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 3omn_1_C DATA FIRST_RESID 20 DATA SEQUENCE WFMSTNHKDI GVLYLFTGGL VGLISVAFTV YMRMELMAPG VQFMcAEHLE DATA SEQUENCE SGLVKGFFQS LWPSAVENcT PNGHLWNVMI TGHGILMMFF VVIPALFGGF DATA SEQUENCE GNYFMPLHIG APAMAFPRMN 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 0.000 176.380 176.519 -0.231 0.000 1.175 20 W CA 0.000 57.241 57.345 -0.174 0.000 1.226 20 W CB 0.000 29.304 29.460 -0.260 0.000 1.126 21 F N 1.975 121.908 119.950 -0.027 0.000 2.407 21 F HA 0.049 4.576 4.527 -0.001 0.000 0.299 21 F C 2.394 178.288 175.800 0.156 0.000 1.097 21 F CA 1.980 60.003 58.000 0.039 0.000 1.422 21 F CB 0.033 39.172 39.000 0.232 0.000 1.067 21 F HN -0.021 nan 8.300 nan 0.000 0.539 22 M N -1.113 118.645 119.600 0.263 0.000 2.514 22 M HA 0.076 4.555 4.480 -0.001 0.000 0.258 22 M C 1.012 177.380 176.300 0.113 0.000 1.119 22 M CA 0.339 55.764 55.300 0.209 0.000 1.111 22 M CB -0.965 31.721 32.600 0.143 0.000 1.390 22 M HN -0.070 nan 8.290 nan 0.000 0.475 23 S N 1.484 117.201 115.700 0.029 0.000 2.549 23 S HA 0.371 4.840 4.470 -0.001 0.000 0.283 23 S C 1.154 175.736 174.600 -0.031 0.000 1.320 23 S CA 0.633 58.813 58.200 -0.034 0.000 1.058 23 S CB 0.703 63.839 63.200 -0.107 0.000 0.882 23 S HN 0.565 nan 8.310 nan 0.000 0.498 24 T N 3.436 117.976 114.554 -0.023 0.000 3.086 24 T HA 0.219 4.569 4.350 -0.001 0.000 0.250 24 T C 0.672 175.343 174.700 -0.048 0.000 1.074 24 T CA -0.241 61.856 62.100 -0.004 0.000 0.988 24 T CB -0.316 68.568 68.868 0.026 0.000 0.988 24 T HN 0.665 nan 8.240 nan 0.000 0.530 25 N N 1.222 119.849 118.700 -0.121 0.000 2.488 25 N HA 0.072 4.811 4.740 -0.001 0.000 0.274 25 N C 1.278 176.637 175.510 -0.251 0.000 1.111 25 N CA -0.143 52.783 53.050 -0.206 0.000 0.974 25 N CB 0.786 39.091 38.487 -0.302 0.000 1.089 25 N HN 0.598 nan 8.380 nan 0.000 0.465 26 H N 3.689 122.627 119.070 -0.220 0.000 2.390 26 H HA -0.093 4.462 4.556 -0.001 0.000 0.298 26 H C 1.208 176.319 175.328 -0.362 0.000 1.106 26 H CA 1.568 57.473 56.048 -0.238 0.000 1.297 26 H CB 0.157 29.779 29.762 -0.232 0.000 1.375 26 H HN 0.549 nan 8.280 nan 0.000 0.509 27 K N 0.267 120.009 120.400 -1.096 0.000 2.057 27 K HA -0.113 4.206 4.320 -0.001 0.000 0.206 27 K C 1.668 177.960 176.600 -0.512 0.000 1.050 27 K CA 1.421 57.012 56.287 -1.160 0.000 0.935 27 K CB 0.052 31.747 32.500 -1.342 0.000 0.715 27 K HN 0.490 nan 8.250 nan 0.000 0.439 28 D N 0.933 121.094 120.400 -0.398 0.000 2.123 28 D HA -0.096 4.543 4.640 -0.001 0.000 0.200 28 D C 2.036 178.179 176.300 -0.261 0.000 0.976 28 D CA 0.994 54.833 54.000 -0.269 0.000 0.831 28 D CB -0.066 40.579 40.800 -0.257 0.000 0.974 28 D HN 0.162 nan 8.370 nan 0.000 0.469 29 I N 1.583 122.012 120.570 -0.235 0.000 2.179 29 I HA -0.179 3.990 4.170 -0.001 0.000 0.242 29 I C 2.722 178.809 176.117 -0.050 0.000 1.088 29 I CA 1.351 62.530 61.300 -0.201 0.000 1.357 29 I CB -0.560 37.406 38.000 -0.057 0.000 1.051 29 I HN 0.000 nan 8.210 nan 0.000 0.409 30 G N 0.501 109.312 108.800 0.018 0.000 2.513 30 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.219 30 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.219 30 G C 1.683 176.621 174.900 0.064 0.000 1.160 30 G CA 1.242 46.402 45.100 0.099 0.000 0.767 30 G HN 0.278 nan 8.290 nan 0.000 0.571 31 V N 0.670 120.608 119.914 0.040 0.000 2.515 31 V HA -0.058 4.061 4.120 -0.001 0.000 0.250 31 V C 2.875 178.987 176.094 0.030 0.000 1.058 31 V CA 1.211 63.527 62.300 0.028 0.000 1.064 31 V CB -0.262 31.609 31.823 0.080 0.000 0.675 31 V HN 0.343 nan 8.190 nan 0.000 0.461 32 L N -1.581 119.548 121.223 -0.158 0.000 2.005 32 L HA -0.183 4.157 4.340 -0.001 0.000 0.207 32 L C 2.473 179.326 176.870 -0.029 0.000 1.072 32 L CA 1.970 56.598 54.840 -0.352 0.000 0.744 32 L CB -0.666 40.745 42.059 -1.080 0.000 0.895 32 L HN 0.265 nan 8.230 nan 0.000 0.433 33 Y N -0.057 120.268 120.300 0.042 0.000 2.114 33 Y HA -0.337 4.212 4.550 -0.001 0.000 0.282 33 Y C 2.540 178.497 175.900 0.094 0.000 1.165 33 Y CA 1.340 59.552 58.100 0.187 0.000 1.148 33 Y CB -0.234 38.254 38.460 0.046 0.000 0.972 33 Y HN 0.096 nan 8.280 nan 0.000 0.504 34 L N -1.801 119.488 121.223 0.108 0.000 2.017 34 L HA -0.262 4.077 4.340 -0.001 0.000 0.208 34 L C 2.137 178.995 176.870 -0.019 0.000 1.073 34 L CA 1.325 56.113 54.840 -0.087 0.000 0.745 34 L CB -0.533 41.332 42.059 -0.323 0.000 0.894 34 L HN 0.178 nan 8.230 nan 0.000 0.432 35 F N -0.197 119.785 119.950 0.055 0.000 2.146 35 F HA -0.206 4.320 4.527 -0.001 0.000 0.298 35 F C 2.610 178.500 175.800 0.150 0.000 1.096 35 F CA 1.712 59.759 58.000 0.078 0.000 1.275 35 F CB -0.862 38.150 39.000 0.020 0.000 1.008 35 F HN 0.045 nan 8.300 nan 0.000 0.480 36 T N -0.946 113.848 114.554 0.400 0.000 2.668 36 T HA -0.100 4.249 4.350 -0.001 0.000 0.262 36 T C 2.411 177.349 174.700 0.397 0.000 1.045 36 T CA 1.351 63.685 62.100 0.390 0.000 1.152 36 T CB -1.223 67.939 68.868 0.489 0.000 0.864 36 T HN 0.375 nan 8.240 nan 0.000 0.419 37 G N 1.204 110.266 108.800 0.435 0.000 2.503 37 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.221 37 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.221 37 G C 1.686 176.740 174.900 0.257 0.000 1.131 37 G CA 1.179 46.477 45.100 0.331 0.000 0.756 37 G HN 0.593 nan 8.290 nan 0.000 0.572 38 G N 0.425 109.377 108.800 0.253 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 1.715 176.821 174.900 0.343 0.000 1.154 38 G CA 0.996 46.281 45.100 0.308 0.000 0.784 38 G HN 0.456 nan 8.290 nan 0.000 0.538 39 L N 0.940 122.340 121.223 0.295 0.000 2.044 39 L HA 0.059 4.399 4.340 -0.001 0.000 0.205 39 L C 2.849 179.845 176.870 0.209 0.000 1.075 39 L CA 1.421 56.412 54.840 0.251 0.000 0.747 39 L CB -0.542 41.645 42.059 0.213 0.000 0.903 39 L HN 0.055 nan 8.230 nan 0.000 0.435 40 V N 0.543 120.576 119.914 0.198 0.000 2.287 40 V HA -0.226 3.893 4.120 -0.001 0.000 0.248 40 V C 2.697 178.863 176.094 0.119 0.000 1.053 40 V CA 1.814 64.203 62.300 0.148 0.000 1.027 40 V CB -1.944 30.006 31.823 0.212 0.000 0.646 40 V HN 0.631 nan 8.190 nan 0.000 0.447 41 G N 0.100 108.998 108.800 0.163 0.000 2.469 41 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.220 41 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.220 41 G C 1.596 176.561 174.900 0.109 0.000 1.136 41 G CA 1.292 46.456 45.100 0.107 0.000 0.759 41 G HN 0.475 nan 8.290 nan 0.000 0.562 42 L N 0.551 121.949 121.223 0.291 0.000 2.083 42 L HA 0.093 4.432 4.340 -0.001 0.000 0.209 42 L C 2.615 179.602 176.870 0.195 0.000 1.083 42 L CA 1.314 56.392 54.840 0.397 0.000 0.752 42 L CB -0.302 42.044 42.059 0.478 0.000 0.899 42 L HN 0.289 nan 8.230 nan 0.000 0.433 43 I N -1.408 119.197 120.570 0.059 0.000 2.163 43 I HA -0.267 3.902 4.170 -0.001 0.000 0.240 43 I C 2.644 178.470 176.117 -0.484 0.000 1.081 43 I CA 1.431 62.644 61.300 -0.146 0.000 1.353 43 I CB -0.610 37.302 38.000 -0.146 0.000 1.054 43 I HN 0.281 nan 8.210 nan 0.000 0.407 44 S N 0.410 115.890 115.700 -0.367 0.000 2.387 44 S HA -0.154 4.316 4.470 -0.001 0.000 0.230 44 S C 2.030 176.590 174.600 -0.067 0.000 1.035 44 S CA 1.441 59.471 58.200 -0.284 0.000 1.014 44 S CB -0.209 62.981 63.200 -0.017 0.000 0.836 44 S HN 0.237 nan 8.310 nan 0.000 0.466 45 V N 1.681 121.577 119.914 -0.029 0.000 2.548 45 V HA -0.026 4.093 4.120 -0.001 0.000 0.249 45 V C 2.692 178.754 176.094 -0.053 0.000 1.055 45 V CA 1.380 63.679 62.300 -0.001 0.000 1.065 45 V CB -1.159 30.668 31.823 0.006 0.000 0.681 45 V HN 0.578 nan 8.190 nan 0.000 0.462 46 A N 0.139 122.950 122.820 -0.016 0.000 1.902 46 A HA -0.177 4.142 4.320 -0.001 0.000 0.217 46 A C 2.039 179.688 177.584 0.107 0.000 1.181 46 A CA 1.685 53.694 52.037 -0.048 0.000 0.623 46 A CB -0.644 18.425 19.000 0.115 0.000 0.818 46 A HN 0.424 nan 8.150 nan 0.000 0.443 47 F N 0.562 120.493 119.950 -0.033 0.000 2.065 47 F HA -0.163 4.364 4.527 -0.001 0.000 0.298 47 F C 2.823 178.540 175.800 -0.139 0.000 1.112 47 F CA 1.430 59.407 58.000 -0.040 0.000 1.212 47 F CB -1.700 37.291 39.000 -0.016 0.000 0.975 47 F HN 0.163 nan 8.300 nan 0.000 0.476 48 T N 0.263 114.793 114.554 -0.040 0.000 2.685 48 T HA -0.168 4.182 4.350 -0.001 0.000 0.268 48 T C 2.325 176.946 174.700 -0.131 0.000 1.034 48 T CA 1.546 63.511 62.100 -0.225 0.000 1.149 48 T CB -0.519 68.186 68.868 -0.272 0.000 0.860 48 T HN 0.034 nan 8.240 nan 0.000 0.449 49 V N -0.007 119.830 119.914 -0.129 0.000 2.358 49 V HA -0.122 3.998 4.120 -0.001 0.000 0.246 49 V C 1.979 178.102 176.094 0.049 0.000 1.047 49 V CA 1.540 63.793 62.300 -0.078 0.000 1.035 49 V CB -0.637 30.954 31.823 -0.388 0.000 0.658 49 V HN 0.498 nan 8.190 nan 0.000 0.452 50 Y N 0.310 120.528 120.300 -0.138 0.000 2.200 50 Y HA -0.203 4.346 4.550 -0.001 0.000 0.290 50 Y C 2.432 178.271 175.900 -0.101 0.000 1.137 50 Y CA 1.513 59.513 58.100 -0.166 0.000 1.163 50 Y CB -0.427 37.936 38.460 -0.161 0.000 0.988 50 Y HN 0.181 nan 8.280 nan 0.000 0.518 51 M N -0.454 119.071 119.600 -0.126 0.000 2.073 51 M HA -0.295 4.184 4.480 -0.001 0.000 0.258 51 M C 2.072 178.434 176.300 0.103 0.000 1.070 51 M CA 1.865 57.102 55.300 -0.103 0.000 1.103 51 M CB -0.279 32.171 32.600 -0.250 0.000 1.321 51 M HN 0.012 nan 8.290 nan 0.000 0.405 52 R N -0.249 120.252 120.500 0.002 0.000 2.189 52 R HA 0.053 4.393 4.340 -0.001 0.000 0.218 52 R C 1.913 178.231 176.300 0.029 0.000 1.074 52 R CA 1.064 57.134 56.100 -0.050 0.000 0.991 52 R CB -0.679 29.453 30.300 -0.279 0.000 0.883 52 R HN 0.511 nan 8.270 nan 0.000 0.457 53 M N 0.239 119.879 119.600 0.067 0.000 2.067 53 M HA -0.169 4.310 4.480 -0.001 0.000 0.260 53 M C 2.075 178.304 176.300 -0.118 0.000 1.069 53 M CA 1.670 56.927 55.300 -0.071 0.000 1.117 53 M CB -0.226 32.023 32.600 -0.585 0.000 1.334 53 M HN -0.099 nan 8.290 nan 0.000 0.407 54 E N 0.712 120.818 120.200 -0.157 0.000 2.153 54 E HA -0.104 4.245 4.350 -0.001 0.000 0.194 54 E C 1.611 178.294 176.600 0.138 0.000 0.988 54 E CA 1.226 57.684 56.400 0.098 0.000 0.811 54 E CB -0.238 29.516 29.700 0.090 0.000 0.746 54 E HN 0.482 nan 8.360 nan 0.000 0.466 55 L N 0.103 121.417 121.223 0.153 0.000 2.558 55 L HA 0.142 4.481 4.340 -0.001 0.000 0.225 55 L C 2.275 179.301 176.870 0.259 0.000 1.128 55 L CA 0.151 55.122 54.840 0.218 0.000 0.868 55 L CB -0.265 41.873 42.059 0.133 0.000 1.006 55 L HN 0.271 nan 8.230 nan 0.000 0.454 56 M N 0.306 120.028 119.600 0.203 0.000 2.213 56 M HA -0.053 4.426 4.480 -0.001 0.000 0.263 56 M C 0.694 177.213 176.300 0.365 0.000 1.062 56 M CA 1.366 56.813 55.300 0.245 0.000 1.105 56 M CB 0.199 32.960 32.600 0.269 0.000 1.385 56 M HN 0.199 nan 8.290 nan 0.000 0.417 57 A N 0.744 123.742 122.820 0.297 0.000 2.449 57 A HA 0.734 5.053 4.320 -0.001 0.000 0.302 57 A C -2.721 174.850 177.584 -0.022 0.000 1.048 57 A CA -1.561 50.595 52.037 0.199 0.000 0.708 57 A CB 0.855 19.936 19.000 0.136 0.000 1.274 57 A HN 0.185 nan 8.150 nan 0.000 0.410 58 P HA 0.437 nan 4.420 nan 0.000 0.272 58 P C 0.482 177.603 177.300 -0.298 0.000 1.230 58 P CA 1.359 64.112 63.100 -0.578 0.000 0.788 58 P CB 0.737 32.228 31.700 -0.347 0.000 0.949 59 G N -0.012 108.603 108.800 -0.308 0.000 2.721 59 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.686 59 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.686 59 G C -1.001 173.805 174.900 -0.156 0.000 1.236 59 G CA -0.730 44.260 45.100 -0.183 0.000 0.786 59 G HN 0.442 nan 8.290 nan 0.000 0.616 60 V N 2.289 122.133 119.914 -0.118 0.000 2.406 60 V HA 0.490 4.609 4.120 -0.001 0.000 0.272 60 V C 0.850 176.902 176.094 -0.071 0.000 1.043 60 V CA 0.367 62.624 62.300 -0.072 0.000 0.915 60 V CB 1.428 33.214 31.823 -0.062 0.000 0.988 60 V HN 0.858 nan 8.190 nan 0.000 0.466 61 Q N 2.426 122.185 119.800 -0.068 0.000 2.245 61 Q HA 0.352 4.691 4.340 -0.001 0.000 0.250 61 Q C 0.755 176.520 176.000 -0.392 0.000 0.830 61 Q CA 0.408 56.052 55.803 -0.265 0.000 0.950 61 Q CB 0.565 29.047 28.738 -0.427 0.000 1.124 61 Q HN 0.793 nan 8.270 nan 0.000 0.502 62 F N -0.757 119.239 119.950 0.076 0.000 2.537 62 F HA 0.297 4.823 4.527 -0.001 0.000 0.277 62 F C 0.856 176.809 175.800 0.254 0.000 1.013 62 F CA 0.087 58.196 58.000 0.182 0.000 1.332 62 F CB 0.378 39.437 39.000 0.098 0.000 1.108 62 F HN -0.120 nan 8.300 nan 0.000 0.679 63 M N 1.833 121.625 119.600 0.319 0.000 3.586 63 M HA 0.161 4.640 4.480 -0.001 0.000 0.225 63 M C -1.066 175.315 176.300 0.136 0.000 1.428 63 M CA -0.164 55.295 55.300 0.265 0.000 1.613 63 M CB -0.684 32.042 32.600 0.209 0.000 1.063 63 M HN 0.092 nan 8.290 nan 0.000 0.593 64 c N 0.656 119.280 118.600 0.041 0.000 2.388 64 c HA 0.442 5.011 4.570 -0.001 0.000 0.362 64 c C 1.942 175.932 174.090 -0.168 0.000 1.266 64 c CA -0.645 55.565 56.329 -0.199 0.000 2.028 64 c CB 0.647 42.831 42.510 -0.543 0.000 2.440 64 c HN 0.879 nan 8.230 nan 0.000 0.547 65 A N 1.838 124.607 122.820 -0.084 0.000 2.024 65 A HA -0.142 4.177 4.320 -0.001 0.000 0.220 65 A C 1.862 179.420 177.584 -0.043 0.000 1.164 65 A CA 1.599 53.619 52.037 -0.029 0.000 0.643 65 A CB -0.367 18.624 19.000 -0.014 0.000 0.806 65 A HN 0.923 nan 8.150 nan 0.000 0.451 66 E N -0.304 119.819 120.200 -0.128 0.000 2.267 66 E HA -0.167 4.182 4.350 -0.001 0.000 0.197 66 E C 1.485 178.101 176.600 0.027 0.000 0.998 66 E CA 1.179 57.532 56.400 -0.079 0.000 0.830 66 E CB -0.308 29.324 29.700 -0.113 0.000 0.751 66 E HN 0.724 nan 8.360 nan 0.000 0.491 67 H N -0.632 118.487 119.070 0.082 0.000 2.555 67 H HA 0.074 4.629 4.556 -0.001 0.000 0.269 67 H C 1.659 177.045 175.328 0.097 0.000 0.988 67 H CA 0.525 56.633 56.048 0.099 0.000 1.178 67 H CB -0.045 29.790 29.762 0.122 0.000 1.373 67 H HN 0.196 nan 8.280 nan 0.000 0.588 68 L N 0.155 121.480 121.223 0.171 0.000 2.270 68 L HA -0.065 4.274 4.340 -0.001 0.000 0.210 68 L C 2.299 179.231 176.870 0.103 0.000 1.104 68 L CA 0.563 55.480 54.840 0.127 0.000 0.804 68 L CB 0.098 42.210 42.059 0.088 0.000 0.937 68 L HN 0.055 nan 8.230 nan 0.000 0.450 69 E N -0.620 119.637 120.200 0.095 0.000 2.274 69 E HA -0.014 4.335 4.350 -0.001 0.000 0.194 69 E C 1.160 177.811 176.600 0.086 0.000 0.996 69 E CA 0.272 56.718 56.400 0.076 0.000 0.840 69 E CB -0.002 29.735 29.700 0.062 0.000 0.772 69 E HN 0.479 nan 8.360 nan 0.000 0.491 70 S N -0.553 115.214 115.700 0.113 0.000 2.641 70 S HA 0.542 5.011 4.470 -0.001 0.000 0.261 70 S C 0.895 175.561 174.600 0.109 0.000 1.257 70 S CA -0.330 57.937 58.200 0.111 0.000 0.983 70 S CB 0.949 64.229 63.200 0.133 0.000 0.990 70 S HN 0.510 nan 8.310 nan 0.000 0.572 71 G N -0.791 108.073 108.800 0.105 0.000 2.588 71 G HA2 0.449 4.409 3.960 -0.001 0.000 0.278 71 G HA3 0.449 4.409 3.960 -0.001 0.000 0.278 71 G C 1.195 176.178 174.900 0.138 0.000 1.307 71 G CA -0.153 45.011 45.100 0.105 0.000 1.016 71 G HN 0.746 nan 8.290 nan 0.000 0.503 72 L N -1.016 120.288 121.223 0.136 0.000 2.027 72 L HA 0.040 4.380 4.340 -0.001 0.000 0.206 72 L C 3.087 180.080 176.870 0.204 0.000 1.074 72 L CA 2.435 57.380 54.840 0.174 0.000 0.745 72 L CB -1.555 40.595 42.059 0.152 0.000 0.898 72 L HN 0.449 nan 8.230 nan 0.000 0.433 73 V N 0.380 120.395 119.914 0.169 0.000 2.323 73 V HA -0.172 3.948 4.120 -0.001 0.000 0.244 73 V C 3.298 179.597 176.094 0.343 0.000 1.041 73 V CA 2.480 64.916 62.300 0.226 0.000 1.025 73 V CB -1.015 30.897 31.823 0.149 0.000 0.656 73 V HN 0.814 nan 8.190 nan 0.000 0.451 74 K N 0.628 121.163 120.400 0.225 0.000 2.032 74 K HA -0.151 4.168 4.320 -0.001 0.000 0.209 74 K C 2.272 179.003 176.600 0.218 0.000 1.048 74 K CA 1.889 58.297 56.287 0.201 0.000 0.927 74 K CB -1.760 30.812 32.500 0.120 0.000 0.712 74 K HN 0.603 nan 8.250 nan 0.000 0.441 75 G N -0.351 108.570 108.800 0.201 0.000 2.432 75 G HA2 -0.120 3.840 3.960 -0.001 0.000 0.219 75 G HA3 -0.120 3.840 3.960 -0.001 0.000 0.219 75 G C 1.557 176.533 174.900 0.126 0.000 1.135 75 G CA 0.953 46.152 45.100 0.166 0.000 0.767 75 G HN 0.567 nan 8.290 nan 0.000 0.550 76 F N 0.779 120.761 119.950 0.054 0.000 2.046 76 F HA -0.004 4.522 4.527 -0.001 0.000 0.297 76 F C 2.249 177.968 175.800 -0.135 0.000 1.123 76 F CA 1.555 59.516 58.000 -0.065 0.000 1.199 76 F CB -0.224 38.724 39.000 -0.086 0.000 0.972 76 F HN 0.115 nan 8.300 nan 0.000 0.474 77 F N 0.515 120.546 119.950 0.134 0.000 2.325 77 F HA -0.120 4.406 4.527 -0.001 0.000 0.299 77 F C 2.634 178.392 175.800 -0.069 0.000 1.090 77 F CA 1.453 59.471 58.000 0.030 0.000 1.392 77 F CB -0.810 38.281 39.000 0.151 0.000 1.053 77 F HN 0.085 nan 8.300 nan 0.000 0.521 78 Q N 0.205 120.034 119.800 0.047 0.000 2.084 78 Q HA -0.197 4.142 4.340 -0.001 0.000 0.202 78 Q C 2.211 177.992 176.000 -0.366 0.000 0.978 78 Q CA 2.049 57.762 55.803 -0.149 0.000 0.844 78 Q CB -0.105 28.490 28.738 -0.239 0.000 0.898 78 Q HN 0.433 nan 8.270 nan 0.000 0.426 79 S N -0.482 114.946 115.700 -0.454 0.000 2.561 79 S HA 0.022 4.492 4.470 -0.001 0.000 0.225 79 S C 1.577 176.296 174.600 0.197 0.000 0.977 79 S CA 0.238 58.328 58.200 -0.184 0.000 0.926 79 S CB -0.036 63.160 63.200 -0.007 0.000 0.769 79 S HN 0.334 nan 8.310 nan 0.000 0.533 80 L N -0.222 121.022 121.223 0.036 0.000 2.558 80 L HA 0.296 4.635 4.340 -0.001 0.000 0.225 80 L C 0.830 178.013 176.870 0.520 0.000 1.128 80 L CA -0.009 54.925 54.840 0.158 0.000 0.868 80 L CB 0.009 42.002 42.059 -0.111 0.000 1.006 80 L HN 0.487 nan 8.230 nan 0.000 0.454 81 W N 2.675 124.131 121.300 0.260 0.000 2.573 81 W HA 0.315 4.974 4.660 -0.001 0.000 0.326 81 W C -2.358 174.162 176.519 0.002 0.000 1.049 81 W CA -1.951 55.514 57.345 0.200 0.000 1.220 81 W CB 2.132 31.651 29.460 0.098 0.000 1.373 81 W HN -0.251 nan 8.180 nan 0.000 0.507 82 P HA 0.076 nan 4.420 nan 0.000 0.276 82 P C -0.561 176.582 177.300 -0.263 0.000 1.235 82 P CA 0.252 62.882 63.100 -0.784 0.000 0.772 82 P CB 1.381 32.640 31.700 -0.735 0.000 0.871 83 S N 1.350 116.918 115.700 -0.219 0.000 2.690 83 S HA 0.633 5.102 4.470 -0.001 0.000 0.291 83 S C 0.236 174.774 174.600 -0.105 0.000 1.138 83 S CA -0.598 57.564 58.200 -0.064 0.000 1.013 83 S CB 1.278 64.476 63.200 -0.004 0.000 1.053 83 S HN 0.629 nan 8.310 nan 0.000 0.539 84 A N 1.085 123.874 122.820 -0.052 0.000 2.407 84 A HA 0.369 4.689 4.320 -0.001 0.000 0.248 84 A C 1.345 178.892 177.584 -0.061 0.000 1.082 84 A CA -0.529 51.475 52.037 -0.055 0.000 0.785 84 A CB -0.116 18.867 19.000 -0.029 0.000 1.020 84 A HN 0.673 nan 8.150 nan 0.000 0.489 85 V N 2.034 121.909 119.914 -0.065 0.000 2.324 85 V HA -0.270 3.849 4.120 -0.001 0.000 0.250 85 V C 2.578 178.641 176.094 -0.052 0.000 1.060 85 V CA 2.466 64.727 62.300 -0.065 0.000 1.042 85 V CB -0.991 30.793 31.823 -0.064 0.000 0.650 85 V HN 1.029 nan 8.190 nan 0.000 0.450 86 E N 0.295 120.470 120.200 -0.041 0.000 2.333 86 E HA -0.214 4.136 4.350 -0.001 0.000 0.198 86 E C 1.069 177.651 176.600 -0.029 0.000 1.007 86 E CA 1.236 57.618 56.400 -0.031 0.000 0.845 86 E CB -0.483 29.203 29.700 -0.023 0.000 0.766 86 E HN 0.630 nan 8.360 nan 0.000 0.507 87 N N -0.095 118.586 118.700 -0.032 0.000 2.203 87 N HA 0.062 4.802 4.740 -0.001 0.000 0.207 87 N C -0.757 174.722 175.510 -0.052 0.000 1.130 87 N CA -0.025 53.008 53.050 -0.029 0.000 0.861 87 N CB 0.687 39.169 38.487 -0.010 0.000 1.005 87 N HN 0.088 nan 8.380 nan 0.000 0.507 88 c N 1.668 120.229 118.600 -0.064 0.000 2.356 88 c HA 0.394 4.963 4.570 -0.001 0.000 0.324 88 c C 0.027 174.072 174.090 -0.075 0.000 1.167 88 c CA -0.327 55.948 56.329 -0.091 0.000 1.420 88 c CB -0.846 41.610 42.510 -0.091 0.000 2.036 88 c HN 0.156 nan 8.230 nan 0.000 0.435 89 T N 8.696 123.203 114.554 -0.077 0.000 2.727 89 T HA 0.251 4.600 4.350 -0.001 0.000 0.295 89 T C -2.452 172.221 174.700 -0.046 0.000 0.915 89 T CA -0.317 61.751 62.100 -0.054 0.000 1.066 89 T CB 0.607 69.449 68.868 -0.043 0.000 0.891 89 T HN 0.558 nan 8.240 nan 0.000 0.516 90 P HA 0.080 nan 4.420 nan 0.000 0.264 90 P C -0.175 177.125 177.300 0.001 0.000 1.193 90 P CA -0.142 62.942 63.100 -0.027 0.000 0.763 90 P CB 0.319 31.990 31.700 -0.048 0.000 0.810 91 N N 2.283 121.005 118.700 0.036 0.000 2.800 91 N HA 0.206 4.946 4.740 -0.001 0.000 0.240 91 N C 1.400 176.982 175.510 0.120 0.000 1.096 91 N CA -0.313 52.783 53.050 0.078 0.000 0.877 91 N CB -0.113 38.434 38.487 0.099 0.000 1.138 91 N HN 0.359 nan 8.380 nan 0.000 0.509 92 G N 0.602 109.461 108.800 0.098 0.000 2.462 92 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.220 92 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.220 92 G C 1.243 176.257 174.900 0.190 0.000 1.121 92 G CA 0.868 46.042 45.100 0.123 0.000 0.758 92 G HN 0.715 nan 8.290 nan 0.000 0.559 93 H N -0.311 118.813 119.070 0.090 0.000 2.389 93 H HA 0.026 4.581 4.556 -0.001 0.000 0.299 93 H C 2.285 177.661 175.328 0.080 0.000 1.081 93 H CA 1.290 57.383 56.048 0.075 0.000 1.345 93 H CB -0.073 29.714 29.762 0.041 0.000 1.393 93 H HN 0.235 nan 8.280 nan 0.000 0.520 94 L N -0.007 121.293 121.223 0.127 0.000 2.056 94 L HA -0.141 4.199 4.340 -0.001 0.000 0.207 94 L C 2.350 179.234 176.870 0.023 0.000 1.078 94 L CA 1.781 56.659 54.840 0.063 0.000 0.749 94 L CB -1.110 41.039 42.059 0.150 0.000 0.901 94 L HN 0.542 nan 8.230 nan 0.000 0.433 95 W N 0.724 122.000 121.300 -0.040 0.000 2.317 95 W HA -0.316 4.343 4.660 -0.001 0.000 0.318 95 W C 2.122 178.613 176.519 -0.047 0.000 1.227 95 W CA 2.070 59.392 57.345 -0.038 0.000 1.269 95 W CB -0.428 29.029 29.460 -0.005 0.000 1.155 95 W HN 0.346 nan 8.180 nan 0.000 0.484 96 N N 0.489 119.229 118.700 0.066 0.000 2.166 96 N HA -0.166 4.574 4.740 -0.001 0.000 0.186 96 N C 1.702 177.098 175.510 -0.191 0.000 1.019 96 N CA 1.930 54.962 53.050 -0.031 0.000 0.856 96 N CB -1.004 37.488 38.487 0.008 0.000 0.993 96 N HN 0.085 nan 8.380 nan 0.000 0.426 97 V N 1.387 121.124 119.914 -0.296 0.000 2.307 97 V HA -0.164 3.955 4.120 -0.001 0.000 0.245 97 V C 2.350 178.289 176.094 -0.259 0.000 1.045 97 V CA 1.174 63.303 62.300 -0.285 0.000 1.024 97 V CB -0.352 31.275 31.823 -0.328 0.000 0.651 97 V HN 0.212 nan 8.190 nan 0.000 0.449 98 M N -0.822 118.571 119.600 -0.345 0.000 2.080 98 M HA -0.166 4.313 4.480 -0.001 0.000 0.260 98 M C 2.232 178.384 176.300 -0.247 0.000 1.068 98 M CA 1.951 56.995 55.300 -0.426 0.000 1.109 98 M CB -1.255 31.057 32.600 -0.480 0.000 1.342 98 M HN 0.260 nan 8.290 nan 0.000 0.405 99 I N 0.469 120.826 120.570 -0.354 0.000 2.208 99 I HA -0.248 3.921 4.170 -0.001 0.000 0.245 99 I C 2.395 178.545 176.117 0.054 0.000 1.097 99 I CA 1.608 62.808 61.300 -0.167 0.000 1.363 99 I CB -0.738 37.101 38.000 -0.268 0.000 1.051 99 I HN 0.318 nan 8.210 nan 0.000 0.413 100 T N -0.292 114.276 114.554 0.022 0.000 2.737 100 T HA -0.088 4.261 4.350 -0.001 0.000 0.265 100 T C 1.940 176.735 174.700 0.158 0.000 1.038 100 T CA 1.335 63.496 62.100 0.103 0.000 1.144 100 T CB -0.922 67.973 68.868 0.045 0.000 0.866 100 T HN 0.524 nan 8.240 nan 0.000 0.434 101 G N 0.871 109.758 108.800 0.145 0.000 2.446 101 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.217 101 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.217 101 G C 1.313 176.447 174.900 0.391 0.000 1.168 101 G CA 1.448 46.724 45.100 0.294 0.000 0.771 101 G HN 0.611 nan 8.290 nan 0.000 0.551 102 H N 0.865 120.132 119.070 0.327 0.000 2.319 102 H HA -0.036 4.519 4.556 -0.001 0.000 0.297 102 H C 2.657 178.036 175.328 0.084 0.000 1.097 102 H CA 2.345 58.524 56.048 0.218 0.000 1.285 102 H CB -0.749 29.122 29.762 0.181 0.000 1.368 102 H HN 0.225 nan 8.280 nan 0.000 0.495 103 G N 0.360 109.072 108.800 -0.147 0.000 2.418 103 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.217 103 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.217 103 G C 1.911 176.689 174.900 -0.203 0.000 1.158 103 G CA 0.993 45.883 45.100 -0.350 0.000 0.771 103 G HN 0.487 nan 8.290 nan 0.000 0.545 104 I N 0.330 120.987 120.570 0.145 0.000 2.252 104 I HA -0.095 4.074 4.170 -0.001 0.000 0.245 104 I C 2.724 179.069 176.117 0.380 0.000 1.102 104 I CA 0.533 62.060 61.300 0.377 0.000 1.385 104 I CB -0.201 38.056 38.000 0.429 0.000 1.064 104 I HN 0.129 nan 8.210 nan 0.000 0.414 105 L N -0.346 121.058 121.223 0.302 0.000 2.012 105 L HA -0.255 4.084 4.340 -0.001 0.000 0.210 105 L C 2.752 179.705 176.870 0.139 0.000 1.073 105 L CA 1.229 56.266 54.840 0.327 0.000 0.748 105 L CB -0.496 41.669 42.059 0.176 0.000 0.891 105 L HN 0.279 nan 8.230 nan 0.000 0.431 106 M N -1.026 118.519 119.600 -0.092 0.000 2.086 106 M HA -0.193 4.286 4.480 -0.001 0.000 0.261 106 M C 2.238 178.357 176.300 -0.302 0.000 1.067 106 M CA 1.830 56.997 55.300 -0.221 0.000 1.116 106 M CB -0.837 31.524 32.600 -0.398 0.000 1.348 106 M HN 0.250 nan 8.290 nan 0.000 0.407 107 M N -1.907 117.416 119.600 -0.462 0.000 2.506 107 M HA -0.007 4.472 4.480 -0.001 0.000 0.260 107 M C 1.403 177.232 176.300 -0.785 0.000 1.104 107 M CA 1.155 56.018 55.300 -0.728 0.000 1.112 107 M CB -0.735 31.167 32.600 -1.165 0.000 1.401 107 M HN 0.134 nan 8.290 nan 0.000 0.473 108 F N -2.201 117.559 119.950 -0.317 0.000 2.747 108 F HA 0.177 4.704 4.527 -0.001 0.000 0.305 108 F C 1.071 176.475 175.800 -0.661 0.000 1.065 108 F CA 0.105 57.745 58.000 -0.600 0.000 1.230 108 F CB 0.225 38.618 39.000 -1.012 0.000 1.027 108 F HN -0.119 nan 8.300 nan 0.000 0.607 109 F N -1.618 118.495 119.950 0.271 0.000 2.781 109 F HA 0.342 4.868 4.527 -0.001 0.000 0.322 109 F C 0.970 176.948 175.800 0.296 0.000 1.108 109 F CA -0.145 58.088 58.000 0.388 0.000 1.179 109 F CB -0.061 39.156 39.000 0.361 0.000 1.072 109 F HN -0.281 nan 8.300 nan 0.000 0.545 110 V N -1.874 118.163 119.914 0.205 0.000 3.264 110 V HA 0.064 4.184 4.120 -0.001 0.000 0.217 110 V C 1.702 177.805 176.094 0.015 0.000 1.236 110 V CA 0.468 62.844 62.300 0.126 0.000 1.287 110 V CB 0.115 31.976 31.823 0.062 0.000 1.241 110 V HN -0.068 nan 8.190 nan 0.000 0.518 111 V N 0.425 120.298 119.914 -0.069 0.000 2.407 111 V HA -0.106 4.014 4.120 -0.001 0.000 0.245 111 V C 2.131 178.174 176.094 -0.085 0.000 1.041 111 V CA 2.124 64.367 62.300 -0.094 0.000 1.040 111 V CB -0.157 31.576 31.823 -0.150 0.000 0.671 111 V HN 0.428 nan 8.190 nan 0.000 0.455 112 I N 0.082 120.574 120.570 -0.129 0.000 2.286 112 I HA -0.102 4.067 4.170 -0.001 0.000 0.245 112 I C -0.298 175.751 176.117 -0.113 0.000 1.104 112 I CA 1.249 62.478 61.300 -0.118 0.000 1.397 112 I CB -1.504 36.379 38.000 -0.194 0.000 1.072 112 I HN 0.338 nan 8.210 nan 0.000 0.417 113 P HA -0.202 nan 4.420 nan 0.000 0.217 113 P C 1.377 178.571 177.300 -0.176 0.000 1.148 113 P CA 1.853 64.760 63.100 -0.323 0.000 0.828 113 P CB 0.017 31.417 31.700 -0.500 0.000 0.783 114 A N -1.290 121.487 122.820 -0.070 0.000 1.874 114 A HA -0.057 4.262 4.320 -0.001 0.000 0.214 114 A C 2.164 179.727 177.584 -0.036 0.000 1.189 114 A CA 1.136 53.136 52.037 -0.062 0.000 0.615 114 A CB -1.386 17.594 19.000 -0.033 0.000 0.830 114 A HN 0.092 nan 8.150 nan 0.000 0.443 115 L N -2.524 118.753 121.223 0.091 0.000 2.068 115 L HA 0.006 4.345 4.340 -0.001 0.000 0.204 115 L C 2.417 179.468 176.870 0.301 0.000 1.076 115 L CA 1.306 56.319 54.840 0.288 0.000 0.753 115 L CB -0.382 41.823 42.059 0.245 0.000 0.910 115 L HN 0.484 nan 8.230 nan 0.000 0.439 116 F N 0.216 120.157 119.950 -0.014 0.000 2.188 116 F HA 0.090 4.616 4.527 -0.001 0.000 0.289 116 F C 2.219 177.913 175.800 -0.177 0.000 1.082 116 F CA 1.332 59.289 58.000 -0.072 0.000 1.282 116 F CB -0.523 38.397 39.000 -0.133 0.000 1.060 116 F HN -0.069 nan 8.300 nan 0.000 0.493 117 G N -0.464 108.153 108.800 -0.305 0.000 2.403 117 G HA2 -0.036 3.923 3.960 -0.001 0.000 0.216 117 G HA3 -0.036 3.923 3.960 -0.001 0.000 0.216 117 G C 1.702 176.343 174.900 -0.432 0.000 1.154 117 G CA 0.678 45.251 45.100 -0.877 0.000 0.784 117 G HN 0.614 nan 8.290 nan 0.000 0.538 118 G N 0.555 109.229 108.800 -0.211 0.000 2.654 118 G HA2 0.090 4.049 3.960 -0.001 0.000 0.215 118 G HA3 0.090 4.049 3.960 -0.001 0.000 0.215 118 G C 1.409 176.270 174.900 -0.064 0.000 1.310 118 G CA 0.484 45.503 45.100 -0.135 0.000 0.866 118 G HN 0.186 nan 8.290 nan 0.000 0.558 119 F N 1.997 122.048 119.950 0.167 0.000 2.216 119 F HA 0.080 4.606 4.527 -0.001 0.000 0.300 119 F C 2.889 178.909 175.800 0.367 0.000 1.085 119 F CA 0.715 58.867 58.000 0.255 0.000 1.326 119 F CB -0.836 38.345 39.000 0.301 0.000 1.027 119 F HN 0.217 nan 8.300 nan 0.000 0.497 120 G N -0.219 108.840 108.800 0.432 0.000 2.418 120 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.217 120 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.217 120 G C 1.761 176.643 174.900 -0.031 0.000 1.158 120 G CA 0.839 46.011 45.100 0.121 0.000 0.771 120 G HN 0.238 nan 8.290 nan 0.000 0.545 121 N N -0.532 118.122 118.700 -0.077 0.000 2.135 121 N HA -0.079 4.660 4.740 -0.001 0.000 0.186 121 N C 1.854 177.382 175.510 0.030 0.000 1.027 121 N CA 0.781 53.798 53.050 -0.055 0.000 0.849 121 N CB -0.403 38.077 38.487 -0.011 0.000 1.002 121 N HN 0.367 nan 8.380 nan 0.000 0.425 122 Y N -0.009 120.235 120.300 -0.093 0.000 2.145 122 Y HA -0.126 4.423 4.550 -0.001 0.000 0.286 122 Y C 1.617 177.211 175.900 -0.510 0.000 1.145 122 Y CA 1.652 59.564 58.100 -0.313 0.000 1.148 122 Y CB -0.273 37.839 38.460 -0.579 0.000 0.981 122 Y HN -0.052 nan 8.280 nan 0.000 0.507 123 F N -2.409 117.543 119.950 0.004 0.000 2.622 123 F HA 0.007 4.533 4.527 -0.001 0.000 0.288 123 F C 2.253 177.813 175.800 -0.400 0.000 1.120 123 F CA 0.320 58.111 58.000 -0.347 0.000 1.423 123 F CB -0.395 38.078 39.000 -0.879 0.000 1.127 123 F HN -0.012 nan 8.300 nan 0.000 0.588 124 M N 1.616 121.258 119.600 0.069 0.000 2.117 124 M HA -0.081 4.398 4.480 -0.001 0.000 0.262 124 M C -1.092 175.189 176.300 -0.032 0.000 1.065 124 M CA 2.187 57.535 55.300 0.080 0.000 1.114 124 M CB -1.612 31.015 32.600 0.046 0.000 1.361 124 M HN -0.084 nan 8.290 nan 0.000 0.408 125 P HA -0.087 nan 4.420 nan 0.000 0.216 125 P C 1.869 179.060 177.300 -0.182 0.000 1.153 125 P CA 1.176 64.092 63.100 -0.307 0.000 0.848 125 P CB -0.247 30.995 31.700 -0.764 0.000 0.787 126 L N -1.435 119.694 121.223 -0.156 0.000 2.012 126 L HA -0.225 4.115 4.340 -0.001 0.000 0.210 126 L C 2.593 179.554 176.870 0.152 0.000 1.073 126 L CA 1.638 56.472 54.840 -0.009 0.000 0.748 126 L CB -1.387 40.671 42.059 -0.002 0.000 0.891 126 L HN 0.118 nan 8.230 nan 0.000 0.431 127 H N 0.151 119.329 119.070 0.180 0.000 2.421 127 H HA -0.105 4.451 4.556 -0.001 0.000 0.298 127 H C 2.075 177.483 175.328 0.132 0.000 1.087 127 H CA 1.591 57.782 56.048 0.237 0.000 1.330 127 H CB -0.298 29.698 29.762 0.389 0.000 1.388 127 H HN 0.538 nan 8.280 nan 0.000 0.526 128 I N -3.827 116.838 120.570 0.158 0.000 3.793 128 I HA 0.324 4.493 4.170 -0.001 0.000 0.315 128 I C 1.364 177.464 176.117 -0.029 0.000 1.275 128 I CA 0.622 61.923 61.300 0.001 0.000 1.214 128 I CB 0.299 38.216 38.000 -0.139 0.000 1.018 128 I HN 0.154 nan 8.210 nan 0.000 0.439 129 G N 1.786 110.591 108.800 0.008 0.000 2.160 129 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.244 129 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.244 129 G C 0.291 175.164 174.900 -0.044 0.000 1.022 129 G CA 0.044 45.141 45.100 -0.006 0.000 0.741 129 G HN 0.942 nan 8.290 nan 0.000 0.508 130 A N 0.517 123.289 122.820 -0.080 0.000 2.320 130 A HA 0.761 5.080 4.320 -0.001 0.000 0.287 130 A C 0.043 177.574 177.584 -0.088 0.000 1.181 130 A CA -0.683 51.292 52.037 -0.103 0.000 0.831 130 A CB 0.852 19.763 19.000 -0.148 0.000 1.102 130 A HN 0.149 nan 8.150 nan 0.000 0.513 131 P HA 0.052 nan 4.420 nan 0.000 0.219 131 P C 0.429 177.718 177.300 -0.017 0.000 1.150 131 P CA 1.804 64.891 63.100 -0.021 0.000 0.814 131 P CB 0.280 31.976 31.700 -0.008 0.000 0.787 132 A N -1.369 121.420 122.820 -0.051 0.000 2.593 132 A HA 0.704 5.023 4.320 -0.001 0.000 0.290 132 A C -0.505 177.014 177.584 -0.108 0.000 1.126 132 A CA -0.773 51.240 52.037 -0.041 0.000 0.695 132 A CB 0.872 19.851 19.000 -0.034 0.000 1.290 132 A HN -0.148 nan 8.150 nan 0.000 0.414 133 M N 0.771 120.314 119.600 -0.096 0.000 2.359 133 M HA 0.413 4.892 4.480 -0.001 0.000 0.322 133 M C 1.534 177.740 176.300 -0.157 0.000 1.166 133 M CA 0.000 55.225 55.300 -0.125 0.000 1.067 133 M CB 1.449 34.000 32.600 -0.083 0.000 1.523 133 M HN 0.948 nan 8.290 nan 0.000 0.467 134 A N 1.460 124.132 122.820 -0.247 0.000 1.908 134 A HA -0.090 4.229 4.320 -0.001 0.000 0.218 134 A C 0.560 177.696 177.584 -0.747 0.000 1.181 134 A CA 1.748 53.441 52.037 -0.573 0.000 0.627 134 A CB -0.321 18.207 19.000 -0.785 0.000 0.818 134 A HN 0.654 nan 8.150 nan 0.000 0.445 135 F N -1.662 118.297 119.950 0.014 0.000 2.622 135 F HA 0.369 4.896 4.527 -0.001 0.000 0.338 135 F C -2.141 173.679 175.800 0.034 0.000 1.334 135 F CA -2.132 55.883 58.000 0.026 0.000 1.179 135 F CB 1.152 40.171 39.000 0.033 0.000 1.471 135 F HN 0.009 nan 8.300 nan 0.000 0.576 136 P HA -0.208 nan 4.420 nan 0.000 0.218 136 P C 1.309 178.682 177.300 0.121 0.000 1.148 136 P CA 1.525 64.682 63.100 0.095 0.000 0.822 136 P CB 0.215 31.941 31.700 0.044 0.000 0.784 137 R N -0.663 119.921 120.500 0.141 0.000 2.073 137 R HA 0.028 4.367 4.340 -0.001 0.000 0.229 137 R C 2.306 178.699 176.300 0.155 0.000 1.120 137 R CA 1.222 57.404 56.100 0.137 0.000 0.967 137 R CB -2.099 28.273 30.300 0.121 0.000 0.862 137 R HN 0.169 nan 8.270 nan 0.000 0.436 138 M N 1.069 120.770 119.600 0.168 0.000 2.149 138 M HA -0.131 4.348 4.480 -0.001 0.000 0.261 138 M C 1.430 177.834 176.300 0.175 0.000 1.064 138 M CA 1.834 57.219 55.300 0.143 0.000 1.102 138 M CB -0.167 32.493 32.600 0.101 0.000 1.369 138 M HN 0.227 nan 8.290 nan 0.000 0.408 139 N N 0.695 119.508 118.700 0.188 0.000 2.244 139 N HA -0.168 4.571 4.740 -0.001 0.000 0.183 139 N C 1.321 176.956 175.510 0.208 0.000 1.016 139 N CA 1.601 54.768 53.050 0.195 0.000 0.866 139 N CB -0.375 38.205 38.487 0.155 0.000 0.980 139 N HN 0.506 nan 8.380 nan 0.000 0.430 140 N N -0.407 118.404 118.700 0.185 0.000 2.171 140 N HA -0.087 4.652 4.740 -0.001 0.000 0.184 140 N C 1.607 177.309 175.510 0.319 0.000 1.021 140 N CA 0.656 53.831 53.050 0.208 0.000 0.854 140 N CB -0.269 38.344 38.487 0.209 0.000 0.994 140 N HN 0.164 nan 8.380 nan 0.000 0.426 141 L N 0.783 122.184 121.223 0.297 0.000 1.994 141 L HA -0.115 4.224 4.340 -0.001 0.000 0.208 141 L C 2.393 179.449 176.870 0.309 0.000 1.071 141 L CA 2.293 57.323 54.840 0.315 0.000 0.745 141 L CB -1.462 40.722 42.059 0.208 0.000 0.892 141 L HN 0.408 nan 8.230 nan 0.000 0.431 142 S N -1.204 114.663 115.700 0.277 0.000 2.389 142 S HA -0.389 4.080 4.470 -0.001 0.000 0.231 142 S C 2.169 176.983 174.600 0.356 0.000 1.052 142 S CA 1.836 60.226 58.200 0.316 0.000 1.053 142 S CB -1.542 61.861 63.200 0.337 0.000 0.886 142 S HN 0.630 nan 8.310 nan 0.000 0.456 143 Y N 0.776 121.154 120.300 0.129 0.000 2.181 143 Y HA -0.071 4.478 4.550 -0.001 0.000 0.288 143 Y C 1.940 177.771 175.900 -0.114 0.000 1.146 143 Y CA 1.442 59.416 58.100 -0.210 0.000 1.164 143 Y CB -0.636 37.459 38.460 -0.607 0.000 0.982 143 Y HN 0.347 nan 8.280 nan 0.000 0.515 144 W N -0.024 121.305 121.300 0.048 0.000 2.436 144 W HA -0.081 4.578 4.660 -0.001 0.000 0.284 144 W C 2.142 178.640 176.519 -0.035 0.000 1.225 144 W CA 0.785 58.106 57.345 -0.041 0.000 1.271 144 W CB -0.290 29.213 29.460 0.071 0.000 1.114 144 W HN 0.024 nan 8.180 nan 0.000 0.559 145 L N -0.721 120.659 121.223 0.262 0.000 2.083 145 L HA -0.268 4.071 4.340 -0.001 0.000 0.209 145 L C 2.407 179.422 176.870 0.243 0.000 1.083 145 L CA 1.303 56.278 54.840 0.226 0.000 0.752 145 L CB -1.039 41.158 42.059 0.229 0.000 0.899 145 L HN 0.101 nan 8.230 nan 0.000 0.433 146 Y N -0.119 120.241 120.300 0.101 0.000 2.181 146 Y HA -0.214 4.336 4.550 -0.001 0.000 0.288 146 Y C 2.392 178.308 175.900 0.026 0.000 1.146 146 Y CA 1.553 59.739 58.100 0.142 0.000 1.164 146 Y CB -0.588 37.968 38.460 0.161 0.000 0.982 146 Y HN -0.093 nan 8.280 nan 0.000 0.515 147 V N 0.788 120.404 119.914 -0.496 0.000 2.427 147 V HA -0.152 3.967 4.120 -0.001 0.000 0.248 147 V C 2.415 178.384 176.094 -0.208 0.000 1.051 147 V CA 1.847 63.834 62.300 -0.521 0.000 1.048 147 V CB -1.087 30.475 31.823 -0.435 0.000 0.666 147 V HN 0.594 nan 8.190 nan 0.000 0.456 148 A N -0.018 122.777 122.820 -0.041 0.000 1.873 148 A HA 0.004 4.323 4.320 -0.001 0.000 0.215 148 A C 2.378 179.948 177.584 -0.023 0.000 1.186 148 A CA 1.751 53.791 52.037 0.004 0.000 0.616 148 A CB -1.440 17.599 19.000 0.065 0.000 0.823 148 A HN 0.606 nan 8.150 nan 0.000 0.442 149 G N -0.609 108.216 108.800 0.043 0.000 2.491 149 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.218 149 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.218 149 G C 1.594 176.214 174.900 -0.467 0.000 1.180 149 G CA 1.838 46.985 45.100 0.078 0.000 0.774 149 G HN 0.437 nan 8.290 nan 0.000 0.562 150 T N 1.191 115.334 114.554 -0.685 0.000 2.759 150 T HA -0.113 4.236 4.350 -0.001 0.000 0.269 150 T C 2.810 177.241 174.700 -0.449 0.000 1.042 150 T CA 1.576 63.139 62.100 -0.896 0.000 1.140 150 T CB -0.282 68.218 68.868 -0.613 0.000 0.864 150 T HN 0.270 nan 8.240 nan 0.000 0.455 151 S N 1.247 116.791 115.700 -0.260 0.000 2.368 151 S HA 0.077 4.546 4.470 -0.001 0.000 0.224 151 S C 2.033 176.598 174.600 -0.058 0.000 1.029 151 S CA 0.768 58.898 58.200 -0.117 0.000 0.988 151 S CB -0.408 62.751 63.200 -0.069 0.000 0.838 151 S HN 0.365 nan 8.310 nan 0.000 0.462 152 L N 1.059 122.248 121.223 -0.056 0.000 2.056 152 L HA -0.095 4.244 4.340 -0.001 0.000 0.207 152 L C 2.821 179.708 176.870 0.029 0.000 1.078 152 L CA 1.096 55.954 54.840 0.029 0.000 0.749 152 L CB -0.755 41.358 42.059 0.090 0.000 0.901 152 L HN 0.322 nan 8.230 nan 0.000 0.433 153 A N -0.153 122.621 122.820 -0.076 0.000 1.883 153 A HA -0.168 4.151 4.320 -0.001 0.000 0.217 153 A C 2.310 179.917 177.584 0.038 0.000 1.186 153 A CA 1.932 53.948 52.037 -0.034 0.000 0.624 153 A CB -0.845 18.043 19.000 -0.187 0.000 0.822 153 A HN 0.201 nan 8.150 nan 0.000 0.444 154 V N -0.250 119.680 119.914 0.026 0.000 2.427 154 V HA -0.203 3.917 4.120 -0.001 0.000 0.248 154 V C 3.022 179.273 176.094 0.262 0.000 1.051 154 V CA 1.758 64.150 62.300 0.153 0.000 1.048 154 V CB -1.169 30.736 31.823 0.137 0.000 0.666 154 V HN 0.623 nan 8.190 nan 0.000 0.456 155 A N 0.842 123.778 122.820 0.194 0.000 1.902 155 A HA -0.225 4.094 4.320 -0.001 0.000 0.217 155 A C 2.570 180.288 177.584 0.224 0.000 1.181 155 A CA 2.230 54.410 52.037 0.238 0.000 0.623 155 A CB -0.827 18.267 19.000 0.156 0.000 0.818 155 A HN 0.690 nan 8.150 nan 0.000 0.443 156 S N 0.218 116.004 115.700 0.143 0.000 2.419 156 S HA -0.135 4.335 4.470 -0.001 0.000 0.235 156 S C 1.789 176.397 174.600 0.014 0.000 1.019 156 S CA 1.513 59.764 58.200 0.086 0.000 0.982 156 S CB -0.810 62.435 63.200 0.075 0.000 0.789 156 S HN 0.477 nan 8.310 nan 0.000 0.490 157 L N -1.066 120.135 121.223 -0.037 0.000 2.265 157 L HA 0.073 4.412 4.340 -0.001 0.000 0.215 157 L C 1.500 178.081 176.870 -0.483 0.000 1.117 157 L CA 1.120 55.781 54.840 -0.298 0.000 0.782 157 L CB -0.460 41.322 42.059 -0.462 0.000 0.914 157 L HN 0.323 nan 8.230 nan 0.000 0.441 158 F N -0.597 119.374 119.950 0.035 0.000 2.682 158 F HA 0.367 4.894 4.527 -0.001 0.000 0.308 158 F C 1.154 176.956 175.800 0.003 0.000 1.093 158 F CA -0.520 57.497 58.000 0.028 0.000 1.244 158 F CB -0.012 39.010 39.000 0.037 0.000 1.052 158 F HN -0.160 nan 8.300 nan 0.000 0.573 159 A N 0.838 123.709 122.820 0.085 0.000 2.304 159 A HA 0.583 4.903 4.320 -0.001 0.000 0.301 159 A C -2.422 175.028 177.584 -0.223 0.000 1.132 159 A CA -1.702 50.286 52.037 -0.082 0.000 0.819 159 A CB -0.090 18.847 19.000 -0.105 0.000 1.094 159 A HN -0.124 nan 8.150 nan 0.000 0.492 160 P HA 0.160 nan 4.420 nan 0.000 0.258 160 P C 0.521 177.650 177.300 -0.284 0.000 1.172 160 P CA 1.107 64.026 63.100 -0.301 0.000 0.762 160 P CB 0.685 32.187 31.700 -0.330 0.000 0.764 161 G N 2.349 111.067 108.800 -0.137 0.000 3.214 161 G HA2 0.590 4.550 3.960 -0.001 0.000 0.188 161 G HA3 0.590 4.550 3.960 -0.001 0.000 0.188 161 G C -0.200 174.661 174.900 -0.067 0.000 1.126 161 G CA -0.385 44.677 45.100 -0.064 0.000 0.796 161 G HN 0.553 nan 8.290 nan 0.000 0.631 162 G N -0.540 108.262 108.800 0.003 0.000 2.483 162 G HA2 0.364 4.323 3.960 -0.001 0.000 0.248 162 G HA3 0.364 4.323 3.960 -0.001 0.000 0.248 162 G C 0.367 175.039 174.900 -0.379 0.000 1.248 162 G CA 0.514 45.573 45.100 -0.068 0.000 0.838 162 G HN 0.819 nan 8.290 nan 0.000 0.566 163 N N -0.217 118.360 118.700 -0.206 0.000 2.714 163 N HA -0.229 4.511 4.740 -0.001 0.000 0.250 163 N C 1.369 176.764 175.510 -0.193 0.000 1.117 163 N CA 1.771 54.703 53.050 -0.196 0.000 0.719 163 N CB -1.285 37.072 38.487 -0.218 0.000 1.081 163 N HN 1.959 nan 8.380 nan 0.000 0.557 164 G N -0.529 108.177 108.800 -0.158 0.000 2.198 164 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.260 164 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.260 164 G C 0.036 174.860 174.900 -0.126 0.000 1.025 164 G CA 1.151 46.185 45.100 -0.111 0.000 0.769 164 G HN 0.611 nan 8.290 nan 0.000 0.507 165 Q N -1.572 118.099 119.800 -0.216 0.000 2.712 165 Q HA 0.775 5.114 4.340 -0.001 0.000 0.267 165 Q C 0.463 176.415 176.000 -0.079 0.000 1.062 165 Q CA -1.105 54.606 55.803 -0.154 0.000 0.888 165 Q CB 1.207 29.812 28.738 -0.223 0.000 1.374 165 Q HN 0.292 nan 8.270 nan 0.000 0.498 166 L N 0.352 121.584 121.223 0.015 0.000 2.357 166 L HA 0.689 5.028 4.340 -0.001 0.000 0.273 166 L C 0.452 177.386 176.870 0.107 0.000 1.080 166 L CA -0.327 54.528 54.840 0.025 0.000 0.803 166 L CB 0.918 42.990 42.059 0.021 0.000 1.174 166 L HN 0.862 nan 8.230 nan 0.000 0.443 167 G N 1.489 110.314 108.800 0.042 0.000 2.690 167 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.686 167 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.686 167 G C -0.746 174.201 174.900 0.078 0.000 1.277 167 G CA -0.879 44.229 45.100 0.013 0.000 0.799 167 G HN 0.531 nan 8.290 nan 0.000 0.613 168 S N 0.204 115.901 115.700 -0.006 0.000 2.422 168 S HA 0.609 5.079 4.470 -0.001 0.000 0.308 168 S C 0.797 175.349 174.600 -0.080 0.000 1.097 168 S CA 0.215 58.417 58.200 0.005 0.000 1.099 168 S CB 1.711 64.916 63.200 0.009 0.000 0.976 168 S HN 1.747 nan 8.310 nan 0.000 0.471 169 G N 2.303 111.042 108.800 -0.102 0.000 3.964 169 G HA2 0.451 4.411 3.960 -0.001 0.000 0.289 169 G HA3 0.451 4.411 3.960 -0.001 0.000 0.289 169 G C 0.485 175.375 174.900 -0.018 0.000 1.176 169 G CA -0.562 44.445 45.100 -0.156 0.000 1.553 169 G HN 0.849 nan 8.290 nan 0.000 0.588 170 I N -1.749 118.818 120.570 -0.005 0.000 4.338 170 I HA 0.523 4.692 4.170 -0.001 0.000 0.329 170 I C 0.768 176.882 176.117 -0.006 0.000 1.378 170 I CA -0.179 61.124 61.300 0.006 0.000 1.170 170 I CB 0.368 38.366 38.000 -0.004 0.000 1.206 170 I HN 0.388 nan 8.210 nan 0.000 0.432 171 G N 2.303 111.117 108.800 0.022 0.000 2.728 171 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.686 171 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.686 171 G C 0.088 175.019 174.900 0.052 0.000 1.337 171 G CA 0.004 45.127 45.100 0.039 0.000 0.861 171 G HN 0.674 nan 8.290 nan 0.000 0.597 172 W N 1.267 122.553 121.300 -0.024 0.000 2.468 172 W HA 0.004 4.663 4.660 -0.001 0.000 0.262 172 W C 1.440 177.967 176.519 0.013 0.000 1.241 172 W CA 1.919 59.269 57.345 0.008 0.000 1.232 172 W CB -1.100 28.353 29.460 -0.011 0.000 1.124 172 W HN 1.114 nan 8.180 nan 0.000 0.597 173 V N -0.394 119.097 119.914 -0.705 0.000 3.647 173 V HA 0.176 4.295 4.120 -0.001 0.000 0.279 173 V C 1.360 177.354 176.094 -0.167 0.000 1.314 173 V CA 0.133 61.987 62.300 -0.742 0.000 1.125 173 V CB -1.203 30.010 31.823 -1.016 0.000 0.907 173 V HN 0.186 nan 8.190 nan 0.000 0.434 174 L N -1.413 119.740 121.223 -0.118 0.000 3.660 174 L HA -0.218 4.121 4.340 -0.001 0.000 0.440 174 L C -0.140 176.656 176.870 -0.124 0.000 1.262 174 L CA 0.093 54.886 54.840 -0.079 0.000 0.837 174 L CB -2.744 39.260 42.059 -0.092 0.000 1.689 174 L HN 0.317 nan 8.230 nan 0.000 0.890 175 Y N 1.358 121.524 120.300 -0.225 0.000 2.717 175 Y HA 0.226 4.775 4.550 -0.001 0.000 0.330 175 Y C -1.161 174.537 175.900 -0.336 0.000 1.217 175 Y CA -2.153 55.786 58.100 -0.269 0.000 1.506 175 Y CB 0.036 38.456 38.460 -0.067 0.000 1.268 175 Y HN 0.122 nan 8.280 nan 0.000 0.561 176 P HA 0.255 nan 4.420 nan 0.000 0.280 176 P C -2.328 174.934 177.300 -0.065 0.000 1.272 176 P CA -2.075 60.901 63.100 -0.206 0.000 0.819 176 P CB 1.219 32.757 31.700 -0.270 0.000 1.122 177 P HA -0.023 nan 4.420 nan 0.000 0.234 177 P C 1.535 178.845 177.300 0.016 0.000 1.167 177 P CA 0.250 63.366 63.100 0.027 0.000 0.763 177 P CB -0.168 31.562 31.700 0.050 0.000 0.835 178 L N 0.774 122.010 121.223 0.021 0.000 2.012 178 L HA -0.213 4.126 4.340 -0.001 0.000 0.210 178 L C 2.265 179.136 176.870 0.002 0.000 1.073 178 L CA 2.560 57.416 54.840 0.026 0.000 0.748 178 L CB -1.379 40.708 42.059 0.046 0.000 0.891 178 L HN 0.037 nan 8.230 nan 0.000 0.431 179 S N -2.267 113.410 115.700 -0.038 0.000 2.406 179 S HA -0.155 4.314 4.470 -0.001 0.000 0.228 179 S C 1.850 176.423 174.600 -0.044 0.000 1.020 179 S CA 1.180 59.344 58.200 -0.060 0.000 0.965 179 S CB -1.386 61.734 63.200 -0.134 0.000 0.798 179 S HN 0.668 nan 8.310 nan 0.000 0.488 180 T N 0.088 114.621 114.554 -0.034 0.000 3.067 180 T HA 0.097 4.446 4.350 -0.001 0.000 0.261 180 T C 1.813 176.517 174.700 0.007 0.000 1.110 180 T CA 0.891 62.991 62.100 -0.000 0.000 1.113 180 T CB -0.365 68.528 68.868 0.043 0.000 0.917 180 T HN 0.611 nan 8.240 nan 0.000 0.499 181 S N -0.021 115.685 115.700 0.009 0.000 2.511 181 S HA 0.204 4.673 4.470 -0.001 0.000 0.214 181 S C 0.473 175.080 174.600 0.012 0.000 0.997 181 S CA -0.436 57.771 58.200 0.013 0.000 0.908 181 S CB -0.280 62.932 63.200 0.020 0.000 0.803 181 S HN 0.485 nan 8.310 nan 0.000 0.504 182 E N 3.660 123.868 120.200 0.013 0.000 2.493 182 E HA 0.180 4.529 4.350 -0.001 0.000 0.255 182 E C 0.344 176.950 176.600 0.010 0.000 0.999 182 E CA 0.064 56.477 56.400 0.021 0.000 0.934 182 E CB 0.411 30.128 29.700 0.029 0.000 0.940 182 E HN 0.524 nan 8.360 nan 0.000 0.473 183 S N 3.329 119.030 115.700 0.001 0.000 2.608 183 S HA 0.649 5.118 4.470 -0.001 0.000 0.261 183 S C 0.910 175.498 174.600 -0.020 0.000 1.314 183 S CA -0.404 57.791 58.200 -0.009 0.000 0.992 183 S CB 0.928 64.117 63.200 -0.019 0.000 0.935 183 S HN 1.196 nan 8.310 nan 0.000 0.564 184 G N 0.614 109.407 108.800 -0.012 0.000 2.693 184 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.226 184 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.226 184 G C -0.168 174.747 174.900 0.026 0.000 1.354 184 G CA 0.307 45.380 45.100 -0.045 0.000 0.873 184 G HN 1.912 nan 8.290 nan 0.000 0.562 185 Y N -2.350 117.965 120.300 0.024 0.000 2.527 185 Y HA 0.612 5.162 4.550 -0.001 0.000 0.247 185 Y C 2.396 178.319 175.900 0.039 0.000 1.138 185 Y CA 0.870 58.986 58.100 0.027 0.000 1.228 185 Y CB -0.278 38.207 38.460 0.042 0.000 1.252 185 Y HN 0.840 nan 8.280 nan 0.000 0.531 186 S N 0.948 116.558 115.700 -0.150 0.000 2.380 186 S HA -0.256 4.214 4.470 -0.001 0.000 0.229 186 S C 1.799 176.415 174.600 0.027 0.000 1.043 186 S CA 2.629 60.797 58.200 -0.054 0.000 1.038 186 S CB -0.651 62.502 63.200 -0.078 0.000 0.872 186 S HN 0.669 nan 8.310 nan 0.000 0.456 187 T N 1.710 116.273 114.554 0.014 0.000 2.857 187 T HA -0.047 4.303 4.350 -0.001 0.000 0.266 187 T C 1.397 176.075 174.700 -0.035 0.000 1.048 187 T CA 1.288 63.385 62.100 -0.005 0.000 1.139 187 T CB -0.435 68.424 68.868 -0.015 0.000 0.874 187 T HN 0.518 nan 8.240 nan 0.000 0.455 188 D N 1.274 121.666 120.400 -0.013 0.000 2.144 188 D HA -0.005 4.634 4.640 -0.001 0.000 0.200 188 D C 2.101 178.328 176.300 -0.122 0.000 0.978 188 D CA 0.772 54.694 54.000 -0.130 0.000 0.833 188 D CB -0.111 40.683 40.800 -0.009 0.000 0.961 188 D HN 0.343 nan 8.370 nan 0.000 0.470 189 L N 0.873 122.180 121.223 0.140 0.000 2.141 189 L HA -0.099 4.240 4.340 -0.001 0.000 0.209 189 L C 2.628 179.591 176.870 0.156 0.000 1.094 189 L CA 0.744 55.735 54.840 0.253 0.000 0.763 189 L CB -0.319 41.894 42.059 0.257 0.000 0.908 189 L HN -0.031 nan 8.230 nan 0.000 0.437 190 A N 0.252 123.112 122.820 0.067 0.000 1.930 190 A HA -0.134 4.185 4.320 -0.001 0.000 0.217 190 A C 2.185 179.758 177.584 -0.018 0.000 1.175 190 A CA 1.205 53.268 52.037 0.044 0.000 0.627 190 A CB -0.500 18.518 19.000 0.030 0.000 0.815 190 A HN 0.329 nan 8.150 nan 0.000 0.443 191 I N -1.557 118.944 120.570 -0.115 0.000 2.252 191 I HA -0.224 3.946 4.170 -0.001 0.000 0.245 191 I C 2.144 178.196 176.117 -0.108 0.000 1.102 191 I CA 1.175 62.346 61.300 -0.215 0.000 1.385 191 I CB -0.359 37.451 38.000 -0.318 0.000 1.064 191 I HN 0.268 nan 8.210 nan 0.000 0.414 192 F N 1.059 121.080 119.950 0.118 0.000 2.146 192 F HA -0.150 4.377 4.527 -0.001 0.000 0.298 192 F C 2.651 178.536 175.800 0.141 0.000 1.096 192 F CA 0.980 59.086 58.000 0.177 0.000 1.275 192 F CB -1.330 37.749 39.000 0.132 0.000 1.008 192 F HN -0.002 nan 8.300 nan 0.000 0.480 193 A N 0.154 123.143 122.820 0.281 0.000 1.903 193 A HA -0.198 4.122 4.320 -0.001 0.000 0.219 193 A C 2.430 180.189 177.584 0.292 0.000 1.191 193 A CA 2.411 54.600 52.037 0.253 0.000 0.638 193 A CB -1.325 17.786 19.000 0.185 0.000 0.823 193 A HN 0.192 nan 8.150 nan 0.000 0.451 194 V N -0.623 119.296 119.914 0.010 0.000 2.427 194 V HA -0.227 3.892 4.120 -0.001 0.000 0.248 194 V C 2.448 178.411 176.094 -0.220 0.000 1.051 194 V CA 1.988 64.055 62.300 -0.387 0.000 1.048 194 V CB -1.053 30.350 31.823 -0.699 0.000 0.666 194 V HN 0.638 nan 8.190 nan 0.000 0.456 195 H N -0.072 118.978 119.070 -0.032 0.000 2.319 195 H HA -0.102 4.453 4.556 -0.001 0.000 0.299 195 H C 2.309 177.682 175.328 0.076 0.000 1.092 195 H CA 1.912 57.980 56.048 0.034 0.000 1.302 195 H CB -0.241 29.604 29.762 0.138 0.000 1.373 195 H HN 0.323 nan 8.280 nan 0.000 0.497 196 L N -0.461 120.925 121.223 0.272 0.000 2.056 196 L HA -0.156 4.184 4.340 -0.001 0.000 0.207 196 L C 2.842 179.866 176.870 0.256 0.000 1.078 196 L CA 1.112 56.095 54.840 0.239 0.000 0.749 196 L CB -0.447 41.753 42.059 0.234 0.000 0.901 196 L HN 0.171 nan 8.230 nan 0.000 0.433 197 S N 0.226 116.092 115.700 0.276 0.000 2.359 197 S HA -0.195 4.274 4.470 -0.001 0.000 0.223 197 S C 2.057 176.744 174.600 0.144 0.000 1.039 197 S CA 1.695 60.025 58.200 0.216 0.000 1.042 197 S CB -0.592 62.551 63.200 -0.096 0.000 0.915 197 S HN 0.532 nan 8.310 nan 0.000 0.439 198 G N 0.505 109.354 108.800 0.082 0.000 2.450 198 G HA2 -0.025 3.934 3.960 -0.001 0.000 0.220 198 G HA3 -0.025 3.934 3.960 -0.001 0.000 0.220 198 G C 1.637 176.599 174.900 0.103 0.000 1.130 198 G CA 1.059 46.205 45.100 0.076 0.000 0.760 198 G HN 0.719 nan 8.290 nan 0.000 0.557 199 A N 0.683 123.581 122.820 0.132 0.000 1.855 199 A HA 0.009 4.328 4.320 -0.001 0.000 0.215 199 A C 2.638 180.307 177.584 0.142 0.000 1.191 199 A CA 2.228 54.339 52.037 0.124 0.000 0.613 199 A CB -1.011 18.066 19.000 0.128 0.000 0.829 199 A HN 0.460 nan 8.150 nan 0.000 0.442 200 S N -0.200 115.614 115.700 0.191 0.000 2.368 200 S HA -0.202 4.267 4.470 -0.001 0.000 0.226 200 S C 2.266 176.985 174.600 0.199 0.000 1.044 200 S CA 2.347 60.691 58.200 0.239 0.000 1.062 200 S CB -0.547 62.850 63.200 0.329 0.000 0.931 200 S HN 0.558 nan 8.310 nan 0.000 0.440 201 S N 1.169 116.954 115.700 0.141 0.000 2.359 201 S HA -0.017 4.453 4.470 -0.001 0.000 0.224 201 S C 1.814 176.453 174.600 0.065 0.000 1.035 201 S CA 1.590 59.830 58.200 0.067 0.000 1.018 201 S CB -0.534 62.659 63.200 -0.011 0.000 0.876 201 S HN 0.554 nan 8.310 nan 0.000 0.448 202 I N 1.324 121.932 120.570 0.062 0.000 2.179 202 I HA -0.198 3.972 4.170 -0.001 0.000 0.242 202 I C 2.138 178.284 176.117 0.048 0.000 1.088 202 I CA 1.109 62.432 61.300 0.039 0.000 1.357 202 I CB -0.391 37.632 38.000 0.037 0.000 1.051 202 I HN 0.238 nan 8.210 nan 0.000 0.409 203 L N 0.308 121.577 121.223 0.075 0.000 2.012 203 L HA -0.175 4.164 4.340 -0.001 0.000 0.210 203 L C 2.734 179.673 176.870 0.115 0.000 1.073 203 L CA 1.758 56.642 54.840 0.072 0.000 0.748 203 L CB -1.371 40.746 42.059 0.097 0.000 0.891 203 L HN 0.344 nan 8.230 nan 0.000 0.431 204 G N -0.313 108.596 108.800 0.181 0.000 2.476 204 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.218 204 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.218 204 G C 1.738 176.793 174.900 0.258 0.000 1.164 204 G CA 1.020 46.262 45.100 0.237 0.000 0.768 204 G HN 0.502 nan 8.290 nan 0.000 0.560 205 A N 0.782 123.756 122.820 0.258 0.000 1.902 205 A HA 0.039 4.358 4.320 -0.001 0.000 0.217 205 A C 2.367 179.959 177.584 0.014 0.000 1.181 205 A CA 1.400 53.538 52.037 0.168 0.000 0.623 205 A CB -0.266 18.737 19.000 0.005 0.000 0.818 205 A HN 0.298 nan 8.150 nan 0.000 0.443 206 I N 0.579 121.149 120.570 0.000 0.000 2.163 206 I HA -0.234 3.935 4.170 -0.001 0.000 0.243 206 I C 2.284 178.475 176.117 0.123 0.000 1.085 206 I CA 1.974 63.264 61.300 -0.016 0.000 1.347 206 I CB -1.633 36.322 38.000 -0.074 0.000 1.044 206 I HN 0.395 nan 8.210 nan 0.000 0.408 207 N N 0.840 119.648 118.700 0.178 0.000 2.120 207 N HA -0.162 4.577 4.740 -0.001 0.000 0.188 207 N C 1.808 177.407 175.510 0.149 0.000 1.024 207 N CA 1.413 54.626 53.050 0.271 0.000 0.852 207 N CB -0.050 38.569 38.487 0.220 0.000 1.003 207 N HN 0.108 nan 8.380 nan 0.000 0.424 208 M N 0.025 119.678 119.600 0.089 0.000 2.086 208 M HA -0.060 4.420 4.480 -0.001 0.000 0.261 208 M C 2.147 178.548 176.300 0.168 0.000 1.067 208 M CA 1.056 56.397 55.300 0.068 0.000 1.116 208 M CB -0.934 31.680 32.600 0.023 0.000 1.348 208 M HN 0.177 nan 8.290 nan 0.000 0.407 209 I N -0.123 120.525 120.570 0.129 0.000 2.315 209 I HA -0.244 3.925 4.170 -0.001 0.000 0.248 209 I C 2.226 178.511 176.117 0.281 0.000 1.117 209 I CA 1.232 62.661 61.300 0.215 0.000 1.404 209 I CB -0.559 37.315 38.000 -0.209 0.000 1.071 209 I HN 0.315 nan 8.210 nan 0.000 0.419 210 T N -0.522 114.150 114.554 0.196 0.000 2.812 210 T HA -0.120 4.230 4.350 -0.001 0.000 0.264 210 T C 1.920 176.663 174.700 0.070 0.000 1.042 210 T CA 1.769 63.968 62.100 0.165 0.000 1.140 210 T CB -0.392 68.617 68.868 0.235 0.000 0.870 210 T HN 0.300 nan 8.240 nan 0.000 0.445 211 T N 1.808 116.390 114.554 0.046 0.000 2.788 211 T HA -0.032 4.317 4.350 -0.001 0.000 0.268 211 T C 1.518 176.217 174.700 -0.002 0.000 1.044 211 T CA 0.928 63.014 62.100 -0.024 0.000 1.139 211 T CB -0.476 68.365 68.868 -0.045 0.000 0.867 211 T HN 0.345 nan 8.240 nan 0.000 0.454 212 F N 1.287 121.189 119.950 -0.080 0.000 2.113 212 F HA 0.069 4.595 4.527 -0.001 0.000 0.297 212 F C 1.888 177.553 175.800 -0.226 0.000 1.103 212 F CA 1.135 59.018 58.000 -0.195 0.000 1.248 212 F CB -0.251 38.585 39.000 -0.273 0.000 0.999 212 F HN 0.018 nan 8.300 nan 0.000 0.475 213 L N 0.205 121.490 121.223 0.103 0.000 2.291 213 L HA -0.130 4.209 4.340 -0.001 0.000 0.214 213 L C 0.296 177.137 176.870 -0.049 0.000 1.120 213 L CA 1.434 56.309 54.840 0.057 0.000 0.799 213 L CB -0.477 41.721 42.059 0.232 0.000 0.925 213 L HN 0.412 nan 8.230 nan 0.000 0.446 214 N N -2.972 115.688 118.700 -0.068 0.000 2.261 214 N HA 0.102 4.842 4.740 -0.001 0.000 0.241 214 N C 0.296 175.748 175.510 -0.097 0.000 1.374 214 N CA -0.020 52.986 53.050 -0.073 0.000 0.802 214 N CB 0.049 38.521 38.487 -0.025 0.000 1.339 214 N HN 0.015 nan 8.380 nan 0.000 0.498 215 M N 0.271 119.793 119.600 -0.131 0.000 2.340 215 M HA 0.226 4.705 4.480 -0.001 0.000 0.345 215 M C -0.378 175.836 176.300 -0.143 0.000 1.008 215 M CA -0.348 54.876 55.300 -0.127 0.000 0.987 215 M CB 0.850 33.373 32.600 -0.129 0.000 1.598 215 M HN 0.183 nan 8.290 nan 0.000 0.569 216 R N 1.063 121.453 120.500 -0.184 0.000 2.390 216 R HA 0.691 5.030 4.340 -0.001 0.000 0.291 216 R C 0.109 176.334 176.300 -0.125 0.000 1.070 216 R CA -0.311 55.678 56.100 -0.185 0.000 1.014 216 R CB 0.507 30.634 30.300 -0.288 0.000 1.007 216 R HN 0.038 nan 8.270 nan 0.000 0.466 217 A N 4.431 127.198 122.820 -0.089 0.000 2.609 217 A HA 0.077 4.397 4.320 -0.001 0.000 0.232 217 A C -1.824 175.726 177.584 -0.056 0.000 1.041 217 A CA -0.710 51.292 52.037 -0.058 0.000 0.753 217 A CB -0.636 18.344 19.000 -0.034 0.000 0.966 217 A HN 0.597 nan 8.150 nan 0.000 0.510 218 P HA 0.244 nan 4.420 nan 0.000 0.262 218 P C 1.126 178.408 177.300 -0.030 0.000 1.182 218 P CA 1.799 64.878 63.100 -0.036 0.000 0.761 218 P CB 0.498 32.182 31.700 -0.026 0.000 0.795 219 G N 2.955 111.736 108.800 -0.032 0.000 2.258 219 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.233 219 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.233 219 G C 0.431 175.315 174.900 -0.027 0.000 1.006 219 G CA -0.397 44.689 45.100 -0.023 0.000 0.620 219 G HN 0.490 nan 8.290 nan 0.000 0.511 220 M N 3.861 123.436 119.600 -0.041 0.000 3.102 220 M HA 0.176 4.655 4.480 -0.001 0.000 0.269 220 M C 1.554 177.813 176.300 -0.069 0.000 1.551 220 M CA 1.040 56.311 55.300 -0.049 0.000 1.629 220 M CB -1.047 31.509 32.600 -0.073 0.000 1.324 220 M HN 0.612 nan 8.290 nan 0.000 0.509 221 T N -0.204 114.329 114.554 -0.035 0.000 2.667 221 T HA 0.094 4.444 4.350 -0.001 0.000 0.305 221 T C 1.149 175.834 174.700 -0.025 0.000 1.022 221 T CA -0.535 61.540 62.100 -0.041 0.000 0.995 221 T CB 1.015 69.868 68.868 -0.024 0.000 1.026 221 T HN 0.580 nan 8.240 nan 0.000 0.527 222 M N 0.343 119.912 119.600 -0.051 0.000 2.159 222 M HA -0.004 4.475 4.480 -0.001 0.000 0.263 222 M C 1.610 178.135 176.300 0.376 0.000 1.063 222 M CA 1.745 57.088 55.300 0.071 0.000 1.110 222 M CB -0.689 31.905 32.600 -0.009 0.000 1.374 222 M HN 0.799 nan 8.290 nan 0.000 0.411 223 H N -1.517 117.757 119.070 0.340 0.000 2.537 223 H HA 0.272 4.827 4.556 -0.001 0.000 0.295 223 H C 1.478 176.889 175.328 0.139 0.000 1.054 223 H CA 0.359 56.624 56.048 0.363 0.000 1.156 223 H CB -0.011 29.884 29.762 0.222 0.000 1.468 223 H HN 0.400 nan 8.280 nan 0.000 0.551 224 K N 0.697 121.245 120.400 0.246 0.000 2.391 224 K HA 0.198 4.518 4.320 -0.001 0.000 0.197 224 K C 0.624 177.340 176.600 0.194 0.000 1.087 224 K CA 0.144 56.494 56.287 0.106 0.000 1.012 224 K CB 0.055 32.586 32.500 0.052 0.000 0.925 224 K HN 0.058 nan 8.250 nan 0.000 0.547 225 V N 3.506 123.625 119.914 0.342 0.000 2.540 225 V HA 0.137 4.256 4.120 -0.001 0.000 0.297 225 V C -2.396 174.067 176.094 0.615 0.000 1.024 225 V CA -1.589 60.912 62.300 0.334 0.000 1.105 225 V CB 0.800 32.664 31.823 0.068 0.000 0.938 225 V HN 0.284 nan 8.190 nan 0.000 0.482 226 P HA 0.135 nan 4.420 nan 0.000 0.269 226 P C 1.002 178.781 177.300 0.799 0.000 1.215 226 P CA -0.152 63.288 63.100 0.568 0.000 0.780 226 P CB 0.594 32.514 31.700 0.367 0.000 0.898 227 L N 0.834 122.540 121.223 0.806 0.000 2.083 227 L HA -0.181 4.158 4.340 -0.001 0.000 0.209 227 L C 2.189 179.462 176.870 0.672 0.000 1.083 227 L CA 1.412 56.663 54.840 0.686 0.000 0.752 227 L CB -0.624 41.739 42.059 0.507 0.000 0.899 227 L HN 0.360 nan 8.230 nan 0.000 0.433 228 F N 0.878 121.137 119.950 0.515 0.000 2.126 228 F HA -0.268 4.258 4.527 -0.001 0.000 0.299 228 F C 2.419 178.482 175.800 0.439 0.000 1.096 228 F CA 1.324 59.509 58.000 0.309 0.000 1.255 228 F CB -0.316 38.700 39.000 0.025 0.000 0.997 228 F HN 0.010 nan 8.300 nan 0.000 0.479 229 A N -0.602 122.530 122.820 0.519 0.000 1.902 229 A HA -0.216 4.103 4.320 -0.001 0.000 0.217 229 A C 2.159 179.917 177.584 0.290 0.000 1.181 229 A CA 1.585 53.837 52.037 0.358 0.000 0.623 229 A CB -1.723 17.558 19.000 0.468 0.000 0.818 229 A HN 0.647 nan 8.150 nan 0.000 0.443 230 W N 0.909 122.426 121.300 0.361 0.000 2.338 230 W HA -0.240 4.419 4.660 -0.001 0.000 0.304 230 W C 3.093 179.719 176.519 0.178 0.000 1.212 230 W CA 2.289 59.798 57.345 0.274 0.000 1.264 230 W CB -0.234 29.393 29.460 0.280 0.000 1.142 230 W HN 0.502 nan 8.180 nan 0.000 0.512 231 S N 0.044 115.967 115.700 0.373 0.000 2.368 231 S HA -0.217 4.253 4.470 -0.001 0.000 0.225 231 S C 1.769 176.432 174.600 0.105 0.000 1.030 231 S CA 1.507 59.840 58.200 0.223 0.000 0.999 231 S CB -0.746 62.570 63.200 0.194 0.000 0.844 231 S HN 0.092 nan 8.310 nan 0.000 0.459 232 I N 0.972 121.505 120.570 -0.061 0.000 2.286 232 I HA -0.050 4.120 4.170 -0.001 0.000 0.248 232 I C 2.262 178.462 176.117 0.140 0.000 1.115 232 I CA 1.055 62.338 61.300 -0.027 0.000 1.392 232 I CB -1.519 36.319 38.000 -0.269 0.000 1.065 232 I HN 0.335 nan 8.210 nan 0.000 0.418 233 F N 1.657 121.548 119.950 -0.099 0.000 2.102 233 F HA -0.173 4.353 4.527 -0.001 0.000 0.298 233 F C 2.437 178.290 175.800 0.087 0.000 1.105 233 F CA 1.468 59.337 58.000 -0.218 0.000 1.239 233 F CB -0.566 37.883 39.000 -0.919 0.000 0.991 233 F HN -0.162 nan 8.300 nan 0.000 0.474 234 V N -0.077 119.883 119.914 0.076 0.000 2.295 234 V HA -0.321 3.798 4.120 -0.001 0.000 0.246 234 V C 2.347 178.493 176.094 0.087 0.000 1.049 234 V CA 2.396 64.739 62.300 0.072 0.000 1.024 234 V CB -1.384 30.544 31.823 0.174 0.000 0.648 234 V HN 0.408 nan 8.190 nan 0.000 0.447 235 T N 0.667 115.281 114.554 0.100 0.000 2.685 235 T HA -0.294 4.055 4.350 -0.001 0.000 0.268 235 T C 1.996 176.674 174.700 -0.038 0.000 1.034 235 T CA 1.961 64.086 62.100 0.042 0.000 1.149 235 T CB -0.489 68.431 68.868 0.088 0.000 0.860 235 T HN 0.610 nan 8.240 nan 0.000 0.449 236 A N 0.005 122.850 122.820 0.042 0.000 1.930 236 A HA -0.033 4.286 4.320 -0.001 0.000 0.217 236 A C 2.051 179.530 177.584 -0.175 0.000 1.175 236 A CA 1.114 53.124 52.037 -0.044 0.000 0.627 236 A CB -1.015 18.006 19.000 0.035 0.000 0.815 236 A HN 0.678 nan 8.150 nan 0.000 0.443 237 W N 0.305 121.513 121.300 -0.153 0.000 2.388 237 W HA -0.072 4.587 4.660 -0.001 0.000 0.294 237 W C 2.061 178.571 176.519 -0.014 0.000 1.212 237 W CA 1.000 58.266 57.345 -0.131 0.000 1.271 237 W CB -0.289 29.030 29.460 -0.236 0.000 1.126 237 W HN 0.206 nan 8.180 nan 0.000 0.535 238 L N -0.331 121.043 121.223 0.253 0.000 2.017 238 L HA -0.248 4.091 4.340 -0.001 0.000 0.208 238 L C 2.164 179.182 176.870 0.246 0.000 1.073 238 L CA 1.373 56.409 54.840 0.328 0.000 0.745 238 L CB -1.162 41.015 42.059 0.196 0.000 0.894 238 L HN 0.018 nan 8.230 nan 0.000 0.432 239 I N -0.021 120.581 120.570 0.054 0.000 2.194 239 I HA -0.345 3.824 4.170 -0.001 0.000 0.246 239 I C 2.541 178.700 176.117 0.069 0.000 1.093 239 I CA 1.455 62.755 61.300 0.002 0.000 1.355 239 I CB -0.246 37.645 38.000 -0.182 0.000 1.046 239 I HN 0.246 nan 8.210 nan 0.000 0.413 240 L N -0.347 120.900 121.223 0.041 0.000 2.093 240 L HA -0.201 4.138 4.340 -0.001 0.000 0.208 240 L C 2.447 179.380 176.870 0.105 0.000 1.085 240 L CA 0.968 55.828 54.840 0.033 0.000 0.755 240 L CB -0.381 41.642 42.059 -0.060 0.000 0.904 240 L HN 0.329 nan 8.230 nan 0.000 0.435 241 L N -0.646 120.675 121.223 0.165 0.000 2.307 241 L HA 0.110 4.449 4.340 -0.001 0.000 0.211 241 L C 2.364 179.434 176.870 0.333 0.000 1.099 241 L CA 1.515 56.454 54.840 0.165 0.000 0.816 241 L CB -0.362 41.660 42.059 -0.063 0.000 0.952 241 L HN 0.049 nan 8.230 nan 0.000 0.455 242 A N -0.756 122.320 122.820 0.425 0.000 1.861 242 A HA 0.029 4.348 4.320 -0.001 0.000 0.212 242 A C 1.995 179.821 177.584 0.404 0.000 1.199 242 A CA 1.043 53.368 52.037 0.479 0.000 0.613 242 A CB -0.628 18.587 19.000 0.357 0.000 0.846 242 A HN 0.308 nan 8.150 nan 0.000 0.446 243 L N -0.162 121.235 121.223 0.289 0.000 2.141 243 L HA -0.069 4.270 4.340 -0.001 0.000 0.209 243 L C -0.610 176.294 176.870 0.058 0.000 1.094 243 L CA 1.883 56.813 54.840 0.150 0.000 0.763 243 L CB -2.248 39.880 42.059 0.116 0.000 0.908 243 L HN 0.226 nan 8.230 nan 0.000 0.437 244 P HA -0.078 nan 4.420 nan 0.000 0.218 244 P C 2.122 179.443 177.300 0.035 0.000 1.149 244 P CA 0.777 63.910 63.100 0.055 0.000 0.817 244 P CB 0.170 31.905 31.700 0.058 0.000 0.785 245 V N -0.405 119.557 119.914 0.080 0.000 2.379 245 V HA -0.190 3.929 4.120 -0.001 0.000 0.245 245 V C 2.347 178.418 176.094 -0.039 0.000 1.044 245 V CA 1.376 63.702 62.300 0.044 0.000 1.036 245 V CB -1.189 30.740 31.823 0.176 0.000 0.664 245 V HN 0.058 nan 8.190 nan 0.000 0.453 246 L N 1.175 122.343 121.223 -0.091 0.000 2.012 246 L HA -0.109 4.230 4.340 -0.001 0.000 0.210 246 L C 2.494 179.206 176.870 -0.262 0.000 1.073 246 L CA 2.390 57.032 54.840 -0.331 0.000 0.748 246 L CB -0.983 40.570 42.059 -0.843 0.000 0.891 246 L HN 0.215 nan 8.230 nan 0.000 0.431 247 A N -0.274 122.448 122.820 -0.163 0.000 1.903 247 A HA -0.192 4.127 4.320 -0.001 0.000 0.219 247 A C 2.360 179.951 177.584 0.011 0.000 1.191 247 A CA 2.040 54.053 52.037 -0.039 0.000 0.638 247 A CB -1.770 17.284 19.000 0.090 0.000 0.823 247 A HN 0.575 nan 8.150 nan 0.000 0.451 248 G N -0.669 108.115 108.800 -0.025 0.000 2.480 248 G HA2 -0.060 3.899 3.960 -0.001 0.000 0.216 248 G HA3 -0.060 3.899 3.960 -0.001 0.000 0.216 248 G C 1.846 176.720 174.900 -0.044 0.000 1.200 248 G CA 1.989 47.062 45.100 -0.044 0.000 0.782 248 G HN 0.956 nan 8.290 nan 0.000 0.554 249 A N 1.368 124.147 122.820 -0.068 0.000 1.884 249 A HA -0.157 4.162 4.320 -0.001 0.000 0.219 249 A C 2.489 180.165 177.584 0.152 0.000 1.197 249 A CA 2.221 54.259 52.037 0.001 0.000 0.637 249 A CB -0.624 18.223 19.000 -0.255 0.000 0.827 249 A HN 0.891 nan 8.150 nan 0.000 0.450 250 I N -3.885 116.687 120.570 0.003 0.000 2.676 250 I HA -0.061 4.108 4.170 -0.001 0.000 0.259 250 I C 2.195 178.331 176.117 0.031 0.000 1.194 250 I CA 1.942 63.226 61.300 -0.027 0.000 1.473 250 I CB -0.732 37.105 38.000 -0.271 0.000 1.096 250 I HN 0.233 nan 8.210 nan 0.000 0.443 251 T N 1.067 115.675 114.554 0.090 0.000 2.857 251 T HA 0.001 4.350 4.350 -0.001 0.000 0.266 251 T C 1.878 176.660 174.700 0.137 0.000 1.048 251 T CA 1.386 63.587 62.100 0.168 0.000 1.139 251 T CB -0.192 68.786 68.868 0.183 0.000 0.874 251 T HN 0.333 nan 8.240 nan 0.000 0.455 252 M N 0.476 120.123 119.600 0.078 0.000 2.149 252 M HA -0.013 4.466 4.480 -0.001 0.000 0.261 252 M C 2.208 178.657 176.300 0.248 0.000 1.064 252 M CA 1.479 56.799 55.300 0.034 0.000 1.102 252 M CB -0.492 31.979 32.600 -0.216 0.000 1.369 252 M HN 0.260 nan 8.290 nan 0.000 0.408 253 L N -0.276 121.139 121.223 0.319 0.000 2.017 253 L HA -0.221 4.118 4.340 -0.001 0.000 0.208 253 L C 2.517 179.460 176.870 0.122 0.000 1.073 253 L CA 0.959 55.931 54.840 0.219 0.000 0.745 253 L CB -0.673 41.422 42.059 0.060 0.000 0.894 253 L HN 0.295 nan 8.230 nan 0.000 0.432 254 L N -0.181 121.103 121.223 0.103 0.000 2.141 254 L HA -0.170 4.170 4.340 -0.001 0.000 0.209 254 L C 2.698 179.668 176.870 0.166 0.000 1.094 254 L CA 2.203 57.089 54.840 0.076 0.000 0.763 254 L CB -0.493 41.609 42.059 0.073 0.000 0.908 254 L HN 0.423 nan 8.230 nan 0.000 0.437 255 T N -5.412 109.303 114.554 0.269 0.000 2.942 255 T HA -0.084 4.266 4.350 -0.001 0.000 0.265 255 T C 1.604 176.420 174.700 0.194 0.000 1.062 255 T CA 0.942 63.261 62.100 0.364 0.000 1.139 255 T CB -0.448 68.651 68.868 0.385 0.000 0.883 255 T HN 0.189 nan 8.240 nan 0.000 0.468 256 D N 1.340 121.832 120.400 0.153 0.000 2.178 256 D HA 0.026 4.665 4.640 -0.001 0.000 0.202 256 D C 2.461 178.781 176.300 0.033 0.000 0.974 256 D CA 0.760 54.805 54.000 0.075 0.000 0.841 256 D CB -0.088 40.775 40.800 0.106 0.000 0.953 256 D HN 0.465 nan 8.370 nan 0.000 0.478 257 R N -0.189 120.322 120.500 0.019 0.000 2.075 257 R HA 0.111 4.450 4.340 -0.001 0.000 0.226 257 R C 1.377 177.616 176.300 -0.102 0.000 1.114 257 R CA 0.850 56.930 56.100 -0.033 0.000 0.972 257 R CB 0.026 30.301 30.300 -0.042 0.000 0.869 257 R HN 0.182 nan 8.270 nan 0.000 0.437 258 N N -0.825 117.755 118.700 -0.199 0.000 2.445 258 N HA 0.066 4.805 4.740 -0.001 0.000 0.204 258 N C 0.210 175.366 175.510 -0.589 0.000 1.098 258 N CA 0.532 53.292 53.050 -0.484 0.000 0.859 258 N CB 0.643 38.642 38.487 -0.814 0.000 1.249 258 N HN 0.060 nan 8.380 nan 0.000 0.462 259 F N 0.522 120.487 119.950 0.025 0.000 2.791 259 F HA 0.404 4.930 4.527 -0.001 0.000 0.308 259 F C 1.415 177.208 175.800 -0.012 0.000 1.138 259 F CA -0.561 57.448 58.000 0.015 0.000 1.294 259 F CB 0.350 39.369 39.000 0.031 0.000 0.975 259 F HN -0.026 nan 8.300 nan 0.000 0.512 260 G N 1.028 109.870 108.800 0.069 0.000 2.180 260 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.263 260 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.263 260 G C 0.540 175.417 174.900 -0.037 0.000 0.989 260 G CA 0.678 45.786 45.100 0.013 0.000 0.692 260 G HN 0.519 nan 8.290 nan 0.000 0.526 261 T N -3.290 111.236 114.554 -0.047 0.000 2.766 261 T HA 0.546 4.895 4.350 -0.001 0.000 0.295 261 T C 0.766 175.310 174.700 -0.260 0.000 1.024 261 T CA 0.767 62.725 62.100 -0.236 0.000 1.018 261 T CB 2.040 70.721 68.868 -0.312 0.000 1.002 261 T HN 0.620 nan 8.240 nan 0.000 0.532 262 T N 0.210 114.497 114.554 -0.446 0.000 3.571 262 T HA 0.300 4.649 4.350 -0.001 0.000 0.292 262 T C 0.456 174.969 174.700 -0.312 0.000 0.994 262 T CA -0.617 61.315 62.100 -0.280 0.000 0.996 262 T CB -0.857 67.902 68.868 -0.183 0.000 1.185 262 T HN 0.489 nan 8.240 nan 0.000 0.482 263 F N 0.611 120.361 119.950 -0.333 0.000 2.161 263 F HA 0.104 4.631 4.527 -0.001 0.000 0.300 263 F C 1.100 176.618 175.800 -0.471 0.000 1.089 263 F CA 1.221 58.881 58.000 -0.566 0.000 1.282 263 F CB -0.200 38.147 39.000 -1.087 0.000 1.010 263 F HN 0.398 nan 8.300 nan 0.000 0.485 264 F N -1.262 118.803 119.950 0.192 0.000 2.724 264 F HA 0.279 4.805 4.527 -0.001 0.000 0.310 264 F C 0.077 175.912 175.800 0.057 0.000 1.107 264 F CA -0.722 57.346 58.000 0.113 0.000 1.218 264 F CB -0.488 38.559 39.000 0.077 0.000 1.042 264 F HN -0.241 nan 8.300 nan 0.000 0.540 265 Q N 1.534 121.417 119.800 0.138 0.000 2.347 265 Q HA 0.313 4.652 4.340 -0.001 0.000 0.262 265 Q C -2.113 173.921 176.000 0.057 0.000 0.980 265 Q CA -2.124 53.728 55.803 0.082 0.000 0.867 265 Q CB 1.602 30.362 28.738 0.036 0.000 1.242 265 Q HN 0.045 nan 8.270 nan 0.000 0.453 266 P HA -0.163 nan 4.420 nan 0.000 0.220 266 P C 1.271 178.589 177.300 0.030 0.000 1.148 266 P CA 1.268 64.399 63.100 0.052 0.000 0.803 266 P CB 0.299 32.031 31.700 0.055 0.000 0.782 267 S N -1.357 114.356 115.700 0.022 0.000 2.474 267 S HA -0.012 4.457 4.470 -0.001 0.000 0.235 267 S C 1.901 176.498 174.600 -0.004 0.000 0.997 267 S CA 1.161 59.367 58.200 0.009 0.000 0.949 267 S CB -1.415 61.789 63.200 0.008 0.000 0.766 267 S HN 0.231 nan 8.310 nan 0.000 0.517 268 G N -0.571 108.221 108.800 -0.014 0.000 3.393 268 G HA2 0.494 4.453 3.960 -0.001 0.000 0.255 268 G HA3 0.494 4.453 3.960 -0.001 0.000 0.255 268 G C 0.898 175.776 174.900 -0.036 0.000 1.097 268 G CA -0.054 45.023 45.100 -0.038 0.000 0.780 268 G HN 1.259 nan 8.290 nan 0.000 0.540 269 G N -0.992 107.804 108.800 -0.007 0.000 2.175 269 G HA2 -0.030 3.929 3.960 -0.001 0.000 0.244 269 G HA3 -0.030 3.929 3.960 -0.001 0.000 0.244 269 G C 0.822 175.738 174.900 0.027 0.000 0.982 269 G CA 0.183 45.287 45.100 0.007 0.000 0.641 269 G HN 1.023 nan 8.290 nan 0.000 0.527 270 G N -0.621 108.197 108.800 0.030 0.000 2.621 270 G HA2 0.491 4.450 3.960 -0.001 0.000 0.271 270 G HA3 0.491 4.450 3.960 -0.001 0.000 0.271 270 G C -0.667 174.315 174.900 0.135 0.000 1.236 270 G CA 0.596 45.744 45.100 0.080 0.000 0.958 270 G HN 0.543 nan 8.290 nan 0.000 0.512 271 D N -0.880 119.653 120.400 0.221 0.000 2.602 271 D HA 0.372 5.011 4.640 -0.001 0.000 0.245 271 D C -1.910 174.562 176.300 0.288 0.000 1.325 271 D CA -1.722 52.407 54.000 0.215 0.000 0.952 271 D CB 2.144 43.054 40.800 0.184 0.000 1.317 271 D HN -0.031 nan 8.370 nan 0.000 0.577 272 P HA -0.131 nan 4.420 nan 0.000 0.218 272 P C 1.413 178.698 177.300 -0.025 0.000 1.146 272 P CA 0.550 63.697 63.100 0.078 0.000 0.813 272 P CB 0.394 32.115 31.700 0.036 0.000 0.778 273 V N -0.695 119.239 119.914 0.034 0.000 2.626 273 V HA -0.181 3.938 4.120 -0.001 0.000 0.252 273 V C 2.317 178.456 176.094 0.075 0.000 1.067 273 V CA 1.110 63.407 62.300 -0.004 0.000 1.081 273 V CB -1.153 30.694 31.823 0.041 0.000 0.686 273 V HN 0.074 nan 8.190 nan 0.000 0.468 274 L N 0.036 121.379 121.223 0.200 0.000 2.012 274 L HA -0.225 4.115 4.340 -0.001 0.000 0.210 274 L C 2.324 179.277 176.870 0.137 0.000 1.073 274 L CA 2.275 57.283 54.840 0.280 0.000 0.748 274 L CB -0.935 41.353 42.059 0.381 0.000 0.891 274 L HN 0.469 nan 8.230 nan 0.000 0.431 275 Y N 0.195 120.325 120.300 -0.284 0.000 2.165 275 Y HA -0.326 4.223 4.550 -0.001 0.000 0.286 275 Y C 2.547 178.201 175.900 -0.410 0.000 1.155 275 Y CA 2.300 59.989 58.100 -0.685 0.000 1.164 275 Y CB -0.301 37.257 38.460 -1.502 0.000 0.978 275 Y HN 0.404 nan 8.280 nan 0.000 0.513 276 Q N -1.081 118.503 119.800 -0.360 0.000 2.084 276 Q HA -0.238 4.102 4.340 -0.001 0.000 0.202 276 Q C 2.116 178.041 176.000 -0.125 0.000 0.978 276 Q CA 1.527 57.119 55.803 -0.352 0.000 0.844 276 Q CB -0.364 28.189 28.738 -0.307 0.000 0.898 276 Q HN 0.634 nan 8.270 nan 0.000 0.426 277 H N 0.431 119.508 119.070 0.011 0.000 2.319 277 H HA -0.121 4.434 4.556 -0.001 0.000 0.299 277 H C 2.194 177.425 175.328 -0.161 0.000 1.092 277 H CA 1.476 57.594 56.048 0.117 0.000 1.302 277 H CB -0.179 29.688 29.762 0.176 0.000 1.373 277 H HN 0.255 nan 8.280 nan 0.000 0.497 278 I N 0.273 120.774 120.570 -0.115 0.000 2.202 278 I HA -0.253 3.917 4.170 -0.001 0.000 0.242 278 I C 2.769 178.718 176.117 -0.280 0.000 1.091 278 I CA 0.786 61.950 61.300 -0.227 0.000 1.368 278 I CB -0.328 37.538 38.000 -0.225 0.000 1.058 278 I HN 0.070 nan 8.210 nan 0.000 0.410 279 L N 0.303 121.176 121.223 -0.583 0.000 1.990 279 L HA -0.216 4.124 4.340 -0.001 0.000 0.213 279 L C 2.251 178.890 176.870 -0.386 0.000 1.072 279 L CA 2.056 56.502 54.840 -0.657 0.000 0.755 279 L CB -0.499 40.867 42.059 -1.155 0.000 0.889 279 L HN 0.208 nan 8.230 nan 0.000 0.432 280 W N -1.676 119.532 121.300 -0.154 0.000 2.519 280 W HA -0.131 4.528 4.660 -0.001 0.000 0.266 280 W C 2.237 178.726 176.519 -0.050 0.000 1.253 280 W CA 0.400 57.701 57.345 -0.075 0.000 1.274 280 W CB -0.258 29.238 29.460 0.060 0.000 1.114 280 W HN 0.186 nan 8.180 nan 0.000 0.596 281 F N -0.119 119.722 119.950 -0.181 0.000 2.216 281 F HA -0.225 4.301 4.527 -0.001 0.000 0.300 281 F C 2.200 177.986 175.800 -0.023 0.000 1.085 281 F CA 1.715 59.538 58.000 -0.294 0.000 1.326 281 F CB -0.525 38.161 39.000 -0.523 0.000 1.027 281 F HN -0.028 nan 8.300 nan 0.000 0.497 282 F N 0.002 119.950 119.950 -0.004 0.000 2.270 282 F HA 0.174 4.700 4.527 -0.001 0.000 0.295 282 F C 2.199 177.944 175.800 -0.092 0.000 1.087 282 F CA 1.393 59.364 58.000 -0.047 0.000 1.365 282 F CB -1.026 37.941 39.000 -0.055 0.000 1.056 282 F HN -0.117 nan 8.300 nan 0.000 0.506 283 G N -0.798 107.778 108.800 -0.374 0.000 2.408 283 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.217 283 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.217 283 G C 1.399 176.184 174.900 -0.193 0.000 1.150 283 G CA 1.097 45.916 45.100 -0.468 0.000 0.776 283 G HN 0.559 nan 8.290 nan 0.000 0.542 284 H N 1.542 120.605 119.070 -0.013 0.000 2.276 284 H HA -0.007 4.549 4.556 -0.001 0.000 0.301 284 H C 0.189 175.444 175.328 -0.122 0.000 1.073 284 H CA 1.650 57.723 56.048 0.042 0.000 1.311 284 H CB -0.414 29.467 29.762 0.199 0.000 1.379 284 H HN 0.238 nan 8.280 nan 0.000 0.494 285 P HA -0.233 nan 4.420 nan 0.000 0.218 285 P C 1.202 178.313 177.300 -0.316 0.000 1.154 285 P CA 2.209 65.121 63.100 -0.314 0.000 0.872 285 P CB -0.080 31.165 31.700 -0.759 0.000 0.790 286 E N 0.109 119.963 120.200 -0.576 0.000 2.147 286 E HA -0.215 4.134 4.350 -0.001 0.000 0.199 286 E C 1.654 177.973 176.600 -0.468 0.000 1.005 286 E CA 2.079 58.105 56.400 -0.624 0.000 0.810 286 E CB -1.181 27.911 29.700 -1.014 0.000 0.736 286 E HN 0.198 nan 8.360 nan 0.000 0.460 287 V N -1.609 117.998 119.914 -0.512 0.000 2.591 287 V HA -0.107 4.013 4.120 -0.001 0.000 0.249 287 V C 1.892 177.643 176.094 -0.572 0.000 1.053 287 V CA 1.472 63.422 62.300 -0.583 0.000 1.068 287 V CB -1.050 30.352 31.823 -0.700 0.000 0.689 287 V HN 0.250 nan 8.190 nan 0.000 0.462 288 Y N 0.584 120.740 120.300 -0.240 0.000 2.314 288 Y HA 0.170 4.719 4.550 -0.001 0.000 0.293 288 Y C 2.358 178.149 175.900 -0.183 0.000 1.129 288 Y CA 1.445 59.456 58.100 -0.149 0.000 1.201 288 Y CB -0.553 37.887 38.460 -0.032 0.000 0.999 288 Y HN 0.181 nan 8.280 nan 0.000 0.541 289 I N -0.373 120.136 120.570 -0.101 0.000 2.264 289 I HA -0.320 3.849 4.170 -0.001 0.000 0.248 289 I C 2.056 178.062 176.117 -0.186 0.000 1.111 289 I CA 1.470 62.674 61.300 -0.161 0.000 1.382 289 I CB -0.374 37.491 38.000 -0.225 0.000 1.060 289 I HN 0.197 nan 8.210 nan 0.000 0.418 290 I N -0.493 119.937 120.570 -0.234 0.000 2.226 290 I HA -0.255 3.914 4.170 -0.001 0.000 0.245 290 I C 2.452 178.464 176.117 -0.176 0.000 1.100 290 I CA 1.233 62.403 61.300 -0.216 0.000 1.374 290 I CB -0.171 37.661 38.000 -0.279 0.000 1.057 290 I HN 0.069 nan 8.210 nan 0.000 0.413 291 V N 0.431 120.202 119.914 -0.238 0.000 2.825 291 V HA -0.058 4.061 4.120 -0.001 0.000 0.246 291 V C 2.193 177.957 176.094 -0.550 0.000 1.068 291 V CA 0.832 62.933 62.300 -0.333 0.000 1.088 291 V CB 0.197 31.809 31.823 -0.353 0.000 0.733 291 V HN 0.259 nan 8.190 nan 0.000 0.468 292 L N 0.594 121.558 121.223 -0.432 0.000 1.997 292 L HA -0.168 4.171 4.340 -0.001 0.000 0.216 292 L C -0.037 176.819 176.870 -0.024 0.000 1.074 292 L CA 2.321 56.999 54.840 -0.270 0.000 0.763 292 L CB -1.890 40.159 42.059 -0.016 0.000 0.890 292 L HN 0.339 nan 8.230 nan 0.000 0.434 293 P HA -0.185 nan 4.420 nan 0.000 0.218 293 P C 1.312 178.769 177.300 0.261 0.000 1.148 293 P CA 1.769 64.975 63.100 0.177 0.000 0.822 293 P CB -0.038 31.799 31.700 0.230 0.000 0.784 294 A N -1.472 121.400 122.820 0.086 0.000 1.969 294 A HA -0.165 4.155 4.320 -0.001 0.000 0.218 294 A C 1.859 179.416 177.584 -0.045 0.000 1.169 294 A CA 1.123 53.156 52.037 -0.006 0.000 0.635 294 A CB -1.572 17.411 19.000 -0.027 0.000 0.810 294 A HN 0.017 nan 8.150 nan 0.000 0.445 295 F N 0.584 120.515 119.950 -0.031 0.000 2.095 295 F HA -0.108 4.419 4.527 -0.001 0.000 0.298 295 F C 2.673 178.594 175.800 0.202 0.000 1.104 295 F CA 0.625 58.695 58.000 0.117 0.000 1.232 295 F CB -1.541 37.655 39.000 0.326 0.000 0.987 295 F HN 0.272 nan 8.300 nan 0.000 0.475 296 G N 0.391 109.470 108.800 0.464 0.000 2.491 296 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.218 296 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.218 296 G C 1.914 177.005 174.900 0.318 0.000 1.180 296 G CA 1.159 46.556 45.100 0.494 0.000 0.774 296 G HN 0.363 nan 8.290 nan 0.000 0.562 297 I N 0.308 120.984 120.570 0.176 0.000 2.163 297 I HA -0.190 3.979 4.170 -0.001 0.000 0.243 297 I C 2.825 178.742 176.117 -0.334 0.000 1.085 297 I CA 0.616 61.778 61.300 -0.229 0.000 1.347 297 I CB -0.351 37.463 38.000 -0.310 0.000 1.044 297 I HN 0.042 nan 8.210 nan 0.000 0.408 298 V N 0.198 119.884 119.914 -0.380 0.000 2.287 298 V HA -0.316 3.803 4.120 -0.001 0.000 0.248 298 V C 2.551 178.424 176.094 -0.368 0.000 1.053 298 V CA 2.293 64.228 62.300 -0.609 0.000 1.027 298 V CB -0.684 30.407 31.823 -1.219 0.000 0.646 298 V HN 0.391 nan 8.190 nan 0.000 0.447 299 S N -1.461 114.266 115.700 0.045 0.000 2.359 299 S HA -0.240 4.229 4.470 -0.001 0.000 0.224 299 S C 1.822 176.551 174.600 0.215 0.000 1.035 299 S CA 1.663 60.083 58.200 0.367 0.000 1.018 299 S CB -0.495 63.050 63.200 0.574 0.000 0.876 299 S HN 0.706 nan 8.310 nan 0.000 0.448 300 H N -0.164 118.889 119.070 -0.029 0.000 2.353 300 H HA -0.025 4.530 4.556 -0.001 0.000 0.300 300 H C 2.215 177.281 175.328 -0.436 0.000 1.090 300 H CA 1.471 57.446 56.048 -0.122 0.000 1.327 300 H CB -0.122 29.603 29.762 -0.061 0.000 1.383 300 H HN 0.212 nan 8.280 nan 0.000 0.508 301 V N 1.188 120.761 119.914 -0.570 0.000 2.358 301 V HA -0.221 3.898 4.120 -0.001 0.000 0.246 301 V C 2.508 178.441 176.094 -0.267 0.000 1.047 301 V CA 1.438 63.296 62.300 -0.737 0.000 1.035 301 V CB -0.352 31.030 31.823 -0.734 0.000 0.658 301 V HN 0.323 nan 8.190 nan 0.000 0.452 302 I N 0.313 120.763 120.570 -0.200 0.000 2.202 302 I HA -0.188 3.981 4.170 -0.001 0.000 0.242 302 I C 2.736 178.836 176.117 -0.028 0.000 1.091 302 I CA 1.325 62.575 61.300 -0.083 0.000 1.368 302 I CB -0.668 37.296 38.000 -0.060 0.000 1.058 302 I HN 0.278 nan 8.210 nan 0.000 0.410 303 A N 0.575 123.389 122.820 -0.009 0.000 1.903 303 A HA -0.276 4.043 4.320 -0.001 0.000 0.219 303 A C 2.374 179.909 177.584 -0.083 0.000 1.191 303 A CA 2.823 54.856 52.037 -0.006 0.000 0.638 303 A CB -1.247 17.767 19.000 0.023 0.000 0.823 303 A HN 0.415 nan 8.150 nan 0.000 0.451 304 T N -1.144 113.307 114.554 -0.172 0.000 2.737 304 T HA -0.062 4.288 4.350 -0.001 0.000 0.265 304 T C 1.335 175.753 174.700 -0.469 0.000 1.038 304 T CA 1.654 63.545 62.100 -0.348 0.000 1.144 304 T CB -0.353 68.205 68.868 -0.517 0.000 0.866 304 T HN 0.443 nan 8.240 nan 0.000 0.434 305 F N 0.622 120.439 119.950 -0.222 0.000 2.754 305 F HA 0.439 4.965 4.527 -0.001 0.000 0.297 305 F C 2.197 177.899 175.800 -0.163 0.000 1.122 305 F CA -0.179 57.694 58.000 -0.211 0.000 1.400 305 F CB -0.108 38.724 39.000 -0.280 0.000 1.117 305 F HN 0.096 nan 8.300 nan 0.000 0.587 306 A N -0.112 122.695 122.820 -0.022 0.000 2.251 306 A HA 0.061 4.381 4.320 -0.001 0.000 0.209 306 A C 1.155 178.641 177.584 -0.163 0.000 1.187 306 A CA -0.029 51.973 52.037 -0.059 0.000 0.823 306 A CB -0.506 18.482 19.000 -0.020 0.000 0.846 306 A HN 0.281 nan 8.150 nan 0.000 0.486 307 K N -0.953 119.292 120.400 -0.258 0.000 3.156 307 K HA -0.206 4.113 4.320 -0.001 0.000 0.266 307 K C -0.331 175.753 176.600 -0.860 0.000 0.966 307 K CA 1.329 57.232 56.287 -0.639 0.000 0.719 307 K CB -1.382 30.810 32.500 -0.513 0.000 1.333 307 K HN 0.644 nan 8.250 nan 0.000 0.468 308 K N 0.067 120.246 120.400 -0.369 0.000 2.542 308 K HA 0.352 4.671 4.320 -0.001 0.000 0.259 308 K C -2.946 173.658 176.600 0.007 0.000 0.932 308 K CA -1.979 54.223 56.287 -0.143 0.000 0.820 308 K CB 2.101 34.567 32.500 -0.057 0.000 1.345 308 K HN -0.303 nan 8.250 nan 0.000 0.432 309 P HA 0.103 nan 4.420 nan 0.000 0.272 309 P C -0.545 176.823 177.300 0.113 0.000 1.230 309 P CA -0.551 62.599 63.100 0.083 0.000 0.788 309 P CB 0.402 32.141 31.700 0.064 0.000 0.949 310 I N 2.370 123.021 120.570 0.135 0.000 2.668 310 I HA 0.031 4.200 4.170 -0.001 0.000 0.285 310 I C -0.183 176.047 176.117 0.188 0.000 1.168 310 I CA -0.044 61.372 61.300 0.194 0.000 1.424 310 I CB -0.676 37.459 38.000 0.225 0.000 1.377 310 I HN 0.127 nan 8.210 nan 0.000 0.560 311 F N 8.168 128.163 119.950 0.075 0.000 2.543 311 F HA 0.402 4.929 4.527 -0.001 0.000 0.375 311 F C 1.281 177.083 175.800 0.003 0.000 1.075 311 F CA 0.502 58.525 58.000 0.039 0.000 1.225 311 F CB 0.166 39.188 39.000 0.036 0.000 1.099 311 F HN 0.776 nan 8.300 nan 0.000 0.561 312 G N 6.127 114.724 108.800 -0.338 0.000 2.359 312 G HA2 -0.398 3.561 3.960 -0.001 0.000 0.298 312 G HA3 -0.398 3.561 3.960 -0.001 0.000 0.298 312 G C 0.468 175.328 174.900 -0.067 0.000 1.030 312 G CA 0.561 45.538 45.100 -0.205 0.000 1.149 312 G HN 1.046 nan 8.290 nan 0.000 0.512 313 Y N 0.153 120.368 120.300 -0.141 0.000 2.139 313 Y HA -0.181 4.368 4.550 -0.001 0.000 0.282 313 Y C 2.433 178.236 175.900 -0.162 0.000 1.179 313 Y CA 2.655 60.699 58.100 -0.093 0.000 1.161 313 Y CB -0.174 38.253 38.460 -0.055 0.000 0.970 313 Y HN 0.434 nan 8.280 nan 0.000 0.511 314 L N 0.366 121.479 121.223 -0.184 0.000 2.023 314 L HA 0.017 4.356 4.340 -0.001 0.000 0.205 314 L C -0.736 175.803 176.870 -0.552 0.000 1.073 314 L CA 1.581 56.160 54.840 -0.435 0.000 0.745 314 L CB -1.565 40.232 42.059 -0.436 0.000 0.900 314 L HN 0.076 nan 8.230 nan 0.000 0.435 315 P HA -0.159 nan 4.420 nan 0.000 0.218 315 P C 1.901 179.091 177.300 -0.182 0.000 1.148 315 P CA 1.328 64.278 63.100 -0.250 0.000 0.822 315 P CB -0.106 31.503 31.700 -0.153 0.000 0.784 316 M N -1.268 118.192 119.600 -0.234 0.000 2.117 316 M HA -0.098 4.381 4.480 -0.001 0.000 0.262 316 M C 1.973 178.143 176.300 -0.217 0.000 1.065 316 M CA 1.534 56.693 55.300 -0.235 0.000 1.114 316 M CB -1.464 30.996 32.600 -0.233 0.000 1.361 316 M HN -0.130 nan 8.290 nan 0.000 0.408 317 V N -0.947 118.756 119.914 -0.351 0.000 2.358 317 V HA -0.255 3.865 4.120 -0.001 0.000 0.246 317 V C 2.231 178.271 176.094 -0.089 0.000 1.047 317 V CA 1.484 63.551 62.300 -0.388 0.000 1.035 317 V CB -0.921 30.410 31.823 -0.821 0.000 0.658 317 V HN 0.255 nan 8.190 nan 0.000 0.452 318 Y N 0.612 120.747 120.300 -0.275 0.000 2.293 318 Y HA -0.014 4.535 4.550 -0.001 0.000 0.291 318 Y C 2.472 178.306 175.900 -0.110 0.000 1.137 318 Y CA 0.498 58.496 58.100 -0.170 0.000 1.202 318 Y CB -1.114 37.262 38.460 -0.140 0.000 0.990 318 Y HN 0.204 nan 8.280 nan 0.000 0.537 319 A N -0.411 122.436 122.820 0.045 0.000 1.897 319 A HA -0.160 4.159 4.320 -0.001 0.000 0.215 319 A C 2.318 179.925 177.584 0.038 0.000 1.181 319 A CA 1.458 53.501 52.037 0.011 0.000 0.620 319 A CB -0.664 18.307 19.000 -0.048 0.000 0.821 319 A HN 0.364 nan 8.150 nan 0.000 0.443 320 M N -0.600 119.035 119.600 0.058 0.000 2.159 320 M HA -0.130 4.349 4.480 -0.001 0.000 0.263 320 M C 2.075 178.425 176.300 0.083 0.000 1.063 320 M CA 1.293 56.671 55.300 0.131 0.000 1.110 320 M CB -0.426 32.279 32.600 0.176 0.000 1.374 320 M HN 0.272 nan 8.290 nan 0.000 0.411 321 V N 0.184 120.116 119.914 0.030 0.000 2.379 321 V HA -0.198 3.921 4.120 -0.001 0.000 0.245 321 V C 2.609 178.687 176.094 -0.027 0.000 1.044 321 V CA 1.903 64.197 62.300 -0.010 0.000 1.036 321 V CB -1.104 30.669 31.823 -0.084 0.000 0.664 321 V HN 0.489 nan 8.190 nan 0.000 0.453 322 A N -0.024 122.778 122.820 -0.030 0.000 1.898 322 A HA -0.146 4.173 4.320 -0.001 0.000 0.216 322 A C 2.176 179.736 177.584 -0.040 0.000 1.181 322 A CA 1.754 53.771 52.037 -0.033 0.000 0.620 322 A CB -0.534 18.454 19.000 -0.021 0.000 0.819 322 A HN 0.483 nan 8.150 nan 0.000 0.442 323 I N -0.181 120.370 120.570 -0.032 0.000 2.208 323 I HA -0.228 3.941 4.170 -0.001 0.000 0.245 323 I C 2.688 178.687 176.117 -0.196 0.000 1.097 323 I CA 1.150 62.383 61.300 -0.111 0.000 1.363 323 I CB -0.576 37.432 38.000 0.013 0.000 1.051 323 I HN 0.406 nan 8.210 nan 0.000 0.413 324 G N 0.377 109.145 108.800 -0.054 0.000 2.421 324 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.216 324 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.216 324 G C 1.685 176.641 174.900 0.093 0.000 1.171 324 G CA 1.031 46.141 45.100 0.016 0.000 0.775 324 G HN 0.249 nan 8.290 nan 0.000 0.543 325 V N 0.881 120.833 119.914 0.063 0.000 2.283 325 V HA -0.053 4.066 4.120 -0.001 0.000 0.243 325 V C 2.873 179.035 176.094 0.112 0.000 1.039 325 V CA 1.310 63.676 62.300 0.110 0.000 1.016 325 V CB -0.493 31.341 31.823 0.019 0.000 0.650 325 V HN 0.315 nan 8.190 nan 0.000 0.449 326 L N 0.800 122.021 121.223 -0.003 0.000 2.265 326 L HA -0.085 4.254 4.340 -0.001 0.000 0.215 326 L C 2.470 179.265 176.870 -0.125 0.000 1.117 326 L CA 1.383 56.197 54.840 -0.044 0.000 0.782 326 L CB -0.948 41.061 42.059 -0.084 0.000 0.914 326 L HN 0.493 nan 8.230 nan 0.000 0.441 327 G N -0.969 107.690 108.800 -0.235 0.000 2.535 327 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.218 327 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.218 327 G C 1.132 175.825 174.900 -0.345 0.000 1.122 327 G CA 0.198 45.065 45.100 -0.389 0.000 0.769 327 G HN 0.302 nan 8.290 nan 0.000 0.549 328 F N -0.249 119.647 119.950 -0.090 0.000 2.727 328 F HA 0.184 4.710 4.527 -0.001 0.000 0.302 328 F C 1.802 177.694 175.800 0.152 0.000 1.097 328 F CA 0.084 58.012 58.000 -0.121 0.000 1.330 328 F CB 0.990 39.910 39.000 -0.134 0.000 1.084 328 F HN 0.079 nan 8.300 nan 0.000 0.578 329 V N -2.179 117.922 119.914 0.312 0.000 3.085 329 V HA 0.260 4.379 4.120 -0.001 0.000 0.345 329 V C 0.534 176.754 176.094 0.211 0.000 1.397 329 V CA 0.396 62.930 62.300 0.391 0.000 1.165 329 V CB -0.260 31.723 31.823 0.268 0.000 1.153 329 V HN 0.045 nan 8.190 nan 0.000 0.495 330 V N -3.832 116.181 119.914 0.166 0.000 3.398 330 V HA 0.291 4.410 4.120 -0.001 0.000 0.298 330 V C 1.661 177.549 176.094 -0.343 0.000 1.496 330 V CA 0.297 62.586 62.300 -0.019 0.000 1.044 330 V CB -0.536 31.179 31.823 -0.181 0.000 0.880 330 V HN 0.718 nan 8.190 nan 0.000 0.443 331 W N 2.034 123.249 121.300 -0.143 0.000 2.350 331 W HA 0.117 4.776 4.660 -0.001 0.000 0.289 331 W C 1.795 177.997 176.519 -0.529 0.000 1.215 331 W CA 1.643 58.845 57.345 -0.239 0.000 1.236 331 W CB -0.839 28.663 29.460 0.070 0.000 1.130 331 W HN 0.238 nan 8.180 nan 0.000 0.541 332 A N 1.703 123.627 122.820 -1.493 0.000 2.235 332 A HA -0.089 4.231 4.320 -0.001 0.000 0.208 332 A C 1.820 178.718 177.584 -1.143 0.000 1.172 332 A CA 0.976 52.180 52.037 -1.388 0.000 0.786 332 A CB -1.764 15.985 19.000 -2.085 0.000 0.804 332 A HN 0.783 nan 8.150 nan 0.000 0.479 333 H N -2.516 115.939 119.070 -1.024 0.000 2.545 333 H HA -0.053 4.502 4.556 -0.001 0.000 0.282 333 H C 0.839 175.411 175.328 -1.259 0.000 1.020 333 H CA 1.045 56.244 56.048 -1.414 0.000 1.243 333 H CB -0.386 28.893 29.762 -0.805 0.000 1.377 333 H HN 0.654 nan 8.280 nan 0.000 0.581 334 H N 0.467 119.110 119.070 -0.711 0.000 2.547 334 H HA 0.161 4.716 4.556 -0.001 0.000 0.266 334 H C 0.708 175.640 175.328 -0.660 0.000 0.988 334 H CA 0.490 56.039 56.048 -0.832 0.000 1.147 334 H CB 0.382 29.029 29.762 -1.858 0.000 1.365 334 H HN 0.516 nan 8.280 nan 0.000 0.589 335 M N -0.771 118.494 119.600 -0.558 0.000 2.625 335 M HA 0.082 4.561 4.480 -0.001 0.000 0.396 335 M C 0.394 176.534 176.300 -0.267 0.000 1.174 335 M CA -0.203 54.880 55.300 -0.361 0.000 0.898 335 M CB 0.627 33.029 32.600 -0.330 0.000 1.450 335 M HN -0.048 nan 8.290 nan 0.000 0.522 336 Y N 1.026 121.162 120.300 -0.275 0.000 2.256 336 Y HA -0.148 4.402 4.550 -0.001 0.000 0.288 336 Y C 2.844 178.646 175.900 -0.164 0.000 1.155 336 Y CA 1.889 59.874 58.100 -0.192 0.000 1.203 336 Y CB -0.837 37.528 38.460 -0.159 0.000 0.980 336 Y HN 0.377 nan 8.280 nan 0.000 0.530 337 T N -3.889 110.614 114.554 -0.085 0.000 3.105 337 T HA 0.435 4.784 4.350 -0.001 0.000 0.253 337 T C 1.657 176.341 174.700 -0.027 0.000 1.047 337 T CA 0.332 62.400 62.100 -0.052 0.000 0.944 337 T CB -0.118 68.719 68.868 -0.051 0.000 1.016 337 T HN 0.167 nan 8.240 nan 0.000 0.544 338 A N 0.963 123.755 122.820 -0.047 0.000 2.169 338 A HA 0.628 4.947 4.320 -0.001 0.000 0.212 338 A C 1.808 179.401 177.584 0.014 0.000 1.153 338 A CA 0.454 52.485 52.037 -0.009 0.000 0.756 338 A CB -0.688 18.285 19.000 -0.045 0.000 0.813 338 A HN 1.376 nan 8.150 nan 0.000 0.471 339 G N -1.156 107.658 108.800 0.023 0.000 2.157 339 G HA2 -0.067 3.893 3.960 -0.001 0.000 0.114 339 G HA3 -0.067 3.893 3.960 -0.001 0.000 0.114 339 G C -0.176 174.762 174.900 0.064 0.000 1.041 339 G CA -0.266 44.861 45.100 0.045 0.000 0.714 339 G HN 0.272 nan 8.290 nan 0.000 0.492 340 L N 1.974 123.235 121.223 0.064 0.000 2.417 340 L HA 0.542 4.881 4.340 -0.001 0.000 0.268 340 L C 1.586 178.513 176.870 0.094 0.000 1.158 340 L CA -0.116 54.783 54.840 0.098 0.000 0.819 340 L CB 1.250 43.371 42.059 0.105 0.000 1.112 340 L HN 0.471 nan 8.230 nan 0.000 0.458 341 S N 1.776 117.539 115.700 0.105 0.000 2.584 341 S HA 0.037 4.506 4.470 -0.001 0.000 0.270 341 S C 0.900 175.549 174.600 0.083 0.000 1.346 341 S CA -0.646 57.604 58.200 0.084 0.000 1.018 341 S CB 0.931 64.180 63.200 0.081 0.000 0.899 341 S HN 0.576 nan 8.310 nan 0.000 0.542 342 L N 2.371 123.627 121.223 0.055 0.000 2.081 342 L HA -0.058 4.282 4.340 -0.001 0.000 0.212 342 L C 2.421 179.326 176.870 0.058 0.000 1.080 342 L CA 2.339 57.204 54.840 0.041 0.000 0.754 342 L CB -1.607 40.464 42.059 0.021 0.000 0.893 342 L HN 0.978 nan 8.230 nan 0.000 0.433 343 T N -0.859 113.736 114.554 0.068 0.000 2.701 343 T HA -0.206 4.143 4.350 -0.001 0.000 0.263 343 T C 1.803 176.582 174.700 0.133 0.000 1.040 343 T CA 1.766 63.912 62.100 0.076 0.000 1.147 343 T CB -0.164 68.736 68.868 0.054 0.000 0.865 343 T HN 0.475 nan 8.240 nan 0.000 0.426 344 Q N 0.716 120.618 119.800 0.171 0.000 2.096 344 Q HA -0.154 4.185 4.340 -0.001 0.000 0.204 344 Q C 2.581 178.821 176.000 0.400 0.000 0.982 344 Q CA 1.426 57.411 55.803 0.303 0.000 0.850 344 Q CB -0.181 28.733 28.738 0.292 0.000 0.901 344 Q HN 0.590 nan 8.270 nan 0.000 0.422 345 Q N -0.311 119.647 119.800 0.263 0.000 2.084 345 Q HA -0.128 4.211 4.340 -0.001 0.000 0.202 345 Q C 2.280 178.383 176.000 0.172 0.000 0.978 345 Q CA 1.385 57.339 55.803 0.252 0.000 0.844 345 Q CB 0.026 28.813 28.738 0.083 0.000 0.898 345 Q HN 0.240 nan 8.270 nan 0.000 0.426 346 S N 0.135 115.900 115.700 0.107 0.000 2.355 346 S HA -0.176 4.293 4.470 -0.001 0.000 0.222 346 S C 1.636 176.272 174.600 0.059 0.000 1.031 346 S CA 1.259 59.489 58.200 0.051 0.000 0.993 346 S CB -0.416 62.807 63.200 0.039 0.000 0.859 346 S HN 0.472 nan 8.310 nan 0.000 0.453 347 Y N 1.554 121.848 120.300 -0.010 0.000 2.097 347 Y HA -0.180 4.369 4.550 -0.001 0.000 0.282 347 Y C 1.819 177.639 175.900 -0.132 0.000 1.152 347 Y CA 1.454 59.482 58.100 -0.120 0.000 1.136 347 Y CB -0.817 37.495 38.460 -0.246 0.000 0.975 347 Y HN 0.192 nan 8.280 nan 0.000 0.498 348 F N 0.202 119.920 119.950 -0.387 0.000 2.216 348 F HA -0.251 4.275 4.527 -0.001 0.000 0.300 348 F C 2.750 178.408 175.800 -0.235 0.000 1.085 348 F CA 1.867 59.572 58.000 -0.491 0.000 1.326 348 F CB -0.620 38.239 39.000 -0.235 0.000 1.027 348 F HN 0.219 nan 8.300 nan 0.000 0.497 349 M N -0.473 119.200 119.600 0.122 0.000 2.086 349 M HA -0.271 4.208 4.480 -0.001 0.000 0.261 349 M C 2.079 178.349 176.300 -0.051 0.000 1.067 349 M CA 1.886 57.235 55.300 0.083 0.000 1.116 349 M CB -0.168 32.425 32.600 -0.011 0.000 1.348 349 M HN 0.162 nan 8.290 nan 0.000 0.407 350 M N -0.212 119.308 119.600 -0.134 0.000 2.156 350 M HA -0.068 4.411 4.480 -0.001 0.000 0.264 350 M C 2.405 178.595 176.300 -0.185 0.000 1.067 350 M CA 1.491 56.710 55.300 -0.135 0.000 1.131 350 M CB -0.615 31.923 32.600 -0.102 0.000 1.368 350 M HN 0.510 nan 8.290 nan 0.000 0.416 351 A N 0.162 122.757 122.820 -0.376 0.000 1.940 351 A HA -0.157 4.163 4.320 -0.001 0.000 0.219 351 A C 2.198 179.677 177.584 -0.175 0.000 1.176 351 A CA 2.289 54.115 52.037 -0.351 0.000 0.631 351 A CB -1.177 17.398 19.000 -0.708 0.000 0.814 351 A HN 0.458 nan 8.150 nan 0.000 0.446 352 T N 0.056 114.542 114.554 -0.113 0.000 2.746 352 T HA -0.128 4.221 4.350 -0.001 0.000 0.267 352 T C 1.916 176.607 174.700 -0.015 0.000 1.039 352 T CA 1.716 63.820 62.100 0.006 0.000 1.142 352 T CB -0.310 68.631 68.868 0.122 0.000 0.866 352 T HN 0.462 nan 8.240 nan 0.000 0.444 353 M N 0.544 120.121 119.600 -0.037 0.000 2.213 353 M HA -0.081 4.398 4.480 -0.001 0.000 0.263 353 M C 2.408 178.693 176.300 -0.025 0.000 1.062 353 M CA 1.092 56.373 55.300 -0.032 0.000 1.105 353 M CB -0.585 31.992 32.600 -0.039 0.000 1.385 353 M HN 0.106 nan 8.290 nan 0.000 0.417 354 V N 0.697 120.589 119.914 -0.038 0.000 2.261 354 V HA -0.286 3.833 4.120 -0.001 0.000 0.246 354 V C 2.172 178.258 176.094 -0.015 0.000 1.047 354 V CA 1.864 64.147 62.300 -0.028 0.000 1.015 354 V CB -0.523 31.276 31.823 -0.040 0.000 0.642 354 V HN 0.471 nan 8.190 nan 0.000 0.446 355 I N 0.197 120.756 120.570 -0.018 0.000 2.657 355 I HA -0.239 3.930 4.170 -0.001 0.000 0.261 355 I C 2.327 178.471 176.117 0.045 0.000 1.212 355 I CA 1.146 62.443 61.300 -0.006 0.000 1.453 355 I CB -0.218 37.757 38.000 -0.040 0.000 1.092 355 I HN 0.328 nan 8.210 nan 0.000 0.452 356 A N -0.248 122.596 122.820 0.041 0.000 2.015 356 A HA -0.104 4.215 4.320 -0.001 0.000 0.219 356 A C 2.214 179.818 177.584 0.033 0.000 1.163 356 A CA 1.395 53.461 52.037 0.047 0.000 0.646 356 A CB -0.586 18.424 19.000 0.017 0.000 0.806 356 A HN 0.326 nan 8.150 nan 0.000 0.448 357 V N 1.103 121.030 119.914 0.022 0.000 2.244 357 V HA -0.124 3.995 4.120 -0.001 0.000 0.244 357 V C -0.151 175.953 176.094 0.015 0.000 1.042 357 V CA 2.216 64.529 62.300 0.021 0.000 1.006 357 V CB -1.569 30.265 31.823 0.018 0.000 0.641 357 V HN 0.415 nan 8.190 nan 0.000 0.446 358 P HA -0.117 nan 4.420 nan 0.000 0.219 358 P C 1.509 178.803 177.300 -0.011 0.000 1.146 358 P CA 1.666 64.768 63.100 0.002 0.000 0.808 358 P CB -0.149 31.557 31.700 0.010 0.000 0.779 359 T N -0.568 114.014 114.554 0.047 0.000 2.814 359 T HA 0.033 4.382 4.350 -0.001 0.000 0.254 359 T C 2.215 176.944 174.700 0.049 0.000 1.037 359 T CA 1.483 63.655 62.100 0.120 0.000 1.143 359 T CB -1.213 67.838 68.868 0.306 0.000 0.866 359 T HN 0.130 nan 8.240 nan 0.000 0.431 360 G N 1.699 110.507 108.800 0.014 0.000 2.448 360 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.219 360 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.219 360 G C 1.376 176.073 174.900 -0.339 0.000 1.127 360 G CA 0.398 45.432 45.100 -0.109 0.000 0.766 360 G HN 0.314 nan 8.290 nan 0.000 0.552 361 I N 1.128 121.568 120.570 -0.215 0.000 2.163 361 I HA -0.068 4.101 4.170 -0.001 0.000 0.240 361 I C 2.513 178.459 176.117 -0.285 0.000 1.081 361 I CA 0.844 62.038 61.300 -0.177 0.000 1.353 361 I CB -1.124 36.882 38.000 0.008 0.000 1.054 361 I HN 0.155 nan 8.210 nan 0.000 0.407 362 K N 0.316 120.493 120.400 -0.370 0.000 2.242 362 K HA -0.207 4.112 4.320 -0.001 0.000 0.206 362 K C 1.995 178.146 176.600 -0.749 0.000 1.045 362 K CA 1.128 56.994 56.287 -0.702 0.000 0.930 362 K CB -0.160 31.728 32.500 -1.019 0.000 0.726 362 K HN 0.263 nan 8.250 nan 0.000 0.462 363 I N 0.342 120.701 120.570 -0.352 0.000 2.163 363 I HA -0.275 3.894 4.170 -0.001 0.000 0.243 363 I C 2.066 178.186 176.117 0.004 0.000 1.085 363 I CA 1.684 62.985 61.300 0.002 0.000 1.347 363 I CB -0.976 36.942 38.000 -0.137 0.000 1.044 363 I HN 0.046 nan 8.210 nan 0.000 0.408 364 F N 1.395 121.326 119.950 -0.032 0.000 2.134 364 F HA -0.133 4.393 4.527 -0.001 0.000 0.299 364 F C 2.897 178.593 175.800 -0.175 0.000 1.097 364 F CA 1.052 58.995 58.000 -0.095 0.000 1.264 364 F CB -1.541 37.378 39.000 -0.135 0.000 1.001 364 F HN -0.009 nan 8.300 nan 0.000 0.479 365 S N -0.961 114.713 115.700 -0.043 0.000 2.383 365 S HA -0.206 4.263 4.470 -0.001 0.000 0.229 365 S C 1.893 176.497 174.600 0.005 0.000 1.030 365 S CA 1.158 59.299 58.200 -0.099 0.000 1.002 365 S CB -0.435 62.679 63.200 -0.144 0.000 0.829 365 S HN 0.390 nan 8.310 nan 0.000 0.467 366 W N 1.361 122.684 121.300 0.037 0.000 2.418 366 W HA 0.158 4.817 4.660 -0.001 0.000 0.292 366 W C 1.982 178.539 176.519 0.064 0.000 1.213 366 W CA 0.022 57.395 57.345 0.047 0.000 1.283 366 W CB -1.010 28.469 29.460 0.032 0.000 1.119 366 W HN 0.318 nan 8.180 nan 0.000 0.542 367 I N 0.306 121.051 120.570 0.291 0.000 2.315 367 I HA -0.227 3.942 4.170 -0.001 0.000 0.248 367 I C 2.511 178.742 176.117 0.190 0.000 1.117 367 I CA 1.450 62.894 61.300 0.240 0.000 1.404 367 I CB -0.866 37.283 38.000 0.248 0.000 1.071 367 I HN -0.199 nan 8.210 nan 0.000 0.419 368 A N 0.219 123.040 122.820 0.001 0.000 2.066 368 A HA -0.131 4.188 4.320 -0.001 0.000 0.218 368 A C 2.323 179.950 177.584 0.072 0.000 1.157 368 A CA 1.885 53.808 52.037 -0.190 0.000 0.670 368 A CB -0.847 17.565 19.000 -0.979 0.000 0.804 368 A HN 0.369 nan 8.150 nan 0.000 0.453 369 T N -0.034 114.627 114.554 0.178 0.000 2.857 369 T HA -0.075 4.274 4.350 -0.001 0.000 0.266 369 T C 1.883 176.692 174.700 0.182 0.000 1.048 369 T CA 1.581 63.825 62.100 0.240 0.000 1.139 369 T CB -0.256 68.766 68.868 0.258 0.000 0.874 369 T HN 0.457 nan 8.240 nan 0.000 0.455 370 M N -0.510 119.197 119.600 0.179 0.000 2.254 370 M HA 0.038 4.517 4.480 -0.001 0.000 0.265 370 M C 0.892 177.264 176.300 0.121 0.000 1.066 370 M CA 0.568 55.940 55.300 0.121 0.000 1.123 370 M CB -0.006 32.662 32.600 0.114 0.000 1.388 370 M HN 0.305 nan 8.290 nan 0.000 0.425 371 W N 1.748 123.053 121.300 0.009 0.000 2.381 371 W HA 0.151 4.811 4.660 -0.001 0.000 0.321 371 W C 0.873 177.399 176.519 0.011 0.000 1.407 371 W CA 1.715 59.059 57.345 -0.001 0.000 1.274 371 W CB 0.244 29.688 29.460 -0.027 0.000 1.310 371 W HN 0.590 nan 8.180 nan 0.000 0.551 372 G N 3.604 112.341 108.800 -0.104 0.000 2.179 372 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.260 372 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.260 372 G C 0.422 175.303 174.900 -0.032 0.000 0.977 372 G CA 0.075 45.164 45.100 -0.019 0.000 0.641 372 G HN 0.919 nan 8.290 nan 0.000 0.533 373 G N -0.629 108.142 108.800 -0.048 0.000 2.508 373 G HA2 0.522 4.481 3.960 -0.001 0.000 0.278 373 G HA3 0.522 4.481 3.960 -0.001 0.000 0.278 373 G C 0.297 175.146 174.900 -0.085 0.000 1.389 373 G CA 0.767 45.828 45.100 -0.064 0.000 1.050 373 G HN 1.256 nan 8.290 nan 0.000 0.522 374 S N -0.430 115.214 115.700 -0.092 0.000 2.399 374 S HA 0.409 4.879 4.470 -0.001 0.000 0.215 374 S C -0.211 174.355 174.600 -0.057 0.000 1.456 374 S CA -0.639 57.517 58.200 -0.073 0.000 1.199 374 S CB -0.461 62.700 63.200 -0.065 0.000 1.063 374 S HN 0.370 nan 8.310 nan 0.000 0.476 375 I N 3.411 123.950 120.570 -0.053 0.000 2.396 375 I HA 0.262 4.431 4.170 -0.001 0.000 0.289 375 I C 0.597 176.707 176.117 -0.012 0.000 1.056 375 I CA -0.041 61.237 61.300 -0.036 0.000 1.365 375 I CB 0.782 38.747 38.000 -0.058 0.000 1.407 375 I HN 0.543 nan 8.210 nan 0.000 0.509 376 E N 7.184 127.407 120.200 0.038 0.000 2.133 376 E HA 0.310 4.659 4.350 -0.001 0.000 0.274 376 E C -0.646 175.942 176.600 -0.019 0.000 0.930 376 E CA -0.637 55.805 56.400 0.070 0.000 0.770 376 E CB 1.074 30.895 29.700 0.202 0.000 1.104 376 E HN 0.587 nan 8.360 nan 0.000 0.403 377 L N 5.569 126.744 121.223 -0.080 0.000 2.796 377 L HA 0.201 4.541 4.340 -0.001 0.000 0.235 377 L C 0.351 177.074 176.870 -0.246 0.000 1.344 377 L CA -0.249 54.473 54.840 -0.197 0.000 1.245 377 L CB -0.398 41.571 42.059 -0.151 0.000 1.556 377 L HN 0.235 nan 8.230 nan 0.000 0.423 378 K N -0.178 120.013 120.400 -0.348 0.000 2.138 378 K HA 0.221 4.541 4.320 -0.001 0.000 0.251 378 K C 1.362 177.659 176.600 -0.505 0.000 1.015 378 K CA -0.231 55.866 56.287 -0.316 0.000 0.917 378 K CB 0.992 33.342 32.500 -0.251 0.000 1.021 378 K HN 0.078 nan 8.250 nan 0.000 0.485 379 T N 2.401 116.770 114.554 -0.308 0.000 2.649 379 T HA -0.148 4.202 4.350 -0.001 0.000 0.268 379 T C -1.095 173.310 174.700 -0.492 0.000 1.036 379 T CA 1.833 63.644 62.100 -0.481 0.000 1.157 379 T CB -0.854 67.713 68.868 -0.502 0.000 0.861 379 T HN 0.479 nan 8.240 nan 0.000 0.445 380 P HA 0.018 nan 4.420 nan 0.000 0.218 380 P C 1.524 178.506 177.300 -0.531 0.000 1.149 380 P CA 0.755 63.667 63.100 -0.313 0.000 0.817 380 P CB -0.098 31.412 31.700 -0.317 0.000 0.785 381 M N -0.884 118.184 119.600 -0.886 0.000 2.132 381 M HA -0.066 4.413 4.480 -0.001 0.000 0.263 381 M C 1.832 177.780 176.300 -0.587 0.000 1.065 381 M CA 1.668 56.558 55.300 -0.684 0.000 1.122 381 M CB -1.422 30.754 32.600 -0.706 0.000 1.365 381 M HN -0.205 nan 8.290 nan 0.000 0.411 382 L N -1.578 119.150 121.223 -0.825 0.000 1.990 382 L HA -0.267 4.073 4.340 -0.001 0.000 0.213 382 L C 2.262 178.474 176.870 -1.097 0.000 1.072 382 L CA 1.891 55.931 54.840 -1.333 0.000 0.755 382 L CB -1.023 39.752 42.059 -2.140 0.000 0.889 382 L HN 0.422 nan 8.230 nan 0.000 0.432 383 W N -0.394 120.551 121.300 -0.592 0.000 2.338 383 W HA -0.223 4.437 4.660 -0.001 0.000 0.304 383 W C 2.711 179.288 176.519 0.097 0.000 1.212 383 W CA 0.929 58.233 57.345 -0.068 0.000 1.264 383 W CB -0.400 28.997 29.460 -0.105 0.000 1.142 383 W HN 0.137 nan 8.180 nan 0.000 0.512 384 A N -0.099 122.759 122.820 0.063 0.000 1.930 384 A HA -0.112 4.207 4.320 -0.001 0.000 0.217 384 A C 1.921 179.528 177.584 0.038 0.000 1.175 384 A CA 1.258 53.271 52.037 -0.039 0.000 0.627 384 A CB -0.867 17.982 19.000 -0.251 0.000 0.815 384 A HN 0.305 nan 8.150 nan 0.000 0.443 385 L N -0.916 120.291 121.223 -0.026 0.000 2.109 385 L HA -0.034 4.305 4.340 -0.001 0.000 0.207 385 L C 2.827 179.804 176.870 0.178 0.000 1.086 385 L CA 0.876 55.726 54.840 0.016 0.000 0.760 385 L CB -0.831 41.151 42.059 -0.128 0.000 0.910 385 L HN 0.466 nan 8.230 nan 0.000 0.437 386 G N 0.126 109.097 108.800 0.285 0.000 2.446 386 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.217 386 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.217 386 G C 1.511 176.688 174.900 0.461 0.000 1.168 386 G CA 0.752 46.186 45.100 0.557 0.000 0.771 386 G HN 0.297 nan 8.290 nan 0.000 0.551 387 F N 1.412 121.568 119.950 0.343 0.000 2.087 387 F HA -0.143 4.383 4.527 -0.001 0.000 0.299 387 F C 2.484 178.367 175.800 0.138 0.000 1.100 387 F CA 1.590 59.687 58.000 0.162 0.000 1.226 387 F CB -0.251 38.800 39.000 0.085 0.000 0.983 387 F HN 0.072 nan 8.300 nan 0.000 0.479 388 L N -1.084 120.338 121.223 0.332 0.000 2.017 388 L HA -0.223 4.117 4.340 -0.001 0.000 0.208 388 L C 2.444 179.446 176.870 0.219 0.000 1.073 388 L CA 1.678 56.677 54.840 0.265 0.000 0.745 388 L CB -1.024 41.192 42.059 0.261 0.000 0.894 388 L HN 0.282 nan 8.230 nan 0.000 0.432 389 F N 0.873 120.899 119.950 0.126 0.000 2.084 389 F HA -0.184 4.342 4.527 -0.001 0.000 0.296 389 F C 2.210 178.063 175.800 0.089 0.000 1.111 389 F CA 1.545 59.625 58.000 0.134 0.000 1.224 389 F CB -0.309 38.823 39.000 0.220 0.000 0.991 389 F HN -0.162 nan 8.300 nan 0.000 0.471 390 L N -1.062 120.112 121.223 -0.082 0.000 2.093 390 L HA -0.182 4.158 4.340 -0.001 0.000 0.208 390 L C 2.449 179.198 176.870 -0.201 0.000 1.085 390 L CA 1.341 56.053 54.840 -0.213 0.000 0.755 390 L CB -0.957 40.941 42.059 -0.269 0.000 0.904 390 L HN 0.208 nan 8.230 nan 0.000 0.435 391 F N 0.929 120.616 119.950 -0.439 0.000 2.216 391 F HA -0.207 4.319 4.527 -0.001 0.000 0.300 391 F C 2.417 178.068 175.800 -0.248 0.000 1.085 391 F CA 1.772 59.506 58.000 -0.443 0.000 1.326 391 F CB -0.296 38.238 39.000 -0.777 0.000 1.027 391 F HN -0.053 nan 8.300 nan 0.000 0.497 392 T N -0.151 114.299 114.554 -0.173 0.000 2.701 392 T HA -0.154 4.195 4.350 -0.001 0.000 0.263 392 T C 2.200 176.709 174.700 -0.318 0.000 1.040 392 T CA 1.666 63.641 62.100 -0.208 0.000 1.147 392 T CB -0.712 68.102 68.868 -0.090 0.000 0.865 392 T HN 0.092 nan 8.240 nan 0.000 0.426 393 V N 1.554 121.221 119.914 -0.412 0.000 2.324 393 V HA -0.167 3.952 4.120 -0.001 0.000 0.250 393 V C 2.846 178.649 176.094 -0.484 0.000 1.060 393 V CA 2.087 64.084 62.300 -0.506 0.000 1.042 393 V CB -1.419 29.971 31.823 -0.721 0.000 0.650 393 V HN 0.620 nan 8.190 nan 0.000 0.450 394 G N -0.143 108.427 108.800 -0.384 0.000 2.421 394 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.216 394 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.216 394 G C 1.622 176.357 174.900 -0.275 0.000 1.171 394 G CA 0.889 45.799 45.100 -0.316 0.000 0.775 394 G HN 0.594 nan 8.290 nan 0.000 0.543 395 G N 0.032 108.559 108.800 -0.456 0.000 2.422 395 G HA2 -0.086 3.873 3.960 -0.001 0.000 0.218 395 G HA3 -0.086 3.873 3.960 -0.001 0.000 0.218 395 G C 1.724 176.505 174.900 -0.197 0.000 1.140 395 G CA 0.969 45.849 45.100 -0.368 0.000 0.775 395 G HN 0.314 nan 8.290 nan 0.000 0.545 396 V N 1.660 121.445 119.914 -0.214 0.000 2.427 396 V HA -0.160 3.960 4.120 -0.001 0.000 0.248 396 V C 3.335 179.336 176.094 -0.155 0.000 1.051 396 V CA 2.485 64.684 62.300 -0.168 0.000 1.048 396 V CB -0.463 31.254 31.823 -0.176 0.000 0.666 396 V HN 0.660 nan 8.190 nan 0.000 0.456 397 T N -2.672 111.773 114.554 -0.181 0.000 2.995 397 T HA -0.017 4.333 4.350 -0.001 0.000 0.269 397 T C 1.918 176.474 174.700 -0.240 0.000 1.091 397 T CA 1.127 63.124 62.100 -0.171 0.000 1.128 397 T CB -0.425 68.251 68.868 -0.321 0.000 0.891 397 T HN 0.448 nan 8.240 nan 0.000 0.492 398 G N 2.138 110.750 108.800 -0.313 0.000 2.418 398 G HA2 -0.092 3.867 3.960 -0.001 0.000 0.217 398 G HA3 -0.092 3.867 3.960 -0.001 0.000 0.217 398 G C 1.448 176.184 174.900 -0.273 0.000 1.158 398 G CA 0.739 45.531 45.100 -0.513 0.000 0.771 398 G HN 0.448 nan 8.290 nan 0.000 0.545 399 I N 1.068 121.542 120.570 -0.160 0.000 2.226 399 I HA -0.125 4.044 4.170 -0.001 0.000 0.245 399 I C 2.999 179.066 176.117 -0.083 0.000 1.100 399 I CA 0.638 61.876 61.300 -0.104 0.000 1.374 399 I CB -1.230 36.724 38.000 -0.076 0.000 1.057 399 I HN 0.041 nan 8.210 nan 0.000 0.413 400 V N 1.123 120.997 119.914 -0.067 0.000 2.255 400 V HA -0.270 3.849 4.120 -0.001 0.000 0.247 400 V C 2.607 178.699 176.094 -0.005 0.000 1.051 400 V CA 1.643 63.934 62.300 -0.014 0.000 1.018 400 V CB -0.707 31.143 31.823 0.046 0.000 0.641 400 V HN 0.322 nan 8.190 nan 0.000 0.445 401 L N 1.057 122.256 121.223 -0.040 0.000 2.191 401 L HA -0.150 4.190 4.340 -0.001 0.000 0.212 401 L C 2.673 179.545 176.870 0.003 0.000 1.103 401 L CA 1.598 56.426 54.840 -0.019 0.000 0.769 401 L CB -0.738 41.237 42.059 -0.141 0.000 0.908 401 L HN 0.570 nan 8.230 nan 0.000 0.438 402 S N -1.321 114.343 115.700 -0.060 0.000 2.423 402 S HA -0.132 4.337 4.470 -0.001 0.000 0.231 402 S C 1.131 175.744 174.600 0.020 0.000 1.014 402 S CA 0.424 58.631 58.200 0.012 0.000 0.965 402 S CB -0.297 62.872 63.200 -0.052 0.000 0.785 402 S HN 0.333 nan 8.310 nan 0.000 0.495 403 Q N 1.556 121.324 119.800 -0.053 0.000 2.359 403 Q HA 0.448 4.787 4.340 -0.001 0.000 0.249 403 Q C 1.291 177.154 176.000 -0.229 0.000 1.181 403 Q CA 0.447 56.175 55.803 -0.125 0.000 0.897 403 Q CB 0.323 29.010 28.738 -0.085 0.000 1.424 403 Q HN 0.528 nan 8.270 nan 0.000 0.478 404 A N 2.893 125.409 122.820 -0.508 0.000 1.997 404 A HA -0.264 4.056 4.320 -0.001 0.000 0.221 404 A C 2.100 179.468 177.584 -0.361 0.000 1.172 404 A CA 2.190 53.738 52.037 -0.816 0.000 0.645 404 A CB -0.282 18.010 19.000 -1.181 0.000 0.813 404 A HN 0.705 nan 8.150 nan 0.000 0.454 405 S N -0.918 114.639 115.700 -0.238 0.000 2.428 405 S HA -0.037 4.433 4.470 -0.001 0.000 0.230 405 S C 1.587 176.117 174.600 -0.116 0.000 1.014 405 S CA 1.247 59.358 58.200 -0.148 0.000 0.957 405 S CB -0.452 62.676 63.200 -0.120 0.000 0.784 405 S HN 0.277 nan 8.310 nan 0.000 0.499 406 V N 1.989 121.835 119.914 -0.115 0.000 2.599 406 V HA -0.004 4.115 4.120 -0.001 0.000 0.245 406 V C 2.381 178.441 176.094 -0.056 0.000 1.046 406 V CA 1.525 63.754 62.300 -0.117 0.000 1.065 406 V CB -0.844 30.931 31.823 -0.080 0.000 0.703 406 V HN 0.442 nan 8.190 nan 0.000 0.464 407 D N 0.357 120.774 120.400 0.029 0.000 2.221 407 D HA -0.236 4.404 4.640 -0.001 0.000 0.204 407 D C 2.171 178.551 176.300 0.135 0.000 0.982 407 D CA 1.032 55.122 54.000 0.150 0.000 0.857 407 D CB -0.033 40.898 40.800 0.218 0.000 0.934 407 D HN 0.167 nan 8.370 nan 0.000 0.475 408 R N -1.092 119.430 120.500 0.038 0.000 2.103 408 R HA -0.210 4.129 4.340 -0.001 0.000 0.242 408 R C 1.971 178.302 176.300 0.051 0.000 1.142 408 R CA 1.504 57.627 56.100 0.038 0.000 0.960 408 R CB -0.785 29.511 30.300 -0.006 0.000 0.858 408 R HN 0.376 nan 8.270 nan 0.000 0.439 409 Y N -1.299 118.917 120.300 -0.139 0.000 2.243 409 Y HA -0.127 4.422 4.550 -0.001 0.000 0.293 409 Y C 1.317 177.130 175.900 -0.144 0.000 1.124 409 Y CA 1.461 59.432 58.100 -0.215 0.000 1.159 409 Y CB -0.095 38.101 38.460 -0.440 0.000 1.008 409 Y HN 0.076 nan 8.280 nan 0.000 0.527 410 Y N -0.991 119.424 120.300 0.192 0.000 2.420 410 Y HA 0.011 4.560 4.550 -0.001 0.000 0.292 410 Y C 0.952 176.910 175.900 0.097 0.000 1.119 410 Y CA 0.641 58.811 58.100 0.116 0.000 1.229 410 Y CB -1.211 37.232 38.460 -0.030 0.000 1.026 410 Y HN 0.090 nan 8.280 nan 0.000 0.554 411 H N 1.667 120.848 119.070 0.185 0.000 3.064 411 H HA -0.026 4.529 4.556 -0.001 0.000 0.329 411 H C 0.594 175.973 175.328 0.086 0.000 1.020 411 H CA 0.582 56.707 56.048 0.127 0.000 1.402 411 H CB -0.013 29.811 29.762 0.103 0.000 1.379 411 H HN 0.222 nan 8.280 nan 0.000 0.594 412 D N 2.465 122.440 120.400 -0.709 0.000 2.837 412 D HA -0.199 4.440 4.640 -0.001 0.000 0.230 412 D C -0.381 175.797 176.300 -0.204 0.000 1.152 412 D CA 1.420 55.141 54.000 -0.465 0.000 0.736 412 D CB -0.866 39.678 40.800 -0.426 0.000 1.084 412 D HN 0.766 nan 8.370 nan 0.000 0.429 413 T N -4.271 110.225 114.554 -0.096 0.000 2.910 413 T HA 0.435 4.784 4.350 -0.001 0.000 0.287 413 T C 1.030 175.717 174.700 -0.023 0.000 1.050 413 T CA -0.742 61.346 62.100 -0.020 0.000 1.011 413 T CB 0.936 69.877 68.868 0.121 0.000 1.195 413 T HN -0.079 nan 8.240 nan 0.000 0.540 414 Y N -0.680 119.589 120.300 -0.052 0.000 2.574 414 Y HA 0.047 4.596 4.550 -0.001 0.000 0.294 414 Y C 2.043 177.876 175.900 -0.112 0.000 1.142 414 Y CA 0.761 58.807 58.100 -0.090 0.000 1.314 414 Y CB -0.491 37.883 38.460 -0.143 0.000 0.991 414 Y HN 0.822 nan 8.280 nan 0.000 0.555 415 Y N -0.771 119.502 120.300 -0.045 0.000 2.224 415 Y HA -0.256 4.294 4.550 -0.001 0.000 0.289 415 Y C 2.183 177.942 175.900 -0.234 0.000 1.146 415 Y CA 1.518 59.490 58.100 -0.212 0.000 1.182 415 Y CB -0.281 37.965 38.460 -0.357 0.000 0.983 415 Y HN -0.097 nan 8.280 nan 0.000 0.524 416 V N -1.214 118.719 119.914 0.031 0.000 2.358 416 V HA -0.292 3.827 4.120 -0.001 0.000 0.246 416 V C 2.261 178.245 176.094 -0.184 0.000 1.047 416 V CA 1.632 63.955 62.300 0.039 0.000 1.035 416 V CB -0.824 31.085 31.823 0.144 0.000 0.658 416 V HN 0.304 nan 8.190 nan 0.000 0.452 417 V N 0.602 120.286 119.914 -0.384 0.000 2.287 417 V HA -0.288 3.831 4.120 -0.001 0.000 0.248 417 V C 2.752 178.413 176.094 -0.722 0.000 1.053 417 V CA 2.103 63.916 62.300 -0.811 0.000 1.027 417 V CB -1.314 30.176 31.823 -0.555 0.000 0.646 417 V HN 0.554 nan 8.190 nan 0.000 0.447 418 A N 0.008 122.526 122.820 -0.505 0.000 1.883 418 A HA -0.326 3.993 4.320 -0.001 0.000 0.217 418 A C 2.140 179.431 177.584 -0.487 0.000 1.186 418 A CA 2.488 54.173 52.037 -0.585 0.000 0.624 418 A CB -0.938 17.329 19.000 -1.221 0.000 0.822 418 A HN 0.801 nan 8.150 nan 0.000 0.444 419 H N 0.006 118.739 119.070 -0.562 0.000 2.289 419 H HA -0.217 4.338 4.556 -0.001 0.000 0.296 419 H C 1.655 176.829 175.328 -0.256 0.000 1.091 419 H CA 2.617 58.443 56.048 -0.370 0.000 1.274 419 H CB -0.668 28.915 29.762 -0.299 0.000 1.364 419 H HN 0.612 nan 8.280 nan 0.000 0.490 420 F N -1.037 118.563 119.950 -0.584 0.000 2.367 420 F HA 0.103 4.630 4.527 -0.001 0.000 0.298 420 F C 1.879 177.269 175.800 -0.683 0.000 1.094 420 F CA 0.962 58.540 58.000 -0.703 0.000 1.409 420 F CB -1.074 37.663 39.000 -0.438 0.000 1.064 420 F HN 0.188 nan 8.300 nan 0.000 0.528 421 H N -1.535 117.059 119.070 -0.793 0.000 2.491 421 H HA -0.030 4.525 4.556 -0.001 0.000 0.290 421 H C 1.424 176.247 175.328 -0.841 0.000 1.050 421 H CA 2.106 57.578 56.048 -0.961 0.000 1.309 421 H CB -0.309 28.330 29.762 -1.872 0.000 1.392 421 H HN 0.324 nan 8.280 nan 0.000 0.554 422 Y N -0.321 119.636 120.300 -0.572 0.000 2.153 422 Y HA -0.208 4.341 4.550 -0.001 0.000 0.289 422 Y C 2.596 178.240 175.900 -0.428 0.000 1.119 422 Y CA 1.353 59.178 58.100 -0.457 0.000 1.116 422 Y CB -0.366 37.850 38.460 -0.406 0.000 1.004 422 Y HN 0.075 nan 8.280 nan 0.000 0.501 423 V N -1.764 117.934 119.914 -0.359 0.000 2.358 423 V HA -0.257 3.862 4.120 -0.001 0.000 0.246 423 V C 1.929 177.960 176.094 -0.106 0.000 1.047 423 V CA 2.158 64.259 62.300 -0.331 0.000 1.035 423 V CB -0.598 30.936 31.823 -0.482 0.000 0.658 423 V HN 0.494 nan 8.190 nan 0.000 0.452 424 M N 0.021 119.486 119.600 -0.225 0.000 2.755 424 M HA 0.040 4.520 4.480 -0.001 0.000 0.247 424 M C 2.390 178.580 176.300 -0.184 0.000 1.275 424 M CA 1.386 56.571 55.300 -0.192 0.000 1.252 424 M CB 0.414 32.843 32.600 -0.284 0.000 1.215 424 M HN 0.388 nan 8.290 nan 0.000 0.527 425 S N 1.688 117.234 115.700 -0.256 0.000 2.354 425 S HA -0.138 4.331 4.470 -0.001 0.000 0.219 425 S C 1.796 176.325 174.600 -0.117 0.000 1.035 425 S CA 1.595 59.666 58.200 -0.215 0.000 1.037 425 S CB -0.848 62.191 63.200 -0.267 0.000 0.956 425 S HN 0.479 nan 8.310 nan 0.000 0.428 426 L N 1.118 122.237 121.223 -0.173 0.000 2.201 426 L HA -0.017 4.322 4.340 -0.001 0.000 0.212 426 L C 2.738 179.622 176.870 0.022 0.000 1.105 426 L CA 0.988 55.786 54.840 -0.071 0.000 0.775 426 L CB -1.148 40.708 42.059 -0.338 0.000 0.913 426 L HN 0.454 nan 8.230 nan 0.000 0.440 427 G N -0.162 108.623 108.800 -0.026 0.000 2.402 427 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.216 427 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.216 427 G C 1.777 176.869 174.900 0.320 0.000 1.162 427 G CA 0.797 45.982 45.100 0.141 0.000 0.777 427 G HN 0.449 nan 8.290 nan 0.000 0.539 428 A N 0.039 122.933 122.820 0.123 0.000 1.897 428 A HA 0.182 4.501 4.320 -0.001 0.000 0.215 428 A C 2.554 180.153 177.584 0.025 0.000 1.181 428 A CA 1.551 53.621 52.037 0.055 0.000 0.620 428 A CB -0.536 18.432 19.000 -0.053 0.000 0.821 428 A HN 0.219 nan 8.150 nan 0.000 0.443 429 V N -1.182 118.744 119.914 0.020 0.000 2.427 429 V HA -0.198 3.921 4.120 -0.001 0.000 0.248 429 V C 2.248 178.293 176.094 -0.082 0.000 1.051 429 V CA 1.777 63.997 62.300 -0.133 0.000 1.048 429 V CB -0.875 30.929 31.823 -0.031 0.000 0.666 429 V HN 0.538 nan 8.190 nan 0.000 0.456 430 F N 1.116 121.098 119.950 0.054 0.000 2.293 430 F HA 0.125 4.651 4.527 -0.001 0.000 0.297 430 F C 2.340 178.202 175.800 0.102 0.000 1.089 430 F CA 0.953 59.099 58.000 0.243 0.000 1.377 430 F CB -1.262 38.048 39.000 0.516 0.000 1.051 430 F HN 0.176 nan 8.300 nan 0.000 0.511 431 G N 0.318 109.259 108.800 0.235 0.000 2.421 431 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.216 431 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.216 431 G C 1.860 176.722 174.900 -0.063 0.000 1.171 431 G CA 0.983 46.077 45.100 -0.010 0.000 0.775 431 G HN 0.326 nan 8.290 nan 0.000 0.543 432 I N -0.140 120.390 120.570 -0.066 0.000 2.179 432 I HA -0.139 4.030 4.170 -0.001 0.000 0.242 432 I C 2.472 178.520 176.117 -0.114 0.000 1.088 432 I CA 0.922 62.203 61.300 -0.032 0.000 1.357 432 I CB -0.254 37.633 38.000 -0.187 0.000 1.051 432 I HN 0.037 nan 8.210 nan 0.000 0.409 433 F N 0.970 120.706 119.950 -0.357 0.000 2.171 433 F HA -0.185 4.341 4.527 -0.001 0.000 0.300 433 F C 2.588 178.101 175.800 -0.479 0.000 1.090 433 F CA 0.999 58.582 58.000 -0.696 0.000 1.293 433 F CB -1.357 36.534 39.000 -1.849 0.000 1.013 433 F HN 0.019 nan 8.300 nan 0.000 0.486 434 A N 0.449 123.151 122.820 -0.197 0.000 1.865 434 A HA -0.126 4.193 4.320 -0.001 0.000 0.217 434 A C 2.664 180.172 177.584 -0.126 0.000 1.191 434 A CA 2.084 54.075 52.037 -0.076 0.000 0.623 434 A CB -1.604 17.314 19.000 -0.135 0.000 0.826 434 A HN 0.398 nan 8.150 nan 0.000 0.444 435 G N -0.144 108.488 108.800 -0.281 0.000 2.476 435 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.218 435 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.218 435 G C 1.552 176.417 174.900 -0.057 0.000 1.164 435 G CA 1.244 46.019 45.100 -0.541 0.000 0.768 435 G HN 0.486 nan 8.290 nan 0.000 0.560 436 I N -0.809 119.907 120.570 0.244 0.000 2.226 436 I HA -0.179 3.990 4.170 -0.001 0.000 0.245 436 I C 2.469 178.710 176.117 0.206 0.000 1.100 436 I CA 1.075 62.587 61.300 0.353 0.000 1.374 436 I CB -0.179 37.986 38.000 0.275 0.000 1.057 436 I HN 0.158 nan 8.210 nan 0.000 0.413 437 Y N -1.054 119.380 120.300 0.224 0.000 2.314 437 Y HA -0.203 4.347 4.550 -0.001 0.000 0.293 437 Y C 2.201 178.458 175.900 0.596 0.000 1.129 437 Y CA 1.133 59.361 58.100 0.213 0.000 1.201 437 Y CB -0.429 38.011 38.460 -0.034 0.000 0.999 437 Y HN 0.075 nan 8.280 nan 0.000 0.541 438 F N -1.345 118.821 119.950 0.360 0.000 2.186 438 F HA -0.212 4.315 4.527 -0.001 0.000 0.299 438 F C 1.201 177.395 175.800 0.658 0.000 1.090 438 F CA 1.427 59.614 58.000 0.312 0.000 1.307 438 F CB -0.174 38.568 39.000 -0.430 0.000 1.019 438 F HN 0.071 nan 8.300 nan 0.000 0.489 439 W N -1.102 120.484 121.300 0.476 0.000 2.714 439 W HA 0.277 4.937 4.660 -0.001 0.000 0.353 439 W C 1.812 178.516 176.519 0.309 0.000 0.999 439 W CA -0.494 57.009 57.345 0.263 0.000 1.629 439 W CB -0.624 28.816 29.460 -0.033 0.000 1.106 439 W HN -0.043 nan 8.180 nan 0.000 0.545 440 I N 0.327 121.210 120.570 0.521 0.000 2.493 440 I HA -0.122 4.047 4.170 -0.001 0.000 0.254 440 I C 2.211 178.455 176.117 0.213 0.000 1.160 440 I CA 1.887 63.368 61.300 0.302 0.000 1.445 440 I CB -0.346 37.778 38.000 0.208 0.000 1.086 440 I HN -0.085 nan 8.210 nan 0.000 0.433 441 G N 0.502 109.437 108.800 0.224 0.000 2.402 441 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.216 441 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.216 441 G C 1.630 176.634 174.900 0.173 0.000 1.162 441 G CA 0.817 45.858 45.100 -0.098 0.000 0.777 441 G HN 0.228 nan 8.290 nan 0.000 0.539 442 K N 0.358 121.042 120.400 0.474 0.000 2.057 442 K HA 0.078 4.397 4.320 -0.001 0.000 0.207 442 K C 2.461 179.157 176.600 0.161 0.000 1.049 442 K CA 1.295 57.781 56.287 0.331 0.000 0.931 442 K CB -0.368 32.264 32.500 0.220 0.000 0.714 442 K HN 0.360 nan 8.250 nan 0.000 0.440 443 M N -0.551 119.107 119.600 0.098 0.000 2.287 443 M HA -0.032 4.448 4.480 -0.001 0.000 0.266 443 M C 1.881 178.210 176.300 0.049 0.000 1.079 443 M CA 1.547 56.827 55.300 -0.033 0.000 1.146 443 M CB 0.076 32.543 32.600 -0.221 0.000 1.374 443 M HN 0.277 nan 8.290 nan 0.000 0.435 444 S N -1.455 114.274 115.700 0.050 0.000 2.506 444 S HA 0.313 4.782 4.470 -0.001 0.000 0.219 444 S C 1.579 176.181 174.600 0.003 0.000 1.031 444 S CA 0.459 58.675 58.200 0.027 0.000 0.911 444 S CB 0.491 63.702 63.200 0.018 0.000 0.812 444 S HN 0.584 nan 8.310 nan 0.000 0.497 445 G N 1.463 110.264 108.800 0.002 0.000 2.184 445 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.264 445 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.264 445 G C 0.116 174.969 174.900 -0.078 0.000 0.975 445 G CA 0.359 45.442 45.100 -0.028 0.000 0.642 445 G HN 0.628 nan 8.290 nan 0.000 0.536 446 R N -0.791 119.657 120.500 -0.086 0.000 2.854 446 R HA 0.687 5.026 4.340 -0.001 0.000 0.271 446 R C -0.674 175.548 176.300 -0.130 0.000 0.996 446 R CA -0.884 55.148 56.100 -0.114 0.000 0.961 446 R CB 1.370 31.607 30.300 -0.106 0.000 1.182 446 R HN 0.145 nan 8.270 nan 0.000 0.479 447 Q N 1.193 120.908 119.800 -0.143 0.000 2.342 447 Q HA 0.239 4.578 4.340 -0.001 0.000 0.267 447 Q C -1.516 174.463 176.000 -0.035 0.000 1.038 447 Q CA -0.803 54.897 55.803 -0.172 0.000 0.832 447 Q CB 1.239 29.786 28.738 -0.318 0.000 1.323 447 Q HN 0.482 nan 8.270 nan 0.000 0.448 448 Y N 1.760 122.104 120.300 0.075 0.000 2.336 448 Y HA 0.628 5.177 4.550 -0.001 0.000 0.331 448 Y C -2.101 173.885 175.900 0.143 0.000 1.211 448 Y CA -2.566 55.618 58.100 0.141 0.000 1.346 448 Y CB -0.121 38.478 38.460 0.232 0.000 1.271 448 Y HN 0.444 nan 8.280 nan 0.000 0.538 449 P HA -0.009 nan 4.420 nan 0.000 0.266 449 P C 0.011 177.372 177.300 0.101 0.000 1.215 449 P CA 0.124 63.268 63.100 0.073 0.000 0.763 449 P CB 1.529 33.170 31.700 -0.099 0.000 0.806 450 E N 5.098 125.375 120.200 0.127 0.000 2.110 450 E HA -0.171 4.178 4.350 -0.001 0.000 0.193 450 E C 1.634 178.381 176.600 0.244 0.000 0.988 450 E CA 1.480 58.036 56.400 0.261 0.000 0.804 450 E CB -0.618 29.195 29.700 0.189 0.000 0.745 450 E HN 0.629 nan 8.360 nan 0.000 0.458 451 W N 0.021 121.441 121.300 0.200 0.000 2.374 451 W HA -0.051 4.608 4.660 -0.001 0.000 0.288 451 W C 1.648 178.313 176.519 0.244 0.000 1.218 451 W CA 1.187 58.639 57.345 0.178 0.000 1.245 451 W CB -0.941 28.598 29.460 0.130 0.000 1.126 451 W HN 0.175 nan 8.180 nan 0.000 0.545 452 A N 1.807 124.113 122.820 -0.856 0.000 1.975 452 A HA 0.169 4.488 4.320 -0.001 0.000 0.215 452 A C 2.385 179.973 177.584 0.006 0.000 1.170 452 A CA 1.590 53.165 52.037 -0.769 0.000 0.656 452 A CB -1.381 16.878 19.000 -1.236 0.000 0.821 452 A HN 0.354 nan 8.150 nan 0.000 0.449 453 G N 0.100 108.926 108.800 0.042 0.000 2.422 453 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.218 453 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.218 453 G C 1.662 176.480 174.900 -0.137 0.000 1.146 453 G CA 1.068 46.106 45.100 -0.104 0.000 0.769 453 G HN 0.560 nan 8.290 nan 0.000 0.547 454 K N -0.600 119.792 120.400 -0.013 0.000 2.062 454 K HA 0.099 4.418 4.320 -0.001 0.000 0.205 454 K C 2.325 179.034 176.600 0.183 0.000 1.051 454 K CA 0.603 56.902 56.287 0.019 0.000 0.941 454 K CB -0.245 32.347 32.500 0.153 0.000 0.719 454 K HN 0.239 nan 8.250 nan 0.000 0.440 455 L N 1.239 122.601 121.223 0.233 0.000 2.046 455 L HA -0.192 4.147 4.340 -0.001 0.000 0.208 455 L C 2.353 179.301 176.870 0.130 0.000 1.077 455 L CA 1.821 56.779 54.840 0.197 0.000 0.747 455 L CB -0.715 41.425 42.059 0.134 0.000 0.896 455 L HN 0.299 nan 8.230 nan 0.000 0.432 456 H N -1.563 117.579 119.070 0.119 0.000 2.289 456 H HA -0.304 4.251 4.556 -0.001 0.000 0.296 456 H C 2.196 177.532 175.328 0.013 0.000 1.091 456 H CA 2.219 58.379 56.048 0.185 0.000 1.274 456 H CB -0.321 29.680 29.762 0.399 0.000 1.364 456 H HN 0.434 nan 8.280 nan 0.000 0.490 457 F N 0.555 120.158 119.950 -0.578 0.000 2.065 457 F HA -0.277 4.249 4.527 -0.001 0.000 0.298 457 F C 2.008 177.361 175.800 -0.746 0.000 1.112 457 F CA 2.164 59.378 58.000 -1.310 0.000 1.212 457 F CB -0.847 37.111 39.000 -1.738 0.000 0.975 457 F HN 0.209 nan 8.300 nan 0.000 0.476 458 W N 0.061 121.193 121.300 -0.280 0.000 2.388 458 W HA -0.135 4.524 4.660 -0.001 0.000 0.294 458 W C 2.514 178.951 176.519 -0.137 0.000 1.212 458 W CA 0.973 58.192 57.345 -0.210 0.000 1.271 458 W CB -0.411 29.033 29.460 -0.027 0.000 1.126 458 W HN 0.029 nan 8.180 nan 0.000 0.535 459 M N -0.943 118.717 119.600 0.100 0.000 2.117 459 M HA -0.226 4.253 4.480 -0.001 0.000 0.262 459 M C 2.236 178.584 176.300 0.081 0.000 1.065 459 M CA 1.559 56.912 55.300 0.088 0.000 1.114 459 M CB -0.598 32.044 32.600 0.070 0.000 1.361 459 M HN 0.039 nan 8.290 nan 0.000 0.408 460 M N 0.104 119.719 119.600 0.025 0.000 2.099 460 M HA -0.140 4.339 4.480 -0.001 0.000 0.262 460 M C 1.913 178.267 176.300 0.090 0.000 1.067 460 M CA 1.808 57.160 55.300 0.086 0.000 1.124 460 M CB -0.650 32.006 32.600 0.093 0.000 1.353 460 M HN 0.184 nan 8.290 nan 0.000 0.410 461 F N -0.367 119.407 119.950 -0.293 0.000 2.126 461 F HA -0.219 4.307 4.527 -0.001 0.000 0.299 461 F C 1.808 177.602 175.800 -0.011 0.000 1.096 461 F CA 1.867 59.747 58.000 -0.201 0.000 1.255 461 F CB -0.264 38.300 39.000 -0.727 0.000 0.997 461 F HN 0.006 nan 8.300 nan 0.000 0.479 462 V N -0.001 119.973 119.914 0.099 0.000 2.283 462 V HA -0.192 3.927 4.120 -0.001 0.000 0.243 462 V C 2.765 178.852 176.094 -0.011 0.000 1.039 462 V CA 1.893 64.226 62.300 0.055 0.000 1.016 462 V CB -1.594 30.308 31.823 0.131 0.000 0.650 462 V HN 0.508 nan 8.190 nan 0.000 0.449 463 G N -0.218 108.597 108.800 0.026 0.000 2.469 463 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.219 463 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.219 463 G C 1.721 176.592 174.900 -0.049 0.000 1.150 463 G CA 1.290 46.395 45.100 0.008 0.000 0.763 463 G HN 0.625 nan 8.290 nan 0.000 0.561 464 A N 0.659 123.473 122.820 -0.012 0.000 1.929 464 A HA 0.005 4.325 4.320 -0.001 0.000 0.216 464 A C 2.267 179.800 177.584 -0.085 0.000 1.176 464 A CA 1.527 53.562 52.037 -0.003 0.000 0.628 464 A CB -0.346 18.736 19.000 0.136 0.000 0.816 464 A HN 0.353 nan 8.150 nan 0.000 0.444 465 N N 0.126 118.737 118.700 -0.149 0.000 2.188 465 N HA -0.066 4.673 4.740 -0.001 0.000 0.184 465 N C 1.675 177.184 175.510 -0.002 0.000 1.018 465 N CA 1.203 54.208 53.050 -0.075 0.000 0.858 465 N CB -0.291 38.087 38.487 -0.180 0.000 0.989 465 N HN 0.473 nan 8.380 nan 0.000 0.426 466 L N 0.732 121.920 121.223 -0.058 0.000 2.141 466 L HA -0.107 4.232 4.340 -0.001 0.000 0.209 466 L C 2.199 178.982 176.870 -0.143 0.000 1.094 466 L CA 0.921 55.734 54.840 -0.045 0.000 0.763 466 L CB -0.538 41.496 42.059 -0.042 0.000 0.908 466 L HN 0.138 nan 8.230 nan 0.000 0.437 467 T N -0.538 113.826 114.554 -0.317 0.000 2.701 467 T HA -0.112 4.238 4.350 -0.001 0.000 0.263 467 T C 1.424 175.731 174.700 -0.654 0.000 1.040 467 T CA 1.507 63.218 62.100 -0.648 0.000 1.147 467 T CB -0.214 67.972 68.868 -1.138 0.000 0.865 467 T HN 0.125 nan 8.240 nan 0.000 0.426 468 F N -0.660 119.194 119.950 -0.160 0.000 2.582 468 F HA 0.392 4.918 4.527 -0.001 0.000 0.290 468 F C 1.750 177.491 175.800 -0.099 0.000 1.115 468 F CA -1.097 56.791 58.000 -0.185 0.000 1.445 468 F CB -0.619 38.200 39.000 -0.302 0.000 1.126 468 F HN 0.031 nan 8.300 nan 0.000 0.574 469 F N 2.337 122.340 119.950 0.090 0.000 2.102 469 F HA -0.078 4.448 4.527 -0.001 0.000 0.298 469 F C -0.724 174.803 175.800 -0.455 0.000 1.105 469 F CA 1.421 59.400 58.000 -0.036 0.000 1.239 469 F CB -1.472 37.497 39.000 -0.052 0.000 0.991 469 F HN -0.133 nan 8.300 nan 0.000 0.474 470 P HA -0.172 nan 4.420 nan 0.000 0.225 470 P C 1.005 178.041 177.300 -0.439 0.000 1.148 470 P CA 1.463 64.252 63.100 -0.518 0.000 0.779 470 P CB -0.193 31.554 31.700 0.077 0.000 0.780 471 Q N -1.692 117.890 119.800 -0.363 0.000 2.291 471 Q HA -0.176 4.163 4.340 -0.001 0.000 0.205 471 Q C 1.730 177.535 176.000 -0.324 0.000 0.970 471 Q CA 1.053 56.697 55.803 -0.266 0.000 0.876 471 Q CB -0.636 28.027 28.738 -0.125 0.000 0.935 471 Q HN 0.529 nan 8.270 nan 0.000 0.455 472 H N -0.672 118.077 119.070 -0.535 0.000 2.353 472 H HA -0.142 4.414 4.556 -0.001 0.000 0.300 472 H C 1.472 176.724 175.328 -0.126 0.000 1.090 472 H CA 1.538 57.283 56.048 -0.505 0.000 1.327 472 H CB 0.021 29.212 29.762 -0.951 0.000 1.383 472 H HN 0.191 nan 8.280 nan 0.000 0.508 473 F N 0.358 120.247 119.950 -0.101 0.000 2.102 473 F HA -0.121 4.405 4.527 -0.001 0.000 0.298 473 F C 2.228 178.088 175.800 0.100 0.000 1.105 473 F CA 0.850 58.796 58.000 -0.090 0.000 1.239 473 F CB -1.038 37.680 39.000 -0.470 0.000 0.991 473 F HN 0.086 nan 8.300 nan 0.000 0.474 474 L N -0.362 121.017 121.223 0.260 0.000 2.046 474 L HA -0.137 4.202 4.340 -0.001 0.000 0.208 474 L C 2.767 179.769 176.870 0.221 0.000 1.077 474 L CA 1.434 56.403 54.840 0.215 0.000 0.747 474 L CB -1.462 40.551 42.059 -0.077 0.000 0.896 474 L HN 0.264 nan 8.230 nan 0.000 0.432 475 G N -0.168 108.784 108.800 0.253 0.000 2.421 475 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.216 475 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.216 475 G C 1.736 176.952 174.900 0.527 0.000 1.171 475 G CA 0.470 45.792 45.100 0.371 0.000 0.775 475 G HN 0.269 nan 8.290 nan 0.000 0.543 476 R N -0.282 120.532 120.500 0.522 0.000 2.120 476 R HA -0.005 4.335 4.340 -0.001 0.000 0.234 476 R C 2.532 179.094 176.300 0.436 0.000 1.123 476 R CA 1.083 57.458 56.100 0.458 0.000 0.975 476 R CB -0.102 30.395 30.300 0.328 0.000 0.866 476 R HN 0.277 nan 8.270 nan 0.000 0.446 477 Q N -0.688 119.375 119.800 0.438 0.000 2.451 477 Q HA 0.052 4.391 4.340 -0.001 0.000 0.206 477 Q C 0.759 177.077 176.000 0.530 0.000 0.947 477 Q CA 0.954 57.025 55.803 0.446 0.000 0.937 477 Q CB 1.203 30.217 28.738 0.460 0.000 1.025 477 Q HN 0.603 nan 8.270 nan 0.000 0.511 478 G N 1.412 110.478 108.800 0.443 0.000 2.134 478 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.209 478 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.209 478 G C 0.035 174.991 174.900 0.094 0.000 0.993 478 G CA 0.222 45.453 45.100 0.217 0.000 0.669 478 G HN 0.328 nan 8.290 nan 0.000 0.519 479 M N 1.687 121.202 119.600 -0.143 0.000 2.251 479 M HA 0.394 4.873 4.480 -0.001 0.000 0.346 479 M C -2.067 174.052 176.300 -0.301 0.000 1.499 479 M CA -1.475 53.431 55.300 -0.656 0.000 1.128 479 M CB 0.653 32.551 32.600 -1.171 0.000 1.809 479 M HN 0.006 nan 8.290 nan 0.000 0.464 480 P HA 0.203 nan 4.420 nan 0.000 0.274 480 P C -1.111 175.978 177.300 -0.352 0.000 1.237 480 P CA -0.183 62.614 63.100 -0.504 0.000 0.793 480 P CB 0.535 31.654 31.700 -0.968 0.000 0.977 481 R N 1.382 121.733 120.500 -0.248 0.000 2.679 481 R HA 0.284 4.624 4.340 -0.001 0.000 0.269 481 R C 0.489 176.830 176.300 0.068 0.000 1.076 481 R CA -0.225 55.776 56.100 -0.165 0.000 1.160 481 R CB -0.008 30.195 30.300 -0.162 0.000 1.054 481 R HN 0.428 nan 8.270 nan 0.000 0.507 482 R N -0.380 120.288 120.500 0.281 0.000 3.656 482 R HA -0.187 4.152 4.340 -0.001 0.000 0.297 482 R C -1.239 175.419 176.300 0.596 0.000 1.166 482 R CA 0.608 57.006 56.100 0.497 0.000 0.799 482 R CB -1.637 28.856 30.300 0.323 0.000 1.285 482 R HN 0.402 nan 8.270 nan 0.000 0.477 483 Y N -0.081 120.287 120.300 0.113 0.000 2.331 483 Y HA 0.265 4.814 4.550 -0.001 0.000 0.338 483 Y C 1.489 176.858 175.900 -0.886 0.000 0.976 483 Y CA -1.655 56.316 58.100 -0.214 0.000 1.137 483 Y CB 0.938 39.349 38.460 -0.082 0.000 1.172 483 Y HN 0.081 nan 8.280 nan 0.000 0.478 484 I N 1.095 121.117 120.570 -0.914 0.000 2.361 484 I HA -0.174 3.995 4.170 -0.001 0.000 0.251 484 I C 0.030 175.785 176.117 -0.604 0.000 1.133 484 I CA 1.667 62.327 61.300 -1.066 0.000 1.413 484 I CB 0.301 38.060 38.000 -0.402 0.000 1.073 484 I HN 0.579 nan 8.210 nan 0.000 0.424 485 D N -1.769 118.426 120.400 -0.341 0.000 2.583 485 D HA 0.384 5.024 4.640 -0.001 0.000 0.248 485 D C -1.624 174.671 176.300 -0.007 0.000 1.209 485 D CA -0.350 53.500 54.000 -0.250 0.000 0.848 485 D CB 1.547 42.196 40.800 -0.251 0.000 1.431 485 D HN 0.097 nan 8.370 nan 0.000 0.436 486 Y N -1.996 118.321 120.300 0.029 0.000 2.552 486 Y HA 0.676 5.225 4.550 -0.001 0.000 0.337 486 Y C -2.817 173.217 175.900 0.224 0.000 1.094 486 Y CA -2.314 55.886 58.100 0.168 0.000 1.028 486 Y CB 0.391 38.916 38.460 0.108 0.000 1.321 486 Y HN 0.093 nan 8.280 nan 0.000 0.456 487 P HA 0.120 nan 4.420 nan 0.000 0.266 487 P C 0.953 178.436 177.300 0.305 0.000 1.186 487 P CA 1.186 64.469 63.100 0.306 0.000 0.767 487 P CB 0.713 32.565 31.700 0.253 0.000 0.820 488 E N 2.177 122.443 120.200 0.110 0.000 2.160 488 E HA -0.222 4.128 4.350 -0.001 0.000 0.195 488 E C 2.032 178.676 176.600 0.074 0.000 0.991 488 E CA 1.813 58.263 56.400 0.084 0.000 0.810 488 E CB -1.304 28.399 29.700 0.006 0.000 0.742 488 E HN 0.572 nan 8.360 nan 0.000 0.466 489 A N -0.550 122.234 122.820 -0.058 0.000 2.125 489 A HA 0.169 4.489 4.320 -0.001 0.000 0.219 489 A C 1.771 179.255 177.584 -0.165 0.000 1.156 489 A CA 1.190 53.122 52.037 -0.175 0.000 0.671 489 A CB -0.553 18.260 19.000 -0.313 0.000 0.794 489 A HN 0.481 nan 8.150 nan 0.000 0.459 490 F N -0.517 119.506 119.950 0.122 0.000 2.797 490 F HA 0.270 4.797 4.527 -0.001 0.000 0.302 490 F C 2.292 178.063 175.800 -0.048 0.000 1.130 490 F CA -0.125 57.876 58.000 0.001 0.000 1.387 490 F CB -0.466 38.426 39.000 -0.180 0.000 1.107 490 F HN 0.250 nan 8.300 nan 0.000 0.577 491 A N 0.051 123.020 122.820 0.248 0.000 1.865 491 A HA -0.199 4.120 4.320 -0.001 0.000 0.217 491 A C 2.360 179.992 177.584 0.080 0.000 1.191 491 A CA 2.481 54.657 52.037 0.231 0.000 0.623 491 A CB -1.203 17.884 19.000 0.145 0.000 0.826 491 A HN 0.308 nan 8.150 nan 0.000 0.444 492 T N -1.200 113.307 114.554 -0.078 0.000 2.652 492 T HA -0.230 4.119 4.350 -0.001 0.000 0.267 492 T C 1.539 176.109 174.700 -0.217 0.000 1.039 492 T CA 1.751 63.684 62.100 -0.278 0.000 1.153 492 T CB -0.419 68.080 68.868 -0.615 0.000 0.863 492 T HN 0.750 nan 8.240 nan 0.000 0.428 493 W N 1.537 122.913 121.300 0.127 0.000 2.584 493 W HA 0.142 4.801 4.660 -0.001 0.000 0.264 493 W C 2.437 178.955 176.519 -0.003 0.000 1.264 493 W CA -0.481 56.935 57.345 0.119 0.000 1.306 493 W CB -0.278 29.306 29.460 0.208 0.000 1.110 493 W HN 0.181 nan 8.180 nan 0.000 0.606 494 N N 0.246 119.006 118.700 0.101 0.000 2.244 494 N HA -0.165 4.574 4.740 -0.001 0.000 0.183 494 N C 1.491 177.026 175.510 0.040 0.000 1.016 494 N CA 1.264 54.277 53.050 -0.062 0.000 0.866 494 N CB -0.585 37.741 38.487 -0.267 0.000 0.980 494 N HN 0.152 nan 8.380 nan 0.000 0.430 495 F N 1.975 121.915 119.950 -0.017 0.000 2.113 495 F HA -0.113 4.414 4.527 -0.001 0.000 0.297 495 F C 2.220 177.999 175.800 -0.034 0.000 1.103 495 F CA 0.887 58.879 58.000 -0.014 0.000 1.248 495 F CB -0.455 38.539 39.000 -0.009 0.000 0.999 495 F HN -0.265 nan 8.300 nan 0.000 0.475 496 V N -0.420 119.530 119.914 0.061 0.000 2.255 496 V HA -0.328 3.791 4.120 -0.001 0.000 0.247 496 V C 2.669 178.697 176.094 -0.111 0.000 1.051 496 V CA 2.107 64.415 62.300 0.013 0.000 1.018 496 V CB -1.319 30.688 31.823 0.306 0.000 0.641 496 V HN 0.521 nan 8.190 nan 0.000 0.445 497 S N -0.430 115.220 115.700 -0.083 0.000 2.374 497 S HA -0.246 4.224 4.470 -0.001 0.000 0.227 497 S C 2.222 176.575 174.600 -0.413 0.000 1.037 497 S CA 2.245 60.301 58.200 -0.240 0.000 1.024 497 S CB -0.344 62.717 63.200 -0.233 0.000 0.861 497 S HN 0.626 nan 8.310 nan 0.000 0.456 498 S N 1.272 116.698 115.700 -0.457 0.000 2.368 498 S HA 0.070 4.539 4.470 -0.001 0.000 0.224 498 S C 1.794 175.715 174.600 -1.132 0.000 1.029 498 S CA 1.254 58.989 58.200 -0.776 0.000 0.988 498 S CB -0.460 62.385 63.200 -0.592 0.000 0.838 498 S HN 0.472 nan 8.310 nan 0.000 0.462 499 L N 0.943 121.731 121.223 -0.726 0.000 2.012 499 L HA -0.112 4.228 4.340 -0.001 0.000 0.210 499 L C 2.799 179.494 176.870 -0.291 0.000 1.073 499 L CA 1.355 55.932 54.840 -0.439 0.000 0.748 499 L CB -1.320 40.526 42.059 -0.354 0.000 0.891 499 L HN 0.426 nan 8.230 nan 0.000 0.431 500 G N -0.319 108.307 108.800 -0.290 0.000 2.469 500 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.220 500 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.220 500 G C 1.716 176.479 174.900 -0.228 0.000 1.136 500 G CA 0.917 45.887 45.100 -0.215 0.000 0.759 500 G HN 0.497 nan 8.290 nan 0.000 0.562 501 A N 0.087 122.675 122.820 -0.387 0.000 1.968 501 A HA 0.269 4.588 4.320 -0.001 0.000 0.217 501 A C 2.073 179.640 177.584 -0.029 0.000 1.169 501 A CA 1.074 52.932 52.037 -0.299 0.000 0.638 501 A CB -0.346 18.389 19.000 -0.441 0.000 0.812 501 A HN 0.246 nan 8.150 nan 0.000 0.446 502 F N -0.495 119.448 119.950 -0.012 0.000 2.206 502 F HA -0.039 4.488 4.527 -0.001 0.000 0.298 502 F C 1.981 177.868 175.800 0.145 0.000 1.090 502 F CA 0.680 58.727 58.000 0.078 0.000 1.323 502 F CB -1.045 37.967 39.000 0.021 0.000 1.028 502 F HN 0.272 nan 8.300 nan 0.000 0.492 503 L N -0.114 121.251 121.223 0.237 0.000 2.056 503 L HA -0.138 4.201 4.340 -0.001 0.000 0.207 503 L C 2.299 179.289 176.870 0.200 0.000 1.078 503 L CA 1.783 56.730 54.840 0.178 0.000 0.749 503 L CB -1.207 40.912 42.059 0.099 0.000 0.901 503 L HN -0.018 nan 8.230 nan 0.000 0.433 504 S N -0.505 115.306 115.700 0.184 0.000 2.383 504 S HA -0.198 4.271 4.470 -0.001 0.000 0.229 504 S C 1.790 176.607 174.600 0.362 0.000 1.030 504 S CA 1.606 59.946 58.200 0.235 0.000 1.002 504 S CB -0.720 62.580 63.200 0.166 0.000 0.829 504 S HN 0.553 nan 8.310 nan 0.000 0.467 505 F N 2.523 122.603 119.950 0.216 0.000 2.186 505 F HA 0.040 4.566 4.527 -0.001 0.000 0.299 505 F C 2.323 178.307 175.800 0.308 0.000 1.090 505 F CA 0.647 58.810 58.000 0.272 0.000 1.307 505 F CB -0.834 38.312 39.000 0.242 0.000 1.019 505 F HN 0.169 nan 8.300 nan 0.000 0.489 506 A N -0.439 122.508 122.820 0.211 0.000 1.933 506 A HA -0.181 4.138 4.320 -0.001 0.000 0.218 506 A C 2.391 180.069 177.584 0.156 0.000 1.175 506 A CA 1.961 54.060 52.037 0.104 0.000 0.628 506 A CB -1.360 17.729 19.000 0.149 0.000 0.814 506 A HN 0.496 nan 8.150 nan 0.000 0.444 507 S N -1.552 114.289 115.700 0.234 0.000 2.402 507 S HA -0.127 4.342 4.470 -0.001 0.000 0.229 507 S C 1.774 176.618 174.600 0.406 0.000 1.021 507 S CA 1.392 59.787 58.200 0.325 0.000 0.974 507 S CB -0.554 62.852 63.200 0.344 0.000 0.800 507 S HN 0.490 nan 8.310 nan 0.000 0.484 508 F N 1.872 121.945 119.950 0.205 0.000 2.293 508 F HA 0.339 4.865 4.527 -0.001 0.000 0.297 508 F C 1.806 177.697 175.800 0.152 0.000 1.089 508 F CA 0.523 58.657 58.000 0.223 0.000 1.377 508 F CB -0.231 38.928 39.000 0.264 0.000 1.051 508 F HN 0.154 nan 8.300 nan 0.000 0.511 509 L N -1.240 119.974 121.223 -0.015 0.000 2.027 509 L HA -0.201 4.138 4.340 -0.001 0.000 0.206 509 L C 2.387 179.220 176.870 -0.061 0.000 1.074 509 L CA 1.395 56.153 54.840 -0.137 0.000 0.745 509 L CB -0.990 40.945 42.059 -0.207 0.000 0.898 509 L HN 0.152 nan 8.230 nan 0.000 0.433 510 F N 0.728 120.626 119.950 -0.087 0.000 2.091 510 F HA -0.354 4.173 4.527 -0.001 0.000 0.299 510 F C 2.441 178.147 175.800 -0.156 0.000 1.103 510 F CA 1.753 59.713 58.000 -0.068 0.000 1.228 510 F CB -0.475 38.533 39.000 0.013 0.000 0.984 510 F HN 0.026 nan 8.300 nan 0.000 0.477 511 F N 0.800 120.558 119.950 -0.319 0.000 2.120 511 F HA -0.264 4.263 4.527 -0.001 0.000 0.300 511 F C 1.846 177.362 175.800 -0.473 0.000 1.095 511 F CA 2.012 59.633 58.000 -0.631 0.000 1.249 511 F CB -0.777 37.635 39.000 -0.980 0.000 0.995 511 F HN 0.013 nan 8.300 nan 0.000 0.480 512 L N 0.049 120.899 121.223 -0.622 0.000 2.083 512 L HA -0.109 4.230 4.340 -0.001 0.000 0.209 512 L C 2.867 179.508 176.870 -0.381 0.000 1.083 512 L CA 1.253 55.746 54.840 -0.578 0.000 0.752 512 L CB -1.589 40.252 42.059 -0.363 0.000 0.899 512 L HN 0.362 nan 8.230 nan 0.000 0.433 513 G N -0.418 108.182 108.800 -0.333 0.000 2.422 513 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.218 513 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.218 513 G C 1.597 176.359 174.900 -0.229 0.000 1.146 513 G CA 0.878 45.839 45.100 -0.231 0.000 0.769 513 G HN 0.179 nan 8.290 nan 0.000 0.547 514 V N 1.588 121.222 119.914 -0.466 0.000 2.261 514 V HA -0.138 3.982 4.120 -0.001 0.000 0.246 514 V C 2.797 178.756 176.094 -0.225 0.000 1.047 514 V CA 1.196 63.266 62.300 -0.384 0.000 1.015 514 V CB -0.334 31.221 31.823 -0.446 0.000 0.642 514 V HN 0.268 nan 8.190 nan 0.000 0.446 515 I N -0.555 119.762 120.570 -0.422 0.000 2.264 515 I HA -0.244 3.925 4.170 -0.001 0.000 0.248 515 I C 2.329 178.393 176.117 -0.088 0.000 1.111 515 I CA 1.843 62.946 61.300 -0.328 0.000 1.382 515 I CB -1.220 36.446 38.000 -0.557 0.000 1.060 515 I HN 0.339 nan 8.210 nan 0.000 0.418 516 F N 1.441 121.286 119.950 -0.175 0.000 2.051 516 F HA -0.313 4.213 4.527 -0.001 0.000 0.296 516 F C 2.843 178.625 175.800 -0.029 0.000 1.122 516 F CA 1.786 59.739 58.000 -0.078 0.000 1.201 516 F CB -1.019 37.936 39.000 -0.075 0.000 0.978 516 F HN 0.069 nan 8.300 nan 0.000 0.472 517 Y N 0.913 121.166 120.300 -0.079 0.000 2.151 517 Y HA -0.294 4.255 4.550 -0.001 0.000 0.284 517 Y C 2.426 178.232 175.900 -0.156 0.000 1.166 517 Y CA 2.543 60.564 58.100 -0.132 0.000 1.163 517 Y CB -0.971 37.468 38.460 -0.036 0.000 0.974 517 Y HN 0.107 nan 8.280 nan 0.000 0.511 518 T N 1.159 115.720 114.554 0.011 0.000 2.684 518 T HA -0.195 4.154 4.350 -0.001 0.000 0.267 518 T C 1.786 176.380 174.700 -0.177 0.000 1.036 518 T CA 1.948 64.024 62.100 -0.041 0.000 1.148 518 T CB -0.504 68.400 68.868 0.060 0.000 0.863 518 T HN 0.342 nan 8.240 nan 0.000 0.436 519 L N 0.448 121.562 121.223 -0.181 0.000 2.552 519 L HA 0.037 4.376 4.340 -0.001 0.000 0.227 519 L C 2.367 179.069 176.870 -0.280 0.000 1.146 519 L CA 0.676 55.411 54.840 -0.174 0.000 0.858 519 L CB -0.407 41.604 42.059 -0.080 0.000 0.969 519 L HN 0.281 nan 8.230 nan 0.000 0.451 520 T N -1.155 113.142 114.554 -0.429 0.000 3.156 520 T HA 0.114 4.463 4.350 -0.001 0.000 0.236 520 T C 1.625 176.075 174.700 -0.416 0.000 0.978 520 T CA 0.950 62.763 62.100 -0.479 0.000 1.240 520 T CB 0.182 68.609 68.868 -0.735 0.000 0.951 520 T HN 0.289 nan 8.240 nan 0.000 0.420 521 R N 1.352 121.494 120.500 -0.597 0.000 2.698 521 R HA 0.645 4.984 4.340 -0.001 0.000 0.422 521 R C 0.367 176.212 176.300 -0.758 0.000 1.073 521 R CA -0.018 55.735 56.100 -0.578 0.000 1.054 521 R CB -0.035 29.974 30.300 -0.486 0.000 1.373 521 R HN 0.439 nan 8.270 nan 0.000 0.593 522 G N -0.044 108.409 108.800 -0.578 0.000 2.348 522 G HA2 0.562 4.521 3.960 -0.001 0.000 0.312 522 G HA3 0.562 4.521 3.960 -0.001 0.000 0.312 522 G C 0.447 175.255 174.900 -0.153 0.000 1.126 522 G CA 0.103 45.012 45.100 -0.319 0.000 0.865 522 G HN 0.995 nan 8.290 nan 0.000 0.474 523 A N 1.037 123.819 122.820 -0.064 0.000 2.600 523 A HA 0.462 4.781 4.320 -0.001 0.000 0.244 523 A C 1.301 178.824 177.584 -0.101 0.000 1.016 523 A CA 0.909 52.908 52.037 -0.064 0.000 0.778 523 A CB -0.433 18.543 19.000 -0.039 0.000 0.920 523 A HN 1.619 nan 8.150 nan 0.000 0.513 524 R N 1.938 122.384 120.500 -0.091 0.000 2.641 524 R HA 0.494 4.833 4.340 -0.001 0.000 0.269 524 R C -0.093 176.143 176.300 -0.108 0.000 1.074 524 R CA 0.252 56.295 56.100 -0.094 0.000 1.133 524 R CB -0.001 30.258 30.300 -0.069 0.000 1.029 524 R HN 1.094 nan 8.270 nan 0.000 0.488 525 V N 2.241 122.085 119.914 -0.116 0.000 2.432 525 V HA 0.217 4.336 4.120 -0.001 0.000 0.275 525 V C 0.985 177.054 176.094 -0.042 0.000 1.043 525 V CA 0.052 62.276 62.300 -0.127 0.000 0.925 525 V CB 1.374 33.084 31.823 -0.187 0.000 0.985 525 V HN 1.073 nan 8.190 nan 0.000 0.466 526 T N 3.065 117.607 114.554 -0.021 0.000 2.904 526 T HA 0.182 4.531 4.350 -0.001 0.000 0.243 526 T C 0.986 175.715 174.700 0.048 0.000 1.024 526 T CA 0.835 62.942 62.100 0.010 0.000 1.158 526 T CB 0.112 68.983 68.868 0.005 0.000 0.867 526 T HN 0.762 nan 8.240 nan 0.000 0.429 527 A N 1.829 124.694 122.820 0.075 0.000 2.386 527 A HA 0.345 4.664 4.320 -0.001 0.000 0.248 527 A C 1.089 178.777 177.584 0.173 0.000 1.082 527 A CA -0.506 51.596 52.037 0.108 0.000 0.789 527 A CB 0.136 19.195 19.000 0.098 0.000 1.025 527 A HN 0.268 nan 8.150 nan 0.000 0.490 528 N N 0.748 119.539 118.700 0.152 0.000 2.058 528 N HA -0.099 4.640 4.740 -0.001 0.000 0.191 528 N C 0.333 176.011 175.510 0.279 0.000 1.037 528 N CA 1.428 54.595 53.050 0.194 0.000 0.848 528 N CB -0.173 38.404 38.487 0.151 0.000 1.021 528 N HN 0.688 nan 8.380 nan 0.000 0.422 529 N N 0.410 119.219 118.700 0.181 0.000 2.546 529 N HA 0.024 4.764 4.740 -0.001 0.000 0.238 529 N C -0.592 174.840 175.510 -0.129 0.000 0.984 529 N CA -0.356 52.716 53.050 0.037 0.000 0.935 529 N CB 0.256 38.745 38.487 0.003 0.000 1.122 529 N HN 0.234 nan 8.380 nan 0.000 0.510 530 Y N 1.199 121.380 120.300 -0.199 0.000 2.461 530 Y HA 0.380 4.930 4.550 -0.001 0.000 0.277 530 Y C 0.757 176.375 175.900 -0.470 0.000 1.182 530 Y CA -0.829 57.068 58.100 -0.339 0.000 1.276 530 Y CB -0.321 37.901 38.460 -0.396 0.000 1.087 530 Y HN 0.346 nan 8.280 nan 0.000 0.519 531 W N 2.001 123.065 121.300 -0.392 0.000 3.549 531 W HA 0.237 4.896 4.660 -0.001 0.000 0.260 531 W C 0.102 176.457 176.519 -0.273 0.000 1.572 531 W CA 0.252 57.383 57.345 -0.357 0.000 2.140 531 W CB -0.136 28.898 29.460 -0.710 0.000 1.431 531 W HN 0.074 nan 8.180 nan 0.000 0.525 532 N N -1.309 117.342 118.700 -0.082 0.000 3.020 532 N HA 0.021 4.760 4.740 -0.001 0.000 0.248 532 N C 0.105 175.525 175.510 -0.149 0.000 1.480 532 N CA -0.388 52.614 53.050 -0.081 0.000 0.874 532 N CB 0.424 38.900 38.487 -0.017 0.000 1.433 532 N HN 0.135 nan 8.380 nan 0.000 0.530 533 E N -0.460 119.656 120.200 -0.139 0.000 2.418 533 E HA -0.161 4.189 4.350 -0.001 0.000 0.197 533 E C 0.012 176.426 176.600 -0.309 0.000 1.026 533 E CA 1.288 57.556 56.400 -0.219 0.000 0.862 533 E CB -0.530 29.025 29.700 -0.242 0.000 0.799 533 E HN 0.758 nan 8.360 nan 0.000 0.518 534 H N 1.070 120.062 119.070 -0.130 0.000 2.548 534 H HA 0.325 4.880 4.556 -0.001 0.000 0.265 534 H C 0.574 175.804 175.328 -0.162 0.000 0.969 534 H CA 0.611 56.584 56.048 -0.124 0.000 1.155 534 H CB 0.387 30.077 29.762 -0.120 0.000 1.394 534 H HN 0.244 nan 8.280 nan 0.000 0.570 535 A N 1.927 124.636 122.820 -0.184 0.000 2.805 535 A HA 0.079 4.398 4.320 -0.001 0.000 0.301 535 A C -0.026 177.505 177.584 -0.089 0.000 1.557 535 A CA -0.315 51.549 52.037 -0.288 0.000 1.254 535 A CB -0.479 17.981 19.000 -0.899 0.000 1.114 535 A HN 0.431 nan 8.150 nan 0.000 0.553 536 D N 1.228 121.667 120.400 0.065 0.000 2.670 536 D HA 0.098 4.737 4.640 -0.001 0.000 0.255 536 D C 0.314 176.719 176.300 0.175 0.000 1.286 536 D CA 0.128 54.186 54.000 0.096 0.000 0.830 536 D CB -0.443 40.367 40.800 0.016 0.000 1.065 536 D HN 0.352 nan 8.370 nan 0.000 0.486 537 T N -3.101 111.656 114.554 0.338 0.000 2.952 537 T HA 0.431 4.780 4.350 -0.001 0.000 0.286 537 T C 1.487 176.392 174.700 0.342 0.000 1.024 537 T CA -0.892 61.387 62.100 0.299 0.000 1.029 537 T CB 1.481 70.489 68.868 0.233 0.000 1.094 537 T HN -0.049 nan 8.240 nan 0.000 0.515 538 L N 0.878 122.267 121.223 0.277 0.000 2.187 538 L HA -0.099 4.241 4.340 -0.001 0.000 0.213 538 L C 3.013 179.987 176.870 0.173 0.000 1.100 538 L CA 1.495 56.461 54.840 0.210 0.000 0.765 538 L CB -0.620 41.542 42.059 0.171 0.000 0.904 538 L HN 0.859 nan 8.230 nan 0.000 0.437 539 E N 0.008 120.303 120.200 0.158 0.000 2.204 539 E HA -0.246 4.103 4.350 -0.001 0.000 0.194 539 E C 1.633 178.153 176.600 -0.134 0.000 0.989 539 E CA 1.223 57.612 56.400 -0.017 0.000 0.824 539 E CB -0.460 29.232 29.700 -0.013 0.000 0.756 539 E HN 0.630 nan 8.360 nan 0.000 0.477 540 W N 1.247 122.661 121.300 0.190 0.000 3.047 540 W HA 0.143 4.802 4.660 -0.001 0.000 0.250 540 W C 2.036 178.596 176.519 0.069 0.000 1.314 540 W CA 0.535 57.935 57.345 0.092 0.000 1.540 540 W CB 0.237 29.726 29.460 0.048 0.000 1.127 540 W HN -0.028 nan 8.180 nan 0.000 0.679 541 T N 0.994 115.686 114.554 0.231 0.000 2.942 541 T HA 0.056 4.405 4.350 -0.001 0.000 0.265 541 T C 0.989 175.756 174.700 0.112 0.000 1.062 541 T CA 0.571 62.761 62.100 0.150 0.000 1.139 541 T CB -0.172 68.769 68.868 0.122 0.000 0.883 541 T HN -0.187 nan 8.240 nan 0.000 0.468 542 L N 0.732 122.012 121.223 0.096 0.000 2.468 542 L HA 0.363 4.703 4.340 -0.001 0.000 0.254 542 L C 1.121 178.041 176.870 0.083 0.000 1.171 542 L CA -0.684 54.197 54.840 0.069 0.000 0.809 542 L CB 0.159 42.243 42.059 0.041 0.000 1.155 542 L HN -0.034 nan 8.230 nan 0.000 0.473 543 T N -0.707 113.887 114.554 0.067 0.000 2.698 543 T HA 0.205 4.554 4.350 -0.001 0.000 0.295 543 T C -0.052 174.703 174.700 0.092 0.000 1.007 543 T CA -0.415 61.731 62.100 0.077 0.000 0.980 543 T CB 0.545 69.444 68.868 0.051 0.000 1.036 543 T HN 0.565 nan 8.240 nan 0.000 0.526 544 S N 3.637 119.399 115.700 0.103 0.000 2.718 544 S HA 0.446 4.915 4.470 -0.001 0.000 0.294 544 S C -2.593 172.046 174.600 0.065 0.000 1.157 544 S CA -0.917 57.354 58.200 0.119 0.000 1.121 544 S CB 1.495 64.817 63.200 0.202 0.000 1.015 544 S HN 0.643 nan 8.310 nan 0.000 0.479 545 P HA 0.392 nan 4.420 nan 0.000 0.276 545 P C -2.906 174.416 177.300 0.036 0.000 1.244 545 P CA -1.840 61.296 63.100 0.059 0.000 0.801 545 P CB -0.452 31.274 31.700 0.044 0.000 1.006 546 P HA 0.119 nan 4.420 nan 0.000 0.268 546 P C -2.071 175.203 177.300 -0.043 0.000 1.208 546 P CA -0.717 62.375 63.100 -0.014 0.000 0.777 546 P CB -1.182 30.486 31.700 -0.054 0.000 0.875 547 P HA 0.070 nan 4.420 nan 0.000 0.272 547 P C 1.002 178.266 177.300 -0.060 0.000 1.223 547 P CA 0.127 63.212 63.100 -0.025 0.000 0.784 547 P CB 0.306 32.009 31.700 0.006 0.000 0.923 548 E N 1.807 121.979 120.200 -0.046 0.000 2.113 548 E HA -0.251 4.098 4.350 -0.001 0.000 0.210 548 E C 0.211 176.694 176.600 -0.195 0.000 1.040 548 E CA 1.849 58.188 56.400 -0.101 0.000 0.847 548 E CB -1.572 28.126 29.700 -0.002 0.000 0.755 548 E HN 0.762 nan 8.360 nan 0.000 0.459 549 H N -0.229 118.794 119.070 -0.078 0.000 2.556 549 H HA 0.500 5.055 4.556 -0.001 0.000 0.310 549 H C 0.491 175.786 175.328 -0.055 0.000 1.057 549 H CA 0.255 56.264 56.048 -0.065 0.000 1.264 549 H CB 1.654 31.388 29.762 -0.046 0.000 1.404 549 H HN 0.468 nan 8.280 nan 0.000 0.462 550 T N 0.000 114.561 114.554 0.011 0.000 3.816 550 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 550 T CA 0.000 62.104 62.100 0.007 0.000 1.349 550 T CB 0.000 68.854 68.868 -0.024 0.000 0.612 550 T HN 0.000 nan 8.240 nan 0.000 0.658