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 3fye_1_C DATA FIRST_RESID 20 DATA SEQUENCE WFMSTNHKDI GVLYLFTGGL VGLISVAFTV YMRMELMAPG VQFMcAEHLE DATA SEQUENCE SGLVKGFFQS LWPSAVENcT PNGHLWNVMI TGHGILMMFF VVIPALFGGF DATA SEQUENCE GNYFMPLHIG APDMAFPRMN NLSYWLYVAG TSLAVASLFA PGGNGQLGSG DATA SEQUENCE IGWVLYPPLS TSESGYSTDL AIFAVHLSGA SSILGAINMI TTFLNMRAPG DATA SEQUENCE MTMHKVPLFA WSIFVTAWLI LLALPVLAGA ITMLLTDRNF GTTFFQPSGG DATA SEQUENCE GDPVLYQHIL WFFGHPEVYI IVLPAFGIVS HVIATFAKKP IFGYLPMVYA DATA SEQUENCE MVAIGVLGFV VWAHHMYTAG LSLTQQSYFM MATMVIAVPT GIKIFSWIAT DATA SEQUENCE MWGGSIELKT PMLWALGFLF LFTVGGVTGI VLSQASVDRY YHDTYYVVAH DATA SEQUENCE FHYVMSLGAV FGIFAGIYFW IGKMSGRQYP EWAGKLHFWM MFVGANLTFF DATA SEQUENCE PQHFLGRQGM PRRYIDYPEA FATWNFVSSL GAFLSFASFL FFLGVIFYTL DATA SEQUENCE TRGARVTANN YWNEHADTLE WTLTSPPPEH T 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 20 W HA 0.000 nan 4.660 nan 0.000 0.303 20 W C 0.000 176.375 176.519 -0.240 0.000 1.175 20 W CA 0.000 57.220 57.345 -0.209 0.000 1.226 20 W CB 0.000 29.262 29.460 -0.330 0.000 1.126 21 F N 1.501 121.621 119.950 0.283 0.000 2.451 21 F HA -0.141 4.386 4.527 -0.001 0.000 0.299 21 F C 2.142 178.138 175.800 0.326 0.000 1.101 21 F CA 1.069 59.225 58.000 0.260 0.000 1.436 21 F CB -0.272 39.005 39.000 0.462 0.000 1.074 21 F HN -0.217 nan 8.300 nan 0.000 0.553 22 M N -1.285 118.530 119.600 0.358 0.000 2.435 22 M HA 0.050 4.529 4.480 -0.001 0.000 0.265 22 M C 1.157 177.535 176.300 0.132 0.000 1.104 22 M CA 0.399 55.845 55.300 0.243 0.000 1.140 22 M CB -0.860 31.836 32.600 0.159 0.000 1.372 22 M HN -0.063 nan 8.290 nan 0.000 0.456 23 S N 1.738 117.463 115.700 0.042 0.000 2.549 23 S HA 0.063 4.533 4.470 -0.001 0.000 0.286 23 S C 1.228 175.814 174.600 -0.023 0.000 1.314 23 S CA 0.268 58.434 58.200 -0.058 0.000 1.062 23 S CB 0.454 63.536 63.200 -0.197 0.000 0.865 23 S HN 0.539 nan 8.310 nan 0.000 0.498 24 T N 1.553 116.089 114.554 -0.030 0.000 3.092 24 T HA 0.206 4.556 4.350 -0.001 0.000 0.258 24 T C 0.470 175.146 174.700 -0.040 0.000 1.031 24 T CA -0.486 61.617 62.100 0.005 0.000 0.925 24 T CB -0.374 68.519 68.868 0.042 0.000 1.036 24 T HN 0.596 nan 8.240 nan 0.000 0.544 25 N N 1.905 120.527 118.700 -0.129 0.000 2.470 25 N HA -0.004 4.735 4.740 -0.001 0.000 0.268 25 N C 1.302 176.672 175.510 -0.233 0.000 1.136 25 N CA 0.062 52.986 53.050 -0.210 0.000 0.961 25 N CB 0.864 39.142 38.487 -0.349 0.000 1.067 25 N HN 0.621 nan 8.380 nan 0.000 0.468 26 H N 3.644 122.596 119.070 -0.197 0.000 2.426 26 H HA -0.121 4.435 4.556 -0.001 0.000 0.298 26 H C 1.173 176.325 175.328 -0.293 0.000 1.107 26 H CA 1.653 57.581 56.048 -0.200 0.000 1.298 26 H CB 0.175 29.813 29.762 -0.207 0.000 1.377 26 H HN 0.548 nan 8.280 nan 0.000 0.519 27 K N 0.194 119.959 120.400 -1.058 0.000 2.057 27 K HA -0.102 4.217 4.320 -0.001 0.000 0.206 27 K C 1.636 178.028 176.600 -0.347 0.000 1.050 27 K CA 1.327 57.000 56.287 -1.024 0.000 0.935 27 K CB 0.090 31.826 32.500 -1.273 0.000 0.715 27 K HN 0.454 nan 8.250 nan 0.000 0.439 28 D N 0.976 121.194 120.400 -0.303 0.000 2.149 28 D HA -0.088 4.551 4.640 -0.001 0.000 0.201 28 D C 1.996 178.310 176.300 0.023 0.000 0.972 28 D CA 0.972 54.922 54.000 -0.083 0.000 0.835 28 D CB -0.048 40.561 40.800 -0.318 0.000 0.966 28 D HN 0.171 nan 8.370 nan 0.000 0.476 29 I N 1.402 121.931 120.570 -0.070 0.000 2.202 29 I HA -0.153 4.017 4.170 -0.001 0.000 0.242 29 I C 2.684 178.863 176.117 0.103 0.000 1.091 29 I CA 1.265 62.538 61.300 -0.044 0.000 1.368 29 I CB -0.515 37.517 38.000 0.052 0.000 1.058 29 I HN -0.005 nan 8.210 nan 0.000 0.410 30 G N 0.479 109.353 108.800 0.124 0.000 2.469 30 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.219 30 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.219 30 G C 1.686 176.666 174.900 0.134 0.000 1.150 30 G CA 1.154 46.352 45.100 0.163 0.000 0.763 30 G HN 0.272 nan 8.290 nan 0.000 0.561 31 V N 0.556 120.566 119.914 0.159 0.000 2.548 31 V HA -0.020 4.099 4.120 -0.001 0.000 0.249 31 V C 2.861 178.990 176.094 0.059 0.000 1.055 31 V CA 1.069 63.448 62.300 0.132 0.000 1.065 31 V CB -0.220 31.776 31.823 0.287 0.000 0.681 31 V HN 0.339 nan 8.190 nan 0.000 0.462 32 L N -1.487 119.684 121.223 -0.087 0.000 1.994 32 L HA -0.201 4.138 4.340 -0.001 0.000 0.208 32 L C 2.482 179.339 176.870 -0.022 0.000 1.071 32 L CA 2.027 56.667 54.840 -0.333 0.000 0.745 32 L CB -0.638 40.836 42.059 -0.976 0.000 0.892 32 L HN 0.283 nan 8.230 nan 0.000 0.431 33 Y N -0.070 120.262 120.300 0.053 0.000 2.114 33 Y HA -0.334 4.215 4.550 -0.001 0.000 0.282 33 Y C 2.534 178.488 175.900 0.089 0.000 1.165 33 Y CA 1.396 59.606 58.100 0.185 0.000 1.148 33 Y CB -0.231 38.266 38.460 0.062 0.000 0.972 33 Y HN 0.098 nan 8.280 nan 0.000 0.504 34 L N -1.908 119.386 121.223 0.117 0.000 2.017 34 L HA -0.254 4.085 4.340 -0.001 0.000 0.208 34 L C 2.121 178.970 176.870 -0.036 0.000 1.073 34 L CA 1.267 56.058 54.840 -0.081 0.000 0.745 34 L CB -0.529 41.344 42.059 -0.310 0.000 0.894 34 L HN 0.179 nan 8.230 nan 0.000 0.432 35 F N -0.088 119.862 119.950 0.000 0.000 2.146 35 F HA -0.199 4.327 4.527 -0.001 0.000 0.298 35 F C 2.629 178.483 175.800 0.091 0.000 1.096 35 F CA 1.745 59.747 58.000 0.004 0.000 1.275 35 F CB -0.774 38.158 39.000 -0.113 0.000 1.008 35 F HN 0.031 nan 8.300 nan 0.000 0.480 36 T N -0.984 113.781 114.554 0.352 0.000 2.701 36 T HA -0.105 4.245 4.350 -0.001 0.000 0.263 36 T C 2.393 177.314 174.700 0.367 0.000 1.040 36 T CA 1.325 63.636 62.100 0.351 0.000 1.147 36 T CB -1.209 67.931 68.868 0.453 0.000 0.865 36 T HN 0.381 nan 8.240 nan 0.000 0.426 37 G N 1.230 110.274 108.800 0.406 0.000 2.505 37 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.220 37 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.220 37 G C 1.695 176.739 174.900 0.240 0.000 1.145 37 G CA 1.127 46.417 45.100 0.318 0.000 0.761 37 G HN 0.591 nan 8.290 nan 0.000 0.571 38 G N 0.431 109.367 108.800 0.227 0.000 2.403 38 G HA2 -0.029 3.930 3.960 -0.001 0.000 0.216 38 G HA3 -0.029 3.930 3.960 -0.001 0.000 0.216 38 G C 1.712 176.799 174.900 0.312 0.000 1.154 38 G CA 0.991 46.256 45.100 0.276 0.000 0.784 38 G HN 0.442 nan 8.290 nan 0.000 0.538 39 L N 1.023 122.404 121.223 0.264 0.000 2.005 39 L HA 0.017 4.356 4.340 -0.001 0.000 0.207 39 L C 2.880 179.865 176.870 0.192 0.000 1.072 39 L CA 1.556 56.531 54.840 0.225 0.000 0.744 39 L CB -0.665 41.505 42.059 0.185 0.000 0.895 39 L HN 0.061 nan 8.230 nan 0.000 0.433 40 V N 0.593 120.615 119.914 0.180 0.000 2.332 40 V HA -0.241 3.878 4.120 -0.001 0.000 0.248 40 V C 2.687 178.847 176.094 0.109 0.000 1.055 40 V CA 1.778 64.160 62.300 0.135 0.000 1.038 40 V CB -1.971 29.971 31.823 0.200 0.000 0.651 40 V HN 0.652 nan 8.190 nan 0.000 0.450 41 G N 0.158 109.051 108.800 0.155 0.000 2.476 41 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.218 41 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.218 41 G C 1.585 176.542 174.900 0.096 0.000 1.164 41 G CA 1.288 46.448 45.100 0.101 0.000 0.768 41 G HN 0.465 nan 8.290 nan 0.000 0.560 42 L N 0.749 122.142 121.223 0.283 0.000 2.042 42 L HA 0.002 4.341 4.340 -0.001 0.000 0.210 42 L C 2.679 179.662 176.870 0.188 0.000 1.076 42 L CA 1.417 56.491 54.840 0.391 0.000 0.749 42 L CB -0.395 41.945 42.059 0.467 0.000 0.893 42 L HN 0.310 nan 8.230 nan 0.000 0.432 43 I N -1.424 119.178 120.570 0.054 0.000 2.113 43 I HA -0.306 3.863 4.170 -0.001 0.000 0.238 43 I C 2.659 178.488 176.117 -0.480 0.000 1.070 43 I CA 1.579 62.793 61.300 -0.144 0.000 1.332 43 I CB -0.653 37.252 38.000 -0.159 0.000 1.044 43 I HN 0.297 nan 8.210 nan 0.000 0.402 44 S N 0.332 115.791 115.700 -0.402 0.000 2.387 44 S HA -0.157 4.312 4.470 -0.001 0.000 0.230 44 S C 2.045 176.586 174.600 -0.098 0.000 1.035 44 S CA 1.451 59.451 58.200 -0.334 0.000 1.014 44 S CB -0.229 62.946 63.200 -0.040 0.000 0.836 44 S HN 0.236 nan 8.310 nan 0.000 0.466 45 V N 1.762 121.645 119.914 -0.051 0.000 2.427 45 V HA -0.078 4.041 4.120 -0.001 0.000 0.248 45 V C 2.734 178.795 176.094 -0.055 0.000 1.051 45 V CA 1.520 63.807 62.300 -0.021 0.000 1.048 45 V CB -1.239 30.573 31.823 -0.019 0.000 0.666 45 V HN 0.586 nan 8.190 nan 0.000 0.456 46 A N 0.066 122.877 122.820 -0.015 0.000 1.908 46 A HA -0.198 4.121 4.320 -0.001 0.000 0.218 46 A C 2.045 179.694 177.584 0.109 0.000 1.181 46 A CA 1.788 53.796 52.037 -0.048 0.000 0.627 46 A CB -0.668 18.397 19.000 0.109 0.000 0.818 46 A HN 0.437 nan 8.150 nan 0.000 0.445 47 F N 1.169 121.089 119.950 -0.050 0.000 2.091 47 F HA -0.198 4.328 4.527 -0.001 0.000 0.299 47 F C 3.034 178.738 175.800 -0.160 0.000 1.103 47 F CA 1.610 59.573 58.000 -0.061 0.000 1.228 47 F CB -1.682 37.297 39.000 -0.034 0.000 0.984 47 F HN 0.450 nan 8.300 nan 0.000 0.477 48 T N -2.024 112.489 114.554 -0.068 0.000 2.867 48 T HA -0.095 4.254 4.350 -0.001 0.000 0.268 48 T C 2.070 176.689 174.700 -0.134 0.000 1.057 48 T CA 1.378 63.341 62.100 -0.228 0.000 1.136 48 T CB -1.009 67.656 68.868 -0.337 0.000 0.874 48 T HN 0.071 nan 8.240 nan 0.000 0.466 49 V N 0.257 120.096 119.914 -0.124 0.000 2.358 49 V HA -0.078 4.041 4.120 -0.001 0.000 0.246 49 V C 2.326 178.440 176.094 0.034 0.000 1.047 49 V CA 1.654 63.911 62.300 -0.071 0.000 1.035 49 V CB -0.964 30.641 31.823 -0.364 0.000 0.658 49 V HN 0.500 nan 8.190 nan 0.000 0.452 50 Y N 0.338 120.546 120.300 -0.153 0.000 2.181 50 Y HA -0.236 4.314 4.550 -0.001 0.000 0.288 50 Y C 2.461 178.291 175.900 -0.117 0.000 1.146 50 Y CA 1.618 59.609 58.100 -0.182 0.000 1.164 50 Y CB -0.442 37.911 38.460 -0.179 0.000 0.982 50 Y HN 0.181 nan 8.280 nan 0.000 0.515 51 M N -0.594 118.925 119.600 -0.135 0.000 2.082 51 M HA -0.279 4.200 4.480 -0.001 0.000 0.258 51 M C 2.050 178.404 176.300 0.090 0.000 1.069 51 M CA 1.776 57.015 55.300 -0.101 0.000 1.102 51 M CB -0.248 32.205 32.600 -0.246 0.000 1.336 51 M HN -0.007 nan 8.290 nan 0.000 0.404 52 R N -0.267 120.221 120.500 -0.021 0.000 2.189 52 R HA 0.058 4.398 4.340 -0.001 0.000 0.218 52 R C 1.898 178.203 176.300 0.010 0.000 1.074 52 R CA 1.058 57.110 56.100 -0.079 0.000 0.991 52 R CB -0.715 29.395 30.300 -0.317 0.000 0.883 52 R HN 0.504 nan 8.270 nan 0.000 0.457 53 M N 0.162 119.776 119.600 0.024 0.000 2.077 53 M HA -0.160 4.319 4.480 -0.001 0.000 0.261 53 M C 2.056 178.250 176.300 -0.176 0.000 1.070 53 M CA 1.643 56.855 55.300 -0.147 0.000 1.125 53 M CB -0.220 31.979 32.600 -0.668 0.000 1.339 53 M HN -0.103 nan 8.290 nan 0.000 0.409 54 E N 0.703 120.780 120.200 -0.204 0.000 2.153 54 E HA -0.120 4.230 4.350 -0.001 0.000 0.194 54 E C 1.612 178.285 176.600 0.122 0.000 0.988 54 E CA 1.271 57.717 56.400 0.076 0.000 0.811 54 E CB -0.248 29.498 29.700 0.077 0.000 0.746 54 E HN 0.479 nan 8.360 nan 0.000 0.466 55 L N -0.001 121.300 121.223 0.131 0.000 2.558 55 L HA 0.145 4.485 4.340 -0.001 0.000 0.225 55 L C 2.288 179.295 176.870 0.228 0.000 1.128 55 L CA 0.108 55.062 54.840 0.190 0.000 0.868 55 L CB -0.268 41.848 42.059 0.095 0.000 1.006 55 L HN 0.255 nan 8.230 nan 0.000 0.454 56 M N 0.395 120.099 119.600 0.174 0.000 2.202 56 M HA -0.080 4.400 4.480 -0.001 0.000 0.262 56 M C 0.693 177.200 176.300 0.345 0.000 1.063 56 M CA 1.428 56.856 55.300 0.213 0.000 1.097 56 M CB 0.186 32.927 32.600 0.236 0.000 1.382 56 M HN 0.224 nan 8.290 nan 0.000 0.413 57 A N 0.719 123.713 122.820 0.290 0.000 2.449 57 A HA 0.718 5.037 4.320 -0.001 0.000 0.302 57 A C -2.709 174.864 177.584 -0.019 0.000 1.048 57 A CA -1.539 50.618 52.037 0.201 0.000 0.708 57 A CB 0.879 19.968 19.000 0.148 0.000 1.274 57 A HN 0.176 nan 8.150 nan 0.000 0.410 58 P HA 0.433 nan 4.420 nan 0.000 0.272 58 P C 0.496 177.619 177.300 -0.294 0.000 1.223 58 P CA 1.385 64.146 63.100 -0.565 0.000 0.784 58 P CB 0.782 32.280 31.700 -0.336 0.000 0.923 59 G N 0.273 108.888 108.800 -0.309 0.000 2.721 59 G HA2 -0.075 3.884 3.960 -0.001 0.000 0.686 59 G HA3 -0.075 3.884 3.960 -0.001 0.000 0.686 59 G C -0.984 173.822 174.900 -0.155 0.000 1.236 59 G CA -0.721 44.268 45.100 -0.185 0.000 0.786 59 G HN 0.443 nan 8.290 nan 0.000 0.616 60 V N 2.110 121.953 119.914 -0.119 0.000 2.432 60 V HA 0.510 4.629 4.120 -0.001 0.000 0.275 60 V C 0.849 176.897 176.094 -0.077 0.000 1.043 60 V CA 0.397 62.653 62.300 -0.074 0.000 0.925 60 V CB 1.427 33.211 31.823 -0.065 0.000 0.985 60 V HN 0.868 nan 8.190 nan 0.000 0.466 61 Q N 2.299 122.053 119.800 -0.078 0.000 2.210 61 Q HA 0.351 4.691 4.340 -0.001 0.000 0.252 61 Q C 0.746 176.505 176.000 -0.402 0.000 0.811 61 Q CA 0.369 56.007 55.803 -0.275 0.000 0.953 61 Q CB 0.595 29.073 28.738 -0.434 0.000 1.136 61 Q HN 0.789 nan 8.270 nan 0.000 0.491 62 F N -0.687 119.300 119.950 0.061 0.000 2.532 62 F HA 0.291 4.817 4.527 -0.001 0.000 0.278 62 F C 0.877 176.818 175.800 0.235 0.000 0.975 62 F CA 0.082 58.182 58.000 0.166 0.000 1.292 62 F CB 0.348 39.389 39.000 0.068 0.000 1.112 62 F HN -0.125 nan 8.300 nan 0.000 0.703 63 M N 1.892 121.675 119.600 0.305 0.000 3.706 63 M HA 0.155 4.634 4.480 -0.001 0.000 0.204 63 M C -1.016 175.352 176.300 0.113 0.000 1.455 63 M CA -0.174 55.277 55.300 0.252 0.000 1.659 63 M CB -0.784 31.939 32.600 0.205 0.000 1.076 63 M HN 0.091 nan 8.290 nan 0.000 0.577 64 c N 0.704 119.299 118.600 -0.009 0.000 2.435 64 c HA 0.419 4.988 4.570 -0.001 0.000 0.375 64 c C 1.977 175.954 174.090 -0.188 0.000 1.281 64 c CA -0.623 55.566 56.329 -0.232 0.000 1.963 64 c CB 0.536 42.709 42.510 -0.562 0.000 2.490 64 c HN 0.875 nan 8.230 nan 0.000 0.557 65 A N 1.935 124.701 122.820 -0.090 0.000 2.024 65 A HA -0.151 4.169 4.320 -0.001 0.000 0.220 65 A C 1.891 179.452 177.584 -0.039 0.000 1.164 65 A CA 1.652 53.671 52.037 -0.030 0.000 0.643 65 A CB -0.382 18.610 19.000 -0.014 0.000 0.806 65 A HN 0.922 nan 8.150 nan 0.000 0.451 66 E N -0.221 119.911 120.200 -0.115 0.000 2.160 66 E HA -0.186 4.164 4.350 -0.001 0.000 0.195 66 E C 1.542 178.172 176.600 0.051 0.000 0.991 66 E CA 1.344 57.708 56.400 -0.060 0.000 0.810 66 E CB -0.362 29.284 29.700 -0.091 0.000 0.742 66 E HN 0.735 nan 8.360 nan 0.000 0.466 67 H N -0.595 118.524 119.070 0.082 0.000 2.559 67 H HA 0.049 4.604 4.556 -0.001 0.000 0.273 67 H C 1.657 177.043 175.328 0.096 0.000 1.000 67 H CA 0.580 56.687 56.048 0.099 0.000 1.195 67 H CB -0.100 29.735 29.762 0.120 0.000 1.368 67 H HN 0.202 nan 8.280 nan 0.000 0.592 68 L N 0.014 121.339 121.223 0.170 0.000 2.270 68 L HA -0.019 4.320 4.340 -0.001 0.000 0.210 68 L C 2.075 179.006 176.870 0.102 0.000 1.104 68 L CA 0.544 55.460 54.840 0.126 0.000 0.804 68 L CB 0.108 42.221 42.059 0.089 0.000 0.937 68 L HN 0.047 nan 8.230 nan 0.000 0.450 69 E N -0.058 120.197 120.200 0.092 0.000 2.358 69 E HA 0.029 4.378 4.350 -0.001 0.000 0.195 69 E C 1.021 177.671 176.600 0.084 0.000 1.010 69 E CA 0.151 56.596 56.400 0.074 0.000 0.856 69 E CB 0.199 29.934 29.700 0.059 0.000 0.795 69 E HN 0.333 nan 8.360 nan 0.000 0.504 70 S N -0.150 115.617 115.700 0.111 0.000 2.625 70 S HA 0.384 4.854 4.470 -0.001 0.000 0.262 70 S C 0.729 175.393 174.600 0.106 0.000 1.223 70 S CA -0.242 58.024 58.200 0.110 0.000 0.993 70 S CB 0.639 63.920 63.200 0.135 0.000 1.051 70 S HN 0.251 nan 8.310 nan 0.000 0.562 71 G N -0.496 108.366 108.800 0.104 0.000 2.616 71 G HA2 0.373 4.332 3.960 -0.001 0.000 0.268 71 G HA3 0.373 4.332 3.960 -0.001 0.000 0.268 71 G C 0.538 175.518 174.900 0.132 0.000 1.213 71 G CA -0.486 44.675 45.100 0.102 0.000 0.926 71 G HN 0.463 nan 8.290 nan 0.000 0.523 72 L N 0.340 121.640 121.223 0.127 0.000 2.109 72 L HA 0.044 4.383 4.340 -0.001 0.000 0.207 72 L C 2.718 179.700 176.870 0.186 0.000 1.086 72 L CA 1.377 56.313 54.840 0.159 0.000 0.760 72 L CB -0.149 41.991 42.059 0.135 0.000 0.910 72 L HN 0.292 nan 8.230 nan 0.000 0.437 73 V N -0.993 119.014 119.914 0.155 0.000 2.500 73 V HA -0.144 3.975 4.120 -0.001 0.000 0.243 73 V C 2.392 178.683 176.094 0.328 0.000 1.039 73 V CA 1.284 63.706 62.300 0.204 0.000 1.053 73 V CB -0.446 31.453 31.823 0.126 0.000 0.695 73 V HN 0.352 nan 8.190 nan 0.000 0.463 74 K N 0.714 121.245 120.400 0.218 0.000 2.057 74 K HA -0.101 4.219 4.320 -0.001 0.000 0.207 74 K C 2.176 178.903 176.600 0.212 0.000 1.049 74 K CA 1.543 57.950 56.287 0.199 0.000 0.931 74 K CB -0.595 31.974 32.500 0.114 0.000 0.714 74 K HN 0.531 nan 8.250 nan 0.000 0.440 75 G N 0.671 109.585 108.800 0.189 0.000 2.443 75 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.219 75 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.219 75 G C 1.287 176.243 174.900 0.093 0.000 1.131 75 G CA 0.133 45.315 45.100 0.136 0.000 0.775 75 G HN 0.242 nan 8.290 nan 0.000 0.547 76 F N 0.884 120.852 119.950 0.031 0.000 2.051 76 F HA 0.014 4.541 4.527 -0.001 0.000 0.296 76 F C 2.175 177.874 175.800 -0.169 0.000 1.122 76 F CA 1.480 59.421 58.000 -0.098 0.000 1.201 76 F CB -0.169 38.751 39.000 -0.134 0.000 0.978 76 F HN 0.117 nan 8.300 nan 0.000 0.472 77 F N 0.558 120.594 119.950 0.143 0.000 2.325 77 F HA -0.097 4.429 4.527 -0.001 0.000 0.299 77 F C 2.526 178.301 175.800 -0.042 0.000 1.090 77 F CA 1.111 59.139 58.000 0.046 0.000 1.392 77 F CB -0.784 38.312 39.000 0.159 0.000 1.053 77 F HN 0.056 nan 8.300 nan 0.000 0.521 78 Q N 0.133 119.962 119.800 0.047 0.000 2.030 78 Q HA -0.211 4.128 4.340 -0.001 0.000 0.204 78 Q C 2.401 178.240 176.000 -0.269 0.000 0.986 78 Q CA 2.216 57.930 55.803 -0.148 0.000 0.843 78 Q CB -0.297 28.226 28.738 -0.358 0.000 0.904 78 Q HN 0.449 nan 8.270 nan 0.000 0.420 79 S N -0.126 115.327 115.700 -0.411 0.000 2.507 79 S HA -0.071 4.398 4.470 -0.001 0.000 0.235 79 S C 1.569 176.329 174.600 0.267 0.000 0.988 79 S CA 0.532 58.686 58.200 -0.078 0.000 0.944 79 S CB -0.008 63.204 63.200 0.019 0.000 0.762 79 S HN 0.163 nan 8.310 nan 0.000 0.526 80 L N -0.058 121.213 121.223 0.079 0.000 2.492 80 L HA 0.364 4.703 4.340 -0.001 0.000 0.223 80 L C 0.708 177.886 176.870 0.514 0.000 1.132 80 L CA 0.217 55.168 54.840 0.186 0.000 0.850 80 L CB -0.566 41.460 42.059 -0.056 0.000 0.966 80 L HN 0.526 nan 8.230 nan 0.000 0.454 81 W N 2.299 123.757 121.300 0.263 0.000 2.478 81 W HA 0.322 4.981 4.660 -0.001 0.000 0.318 81 W C -2.144 174.383 176.519 0.012 0.000 1.062 81 W CA -1.895 55.568 57.345 0.197 0.000 1.210 81 W CB 1.916 31.436 29.460 0.100 0.000 1.325 81 W HN -0.149 nan 8.180 nan 0.000 0.496 82 P HA 0.073 nan 4.420 nan 0.000 0.271 82 P C -0.521 176.629 177.300 -0.251 0.000 1.216 82 P CA 0.245 62.882 63.100 -0.772 0.000 0.771 82 P CB 1.407 32.672 31.700 -0.726 0.000 0.864 83 S N 1.121 116.687 115.700 -0.223 0.000 2.690 83 S HA 0.629 5.098 4.470 -0.001 0.000 0.291 83 S C 0.171 174.709 174.600 -0.103 0.000 1.138 83 S CA -0.577 57.583 58.200 -0.066 0.000 1.013 83 S CB 1.226 64.417 63.200 -0.016 0.000 1.053 83 S HN 0.624 nan 8.310 nan 0.000 0.539 84 A N 1.090 123.880 122.820 -0.050 0.000 2.407 84 A HA 0.349 4.668 4.320 -0.001 0.000 0.248 84 A C 1.344 178.892 177.584 -0.061 0.000 1.082 84 A CA -0.492 51.514 52.037 -0.053 0.000 0.785 84 A CB -0.111 18.873 19.000 -0.026 0.000 1.020 84 A HN 0.673 nan 8.150 nan 0.000 0.489 85 V N 2.137 122.011 119.914 -0.066 0.000 2.324 85 V HA -0.268 3.851 4.120 -0.001 0.000 0.250 85 V C 2.598 178.660 176.094 -0.053 0.000 1.060 85 V CA 2.475 64.735 62.300 -0.066 0.000 1.042 85 V CB -0.940 30.843 31.823 -0.066 0.000 0.650 85 V HN 1.037 nan 8.190 nan 0.000 0.450 86 E N 0.234 120.409 120.200 -0.041 0.000 2.333 86 E HA -0.210 4.140 4.350 -0.001 0.000 0.198 86 E C 1.054 177.637 176.600 -0.029 0.000 1.007 86 E CA 1.211 57.592 56.400 -0.032 0.000 0.845 86 E CB -0.476 29.209 29.700 -0.024 0.000 0.766 86 E HN 0.643 nan 8.360 nan 0.000 0.507 87 N N -0.045 118.636 118.700 -0.031 0.000 2.203 87 N HA 0.062 4.801 4.740 -0.001 0.000 0.207 87 N C -0.727 174.754 175.510 -0.049 0.000 1.130 87 N CA -0.024 53.009 53.050 -0.027 0.000 0.861 87 N CB 0.702 39.185 38.487 -0.008 0.000 1.005 87 N HN 0.082 nan 8.380 nan 0.000 0.507 88 c N 1.725 120.286 118.600 -0.064 0.000 2.386 88 c HA 0.379 4.948 4.570 -0.001 0.000 0.318 88 c C 0.080 174.123 174.090 -0.078 0.000 1.128 88 c CA -0.299 55.975 56.329 -0.092 0.000 1.438 88 c CB -0.864 41.589 42.510 -0.095 0.000 1.987 88 c HN 0.148 nan 8.230 nan 0.000 0.426 89 T N 8.673 123.180 114.554 -0.078 0.000 2.727 89 T HA 0.255 4.604 4.350 -0.001 0.000 0.295 89 T C -2.466 172.205 174.700 -0.048 0.000 0.915 89 T CA -0.318 61.749 62.100 -0.055 0.000 1.066 89 T CB 0.645 69.488 68.868 -0.043 0.000 0.891 89 T HN 0.553 nan 8.240 nan 0.000 0.516 90 P HA 0.092 nan 4.420 nan 0.000 0.264 90 P C -0.188 177.111 177.300 -0.002 0.000 1.193 90 P CA -0.195 62.887 63.100 -0.029 0.000 0.763 90 P CB 0.313 31.983 31.700 -0.050 0.000 0.810 91 N N 2.454 121.174 118.700 0.033 0.000 2.816 91 N HA 0.189 4.928 4.740 -0.001 0.000 0.236 91 N C 1.460 177.039 175.510 0.116 0.000 1.076 91 N CA -0.289 52.805 53.050 0.074 0.000 0.902 91 N CB -0.149 38.395 38.487 0.094 0.000 1.149 91 N HN 0.367 nan 8.380 nan 0.000 0.506 92 G N 0.785 109.641 108.800 0.093 0.000 2.462 92 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.220 92 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.220 92 G C 1.261 176.272 174.900 0.186 0.000 1.121 92 G CA 0.942 46.112 45.100 0.118 0.000 0.758 92 G HN 0.722 nan 8.290 nan 0.000 0.559 93 H N -0.261 118.861 119.070 0.086 0.000 2.387 93 H HA 0.014 4.569 4.556 -0.001 0.000 0.299 93 H C 2.301 177.676 175.328 0.078 0.000 1.090 93 H CA 1.362 57.453 56.048 0.072 0.000 1.332 93 H CB -0.110 29.675 29.762 0.038 0.000 1.386 93 H HN 0.244 nan 8.280 nan 0.000 0.516 94 L N -0.056 121.236 121.223 0.114 0.000 2.046 94 L HA -0.149 4.190 4.340 -0.001 0.000 0.208 94 L C 2.378 179.256 176.870 0.012 0.000 1.077 94 L CA 1.823 56.694 54.840 0.052 0.000 0.747 94 L CB -1.025 41.121 42.059 0.145 0.000 0.896 94 L HN 0.538 nan 8.230 nan 0.000 0.432 95 W N 0.643 121.916 121.300 -0.045 0.000 2.333 95 W HA -0.300 4.360 4.660 -0.001 0.000 0.316 95 W C 2.131 178.619 176.519 -0.052 0.000 1.215 95 W CA 2.012 59.332 57.345 -0.041 0.000 1.278 95 W CB -0.414 29.041 29.460 -0.009 0.000 1.154 95 W HN 0.342 nan 8.180 nan 0.000 0.486 96 N N 0.531 119.265 118.700 0.058 0.000 2.166 96 N HA -0.165 4.574 4.740 -0.001 0.000 0.186 96 N C 1.718 177.109 175.510 -0.198 0.000 1.019 96 N CA 1.956 54.984 53.050 -0.035 0.000 0.856 96 N CB -0.996 37.495 38.487 0.007 0.000 0.993 96 N HN 0.086 nan 8.380 nan 0.000 0.426 97 V N 1.515 121.244 119.914 -0.308 0.000 2.307 97 V HA -0.177 3.942 4.120 -0.001 0.000 0.245 97 V C 2.385 178.314 176.094 -0.275 0.000 1.045 97 V CA 1.194 63.315 62.300 -0.298 0.000 1.024 97 V CB -0.373 31.245 31.823 -0.341 0.000 0.651 97 V HN 0.201 nan 8.190 nan 0.000 0.449 98 M N 0.368 119.751 119.600 -0.362 0.000 2.073 98 M HA -0.173 4.306 4.480 -0.001 0.000 0.258 98 M C 2.406 178.540 176.300 -0.275 0.000 1.070 98 M CA 2.168 57.194 55.300 -0.456 0.000 1.103 98 M CB -1.372 30.922 32.600 -0.509 0.000 1.321 98 M HN 0.571 nan 8.290 nan 0.000 0.405 99 I N -1.869 118.479 120.570 -0.369 0.000 2.315 99 I HA -0.115 4.055 4.170 -0.001 0.000 0.248 99 I C 2.122 178.276 176.117 0.061 0.000 1.117 99 I CA 1.539 62.749 61.300 -0.150 0.000 1.404 99 I CB -1.556 36.300 38.000 -0.241 0.000 1.071 99 I HN 0.082 nan 8.210 nan 0.000 0.419 100 T N 1.249 115.814 114.554 0.018 0.000 2.746 100 T HA -0.028 4.321 4.350 -0.001 0.000 0.267 100 T C 1.949 176.739 174.700 0.151 0.000 1.039 100 T CA 1.635 63.792 62.100 0.096 0.000 1.142 100 T CB -1.029 67.861 68.868 0.037 0.000 0.866 100 T HN 0.643 nan 8.240 nan 0.000 0.444 101 G N 0.705 109.590 108.800 0.141 0.000 2.421 101 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.216 101 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.216 101 G C 1.311 176.449 174.900 0.396 0.000 1.171 101 G CA 1.306 46.580 45.100 0.291 0.000 0.775 101 G HN 0.597 nan 8.290 nan 0.000 0.543 102 H N 0.933 120.203 119.070 0.333 0.000 2.289 102 H HA -0.041 4.514 4.556 -0.001 0.000 0.296 102 H C 2.651 178.032 175.328 0.089 0.000 1.091 102 H CA 2.351 58.536 56.048 0.229 0.000 1.274 102 H CB -0.778 29.092 29.762 0.179 0.000 1.364 102 H HN 0.208 nan 8.280 nan 0.000 0.490 103 G N 0.321 109.010 108.800 -0.185 0.000 2.404 103 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.215 103 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.215 103 G C 1.968 176.748 174.900 -0.199 0.000 1.174 103 G CA 0.912 45.783 45.100 -0.381 0.000 0.780 103 G HN 0.484 nan 8.290 nan 0.000 0.537 104 I N 0.374 121.031 120.570 0.144 0.000 2.226 104 I HA -0.136 4.033 4.170 -0.001 0.000 0.245 104 I C 2.734 179.059 176.117 0.346 0.000 1.100 104 I CA 0.671 62.186 61.300 0.357 0.000 1.374 104 I CB -0.179 38.059 38.000 0.397 0.000 1.057 104 I HN 0.130 nan 8.210 nan 0.000 0.413 105 L N -0.510 120.886 121.223 0.287 0.000 2.017 105 L HA -0.249 4.091 4.340 -0.001 0.000 0.208 105 L C 2.711 179.663 176.870 0.138 0.000 1.073 105 L CA 1.157 56.194 54.840 0.329 0.000 0.745 105 L CB -0.453 41.713 42.059 0.179 0.000 0.894 105 L HN 0.284 nan 8.230 nan 0.000 0.432 106 M N -1.134 118.413 119.600 -0.090 0.000 2.086 106 M HA -0.177 4.302 4.480 -0.001 0.000 0.261 106 M C 2.235 178.354 176.300 -0.301 0.000 1.067 106 M CA 1.779 56.950 55.300 -0.215 0.000 1.116 106 M CB -0.794 31.574 32.600 -0.387 0.000 1.348 106 M HN 0.239 nan 8.290 nan 0.000 0.407 107 M N -1.795 117.530 119.600 -0.458 0.000 2.419 107 M HA -0.004 4.475 4.480 -0.001 0.000 0.264 107 M C 1.440 177.269 176.300 -0.784 0.000 1.082 107 M CA 1.168 56.036 55.300 -0.720 0.000 1.119 107 M CB -0.817 31.106 32.600 -1.128 0.000 1.398 107 M HN 0.129 nan 8.290 nan 0.000 0.453 108 F N -2.313 117.436 119.950 -0.334 0.000 2.747 108 F HA 0.171 4.697 4.527 -0.001 0.000 0.305 108 F C 1.111 176.540 175.800 -0.620 0.000 1.065 108 F CA 0.120 57.757 58.000 -0.605 0.000 1.230 108 F CB 0.200 38.563 39.000 -1.061 0.000 1.027 108 F HN -0.116 nan 8.300 nan 0.000 0.607 109 F N -1.692 118.429 119.950 0.285 0.000 2.729 109 F HA 0.331 4.858 4.527 -0.001 0.000 0.315 109 F C 1.057 177.039 175.800 0.303 0.000 1.102 109 F CA -0.191 58.049 58.000 0.400 0.000 1.204 109 F CB -0.180 39.029 39.000 0.350 0.000 1.052 109 F HN -0.283 nan 8.300 nan 0.000 0.551 110 V N -1.010 119.034 119.914 0.217 0.000 3.444 110 V HA -0.013 4.107 4.120 -0.001 0.000 0.210 110 V C 2.053 178.165 176.094 0.030 0.000 1.217 110 V CA 0.976 63.355 62.300 0.133 0.000 1.302 110 V CB -0.121 31.741 31.823 0.065 0.000 1.341 110 V HN -0.008 nan 8.190 nan 0.000 0.522 111 V N -0.809 119.071 119.914 -0.055 0.000 2.488 111 V HA -0.053 4.066 4.120 -0.001 0.000 0.246 111 V C 2.121 178.178 176.094 -0.060 0.000 1.046 111 V CA 1.739 63.995 62.300 -0.075 0.000 1.053 111 V CB -0.700 31.047 31.823 -0.126 0.000 0.679 111 V HN 0.453 nan 8.190 nan 0.000 0.458 112 I N 0.577 121.086 120.570 -0.102 0.000 2.163 112 I HA -0.044 4.125 4.170 -0.001 0.000 0.240 112 I C 0.056 176.136 176.117 -0.061 0.000 1.081 112 I CA 1.402 62.650 61.300 -0.087 0.000 1.353 112 I CB -1.723 36.175 38.000 -0.170 0.000 1.054 112 I HN 0.308 nan 8.210 nan 0.000 0.407 113 P HA -0.221 nan 4.420 nan 0.000 0.217 113 P C 1.321 178.557 177.300 -0.107 0.000 1.148 113 P CA 1.968 64.927 63.100 -0.234 0.000 0.834 113 P CB -0.004 31.443 31.700 -0.421 0.000 0.783 114 A N -1.584 121.218 122.820 -0.029 0.000 1.903 114 A HA -0.026 4.293 4.320 -0.001 0.000 0.213 114 A C 2.150 179.739 177.584 0.008 0.000 1.185 114 A CA 1.033 53.053 52.037 -0.028 0.000 0.628 114 A CB -1.286 17.709 19.000 -0.009 0.000 0.830 114 A HN 0.105 nan 8.150 nan 0.000 0.446 115 L N -2.584 118.716 121.223 0.127 0.000 2.127 115 L HA 0.051 4.390 4.340 -0.001 0.000 0.203 115 L C 2.354 179.438 176.870 0.357 0.000 1.080 115 L CA 1.104 56.138 54.840 0.324 0.000 0.768 115 L CB -0.302 41.915 42.059 0.263 0.000 0.924 115 L HN 0.484 nan 8.230 nan 0.000 0.444 116 F N 0.122 120.086 119.950 0.023 0.000 2.164 116 F HA 0.125 4.651 4.527 -0.001 0.000 0.287 116 F C 2.223 177.927 175.800 -0.160 0.000 1.086 116 F CA 1.294 59.268 58.000 -0.042 0.000 1.249 116 F CB -0.584 38.351 39.000 -0.109 0.000 1.059 116 F HN -0.077 nan 8.300 nan 0.000 0.490 117 G N -0.591 108.017 108.800 -0.319 0.000 2.448 117 G HA2 -0.009 3.950 3.960 -0.001 0.000 0.218 117 G HA3 -0.009 3.950 3.960 -0.001 0.000 0.218 117 G C 1.637 176.232 174.900 -0.507 0.000 1.135 117 G CA 0.705 45.230 45.100 -0.958 0.000 0.784 117 G HN 0.625 nan 8.290 nan 0.000 0.543 118 G N 0.435 109.106 108.800 -0.216 0.000 2.655 118 G HA2 0.158 4.117 3.960 -0.001 0.000 0.217 118 G HA3 0.158 4.117 3.960 -0.001 0.000 0.217 118 G C 1.351 176.202 174.900 -0.081 0.000 1.279 118 G CA 0.254 45.271 45.100 -0.139 0.000 0.870 118 G HN 0.187 nan 8.290 nan 0.000 0.560 119 F N 2.013 122.074 119.950 0.185 0.000 2.259 119 F HA 0.135 4.661 4.527 -0.001 0.000 0.298 119 F C 2.847 178.887 175.800 0.400 0.000 1.088 119 F CA 0.611 58.767 58.000 0.259 0.000 1.358 119 F CB -0.751 38.400 39.000 0.252 0.000 1.040 119 F HN 0.211 nan 8.300 nan 0.000 0.505 120 G N 0.177 109.280 108.800 0.506 0.000 2.459 120 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.217 120 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.217 120 G C 1.776 176.704 174.900 0.047 0.000 1.183 120 G CA 0.998 46.223 45.100 0.208 0.000 0.776 120 G HN 0.229 nan 8.290 nan 0.000 0.552 121 N N -0.375 118.295 118.700 -0.049 0.000 2.084 121 N HA -0.125 4.614 4.740 -0.001 0.000 0.190 121 N C 1.913 177.478 175.510 0.092 0.000 1.030 121 N CA 1.168 54.207 53.050 -0.017 0.000 0.849 121 N CB -0.506 37.985 38.487 0.007 0.000 1.012 121 N HN 0.392 nan 8.380 nan 0.000 0.423 122 Y N -0.040 120.229 120.300 -0.053 0.000 2.145 122 Y HA -0.148 4.402 4.550 -0.001 0.000 0.286 122 Y C 1.670 177.310 175.900 -0.434 0.000 1.145 122 Y CA 1.672 59.609 58.100 -0.272 0.000 1.148 122 Y CB -0.301 37.823 38.460 -0.561 0.000 0.981 122 Y HN -0.037 nan 8.280 nan 0.000 0.507 123 F N -2.380 117.606 119.950 0.060 0.000 2.717 123 F HA 0.026 4.552 4.527 -0.001 0.000 0.295 123 F C 2.174 177.799 175.800 -0.292 0.000 1.117 123 F CA 0.180 58.007 58.000 -0.289 0.000 1.361 123 F CB -0.267 38.238 39.000 -0.824 0.000 1.112 123 F HN 0.014 nan 8.300 nan 0.000 0.594 124 M N 1.316 121.000 119.600 0.141 0.000 2.132 124 M HA -0.042 4.437 4.480 -0.001 0.000 0.263 124 M C -1.059 175.241 176.300 -0.001 0.000 1.065 124 M CA 1.964 57.352 55.300 0.146 0.000 1.122 124 M CB -1.514 31.148 32.600 0.104 0.000 1.365 124 M HN -0.082 nan 8.290 nan 0.000 0.411 125 P HA -0.091 nan 4.420 nan 0.000 0.215 125 P C 1.849 179.043 177.300 -0.177 0.000 1.157 125 P CA 1.173 64.089 63.100 -0.306 0.000 0.863 125 P CB -0.263 30.973 31.700 -0.773 0.000 0.787 126 L N -1.220 119.907 121.223 -0.160 0.000 2.021 126 L HA -0.262 4.077 4.340 -0.001 0.000 0.215 126 L C 2.504 179.451 176.870 0.128 0.000 1.074 126 L CA 1.957 56.780 54.840 -0.027 0.000 0.760 126 L CB -1.360 40.681 42.059 -0.030 0.000 0.889 126 L HN 0.192 nan 8.230 nan 0.000 0.433 127 H N -0.308 118.868 119.070 0.177 0.000 2.457 127 H HA -0.062 4.493 4.556 -0.001 0.000 0.294 127 H C 2.099 177.498 175.328 0.117 0.000 1.064 127 H CA 1.166 57.353 56.048 0.231 0.000 1.330 127 H CB 0.130 30.126 29.762 0.389 0.000 1.395 127 H HN 0.495 nan 8.280 nan 0.000 0.541 128 I N -3.530 117.118 120.570 0.131 0.000 3.956 128 I HA 0.385 4.554 4.170 -0.001 0.000 0.333 128 I C 1.165 177.250 176.117 -0.054 0.000 1.302 128 I CA 0.364 61.643 61.300 -0.035 0.000 1.122 128 I CB 0.670 38.548 38.000 -0.204 0.000 1.013 128 I HN 0.124 nan 8.210 nan 0.000 0.405 129 G N 2.002 110.795 108.800 -0.012 0.000 2.246 129 G HA2 -0.147 3.812 3.960 -0.001 0.000 0.273 129 G HA3 -0.147 3.812 3.960 -0.001 0.000 0.273 129 G C 0.166 175.026 174.900 -0.067 0.000 1.055 129 G CA 0.124 45.209 45.100 -0.026 0.000 0.851 129 G HN 0.950 nan 8.290 nan 0.000 0.500 130 A N -0.221 122.537 122.820 -0.103 0.000 2.305 130 A HA 0.873 5.192 4.320 -0.001 0.000 0.322 130 A C -0.407 177.099 177.584 -0.131 0.000 1.187 130 A CA -1.045 50.914 52.037 -0.130 0.000 0.825 130 A CB 1.286 20.184 19.000 -0.170 0.000 1.164 130 A HN 0.075 nan 8.150 nan 0.000 0.498 131 P HA -0.019 nan 4.420 nan 0.000 0.215 131 P C 0.124 177.405 177.300 -0.032 0.000 1.157 131 P CA 1.283 64.357 63.100 -0.043 0.000 0.863 131 P CB 0.353 32.038 31.700 -0.024 0.000 0.787 132 D N -3.656 116.693 120.400 -0.086 0.000 2.759 132 D HA 0.228 4.868 4.640 -0.001 0.000 0.321 132 D C -0.582 175.623 176.300 -0.158 0.000 1.267 132 D CA -0.540 53.422 54.000 -0.062 0.000 0.933 132 D CB 0.833 41.649 40.800 0.025 0.000 1.431 132 D HN -0.333 nan 8.370 nan 0.000 0.504 133 M N 1.131 120.662 119.600 -0.116 0.000 2.240 133 M HA 0.267 4.746 4.480 -0.001 0.000 0.333 133 M C 1.380 177.587 176.300 -0.155 0.000 1.110 133 M CA -0.056 55.176 55.300 -0.112 0.000 1.173 133 M CB 0.457 33.040 32.600 -0.029 0.000 1.458 133 M HN 0.607 nan 8.290 nan 0.000 0.458 134 A N 2.584 125.244 122.820 -0.267 0.000 1.927 134 A HA -0.139 4.181 4.320 -0.001 0.000 0.220 134 A C 0.605 177.751 177.584 -0.731 0.000 1.185 134 A CA 1.777 53.449 52.037 -0.608 0.000 0.639 134 A CB -0.475 17.960 19.000 -0.941 0.000 0.820 134 A HN 0.649 nan 8.150 nan 0.000 0.451 135 F N -1.646 118.317 119.950 0.022 0.000 2.550 135 F HA 0.378 4.905 4.527 -0.001 0.000 0.348 135 F C -2.098 173.728 175.800 0.043 0.000 1.219 135 F CA -2.229 55.792 58.000 0.034 0.000 1.203 135 F CB 1.083 40.108 39.000 0.041 0.000 1.436 135 F HN -0.002 nan 8.300 nan 0.000 0.541 136 P HA -0.143 nan 4.420 nan 0.000 0.219 136 P C 1.446 178.828 177.300 0.136 0.000 1.146 136 P CA 1.536 64.700 63.100 0.108 0.000 0.808 136 P CB 0.205 31.938 31.700 0.056 0.000 0.779 137 R N -1.401 119.193 120.500 0.156 0.000 2.075 137 R HA 0.063 4.402 4.340 -0.001 0.000 0.226 137 R C 2.419 178.820 176.300 0.169 0.000 1.114 137 R CA 1.061 57.251 56.100 0.150 0.000 0.972 137 R CB -0.820 29.557 30.300 0.128 0.000 0.869 137 R HN 0.196 nan 8.270 nan 0.000 0.437 138 M N 1.218 120.927 119.600 0.182 0.000 2.149 138 M HA -0.219 4.260 4.480 -0.001 0.000 0.261 138 M C 1.820 178.238 176.300 0.196 0.000 1.064 138 M CA 1.632 57.029 55.300 0.162 0.000 1.102 138 M CB -0.171 32.507 32.600 0.129 0.000 1.369 138 M HN 0.059 nan 8.290 nan 0.000 0.408 139 N N 0.752 119.577 118.700 0.208 0.000 2.188 139 N HA -0.194 4.545 4.740 -0.001 0.000 0.184 139 N C 1.287 176.941 175.510 0.241 0.000 1.018 139 N CA 1.889 55.068 53.050 0.215 0.000 0.858 139 N CB -0.486 38.104 38.487 0.172 0.000 0.989 139 N HN 0.515 nan 8.380 nan 0.000 0.426 140 N N -0.443 118.386 118.700 0.216 0.000 2.142 140 N HA -0.120 4.619 4.740 -0.001 0.000 0.186 140 N C 1.689 177.406 175.510 0.345 0.000 1.023 140 N CA 0.799 53.999 53.050 0.249 0.000 0.852 140 N CB -0.297 38.334 38.487 0.240 0.000 0.998 140 N HN 0.173 nan 8.380 nan 0.000 0.424 141 L N 0.842 122.249 121.223 0.307 0.000 2.012 141 L HA -0.142 4.197 4.340 -0.001 0.000 0.210 141 L C 2.409 179.470 176.870 0.319 0.000 1.073 141 L CA 2.292 57.320 54.840 0.314 0.000 0.748 141 L CB -1.439 40.748 42.059 0.213 0.000 0.891 141 L HN 0.433 nan 8.230 nan 0.000 0.431 142 S N -1.319 114.561 115.700 0.300 0.000 2.374 142 S HA -0.365 4.104 4.470 -0.001 0.000 0.227 142 S C 2.184 177.011 174.600 0.379 0.000 1.037 142 S CA 1.698 60.103 58.200 0.342 0.000 1.024 142 S CB -1.432 61.987 63.200 0.366 0.000 0.861 142 S HN 0.630 nan 8.310 nan 0.000 0.456 143 Y N 0.517 120.910 120.300 0.156 0.000 2.224 143 Y HA -0.016 4.533 4.550 -0.001 0.000 0.289 143 Y C 1.880 177.709 175.900 -0.119 0.000 1.146 143 Y CA 1.276 59.261 58.100 -0.192 0.000 1.182 143 Y CB -0.558 37.587 38.460 -0.525 0.000 0.983 143 Y HN 0.343 nan 8.280 nan 0.000 0.524 144 W N -0.079 121.255 121.300 0.056 0.000 2.476 144 W HA -0.064 4.596 4.660 -0.001 0.000 0.281 144 W C 2.111 178.604 176.519 -0.042 0.000 1.230 144 W CA 0.721 58.042 57.345 -0.041 0.000 1.287 144 W CB -0.190 29.318 29.460 0.080 0.000 1.108 144 W HN 0.007 nan 8.180 nan 0.000 0.567 145 L N -0.689 120.696 121.223 0.270 0.000 2.083 145 L HA -0.272 4.067 4.340 -0.001 0.000 0.209 145 L C 2.396 179.407 176.870 0.235 0.000 1.083 145 L CA 1.348 56.325 54.840 0.228 0.000 0.752 145 L CB -1.053 41.148 42.059 0.237 0.000 0.899 145 L HN 0.108 nan 8.230 nan 0.000 0.433 146 Y N 0.339 120.696 120.300 0.095 0.000 2.181 146 Y HA -0.186 4.363 4.550 -0.001 0.000 0.288 146 Y C 2.289 178.187 175.900 -0.005 0.000 1.146 146 Y CA 1.400 59.577 58.100 0.128 0.000 1.164 146 Y CB -0.553 37.994 38.460 0.145 0.000 0.982 146 Y HN -0.148 nan 8.280 nan 0.000 0.515 147 V N 0.850 120.453 119.914 -0.519 0.000 2.427 147 V HA -0.271 3.848 4.120 -0.001 0.000 0.248 147 V C 2.743 178.703 176.094 -0.224 0.000 1.051 147 V CA 1.719 63.698 62.300 -0.535 0.000 1.048 147 V CB -1.597 29.972 31.823 -0.424 0.000 0.666 147 V HN 0.575 nan 8.190 nan 0.000 0.456 148 A N 0.597 123.390 122.820 -0.045 0.000 1.855 148 A HA -0.062 4.258 4.320 -0.001 0.000 0.215 148 A C 2.461 180.025 177.584 -0.032 0.000 1.191 148 A CA 1.894 53.932 52.037 0.002 0.000 0.613 148 A CB -1.385 17.655 19.000 0.067 0.000 0.829 148 A HN 0.499 nan 8.150 nan 0.000 0.442 149 G N -0.727 108.092 108.800 0.031 0.000 2.529 149 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.219 149 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.219 149 G C 1.604 176.226 174.900 -0.464 0.000 1.177 149 G CA 1.886 47.025 45.100 0.065 0.000 0.773 149 G HN 0.436 nan 8.290 nan 0.000 0.573 150 T N 1.183 115.294 114.554 -0.739 0.000 2.720 150 T HA -0.130 4.220 4.350 -0.001 0.000 0.268 150 T C 2.834 177.242 174.700 -0.486 0.000 1.037 150 T CA 1.650 63.163 62.100 -0.980 0.000 1.144 150 T CB -0.333 68.117 68.868 -0.697 0.000 0.864 150 T HN 0.280 nan 8.240 nan 0.000 0.444 151 S N 1.222 116.753 115.700 -0.281 0.000 2.368 151 S HA 0.053 4.522 4.470 -0.001 0.000 0.225 151 S C 2.041 176.603 174.600 -0.064 0.000 1.030 151 S CA 0.807 58.930 58.200 -0.127 0.000 0.999 151 S CB -0.442 62.712 63.200 -0.076 0.000 0.844 151 S HN 0.355 nan 8.310 nan 0.000 0.459 152 L N 0.994 122.182 121.223 -0.059 0.000 2.093 152 L HA -0.122 4.218 4.340 -0.001 0.000 0.208 152 L C 2.804 179.691 176.870 0.028 0.000 1.085 152 L CA 1.144 56.003 54.840 0.031 0.000 0.755 152 L CB -0.726 41.390 42.059 0.095 0.000 0.904 152 L HN 0.334 nan 8.230 nan 0.000 0.435 153 A N -0.261 122.513 122.820 -0.077 0.000 1.877 153 A HA -0.157 4.162 4.320 -0.001 0.000 0.216 153 A C 2.308 179.909 177.584 0.029 0.000 1.186 153 A CA 1.802 53.822 52.037 -0.029 0.000 0.620 153 A CB -0.817 18.089 19.000 -0.157 0.000 0.822 153 A HN 0.194 nan 8.150 nan 0.000 0.443 154 V N -0.094 119.826 119.914 0.010 0.000 2.343 154 V HA -0.246 3.874 4.120 -0.001 0.000 0.247 154 V C 3.059 179.288 176.094 0.226 0.000 1.051 154 V CA 1.886 64.264 62.300 0.130 0.000 1.036 154 V CB -1.286 30.612 31.823 0.125 0.000 0.654 154 V HN 0.625 nan 8.190 nan 0.000 0.451 155 A N 0.874 123.800 122.820 0.177 0.000 1.908 155 A HA -0.263 4.057 4.320 -0.001 0.000 0.218 155 A C 2.585 180.282 177.584 0.189 0.000 1.181 155 A CA 2.492 54.661 52.037 0.221 0.000 0.627 155 A CB -0.966 18.126 19.000 0.154 0.000 0.818 155 A HN 0.713 nan 8.150 nan 0.000 0.445 156 S N 0.256 116.026 115.700 0.116 0.000 2.402 156 S HA -0.175 4.294 4.470 -0.001 0.000 0.233 156 S C 1.775 176.369 174.600 -0.011 0.000 1.030 156 S CA 1.682 59.918 58.200 0.060 0.000 1.003 156 S CB -0.866 62.367 63.200 0.055 0.000 0.813 156 S HN 0.487 nan 8.310 nan 0.000 0.477 157 L N -1.231 119.952 121.223 -0.066 0.000 2.275 157 L HA 0.120 4.460 4.340 -0.001 0.000 0.215 157 L C 1.528 178.094 176.870 -0.508 0.000 1.119 157 L CA 0.987 55.637 54.840 -0.317 0.000 0.790 157 L CB -0.447 41.327 42.059 -0.475 0.000 0.919 157 L HN 0.302 nan 8.230 nan 0.000 0.443 158 F N -0.441 119.526 119.950 0.028 0.000 2.682 158 F HA 0.375 4.902 4.527 -0.001 0.000 0.308 158 F C 1.213 177.010 175.800 -0.006 0.000 1.093 158 F CA -0.567 57.447 58.000 0.022 0.000 1.244 158 F CB -0.033 38.986 39.000 0.032 0.000 1.052 158 F HN -0.155 nan 8.300 nan 0.000 0.573 159 A N 0.741 123.601 122.820 0.067 0.000 2.302 159 A HA 0.577 4.897 4.320 -0.001 0.000 0.285 159 A C -2.406 175.038 177.584 -0.233 0.000 1.105 159 A CA -1.658 50.315 52.037 -0.107 0.000 0.816 159 A CB -0.141 18.754 19.000 -0.174 0.000 1.067 159 A HN -0.119 nan 8.150 nan 0.000 0.489 160 P HA 0.183 nan 4.420 nan 0.000 0.258 160 P C 0.507 177.632 177.300 -0.292 0.000 1.172 160 P CA 1.147 64.068 63.100 -0.298 0.000 0.762 160 P CB 0.685 32.203 31.700 -0.303 0.000 0.764 161 G N 2.300 111.015 108.800 -0.142 0.000 3.137 161 G HA2 0.575 4.534 3.960 -0.001 0.000 0.196 161 G HA3 0.575 4.534 3.960 -0.001 0.000 0.196 161 G C -0.190 174.663 174.900 -0.078 0.000 1.135 161 G CA -0.322 44.735 45.100 -0.072 0.000 0.803 161 G HN 0.555 nan 8.290 nan 0.000 0.619 162 G N -0.376 108.409 108.800 -0.025 0.000 2.491 162 G HA2 0.353 4.312 3.960 -0.001 0.000 0.238 162 G HA3 0.353 4.312 3.960 -0.001 0.000 0.238 162 G C 0.371 175.008 174.900 -0.438 0.000 1.277 162 G CA 0.605 45.630 45.100 -0.124 0.000 0.851 162 G HN 0.879 nan 8.290 nan 0.000 0.573 163 N N -0.078 118.481 118.700 -0.235 0.000 2.725 163 N HA -0.229 4.511 4.740 -0.001 0.000 0.249 163 N C 1.389 176.786 175.510 -0.187 0.000 1.103 163 N CA 1.677 54.604 53.050 -0.205 0.000 0.707 163 N CB -1.287 37.065 38.487 -0.226 0.000 1.043 163 N HN 1.936 nan 8.380 nan 0.000 0.553 164 G N -0.665 108.046 108.800 -0.147 0.000 2.203 164 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.263 164 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.263 164 G C 0.102 174.934 174.900 -0.114 0.000 1.012 164 G CA 1.256 46.295 45.100 -0.101 0.000 0.749 164 G HN 0.620 nan 8.290 nan 0.000 0.512 165 Q N -1.590 118.090 119.800 -0.199 0.000 2.852 165 Q HA 0.780 5.119 4.340 -0.001 0.000 0.262 165 Q C 0.440 176.396 176.000 -0.072 0.000 1.051 165 Q CA -1.087 54.633 55.803 -0.140 0.000 0.894 165 Q CB 1.122 29.742 28.738 -0.197 0.000 1.381 165 Q HN 0.299 nan 8.270 nan 0.000 0.501 166 L N 0.254 121.489 121.223 0.020 0.000 2.357 166 L HA 0.696 5.036 4.340 -0.001 0.000 0.273 166 L C 0.436 177.367 176.870 0.101 0.000 1.080 166 L CA -0.375 54.481 54.840 0.027 0.000 0.803 166 L CB 1.027 43.103 42.059 0.028 0.000 1.174 166 L HN 0.849 nan 8.230 nan 0.000 0.443 167 G N 1.477 110.297 108.800 0.033 0.000 2.712 167 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.686 167 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.686 167 G C -0.716 174.234 174.900 0.084 0.000 1.321 167 G CA -0.857 44.246 45.100 0.005 0.000 0.813 167 G HN 0.542 nan 8.290 nan 0.000 0.599 168 S N 0.199 115.895 115.700 -0.007 0.000 2.422 168 S HA 0.609 5.078 4.470 -0.001 0.000 0.308 168 S C 0.819 175.373 174.600 -0.075 0.000 1.097 168 S CA 0.224 58.429 58.200 0.009 0.000 1.099 168 S CB 1.726 64.929 63.200 0.004 0.000 0.976 168 S HN 1.748 nan 8.310 nan 0.000 0.471 169 G N 2.283 111.037 108.800 -0.078 0.000 3.964 169 G HA2 0.443 4.402 3.960 -0.001 0.000 0.289 169 G HA3 0.443 4.402 3.960 -0.001 0.000 0.289 169 G C 0.493 175.386 174.900 -0.011 0.000 1.176 169 G CA -0.544 44.470 45.100 -0.144 0.000 1.553 169 G HN 0.846 nan 8.290 nan 0.000 0.588 170 I N -1.904 118.662 120.570 -0.006 0.000 4.338 170 I HA 0.518 4.687 4.170 -0.001 0.000 0.329 170 I C 0.793 176.903 176.117 -0.012 0.000 1.378 170 I CA -0.193 61.108 61.300 0.002 0.000 1.170 170 I CB 0.330 38.325 38.000 -0.007 0.000 1.206 170 I HN 0.373 nan 8.210 nan 0.000 0.432 171 G N 2.299 111.109 108.800 0.016 0.000 2.731 171 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.686 171 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.686 171 G C 0.091 175.020 174.900 0.047 0.000 1.395 171 G CA 0.009 45.129 45.100 0.033 0.000 0.870 171 G HN 0.669 nan 8.290 nan 0.000 0.591 172 W N 1.158 122.438 121.300 -0.032 0.000 2.468 172 W HA 0.003 4.662 4.660 -0.001 0.000 0.262 172 W C 1.474 177.990 176.519 -0.006 0.000 1.241 172 W CA 1.987 59.329 57.345 -0.005 0.000 1.232 172 W CB -1.142 28.304 29.460 -0.024 0.000 1.124 172 W HN 1.103 nan 8.180 nan 0.000 0.597 173 V N -0.445 119.059 119.914 -0.684 0.000 3.647 173 V HA 0.166 4.285 4.120 -0.001 0.000 0.279 173 V C 1.426 177.418 176.094 -0.170 0.000 1.314 173 V CA 0.248 62.110 62.300 -0.731 0.000 1.125 173 V CB -1.139 30.102 31.823 -0.970 0.000 0.907 173 V HN 0.186 nan 8.190 nan 0.000 0.434 174 L N -1.388 119.759 121.223 -0.127 0.000 3.678 174 L HA -0.216 4.123 4.340 -0.001 0.000 0.425 174 L C -0.165 176.628 176.870 -0.129 0.000 1.240 174 L CA 0.065 54.854 54.840 -0.086 0.000 0.876 174 L CB -2.744 39.260 42.059 -0.092 0.000 1.766 174 L HN 0.318 nan 8.230 nan 0.000 0.917 175 Y N 1.319 121.485 120.300 -0.223 0.000 2.717 175 Y HA 0.213 4.763 4.550 -0.001 0.000 0.330 175 Y C -1.153 174.544 175.900 -0.338 0.000 1.217 175 Y CA -2.234 55.701 58.100 -0.276 0.000 1.506 175 Y CB -0.055 38.367 38.460 -0.063 0.000 1.268 175 Y HN 0.108 nan 8.280 nan 0.000 0.561 176 P HA 0.238 nan 4.420 nan 0.000 0.280 176 P C -2.327 174.941 177.300 -0.055 0.000 1.272 176 P CA -2.042 60.939 63.100 -0.198 0.000 0.819 176 P CB 1.192 32.736 31.700 -0.260 0.000 1.122 177 P HA 0.012 nan 4.420 nan 0.000 0.242 177 P C 1.499 178.812 177.300 0.020 0.000 1.197 177 P CA 0.138 63.257 63.100 0.032 0.000 0.765 177 P CB -0.153 31.580 31.700 0.055 0.000 0.936 178 L N 0.896 122.134 121.223 0.024 0.000 1.989 178 L HA -0.223 4.117 4.340 -0.001 0.000 0.211 178 L C 2.281 179.153 176.870 0.003 0.000 1.071 178 L CA 2.575 57.431 54.840 0.027 0.000 0.749 178 L CB -1.386 40.700 42.059 0.045 0.000 0.890 178 L HN 0.038 nan 8.230 nan 0.000 0.431 179 S N -2.222 113.456 115.700 -0.036 0.000 2.402 179 S HA -0.170 4.299 4.470 -0.001 0.000 0.229 179 S C 1.838 176.414 174.600 -0.040 0.000 1.021 179 S CA 1.292 59.457 58.200 -0.058 0.000 0.974 179 S CB -1.452 61.667 63.200 -0.135 0.000 0.800 179 S HN 0.674 nan 8.310 nan 0.000 0.484 180 T N -0.069 114.469 114.554 -0.026 0.000 3.088 180 T HA 0.126 4.475 4.350 -0.001 0.000 0.259 180 T C 1.720 176.428 174.700 0.012 0.000 1.122 180 T CA 0.812 62.917 62.100 0.008 0.000 1.095 180 T CB -0.309 68.591 68.868 0.054 0.000 0.930 180 T HN 0.614 nan 8.240 nan 0.000 0.508 181 S N -0.234 115.473 115.700 0.012 0.000 2.523 181 S HA 0.239 4.708 4.470 -0.001 0.000 0.217 181 S C 0.348 174.956 174.600 0.013 0.000 0.996 181 S CA -0.498 57.710 58.200 0.015 0.000 0.921 181 S CB -0.195 63.018 63.200 0.021 0.000 0.829 181 S HN 0.454 nan 8.310 nan 0.000 0.495 182 E N 3.737 123.945 120.200 0.013 0.000 2.493 182 E HA 0.199 4.548 4.350 -0.001 0.000 0.255 182 E C 0.284 176.889 176.600 0.007 0.000 0.999 182 E CA 0.048 56.460 56.400 0.019 0.000 0.934 182 E CB 0.409 30.126 29.700 0.028 0.000 0.940 182 E HN 0.508 nan 8.360 nan 0.000 0.473 183 S N 3.304 119.003 115.700 -0.003 0.000 2.589 183 S HA 0.632 5.102 4.470 -0.001 0.000 0.265 183 S C 0.885 175.473 174.600 -0.021 0.000 1.342 183 S CA -0.362 57.831 58.200 -0.012 0.000 1.005 183 S CB 1.005 64.192 63.200 -0.022 0.000 0.909 183 S HN 1.178 nan 8.310 nan 0.000 0.555 184 G N 0.902 109.699 108.800 -0.006 0.000 2.681 184 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.220 184 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.220 184 G C -0.174 174.750 174.900 0.041 0.000 1.353 184 G CA 0.248 45.334 45.100 -0.024 0.000 0.872 184 G HN 1.858 nan 8.290 nan 0.000 0.557 185 Y N -2.207 118.103 120.300 0.018 0.000 2.500 185 Y HA 0.585 5.134 4.550 -0.001 0.000 0.246 185 Y C 2.495 178.409 175.900 0.024 0.000 1.146 185 Y CA 0.921 59.031 58.100 0.017 0.000 1.230 185 Y CB -0.404 38.079 38.460 0.038 0.000 1.214 185 Y HN 0.905 nan 8.280 nan 0.000 0.526 186 S N 0.985 116.568 115.700 -0.195 0.000 2.389 186 S HA -0.281 4.188 4.470 -0.001 0.000 0.231 186 S C 1.793 176.391 174.600 -0.003 0.000 1.052 186 S CA 2.677 60.825 58.200 -0.087 0.000 1.053 186 S CB -0.727 62.414 63.200 -0.099 0.000 0.886 186 S HN 0.678 nan 8.310 nan 0.000 0.456 187 T N 1.655 116.202 114.554 -0.011 0.000 2.904 187 T HA -0.043 4.306 4.350 -0.001 0.000 0.267 187 T C 1.412 176.069 174.700 -0.072 0.000 1.059 187 T CA 1.278 63.361 62.100 -0.028 0.000 1.137 187 T CB -0.429 68.422 68.868 -0.028 0.000 0.879 187 T HN 0.532 nan 8.240 nan 0.000 0.467 188 D N 1.356 121.716 120.400 -0.066 0.000 2.117 188 D HA -0.006 4.633 4.640 -0.001 0.000 0.198 188 D C 2.156 178.265 176.300 -0.317 0.000 0.982 188 D CA 0.787 54.643 54.000 -0.241 0.000 0.828 188 D CB -0.161 40.571 40.800 -0.113 0.000 0.967 188 D HN 0.334 nan 8.370 nan 0.000 0.464 189 L N 1.023 122.271 121.223 0.042 0.000 2.083 189 L HA -0.144 4.196 4.340 -0.001 0.000 0.209 189 L C 2.686 179.625 176.870 0.115 0.000 1.083 189 L CA 0.952 55.911 54.840 0.199 0.000 0.752 189 L CB -0.409 41.791 42.059 0.236 0.000 0.899 189 L HN -0.024 nan 8.230 nan 0.000 0.433 190 A N 0.261 123.101 122.820 0.034 0.000 1.933 190 A HA -0.162 4.158 4.320 -0.001 0.000 0.218 190 A C 2.194 179.756 177.584 -0.036 0.000 1.175 190 A CA 1.385 53.437 52.037 0.024 0.000 0.628 190 A CB -0.586 18.422 19.000 0.012 0.000 0.814 190 A HN 0.351 nan 8.150 nan 0.000 0.444 191 I N -1.558 118.929 120.570 -0.137 0.000 2.286 191 I HA -0.226 3.943 4.170 -0.001 0.000 0.248 191 I C 2.125 178.194 176.117 -0.079 0.000 1.115 191 I CA 1.124 62.298 61.300 -0.210 0.000 1.392 191 I CB -0.333 37.490 38.000 -0.295 0.000 1.065 191 I HN 0.269 nan 8.210 nan 0.000 0.418 192 F N 0.974 120.995 119.950 0.119 0.000 2.146 192 F HA -0.118 4.408 4.527 -0.001 0.000 0.298 192 F C 2.644 178.528 175.800 0.140 0.000 1.096 192 F CA 0.885 58.991 58.000 0.175 0.000 1.275 192 F CB -1.376 37.704 39.000 0.134 0.000 1.008 192 F HN -0.008 nan 8.300 nan 0.000 0.480 193 A N 0.084 123.072 122.820 0.280 0.000 1.917 193 A HA -0.177 4.142 4.320 -0.001 0.000 0.219 193 A C 2.430 180.186 177.584 0.286 0.000 1.182 193 A CA 2.290 54.481 52.037 0.258 0.000 0.633 193 A CB -1.284 17.839 19.000 0.205 0.000 0.819 193 A HN 0.195 nan 8.150 nan 0.000 0.448 194 V N -0.703 119.211 119.914 0.001 0.000 2.453 194 V HA -0.206 3.914 4.120 -0.001 0.000 0.247 194 V C 2.429 178.398 176.094 -0.209 0.000 1.048 194 V CA 1.892 63.960 62.300 -0.388 0.000 1.049 194 V CB -1.021 30.377 31.823 -0.709 0.000 0.672 194 V HN 0.636 nan 8.190 nan 0.000 0.457 195 H N 0.020 119.076 119.070 -0.023 0.000 2.319 195 H HA -0.105 4.450 4.556 -0.001 0.000 0.299 195 H C 2.289 177.665 175.328 0.081 0.000 1.092 195 H CA 1.893 57.966 56.048 0.042 0.000 1.302 195 H CB -0.223 29.621 29.762 0.136 0.000 1.373 195 H HN 0.327 nan 8.280 nan 0.000 0.497 196 L N -0.482 120.903 121.223 0.270 0.000 2.056 196 L HA -0.139 4.200 4.340 -0.001 0.000 0.207 196 L C 2.828 179.857 176.870 0.266 0.000 1.078 196 L CA 1.080 56.065 54.840 0.241 0.000 0.749 196 L CB -0.455 41.742 42.059 0.230 0.000 0.901 196 L HN 0.169 nan 8.230 nan 0.000 0.433 197 S N 0.382 116.255 115.700 0.287 0.000 2.353 197 S HA -0.178 4.291 4.470 -0.001 0.000 0.222 197 S C 2.102 176.811 174.600 0.182 0.000 1.035 197 S CA 1.621 59.977 58.200 0.261 0.000 1.025 197 S CB -0.617 62.591 63.200 0.014 0.000 0.902 197 S HN 0.509 nan 8.310 nan 0.000 0.440 198 G N 0.807 109.672 108.800 0.108 0.000 2.469 198 G HA2 -0.125 3.834 3.960 -0.001 0.000 0.219 198 G HA3 -0.125 3.834 3.960 -0.001 0.000 0.219 198 G C 1.679 176.657 174.900 0.130 0.000 1.150 198 G CA 1.216 46.376 45.100 0.100 0.000 0.763 198 G HN 0.753 nan 8.290 nan 0.000 0.561 199 A N 0.561 123.473 122.820 0.153 0.000 1.855 199 A HA 0.004 4.323 4.320 -0.001 0.000 0.215 199 A C 2.655 180.341 177.584 0.170 0.000 1.191 199 A CA 2.321 54.445 52.037 0.146 0.000 0.613 199 A CB -1.052 18.033 19.000 0.142 0.000 0.829 199 A HN 0.513 nan 8.150 nan 0.000 0.442 200 S N -0.203 115.629 115.700 0.219 0.000 2.372 200 S HA -0.202 4.268 4.470 -0.001 0.000 0.227 200 S C 2.238 176.987 174.600 0.247 0.000 1.044 200 S CA 2.360 60.724 58.200 0.274 0.000 1.050 200 S CB -0.519 62.900 63.200 0.365 0.000 0.901 200 S HN 0.551 nan 8.310 nan 0.000 0.447 201 S N 1.024 116.840 115.700 0.193 0.000 2.368 201 S HA 0.061 4.530 4.470 -0.001 0.000 0.225 201 S C 1.807 176.484 174.600 0.128 0.000 1.030 201 S CA 1.408 59.688 58.200 0.133 0.000 0.999 201 S CB -0.428 62.797 63.200 0.042 0.000 0.844 201 S HN 0.547 nan 8.310 nan 0.000 0.459 202 I N 1.305 121.942 120.570 0.112 0.000 2.252 202 I HA -0.160 4.010 4.170 -0.001 0.000 0.245 202 I C 2.079 178.252 176.117 0.093 0.000 1.102 202 I CA 1.029 62.381 61.300 0.085 0.000 1.385 202 I CB -0.413 37.632 38.000 0.074 0.000 1.064 202 I HN 0.248 nan 8.210 nan 0.000 0.414 203 L N 0.481 121.775 121.223 0.118 0.000 2.012 203 L HA -0.175 4.164 4.340 -0.001 0.000 0.210 203 L C 2.744 179.705 176.870 0.152 0.000 1.073 203 L CA 1.813 56.723 54.840 0.117 0.000 0.748 203 L CB -1.381 40.761 42.059 0.139 0.000 0.891 203 L HN 0.322 nan 8.230 nan 0.000 0.431 204 G N -0.312 108.615 108.800 0.211 0.000 2.476 204 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.218 204 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.218 204 G C 1.754 176.801 174.900 0.246 0.000 1.164 204 G CA 0.993 46.236 45.100 0.238 0.000 0.768 204 G HN 0.496 nan 8.290 nan 0.000 0.560 205 A N 0.506 123.500 122.820 0.291 0.000 1.933 205 A HA 0.034 4.353 4.320 -0.001 0.000 0.218 205 A C 2.424 180.023 177.584 0.025 0.000 1.175 205 A CA 1.397 53.548 52.037 0.190 0.000 0.628 205 A CB -0.347 18.684 19.000 0.052 0.000 0.814 205 A HN 0.395 nan 8.150 nan 0.000 0.444 206 I N -0.216 120.375 120.570 0.034 0.000 2.179 206 I HA -0.260 3.909 4.170 -0.001 0.000 0.242 206 I C 2.410 178.608 176.117 0.135 0.000 1.088 206 I CA 1.145 62.460 61.300 0.024 0.000 1.357 206 I CB -0.395 37.607 38.000 0.003 0.000 1.051 206 I HN 0.312 nan 8.210 nan 0.000 0.409 207 N N 0.621 119.432 118.700 0.186 0.000 2.018 207 N HA -0.196 4.543 4.740 -0.001 0.000 0.196 207 N C 1.866 177.442 175.510 0.110 0.000 1.043 207 N CA 1.600 54.780 53.050 0.217 0.000 0.856 207 N CB -0.228 38.363 38.487 0.174 0.000 1.042 207 N HN 0.184 nan 8.380 nan 0.000 0.423 208 M N 0.497 120.131 119.600 0.056 0.000 2.082 208 M HA -0.133 4.346 4.480 -0.001 0.000 0.258 208 M C 2.309 178.700 176.300 0.152 0.000 1.069 208 M CA 1.178 56.508 55.300 0.049 0.000 1.102 208 M CB -1.159 31.439 32.600 -0.002 0.000 1.336 208 M HN 0.132 nan 8.290 nan 0.000 0.404 209 I N -0.207 120.411 120.570 0.081 0.000 2.252 209 I HA -0.248 3.922 4.170 -0.001 0.000 0.245 209 I C 2.350 178.616 176.117 0.247 0.000 1.102 209 I CA 1.350 62.736 61.300 0.143 0.000 1.385 209 I CB -0.625 37.188 38.000 -0.312 0.000 1.064 209 I HN 0.317 nan 8.210 nan 0.000 0.414 210 T N -0.282 114.371 114.554 0.165 0.000 2.737 210 T HA -0.149 4.201 4.350 -0.001 0.000 0.265 210 T C 1.920 176.659 174.700 0.065 0.000 1.038 210 T CA 1.973 64.161 62.100 0.146 0.000 1.144 210 T CB -0.484 68.511 68.868 0.211 0.000 0.866 210 T HN 0.322 nan 8.240 nan 0.000 0.434 211 T N 1.761 116.334 114.554 0.030 0.000 2.720 211 T HA -0.063 4.287 4.350 -0.001 0.000 0.268 211 T C 1.549 176.247 174.700 -0.003 0.000 1.037 211 T CA 1.042 63.122 62.100 -0.033 0.000 1.144 211 T CB -0.524 68.313 68.868 -0.052 0.000 0.864 211 T HN 0.331 nan 8.240 nan 0.000 0.444 212 F N 1.170 121.074 119.950 -0.076 0.000 2.146 212 F HA 0.083 4.609 4.527 -0.001 0.000 0.298 212 F C 1.833 177.502 175.800 -0.218 0.000 1.096 212 F CA 1.117 59.009 58.000 -0.179 0.000 1.275 212 F CB -0.182 38.687 39.000 -0.218 0.000 1.008 212 F HN 0.040 nan 8.300 nan 0.000 0.480 213 L N -0.327 120.966 121.223 0.118 0.000 2.418 213 L HA -0.043 4.296 4.340 -0.001 0.000 0.218 213 L C 1.114 177.975 176.870 -0.014 0.000 1.125 213 L CA 0.544 55.424 54.840 0.068 0.000 0.835 213 L CB -0.339 41.857 42.059 0.228 0.000 0.953 213 L HN 0.166 nan 8.230 nan 0.000 0.454 214 N N -1.344 117.335 118.700 -0.035 0.000 2.239 214 N HA 0.193 4.933 4.740 -0.001 0.000 0.208 214 N C 0.997 176.456 175.510 -0.086 0.000 1.200 214 N CA 0.368 53.390 53.050 -0.045 0.000 0.895 214 N CB 0.819 39.293 38.487 -0.022 0.000 1.085 214 N HN 0.245 nan 8.380 nan 0.000 0.500 215 M N 0.290 119.819 119.600 -0.120 0.000 2.502 215 M HA 0.262 4.741 4.480 -0.001 0.000 0.351 215 M C -0.329 175.882 176.300 -0.148 0.000 1.118 215 M CA -0.205 55.019 55.300 -0.127 0.000 0.952 215 M CB 1.083 33.603 32.600 -0.133 0.000 1.424 215 M HN -0.236 nan 8.290 nan 0.000 0.529 216 R N 1.709 122.098 120.500 -0.184 0.000 2.489 216 R HA 0.409 4.748 4.340 -0.001 0.000 0.287 216 R C 0.468 176.693 176.300 -0.124 0.000 1.053 216 R CA -0.227 55.756 56.100 -0.195 0.000 1.036 216 R CB 0.588 30.728 30.300 -0.267 0.000 0.966 216 R HN 0.277 nan 8.270 nan 0.000 0.432 217 A N 5.838 128.600 122.820 -0.097 0.000 2.586 217 A HA 0.071 4.390 4.320 -0.001 0.000 0.231 217 A C -1.906 175.643 177.584 -0.058 0.000 1.055 217 A CA -0.820 51.179 52.037 -0.063 0.000 0.756 217 A CB -0.371 18.604 19.000 -0.042 0.000 0.988 217 A HN 0.455 nan 8.150 nan 0.000 0.509 218 P HA 0.282 nan 4.420 nan 0.000 0.264 218 P C 1.067 178.348 177.300 -0.030 0.000 1.193 218 P CA 1.684 64.762 63.100 -0.037 0.000 0.763 218 P CB 0.608 32.292 31.700 -0.028 0.000 0.810 219 G N 2.781 111.562 108.800 -0.031 0.000 2.241 219 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.244 219 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.244 219 G C 0.302 175.187 174.900 -0.024 0.000 0.998 219 G CA 0.124 45.210 45.100 -0.023 0.000 0.621 219 G HN 0.577 nan 8.290 nan 0.000 0.519 220 M N 3.289 122.867 119.600 -0.038 0.000 3.042 220 M HA 0.555 5.035 4.480 -0.001 0.000 0.283 220 M C 0.861 177.127 176.300 -0.058 0.000 1.473 220 M CA 0.219 55.493 55.300 -0.044 0.000 1.583 220 M CB -0.519 32.039 32.600 -0.070 0.000 1.221 220 M HN 0.273 nan 8.290 nan 0.000 0.518 221 T N 2.409 116.950 114.554 -0.021 0.000 2.813 221 T HA 0.118 4.468 4.350 -0.001 0.000 0.297 221 T C 1.241 175.965 174.700 0.039 0.000 1.036 221 T CA -0.334 61.759 62.100 -0.011 0.000 1.044 221 T CB 0.652 69.515 68.868 -0.009 0.000 0.993 221 T HN 0.814 nan 8.240 nan 0.000 0.535 222 M N 1.958 121.596 119.600 0.063 0.000 2.143 222 M HA -0.118 4.362 4.480 -0.001 0.000 0.258 222 M C 1.656 178.332 176.300 0.627 0.000 1.071 222 M CA 2.001 57.454 55.300 0.255 0.000 1.088 222 M CB -0.369 32.406 32.600 0.293 0.000 1.360 222 M HN 0.757 nan 8.290 nan 0.000 0.404 223 H N -2.056 117.202 119.070 0.314 0.000 2.533 223 H HA 0.085 4.640 4.556 -0.001 0.000 0.271 223 H C 1.282 176.672 175.328 0.103 0.000 1.000 223 H CA 0.078 56.314 56.048 0.314 0.000 1.149 223 H CB 0.290 30.155 29.762 0.172 0.000 1.375 223 H HN 0.370 nan 8.280 nan 0.000 0.582 224 K N 0.520 121.060 120.400 0.233 0.000 2.367 224 K HA 0.111 4.430 4.320 -0.001 0.000 0.195 224 K C 0.129 176.830 176.600 0.167 0.000 1.060 224 K CA -0.042 56.295 56.287 0.083 0.000 1.022 224 K CB 1.159 33.684 32.500 0.042 0.000 0.894 224 K HN -0.052 nan 8.250 nan 0.000 0.540 225 V N 4.603 124.698 119.914 0.301 0.000 2.540 225 V HA 0.012 4.131 4.120 -0.001 0.000 0.297 225 V C -2.207 174.219 176.094 0.554 0.000 1.024 225 V CA -1.175 61.290 62.300 0.275 0.000 1.105 225 V CB 0.244 32.048 31.823 -0.031 0.000 0.938 225 V HN 0.085 nan 8.190 nan 0.000 0.482 226 P HA 0.137 nan 4.420 nan 0.000 0.270 226 P C 0.973 178.723 177.300 0.750 0.000 1.223 226 P CA -0.183 63.214 63.100 0.495 0.000 0.785 226 P CB 0.606 32.471 31.700 0.275 0.000 0.923 227 L N 0.567 122.247 121.223 0.762 0.000 2.131 227 L HA -0.162 4.177 4.340 -0.001 0.000 0.210 227 L C 2.182 179.456 176.870 0.673 0.000 1.092 227 L CA 1.341 56.580 54.840 0.664 0.000 0.759 227 L CB -0.608 41.730 42.059 0.464 0.000 0.903 227 L HN 0.358 nan 8.230 nan 0.000 0.435 228 F N 0.902 121.180 119.950 0.547 0.000 2.134 228 F HA -0.250 4.276 4.527 -0.001 0.000 0.299 228 F C 2.419 178.485 175.800 0.442 0.000 1.097 228 F CA 1.286 59.460 58.000 0.290 0.000 1.264 228 F CB -0.284 38.696 39.000 -0.032 0.000 1.001 228 F HN 0.006 nan 8.300 nan 0.000 0.479 229 A N -0.566 122.567 122.820 0.522 0.000 1.902 229 A HA -0.220 4.100 4.320 -0.001 0.000 0.217 229 A C 2.154 179.941 177.584 0.338 0.000 1.181 229 A CA 1.605 53.882 52.037 0.400 0.000 0.623 229 A CB -1.721 17.585 19.000 0.509 0.000 0.818 229 A HN 0.657 nan 8.150 nan 0.000 0.443 230 W N 0.880 122.399 121.300 0.364 0.000 2.358 230 W HA -0.225 4.434 4.660 -0.001 0.000 0.303 230 W C 3.081 179.689 176.519 0.149 0.000 1.208 230 W CA 2.200 59.693 57.345 0.247 0.000 1.274 230 W CB -0.181 29.422 29.460 0.239 0.000 1.138 230 W HN 0.503 nan 8.180 nan 0.000 0.515 231 S N -0.034 115.879 115.700 0.354 0.000 2.368 231 S HA -0.208 4.261 4.470 -0.001 0.000 0.225 231 S C 1.778 176.433 174.600 0.092 0.000 1.030 231 S CA 1.409 59.736 58.200 0.212 0.000 0.999 231 S CB -0.736 62.577 63.200 0.187 0.000 0.844 231 S HN 0.076 nan 8.310 nan 0.000 0.459 232 I N 1.095 121.618 120.570 -0.079 0.000 2.208 232 I HA -0.066 4.103 4.170 -0.001 0.000 0.245 232 I C 2.256 178.438 176.117 0.108 0.000 1.097 232 I CA 1.088 62.365 61.300 -0.038 0.000 1.363 232 I CB -1.526 36.322 38.000 -0.254 0.000 1.051 232 I HN 0.329 nan 8.210 nan 0.000 0.413 233 F N 1.680 121.535 119.950 -0.159 0.000 2.075 233 F HA -0.201 4.325 4.527 -0.001 0.000 0.297 233 F C 2.498 178.316 175.800 0.029 0.000 1.113 233 F CA 1.605 59.422 58.000 -0.305 0.000 1.218 233 F CB -0.645 37.722 39.000 -1.054 0.000 0.984 233 F HN -0.153 nan 8.300 nan 0.000 0.472 234 V N 0.050 120.029 119.914 0.107 0.000 2.287 234 V HA -0.373 3.746 4.120 -0.001 0.000 0.248 234 V C 2.359 178.518 176.094 0.107 0.000 1.053 234 V CA 2.485 64.864 62.300 0.133 0.000 1.027 234 V CB -1.443 30.518 31.823 0.229 0.000 0.646 234 V HN 0.448 nan 8.190 nan 0.000 0.447 235 T N 0.481 115.093 114.554 0.097 0.000 2.685 235 T HA -0.280 4.069 4.350 -0.001 0.000 0.268 235 T C 2.027 176.707 174.700 -0.033 0.000 1.034 235 T CA 1.957 64.078 62.100 0.035 0.000 1.149 235 T CB -0.519 68.384 68.868 0.059 0.000 0.860 235 T HN 0.620 nan 8.240 nan 0.000 0.449 236 A N 0.121 122.952 122.820 0.018 0.000 1.933 236 A HA -0.079 4.240 4.320 -0.001 0.000 0.218 236 A C 2.082 179.564 177.584 -0.170 0.000 1.175 236 A CA 1.313 53.316 52.037 -0.056 0.000 0.628 236 A CB -1.110 17.863 19.000 -0.044 0.000 0.814 236 A HN 0.701 nan 8.150 nan 0.000 0.444 237 W N 0.282 121.497 121.300 -0.141 0.000 2.358 237 W HA -0.112 4.547 4.660 -0.001 0.000 0.303 237 W C 2.094 178.620 176.519 0.012 0.000 1.208 237 W CA 1.001 58.279 57.345 -0.113 0.000 1.274 237 W CB -0.287 29.051 29.460 -0.203 0.000 1.138 237 W HN 0.217 nan 8.180 nan 0.000 0.515 238 L N -0.292 121.103 121.223 0.287 0.000 2.017 238 L HA -0.250 4.089 4.340 -0.001 0.000 0.208 238 L C 2.174 179.210 176.870 0.276 0.000 1.073 238 L CA 1.332 56.388 54.840 0.359 0.000 0.745 238 L CB -1.213 40.971 42.059 0.208 0.000 0.894 238 L HN 0.039 nan 8.230 nan 0.000 0.432 239 I N 0.077 120.699 120.570 0.087 0.000 2.194 239 I HA -0.346 3.823 4.170 -0.001 0.000 0.246 239 I C 2.563 178.749 176.117 0.114 0.000 1.093 239 I CA 1.498 62.822 61.300 0.041 0.000 1.355 239 I CB -0.282 37.642 38.000 -0.127 0.000 1.046 239 I HN 0.271 nan 8.210 nan 0.000 0.413 240 L N -0.281 121.001 121.223 0.100 0.000 2.093 240 L HA -0.203 4.136 4.340 -0.001 0.000 0.208 240 L C 2.487 179.450 176.870 0.155 0.000 1.085 240 L CA 0.986 55.886 54.840 0.100 0.000 0.755 240 L CB -0.379 41.711 42.059 0.052 0.000 0.904 240 L HN 0.325 nan 8.230 nan 0.000 0.435 241 L N -0.516 120.830 121.223 0.205 0.000 2.202 241 L HA 0.103 4.442 4.340 -0.001 0.000 0.205 241 L C 2.471 179.557 176.870 0.361 0.000 1.083 241 L CA 1.601 56.554 54.840 0.189 0.000 0.790 241 L CB -0.449 41.567 42.059 -0.071 0.000 0.942 241 L HN 0.049 nan 8.230 nan 0.000 0.452 242 A N -0.505 122.601 122.820 0.477 0.000 1.854 242 A HA -0.048 4.271 4.320 -0.001 0.000 0.214 242 A C 2.056 179.894 177.584 0.423 0.000 1.192 242 A CA 1.403 53.749 52.037 0.514 0.000 0.611 242 A CB -0.760 18.465 19.000 0.374 0.000 0.832 242 A HN 0.346 nan 8.150 nan 0.000 0.442 243 L N -0.254 121.154 121.223 0.309 0.000 2.083 243 L HA -0.076 4.263 4.340 -0.001 0.000 0.209 243 L C -0.495 176.423 176.870 0.080 0.000 1.083 243 L CA 1.939 56.878 54.840 0.166 0.000 0.752 243 L CB -2.322 39.818 42.059 0.135 0.000 0.899 243 L HN 0.219 nan 8.230 nan 0.000 0.433 244 P HA -0.098 nan 4.420 nan 0.000 0.216 244 P C 2.151 179.480 177.300 0.050 0.000 1.150 244 P CA 0.891 64.036 63.100 0.074 0.000 0.837 244 P CB 0.151 31.898 31.700 0.079 0.000 0.786 245 V N -0.403 119.567 119.914 0.094 0.000 2.358 245 V HA -0.204 3.915 4.120 -0.001 0.000 0.246 245 V C 2.376 178.455 176.094 -0.024 0.000 1.047 245 V CA 1.491 63.825 62.300 0.057 0.000 1.035 245 V CB -1.254 30.686 31.823 0.195 0.000 0.658 245 V HN 0.057 nan 8.190 nan 0.000 0.452 246 L N 1.194 122.374 121.223 -0.071 0.000 2.042 246 L HA -0.122 4.218 4.340 -0.001 0.000 0.210 246 L C 2.478 179.199 176.870 -0.248 0.000 1.076 246 L CA 2.420 57.072 54.840 -0.313 0.000 0.749 246 L CB -1.005 40.555 42.059 -0.831 0.000 0.893 246 L HN 0.216 nan 8.230 nan 0.000 0.432 247 A N -0.332 122.399 122.820 -0.148 0.000 1.917 247 A HA -0.159 4.161 4.320 -0.001 0.000 0.219 247 A C 2.359 179.957 177.584 0.024 0.000 1.182 247 A CA 1.893 53.911 52.037 -0.031 0.000 0.633 247 A CB -1.727 17.337 19.000 0.107 0.000 0.819 247 A HN 0.573 nan 8.150 nan 0.000 0.448 248 G N -0.549 108.241 108.800 -0.016 0.000 2.480 248 G HA2 -0.062 3.897 3.960 -0.001 0.000 0.216 248 G HA3 -0.062 3.897 3.960 -0.001 0.000 0.216 248 G C 1.840 176.717 174.900 -0.038 0.000 1.200 248 G CA 1.936 47.013 45.100 -0.037 0.000 0.782 248 G HN 0.917 nan 8.290 nan 0.000 0.554 249 A N 1.421 124.203 122.820 -0.063 0.000 1.884 249 A HA -0.158 4.162 4.320 -0.001 0.000 0.219 249 A C 2.486 180.162 177.584 0.152 0.000 1.197 249 A CA 2.220 54.256 52.037 -0.002 0.000 0.637 249 A CB -0.640 18.210 19.000 -0.250 0.000 0.827 249 A HN 0.894 nan 8.150 nan 0.000 0.450 250 I N -3.382 117.193 120.570 0.008 0.000 2.676 250 I HA -0.089 4.081 4.170 -0.001 0.000 0.259 250 I C 1.912 178.063 176.117 0.057 0.000 1.194 250 I CA 1.905 63.198 61.300 -0.012 0.000 1.473 250 I CB -0.802 37.046 38.000 -0.253 0.000 1.096 250 I HN 0.134 nan 8.210 nan 0.000 0.443 251 T N 1.419 116.039 114.554 0.110 0.000 2.851 251 T HA 0.053 4.403 4.350 -0.001 0.000 0.262 251 T C 1.904 176.691 174.700 0.145 0.000 1.043 251 T CA 1.527 63.738 62.100 0.185 0.000 1.140 251 T CB -0.193 68.784 68.868 0.181 0.000 0.872 251 T HN 0.303 nan 8.240 nan 0.000 0.446 252 M N 0.769 120.411 119.600 0.069 0.000 2.144 252 M HA -0.055 4.425 4.480 -0.001 0.000 0.260 252 M C 2.080 178.535 176.300 0.258 0.000 1.067 252 M CA 1.560 56.868 55.300 0.013 0.000 1.095 252 M CB -0.664 31.786 32.600 -0.250 0.000 1.365 252 M HN 0.192 nan 8.290 nan 0.000 0.406 253 L N -0.645 120.771 121.223 0.321 0.000 2.056 253 L HA -0.204 4.136 4.340 -0.001 0.000 0.207 253 L C 2.456 179.413 176.870 0.146 0.000 1.078 253 L CA 0.753 55.733 54.840 0.233 0.000 0.749 253 L CB -0.613 41.495 42.059 0.081 0.000 0.901 253 L HN 0.288 nan 8.230 nan 0.000 0.433 254 L N -0.171 121.135 121.223 0.138 0.000 2.093 254 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 254 L C 2.731 179.742 176.870 0.235 0.000 1.085 254 L CA 2.257 57.177 54.840 0.133 0.000 0.755 254 L CB -0.531 41.622 42.059 0.156 0.000 0.904 254 L HN 0.429 nan 8.230 nan 0.000 0.435 255 T N -5.207 109.534 114.554 0.311 0.000 2.896 255 T HA -0.103 4.246 4.350 -0.001 0.000 0.263 255 T C 1.657 176.491 174.700 0.224 0.000 1.050 255 T CA 0.971 63.312 62.100 0.402 0.000 1.140 255 T CB -0.520 68.587 68.868 0.398 0.000 0.877 255 T HN 0.178 nan 8.240 nan 0.000 0.457 256 D N 1.282 121.790 120.400 0.180 0.000 2.182 256 D HA -0.021 4.618 4.640 -0.001 0.000 0.201 256 D C 2.469 178.797 176.300 0.048 0.000 0.986 256 D CA 0.878 54.930 54.000 0.087 0.000 0.847 256 D CB -0.149 40.722 40.800 0.118 0.000 0.942 256 D HN 0.450 nan 8.370 nan 0.000 0.467 257 R N -0.255 120.272 120.500 0.045 0.000 2.073 257 R HA 0.086 4.425 4.340 -0.001 0.000 0.229 257 R C 1.253 177.496 176.300 -0.093 0.000 1.120 257 R CA 0.909 57.001 56.100 -0.014 0.000 0.967 257 R CB 0.035 30.324 30.300 -0.018 0.000 0.862 257 R HN 0.209 nan 8.270 nan 0.000 0.436 258 N N -1.139 117.453 118.700 -0.180 0.000 2.297 258 N HA 0.071 4.810 4.740 -0.001 0.000 0.208 258 N C -0.071 174.983 175.510 -0.759 0.000 1.176 258 N CA 0.413 53.145 53.050 -0.529 0.000 0.882 258 N CB 0.830 38.837 38.487 -0.802 0.000 1.134 258 N HN 0.058 nan 8.380 nan 0.000 0.489 259 F N 0.285 120.250 119.950 0.026 0.000 2.835 259 F HA 0.391 4.917 4.527 -0.001 0.000 0.342 259 F C 1.335 177.125 175.800 -0.017 0.000 1.202 259 F CA -0.606 57.402 58.000 0.014 0.000 1.240 259 F CB 0.549 39.569 39.000 0.032 0.000 1.005 259 F HN -0.058 nan 8.300 nan 0.000 0.507 260 G N 1.238 110.071 108.800 0.055 0.000 2.212 260 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.267 260 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.267 260 G C 0.473 175.341 174.900 -0.054 0.000 1.002 260 G CA 0.724 45.824 45.100 0.000 0.000 0.729 260 G HN 0.531 nan 8.290 nan 0.000 0.517 261 T N -2.202 112.307 114.554 -0.074 0.000 2.868 261 T HA 0.551 4.900 4.350 -0.001 0.000 0.292 261 T C 0.907 175.436 174.700 -0.284 0.000 1.028 261 T CA 0.702 62.626 62.100 -0.293 0.000 1.059 261 T CB 1.695 70.291 68.868 -0.454 0.000 0.991 261 T HN 1.096 nan 8.240 nan 0.000 0.531 262 T N -1.036 113.263 114.554 -0.426 0.000 3.533 262 T HA 0.316 4.665 4.350 -0.001 0.000 0.275 262 T C 0.573 175.103 174.700 -0.284 0.000 1.000 262 T CA -0.696 61.253 62.100 -0.252 0.000 1.015 262 T CB -0.819 67.960 68.868 -0.149 0.000 1.153 262 T HN 0.424 nan 8.240 nan 0.000 0.504 263 F N 0.995 120.747 119.950 -0.330 0.000 2.161 263 F HA 0.109 4.635 4.527 -0.001 0.000 0.300 263 F C 1.199 176.730 175.800 -0.448 0.000 1.089 263 F CA 1.120 58.785 58.000 -0.558 0.000 1.282 263 F CB -0.461 37.880 39.000 -1.098 0.000 1.010 263 F HN 0.395 nan 8.300 nan 0.000 0.485 264 F N -1.342 118.731 119.950 0.204 0.000 2.688 264 F HA 0.275 4.801 4.527 -0.001 0.000 0.310 264 F C 0.106 175.945 175.800 0.065 0.000 1.098 264 F CA -0.701 57.371 58.000 0.121 0.000 1.228 264 F CB -0.499 38.553 39.000 0.087 0.000 1.042 264 F HN -0.238 nan 8.300 nan 0.000 0.557 265 Q N 1.609 121.495 119.800 0.144 0.000 2.372 265 Q HA 0.309 4.649 4.340 -0.001 0.000 0.259 265 Q C -2.101 173.934 176.000 0.060 0.000 0.993 265 Q CA -2.135 53.720 55.803 0.087 0.000 0.854 265 Q CB 1.528 30.290 28.738 0.040 0.000 1.231 265 Q HN 0.048 nan 8.270 nan 0.000 0.462 266 P HA -0.176 nan 4.420 nan 0.000 0.219 266 P C 1.297 178.616 177.300 0.032 0.000 1.146 266 P CA 1.335 64.468 63.100 0.055 0.000 0.808 266 P CB 0.311 32.046 31.700 0.058 0.000 0.779 267 S N -1.192 114.522 115.700 0.024 0.000 2.423 267 S HA -0.033 4.437 4.470 -0.001 0.000 0.231 267 S C 1.946 176.545 174.600 -0.002 0.000 1.014 267 S CA 1.214 59.421 58.200 0.012 0.000 0.965 267 S CB -1.552 61.653 63.200 0.009 0.000 0.785 267 S HN 0.227 nan 8.310 nan 0.000 0.495 268 G N -0.320 108.474 108.800 -0.011 0.000 3.434 268 G HA2 0.481 4.441 3.960 -0.001 0.000 0.258 268 G HA3 0.481 4.441 3.960 -0.001 0.000 0.258 268 G C 0.905 175.786 174.900 -0.032 0.000 1.128 268 G CA -0.111 44.968 45.100 -0.035 0.000 0.792 268 G HN 1.272 nan 8.290 nan 0.000 0.539 269 G N -0.977 107.821 108.800 -0.004 0.000 2.143 269 G HA2 -0.037 3.922 3.960 -0.001 0.000 0.249 269 G HA3 -0.037 3.922 3.960 -0.001 0.000 0.249 269 G C 0.779 175.696 174.900 0.029 0.000 0.981 269 G CA 0.225 45.331 45.100 0.010 0.000 0.665 269 G HN 1.033 nan 8.290 nan 0.000 0.528 270 G N -0.789 108.033 108.800 0.036 0.000 2.599 270 G HA2 0.496 4.455 3.960 -0.001 0.000 0.264 270 G HA3 0.496 4.455 3.960 -0.001 0.000 0.264 270 G C -0.685 174.300 174.900 0.141 0.000 1.200 270 G CA 0.469 45.621 45.100 0.086 0.000 0.896 270 G HN 0.435 nan 8.290 nan 0.000 0.536 271 D N -0.064 120.471 120.400 0.225 0.000 2.476 271 D HA 0.381 5.021 4.640 -0.001 0.000 0.251 271 D C -1.831 174.645 176.300 0.293 0.000 1.291 271 D CA -1.932 52.200 54.000 0.220 0.000 0.939 271 D CB 2.171 43.085 40.800 0.191 0.000 1.221 271 D HN -0.031 nan 8.370 nan 0.000 0.567 272 P HA -0.130 nan 4.420 nan 0.000 0.219 272 P C 1.423 178.715 177.300 -0.013 0.000 1.146 272 P CA 0.532 63.690 63.100 0.096 0.000 0.808 272 P CB 0.414 32.144 31.700 0.050 0.000 0.779 273 V N -0.652 119.288 119.914 0.043 0.000 2.626 273 V HA -0.187 3.932 4.120 -0.001 0.000 0.252 273 V C 2.319 178.460 176.094 0.078 0.000 1.067 273 V CA 1.144 63.444 62.300 0.001 0.000 1.081 273 V CB -1.181 30.669 31.823 0.046 0.000 0.686 273 V HN 0.076 nan 8.190 nan 0.000 0.468 274 L N 0.049 121.395 121.223 0.206 0.000 2.012 274 L HA -0.231 4.108 4.340 -0.001 0.000 0.210 274 L C 2.330 179.286 176.870 0.142 0.000 1.073 274 L CA 2.277 57.288 54.840 0.285 0.000 0.748 274 L CB -0.928 41.358 42.059 0.380 0.000 0.891 274 L HN 0.464 nan 8.230 nan 0.000 0.431 275 Y N 0.181 120.319 120.300 -0.270 0.000 2.151 275 Y HA -0.336 4.213 4.550 -0.001 0.000 0.284 275 Y C 2.565 178.229 175.900 -0.393 0.000 1.166 275 Y CA 2.310 60.015 58.100 -0.658 0.000 1.163 275 Y CB -0.290 37.283 38.460 -1.479 0.000 0.974 275 Y HN 0.401 nan 8.280 nan 0.000 0.511 276 Q N -1.054 118.550 119.800 -0.327 0.000 2.084 276 Q HA -0.242 4.098 4.340 -0.001 0.000 0.202 276 Q C 2.118 178.036 176.000 -0.135 0.000 0.978 276 Q CA 1.578 57.181 55.803 -0.334 0.000 0.844 276 Q CB -0.348 28.187 28.738 -0.338 0.000 0.898 276 Q HN 0.651 nan 8.270 nan 0.000 0.426 277 H N 0.372 119.439 119.070 -0.004 0.000 2.290 277 H HA -0.124 4.431 4.556 -0.001 0.000 0.298 277 H C 2.226 177.433 175.328 -0.203 0.000 1.087 277 H CA 1.510 57.597 56.048 0.065 0.000 1.291 277 H CB -0.222 29.624 29.762 0.141 0.000 1.369 277 H HN 0.259 nan 8.280 nan 0.000 0.492 278 I N 0.632 121.121 120.570 -0.136 0.000 2.179 278 I HA -0.246 3.923 4.170 -0.001 0.000 0.242 278 I C 2.819 178.765 176.117 -0.285 0.000 1.088 278 I CA 0.617 61.774 61.300 -0.238 0.000 1.357 278 I CB -0.283 37.578 38.000 -0.232 0.000 1.051 278 I HN 0.167 nan 8.210 nan 0.000 0.409 279 L N 0.582 121.453 121.223 -0.586 0.000 1.990 279 L HA -0.234 4.105 4.340 -0.001 0.000 0.213 279 L C 2.227 178.882 176.870 -0.359 0.000 1.072 279 L CA 2.447 56.901 54.840 -0.645 0.000 0.755 279 L CB -1.057 40.335 42.059 -1.111 0.000 0.889 279 L HN 0.349 nan 8.230 nan 0.000 0.432 280 W N -1.301 119.903 121.300 -0.159 0.000 2.595 280 W HA -0.187 4.473 4.660 -0.001 0.000 0.257 280 W C 2.349 178.838 176.519 -0.051 0.000 1.267 280 W CA 0.176 57.468 57.345 -0.087 0.000 1.300 280 W CB -0.404 29.073 29.460 0.028 0.000 1.120 280 W HN 0.136 nan 8.180 nan 0.000 0.618 281 F N -0.025 119.822 119.950 -0.171 0.000 2.171 281 F HA -0.214 4.313 4.527 -0.001 0.000 0.300 281 F C 2.208 177.998 175.800 -0.016 0.000 1.090 281 F CA 1.703 59.533 58.000 -0.284 0.000 1.293 281 F CB -0.556 38.123 39.000 -0.536 0.000 1.013 281 F HN -0.023 nan 8.300 nan 0.000 0.486 282 F N 0.083 120.039 119.950 0.010 0.000 2.234 282 F HA 0.172 4.698 4.527 -0.001 0.000 0.296 282 F C 2.192 177.931 175.800 -0.101 0.000 1.089 282 F CA 1.431 59.407 58.000 -0.040 0.000 1.343 282 F CB -1.071 37.902 39.000 -0.045 0.000 1.040 282 F HN -0.112 nan 8.300 nan 0.000 0.498 283 G N -0.794 107.757 108.800 -0.415 0.000 2.408 283 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.217 283 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.217 283 G C 1.394 176.157 174.900 -0.230 0.000 1.150 283 G CA 1.098 45.859 45.100 -0.565 0.000 0.776 283 G HN 0.563 nan 8.290 nan 0.000 0.542 284 H N 1.586 120.650 119.070 -0.010 0.000 2.276 284 H HA -0.002 4.553 4.556 -0.001 0.000 0.301 284 H C 0.185 175.457 175.328 -0.094 0.000 1.073 284 H CA 1.655 57.736 56.048 0.054 0.000 1.311 284 H CB -0.473 29.416 29.762 0.212 0.000 1.379 284 H HN 0.230 nan 8.280 nan 0.000 0.494 285 P HA -0.234 nan 4.420 nan 0.000 0.218 285 P C 1.214 178.316 177.300 -0.330 0.000 1.154 285 P CA 2.223 65.115 63.100 -0.346 0.000 0.872 285 P CB -0.080 31.138 31.700 -0.804 0.000 0.790 286 E N 0.110 119.954 120.200 -0.593 0.000 2.114 286 E HA -0.211 4.138 4.350 -0.001 0.000 0.199 286 E C 1.677 177.991 176.600 -0.476 0.000 1.008 286 E CA 2.036 58.055 56.400 -0.634 0.000 0.810 286 E CB -1.191 27.868 29.700 -1.068 0.000 0.739 286 E HN 0.188 nan 8.360 nan 0.000 0.456 287 V N -1.484 118.112 119.914 -0.530 0.000 2.548 287 V HA -0.133 3.986 4.120 -0.001 0.000 0.249 287 V C 1.872 177.622 176.094 -0.574 0.000 1.055 287 V CA 1.561 63.508 62.300 -0.589 0.000 1.065 287 V CB -1.026 30.378 31.823 -0.699 0.000 0.681 287 V HN 0.264 nan 8.190 nan 0.000 0.462 288 Y N 0.494 120.622 120.300 -0.287 0.000 2.337 288 Y HA 0.196 4.745 4.550 -0.001 0.000 0.293 288 Y C 2.346 178.128 175.900 -0.198 0.000 1.123 288 Y CA 1.431 59.425 58.100 -0.176 0.000 1.201 288 Y CB -0.471 37.951 38.460 -0.064 0.000 1.011 288 Y HN 0.176 nan 8.280 nan 0.000 0.545 289 I N -0.332 120.176 120.570 -0.104 0.000 2.264 289 I HA -0.326 3.843 4.170 -0.001 0.000 0.248 289 I C 2.029 178.031 176.117 -0.192 0.000 1.111 289 I CA 1.484 62.685 61.300 -0.166 0.000 1.382 289 I CB -0.386 37.478 38.000 -0.227 0.000 1.060 289 I HN 0.194 nan 8.210 nan 0.000 0.418 290 I N -0.499 119.929 120.570 -0.237 0.000 2.179 290 I HA -0.259 3.910 4.170 -0.001 0.000 0.242 290 I C 2.485 178.496 176.117 -0.177 0.000 1.088 290 I CA 1.253 62.421 61.300 -0.219 0.000 1.357 290 I CB -0.255 37.575 38.000 -0.282 0.000 1.051 290 I HN 0.052 nan 8.210 nan 0.000 0.409 291 V N 0.674 120.443 119.914 -0.240 0.000 2.725 291 V HA -0.091 4.029 4.120 -0.001 0.000 0.247 291 V C 2.223 177.997 176.094 -0.532 0.000 1.058 291 V CA 0.985 63.090 62.300 -0.324 0.000 1.080 291 V CB 0.109 31.725 31.823 -0.345 0.000 0.713 291 V HN 0.276 nan 8.190 nan 0.000 0.465 292 L N 0.494 121.473 121.223 -0.407 0.000 1.990 292 L HA -0.148 4.192 4.340 -0.001 0.000 0.213 292 L C -0.012 176.846 176.870 -0.020 0.000 1.072 292 L CA 2.123 56.804 54.840 -0.265 0.000 0.755 292 L CB -1.915 40.132 42.059 -0.020 0.000 0.889 292 L HN 0.340 nan 8.230 nan 0.000 0.432 293 P HA -0.185 nan 4.420 nan 0.000 0.218 293 P C 1.383 178.845 177.300 0.269 0.000 1.148 293 P CA 1.759 64.975 63.100 0.193 0.000 0.822 293 P CB -0.039 31.817 31.700 0.262 0.000 0.784 294 A N -1.201 121.676 122.820 0.095 0.000 1.933 294 A HA -0.195 4.125 4.320 -0.001 0.000 0.218 294 A C 1.909 179.475 177.584 -0.029 0.000 1.175 294 A CA 1.317 53.356 52.037 0.004 0.000 0.628 294 A CB -1.665 17.338 19.000 0.004 0.000 0.814 294 A HN 0.027 nan 8.150 nan 0.000 0.444 295 F N 0.513 120.442 119.950 -0.035 0.000 2.095 295 F HA -0.105 4.422 4.527 -0.001 0.000 0.298 295 F C 2.665 178.577 175.800 0.187 0.000 1.104 295 F CA 0.525 58.584 58.000 0.099 0.000 1.232 295 F CB -1.576 37.609 39.000 0.309 0.000 0.987 295 F HN 0.271 nan 8.300 nan 0.000 0.475 296 G N 0.560 109.630 108.800 0.449 0.000 2.514 296 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.217 296 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.217 296 G C 1.912 177.003 174.900 0.319 0.000 1.198 296 G CA 1.202 46.592 45.100 0.484 0.000 0.780 296 G HN 0.358 nan 8.290 nan 0.000 0.565 297 I N 0.320 121.000 120.570 0.183 0.000 2.163 297 I HA -0.200 3.970 4.170 -0.001 0.000 0.243 297 I C 2.836 178.752 176.117 -0.335 0.000 1.085 297 I CA 0.676 61.844 61.300 -0.220 0.000 1.347 297 I CB -0.392 37.425 38.000 -0.305 0.000 1.044 297 I HN 0.046 nan 8.210 nan 0.000 0.408 298 V N 0.177 119.860 119.914 -0.385 0.000 2.287 298 V HA -0.309 3.810 4.120 -0.001 0.000 0.248 298 V C 2.554 178.414 176.094 -0.390 0.000 1.053 298 V CA 2.288 64.215 62.300 -0.622 0.000 1.027 298 V CB -0.642 30.439 31.823 -1.238 0.000 0.646 298 V HN 0.387 nan 8.190 nan 0.000 0.447 299 S N -1.538 114.167 115.700 0.009 0.000 2.359 299 S HA -0.225 4.244 4.470 -0.001 0.000 0.224 299 S C 1.820 176.528 174.600 0.179 0.000 1.035 299 S CA 1.559 59.953 58.200 0.325 0.000 1.018 299 S CB -0.466 63.055 63.200 0.534 0.000 0.876 299 S HN 0.700 nan 8.310 nan 0.000 0.448 300 H N -0.104 118.938 119.070 -0.047 0.000 2.321 300 H HA -0.027 4.529 4.556 -0.001 0.000 0.300 300 H C 2.243 177.308 175.328 -0.438 0.000 1.087 300 H CA 1.515 57.483 56.048 -0.134 0.000 1.319 300 H CB -0.178 29.540 29.762 -0.073 0.000 1.379 300 H HN 0.209 nan 8.280 nan 0.000 0.501 301 V N 1.282 120.851 119.914 -0.575 0.000 2.343 301 V HA -0.235 3.885 4.120 -0.001 0.000 0.247 301 V C 2.533 178.464 176.094 -0.271 0.000 1.051 301 V CA 1.510 63.379 62.300 -0.718 0.000 1.036 301 V CB -0.399 30.979 31.823 -0.741 0.000 0.654 301 V HN 0.326 nan 8.190 nan 0.000 0.451 302 I N 0.233 120.678 120.570 -0.208 0.000 2.202 302 I HA -0.195 3.974 4.170 -0.001 0.000 0.242 302 I C 2.727 178.824 176.117 -0.034 0.000 1.091 302 I CA 1.319 62.564 61.300 -0.092 0.000 1.368 302 I CB -0.659 37.301 38.000 -0.067 0.000 1.058 302 I HN 0.283 nan 8.210 nan 0.000 0.410 303 A N 0.511 123.321 122.820 -0.018 0.000 1.903 303 A HA -0.278 4.041 4.320 -0.001 0.000 0.219 303 A C 2.377 179.907 177.584 -0.090 0.000 1.191 303 A CA 2.824 54.851 52.037 -0.017 0.000 0.638 303 A CB -1.241 17.762 19.000 0.005 0.000 0.823 303 A HN 0.406 nan 8.150 nan 0.000 0.451 304 T N -1.175 113.273 114.554 -0.177 0.000 2.737 304 T HA -0.058 4.291 4.350 -0.001 0.000 0.265 304 T C 1.349 175.763 174.700 -0.476 0.000 1.038 304 T CA 1.663 63.551 62.100 -0.353 0.000 1.144 304 T CB -0.350 68.197 68.868 -0.535 0.000 0.866 304 T HN 0.445 nan 8.240 nan 0.000 0.434 305 F N 0.610 120.420 119.950 -0.233 0.000 2.754 305 F HA 0.429 4.955 4.527 -0.001 0.000 0.297 305 F C 2.236 177.934 175.800 -0.171 0.000 1.122 305 F CA -0.106 57.761 58.000 -0.222 0.000 1.400 305 F CB -0.148 38.678 39.000 -0.291 0.000 1.117 305 F HN 0.095 nan 8.300 nan 0.000 0.587 306 A N -0.131 122.674 122.820 -0.025 0.000 2.178 306 A HA 0.038 4.357 4.320 -0.001 0.000 0.211 306 A C 1.167 178.654 177.584 -0.162 0.000 1.157 306 A CA 0.095 52.095 52.037 -0.060 0.000 0.780 306 A CB -0.433 18.554 19.000 -0.021 0.000 0.828 306 A HN 0.278 nan 8.150 nan 0.000 0.476 307 K N -1.124 119.120 120.400 -0.261 0.000 3.150 307 K HA -0.189 4.130 4.320 -0.001 0.000 0.267 307 K C -0.394 175.753 176.600 -0.754 0.000 1.028 307 K CA 1.268 57.167 56.287 -0.647 0.000 0.753 307 K CB -1.420 30.715 32.500 -0.608 0.000 1.288 307 K HN 0.642 nan 8.250 nan 0.000 0.473 308 K N 0.068 120.287 120.400 -0.302 0.000 2.557 308 K HA 0.339 4.658 4.320 -0.001 0.000 0.261 308 K C -2.970 173.639 176.600 0.015 0.000 0.932 308 K CA -1.865 54.359 56.287 -0.105 0.000 0.829 308 K CB 2.059 34.532 32.500 -0.045 0.000 1.358 308 K HN -0.297 nan 8.250 nan 0.000 0.430 309 P HA 0.109 nan 4.420 nan 0.000 0.272 309 P C -0.510 176.850 177.300 0.099 0.000 1.223 309 P CA -0.576 62.565 63.100 0.068 0.000 0.784 309 P CB 0.400 32.128 31.700 0.047 0.000 0.923 310 I N 2.564 123.205 120.570 0.119 0.000 2.741 310 I HA -0.019 4.151 4.170 -0.001 0.000 0.288 310 I C -0.122 176.096 176.117 0.169 0.000 1.192 310 I CA 0.048 61.452 61.300 0.173 0.000 1.426 310 I CB -0.719 37.396 38.000 0.192 0.000 1.367 310 I HN 0.138 nan 8.210 nan 0.000 0.563 311 F N 8.137 128.119 119.950 0.053 0.000 2.543 311 F HA 0.396 4.923 4.527 -0.001 0.000 0.375 311 F C 1.252 177.041 175.800 -0.018 0.000 1.075 311 F CA 0.471 58.483 58.000 0.021 0.000 1.225 311 F CB 0.079 39.090 39.000 0.019 0.000 1.099 311 F HN 0.768 nan 8.300 nan 0.000 0.561 312 G N 6.288 114.962 108.800 -0.210 0.000 2.374 312 G HA2 -0.389 3.570 3.960 -0.001 0.000 0.289 312 G HA3 -0.389 3.570 3.960 -0.001 0.000 0.289 312 G C 0.346 175.216 174.900 -0.050 0.000 1.004 312 G CA 0.538 45.574 45.100 -0.107 0.000 1.292 312 G HN 1.035 nan 8.290 nan 0.000 0.502 313 Y N 0.563 120.770 120.300 -0.154 0.000 2.114 313 Y HA -0.144 4.406 4.550 -0.001 0.000 0.282 313 Y C 2.487 178.219 175.900 -0.281 0.000 1.165 313 Y CA 2.384 60.389 58.100 -0.158 0.000 1.148 313 Y CB -0.142 38.245 38.460 -0.122 0.000 0.972 313 Y HN 0.420 nan 8.280 nan 0.000 0.504 314 L N -0.242 120.817 121.223 -0.274 0.000 2.044 314 L HA -0.098 4.241 4.340 -0.001 0.000 0.205 314 L C -0.419 176.059 176.870 -0.653 0.000 1.075 314 L CA 1.046 55.513 54.840 -0.621 0.000 0.747 314 L CB -1.644 40.123 42.059 -0.487 0.000 0.903 314 L HN 0.184 nan 8.230 nan 0.000 0.435 315 P HA -0.206 nan 4.420 nan 0.000 0.216 315 P C 1.840 179.014 177.300 -0.210 0.000 1.153 315 P CA 1.446 64.459 63.100 -0.145 0.000 0.858 315 P CB -0.044 31.623 31.700 -0.056 0.000 0.789 316 M N -1.278 118.146 119.600 -0.293 0.000 2.108 316 M HA -0.107 4.372 4.480 -0.001 0.000 0.261 316 M C 2.034 178.126 176.300 -0.345 0.000 1.066 316 M CA 1.548 56.661 55.300 -0.311 0.000 1.107 316 M CB -1.555 30.865 32.600 -0.300 0.000 1.356 316 M HN -0.143 nan 8.290 nan 0.000 0.406 317 V N -0.778 118.774 119.914 -0.602 0.000 2.307 317 V HA -0.265 3.855 4.120 -0.001 0.000 0.245 317 V C 2.280 178.155 176.094 -0.364 0.000 1.045 317 V CA 1.560 63.422 62.300 -0.730 0.000 1.024 317 V CB -0.880 30.133 31.823 -1.348 0.000 0.651 317 V HN 0.250 nan 8.190 nan 0.000 0.449 318 Y N 0.623 120.742 120.300 -0.303 0.000 2.242 318 Y HA -0.032 4.518 4.550 -0.001 0.000 0.291 318 Y C 2.541 178.375 175.900 -0.110 0.000 1.137 318 Y CA 0.529 58.521 58.100 -0.179 0.000 1.181 318 Y CB -1.393 36.980 38.460 -0.146 0.000 0.989 318 Y HN 0.197 nan 8.280 nan 0.000 0.527 319 A N -0.010 122.835 122.820 0.042 0.000 1.908 319 A HA -0.231 4.089 4.320 -0.001 0.000 0.218 319 A C 2.355 179.974 177.584 0.058 0.000 1.181 319 A CA 1.966 54.015 52.037 0.019 0.000 0.627 319 A CB -0.814 18.156 19.000 -0.049 0.000 0.818 319 A HN 0.415 nan 8.150 nan 0.000 0.445 320 M N -0.677 118.963 119.600 0.067 0.000 2.159 320 M HA -0.139 4.340 4.480 -0.001 0.000 0.263 320 M C 2.084 178.458 176.300 0.123 0.000 1.063 320 M CA 1.435 56.823 55.300 0.145 0.000 1.110 320 M CB -0.471 32.233 32.600 0.174 0.000 1.374 320 M HN 0.284 nan 8.290 nan 0.000 0.411 321 V N 0.151 120.127 119.914 0.102 0.000 2.379 321 V HA -0.187 3.933 4.120 -0.001 0.000 0.245 321 V C 2.628 178.755 176.094 0.054 0.000 1.044 321 V CA 1.859 64.218 62.300 0.098 0.000 1.036 321 V CB -1.264 30.629 31.823 0.117 0.000 0.664 321 V HN 0.486 nan 8.190 nan 0.000 0.453 322 A N 0.117 122.961 122.820 0.039 0.000 1.877 322 A HA -0.154 4.165 4.320 -0.001 0.000 0.216 322 A C 2.200 179.780 177.584 -0.006 0.000 1.186 322 A CA 1.853 53.896 52.037 0.009 0.000 0.620 322 A CB -0.554 18.448 19.000 0.003 0.000 0.822 322 A HN 0.478 nan 8.150 nan 0.000 0.443 323 I N -0.227 120.343 120.570 0.001 0.000 2.163 323 I HA -0.226 3.943 4.170 -0.001 0.000 0.243 323 I C 2.708 178.720 176.117 -0.174 0.000 1.085 323 I CA 1.202 62.457 61.300 -0.075 0.000 1.347 323 I CB -0.598 37.428 38.000 0.044 0.000 1.044 323 I HN 0.406 nan 8.210 nan 0.000 0.408 324 G N 0.230 109.008 108.800 -0.036 0.000 2.440 324 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.218 324 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.218 324 G C 1.687 176.654 174.900 0.111 0.000 1.154 324 G CA 0.992 46.107 45.100 0.024 0.000 0.767 324 G HN 0.255 nan 8.290 nan 0.000 0.552 325 V N 0.748 120.716 119.914 0.089 0.000 2.346 325 V HA -0.012 4.107 4.120 -0.001 0.000 0.244 325 V C 2.840 179.016 176.094 0.137 0.000 1.037 325 V CA 1.181 63.561 62.300 0.134 0.000 1.029 325 V CB -0.382 31.467 31.823 0.043 0.000 0.663 325 V HN 0.320 nan 8.190 nan 0.000 0.454 326 L N 0.744 121.981 121.223 0.023 0.000 2.265 326 L HA -0.066 4.274 4.340 -0.001 0.000 0.215 326 L C 2.402 179.218 176.870 -0.089 0.000 1.117 326 L CA 1.298 56.129 54.840 -0.015 0.000 0.782 326 L CB -0.891 41.135 42.059 -0.055 0.000 0.914 326 L HN 0.489 nan 8.230 nan 0.000 0.441 327 G N -1.072 107.608 108.800 -0.201 0.000 2.708 327 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.210 327 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.210 327 G C 1.091 175.814 174.900 -0.295 0.000 1.141 327 G CA 0.093 44.975 45.100 -0.363 0.000 0.788 327 G HN 0.295 nan 8.290 nan 0.000 0.531 328 F N -0.230 119.679 119.950 -0.069 0.000 2.721 328 F HA 0.179 4.705 4.527 -0.001 0.000 0.301 328 F C 1.767 177.671 175.800 0.173 0.000 1.096 328 F CA 0.049 57.982 58.000 -0.111 0.000 1.308 328 F CB 1.036 39.953 39.000 -0.138 0.000 1.086 328 F HN 0.077 nan 8.300 nan 0.000 0.587 329 V N -1.995 118.123 119.914 0.340 0.000 3.085 329 V HA 0.271 4.391 4.120 -0.001 0.000 0.345 329 V C 0.482 176.716 176.094 0.233 0.000 1.397 329 V CA 0.376 62.924 62.300 0.414 0.000 1.165 329 V CB -0.269 31.732 31.823 0.296 0.000 1.153 329 V HN 0.049 nan 8.190 nan 0.000 0.495 330 V N -4.014 115.996 119.914 0.161 0.000 3.382 330 V HA 0.285 4.404 4.120 -0.001 0.000 0.296 330 V C 1.671 177.498 176.094 -0.445 0.000 1.529 330 V CA 0.318 62.583 62.300 -0.058 0.000 1.048 330 V CB -0.565 31.131 31.823 -0.213 0.000 0.878 330 V HN 0.718 nan 8.190 nan 0.000 0.442 331 W N 2.221 123.398 121.300 -0.205 0.000 2.331 331 W HA 0.063 4.722 4.660 -0.001 0.000 0.291 331 W C 1.767 177.960 176.519 -0.544 0.000 1.214 331 W CA 1.755 58.943 57.345 -0.262 0.000 1.228 331 W CB -0.875 28.615 29.460 0.049 0.000 1.135 331 W HN 0.253 nan 8.180 nan 0.000 0.537 332 A N 1.602 123.511 122.820 -1.517 0.000 2.238 332 A HA -0.073 4.247 4.320 -0.001 0.000 0.208 332 A C 1.791 178.713 177.584 -1.104 0.000 1.177 332 A CA 0.921 52.159 52.037 -1.332 0.000 0.804 332 A CB -1.765 16.076 19.000 -1.932 0.000 0.823 332 A HN 0.785 nan 8.150 nan 0.000 0.482 333 H N -2.663 115.789 119.070 -1.031 0.000 2.545 333 H HA -0.020 4.536 4.556 -0.001 0.000 0.282 333 H C 0.741 175.322 175.328 -1.246 0.000 1.020 333 H CA 0.947 56.139 56.048 -1.426 0.000 1.243 333 H CB -0.339 28.912 29.762 -0.852 0.000 1.377 333 H HN 0.646 nan 8.280 nan 0.000 0.581 334 H N 0.445 119.093 119.070 -0.703 0.000 2.539 334 H HA 0.190 4.746 4.556 -0.001 0.000 0.267 334 H C 0.616 175.564 175.328 -0.632 0.000 0.982 334 H CA 0.394 55.955 56.048 -0.812 0.000 1.146 334 H CB 0.436 29.122 29.762 -1.793 0.000 1.382 334 H HN 0.508 nan 8.280 nan 0.000 0.577 335 M N -0.821 118.462 119.600 -0.530 0.000 2.687 335 M HA 0.077 4.557 4.480 -0.001 0.000 0.413 335 M C 0.307 176.459 176.300 -0.246 0.000 1.216 335 M CA -0.172 54.923 55.300 -0.342 0.000 0.871 335 M CB 0.660 33.074 32.600 -0.311 0.000 1.481 335 M HN -0.056 nan 8.290 nan 0.000 0.521 336 Y N 0.974 121.109 120.300 -0.275 0.000 2.256 336 Y HA -0.135 4.414 4.550 -0.001 0.000 0.288 336 Y C 2.806 178.609 175.900 -0.161 0.000 1.155 336 Y CA 1.865 59.851 58.100 -0.190 0.000 1.203 336 Y CB -0.810 37.555 38.460 -0.159 0.000 0.980 336 Y HN 0.381 nan 8.280 nan 0.000 0.530 337 T N -4.049 110.455 114.554 -0.084 0.000 3.105 337 T HA 0.433 4.782 4.350 -0.001 0.000 0.253 337 T C 1.629 176.320 174.700 -0.014 0.000 1.047 337 T CA 0.332 62.407 62.100 -0.043 0.000 0.944 337 T CB -0.108 68.742 68.868 -0.030 0.000 1.016 337 T HN 0.161 nan 8.240 nan 0.000 0.544 338 A N 0.905 123.705 122.820 -0.034 0.000 2.208 338 A HA 0.636 4.955 4.320 -0.001 0.000 0.209 338 A C 1.798 179.395 177.584 0.022 0.000 1.161 338 A CA 0.367 52.405 52.037 0.001 0.000 0.782 338 A CB -0.758 18.220 19.000 -0.035 0.000 0.816 338 A HN 1.378 nan 8.150 nan 0.000 0.477 339 G N -1.070 107.749 108.800 0.032 0.000 2.157 339 G HA2 -0.100 3.860 3.960 -0.001 0.000 0.118 339 G HA3 -0.100 3.860 3.960 -0.001 0.000 0.118 339 G C -0.131 174.811 174.900 0.071 0.000 1.032 339 G CA -0.219 44.912 45.100 0.052 0.000 0.697 339 G HN 0.302 nan 8.290 nan 0.000 0.495 340 L N 1.919 123.187 121.223 0.076 0.000 2.417 340 L HA 0.509 4.849 4.340 -0.001 0.000 0.268 340 L C 1.624 178.555 176.870 0.101 0.000 1.158 340 L CA -0.000 54.907 54.840 0.111 0.000 0.819 340 L CB 1.081 43.217 42.059 0.128 0.000 1.112 340 L HN 0.485 nan 8.230 nan 0.000 0.458 341 S N 1.829 117.595 115.700 0.110 0.000 2.584 341 S HA 0.033 4.502 4.470 -0.001 0.000 0.270 341 S C 0.893 175.544 174.600 0.084 0.000 1.346 341 S CA -0.641 57.611 58.200 0.086 0.000 1.018 341 S CB 0.899 64.149 63.200 0.082 0.000 0.899 341 S HN 0.583 nan 8.310 nan 0.000 0.542 342 L N 2.279 123.535 121.223 0.055 0.000 2.081 342 L HA -0.054 4.286 4.340 -0.001 0.000 0.212 342 L C 2.392 179.294 176.870 0.055 0.000 1.080 342 L CA 2.365 57.228 54.840 0.038 0.000 0.754 342 L CB -1.618 40.452 42.059 0.018 0.000 0.893 342 L HN 0.963 nan 8.230 nan 0.000 0.433 343 T N -0.706 113.887 114.554 0.064 0.000 2.674 343 T HA -0.201 4.148 4.350 -0.001 0.000 0.265 343 T C 1.802 176.576 174.700 0.123 0.000 1.039 343 T CA 1.792 63.934 62.100 0.070 0.000 1.150 343 T CB -0.167 68.730 68.868 0.050 0.000 0.864 343 T HN 0.501 nan 8.240 nan 0.000 0.427 344 Q N 0.730 120.629 119.800 0.164 0.000 2.061 344 Q HA -0.180 4.159 4.340 -0.001 0.000 0.204 344 Q C 2.603 178.842 176.000 0.397 0.000 0.984 344 Q CA 1.480 57.460 55.803 0.295 0.000 0.846 344 Q CB -0.233 28.689 28.738 0.305 0.000 0.902 344 Q HN 0.602 nan 8.270 nan 0.000 0.421 345 Q N -0.100 119.862 119.800 0.271 0.000 2.096 345 Q HA -0.162 4.177 4.340 -0.001 0.000 0.204 345 Q C 2.307 178.408 176.000 0.168 0.000 0.982 345 Q CA 1.540 57.494 55.803 0.251 0.000 0.850 345 Q CB -0.047 28.733 28.738 0.070 0.000 0.901 345 Q HN 0.239 nan 8.270 nan 0.000 0.422 346 S N 0.048 115.806 115.700 0.098 0.000 2.355 346 S HA -0.178 4.291 4.470 -0.001 0.000 0.222 346 S C 1.613 176.237 174.600 0.041 0.000 1.031 346 S CA 1.242 59.466 58.200 0.040 0.000 0.993 346 S CB -0.453 62.764 63.200 0.027 0.000 0.859 346 S HN 0.463 nan 8.310 nan 0.000 0.453 347 Y N 1.652 121.933 120.300 -0.032 0.000 2.081 347 Y HA -0.221 4.329 4.550 -0.001 0.000 0.280 347 Y C 1.810 177.610 175.900 -0.166 0.000 1.163 347 Y CA 1.529 59.535 58.100 -0.156 0.000 1.135 347 Y CB -0.805 37.469 38.460 -0.309 0.000 0.970 347 Y HN 0.203 nan 8.280 nan 0.000 0.498 348 F N -0.028 119.709 119.950 -0.354 0.000 2.216 348 F HA -0.226 4.300 4.527 -0.001 0.000 0.300 348 F C 2.730 178.389 175.800 -0.234 0.000 1.085 348 F CA 1.746 59.468 58.000 -0.464 0.000 1.326 348 F CB -0.631 38.237 39.000 -0.221 0.000 1.027 348 F HN 0.201 nan 8.300 nan 0.000 0.497 349 M N -0.444 119.224 119.600 0.114 0.000 2.080 349 M HA -0.257 4.223 4.480 -0.001 0.000 0.260 349 M C 2.164 178.423 176.300 -0.068 0.000 1.068 349 M CA 1.694 57.035 55.300 0.067 0.000 1.109 349 M CB -0.087 32.506 32.600 -0.011 0.000 1.342 349 M HN 0.038 nan 8.290 nan 0.000 0.405 350 M N 0.427 119.936 119.600 -0.151 0.000 2.065 350 M HA -0.143 4.336 4.480 -0.001 0.000 0.259 350 M C 2.491 178.669 176.300 -0.202 0.000 1.069 350 M CA 2.027 57.232 55.300 -0.159 0.000 1.110 350 M CB -1.900 30.612 32.600 -0.145 0.000 1.328 350 M HN 0.512 nan 8.290 nan 0.000 0.405 351 A N -0.012 122.573 122.820 -0.391 0.000 1.933 351 A HA -0.127 4.192 4.320 -0.001 0.000 0.218 351 A C 2.349 179.832 177.584 -0.168 0.000 1.175 351 A CA 2.223 54.052 52.037 -0.346 0.000 0.628 351 A CB -1.130 17.479 19.000 -0.652 0.000 0.814 351 A HN 0.529 nan 8.150 nan 0.000 0.444 352 T N 0.110 114.600 114.554 -0.106 0.000 2.821 352 T HA -0.109 4.240 4.350 -0.001 0.000 0.267 352 T C 1.918 176.603 174.700 -0.025 0.000 1.046 352 T CA 1.672 63.772 62.100 -0.000 0.000 1.139 352 T CB -0.304 68.622 68.868 0.098 0.000 0.871 352 T HN 0.467 nan 8.240 nan 0.000 0.454 353 M N 0.531 120.104 119.600 -0.045 0.000 2.159 353 M HA -0.073 4.406 4.480 -0.001 0.000 0.263 353 M C 2.414 178.694 176.300 -0.033 0.000 1.063 353 M CA 1.119 56.395 55.300 -0.040 0.000 1.110 353 M CB -0.624 31.947 32.600 -0.047 0.000 1.374 353 M HN 0.101 nan 8.290 nan 0.000 0.411 354 V N 0.811 120.698 119.914 -0.045 0.000 2.261 354 V HA -0.279 3.840 4.120 -0.001 0.000 0.246 354 V C 2.209 178.292 176.094 -0.018 0.000 1.047 354 V CA 1.932 64.211 62.300 -0.034 0.000 1.015 354 V CB -0.517 31.279 31.823 -0.046 0.000 0.642 354 V HN 0.471 nan 8.190 nan 0.000 0.446 355 I N 0.225 120.783 120.570 -0.020 0.000 2.423 355 I HA -0.248 3.922 4.170 -0.001 0.000 0.254 355 I C 2.380 178.526 176.117 0.048 0.000 1.151 355 I CA 1.347 62.646 61.300 -0.002 0.000 1.421 355 I CB -0.269 37.709 38.000 -0.038 0.000 1.079 355 I HN 0.324 nan 8.210 nan 0.000 0.431 356 A N -0.002 122.842 122.820 0.039 0.000 1.972 356 A HA -0.145 4.174 4.320 -0.001 0.000 0.219 356 A C 2.235 179.838 177.584 0.031 0.000 1.169 356 A CA 1.777 53.840 52.037 0.044 0.000 0.635 356 A CB -0.811 18.193 19.000 0.006 0.000 0.810 356 A HN 0.358 nan 8.150 nan 0.000 0.446 357 V N 1.116 121.041 119.914 0.018 0.000 2.223 357 V HA -0.153 3.967 4.120 -0.001 0.000 0.244 357 V C 0.012 176.115 176.094 0.014 0.000 1.045 357 V CA 2.325 64.634 62.300 0.015 0.000 1.000 357 V CB -1.699 30.131 31.823 0.012 0.000 0.635 357 V HN 0.449 nan 8.190 nan 0.000 0.445 358 P HA -0.116 nan 4.420 nan 0.000 0.220 358 P C 1.591 178.898 177.300 0.012 0.000 1.148 358 P CA 1.571 64.676 63.100 0.008 0.000 0.803 358 P CB -0.213 31.498 31.700 0.017 0.000 0.782 359 T N -0.170 114.434 114.554 0.083 0.000 2.701 359 T HA -0.054 4.296 4.350 -0.001 0.000 0.263 359 T C 2.199 176.966 174.700 0.112 0.000 1.040 359 T CA 1.842 64.055 62.100 0.189 0.000 1.147 359 T CB -1.236 67.837 68.868 0.341 0.000 0.865 359 T HN 0.172 nan 8.240 nan 0.000 0.426 360 G N 1.129 109.949 108.800 0.033 0.000 2.422 360 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.218 360 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.218 360 G C 1.570 176.290 174.900 -0.300 0.000 1.146 360 G CA 0.420 45.463 45.100 -0.095 0.000 0.769 360 G HN 0.472 nan 8.290 nan 0.000 0.547 361 I N 0.365 120.806 120.570 -0.214 0.000 2.208 361 I HA -0.202 3.968 4.170 -0.001 0.000 0.245 361 I C 2.771 178.721 176.117 -0.279 0.000 1.097 361 I CA 1.238 62.422 61.300 -0.192 0.000 1.363 361 I CB -0.123 37.880 38.000 0.005 0.000 1.051 361 I HN 0.125 nan 8.210 nan 0.000 0.413 362 K N 0.366 120.550 120.400 -0.360 0.000 2.228 362 K HA -0.211 4.109 4.320 -0.001 0.000 0.205 362 K C 1.972 178.192 176.600 -0.633 0.000 1.045 362 K CA 1.185 57.049 56.287 -0.706 0.000 0.931 362 K CB -0.108 31.760 32.500 -1.053 0.000 0.727 362 K HN 0.273 nan 8.250 nan 0.000 0.458 363 I N 0.429 120.856 120.570 -0.239 0.000 2.163 363 I HA -0.266 3.903 4.170 -0.001 0.000 0.243 363 I C 2.058 178.201 176.117 0.044 0.000 1.085 363 I CA 1.607 62.943 61.300 0.060 0.000 1.347 363 I CB -1.059 36.899 38.000 -0.070 0.000 1.044 363 I HN 0.029 nan 8.210 nan 0.000 0.408 364 F N 1.552 121.478 119.950 -0.041 0.000 2.102 364 F HA -0.161 4.365 4.527 -0.001 0.000 0.298 364 F C 2.887 178.559 175.800 -0.213 0.000 1.105 364 F CA 1.242 59.169 58.000 -0.122 0.000 1.239 364 F CB -1.617 37.285 39.000 -0.164 0.000 0.991 364 F HN 0.024 nan 8.300 nan 0.000 0.474 365 S N -0.845 114.803 115.700 -0.086 0.000 2.383 365 S HA -0.218 4.251 4.470 -0.001 0.000 0.229 365 S C 1.898 176.460 174.600 -0.063 0.000 1.030 365 S CA 1.257 59.344 58.200 -0.188 0.000 1.002 365 S CB -0.545 62.514 63.200 -0.235 0.000 0.829 365 S HN 0.383 nan 8.310 nan 0.000 0.467 366 W N 1.484 122.788 121.300 0.006 0.000 2.388 366 W HA 0.157 4.817 4.660 -0.001 0.000 0.294 366 W C 2.066 178.613 176.519 0.047 0.000 1.212 366 W CA -0.035 57.324 57.345 0.022 0.000 1.271 366 W CB -1.027 28.437 29.460 0.006 0.000 1.126 366 W HN 0.306 nan 8.180 nan 0.000 0.535 367 I N 0.377 121.113 120.570 0.276 0.000 2.315 367 I HA -0.250 3.919 4.170 -0.001 0.000 0.248 367 I C 2.484 178.710 176.117 0.181 0.000 1.117 367 I CA 1.534 62.970 61.300 0.227 0.000 1.404 367 I CB -0.857 37.281 38.000 0.229 0.000 1.071 367 I HN -0.191 nan 8.210 nan 0.000 0.419 368 A N 0.075 122.892 122.820 -0.006 0.000 2.119 368 A HA -0.116 4.204 4.320 -0.001 0.000 0.217 368 A C 2.296 179.952 177.584 0.121 0.000 1.153 368 A CA 1.765 53.706 52.037 -0.160 0.000 0.692 368 A CB -0.769 17.673 19.000 -0.931 0.000 0.799 368 A HN 0.369 nan 8.150 nan 0.000 0.458 369 T N -0.044 114.626 114.554 0.194 0.000 2.812 369 T HA -0.072 4.277 4.350 -0.001 0.000 0.264 369 T C 1.924 176.740 174.700 0.193 0.000 1.042 369 T CA 1.579 63.827 62.100 0.247 0.000 1.140 369 T CB -0.267 68.754 68.868 0.255 0.000 0.870 369 T HN 0.451 nan 8.240 nan 0.000 0.445 370 M N -0.322 119.388 119.600 0.183 0.000 2.213 370 M HA -0.006 4.473 4.480 -0.001 0.000 0.263 370 M C 0.958 177.339 176.300 0.135 0.000 1.062 370 M CA 0.738 56.114 55.300 0.126 0.000 1.105 370 M CB -0.095 32.575 32.600 0.118 0.000 1.385 370 M HN 0.317 nan 8.290 nan 0.000 0.417 371 W N 1.584 122.899 121.300 0.024 0.000 2.322 371 W HA 0.152 4.811 4.660 -0.001 0.000 0.328 371 W C 0.930 177.464 176.519 0.025 0.000 1.395 371 W CA 1.676 59.029 57.345 0.015 0.000 1.267 371 W CB 0.286 29.744 29.460 -0.003 0.000 1.259 371 W HN 0.588 nan 8.180 nan 0.000 0.560 372 G N 3.564 112.298 108.800 -0.111 0.000 2.205 372 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.261 372 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.261 372 G C 0.472 175.351 174.900 -0.035 0.000 0.980 372 G CA 0.166 45.254 45.100 -0.020 0.000 0.632 372 G HN 0.940 nan 8.290 nan 0.000 0.533 373 G N -0.565 108.209 108.800 -0.044 0.000 2.516 373 G HA2 0.496 4.455 3.960 -0.001 0.000 0.276 373 G HA3 0.496 4.455 3.960 -0.001 0.000 0.276 373 G C 0.303 175.150 174.900 -0.088 0.000 1.390 373 G CA 0.840 45.902 45.100 -0.063 0.000 1.050 373 G HN 1.270 nan 8.290 nan 0.000 0.519 374 S N -0.491 115.151 115.700 -0.098 0.000 2.395 374 S HA 0.428 4.898 4.470 -0.001 0.000 0.207 374 S C -0.315 174.247 174.600 -0.064 0.000 1.454 374 S CA -0.627 57.525 58.200 -0.080 0.000 1.211 374 S CB -0.414 62.741 63.200 -0.075 0.000 1.093 374 S HN 0.370 nan 8.310 nan 0.000 0.472 375 I N 4.502 125.038 120.570 -0.056 0.000 2.371 375 I HA 0.283 4.453 4.170 -0.001 0.000 0.290 375 I C 0.264 176.372 176.117 -0.015 0.000 1.028 375 I CA -0.234 61.044 61.300 -0.037 0.000 1.345 375 I CB 1.013 38.979 38.000 -0.057 0.000 1.407 375 I HN 0.574 nan 8.210 nan 0.000 0.501 376 E N 7.016 127.236 120.200 0.032 0.000 2.166 376 E HA 0.441 4.790 4.350 -0.001 0.000 0.275 376 E C -0.889 175.688 176.600 -0.038 0.000 0.941 376 E CA -0.746 55.681 56.400 0.044 0.000 0.784 376 E CB 1.699 31.478 29.700 0.132 0.000 1.115 376 E HN 0.528 nan 8.360 nan 0.000 0.399 377 L N 3.298 124.465 121.223 -0.094 0.000 2.865 377 L HA 0.213 4.553 4.340 -0.001 0.000 0.233 377 L C 0.101 176.818 176.870 -0.254 0.000 1.320 377 L CA -0.582 54.130 54.840 -0.213 0.000 1.225 377 L CB -0.488 41.468 42.059 -0.172 0.000 1.542 377 L HN 0.319 nan 8.230 nan 0.000 0.432 378 K N -0.058 120.142 120.400 -0.332 0.000 2.168 378 K HA 0.202 4.522 4.320 -0.001 0.000 0.258 378 K C 1.354 177.657 176.600 -0.496 0.000 1.010 378 K CA -0.201 55.908 56.287 -0.298 0.000 0.929 378 K CB 1.008 33.369 32.500 -0.232 0.000 0.998 378 K HN 0.112 nan 8.250 nan 0.000 0.479 379 T N 2.626 116.999 114.554 -0.302 0.000 2.624 379 T HA -0.161 4.188 4.350 -0.001 0.000 0.266 379 T C -1.053 173.349 174.700 -0.497 0.000 1.050 379 T CA 1.895 63.703 62.100 -0.487 0.000 1.163 379 T CB -0.888 67.671 68.868 -0.514 0.000 0.861 379 T HN 0.491 nan 8.240 nan 0.000 0.443 380 P HA -0.017 nan 4.420 nan 0.000 0.217 380 P C 1.579 178.571 177.300 -0.514 0.000 1.150 380 P CA 0.894 63.822 63.100 -0.287 0.000 0.832 380 P CB -0.111 31.390 31.700 -0.330 0.000 0.787 381 M N -1.155 117.919 119.600 -0.878 0.000 2.200 381 M HA -0.054 4.426 4.480 -0.001 0.000 0.265 381 M C 1.791 177.739 176.300 -0.586 0.000 1.066 381 M CA 1.663 56.550 55.300 -0.688 0.000 1.127 381 M CB -1.233 30.934 32.600 -0.721 0.000 1.379 381 M HN -0.215 nan 8.290 nan 0.000 0.420 382 L N -1.359 119.368 121.223 -0.826 0.000 2.012 382 L HA -0.243 4.097 4.340 -0.001 0.000 0.210 382 L C 2.232 178.475 176.870 -1.045 0.000 1.073 382 L CA 1.841 55.895 54.840 -1.310 0.000 0.748 382 L CB -1.018 39.756 42.059 -2.141 0.000 0.891 382 L HN 0.445 nan 8.230 nan 0.000 0.431 383 W N -0.269 120.711 121.300 -0.534 0.000 2.318 383 W HA -0.250 4.409 4.660 -0.001 0.000 0.313 383 W C 2.737 179.314 176.519 0.097 0.000 1.221 383 W CA 0.967 58.278 57.345 -0.057 0.000 1.266 383 W CB -0.431 28.961 29.460 -0.114 0.000 1.150 383 W HN 0.134 nan 8.180 nan 0.000 0.496 384 A N -0.031 122.826 122.820 0.062 0.000 1.930 384 A HA -0.133 4.187 4.320 -0.001 0.000 0.217 384 A C 1.929 179.534 177.584 0.034 0.000 1.175 384 A CA 1.374 53.384 52.037 -0.045 0.000 0.627 384 A CB -0.918 17.924 19.000 -0.262 0.000 0.815 384 A HN 0.313 nan 8.150 nan 0.000 0.443 385 L N -0.891 120.310 121.223 -0.036 0.000 2.072 385 L HA -0.058 4.281 4.340 -0.001 0.000 0.205 385 L C 2.843 179.804 176.870 0.153 0.000 1.079 385 L CA 0.947 55.787 54.840 0.000 0.000 0.752 385 L CB -0.911 41.057 42.059 -0.151 0.000 0.906 385 L HN 0.469 nan 8.230 nan 0.000 0.436 386 G N 0.119 109.073 108.800 0.256 0.000 2.440 386 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.218 386 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.218 386 G C 1.510 176.672 174.900 0.435 0.000 1.154 386 G CA 0.760 46.163 45.100 0.506 0.000 0.767 386 G HN 0.305 nan 8.290 nan 0.000 0.552 387 F N 1.376 121.526 119.950 0.333 0.000 2.091 387 F HA -0.087 4.439 4.527 -0.001 0.000 0.299 387 F C 2.463 178.336 175.800 0.122 0.000 1.103 387 F CA 1.419 59.510 58.000 0.152 0.000 1.228 387 F CB -0.263 38.791 39.000 0.090 0.000 0.984 387 F HN 0.068 nan 8.300 nan 0.000 0.477 388 L N -1.017 120.414 121.223 0.347 0.000 2.012 388 L HA -0.232 4.108 4.340 -0.001 0.000 0.210 388 L C 2.471 179.473 176.870 0.220 0.000 1.073 388 L CA 1.764 56.767 54.840 0.272 0.000 0.748 388 L CB -1.070 41.139 42.059 0.250 0.000 0.891 388 L HN 0.261 nan 8.230 nan 0.000 0.431 389 F N 0.853 120.878 119.950 0.125 0.000 2.069 389 F HA -0.232 4.294 4.527 -0.001 0.000 0.298 389 F C 2.256 178.096 175.800 0.067 0.000 1.113 389 F CA 1.631 59.707 58.000 0.127 0.000 1.214 389 F CB -0.322 38.821 39.000 0.238 0.000 0.978 389 F HN -0.145 nan 8.300 nan 0.000 0.474 390 L N -1.155 120.055 121.223 -0.021 0.000 2.046 390 L HA -0.212 4.127 4.340 -0.001 0.000 0.208 390 L C 2.468 179.204 176.870 -0.223 0.000 1.077 390 L CA 1.459 56.205 54.840 -0.157 0.000 0.747 390 L CB -0.979 40.957 42.059 -0.205 0.000 0.896 390 L HN 0.193 nan 8.230 nan 0.000 0.432 391 F N 0.884 120.563 119.950 -0.452 0.000 2.216 391 F HA -0.215 4.312 4.527 -0.001 0.000 0.300 391 F C 2.419 178.055 175.800 -0.274 0.000 1.085 391 F CA 1.787 59.519 58.000 -0.447 0.000 1.326 391 F CB -0.290 38.303 39.000 -0.679 0.000 1.027 391 F HN -0.034 nan 8.300 nan 0.000 0.497 392 T N -0.377 114.058 114.554 -0.198 0.000 2.732 392 T HA -0.134 4.215 4.350 -0.001 0.000 0.261 392 T C 2.208 176.686 174.700 -0.371 0.000 1.040 392 T CA 1.580 63.535 62.100 -0.242 0.000 1.145 392 T CB -0.708 68.079 68.868 -0.134 0.000 0.866 392 T HN 0.069 nan 8.240 nan 0.000 0.427 393 V N 1.602 121.207 119.914 -0.516 0.000 2.324 393 V HA -0.167 3.952 4.120 -0.001 0.000 0.250 393 V C 2.826 178.592 176.094 -0.548 0.000 1.060 393 V CA 2.091 64.018 62.300 -0.622 0.000 1.042 393 V CB -1.390 29.861 31.823 -0.953 0.000 0.650 393 V HN 0.624 nan 8.190 nan 0.000 0.450 394 G N -0.197 108.321 108.800 -0.470 0.000 2.404 394 G HA2 -0.109 3.851 3.960 -0.001 0.000 0.215 394 G HA3 -0.109 3.851 3.960 -0.001 0.000 0.215 394 G C 1.624 176.352 174.900 -0.286 0.000 1.174 394 G CA 0.834 45.718 45.100 -0.361 0.000 0.780 394 G HN 0.588 nan 8.290 nan 0.000 0.537 395 G N 0.669 109.203 108.800 -0.444 0.000 2.408 395 G HA2 -0.111 3.848 3.960 -0.001 0.000 0.217 395 G HA3 -0.111 3.848 3.960 -0.001 0.000 0.217 395 G C 1.954 176.731 174.900 -0.204 0.000 1.150 395 G CA 1.912 46.798 45.100 -0.357 0.000 0.776 395 G HN 0.758 nan 8.290 nan 0.000 0.542 396 V N 0.110 119.892 119.914 -0.221 0.000 2.515 396 V HA -0.130 3.989 4.120 -0.001 0.000 0.250 396 V C 2.845 178.846 176.094 -0.155 0.000 1.058 396 V CA 2.527 64.723 62.300 -0.172 0.000 1.064 396 V CB -1.479 30.241 31.823 -0.172 0.000 0.675 396 V HN 0.439 nan 8.190 nan 0.000 0.461 397 T N -1.594 112.855 114.554 -0.175 0.000 2.951 397 T HA 0.064 4.413 4.350 -0.001 0.000 0.268 397 T C 2.040 176.582 174.700 -0.264 0.000 1.073 397 T CA 1.242 63.239 62.100 -0.170 0.000 1.134 397 T CB -0.851 67.830 68.868 -0.312 0.000 0.884 397 T HN 0.653 nan 8.240 nan 0.000 0.479 398 G N 2.263 110.853 108.800 -0.351 0.000 2.440 398 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.218 398 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.218 398 G C 1.437 176.186 174.900 -0.252 0.000 1.154 398 G CA 0.889 45.697 45.100 -0.486 0.000 0.767 398 G HN 0.442 nan 8.290 nan 0.000 0.552 399 I N 1.092 121.568 120.570 -0.156 0.000 2.163 399 I HA -0.146 4.024 4.170 -0.001 0.000 0.243 399 I C 3.045 179.113 176.117 -0.082 0.000 1.085 399 I CA 0.557 61.795 61.300 -0.103 0.000 1.347 399 I CB -1.383 36.569 38.000 -0.080 0.000 1.044 399 I HN 0.052 nan 8.210 nan 0.000 0.408 400 V N 1.038 120.915 119.914 -0.062 0.000 2.255 400 V HA -0.276 3.843 4.120 -0.001 0.000 0.247 400 V C 2.629 178.728 176.094 0.008 0.000 1.051 400 V CA 1.717 64.016 62.300 -0.003 0.000 1.018 400 V CB -0.743 31.120 31.823 0.066 0.000 0.641 400 V HN 0.333 nan 8.190 nan 0.000 0.445 401 L N 1.043 122.249 121.223 -0.027 0.000 2.191 401 L HA -0.150 4.189 4.340 -0.001 0.000 0.212 401 L C 2.668 179.545 176.870 0.011 0.000 1.103 401 L CA 1.631 56.466 54.840 -0.007 0.000 0.769 401 L CB -0.764 41.213 42.059 -0.137 0.000 0.908 401 L HN 0.567 nan 8.230 nan 0.000 0.438 402 S N -1.425 114.241 115.700 -0.057 0.000 2.419 402 S HA -0.129 4.340 4.470 -0.001 0.000 0.233 402 S C 1.093 175.706 174.600 0.021 0.000 1.016 402 S CA 0.435 58.639 58.200 0.008 0.000 0.974 402 S CB -0.329 62.837 63.200 -0.057 0.000 0.786 402 S HN 0.331 nan 8.310 nan 0.000 0.492 403 Q N 1.517 121.290 119.800 -0.045 0.000 2.359 403 Q HA 0.469 4.809 4.340 -0.001 0.000 0.249 403 Q C 1.276 177.151 176.000 -0.208 0.000 1.181 403 Q CA 0.421 56.156 55.803 -0.113 0.000 0.897 403 Q CB 0.354 29.043 28.738 -0.082 0.000 1.424 403 Q HN 0.500 nan 8.270 nan 0.000 0.478 404 A N 2.957 125.494 122.820 -0.472 0.000 1.948 404 A HA -0.266 4.053 4.320 -0.001 0.000 0.220 404 A C 2.111 179.481 177.584 -0.357 0.000 1.177 404 A CA 2.211 53.770 52.037 -0.795 0.000 0.636 404 A CB -0.332 17.948 19.000 -1.201 0.000 0.815 404 A HN 0.714 nan 8.150 nan 0.000 0.449 405 S N -0.818 114.739 115.700 -0.238 0.000 2.423 405 S HA -0.057 4.412 4.470 -0.001 0.000 0.231 405 S C 1.596 176.126 174.600 -0.117 0.000 1.014 405 S CA 1.332 59.443 58.200 -0.148 0.000 0.965 405 S CB -0.525 62.602 63.200 -0.121 0.000 0.785 405 S HN 0.283 nan 8.310 nan 0.000 0.495 406 V N 1.955 121.799 119.914 -0.116 0.000 2.599 406 V HA -0.006 4.113 4.120 -0.001 0.000 0.245 406 V C 2.389 178.445 176.094 -0.064 0.000 1.046 406 V CA 1.521 63.747 62.300 -0.124 0.000 1.065 406 V CB -0.859 30.909 31.823 -0.092 0.000 0.703 406 V HN 0.454 nan 8.190 nan 0.000 0.464 407 D N 0.392 120.808 120.400 0.027 0.000 2.221 407 D HA -0.237 4.403 4.640 -0.001 0.000 0.204 407 D C 2.174 178.555 176.300 0.134 0.000 0.982 407 D CA 1.046 55.136 54.000 0.151 0.000 0.857 407 D CB -0.031 40.907 40.800 0.229 0.000 0.934 407 D HN 0.172 nan 8.370 nan 0.000 0.475 408 R N -1.077 119.446 120.500 0.038 0.000 2.103 408 R HA -0.213 4.126 4.340 -0.001 0.000 0.242 408 R C 1.989 178.322 176.300 0.055 0.000 1.142 408 R CA 1.543 57.667 56.100 0.041 0.000 0.960 408 R CB -0.814 29.485 30.300 -0.003 0.000 0.858 408 R HN 0.382 nan 8.270 nan 0.000 0.439 409 Y N -1.268 118.950 120.300 -0.136 0.000 2.206 409 Y HA -0.135 4.415 4.550 -0.001 0.000 0.292 409 Y C 1.339 177.157 175.900 -0.136 0.000 1.123 409 Y CA 1.490 59.464 58.100 -0.210 0.000 1.142 409 Y CB -0.124 38.074 38.460 -0.437 0.000 1.006 409 Y HN 0.078 nan 8.280 nan 0.000 0.518 410 Y N -0.899 119.513 120.300 0.187 0.000 2.475 410 Y HA 0.002 4.552 4.550 -0.001 0.000 0.289 410 Y C 0.898 176.857 175.900 0.099 0.000 1.121 410 Y CA 0.619 58.786 58.100 0.112 0.000 1.257 410 Y CB -1.222 37.224 38.460 -0.024 0.000 1.026 410 Y HN 0.112 nan 8.280 nan 0.000 0.555 411 H N 1.467 120.646 119.070 0.182 0.000 3.001 411 H HA 0.012 4.567 4.556 -0.001 0.000 0.334 411 H C 0.578 175.959 175.328 0.088 0.000 1.034 411 H CA 0.474 56.601 56.048 0.131 0.000 1.420 411 H CB 0.045 29.872 29.762 0.109 0.000 1.405 411 H HN 0.190 nan 8.280 nan 0.000 0.593 412 D N 2.557 122.528 120.400 -0.715 0.000 2.772 412 D HA -0.194 4.445 4.640 -0.001 0.000 0.233 412 D C -0.451 175.724 176.300 -0.208 0.000 1.143 412 D CA 1.422 55.139 54.000 -0.472 0.000 0.700 412 D CB -0.856 39.685 40.800 -0.433 0.000 1.076 412 D HN 0.771 nan 8.370 nan 0.000 0.430 413 T N -4.255 110.236 114.554 -0.106 0.000 2.888 413 T HA 0.442 4.792 4.350 -0.001 0.000 0.288 413 T C 1.033 175.713 174.700 -0.032 0.000 1.063 413 T CA -0.739 61.341 62.100 -0.032 0.000 1.010 413 T CB 0.932 69.862 68.868 0.103 0.000 1.214 413 T HN -0.080 nan 8.240 nan 0.000 0.533 414 Y N -0.680 119.584 120.300 -0.060 0.000 2.574 414 Y HA 0.055 4.605 4.550 -0.001 0.000 0.294 414 Y C 2.054 177.887 175.900 -0.111 0.000 1.142 414 Y CA 0.760 58.801 58.100 -0.099 0.000 1.314 414 Y CB -0.465 37.900 38.460 -0.158 0.000 0.991 414 Y HN 0.822 nan 8.280 nan 0.000 0.555 415 Y N -0.783 119.491 120.300 -0.043 0.000 2.224 415 Y HA -0.257 4.292 4.550 -0.001 0.000 0.289 415 Y C 2.198 177.972 175.900 -0.209 0.000 1.146 415 Y CA 1.534 59.516 58.100 -0.197 0.000 1.182 415 Y CB -0.305 37.950 38.460 -0.342 0.000 0.983 415 Y HN -0.100 nan 8.280 nan 0.000 0.524 416 V N -1.192 118.753 119.914 0.051 0.000 2.358 416 V HA -0.293 3.827 4.120 -0.001 0.000 0.246 416 V C 2.275 178.284 176.094 -0.142 0.000 1.047 416 V CA 1.639 63.979 62.300 0.066 0.000 1.035 416 V CB -0.800 31.120 31.823 0.163 0.000 0.658 416 V HN 0.307 nan 8.190 nan 0.000 0.452 417 V N 0.582 120.288 119.914 -0.347 0.000 2.287 417 V HA -0.309 3.810 4.120 -0.001 0.000 0.248 417 V C 2.734 178.411 176.094 -0.694 0.000 1.053 417 V CA 2.186 64.029 62.300 -0.761 0.000 1.027 417 V CB -1.301 30.170 31.823 -0.587 0.000 0.646 417 V HN 0.563 nan 8.190 nan 0.000 0.447 418 A N -0.158 122.365 122.820 -0.496 0.000 1.877 418 A HA -0.315 4.005 4.320 -0.001 0.000 0.216 418 A C 2.134 179.438 177.584 -0.467 0.000 1.186 418 A CA 2.396 54.089 52.037 -0.572 0.000 0.620 418 A CB -0.929 17.364 19.000 -1.179 0.000 0.822 418 A HN 0.785 nan 8.150 nan 0.000 0.443 419 H N 0.029 118.781 119.070 -0.530 0.000 2.289 419 H HA -0.223 4.333 4.556 -0.001 0.000 0.296 419 H C 1.637 176.817 175.328 -0.247 0.000 1.091 419 H CA 2.662 58.502 56.048 -0.347 0.000 1.274 419 H CB -0.612 28.981 29.762 -0.282 0.000 1.364 419 H HN 0.616 nan 8.280 nan 0.000 0.490 420 F N -1.314 118.330 119.950 -0.510 0.000 2.416 420 F HA 0.130 4.656 4.527 -0.001 0.000 0.296 420 F C 1.971 177.386 175.800 -0.641 0.000 1.099 420 F CA 0.823 58.441 58.000 -0.636 0.000 1.427 420 F CB -0.989 37.767 39.000 -0.405 0.000 1.079 420 F HN 0.160 nan 8.300 nan 0.000 0.536 421 H N -1.140 117.440 119.070 -0.818 0.000 2.389 421 H HA -0.069 4.487 4.556 -0.001 0.000 0.299 421 H C 1.670 176.496 175.328 -0.837 0.000 1.081 421 H CA 2.509 57.974 56.048 -0.970 0.000 1.345 421 H CB -0.529 28.111 29.762 -1.869 0.000 1.393 421 H HN 0.316 nan 8.280 nan 0.000 0.520 422 Y N -0.942 119.007 120.300 -0.585 0.000 2.109 422 Y HA -0.205 4.344 4.550 -0.001 0.000 0.285 422 Y C 2.672 178.317 175.900 -0.426 0.000 1.131 422 Y CA 1.334 59.163 58.100 -0.451 0.000 1.121 422 Y CB -0.365 37.864 38.460 -0.385 0.000 0.987 422 Y HN 0.052 nan 8.280 nan 0.000 0.495 423 V N -0.365 119.356 119.914 -0.321 0.000 2.591 423 V HA -0.192 3.927 4.120 -0.001 0.000 0.249 423 V C 1.779 177.764 176.094 -0.181 0.000 1.053 423 V CA 1.694 63.781 62.300 -0.354 0.000 1.068 423 V CB 0.145 31.624 31.823 -0.574 0.000 0.689 423 V HN 0.469 nan 8.190 nan 0.000 0.462 424 M N -1.688 117.759 119.600 -0.255 0.000 3.058 424 M HA 0.054 4.534 4.480 -0.001 0.000 0.242 424 M C 2.283 178.457 176.300 -0.210 0.000 1.512 424 M CA 1.648 56.819 55.300 -0.215 0.000 1.274 424 M CB 0.245 32.674 32.600 -0.286 0.000 1.179 424 M HN 0.338 nan 8.290 nan 0.000 0.573 425 S N 2.002 117.530 115.700 -0.286 0.000 2.344 425 S HA -0.097 4.373 4.470 -0.001 0.000 0.217 425 S C 1.953 176.466 174.600 -0.145 0.000 1.033 425 S CA 1.545 59.591 58.200 -0.257 0.000 1.017 425 S CB -0.776 62.215 63.200 -0.350 0.000 0.941 425 S HN 0.494 nan 8.310 nan 0.000 0.430 426 L N 1.229 122.338 121.223 -0.190 0.000 2.083 426 L HA -0.046 4.293 4.340 -0.001 0.000 0.209 426 L C 2.817 179.692 176.870 0.009 0.000 1.083 426 L CA 1.084 55.874 54.840 -0.083 0.000 0.752 426 L CB -1.367 40.508 42.059 -0.307 0.000 0.899 426 L HN 0.454 nan 8.230 nan 0.000 0.433 427 G N 0.095 108.859 108.800 -0.059 0.000 2.491 427 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.218 427 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.218 427 G C 1.783 176.872 174.900 0.315 0.000 1.180 427 G CA 1.031 46.179 45.100 0.080 0.000 0.774 427 G HN 0.469 nan 8.290 nan 0.000 0.562 428 A N -0.136 122.758 122.820 0.123 0.000 1.883 428 A HA 0.035 4.355 4.320 -0.001 0.000 0.217 428 A C 2.643 180.249 177.584 0.037 0.000 1.186 428 A CA 2.071 54.144 52.037 0.059 0.000 0.624 428 A CB -0.808 18.158 19.000 -0.057 0.000 0.822 428 A HN 0.307 nan 8.150 nan 0.000 0.444 429 V N -1.299 118.627 119.914 0.021 0.000 2.343 429 V HA -0.224 3.895 4.120 -0.001 0.000 0.247 429 V C 2.332 178.347 176.094 -0.132 0.000 1.051 429 V CA 2.023 64.241 62.300 -0.137 0.000 1.036 429 V CB -0.911 30.875 31.823 -0.062 0.000 0.654 429 V HN 0.540 nan 8.190 nan 0.000 0.451 430 F N 1.307 121.273 119.950 0.026 0.000 2.186 430 F HA -0.003 4.524 4.527 -0.001 0.000 0.299 430 F C 2.383 178.237 175.800 0.091 0.000 1.090 430 F CA 1.288 59.419 58.000 0.219 0.000 1.307 430 F CB -1.343 37.952 39.000 0.491 0.000 1.019 430 F HN 0.192 nan 8.300 nan 0.000 0.489 431 G N 0.101 109.049 108.800 0.247 0.000 2.418 431 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.217 431 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.217 431 G C 1.843 176.704 174.900 -0.066 0.000 1.158 431 G CA 1.018 46.120 45.100 0.004 0.000 0.771 431 G HN 0.358 nan 8.290 nan 0.000 0.545 432 I N -0.291 120.232 120.570 -0.078 0.000 2.202 432 I HA -0.081 4.089 4.170 -0.001 0.000 0.242 432 I C 2.390 178.424 176.117 -0.139 0.000 1.091 432 I CA 0.723 61.991 61.300 -0.053 0.000 1.368 432 I CB -0.223 37.663 38.000 -0.188 0.000 1.058 432 I HN 0.027 nan 8.210 nan 0.000 0.410 433 F N 1.113 120.822 119.950 -0.401 0.000 2.171 433 F HA -0.150 4.376 4.527 -0.001 0.000 0.300 433 F C 2.591 178.058 175.800 -0.554 0.000 1.090 433 F CA 0.869 58.405 58.000 -0.774 0.000 1.293 433 F CB -1.339 36.465 39.000 -1.993 0.000 1.013 433 F HN 0.008 nan 8.300 nan 0.000 0.486 434 A N 0.522 123.210 122.820 -0.220 0.000 1.851 434 A HA -0.132 4.188 4.320 -0.001 0.000 0.216 434 A C 2.678 180.179 177.584 -0.139 0.000 1.195 434 A CA 2.142 54.127 52.037 -0.088 0.000 0.622 434 A CB -1.598 17.309 19.000 -0.154 0.000 0.831 434 A HN 0.392 nan 8.150 nan 0.000 0.444 435 G N -0.169 108.446 108.800 -0.308 0.000 2.513 435 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.219 435 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.219 435 G C 1.561 176.426 174.900 -0.059 0.000 1.160 435 G CA 1.294 46.044 45.100 -0.584 0.000 0.767 435 G HN 0.486 nan 8.290 nan 0.000 0.571 436 I N -0.778 119.938 120.570 0.244 0.000 2.127 436 I HA -0.200 3.970 4.170 -0.001 0.000 0.241 436 I C 2.531 178.783 176.117 0.226 0.000 1.075 436 I CA 1.218 62.734 61.300 0.360 0.000 1.334 436 I CB -0.225 37.935 38.000 0.267 0.000 1.040 436 I HN 0.166 nan 8.210 nan 0.000 0.405 437 Y N -0.890 119.548 120.300 0.229 0.000 2.314 437 Y HA -0.238 4.311 4.550 -0.001 0.000 0.293 437 Y C 2.241 178.501 175.900 0.600 0.000 1.129 437 Y CA 1.289 59.517 58.100 0.213 0.000 1.201 437 Y CB -0.498 37.933 38.460 -0.048 0.000 0.999 437 Y HN 0.083 nan 8.280 nan 0.000 0.541 438 F N -1.108 119.072 119.950 0.383 0.000 2.134 438 F HA -0.245 4.281 4.527 -0.001 0.000 0.299 438 F C 1.340 177.580 175.800 0.733 0.000 1.097 438 F CA 1.554 59.778 58.000 0.373 0.000 1.264 438 F CB -0.292 38.472 39.000 -0.393 0.000 1.001 438 F HN 0.068 nan 8.300 nan 0.000 0.479 439 W N -0.856 120.744 121.300 0.501 0.000 3.008 439 W HA 0.260 4.919 4.660 -0.001 0.000 0.355 439 W C 1.909 178.622 176.519 0.324 0.000 1.095 439 W CA -0.464 57.054 57.345 0.289 0.000 1.738 439 W CB -0.647 28.834 29.460 0.036 0.000 1.091 439 W HN 0.013 nan 8.180 nan 0.000 0.574 440 I N 0.348 121.238 120.570 0.533 0.000 2.286 440 I HA -0.148 4.021 4.170 -0.001 0.000 0.248 440 I C 2.305 178.555 176.117 0.223 0.000 1.115 440 I CA 2.031 63.518 61.300 0.311 0.000 1.392 440 I CB -0.461 37.666 38.000 0.212 0.000 1.065 440 I HN -0.080 nan 8.210 nan 0.000 0.418 441 G N 0.569 109.497 108.800 0.213 0.000 2.418 441 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.217 441 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.217 441 G C 1.638 176.617 174.900 0.130 0.000 1.158 441 G CA 1.033 46.057 45.100 -0.126 0.000 0.771 441 G HN 0.261 nan 8.290 nan 0.000 0.545 442 K N 0.254 120.927 120.400 0.455 0.000 2.097 442 K HA 0.099 4.418 4.320 -0.001 0.000 0.206 442 K C 2.406 179.116 176.600 0.184 0.000 1.049 442 K CA 1.202 57.696 56.287 0.346 0.000 0.933 442 K CB -0.331 32.310 32.500 0.234 0.000 0.717 442 K HN 0.369 nan 8.250 nan 0.000 0.442 443 M N -0.631 119.049 119.600 0.135 0.000 2.394 443 M HA -0.003 4.476 4.480 -0.001 0.000 0.266 443 M C 1.673 178.031 176.300 0.098 0.000 1.098 443 M CA 1.321 56.637 55.300 0.027 0.000 1.149 443 M CB 0.229 32.738 32.600 -0.151 0.000 1.369 443 M HN 0.274 nan 8.290 nan 0.000 0.450 444 S N -1.640 114.110 115.700 0.083 0.000 2.520 444 S HA 0.322 4.792 4.470 -0.001 0.000 0.219 444 S C 1.517 176.134 174.600 0.028 0.000 1.028 444 S CA 0.424 58.662 58.200 0.063 0.000 0.921 444 S CB 0.562 63.788 63.200 0.044 0.000 0.844 444 S HN 0.566 nan 8.310 nan 0.000 0.495 445 G N 1.467 110.278 108.800 0.018 0.000 2.168 445 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.263 445 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.263 445 G C 0.079 174.938 174.900 -0.068 0.000 0.977 445 G CA 0.398 45.487 45.100 -0.017 0.000 0.659 445 G HN 0.648 nan 8.290 nan 0.000 0.533 446 R N -0.867 119.586 120.500 -0.078 0.000 2.854 446 R HA 0.683 5.022 4.340 -0.001 0.000 0.271 446 R C -0.586 175.636 176.300 -0.131 0.000 0.994 446 R CA -0.893 55.141 56.100 -0.110 0.000 0.945 446 R CB 1.411 31.651 30.300 -0.101 0.000 1.194 446 R HN 0.159 nan 8.270 nan 0.000 0.476 447 Q N 1.319 121.028 119.800 -0.152 0.000 2.342 447 Q HA 0.247 4.586 4.340 -0.001 0.000 0.267 447 Q C -1.485 174.481 176.000 -0.056 0.000 1.038 447 Q CA -0.844 54.844 55.803 -0.190 0.000 0.832 447 Q CB 1.127 29.651 28.738 -0.357 0.000 1.323 447 Q HN 0.496 nan 8.270 nan 0.000 0.448 448 Y N 1.856 122.199 120.300 0.071 0.000 2.397 448 Y HA 0.594 5.143 4.550 -0.001 0.000 0.335 448 Y C -2.138 173.848 175.900 0.143 0.000 1.213 448 Y CA -2.486 55.697 58.100 0.139 0.000 1.391 448 Y CB -0.221 38.385 38.460 0.243 0.000 1.293 448 Y HN 0.456 nan 8.280 nan 0.000 0.557 449 P HA 0.011 nan 4.420 nan 0.000 0.271 449 P C -0.027 177.352 177.300 0.131 0.000 1.226 449 P CA 0.055 63.206 63.100 0.085 0.000 0.765 449 P CB 1.621 33.297 31.700 -0.040 0.000 0.835 450 E N 5.059 125.345 120.200 0.143 0.000 2.051 450 E HA -0.174 4.175 4.350 -0.001 0.000 0.192 450 E C 1.689 178.436 176.600 0.245 0.000 0.991 450 E CA 1.542 58.112 56.400 0.284 0.000 0.799 450 E CB -0.718 29.111 29.700 0.215 0.000 0.748 450 E HN 0.633 nan 8.360 nan 0.000 0.449 451 W N 0.264 121.683 121.300 0.198 0.000 2.331 451 W HA -0.163 4.496 4.660 -0.001 0.000 0.291 451 W C 1.605 178.268 176.519 0.240 0.000 1.214 451 W CA 1.347 58.797 57.345 0.175 0.000 1.228 451 W CB -0.930 28.607 29.460 0.128 0.000 1.135 451 W HN 0.187 nan 8.180 nan 0.000 0.537 452 A N 1.652 123.983 122.820 -0.816 0.000 1.984 452 A HA 0.213 4.533 4.320 -0.001 0.000 0.214 452 A C 2.372 179.944 177.584 -0.020 0.000 1.173 452 A CA 1.398 52.978 52.037 -0.761 0.000 0.673 452 A CB -1.349 16.894 19.000 -1.262 0.000 0.830 452 A HN 0.344 nan 8.150 nan 0.000 0.453 453 G N 0.208 109.018 108.800 0.017 0.000 2.422 453 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.218 453 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.218 453 G C 1.659 176.451 174.900 -0.180 0.000 1.146 453 G CA 1.141 46.138 45.100 -0.171 0.000 0.769 453 G HN 0.553 nan 8.290 nan 0.000 0.547 454 K N -0.671 119.707 120.400 -0.037 0.000 2.116 454 K HA 0.127 4.447 4.320 -0.001 0.000 0.203 454 K C 2.317 179.027 176.600 0.184 0.000 1.052 454 K CA 0.486 56.775 56.287 0.003 0.000 0.952 454 K CB -0.202 32.376 32.500 0.130 0.000 0.729 454 K HN 0.243 nan 8.250 nan 0.000 0.446 455 L N 1.168 122.528 121.223 0.229 0.000 2.017 455 L HA -0.196 4.143 4.340 -0.001 0.000 0.208 455 L C 2.331 179.295 176.870 0.155 0.000 1.073 455 L CA 1.848 56.811 54.840 0.203 0.000 0.745 455 L CB -0.726 41.409 42.059 0.128 0.000 0.894 455 L HN 0.297 nan 8.230 nan 0.000 0.432 456 H N -1.559 117.603 119.070 0.153 0.000 2.289 456 H HA -0.320 4.235 4.556 -0.001 0.000 0.294 456 H C 2.190 177.539 175.328 0.036 0.000 1.095 456 H CA 2.268 58.445 56.048 0.214 0.000 1.256 456 H CB -0.329 29.666 29.762 0.389 0.000 1.359 456 H HN 0.451 nan 8.280 nan 0.000 0.487 457 F N 0.467 120.101 119.950 -0.526 0.000 2.065 457 F HA -0.266 4.261 4.527 -0.001 0.000 0.298 457 F C 1.997 177.375 175.800 -0.704 0.000 1.112 457 F CA 2.112 59.371 58.000 -1.236 0.000 1.212 457 F CB -0.817 37.174 39.000 -1.681 0.000 0.975 457 F HN 0.205 nan 8.300 nan 0.000 0.476 458 W N 0.079 121.239 121.300 -0.233 0.000 2.388 458 W HA -0.131 4.528 4.660 -0.001 0.000 0.294 458 W C 2.507 178.957 176.519 -0.116 0.000 1.212 458 W CA 0.995 58.238 57.345 -0.170 0.000 1.271 458 W CB -0.414 29.049 29.460 0.006 0.000 1.126 458 W HN 0.023 nan 8.180 nan 0.000 0.535 459 M N -0.938 118.737 119.600 0.124 0.000 2.117 459 M HA -0.222 4.257 4.480 -0.001 0.000 0.262 459 M C 2.227 178.587 176.300 0.100 0.000 1.065 459 M CA 1.556 56.920 55.300 0.107 0.000 1.114 459 M CB -0.578 32.075 32.600 0.088 0.000 1.361 459 M HN 0.037 nan 8.290 nan 0.000 0.408 460 M N -0.055 119.579 119.600 0.056 0.000 2.156 460 M HA -0.120 4.360 4.480 -0.001 0.000 0.264 460 M C 1.869 178.242 176.300 0.122 0.000 1.067 460 M CA 1.762 57.136 55.300 0.123 0.000 1.131 460 M CB -0.545 32.151 32.600 0.160 0.000 1.368 460 M HN 0.182 nan 8.290 nan 0.000 0.416 461 F N -0.467 119.322 119.950 -0.268 0.000 2.102 461 F HA -0.185 4.342 4.527 -0.001 0.000 0.298 461 F C 1.830 177.626 175.800 -0.007 0.000 1.105 461 F CA 1.724 59.610 58.000 -0.189 0.000 1.239 461 F CB -0.219 38.341 39.000 -0.735 0.000 0.991 461 F HN -0.029 nan 8.300 nan 0.000 0.474 462 V N 0.108 120.070 119.914 0.080 0.000 2.307 462 V HA -0.217 3.903 4.120 -0.001 0.000 0.245 462 V C 2.734 178.820 176.094 -0.012 0.000 1.045 462 V CA 1.922 64.246 62.300 0.041 0.000 1.024 462 V CB -1.575 30.326 31.823 0.130 0.000 0.651 462 V HN 0.534 nan 8.190 nan 0.000 0.449 463 G N -0.267 108.550 108.800 0.028 0.000 2.446 463 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.217 463 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.217 463 G C 1.753 176.629 174.900 -0.039 0.000 1.168 463 G CA 1.167 46.276 45.100 0.015 0.000 0.771 463 G HN 0.615 nan 8.290 nan 0.000 0.551 464 A N 0.838 123.660 122.820 0.002 0.000 1.930 464 A HA -0.041 4.278 4.320 -0.001 0.000 0.217 464 A C 2.276 179.806 177.584 -0.090 0.000 1.175 464 A CA 1.660 53.704 52.037 0.011 0.000 0.627 464 A CB -0.370 18.707 19.000 0.129 0.000 0.815 464 A HN 0.367 nan 8.150 nan 0.000 0.443 465 N N 0.055 118.671 118.700 -0.140 0.000 2.142 465 N HA -0.051 4.689 4.740 -0.001 0.000 0.186 465 N C 1.694 177.207 175.510 0.005 0.000 1.023 465 N CA 1.170 54.194 53.050 -0.044 0.000 0.852 465 N CB -0.318 38.103 38.487 -0.110 0.000 0.998 465 N HN 0.469 nan 8.380 nan 0.000 0.424 466 L N 0.846 122.038 121.223 -0.053 0.000 2.131 466 L HA -0.128 4.211 4.340 -0.001 0.000 0.210 466 L C 2.178 178.958 176.870 -0.150 0.000 1.092 466 L CA 0.965 55.779 54.840 -0.043 0.000 0.759 466 L CB -0.520 41.516 42.059 -0.039 0.000 0.903 466 L HN 0.157 nan 8.230 nan 0.000 0.435 467 T N -0.726 113.637 114.554 -0.318 0.000 2.732 467 T HA -0.097 4.252 4.350 -0.001 0.000 0.261 467 T C 1.396 175.674 174.700 -0.704 0.000 1.040 467 T CA 1.441 63.145 62.100 -0.659 0.000 1.145 467 T CB -0.181 68.022 68.868 -1.107 0.000 0.866 467 T HN 0.130 nan 8.240 nan 0.000 0.427 468 F N -0.685 119.124 119.950 -0.234 0.000 2.622 468 F HA 0.394 4.921 4.527 -0.001 0.000 0.288 468 F C 1.710 177.419 175.800 -0.150 0.000 1.120 468 F CA -1.034 56.790 58.000 -0.293 0.000 1.423 468 F CB -0.537 38.149 39.000 -0.522 0.000 1.127 468 F HN 0.037 nan 8.300 nan 0.000 0.588 469 F N 2.378 122.374 119.950 0.077 0.000 2.102 469 F HA -0.071 4.455 4.527 -0.001 0.000 0.298 469 F C -0.733 174.806 175.800 -0.435 0.000 1.105 469 F CA 1.386 59.393 58.000 0.012 0.000 1.239 469 F CB -1.458 37.541 39.000 -0.002 0.000 0.991 469 F HN -0.137 nan 8.300 nan 0.000 0.474 470 P HA -0.173 nan 4.420 nan 0.000 0.225 470 P C 0.977 178.013 177.300 -0.440 0.000 1.148 470 P CA 1.463 64.235 63.100 -0.545 0.000 0.779 470 P CB -0.197 31.540 31.700 0.061 0.000 0.780 471 Q N -1.710 117.866 119.800 -0.374 0.000 2.291 471 Q HA -0.172 4.167 4.340 -0.001 0.000 0.205 471 Q C 1.707 177.517 176.000 -0.316 0.000 0.970 471 Q CA 1.038 56.679 55.803 -0.271 0.000 0.876 471 Q CB -0.639 28.015 28.738 -0.141 0.000 0.935 471 Q HN 0.532 nan 8.270 nan 0.000 0.455 472 H N -0.684 118.080 119.070 -0.510 0.000 2.353 472 H HA -0.133 4.422 4.556 -0.001 0.000 0.300 472 H C 1.444 176.710 175.328 -0.105 0.000 1.090 472 H CA 1.455 57.223 56.048 -0.467 0.000 1.327 472 H CB 0.028 29.256 29.762 -0.890 0.000 1.383 472 H HN 0.187 nan 8.280 nan 0.000 0.508 473 F N 0.420 120.318 119.950 -0.086 0.000 2.102 473 F HA -0.130 4.396 4.527 -0.001 0.000 0.298 473 F C 2.229 178.104 175.800 0.124 0.000 1.105 473 F CA 0.861 58.822 58.000 -0.066 0.000 1.239 473 F CB -1.055 37.685 39.000 -0.432 0.000 0.991 473 F HN 0.088 nan 8.300 nan 0.000 0.474 474 L N -0.341 121.052 121.223 0.282 0.000 2.042 474 L HA -0.156 4.183 4.340 -0.001 0.000 0.210 474 L C 2.777 179.776 176.870 0.216 0.000 1.076 474 L CA 1.512 56.481 54.840 0.215 0.000 0.749 474 L CB -1.501 40.505 42.059 -0.089 0.000 0.893 474 L HN 0.270 nan 8.230 nan 0.000 0.432 475 G N -0.137 108.813 108.800 0.251 0.000 2.421 475 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.216 475 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.216 475 G C 1.715 176.931 174.900 0.526 0.000 1.171 475 G CA 0.491 45.810 45.100 0.364 0.000 0.775 475 G HN 0.287 nan 8.290 nan 0.000 0.543 476 R N -0.221 120.597 120.500 0.530 0.000 2.152 476 R HA -0.006 4.333 4.340 -0.001 0.000 0.232 476 R C 2.485 179.064 176.300 0.465 0.000 1.117 476 R CA 1.070 57.465 56.100 0.491 0.000 0.981 476 R CB -0.093 30.416 30.300 0.348 0.000 0.870 476 R HN 0.287 nan 8.270 nan 0.000 0.451 477 Q N -0.728 119.347 119.800 0.459 0.000 2.425 477 Q HA 0.070 4.409 4.340 -0.001 0.000 0.204 477 Q C 0.790 177.119 176.000 0.548 0.000 0.933 477 Q CA 0.925 57.008 55.803 0.467 0.000 0.939 477 Q CB 1.321 30.349 28.738 0.482 0.000 1.044 477 Q HN 0.596 nan 8.270 nan 0.000 0.513 478 G N 1.360 110.423 108.800 0.439 0.000 2.138 478 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.193 478 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.193 478 G C 0.030 174.975 174.900 0.076 0.000 0.998 478 G CA 0.168 45.393 45.100 0.208 0.000 0.668 478 G HN 0.310 nan 8.290 nan 0.000 0.516 479 M N 1.731 121.221 119.600 -0.185 0.000 2.251 479 M HA 0.391 4.870 4.480 -0.001 0.000 0.346 479 M C -2.051 174.059 176.300 -0.316 0.000 1.499 479 M CA -1.471 53.420 55.300 -0.682 0.000 1.128 479 M CB 0.683 32.580 32.600 -1.171 0.000 1.809 479 M HN 0.004 nan 8.290 nan 0.000 0.464 480 P HA 0.186 nan 4.420 nan 0.000 0.274 480 P C -1.103 175.985 177.300 -0.353 0.000 1.237 480 P CA -0.178 62.620 63.100 -0.504 0.000 0.793 480 P CB 0.512 31.633 31.700 -0.965 0.000 0.977 481 R N 1.240 121.590 120.500 -0.249 0.000 2.679 481 R HA 0.287 4.626 4.340 -0.001 0.000 0.269 481 R C 0.498 176.839 176.300 0.067 0.000 1.076 481 R CA -0.225 55.777 56.100 -0.164 0.000 1.160 481 R CB 0.028 30.238 30.300 -0.149 0.000 1.054 481 R HN 0.449 nan 8.270 nan 0.000 0.507 482 R N -0.251 120.415 120.500 0.278 0.000 3.654 482 R HA -0.184 4.156 4.340 -0.001 0.000 0.302 482 R C -1.212 175.452 176.300 0.606 0.000 1.166 482 R CA 0.564 56.962 56.100 0.497 0.000 0.810 482 R CB -1.673 28.822 30.300 0.324 0.000 1.323 482 R HN 0.413 nan 8.270 nan 0.000 0.478 483 Y N 0.057 120.422 120.300 0.108 0.000 2.328 483 Y HA 0.260 4.809 4.550 -0.001 0.000 0.337 483 Y C 1.519 176.868 175.900 -0.919 0.000 1.008 483 Y CA -1.577 56.389 58.100 -0.223 0.000 1.129 483 Y CB 0.943 39.351 38.460 -0.087 0.000 1.185 483 Y HN 0.081 nan 8.280 nan 0.000 0.476 484 I N 1.037 121.052 120.570 -0.925 0.000 2.394 484 I HA -0.164 4.006 4.170 -0.001 0.000 0.251 484 I C 0.037 175.792 176.117 -0.604 0.000 1.136 484 I CA 1.643 62.304 61.300 -1.066 0.000 1.425 484 I CB 0.316 38.072 38.000 -0.406 0.000 1.079 484 I HN 0.579 nan 8.210 nan 0.000 0.425 485 D N -1.770 118.425 120.400 -0.341 0.000 2.570 485 D HA 0.386 5.025 4.640 -0.001 0.000 0.244 485 D C -1.595 174.700 176.300 -0.008 0.000 1.178 485 D CA -0.359 53.495 54.000 -0.244 0.000 0.881 485 D CB 1.552 42.203 40.800 -0.248 0.000 1.453 485 D HN 0.103 nan 8.370 nan 0.000 0.447 486 Y N -1.965 118.348 120.300 0.022 0.000 2.571 486 Y HA 0.691 5.240 4.550 -0.001 0.000 0.341 486 Y C -2.785 173.241 175.900 0.209 0.000 1.076 486 Y CA -2.441 55.755 58.100 0.159 0.000 1.029 486 Y CB 0.243 38.768 38.460 0.107 0.000 1.308 486 Y HN 0.089 nan 8.280 nan 0.000 0.461 487 P HA -0.027 nan 4.420 nan 0.000 0.263 487 P C 0.650 178.135 177.300 0.308 0.000 1.175 487 P CA 0.459 63.742 63.100 0.304 0.000 0.761 487 P CB 0.949 32.803 31.700 0.255 0.000 0.794 488 E N 4.063 124.328 120.200 0.108 0.000 2.169 488 E HA -0.283 4.066 4.350 -0.001 0.000 0.202 488 E C 1.739 178.386 176.600 0.078 0.000 1.016 488 E CA 2.180 58.626 56.400 0.076 0.000 0.817 488 E CB -0.784 28.916 29.700 -0.000 0.000 0.736 488 E HN 0.481 nan 8.360 nan 0.000 0.462 489 A N -0.759 122.031 122.820 -0.049 0.000 2.125 489 A HA -0.085 4.234 4.320 -0.001 0.000 0.219 489 A C 1.540 179.032 177.584 -0.154 0.000 1.156 489 A CA 1.069 53.007 52.037 -0.165 0.000 0.671 489 A CB -0.696 18.124 19.000 -0.301 0.000 0.794 489 A HN 0.354 nan 8.150 nan 0.000 0.459 490 F N -0.589 119.438 119.950 0.128 0.000 2.797 490 F HA 0.272 4.799 4.527 -0.001 0.000 0.302 490 F C 2.310 178.088 175.800 -0.038 0.000 1.130 490 F CA -0.090 57.917 58.000 0.011 0.000 1.387 490 F CB -0.409 38.495 39.000 -0.160 0.000 1.107 490 F HN 0.245 nan 8.300 nan 0.000 0.577 491 A N 0.028 123.016 122.820 0.280 0.000 1.883 491 A HA -0.197 4.123 4.320 -0.001 0.000 0.217 491 A C 2.352 179.989 177.584 0.088 0.000 1.186 491 A CA 2.456 54.649 52.037 0.260 0.000 0.624 491 A CB -1.200 17.906 19.000 0.176 0.000 0.822 491 A HN 0.307 nan 8.150 nan 0.000 0.444 492 T N -1.069 113.440 114.554 -0.075 0.000 2.607 492 T HA -0.245 4.105 4.350 -0.001 0.000 0.267 492 T C 1.535 176.116 174.700 -0.198 0.000 1.049 492 T CA 1.819 63.754 62.100 -0.275 0.000 1.162 492 T CB -0.457 68.043 68.868 -0.613 0.000 0.863 492 T HN 0.754 nan 8.240 nan 0.000 0.424 493 W N 1.645 123.022 121.300 0.128 0.000 2.519 493 W HA 0.097 4.756 4.660 -0.001 0.000 0.266 493 W C 2.477 178.996 176.519 0.000 0.000 1.253 493 W CA -0.407 57.014 57.345 0.127 0.000 1.274 493 W CB -0.319 29.278 29.460 0.228 0.000 1.114 493 W HN 0.212 nan 8.180 nan 0.000 0.596 494 N N 0.203 118.963 118.700 0.099 0.000 2.188 494 N HA -0.168 4.571 4.740 -0.001 0.000 0.184 494 N C 1.516 177.046 175.510 0.033 0.000 1.018 494 N CA 1.271 54.280 53.050 -0.069 0.000 0.858 494 N CB -0.624 37.707 38.487 -0.260 0.000 0.989 494 N HN 0.150 nan 8.380 nan 0.000 0.426 495 F N 2.029 121.969 119.950 -0.016 0.000 2.113 495 F HA -0.144 4.383 4.527 -0.001 0.000 0.297 495 F C 2.225 178.008 175.800 -0.028 0.000 1.103 495 F CA 0.981 58.976 58.000 -0.010 0.000 1.248 495 F CB -0.401 38.595 39.000 -0.007 0.000 0.999 495 F HN -0.255 nan 8.300 nan 0.000 0.475 496 V N -0.560 119.421 119.914 0.111 0.000 2.295 496 V HA -0.312 3.808 4.120 -0.001 0.000 0.246 496 V C 2.647 178.681 176.094 -0.099 0.000 1.049 496 V CA 2.034 64.369 62.300 0.059 0.000 1.024 496 V CB -1.263 30.771 31.823 0.351 0.000 0.648 496 V HN 0.512 nan 8.190 nan 0.000 0.447 497 S N -0.331 115.316 115.700 -0.089 0.000 2.374 497 S HA -0.252 4.217 4.470 -0.001 0.000 0.227 497 S C 2.234 176.570 174.600 -0.439 0.000 1.037 497 S CA 2.288 60.331 58.200 -0.262 0.000 1.024 497 S CB -0.354 62.687 63.200 -0.265 0.000 0.861 497 S HN 0.620 nan 8.310 nan 0.000 0.456 498 S N 1.343 116.753 115.700 -0.484 0.000 2.368 498 S HA 0.054 4.524 4.470 -0.001 0.000 0.225 498 S C 1.806 175.693 174.600 -1.189 0.000 1.030 498 S CA 1.313 59.020 58.200 -0.822 0.000 0.999 498 S CB -0.496 62.334 63.200 -0.616 0.000 0.844 498 S HN 0.475 nan 8.310 nan 0.000 0.459 499 L N 0.977 121.760 121.223 -0.733 0.000 2.012 499 L HA -0.137 4.203 4.340 -0.001 0.000 0.210 499 L C 2.815 179.511 176.870 -0.290 0.000 1.073 499 L CA 1.435 56.024 54.840 -0.419 0.000 0.748 499 L CB -1.511 40.355 42.059 -0.321 0.000 0.891 499 L HN 0.432 nan 8.230 nan 0.000 0.431 500 G N -0.119 108.506 108.800 -0.291 0.000 2.513 500 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.219 500 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.219 500 G C 1.726 176.482 174.900 -0.241 0.000 1.160 500 G CA 1.075 46.039 45.100 -0.227 0.000 0.767 500 G HN 0.508 nan 8.290 nan 0.000 0.571 501 A N 0.015 122.586 122.820 -0.415 0.000 1.969 501 A HA 0.196 4.515 4.320 -0.001 0.000 0.218 501 A C 2.132 179.688 177.584 -0.047 0.000 1.169 501 A CA 1.420 53.261 52.037 -0.326 0.000 0.635 501 A CB -0.401 18.309 19.000 -0.483 0.000 0.810 501 A HN 0.274 nan 8.150 nan 0.000 0.445 502 F N -0.703 119.234 119.950 -0.022 0.000 2.163 502 F HA -0.021 4.506 4.527 -0.001 0.000 0.297 502 F C 1.981 177.861 175.800 0.134 0.000 1.094 502 F CA 0.636 58.676 58.000 0.066 0.000 1.290 502 F CB -1.110 37.892 39.000 0.004 0.000 1.017 502 F HN 0.256 nan 8.300 nan 0.000 0.483 503 L N -0.174 121.188 121.223 0.231 0.000 2.046 503 L HA -0.151 4.189 4.340 -0.001 0.000 0.208 503 L C 2.298 179.287 176.870 0.199 0.000 1.077 503 L CA 1.732 56.677 54.840 0.176 0.000 0.747 503 L CB -1.160 40.959 42.059 0.101 0.000 0.896 503 L HN -0.013 nan 8.230 nan 0.000 0.432 504 S N -0.688 115.123 115.700 0.186 0.000 2.382 504 S HA -0.183 4.286 4.470 -0.001 0.000 0.228 504 S C 1.777 176.592 174.600 0.358 0.000 1.027 504 S CA 1.528 59.870 58.200 0.237 0.000 0.991 504 S CB -0.653 62.648 63.200 0.169 0.000 0.823 504 S HN 0.553 nan 8.310 nan 0.000 0.469 505 F N 2.585 122.664 119.950 0.214 0.000 2.146 505 F HA 0.012 4.538 4.527 -0.001 0.000 0.298 505 F C 2.329 178.314 175.800 0.308 0.000 1.096 505 F CA 0.706 58.868 58.000 0.270 0.000 1.275 505 F CB -0.878 38.264 39.000 0.237 0.000 1.008 505 F HN 0.165 nan 8.300 nan 0.000 0.480 506 A N -0.160 122.788 122.820 0.214 0.000 1.908 506 A HA -0.238 4.081 4.320 -0.001 0.000 0.218 506 A C 2.420 180.094 177.584 0.150 0.000 1.181 506 A CA 2.342 54.444 52.037 0.108 0.000 0.627 506 A CB -1.512 17.579 19.000 0.152 0.000 0.818 506 A HN 0.523 nan 8.150 nan 0.000 0.445 507 S N -1.513 114.324 115.700 0.229 0.000 2.399 507 S HA -0.174 4.295 4.470 -0.001 0.000 0.231 507 S C 1.792 176.610 174.600 0.364 0.000 1.022 507 S CA 1.577 59.968 58.200 0.318 0.000 0.983 507 S CB -0.599 62.816 63.200 0.357 0.000 0.803 507 S HN 0.515 nan 8.310 nan 0.000 0.480 508 F N 1.760 121.809 119.950 0.164 0.000 2.293 508 F HA 0.348 4.874 4.527 -0.001 0.000 0.297 508 F C 1.826 177.681 175.800 0.092 0.000 1.089 508 F CA 0.501 58.601 58.000 0.167 0.000 1.377 508 F CB -0.192 38.935 39.000 0.213 0.000 1.051 508 F HN 0.158 nan 8.300 nan 0.000 0.511 509 L N -1.369 119.809 121.223 -0.075 0.000 2.072 509 L HA -0.170 4.169 4.340 -0.001 0.000 0.205 509 L C 2.345 179.164 176.870 -0.085 0.000 1.079 509 L CA 1.120 55.854 54.840 -0.177 0.000 0.752 509 L CB -0.880 41.038 42.059 -0.234 0.000 0.906 509 L HN 0.151 nan 8.230 nan 0.000 0.436 510 F N 0.713 120.597 119.950 -0.110 0.000 2.095 510 F HA -0.328 4.199 4.527 -0.001 0.000 0.298 510 F C 2.427 178.122 175.800 -0.175 0.000 1.104 510 F CA 1.606 59.554 58.000 -0.087 0.000 1.232 510 F CB -0.436 38.562 39.000 -0.004 0.000 0.987 510 F HN 0.016 nan 8.300 nan 0.000 0.475 511 F N 0.890 120.620 119.950 -0.366 0.000 2.091 511 F HA -0.269 4.257 4.527 -0.001 0.000 0.299 511 F C 1.899 177.400 175.800 -0.497 0.000 1.103 511 F CA 2.036 59.636 58.000 -0.666 0.000 1.228 511 F CB -0.807 37.564 39.000 -1.048 0.000 0.984 511 F HN 0.002 nan 8.300 nan 0.000 0.477 512 L N 0.128 120.968 121.223 -0.638 0.000 2.083 512 L HA -0.158 4.181 4.340 -0.001 0.000 0.209 512 L C 2.840 179.462 176.870 -0.412 0.000 1.083 512 L CA 1.308 55.789 54.840 -0.598 0.000 0.752 512 L CB -1.615 40.215 42.059 -0.382 0.000 0.899 512 L HN 0.398 nan 8.230 nan 0.000 0.433 513 G N -0.539 108.044 108.800 -0.362 0.000 2.422 513 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.218 513 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.218 513 G C 1.597 176.336 174.900 -0.267 0.000 1.146 513 G CA 0.835 45.780 45.100 -0.258 0.000 0.769 513 G HN 0.186 nan 8.290 nan 0.000 0.547 514 V N 1.511 121.122 119.914 -0.505 0.000 2.307 514 V HA -0.123 3.996 4.120 -0.001 0.000 0.245 514 V C 2.790 178.729 176.094 -0.258 0.000 1.045 514 V CA 1.103 63.156 62.300 -0.412 0.000 1.024 514 V CB -0.317 31.233 31.823 -0.455 0.000 0.651 514 V HN 0.253 nan 8.190 nan 0.000 0.449 515 I N -0.442 119.845 120.570 -0.473 0.000 2.208 515 I HA -0.251 3.919 4.170 -0.001 0.000 0.245 515 I C 2.331 178.373 176.117 -0.125 0.000 1.097 515 I CA 1.861 62.941 61.300 -0.367 0.000 1.363 515 I CB -1.243 36.405 38.000 -0.586 0.000 1.051 515 I HN 0.352 nan 8.210 nan 0.000 0.413 516 F N 1.004 120.833 119.950 -0.201 0.000 2.102 516 F HA -0.295 4.231 4.527 -0.001 0.000 0.298 516 F C 2.784 178.560 175.800 -0.040 0.000 1.105 516 F CA 1.556 59.498 58.000 -0.097 0.000 1.239 516 F CB -0.746 38.199 39.000 -0.093 0.000 0.991 516 F HN 0.067 nan 8.300 nan 0.000 0.474 517 Y N 0.873 121.118 120.300 -0.091 0.000 2.145 517 Y HA -0.247 4.303 4.550 -0.001 0.000 0.286 517 Y C 2.491 178.292 175.900 -0.164 0.000 1.145 517 Y CA 2.512 60.533 58.100 -0.131 0.000 1.148 517 Y CB -0.978 37.457 38.460 -0.043 0.000 0.981 517 Y HN 0.046 nan 8.280 nan 0.000 0.507 518 T N 1.429 115.991 114.554 0.012 0.000 2.635 518 T HA -0.242 4.108 4.350 -0.001 0.000 0.267 518 T C 1.881 176.468 174.700 -0.188 0.000 1.040 518 T CA 2.133 64.202 62.100 -0.051 0.000 1.156 518 T CB -0.617 68.276 68.868 0.042 0.000 0.863 518 T HN 0.348 nan 8.240 nan 0.000 0.430 519 L N 1.014 122.120 121.223 -0.195 0.000 2.376 519 L HA -0.006 4.333 4.340 -0.001 0.000 0.219 519 L C 2.763 179.475 176.870 -0.262 0.000 1.133 519 L CA 1.277 56.011 54.840 -0.176 0.000 0.816 519 L CB -0.651 41.352 42.059 -0.093 0.000 0.933 519 L HN 0.496 nan 8.230 nan 0.000 0.449 520 T N -4.295 110.012 114.554 -0.412 0.000 3.018 520 T HA 0.095 4.444 4.350 -0.001 0.000 0.246 520 T C 1.700 176.176 174.700 -0.374 0.000 1.026 520 T CA -0.142 61.708 62.100 -0.417 0.000 1.081 520 T CB 0.269 68.772 68.868 -0.609 0.000 0.970 520 T HN 0.194 nan 8.240 nan 0.000 0.475 521 R N 0.405 120.596 120.500 -0.515 0.000 2.519 521 R HA 0.346 4.685 4.340 -0.001 0.000 0.375 521 R C 0.829 176.739 176.300 -0.649 0.000 0.926 521 R CA -0.219 55.544 56.100 -0.563 0.000 1.166 521 R CB 1.033 30.926 30.300 -0.678 0.000 1.626 521 R HN 0.395 nan 8.270 nan 0.000 0.529 522 G N 1.200 109.682 108.800 -0.529 0.000 2.441 522 G HA2 0.383 4.343 3.960 -0.001 0.000 0.243 522 G HA3 0.383 4.343 3.960 -0.001 0.000 0.243 522 G C 0.277 175.089 174.900 -0.148 0.000 1.281 522 G CA -0.181 44.758 45.100 -0.267 0.000 0.854 522 G HN 0.248 nan 8.290 nan 0.000 0.560 523 A N 2.906 125.689 122.820 -0.061 0.000 2.598 523 A HA 0.134 4.453 4.320 -0.001 0.000 0.239 523 A C 1.069 178.597 177.584 -0.094 0.000 1.032 523 A CA 0.356 52.358 52.037 -0.058 0.000 0.760 523 A CB 0.030 19.011 19.000 -0.031 0.000 0.946 523 A HN 0.771 nan 8.150 nan 0.000 0.512 524 R N 1.459 121.910 120.500 -0.083 0.000 2.543 524 R HA 0.324 4.664 4.340 -0.001 0.000 0.277 524 R C -0.489 175.752 176.300 -0.099 0.000 1.074 524 R CA -0.500 55.549 56.100 -0.085 0.000 1.076 524 R CB 0.606 30.870 30.300 -0.061 0.000 0.993 524 R HN 0.478 nan 8.270 nan 0.000 0.459 525 V N 2.526 122.371 119.914 -0.114 0.000 2.498 525 V HA 0.031 4.150 4.120 -0.001 0.000 0.279 525 V C 1.420 177.487 176.094 -0.044 0.000 1.048 525 V CA 0.123 62.346 62.300 -0.129 0.000 0.967 525 V CB 1.335 33.040 31.823 -0.197 0.000 0.988 525 V HN 1.044 nan 8.190 nan 0.000 0.473 526 T N 1.921 116.463 114.554 -0.019 0.000 3.044 526 T HA 0.287 4.636 4.350 -0.001 0.000 0.237 526 T C 0.958 175.687 174.700 0.049 0.000 1.001 526 T CA 0.581 62.689 62.100 0.012 0.000 1.160 526 T CB 0.087 68.960 68.868 0.007 0.000 0.889 526 T HN 0.800 nan 8.240 nan 0.000 0.442 527 A N 1.958 124.823 122.820 0.075 0.000 2.406 527 A HA 0.450 4.770 4.320 -0.001 0.000 0.243 527 A C 1.115 178.802 177.584 0.173 0.000 1.082 527 A CA -0.338 51.765 52.037 0.110 0.000 0.786 527 A CB -0.014 19.050 19.000 0.106 0.000 1.029 527 A HN 0.409 nan 8.150 nan 0.000 0.495 528 N N 0.477 119.269 118.700 0.153 0.000 2.135 528 N HA -0.064 4.675 4.740 -0.001 0.000 0.186 528 N C 0.238 175.916 175.510 0.280 0.000 1.027 528 N CA 1.250 54.416 53.050 0.193 0.000 0.849 528 N CB -0.088 38.486 38.487 0.146 0.000 1.002 528 N HN 0.671 nan 8.380 nan 0.000 0.425 529 N N 0.466 119.278 118.700 0.186 0.000 2.558 529 N HA 0.022 4.762 4.740 -0.001 0.000 0.242 529 N C -0.554 174.889 175.510 -0.110 0.000 0.979 529 N CA -0.388 52.695 53.050 0.054 0.000 0.931 529 N CB 0.221 38.719 38.487 0.018 0.000 1.122 529 N HN 0.222 nan 8.380 nan 0.000 0.508 530 Y N 1.117 121.314 120.300 -0.171 0.000 2.490 530 Y HA 0.364 4.913 4.550 -0.001 0.000 0.281 530 Y C 0.816 176.470 175.900 -0.409 0.000 1.174 530 Y CA -0.769 57.147 58.100 -0.305 0.000 1.295 530 Y CB -0.329 37.909 38.460 -0.369 0.000 1.062 530 Y HN 0.346 nan 8.280 nan 0.000 0.522 531 W N 2.056 123.116 121.300 -0.399 0.000 3.186 531 W HA 0.216 4.875 4.660 -0.001 0.000 0.281 531 W C 0.095 176.454 176.519 -0.267 0.000 1.188 531 W CA 0.264 57.392 57.345 -0.363 0.000 1.927 531 W CB -0.126 28.898 29.460 -0.726 0.000 1.328 531 W HN 0.084 nan 8.180 nan 0.000 0.514 532 N N -1.365 117.293 118.700 -0.070 0.000 3.116 532 N HA 0.008 4.747 4.740 -0.001 0.000 0.244 532 N C 0.140 175.571 175.510 -0.131 0.000 1.485 532 N CA -0.360 52.650 53.050 -0.067 0.000 0.884 532 N CB 0.394 38.874 38.487 -0.011 0.000 1.415 532 N HN 0.124 nan 8.380 nan 0.000 0.524 533 E N -0.590 119.538 120.200 -0.120 0.000 2.401 533 E HA -0.211 4.139 4.350 -0.001 0.000 0.199 533 E C -0.013 176.403 176.600 -0.308 0.000 1.023 533 E CA 1.298 57.572 56.400 -0.210 0.000 0.859 533 E CB -0.534 29.022 29.700 -0.240 0.000 0.780 533 E HN 0.675 nan 8.360 nan 0.000 0.523 534 H N 0.642 119.634 119.070 -0.129 0.000 2.548 534 H HA 0.322 4.877 4.556 -0.001 0.000 0.265 534 H C 0.297 175.528 175.328 -0.162 0.000 0.969 534 H CA 0.593 56.565 56.048 -0.126 0.000 1.155 534 H CB 0.416 30.103 29.762 -0.125 0.000 1.394 534 H HN 0.179 nan 8.280 nan 0.000 0.570 535 A N 2.504 125.219 122.820 -0.176 0.000 2.671 535 A HA 0.077 4.396 4.320 -0.001 0.000 0.306 535 A C 0.078 177.614 177.584 -0.080 0.000 1.473 535 A CA -0.462 51.416 52.037 -0.264 0.000 1.155 535 A CB -0.415 18.081 19.000 -0.840 0.000 1.123 535 A HN 0.282 nan 8.150 nan 0.000 0.545 536 D N 1.427 121.874 120.400 0.079 0.000 2.670 536 D HA 0.091 4.730 4.640 -0.001 0.000 0.255 536 D C 0.324 176.741 176.300 0.195 0.000 1.286 536 D CA 0.121 54.188 54.000 0.110 0.000 0.830 536 D CB -0.466 40.349 40.800 0.024 0.000 1.065 536 D HN 0.359 nan 8.370 nan 0.000 0.486 537 T N -3.052 111.725 114.554 0.372 0.000 2.944 537 T HA 0.429 4.778 4.350 -0.001 0.000 0.284 537 T C 1.568 176.498 174.700 0.384 0.000 1.010 537 T CA -0.867 61.441 62.100 0.347 0.000 1.025 537 T CB 1.513 70.579 68.868 0.330 0.000 1.079 537 T HN -0.059 nan 8.240 nan 0.000 0.516 538 L N 0.880 122.289 121.223 0.310 0.000 2.079 538 L HA -0.119 4.221 4.340 -0.001 0.000 0.210 538 L C 3.072 180.048 176.870 0.178 0.000 1.081 538 L CA 1.729 56.702 54.840 0.221 0.000 0.752 538 L CB -0.637 41.528 42.059 0.176 0.000 0.896 538 L HN 0.879 nan 8.230 nan 0.000 0.433 539 E N -0.066 120.227 120.200 0.155 0.000 2.265 539 E HA -0.257 4.092 4.350 -0.001 0.000 0.196 539 E C 1.665 178.182 176.600 -0.138 0.000 0.996 539 E CA 1.378 57.761 56.400 -0.028 0.000 0.832 539 E CB -0.477 29.200 29.700 -0.039 0.000 0.756 539 E HN 0.637 nan 8.360 nan 0.000 0.491 540 W N 1.867 123.286 121.300 0.197 0.000 3.003 540 W HA 0.040 4.699 4.660 -0.001 0.000 0.257 540 W C 2.430 178.993 176.519 0.074 0.000 1.308 540 W CA 0.928 58.334 57.345 0.102 0.000 1.529 540 W CB 0.141 29.641 29.460 0.067 0.000 1.115 540 W HN 0.167 nan 8.180 nan 0.000 0.659 541 T N -1.695 113.001 114.554 0.236 0.000 3.014 541 T HA 0.086 4.435 4.350 -0.001 0.000 0.263 541 T C 0.872 175.638 174.700 0.110 0.000 1.078 541 T CA 0.350 62.541 62.100 0.152 0.000 1.135 541 T CB -0.371 68.568 68.868 0.119 0.000 0.895 541 T HN -0.113 nan 8.240 nan 0.000 0.480 542 L N 1.294 122.574 121.223 0.094 0.000 2.479 542 L HA 0.433 4.772 4.340 -0.001 0.000 0.249 542 L C 1.249 178.165 176.870 0.076 0.000 1.178 542 L CA -0.918 53.959 54.840 0.062 0.000 0.811 542 L CB 0.309 42.387 42.059 0.031 0.000 1.187 542 L HN 0.062 nan 8.230 nan 0.000 0.480 543 T N -0.835 113.753 114.554 0.057 0.000 2.754 543 T HA 0.202 4.551 4.350 -0.001 0.000 0.286 543 T C -0.051 174.699 174.700 0.084 0.000 0.997 543 T CA -0.426 61.715 62.100 0.069 0.000 0.982 543 T CB 0.610 69.504 68.868 0.042 0.000 1.027 543 T HN 0.545 nan 8.240 nan 0.000 0.529 544 S N 3.773 119.532 115.700 0.098 0.000 2.667 544 S HA 0.443 4.912 4.470 -0.001 0.000 0.304 544 S C -2.551 172.089 174.600 0.066 0.000 1.135 544 S CA -0.914 57.356 58.200 0.117 0.000 1.125 544 S CB 1.395 64.711 63.200 0.194 0.000 0.996 544 S HN 0.638 nan 8.310 nan 0.000 0.474 545 P HA 0.405 nan 4.420 nan 0.000 0.276 545 P C -2.917 174.398 177.300 0.025 0.000 1.244 545 P CA -1.872 61.264 63.100 0.061 0.000 0.801 545 P CB -0.382 31.350 31.700 0.052 0.000 1.006 546 P HA 0.198 nan 4.420 nan 0.000 0.270 546 P C -2.265 174.990 177.300 -0.076 0.000 1.223 546 P CA -0.890 62.187 63.100 -0.038 0.000 0.785 546 P CB -1.325 30.325 31.700 -0.082 0.000 0.923 547 P HA -0.001 nan 4.420 nan 0.000 0.267 547 P C 0.827 178.050 177.300 -0.129 0.000 1.200 547 P CA 0.296 63.356 63.100 -0.065 0.000 0.772 547 P CB 0.350 32.035 31.700 -0.024 0.000 0.855 548 E N 0.487 120.599 120.200 -0.147 0.000 2.108 548 E HA -0.238 4.111 4.350 -0.001 0.000 0.203 548 E C -0.098 176.258 176.600 -0.406 0.000 1.022 548 E CA 1.571 57.797 56.400 -0.291 0.000 0.823 548 E CB -0.346 29.194 29.700 -0.265 0.000 0.744 548 E HN 0.621 nan 8.360 nan 0.000 0.456 549 H N -0.079 118.922 119.070 -0.114 0.000 2.623 549 H HA 0.220 4.776 4.556 -0.001 0.000 0.299 549 H C -0.218 175.065 175.328 -0.074 0.000 1.052 549 H CA -0.295 55.699 56.048 -0.091 0.000 1.231 549 H CB 1.020 30.739 29.762 -0.072 0.000 1.389 549 H HN 0.038 nan 8.280 nan 0.000 0.469 550 T N 0.000 114.555 114.554 0.001 0.000 3.816 550 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 550 T CA 0.000 62.098 62.100 -0.003 0.000 1.349 550 T CB 0.000 68.846 68.868 -0.036 0.000 0.612 550 T HN 0.000 nan 8.240 nan 0.000 0.658