3.960 0.000 0.000 0.217 414 G C 0.333 175.283 174.900 0.083 0.000 1.138 414 G CA 0.352 45.460 45.100 0.014 0.000 0.793 414 G HN 1.318 nan 8.290 nan 0.000 0.539 415 G N -0.659 108.295 108.800 0.256 0.000 2.320 415 G HA2 0.473 4.433 3.960 0.000 0.000 0.296 415 G HA3 0.473 4.433 3.960 0.000 0.000 0.296 415 G C -1.840 173.087 174.900 0.045 0.000 1.306 415 G CA -0.136 45.110 45.100 0.244 0.000 0.836 415 G HN 0.849 nan 8.290 nan 0.000 0.517 416 N N -2.894 115.640 118.700 -0.276 0.000 3.116 416 N HA 0.259 4.999 4.740 0.000 0.000 0.244 416 N C 0.517 175.525 175.510 -0.838 0.000 1.485 416 N CA -0.149 52.460 53.050 -0.736 0.000 0.884 416 N CB 0.287 38.529 38.487 -0.408 0.000 1.415 416 N HN 0.754 nan 8.380 nan 0.000 0.524 417 H N -1.953 116.552 119.070 -0.941 0.000 2.567 417 H HA 0.204 4.760 4.556 0.000 0.000 0.276 417 H C -0.939 174.420 175.328 0.051 0.000 1.016 417 H CA 0.563 56.423 56.048 -0.314 0.000 1.186 417 H CB -0.441 29.262 29.762 -0.099 0.000 1.351 417 H HN 0.483 nan 8.280 nan 0.000 0.605 424 S N 0.900 116.672 115.700 0.121 0.000 2.406 424 S HA 0.104 4.574 4.470 0.000 0.000 0.228 424 S C 2.076 176.678 174.600 0.004 0.000 1.020 424 S CA 1.003 59.203 58.200 -0.001 0.000 0.965 424 S CB -0.413 62.853 63.200 0.110 0.000 0.798 424 S HN 0.502 nan 8.310 nan 0.000 0.488 425 A N 1.334 124.194 122.820 0.067 0.000 2.015 425 A HA 0.225 4.545 4.320 0.000 0.000 0.219 425 A C 2.124 179.725 177.584 0.027 0.000 1.163 425 A CA 1.384 53.454 52.037 0.054 0.000 0.646 425 A CB -0.639 18.405 19.000 0.073 0.000 0.806 425 A HN 0.495 nan 8.150 nan 0.000 0.448 426 A N -1.757 121.076 122.820 0.022 0.000 2.238 426 A HA 0.417 4.737 4.320 0.000 0.000 0.208 426 A C 1.671 179.208 177.584 -0.079 0.000 1.177 426 A CA 1.131 53.172 52.037 0.006 0.000 0.804 426 A CB -0.814 18.247 19.000 0.102 0.000 0.823 426 A HN 1.853 nan 8.150 nan 0.000 0.482 427 G N -0.640 108.079 108.800 -0.135 0.000 2.142 427 G HA2 -0.221 3.739 3.960 0.000 0.000 0.225 427 G HA3 -0.221 3.739 3.960 0.000 0.000 0.225 427 G C -0.018 174.710 174.900 -0.288 0.000 1.015 427 G CA 0.265 45.278 45.100 -0.145 0.000 0.716 427 G HN 0.733 nan 8.290 nan 0.000 0.508 428 E N -0.610 119.198 120.200 -0.654 0.000 2.440 428 E HA -0.215 4.135 4.350 0.000 0.000 0.246 428 E C -0.165 176.062 176.600 -0.622 0.000 1.165 428 E CA 1.127 56.755 56.400 -1.287 0.000 0.726 428 E CB -0.654 28.743 29.700 -0.505 0.000 1.271 428 E HN 0.629 nan 8.360 nan 0.000 0.397 429 D N -0.284 119.902 120.400 -0.356 0.000 2.441 429 D HA 0.108 4.748 4.640 0.000 0.000 0.231 429 D C 0.368 176.841 176.300 0.289 0.000 1.073 429 D CA -0.480 53.543 54.000 0.039 0.000 0.850 429 D CB 0.432 41.251 40.800 0.032 0.000 1.062 429 D HN 0.008 nan 8.370 nan 0.000 0.524 430 F N 3.870 124.029 119.950 0.348 0.000 2.161 430 F HA -0.210 4.317 4.527 0.000 0.000 0.300 430 F C 1.572 177.619 175.800 0.413 0.000 1.089 430 F CA 1.556 59.818 58.000 0.436 0.000 1.282 430 F CB 0.340 39.488 39.000 0.247 0.000 1.010 430 F HN 0.361 nan 8.300 nan 0.000 0.485 431 D N -0.118 120.473 120.400 0.318 0.000 2.144 431 D HA -0.134 4.506 4.640 0.000 0.000 0.200 431 D C 2.380 178.749 176.300 0.115 0.000 0.978 431 D CA 1.038 55.145 54.000 0.179 0.000 0.833 431 D CB -0.278 40.629 40.800 0.178 0.000 0.961 431 D HN 0.396 nan 8.370 nan 0.000 0.470 432 R N -0.337 120.248 120.500 0.141 0.000 2.090 432 R HA -0.096 4.245 4.340 0.000 0.000 0.228 432 R C 2.222 178.605 176.300 0.139 0.000 1.110 432 R CA 0.667 56.830 56.100 0.106 0.000 0.973 432 R CB -0.457 29.892 30.300 0.082 0.000 0.869 432 R HN 0.280 nan 8.270 nan 0.000 0.440 433 W N 2.678 123.985 121.300 0.011 0.000 2.350 433 W HA -0.115 4.546 4.660 0.000 0.000 0.289 433 W C 1.218 177.716 176.519 -0.036 0.000 1.215 433 W CA 0.857 58.230 57.345 0.047 0.000 1.236 433 W CB 0.017 29.592 29.460 0.192 0.000 1.130 433 W HN -0.108 nan 8.180 nan 0.000 0.541 437 L N 2.182 123.259 121.223 -0.245 0.000 2.017 437 L HA 0.118 4.458 4.340 0.000 0.000 0.208 437 L C 1.867 178.732 176.870 -0.008 0.000 1.073 437 L CA 1.677 56.391 54.840 -0.211 0.000 0.745 437 L CB -0.541 41.193 42.059 -0.542 0.000 0.894 437 L HN 0.153 nan 8.230 nan 0.000 0.432 438 V N -0.517 119.404 119.914 0.011 0.000 2.343 438 V HA -0.299 3.821 4.120 0.000 0.000 0.247 438 V C 2.326 178.553 176.094 0.220 0.000 1.051 438 V CA 1.986 64.344 62.300 0.096 0.000 1.036 438 V CB -0.825 31.032 31.823 0.056 0.000 0.654 438 V HN 0.566 nan 8.190 nan 0.000 0.451 439 F N 0.459 120.475 119.950 0.109 0.000 2.095 439 F HA -0.085 4.442 4.527 0.000 0.000 0.298 439 F C 1.216 177.087 175.800 0.118 0.000 1.104 439 F CA 0.865 58.974 58.000 0.181 0.000 1.232 439 F CB -0.394 38.714 39.000 0.180 0.000 0.987 439 F HN 0.120 nan 8.300 nan 0.000 0.475 445 R N 0.385 120.823 120.500 -0.105 0.000 2.733 445 R HA 0.537 4.877 4.340 0.000 0.000 0.272 445 R C -0.600 175.665 176.300 -0.059 0.000 1.029 445 R CA -0.647 55.390 56.100 -0.105 0.000 0.888 445 R CB 1.156 31.365 30.300 -0.152 0.000 1.251 445 R HN 0.245 nan 8.270 nan 0.000 0.464 446 I N 4.276 124.831 120.570 -0.026 0.000 2.312 446 I HA 0.215 4.385 4.170 0.000 0.000 0.291 446 I C -1.852 174.285 176.117 0.035 0.000 1.031 446 I CA -1.748 59.568 61.300 0.027 0.000 1.293 446 I CB 1.444 39.511 38.000 0.112 0.000 1.403 446 I HN 0.058 nan 8.210 nan 0.000 0.484 447 P HA 0.084 nan 4.420 nan 0.000 0.280 447 P C -1.261 176.158 177.300 0.199 0.000 1.244 447 P CA -0.380 62.784 63.100 0.107 0.000 0.784 447 P CB 1.489 33.260 31.700 0.118 0.000 0.913 448 Q N 3.391 123.338 119.800 0.244 0.000 2.356 448 Q HA 0.444 4.784 4.340 0.000 0.000 0.270 448 Q C -2.160 174.066 176.000 0.377 0.000 1.058 448 Q CA -0.763 55.220 55.803 0.300 0.000 0.802 448 Q CB 1.758 30.652 28.738 0.260 0.000 1.303 448 Q HN 0.405 nan 8.270 nan 0.000 0.444 449 F N 3.182 123.238 119.950 0.176 0.000 2.532 449 F HA 0.402 4.929 4.527 0.000 0.000 0.321 449 F C -1.495 174.272 175.800 -0.055 0.000 1.089 449 F CA -0.789 57.296 58.000 0.142 0.000 0.926 449 F CB 1.354 40.504 39.000 0.251 0.000 1.168 449 F HN 0.559 nan 8.300 nan 0.000 0.459 450 Y N 4.892 124.930 120.300 -0.436 0.000 2.353 450 Y HA 0.334 4.885 4.550 0.000 0.000 0.340 450 Y C 0.191 175.901 175.900 -0.318 0.000 0.972 450 Y CA -1.079 56.790 58.100 -0.384 0.000 1.157 450 Y CB 0.784 39.101 38.460 -0.240 0.000 1.157 450 Y HN 0.558 nan 8.280 nan 0.000 0.495 451 S N 4.370 119.591 115.700 -0.799 0.000 2.642 451 S HA 0.300 4.770 4.470 0.000 0.000 0.308 451 S C 1.211 175.669 174.600 -0.237 0.000 1.255 451 S CA 1.613 59.446 58.200 -0.611 0.000 1.057 451 S CB -0.552 62.210 63.200 -0.729 0.000 0.785 451 S HN 1.580 nan 8.310 nan 0.000 0.500 452 G N 4.681 113.702 108.800 0.369 0.000 2.284 452 G HA2 -0.195 3.765 3.960 0.000 0.000 0.216 452 G HA3 -0.195 3.765 3.960 0.000 0.000 0.216 452 G C 0.521 175.556 174.900 0.225 0.000 1.009 452 G CA 0.419 45.696 45.100 0.295 0.000 0.625 452 G HN 0.662 nan 8.290 nan 0.000 0.501 453 D N 1.487 122.023 120.400 0.228 0.000 2.312 453 D HA 0.022 4.662 4.640 0.000 0.000 0.211 453 D C 2.359 179.061 176.300 0.671 0.000 0.964 453 D CA 1.227 55.419 54.000 0.320 0.000 0.877 453 D CB -0.061 40.715 40.800 -0.040 0.000 0.924 453 D HN 0.762 nan 8.370 nan 0.000 0.515 454 E N 1.072 121.764 120.200 0.820 0.000 2.502 454 E HA -0.090 4.260 4.350 0.000 0.000 0.194 454 E C 1.389 178.189 176.600 0.334 0.000 1.062 454 E CA 0.309 57.139 56.400 0.717 0.000 0.867 454 E CB -0.243 29.830 29.700 0.622 0.000 0.888 454 E HN 0.451 nan 8.360 nan 0.000 0.510 455 I N -1.793 118.872 120.570 0.159 0.000 3.621 455 I HA 0.287 4.457 4.170 0.000 0.000 0.325 455 I C -0.187 175.791 176.117 -0.232 0.000 1.554 455 I CA -0.829 60.428 61.300 -0.071 0.000 1.053 455 I CB -0.161 37.765 38.000 -0.124 0.000 1.302 455 I HN -0.194 nan 8.210 nan 0.000 0.518 459 S N -0.207 115.624 115.700 0.218 0.000 2.672 459 S HA 0.796 5.267 4.470 0.000 0.000 0.271 459 S C 0.008 174.727 174.600 0.198 0.000 1.171 459 S CA -0.132 58.208 58.200 0.233 0.000 0.817 459 S CB 0.933 64.382 63.200 0.416 0.000 1.150 459 S HN 2.019 nan 8.310 nan 0.000 0.478 460 T N -1.120 113.544 114.554 0.183 0.000 2.813 460 T HA 0.538 4.888 4.350 0.000 0.000 0.297 460 T C 0.836 175.669 174.700 0.222 0.000 1.036 460 T CA 0.106 62.297 62.100 0.151 0.000 1.044 460 T CB 0.539 69.463 68.868 0.092 0.000 0.993 460 T HN 0.968 nan 8.240 nan 0.000 0.535 461 V N -0.092 119.915 119.914 0.156 0.000 3.473 461 V HA 0.349 4.469 4.120 0.000 0.000 0.253 461 V C 0.940 177.112 176.094 0.130 0.000 1.340 461 V CA 0.183 62.570 62.300 0.145 0.000 1.103 461 V CB -0.237 31.641 31.823 0.091 0.000 0.881 461 V HN 0.933 nan 8.190 nan 0.000 0.451 462 K N 1.040 121.504 120.400 0.106 0.000 2.183 462 K HA 0.541 4.861 4.320 0.000 0.000 0.274 462 K C 0.464 177.119 176.600 0.092 0.000 1.009 462 K CA 0.835 57.174 56.287 0.087 0.000 0.888 462 K CB 1.126 33.661 32.500 0.059 0.000 1.078 462 K HN 0.389 nan 8.250 nan 0.000 0.459 463 G N 3.324 112.178 108.800 0.091 0.000 2.545 463 G HA2 -0.306 3.654 3.960 0.000 0.000 0.216 463 G HA3 -0.306 3.654 3.960 0.000 0.000 0.216 463 G C 0.230 175.195 174.900 0.108 0.000 1.314 463 G CA -0.009 45.136 45.100 0.075 0.000 0.906 463 G HN 0.754 nan 8.290 nan 0.000 0.563 464 R N -0.198 120.338 120.500 0.060 0.000 1.841 464 R HA 0.437 4.777 4.340 0.000 0.000 0.157 464 R C 0.584 176.888 176.300 0.007 0.000 1.339 464 R CA 0.697 56.828 56.100 0.051 0.000 1.482 464 R CB -0.624 29.663 30.300 -0.021 0.000 0.808 464 R HN 0.871 nan 8.270 nan 0.000 0.551 465 D N 0.880 121.210 120.400 -0.117 0.000 2.990 465 D HA -0.096 4.544 4.640 0.000 0.000 0.245 465 D C -0.369 175.529 176.300 -0.670 0.000 1.120 465 D CA 0.559 54.392 54.000 -0.278 0.000 0.838 465 D CB -0.758 39.908 40.800 -0.224 0.000 1.000 465 D HN 0.402 nan 8.370 nan 0.000 0.420 466 D N 0.323 120.499 120.400 -0.372 0.000 2.104 466 D HA -0.121 4.519 4.640 0.000 0.000 0.194 466 D C 2.120 178.285 176.300 -0.225 0.000 0.994 466 D CA 1.841 55.681 54.000 -0.267 0.000 0.830 466 D CB -0.407 40.401 40.800 0.012 0.000 0.959 466 D HN 0.553 nan 8.370 nan 0.000 0.452 467 A N 0.445 123.207 122.820 -0.097 0.000 1.927 467 A HA -0.265 4.055 4.320 0.000 0.000 0.220 467 A C 2.308 179.863 177.584 -0.049 0.000 1.185 467 A CA 2.385 54.414 52.037 -0.012 0.000 0.639 467 A CB -0.941 18.049 19.000 -0.016 0.000 0.820 467 A HN 0.244 nan 8.150 nan 0.000 0.451 468 S N -1.835 113.740 115.700 -0.209 0.000 2.442 468 S HA -0.113 4.357 4.470 0.000 0.000 0.236 468 S C 1.475 176.136 174.600 0.101 0.000 1.007 468 S CA 1.257 59.394 58.200 -0.105 0.000 0.965 468 S CB -0.449 62.652 63.200 -0.166 0.000 0.773 468 S HN 0.649 nan 8.310 nan 0.000 0.504 469 Y N 0.836 121.247 120.300 0.185 0.000 2.490 469 Y HA 0.372 4.922 4.550 0.000 0.000 0.281 469 Y C 1.542 177.654 175.900 0.354 0.000 1.174 469 Y CA -0.208 58.047 58.100 0.258 0.000 1.295 469 Y CB -0.174 38.417 38.460 0.218 0.000 1.062 469 Y HN 0.205 nan 8.280 nan 0.000 0.522 470 R N -0.114 120.619 120.500 0.387 0.000 2.659 470 R HA 0.209 4.549 4.340 0.000 0.000 0.418 470 R C 0.017 176.473 176.300 0.261 0.000 1.076 470 R CA -0.480 55.850 56.100 0.383 0.000 1.093 470 R CB 0.713 31.264 30.300 0.418 0.000 1.400 470 R HN -0.114 nan 8.270 nan 0.000 0.583 471 R N 1.476 122.105 120.500 0.215 0.000 2.811 471 R HA 0.017 4.358 4.340 0.000 0.000 0.265 471 R C -0.080 176.341 176.300 0.201 0.000 1.026 471 R CA 0.169 56.368 56.100 0.166 0.000 1.142 471 R CB 0.224 30.587 30.300 0.105 0.000 1.027 471 R HN 0.056 nan 8.270 nan 0.000 0.465 472 D N 1.009 121.510 120.400 0.167 0.000 2.443 472 D HA -0.043 4.597 4.640 0.000 0.000 0.239 472 D C -0.090 176.390 176.300 0.300 0.000 1.136 472 D CA 0.134 54.276 54.000 0.237 0.000 0.879 472 D CB 0.174 40.862 40.800 -0.188 0.000 1.195 472 D HN 0.225 nan 8.370 nan 0.000 0.443 473 F N 3.649 123.798 119.950 0.332 0.000 2.504 473 F HA 0.188 4.715 4.527 0.000 0.000 0.369 473 F C -1.763 174.114 175.800 0.127 0.000 1.082 473 F CA -1.990 56.114 58.000 0.174 0.000 1.216 473 F CB 0.619 39.722 39.000 0.171 0.000 1.108 473 F HN 0.108 nan 8.300 nan 0.000 0.554 474 P HA 0.196 nan 4.420 nan 0.000 0.270 474 P C 0.345 177.523 177.300 -0.203 0.000 1.242 474 P CA 0.780 63.727 63.100 -0.254 0.000 0.768 474 P CB 0.764 32.243 31.700 -0.368 0.000 0.820 475 G N 3.132 111.996 108.800 0.105 0.000 2.255 475 G HA2 -0.186 3.774 3.960 0.000 0.000 0.196 475 G HA3 -0.186 3.774 3.960 0.000 0.000 0.196 475 G C 1.063 176.175 174.900 0.353 0.000 0.998 475 G CA 0.007 45.259 45.100 0.254 0.000 0.656 475 G HN 0.640 nan 8.290 nan 0.000 0.490 476 G N -0.952 108.086 108.800 0.396 0.000 2.650 476 G HA2 0.233 4.193 3.960 0.000 0.000 0.214 476 G HA3 0.233 4.193 3.960 0.000 0.000 0.214 476 G C 0.573 175.365 174.900 -0.179 0.000 1.136 476 G CA 0.536 45.676 45.100 0.067 0.000 0.789 476 G HN 0.381 nan 8.290 nan 0.000 0.536 477 W N -0.282 121.060 121.300 0.069 0.000 2.736 477 W HA 0.642 5.302 4.660 0.000 0.000 0.335 477 W C -0.089 176.449 176.519 0.032 0.000 1.059 477 W CA -1.819 55.554 57.345 0.047 0.000 1.226 477 W CB 1.681 31.164 29.460 0.038 0.000 1.416 477 W HN 0.067 nan 8.180 nan 0.000 0.505 478 A N 1.409 124.342 122.820 0.189 0.000 2.566 478 A HA 0.386 4.706 4.320 0.000 0.000 0.245 478 A C 1.013 178.673 177.584 0.126 0.000 1.056 478 A CA 1.439 53.546 52.037 0.116 0.000 0.757 478 A CB -0.583 18.465 19.000 0.080 0.000 0.979 478 A HN 1.492 nan 8.150 nan 0.000 0.508 479 G N 2.754 111.607 108.800 0.089 0.000 2.256 479 G HA2 -0.155 3.805 3.960 0.000 0.000 0.272 479 G HA3 -0.155 3.805 3.960 0.000 0.000 0.272 479 G C -0.356 174.582 174.900 0.064 0.000 1.076 479 G CA 0.150 45.289 45.100 0.065 0.000 0.882 479 G HN 0.868 nan 8.290 nan 0.000 0.497 480 D N -0.018 120.431 120.400 0.081 0.000 2.255 480 D HA 0.338 4.978 4.640 0.000 0.000 0.249 480 D C 1.480 177.793 176.300 0.023 0.000 1.078 480 D CA -0.537 53.499 54.000 0.060 0.000 0.896 480 D CB 1.153 42.010 40.800 0.095 0.000 1.194 480 D HN -0.022 nan 8.370 nan 0.000 0.429 481 K N 1.095 121.494 120.400 -0.003 0.000 1.963 481 K HA -0.046 4.274 4.320 0.000 0.000 0.216 481 K C 0.570 177.155 176.600 -0.024 0.000 1.045 481 K CA 0.638 56.916 56.287 -0.015 0.000 0.954 481 K CB -0.493 31.990 32.500 -0.028 0.000 0.732 481 K HN 0.501 nan 8.250 nan 0.000 0.442 482 A N 2.501 125.293 122.820 -0.047 0.000 2.409 482 A HA 0.141 4.462 4.320 0.000 0.000 0.262 482 A C -0.038 177.499 177.584 -0.079 0.000 1.113 482 A CA -0.211 51.782 52.037 -0.074 0.000 0.790 482 A CB -0.002 18.933 19.000 -0.107 0.000 1.046 482 A HN 0.349 nan 8.150 nan 0.000 0.496 483 N N 2.045 120.699 118.700 -0.076 0.000 2.617 483 N HA 0.394 5.134 4.740 0.000 0.000 0.263 483 N C 0.554 175.986 175.510 -0.129 0.000 1.074 483 N CA 0.163 53.178 53.050 -0.059 0.000 0.841 483 N CB 1.418 39.924 38.487 0.031 0.000 1.221 483 N HN 0.546 nan 8.380 nan 0.000 0.529 484 A N 2.847 125.465 122.820 -0.336 0.000 2.019 484 A HA -0.035 4.285 4.320 0.000 0.000 0.219 484 A C 1.264 178.646 177.584 -0.338 0.000 1.164 484 A CA 0.983 52.780 52.037 -0.400 0.000 0.644 484 A CB -0.618 17.948 19.000 -0.724 0.000 0.805 484 A HN 0.628 nan 8.150 nan 0.000 0.449 485 F N 0.480 120.301 119.950 -0.215 0.000 2.407 485 F HA -0.082 4.445 4.527 0.000 0.000 0.299 485 F C 2.537 178.316 175.800 -0.036 0.000 1.097 485 F CA 1.264 59.099 58.000 -0.275 0.000 1.422 485 F CB 0.136 38.937 39.000 -0.331 0.000 1.067 485 F HN 0.348 nan 8.300 nan 0.000 0.539 486 S N -1.801 113.979 115.700 0.135 0.000 2.578 486 S HA 0.480 4.950 4.470 0.000 0.000 0.228 486 S C 1.683 176.323 174.600 0.067 0.000 1.022 486 S CA 0.331 58.598 58.200 0.111 0.000 0.967 486 S CB 0.652 63.908 63.200 0.094 0.000 0.914 486 S HN 0.473 nan 8.310 nan 0.000 0.515 487 G N 1.744 110.564 108.800 0.033 0.000 2.320 487 G HA2 -0.200 3.760 3.960 0.000 0.000 0.242 487 G HA3 -0.200 3.760 3.960 0.000 0.000 0.242 487 G C 0.474 175.367 174.900 -0.012 0.000 1.033 487 G CA -0.119 44.987 45.100 0.010 0.000 0.620 487 G HN 1.581 nan 8.290 nan 0.000 0.517 488 A N 0.638 123.458 122.820 -0.001 0.000 2.563 488 A HA 0.534 4.855 4.320 0.000 0.000 0.256 488 A C 2.207 179.773 177.584 -0.029 0.000 1.056 488 A CA 2.241 54.274 52.037 -0.008 0.000 0.775 488 A CB -0.676 18.328 19.000 0.006 0.000 0.973 488 A HN 2.572 nan 8.150 nan 0.000 0.516 489 G N 1.193 109.973 108.800 -0.034 0.000 2.176 489 G HA2 -0.169 3.791 3.960 0.000 0.000 0.253 489 G HA3 -0.169 3.791 3.960 0.000 0.000 0.253 489 G C -0.043 174.818 174.900 -0.066 0.000 0.979 489 G CA 0.273 45.345 45.100 -0.046 0.000 0.641 489 G HN 0.846 nan 8.290 nan 0.000 0.530 490 L N 2.440 123.621 121.223 -0.070 0.000 2.331 490 L HA 0.530 4.871 4.340 0.000 0.000 0.278 490 L C 1.644 178.463 176.870 -0.084 0.000 1.106 490 L CA 0.487 55.273 54.840 -0.090 0.000 0.824 490 L CB 0.880 42.886 42.059 -0.088 0.000 1.142 490 L HN 0.442 nan 8.230 nan 0.000 0.443 491 T N -0.482 114.012 114.554 -0.100 0.000 2.748 491 T HA 0.054 4.404 4.350 0.000 0.000 0.304 491 T C 1.378 176.009 174.700 -0.115 0.000 1.041 491 T CA -0.098 61.943 62.100 -0.099 0.000 1.033 491 T CB 0.489 69.292 68.868 -0.108 0.000 0.995 491 T HN 0.502 nan 8.240 nan 0.000 0.536 492 S N -0.275 115.356 115.700 -0.115 0.000 2.382 492 S HA -0.131 4.339 4.470 0.000 0.000 0.228 492 S C 2.097 176.578 174.600 -0.199 0.000 1.027 492 S CA 1.352 59.474 58.200 -0.130 0.000 0.991 492 S CB -0.545 62.585 63.200 -0.117 0.000 0.823 492 S HN 0.830 nan 8.310 nan 0.000 0.469 493 Q N 0.564 120.214 119.800 -0.251 0.000 2.084 493 Q HA -0.161 4.179 4.340 0.000 0.000 0.202 493 Q C 2.219 178.003 176.000 -0.359 0.000 0.978 493 Q CA 1.389 56.948 55.803 -0.407 0.000 0.844 493 Q CB -0.083 28.436 28.738 -0.365 0.000 0.898 493 Q HN 0.592 nan 8.270 nan 0.000 0.426 494 Q N -0.253 119.388 119.800 -0.266 0.000 2.084 494 Q HA -0.185 4.155 4.340 0.000 0.000 0.202 494 Q C 2.066 177.994 176.000 -0.121 0.000 0.978 494 Q CA 1.576 57.246 55.803 -0.221 0.000 0.844 494 Q CB -0.036 28.586 28.738 -0.194 0.000 0.898 494 Q HN 0.352 nan 8.270 nan 0.000 0.426 495 R N 0.386 120.827 120.500 -0.099 0.000 2.092 495 R HA -0.054 4.287 4.340 0.000 0.000 0.231 495 R C 2.279 178.577 176.300 -0.003 0.000 1.119 495 R CA 1.126 57.205 56.100 -0.036 0.000 0.970 495 R CB -0.438 29.839 30.300 -0.038 0.000 0.864 495 R HN 0.162 nan 8.270 nan 0.000 0.440 496 A N 1.827 124.615 122.820 -0.053 0.000 1.902 496 A HA -0.066 4.254 4.320 0.000 0.000 0.217 496 A C 2.480 180.193 177.584 0.215 0.000 1.181 496 A CA 1.542 53.587 52.037 0.012 0.000 0.623 496 A CB -0.737 18.166 19.000 -0.163 0.000 0.818 496 A HN 0.378 nan 8.150 nan 0.000 0.443 497 A N -0.739 122.208 122.820 0.211 0.000 1.865 497 A HA -0.282 4.038 4.320 0.000 0.000 0.217 497 A C 2.232 180.034 177.584 0.363 0.000 1.191 497 A CA 2.007 54.231 52.037 0.312 0.000 0.623 497 A CB -0.708 18.165 19.000 -0.213 0.000 0.826 497 A HN 0.660 nan 8.150 nan 0.000 0.444 498 Q N -0.877 119.048 119.800 0.209 0.000 2.124 498 Q HA -0.225 4.115 4.340 0.000 0.000 0.202 498 Q C 1.266 177.373 176.000 0.179 0.000 0.977 498 Q CA 1.750 57.682 55.803 0.216 0.000 0.850 498 Q CB -0.147 28.693 28.738 0.170 0.000 0.901 498 Q HN 0.605 nan 8.270 nan 0.000 0.429 499 D N 0.234 120.723 120.400 0.149 0.000 2.144 499 D HA -0.139 4.501 4.640 0.000 0.000 0.200 499 D C 1.751 178.124 176.300 0.121 0.000 0.978 499 D CA 0.576 54.642 54.000 0.110 0.000 0.833 499 D CB -0.071 40.775 40.800 0.077 0.000 0.961 499 D HN 0.215 nan 8.370 nan 0.000 0.470 500 L N 0.358 121.699 121.223 0.197 0.000 2.044 500 L HA -0.091 4.249 4.340 0.000 0.000 0.205 500 L C 2.185 179.145 176.870 0.149 0.000 1.075 500 L CA 1.233 56.185 54.840 0.187 0.000 0.747 500 L CB -0.583 41.665 42.059 0.314 0.000 0.903 500 L HN -0.131 nan 8.230 nan 0.000 0.435 501 V N 0.406 120.441 119.914 0.202 0.000 2.252 501 V HA -0.355 3.765 4.120 0.000 0.000 0.249 501 V C 2.820 178.896 176.094 -0.030 0.000 1.056 501 V CA 2.336 64.675 62.300 0.065 0.000 1.022 501 V CB -0.779 31.087 31.823 0.072 0.000 0.641 501 V HN 0.564 nan 8.190 nan 0.000 0.445 502 R N 0.395 120.899 120.500 0.007 0.000 2.080 502 R HA -0.252 4.088 4.340 0.000 0.000 0.236 502 R C 2.471 178.777 176.300 0.010 0.000 1.137 502 R CA 2.390 58.472 56.100 -0.031 0.000 0.943 502 R CB -0.379 29.925 30.300 0.006 0.000 0.846 502 R HN 0.543 nan 8.270 nan 0.000 0.431 503 K N 0.002 120.438 120.400 0.059 0.000 2.057 503 K HA -0.162 4.158 4.320 0.000 0.000 0.207 503 K C 1.992 178.734 176.600 0.237 0.000 1.049 503 K CA 1.281 57.640 56.287 0.120 0.000 0.931 503 K CB -0.058 32.465 32.500 0.039 0.000 0.714 503 K HN 0.155 nan 8.250 nan 0.000 0.440 504 L N 0.800 122.127 121.223 0.174 0.000 2.131 504 L HA 0.034 4.374 4.340 0.000 0.000 0.206 504 L C 2.340 179.345 176.870 0.226 0.000 1.087 504 L CA 1.767 56.759 54.840 0.254 0.000 0.767 504 L CB -0.623 41.519 42.059 0.139 0.000 0.917 504 L HN 0.279 nan 8.230 nan 0.000 0.441 505 A N -1.019 121.799 122.820 -0.003 0.000 1.930 505 A HA -0.129 4.191 4.320 0.000 0.000 0.215 505 A C 2.093 179.620 177.584 -0.095 0.000 1.176 505 A CA 1.300 53.230 52.037 -0.178 0.000 0.632 505 A CB -0.480 18.166 19.000 -0.591 0.000 0.819 505 A HN 0.470 nan 8.150 nan 0.000 0.445 506 N N -1.449 117.238 118.700 -0.022 0.000 2.244 506 N HA -0.166 4.574 4.740 0.000 0.000 0.183 506 N C 1.522 177.086 175.510 0.090 0.000 1.016 506 N CA 1.427 54.486 53.050 0.015 0.000 0.866 506 N CB -0.304 38.205 38.487 0.036 0.000 0.980 506 N HN 0.801 nan 8.380 nan 0.000 0.430 507 W N 2.638 123.912 121.300 -0.044 0.000 2.379 507 W HA -0.013 4.647 4.660 0.000 0.000 0.307 507 W C 2.493 178.922 176.519 -0.150 0.000 1.200 507 W CA 1.091 58.360 57.345 -0.126 0.000 1.297 507 W CB -0.384 28.941 29.460 -0.225 0.000 1.140 507 W HN -0.111 nan 8.180 nan 0.000 0.507 508 R N 0.944 121.363 120.500 -0.136 0.000 2.117 508 R HA -0.203 4.137 4.340 0.000 0.000 0.243 508 R C 2.193 178.399 176.300 -0.157 0.000 1.143 508 R CA 2.041 57.957 56.100 -0.307 0.000 0.968 508 R CB -0.373 29.901 30.300 -0.044 0.000 0.863 508 R HN 0.154 nan 8.270 nan 0.000 0.444 509 K N -0.174 120.182 120.400 -0.073 0.000 2.211 509 K HA -0.099 4.221 4.320 0.000 0.000 0.204 509 K C 0.977 177.553 176.600 -0.040 0.000 1.047 509 K CA 0.949 57.241 56.287 0.008 0.000 0.935 509 K CB -0.067 32.413 32.500 -0.034 0.000 0.728 509 K HN 0.292 nan 8.250 nan 0.000 0.452 510 N N 0.928 119.497 118.700 -0.218 0.000 2.235 510 N HA -0.003 4.737 4.740 0.000 0.000 0.209 510 N C -0.390 174.842 175.510 -0.464 0.000 1.122 510 N CA 0.323 53.212 53.050 -0.269 0.000 0.845 510 N CB 0.760 39.120 38.487 -0.212 0.000 1.004 510 N HN 0.092 nan 8.380 nan 0.000 0.499 511 Q N 0.619 120.011 119.800 -0.681 0.000 2.788 511 Q HA 0.266 4.606 4.340 0.000 0.000 0.285 511 Q C -1.697 173.731 176.000 -0.952 0.000 1.063 511 Q CA -1.826 53.496 55.803 -0.801 0.000 0.958 511 Q CB 1.217 29.323 28.738 -1.053 0.000 1.211 511 Q HN 0.145 nan 8.270 nan 0.000 0.478 512 P HA -0.187 nan 4.420 nan 0.000 0.218 512 P C 1.386 178.437 177.300 -0.415 0.000 1.146 512 P CA 0.719 63.453 63.100 -0.609 0.000 0.813 512 P CB 0.452 31.993 31.700 -0.264 0.000 0.778 513 V N -0.307 119.402 119.914 -0.342 0.000 2.490 513 V HA -0.205 3.915 4.120 0.000 0.000 0.250 513 V C 2.329 178.306 176.094 -0.195 0.000 1.061 513 V CA 1.498 63.671 62.300 -0.212 0.000 1.064 513 V CB -0.893 30.844 31.823 -0.144 0.000 0.670 513 V HN -0.041 nan 8.190 nan 0.000 0.461 514 I N -0.791 119.608 120.570 -0.284 0.000 2.500 514 I HA -0.154 4.016 4.170 0.000 0.000 0.252 514 I C 2.223 178.333 176.117 -0.011 0.000 1.142 514 I CA 1.383 62.597 61.300 -0.144 0.000 1.451 514 I CB -0.341 37.552 38.000 -0.179 0.000 1.093 514 I HN 0.448 nan 8.210 nan 0.000 0.430 515 H N 0.351 119.340 119.070 -0.135 0.000 2.326 515 H HA -0.033 4.523 4.556 0.000 0.000 0.301 515 H C 1.156 176.426 175.328 -0.096 0.000 1.081 515 H CA 1.580 57.564 56.048 -0.108 0.000 1.334 515 H CB 0.014 29.712 29.762 -0.106 0.000 1.385 515 H HN 0.415 nan 8.280 nan 0.000 0.504 516 N N -0.173 118.541 118.700 0.023 0.000 2.166 516 N HA 0.103 4.843 4.740 0.000 0.000 0.213 516 N C 0.688 176.149 175.510 -0.082 0.000 1.222 516 N CA 0.006 53.038 53.050 -0.031 0.000 0.900 516 N CB 1.280 39.749 38.487 -0.029 0.000 1.055 516 N HN 0.116 nan 8.380 nan 0.000 0.515 517 G N 0.741 109.477 108.800 -0.108 0.000 2.667 517 G HA2 0.250 4.211 3.960 0.000 0.000 0.250 517 G HA3 0.250 4.211 3.960 0.000 0.000 0.250 517 G C 0.029 174.794 174.900 -0.224 0.000 1.212 517 G CA -0.403 44.598 45.100 -0.166 0.000 0.874 517 G HN 0.089 nan 8.290 nan 0.000 0.561 518 R N -1.265 118.985 120.500 -0.418 0.000 2.583 518 R HA 0.552 4.892 4.340 0.000 0.000 0.268 518 R C -0.231 175.833 176.300 -0.393 0.000 1.101 518 R CA -0.519 55.278 56.100 -0.505 0.000 1.180 518 R CB 0.896 30.650 30.300 -0.910 0.000 1.128 518 R HN 0.381 nan 8.270 nan 0.000 0.568 522 F N 0.704 120.953 119.950 0.499 0.000 2.522 522 F HA 0.496 5.023 4.527 0.000 0.000 0.324 522 F C 1.106 176.957 175.800 0.084 0.000 1.077 522 F CA -0.319 57.895 58.000 0.356 0.000 0.944 522 F CB 2.143 41.425 39.000 0.469 0.000 1.175 522 F HN 0.813 nan 8.300 nan 0.000 0.468 523 G N 3.451 112.163 108.800 -0.146 0.000 2.272 523 G HA2 0.269 4.229 3.960 0.000 0.000 0.247 523 G HA3 0.269 4.229 3.960 0.000 0.000 0.247 523 G C -2.598 172.139 174.900 -0.270 0.000 1.272 523 G CA -0.842 43.722 45.100 -0.894 0.000 0.921 523 G HN 0.271 nan 8.290 nan 0.000 0.495 524 P HA 0.143 nan 4.420 nan 0.000 0.269 524 P C -0.484 176.782 177.300 -0.056 0.000 1.209 524 P CA 0.233 63.295 63.100 -0.063 0.000 0.776 524 P CB 1.209 32.752 31.700 -0.261 0.000 0.876 525 E N 1.284 121.501 120.200 0.029 0.000 2.275 525 E HA 0.148 4.498 4.350 0.000 0.000 0.270 525 E C -0.416 176.200 176.600 0.025 0.000 0.882 525 E CA -0.684 55.727 56.400 0.018 0.000 0.758 525 E CB 1.288 31.010 29.700 0.036 0.000 1.195 525 E HN 0.379 nan 8.360 nan 0.000 0.419 526 E N 2.374 122.579 120.200 0.008 0.000 2.440 526 E HA -0.279 4.071 4.350 0.000 0.000 0.246 526 E C -0.370 176.239 176.600 0.014 0.000 1.165 526 E CA 0.336 56.743 56.400 0.011 0.000 0.726 526 E CB -1.138 28.572 29.700 0.018 0.000 1.271 526 E HN 0.722 nan 8.360 nan 0.000 0.397 527 N N -0.735 117.966 118.700 0.002 0.000 2.714 527 N HA -0.161 4.579 4.740 0.000 0.000 0.250 527 N C -0.345 175.192 175.510 0.045 0.000 1.117 527 N CA 1.884 54.935 53.050 0.002 0.000 0.719 527 N CB -1.116 37.368 38.487 -0.005 0.000 1.081 527 N HN 0.632 nan 8.380 nan 0.000 0.557 528 T N -3.490 111.111 114.554 0.078 0.000 2.888 528 T HA 0.630 4.980 4.350 0.000 0.000 0.284 528 T C -0.610 174.235 174.700 0.241 0.000 1.017 528 T CA -0.682 61.492 62.100 0.124 0.000 1.022 528 T CB 2.438 71.364 68.868 0.098 0.000 1.013 528 T HN 0.271 nan 8.240 nan 0.000 0.465 529 W N 2.280 123.575 121.300 -0.009 0.000 3.259 529 W HA 0.621 5.281 4.660 0.000 0.000 0.331 529 W C -2.277 174.217 176.519 -0.040 0.000 1.144 529 W CA -1.251 56.108 57.345 0.023 0.000 1.227 529 W CB 1.546 31.046 29.460 0.067 0.000 1.371 529 W HN 0.728 nan 8.180 nan 0.000 0.491 530 V N 7.287 127.067 119.914 -0.223 0.000 2.656 530 V HA 0.638 4.758 4.120 0.000 0.000 0.307 530 V C -1.026 174.823 176.094 -0.409 0.000 1.051 530 V CA -0.892 61.071 62.300 -0.563 0.000 0.893 530 V CB 1.374 32.658 31.823 -0.899 0.000 0.999 530 V HN 0.399 nan 8.190 nan 0.000 0.426 531 Y N 2.088 122.064 120.300 -0.541 0.000 2.638 531 Y HA 0.867 5.417 4.550 0.000 0.000 0.335 531 Y C -1.954 173.779 175.900 -0.278 0.000 1.155 531 Y CA -1.653 56.339 58.100 -0.180 0.000 1.046 531 Y CB 1.540 39.808 38.460 -0.319 0.000 1.303 531 Y HN 0.374 nan 8.280 nan 0.000 0.460 532 F N 1.406 121.540 119.950 0.308 0.000 2.551 532 F HA 0.704 5.231 4.527 0.000 0.000 0.316 532 F C -0.396 175.621 175.800 0.362 0.000 1.089 532 F CA -1.086 57.066 58.000 0.254 0.000 0.915 532 F CB 2.022 41.159 39.000 0.228 0.000 1.186 532 F HN 0.319 nan 8.300 nan 0.000 0.456 533 R N 2.618 123.379 120.500 0.435 0.000 2.338 533 R HA 0.497 4.837 4.340 0.000 0.000 0.317 533 R C -1.451 175.047 176.300 0.330 0.000 0.968 533 R CA -0.785 55.479 56.100 0.275 0.000 0.849 533 R CB 1.184 31.569 30.300 0.143 0.000 1.128 533 R HN 0.796 nan 8.270 nan 0.000 0.448 534 Y N -0.138 120.222 120.300 0.100 0.000 2.581 534 Y HA 0.643 5.193 4.550 0.000 0.000 0.337 534 Y C -0.873 175.042 175.900 0.025 0.000 1.108 534 Y CA -1.429 56.713 58.100 0.070 0.000 1.033 534 Y CB 1.561 40.071 38.460 0.084 0.000 1.318 534 Y HN 0.634 nan 8.280 nan 0.000 0.459 535 N N -0.259 118.518 118.700 0.128 0.000 3.039 535 N HA 0.207 4.947 4.740 0.000 0.000 0.257 535 N C 0.083 175.654 175.510 0.101 0.000 1.497 535 N CA -0.867 52.212 53.050 0.049 0.000 0.861 535 N CB 0.678 39.139 38.487 -0.043 0.000 1.479 535 N HN 0.683 nan 8.380 nan 0.000 0.547 536 K N -0.751 119.685 120.400 0.060 0.000 2.281 536 K HA -0.097 4.223 4.320 0.000 0.000 0.203 536 K C -0.307 176.312 176.600 0.033 0.000 1.046 536 K CA 1.641 57.957 56.287 0.049 0.000 0.938 536 K CB -0.488 32.029 32.500 0.028 0.000 0.737 536 K HN 0.551 nan 8.250 nan 0.000 0.458 537 D N 0.528 120.939 120.400 0.018 0.000 2.327 537 D HA 0.096 4.736 4.640 0.000 0.000 0.205 537 D C 0.092 176.400 176.300 0.012 0.000 0.989 537 D CA 0.666 54.668 54.000 0.003 0.000 0.873 537 D CB 0.403 41.190 40.800 -0.022 0.000 0.955 537 D HN 0.350 nan 8.370 nan 0.000 0.515 538 K N -0.704 119.716 120.400 0.034 0.000 2.660 538 K HA 0.355 4.675 4.320 0.000 0.000 0.285 538 K C -1.656 175.007 176.600 0.105 0.000 0.997 538 K CA -0.699 55.617 56.287 0.048 0.000 0.861 538 K CB 1.401 33.903 32.500 0.004 0.000 1.469 538 K HN -0.235 nan 8.250 nan 0.000 0.395 539 R N 2.437 123.015 120.500 0.130 0.000 2.740 539 R HA 0.635 4.975 4.340 0.000 0.000 0.282 539 R C -0.560 175.854 176.300 0.190 0.000 0.969 539 R CA -0.668 55.561 56.100 0.215 0.000 0.918 539 R CB 1.491 31.931 30.300 0.233 0.000 1.175 539 R HN 0.492 nan 8.270 nan 0.000 0.464 546 N N 2.777 121.503 118.700 0.043 0.000 3.052 546 N HA 0.274 5.014 4.740 0.000 0.000 0.302 546 N C -1.250 174.274 175.510 0.023 0.000 1.332 546 N CA 0.021 53.090 53.050 0.030 0.000 1.129 546 N CB -0.267 38.230 38.487 0.018 0.000 1.436 546 N HN 0.484 nan 8.380 nan 0.000 0.536 547 N N -0.313 118.403 118.700 0.027 0.000 2.284 547 N HA 0.146 4.886 4.740 0.000 0.000 0.289 547 N C -1.073 174.454 175.510 0.027 0.000 1.179 547 N CA -0.438 52.626 53.050 0.023 0.000 0.774 547 N CB 1.564 40.064 38.487 0.022 0.000 1.548 547 N HN 0.204 nan 8.380 nan 0.000 0.473 548 D N -0.368 120.047 120.400 0.025 0.000 2.434 548 D HA 0.073 4.713 4.640 0.000 0.000 0.232 548 D C -0.155 176.159 176.300 0.024 0.000 1.166 548 D CA 0.190 54.206 54.000 0.028 0.000 0.830 548 D CB -0.068 40.748 40.800 0.027 0.000 0.960 548 D HN 0.443 nan 8.370 nan 0.000 0.497 549 K N -1.162 119.252 120.400 0.022 0.000 2.426 549 K HA 0.661 4.981 4.320 0.000 0.000 0.251 549 K C -3.230 173.382 176.600 0.020 0.000 0.941 549 K CA -2.080 54.219 56.287 0.019 0.000 0.808 549 K CB 2.054 34.564 32.500 0.016 0.000 1.265 549 K HN -0.314 nan 8.250 nan 0.000 0.432 553 L N 4.867 126.128 121.223 0.064 0.000 2.276 553 L HA 0.485 4.825 4.340 0.000 0.000 0.286 553 L C -2.324 174.593 176.870 0.079 0.000 1.024 553 L CA -2.356 52.547 54.840 0.105 0.000 0.826 553 L CB 0.884 43.084 42.059 0.235 0.000 1.211 553 L HN 0.308 nan 8.230 nan 0.000 0.422 554 P HA 0.052 nan 4.420 nan 0.000 0.263 554 P C 0.789 178.030 177.300 -0.099 0.000 1.195 554 P CA 0.113 63.184 63.100 -0.049 0.000 0.762 554 P CB 0.341 31.989 31.700 -0.086 0.000 0.799 555 T N 0.101 114.648 114.554 -0.011 0.000 3.160 555 T HA 0.027 4.377 4.350 0.000 0.000 0.257 555 T C 1.611 176.265 174.700 -0.077 0.000 1.147 555 T CA 0.652 62.782 62.100 0.050 0.000 1.064 555 T CB -0.479 68.455 68.868 0.109 0.000 0.949 555 T HN 0.281 nan 8.240 nan 0.000 0.526 556 A N 2.280 125.016 122.820 -0.140 0.000 1.902 556 A HA -0.022 4.298 4.320 0.000 0.000 0.217 556 A C 2.485 179.939 177.584 -0.217 0.000 1.181 556 A CA 1.379 53.337 52.037 -0.130 0.000 0.623 556 A CB -0.762 18.175 19.000 -0.104 0.000 0.818 556 A HN 0.508 nan 8.150 nan 0.000 0.443 557 R N -1.365 118.875 120.500 -0.434 0.000 2.117 557 R HA -0.169 4.171 4.340 0.000 0.000 0.243 557 R C 0.441 176.390 176.300 -0.585 0.000 1.143 557 R CA 1.796 57.534 56.100 -0.604 0.000 0.968 557 R CB -0.278 29.407 30.300 -1.025 0.000 0.863 557 R HN 0.503 nan 8.270 nan 0.000 0.444 558 F N 0.313 120.125 119.950 -0.230 0.000 2.639 558 F HA 0.223 4.750 4.527 0.000 0.000 0.300 558 F C 1.595 177.324 175.800 -0.118 0.000 1.109 558 F CA -0.368 57.435 58.000 -0.329 0.000 1.335 558 F CB 0.248 39.020 39.000 -0.380 0.000 1.014 558 F HN -0.126 nan 8.300 nan 0.000 0.537 559 Q N 0.931 120.752 119.800 0.036 0.000 2.226 559 Q HA -0.149 4.191 4.340 0.000 0.000 0.204 559 Q C 1.195 177.187 176.000 -0.013 0.000 0.975 559 Q CA 0.652 56.460 55.803 0.008 0.000 0.866 559 Q CB -0.212 28.522 28.738 -0.008 0.000 0.915 559 Q HN 0.628 nan 8.270 nan 0.000 0.440 563 K N 1.641 122.012 120.400 -0.049 0.000 3.451 563 K HA -0.163 4.158 4.320 0.000 0.000 0.273 563 K C 1.007 177.600 176.600 -0.012 0.000 0.944 563 K CA 0.992 57.259 56.287 -0.033 0.000 0.734 563 K CB -2.254 30.218 32.500 -0.046 0.000 1.437 563 K HN 0.820 nan 8.250 nan 0.000 0.454 564 G N -0.920 107.880 108.800 -0.001 0.000 2.249 564 G HA2 -0.261 3.699 3.960 0.000 0.000 0.273 564 G HA3 -0.261 3.699 3.960 0.000 0.000 0.273 564 G C 0.319 175.226 174.900 0.013 0.000 1.036 564 G CA 0.635 45.739 45.100 0.006 0.000 0.824 564 G HN 1.040 nan 8.290 nan 0.000 0.504 565 A N 0.531 123.364 122.820 0.021 0.000 2.492 565 A HA 0.630 4.950 4.320 0.000 0.000 0.254 565 A C 0.262 177.863 177.584 0.029 0.000 1.091 565 A CA -0.308 51.747 52.037 0.029 0.000 0.768 565 A CB 0.624 19.651 19.000 0.046 0.000 1.028 565 A HN 0.236 nan 8.150 nan 0.000 0.498 566 P HA -0.068 nan 4.420 nan 0.000 0.216 566 P C 0.457 177.770 177.300 0.022 0.000 1.153 566 P CA 1.796 64.908 63.100 0.020 0.000 0.844 566 P CB 0.080 31.790 31.700 0.016 0.000 0.787 567 S N -3.082 112.633 115.700 0.025 0.000 2.669 567 S HA 0.657 5.128 4.470 0.000 0.000 0.266 567 S C -0.808 173.808 174.600 0.026 0.000 1.149 567 S CA -0.232 57.981 58.200 0.023 0.000 0.842 567 S CB 1.102 64.312 63.200 0.016 0.000 1.160 567 S HN 0.401 nan 8.310 nan 0.000 0.487 568 G N -0.730 108.082 108.800 0.021 0.000 2.601 568 G HA2 0.592 4.552 3.960 0.000 0.000 0.291 568 G HA3 0.592 4.552 3.960 0.000 0.000 0.291 568 G C -1.764 173.146 174.900 0.016 0.000 1.456 568 G CA -0.085 45.030 45.100 0.025 0.000 0.804 568 G HN 1.494 nan 8.290 nan 0.000 0.499 569 V N 0.679 120.609 119.914 0.025 0.000 2.432 569 V HA 0.502 4.622 4.120 0.000 0.000 0.275 569 V C -0.338 175.767 176.094 0.019 0.000 1.043 569 V CA -0.553 61.759 62.300 0.020 0.000 0.925 569 V CB 1.337 33.179 31.823 0.031 0.000 0.985 569 V HN 0.767 nan 8.190 nan 0.000 0.466 570 D N 5.106 125.500 120.400 -0.010 0.000 2.346 570 D HA -0.008 4.633 4.640 0.000 0.000 0.260 570 D C 0.634 176.915 176.300 -0.032 0.000 1.252 570 D CA 0.040 54.022 54.000 -0.031 0.000 0.895 570 D CB 0.589 41.354 40.800 -0.057 0.000 1.097 570 D HN 0.521 nan 8.370 nan 0.000 0.489 571 F N 4.538 124.372 119.950 -0.192 0.000 2.216 571 F HA -0.125 4.402 4.527 0.000 0.000 0.300 571 F C 1.299 176.942 175.800 -0.261 0.000 1.085 571 F CA 1.174 59.012 58.000 -0.271 0.000 1.326 571 F CB -0.044 38.645 39.000 -0.519 0.000 1.027 571 F HN 0.440 nan 8.300 nan 0.000 0.497 572 L N -0.183 120.819 121.223 -0.369 0.000 1.948 572 L HA -0.221 4.119 4.340 0.000 0.000 0.212 572 L C 2.723 179.409 176.870 -0.307 0.000 1.074 572 L CA 1.901 56.511 54.840 -0.383 0.000 0.753 572 L CB -1.301 40.648 42.059 -0.183 0.000 0.888 572 L HN 0.276 nan 8.230 nan 0.000 0.432 573 S N -1.095 114.497 115.700 -0.180 0.000 2.496 573 S HA 0.118 4.588 4.470 0.000 0.000 0.224 573 S C 1.595 176.124 174.600 -0.119 0.000 0.996 573 S CA 0.481 58.608 58.200 -0.123 0.000 0.927 573 S CB 0.535 63.693 63.200 -0.070 0.000 0.774 573 S HN 0.655 nan 8.310 nan 0.000 0.524 574 G N 1.221 109.944 108.800 -0.129 0.000 2.199 574 G HA2 -0.265 3.696 3.960 0.000 0.000 0.254 574 G HA3 -0.265 3.696 3.960 0.000 0.000 0.254 574 G C 0.018 174.891 174.900 -0.045 0.000 0.982 574 G CA 0.274 45.322 45.100 -0.087 0.000 0.632 574 G HN 0.592 nan 8.290 nan 0.000 0.529 575 K N 0.990 121.363 120.400 -0.044 0.000 2.202 575 K HA 0.457 4.777 4.320 0.000 0.000 0.264 575 K C 0.309 176.898 176.600 -0.018 0.000 1.010 575 K CA 0.033 56.303 56.287 -0.027 0.000 0.940 575 K CB 0.614 33.098 32.500 -0.027 0.000 0.983 575 K HN 0.094 nan 8.250 nan 0.000 0.475 576 T N 1.571 116.120 114.554 -0.010 0.000 2.869 576 T HA 0.203 4.553 4.350 0.000 0.000 0.295 576 T C -0.306 174.390 174.700 -0.007 0.000 0.987 576 T CA -0.488 61.610 62.100 -0.004 0.000 1.109 576 T CB 0.700 69.568 68.868 0.001 0.000 0.932 576 T HN 0.152 nan 8.240 nan 0.000 0.518 577 V N 2.694 122.605 119.914 -0.006 0.000 2.487 577 V HA 0.579 4.699 4.120 0.000 0.000 0.298 577 V C 0.817 176.911 176.094 -0.000 0.000 1.028 577 V CA -1.103 61.192 62.300 -0.009 0.000 0.860 577 V CB 1.775 33.584 31.823 -0.022 0.000 0.991 577 V HN 1.032 nan 8.190 nan 0.000 0.427 578 G N 3.785 112.587 108.800 0.003 0.000 2.361 578 G HA2 0.454 4.414 3.960 0.000 0.000 0.260 578 G HA3 0.454 4.414 3.960 0.000 0.000 0.260 578 G C 0.056 174.966 174.900 0.016 0.000 1.261 578 G CA -0.155 44.951 45.100 0.010 0.000 0.897 578 G HN 0.743 nan 8.290 nan 0.000 0.499 579 L N 3.127 124.365 121.223 0.024 0.000 3.267 579 L HA 0.238 4.578 4.340 0.000 0.000 0.289 579 L C 2.166 179.059 176.870 0.039 0.000 1.260 579 L CA -0.018 54.846 54.840 0.039 0.000 1.034 579 L CB 0.765 42.853 42.059 0.049 0.000 1.413 579 L HN 0.716 nan 8.230 nan 0.000 0.594 580 G N 1.623 110.438 108.800 0.026 0.000 2.464 580 G HA2 -0.171 3.789 3.960 0.000 0.000 0.214 580 G HA3 -0.171 3.789 3.960 0.000 0.000 0.214 580 G C 1.493 176.403 174.900 0.016 0.000 1.218 580 G CA 0.791 45.903 45.100 0.019 0.000 0.794 580 G HN 0.494 nan 8.290 nan 0.000 0.542 581 R N -0.104 120.405 120.500 0.015 0.000 2.539 581 R HA 0.284 4.625 4.340 0.000 0.000 0.342 581 R C -0.298 176.007 176.300 0.008 0.000 0.941 581 R CA 0.194 56.298 56.100 0.006 0.000 1.146 581 R CB 0.271 30.571 30.300 -0.001 0.000 1.541 581 R HN 0.537 nan 8.270 nan 0.000 0.525 582 E N 0.975 121.188 120.200 0.022 0.000 2.381 582 E HA 0.248 4.599 4.350 0.000 0.000 0.286 582 E C -1.899 174.724 176.600 0.039 0.000 0.960 582 E CA -1.003 55.414 56.400 0.028 0.000 0.793 582 E CB 1.584 31.293 29.700 0.015 0.000 1.225 582 E HN -0.013 nan 8.360 nan 0.000 0.420 583 L N 2.638 123.895 121.223 0.057 0.000 2.275 583 L HA 0.479 4.819 4.340 0.000 0.000 0.288 583 L C -0.720 176.165 176.870 0.024 0.000 1.046 583 L CA -0.261 54.602 54.840 0.038 0.000 0.805 583 L CB 0.871 42.957 42.059 0.046 0.000 1.193 583 L HN 0.563 nan 8.230 nan 0.000 0.426 584 R N 6.397 126.902 120.500 0.009 0.000 2.265 584 R HA 0.575 4.915 4.340 0.000 0.000 0.328 584 R C -1.295 175.004 176.300 -0.002 0.000 0.969 584 R CA -0.582 55.522 56.100 0.007 0.000 0.832 584 R CB 0.965 31.268 30.300 0.006 0.000 1.139 584 R HN 0.582 nan 8.270 nan 0.000 0.457 585 L N 2.553 123.778 121.223 0.002 0.000 2.313 585 L HA 0.535 4.875 4.340 0.000 0.000 0.283 585 L C 0.484 177.358 176.870 0.007 0.000 1.013 585 L CA -0.932 53.907 54.840 -0.002 0.000 0.816 585 L CB 1.845 43.901 42.059 -0.004 0.000 1.236 585 L HN 0.661 nan 8.230 nan 0.000 0.419 586 A N 4.832 127.657 122.820 0.008 0.000 2.406 586 A HA 0.484 4.804 4.320 0.000 0.000 0.243 586 A C -2.328 175.269 177.584 0.022 0.000 1.082 586 A CA -0.972 51.075 52.037 0.016 0.000 0.786 586 A CB -0.435 18.576 19.000 0.018 0.000 1.029 586 A HN 0.442 nan 8.150 nan 0.000 0.495 587 P HA 0.083 nan 4.420 nan 0.000 0.267 587 P C -0.488 176.837 177.300 0.042 0.000 1.200 587 P CA 0.240 63.359 63.100 0.032 0.000 0.772 587 P CB 0.146 31.866 31.700 0.033 0.000 0.855 588 K N -0.920 119.506 120.400 0.044 0.000 3.177 588 K HA -0.153 4.168 4.320 0.000 0.000 0.266 588 K C 0.125 176.760 176.600 0.058 0.000 0.937 588 K CA 0.641 56.961 56.287 0.055 0.000 0.702 588 K CB -1.885 30.658 32.500 0.072 0.000 1.365 588 K HN 0.674 nan 8.250 nan 0.000 0.466 589 S N -1.624 114.100 115.700 0.040 0.000 2.715 589 S HA 0.800 5.270 4.470 0.000 0.000 0.307 589 S C -0.526 174.080 174.600 0.010 0.000 1.119 589 S CA -0.715 57.503 58.200 0.031 0.000 0.937 589 S CB 2.885 66.098 63.200 0.021 0.000 1.150 589 S HN 0.208 nan 8.310 nan 0.000 0.521 590 V N 0.987 120.896 119.914 -0.008 0.000 2.777 590 V HA 0.709 4.829 4.120 0.000 0.000 0.306 590 V C -1.265 174.789 176.094 -0.065 0.000 1.112 590 V CA -0.381 61.895 62.300 -0.039 0.000 0.917 590 V CB 1.728 33.535 31.823 -0.026 0.000 1.018 590 V HN 1.312 nan 8.190 nan 0.000 0.426 591 V N 4.225 124.075 119.914 -0.107 0.000 2.769 591 V HA 0.867 4.987 4.120 0.000 0.000 0.312 591 V C -0.753 175.246 176.094 -0.159 0.000 1.061 591 V CA -0.724 61.506 62.300 -0.117 0.000 0.931 591 V CB 1.865 33.620 31.823 -0.113 0.000 1.010 591 V HN 0.647 nan 8.190 nan 0.000 0.433 592 V N 4.729 124.564 119.914 -0.132 0.000 2.340 592 V HA 0.454 4.574 4.120 0.000 0.000 0.277 592 V C -0.588 175.459 176.094 -0.078 0.000 1.017 592 V CA -0.084 62.136 62.300 -0.133 0.000 0.820 592 V CB 0.887 32.619 31.823 -0.151 0.000 1.028 592 V HN 0.772 nan 8.190 nan 0.000 0.436 593 I N 3.714 124.230 120.570 -0.090 0.000 2.315 593 I HA 0.321 4.491 4.170 0.000 0.000 0.291 593 I C 0.616 176.750 176.117 0.027 0.000 1.006 593 I CA -0.024 61.259 61.300 -0.029 0.000 1.265 593 I CB 1.223 39.196 38.000 -0.046 0.000 1.387 593 I HN 0.544 nan 8.210 nan 0.000 0.475 594 E N 7.095 127.339 120.200 0.074 0.000 2.167 594 E HA 0.544 4.895 4.350 0.000 0.000 0.284 594 E C -0.993 175.659 176.600 0.085 0.000 1.016 594 E CA -0.410 56.053 56.400 0.105 0.000 0.817 594 E CB 1.147 30.930 29.700 0.137 0.000 1.080 594 E HN 0.412 nan 8.360 nan 0.000 0.397 595 L N 4.319 125.598 121.223 0.093 0.000 2.354 595 L HA 0.508 4.848 4.340 0.000 0.000 0.264 595 L C -2.190 174.723 176.870 0.072 0.000 1.008 595 L CA -2.525 52.364 54.840 0.082 0.000 0.819 595 L CB 1.742 43.861 42.059 0.101 0.000 1.339 595 L HN 0.369 nan 8.230 nan 0.000 0.420 596 P HA 0.036 nan 4.420 nan 0.000 0.271 596 P C -0.250 177.079 177.300 0.048 0.000 1.244 596 P CA -0.228 62.898 63.100 0.042 0.000 0.793 596 P CB 0.372 32.090 31.700 0.032 0.000 0.984 597 G N 0.960 109.784 108.800 0.041 0.000 2.442 597 G HA2 0.304 4.264 3.960 0.000 0.000 0.249 597 G HA3 0.304 4.264 3.960 0.000 0.000 0.249 597 G C 0.305 175.227 174.900 0.037 0.000 1.263 597 G CA -0.638 44.493 45.100 0.051 0.000 0.846 597 G HN 0.400 nan 8.290 nan 0.000 0.555 598 L N 1.836 123.081 121.223 0.036 0.000 2.483 598 L HA 0.080 4.420 4.340 0.000 0.000 0.277 598 L C -1.519 175.360 176.870 0.016 0.000 1.248 598 L CA -1.157 53.687 54.840 0.008 0.000 0.825 598 L CB -0.039 42.009 42.059 -0.019 0.000 1.096 598 L HN 0.333 nan 8.230 nan 0.000 0.512 599 P HA 0.258 nan 4.420 nan 0.000 0.261 599 P C -0.403 176.905 177.300 0.013 0.000 1.203 599 P CA 0.697 63.802 63.100 0.008 0.000 0.767 599 P CB 0.426 32.127 31.700 0.002 0.000 0.785 600 E N 0.000 120.209 120.200 0.014 0.000 2.725 600 E HA 0.000 4.350 4.350 0.000 0.000 0.291 600 E CA 0.000 nan 56.400 nan 0.000 0.976 600 E CB 0.000 nan 29.700 nan 0.000 0.812 600 E HN 0.000 nan 8.360 nan 0.000 0.440