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 3lrm_1_B DATA FIRST_RESID 19 DATA SEQUENCE VSPSYNGLGL TPQMGWDNWN TFAcDVSEQL LLDTADRISD LGLKDMGYKY DATA SEQUENCE IILDDcWSSG RDSDGFLVAD EQKFPNGMGH VADHLHNNSF LFGMYSSAGE DATA SEQUENCE YTcAGYPGSL GREEEDAQFF ANNRVDYLKY ANcYNKGQFG TPEISYHRYK DATA SEQUENCE AMSDALNKTG RPVFYSLCNW GQDLTFYWGS GIANSWRMSG DVTAEFTRPD DATA SEQUENCE SRcPcDGDEY DcKYAGFHcS IMNILNKAAP MGQNAGVGGW NDLDNLEVGV DATA SEQUENCE GNLTDDEEKA HFSMWAMVKS PLIIGANVNN LKASSYSIYS QASVIAINQD DATA SEQUENCE SNGIPATRVW RYYVSDTDEY GQGEIQMWSG PLDNGDQVVA LLNGGSVSRP DATA SEQUENCE MNTTLEEIFF DSNLGSKKLT STWDIYDLWA NRVDNSTASA ILGRNKTATG DATA SEQUENCE ILYNATEQSY KDGLSKNDTR LFGQKIGSLS PNAILNTTVP AHGIAFYRLR DATA SEQUENCE PS 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 19 V HA 0.000 nan 4.120 nan 0.000 0.244 19 V C 0.000 176.095 176.094 0.001 0.000 1.182 19 V CA 0.000 62.299 62.300 -0.001 0.000 1.235 19 V CB 0.000 31.827 31.823 0.007 0.000 1.184 20 S N 1.824 117.520 115.700 -0.008 0.000 2.565 20 S HA 0.894 5.364 4.470 0.001 0.000 0.269 20 S C -3.141 171.459 174.600 0.001 0.000 1.153 20 S CA -0.925 57.277 58.200 0.004 0.000 0.835 20 S CB 1.888 65.094 63.200 0.011 0.000 1.122 20 S HN 1.124 nan 8.310 nan 0.000 0.462 21 P HA 0.218 nan 4.420 nan 0.000 0.269 21 P C -0.014 177.301 177.300 0.024 0.000 1.215 21 P CA -0.144 62.965 63.100 0.015 0.000 0.780 21 P CB 0.462 32.174 31.700 0.020 0.000 0.898 22 S N 1.253 116.961 115.700 0.012 0.000 2.544 22 S HA -0.058 4.412 4.470 0.001 0.000 0.290 22 S C 1.367 175.997 174.600 0.048 0.000 1.276 22 S CA -0.372 57.844 58.200 0.027 0.000 1.075 22 S CB -0.458 62.737 63.200 -0.009 0.000 0.849 22 S HN 0.507 nan 8.310 nan 0.000 0.494 23 Y N 4.855 125.143 120.300 -0.021 0.000 2.315 23 Y HA -0.079 4.472 4.550 0.001 0.000 0.288 23 Y C 1.406 177.306 175.900 -0.000 0.000 1.154 23 Y CA 1.707 59.807 58.100 0.001 0.000 1.229 23 Y CB -0.210 38.262 38.460 0.021 0.000 0.980 23 Y HN 0.758 nan 8.280 nan 0.000 0.540 24 N N -0.828 117.405 118.700 -0.778 0.000 2.143 24 N HA 0.200 4.940 4.740 0.001 0.000 0.229 24 N C 1.212 176.535 175.510 -0.311 0.000 1.294 24 N CA 0.389 53.009 53.050 -0.717 0.000 0.883 24 N CB 0.553 38.337 38.487 -1.173 0.000 1.148 24 N HN 0.523 nan 8.380 nan 0.000 0.511 25 G N 0.474 109.164 108.800 -0.184 0.000 2.199 25 G HA2 -0.253 3.708 3.960 0.001 0.000 0.254 25 G HA3 -0.253 3.708 3.960 0.001 0.000 0.254 25 G C -0.283 174.607 174.900 -0.017 0.000 0.982 25 G CA 0.608 45.667 45.100 -0.068 0.000 0.632 25 G HN 0.323 nan 8.290 nan 0.000 0.529 26 L N -0.295 120.896 121.223 -0.053 0.000 2.400 26 L HA 0.638 4.979 4.340 0.001 0.000 0.264 26 L C 1.695 178.588 176.870 0.038 0.000 1.061 26 L CA -0.076 54.786 54.840 0.036 0.000 0.799 26 L CB 1.275 43.350 42.059 0.026 0.000 1.240 26 L HN 1.011 nan 8.230 nan 0.000 0.461 27 G N 0.962 109.909 108.800 0.244 0.000 2.272 27 G HA2 -0.243 3.718 3.960 0.001 0.000 0.280 27 G HA3 -0.243 3.718 3.960 0.001 0.000 0.280 27 G C 0.584 175.759 174.900 0.458 0.000 1.067 27 G CA 0.310 45.669 45.100 0.432 0.000 0.902 27 G HN 0.535 nan 8.290 nan 0.000 0.500 28 L N -0.234 121.195 121.223 0.344 0.000 2.275 28 L HA 0.086 4.427 4.340 0.001 0.000 0.215 28 L C 1.935 179.074 176.870 0.449 0.000 1.119 28 L CA 1.685 56.709 54.840 0.306 0.000 0.790 28 L CB -0.587 41.592 42.059 0.200 0.000 0.919 28 L HN 0.692 nan 8.230 nan 0.000 0.443 29 T N -4.527 110.275 114.554 0.413 0.000 2.907 29 T HA 0.515 4.866 4.350 0.001 0.000 0.290 29 T C -2.809 171.897 174.700 0.009 0.000 1.066 29 T CA -2.265 59.949 62.100 0.189 0.000 1.012 29 T CB 1.984 70.865 68.868 0.021 0.000 1.184 29 T HN -0.336 nan 8.240 nan 0.000 0.522 30 P HA 0.125 nan 4.420 nan 0.000 0.268 30 P C -0.068 177.125 177.300 -0.178 0.000 1.205 30 P CA -0.323 62.367 63.100 -0.684 0.000 0.771 30 P CB 0.356 31.529 31.700 -0.879 0.000 0.858 31 Q N 3.682 123.448 119.800 -0.055 0.000 2.421 31 Q HA 0.232 4.572 4.340 0.001 0.000 0.255 31 Q C -0.823 175.120 176.000 -0.095 0.000 1.013 31 Q CA 0.588 56.305 55.803 -0.143 0.000 0.895 31 Q CB 0.486 28.800 28.738 -0.707 0.000 1.271 31 Q HN 0.442 nan 8.270 nan 0.000 0.460 32 M N 0.539 120.153 119.600 0.023 0.000 2.572 32 M HA 0.773 5.254 4.480 0.001 0.000 0.299 32 M C -0.126 176.306 176.300 0.221 0.000 1.205 32 M CA -0.311 55.008 55.300 0.032 0.000 0.876 32 M CB 2.832 35.310 32.600 -0.203 0.000 1.728 32 M HN 1.031 nan 8.290 nan 0.000 0.458 33 G N 0.687 109.714 108.800 0.377 0.000 2.513 33 G HA2 0.282 4.242 3.960 0.001 0.000 0.182 33 G HA3 0.282 4.242 3.960 0.001 0.000 0.182 33 G C -2.938 172.211 174.900 0.415 0.000 1.190 33 G CA -0.688 44.661 45.100 0.414 0.000 0.987 33 G HN 0.803 nan 8.290 nan 0.000 0.479 34 W N 0.905 122.247 121.300 0.071 0.000 3.296 34 W HA 0.682 5.343 4.660 0.001 0.000 0.314 34 W C -2.172 174.369 176.519 0.037 0.000 1.238 34 W CA -0.518 56.844 57.345 0.027 0.000 1.193 34 W CB 2.087 31.532 29.460 -0.026 0.000 1.383 34 W HN 0.619 nan 8.180 nan 0.000 0.545 35 D N 2.580 122.417 120.400 -0.939 0.000 2.879 35 D HA 0.136 4.777 4.640 0.001 0.000 0.236 35 D C 0.304 175.820 176.300 -1.307 0.000 1.171 35 D CA -0.336 53.133 54.000 -0.884 0.000 0.868 35 D CB 1.712 42.335 40.800 -0.296 0.000 1.598 35 D HN 0.661 nan 8.370 nan 0.000 0.497 36 N N 2.547 120.677 118.700 -0.949 0.000 2.515 36 N HA -0.063 4.677 4.740 0.001 0.000 0.185 36 N C 1.670 177.251 175.510 0.118 0.000 1.109 36 N CA -0.028 52.852 53.050 -0.283 0.000 0.903 36 N CB 0.069 38.593 38.487 0.062 0.000 0.969 36 N HN 0.481 nan 8.380 nan 0.000 0.450 37 W N 1.956 123.169 121.300 -0.144 0.000 2.353 37 W HA -0.135 4.526 4.660 0.001 0.000 0.319 37 W C 0.764 177.249 176.519 -0.057 0.000 1.207 37 W CA 1.251 58.560 57.345 -0.060 0.000 1.291 37 W CB -0.423 28.998 29.460 -0.065 0.000 1.159 37 W HN 0.125 nan 8.180 nan 0.000 0.478 38 N N -0.210 118.464 118.700 -0.045 0.000 2.322 38 N HA -0.186 4.554 4.740 0.001 0.000 0.189 38 N C 1.457 176.805 175.510 -0.269 0.000 1.012 38 N CA 2.833 55.800 53.050 -0.138 0.000 0.880 38 N CB -0.455 38.013 38.487 -0.031 0.000 0.967 38 N HN 0.413 nan 8.380 nan 0.000 0.439 39 T N -4.766 109.569 114.554 -0.365 0.000 3.176 39 T HA 0.170 4.521 4.350 0.001 0.000 0.259 39 T C 1.441 175.807 174.700 -0.556 0.000 0.978 39 T CA -0.239 61.541 62.100 -0.534 0.000 1.050 39 T CB -0.514 67.874 68.868 -0.801 0.000 1.136 39 T HN 0.048 nan 8.240 nan 0.000 0.465 40 F N 2.734 122.620 119.950 -0.106 0.000 2.743 40 F HA 0.668 5.196 4.527 0.001 0.000 0.297 40 F C 2.183 177.881 175.800 -0.171 0.000 1.131 40 F CA -0.102 57.853 58.000 -0.075 0.000 1.426 40 F CB -0.494 38.532 39.000 0.042 0.000 1.116 40 F HN 0.476 nan 8.300 nan 0.000 0.583 41 A N 0.327 122.975 122.820 -0.287 0.000 5.395 41 A HA -0.406 3.914 4.320 0.001 0.000 0.332 41 A C 1.845 179.417 177.584 -0.020 0.000 1.754 41 A CA 1.705 53.297 52.037 -0.741 0.000 0.716 41 A CB -1.909 16.585 19.000 -0.845 0.000 1.411 41 A HN 0.415 nan 8.150 nan 0.000 0.398 42 c N -0.343 118.300 118.600 0.073 0.000 2.432 42 c HA 0.105 4.675 4.570 0.001 0.000 0.280 42 c C 1.178 175.375 174.090 0.179 0.000 1.353 42 c CA 1.026 57.499 56.329 0.241 0.000 1.766 42 c CB -1.406 41.253 42.510 0.248 0.000 1.924 42 c HN 0.682 nan 8.230 nan 0.000 0.509 43 D N 0.822 121.303 120.400 0.135 0.000 2.348 43 D HA 0.302 4.943 4.640 0.001 0.000 0.259 43 D C -0.048 176.324 176.300 0.120 0.000 1.296 43 D CA 0.538 54.609 54.000 0.119 0.000 0.931 43 D CB 0.352 41.220 40.800 0.113 0.000 1.067 43 D HN 0.348 nan 8.370 nan 0.000 0.503 44 V N 0.456 120.418 119.914 0.080 0.000 3.181 44 V HA 0.951 5.072 4.120 0.001 0.000 0.308 44 V C -0.536 175.492 176.094 -0.110 0.000 1.214 44 V CA -0.754 61.578 62.300 0.053 0.000 1.053 44 V CB 1.944 33.905 31.823 0.230 0.000 1.069 44 V HN 0.501 nan 8.190 nan 0.000 0.441 45 S N -0.687 114.897 115.700 -0.194 0.000 2.615 45 S HA 0.416 4.887 4.470 0.001 0.000 0.268 45 S C 0.413 174.838 174.600 -0.292 0.000 1.146 45 S CA 0.084 58.012 58.200 -0.453 0.000 0.818 45 S CB 1.519 64.564 63.200 -0.258 0.000 1.111 45 S HN 1.173 nan 8.310 nan 0.000 0.465 46 E N 0.222 120.235 120.200 -0.312 0.000 2.077 46 E HA -0.249 4.102 4.350 0.001 0.000 0.193 46 E C 1.719 178.319 176.600 -0.001 0.000 0.989 46 E CA 1.696 58.140 56.400 0.074 0.000 0.800 46 E CB -0.163 29.609 29.700 0.120 0.000 0.746 46 E HN 0.581 nan 8.360 nan 0.000 0.452 47 Q N 0.513 120.269 119.800 -0.073 0.000 2.046 47 Q HA -0.147 4.193 4.340 0.001 0.000 0.200 47 Q C 2.186 178.116 176.000 -0.117 0.000 0.975 47 Q CA 1.358 57.107 55.803 -0.090 0.000 0.836 47 Q CB -0.429 28.256 28.738 -0.087 0.000 0.896 47 Q HN 0.375 nan 8.270 nan 0.000 0.428 48 L N -0.369 120.774 121.223 -0.133 0.000 2.013 48 L HA -0.173 4.167 4.340 0.001 0.000 0.212 48 L C 1.983 178.750 176.870 -0.171 0.000 1.073 48 L CA 1.690 56.413 54.840 -0.196 0.000 0.753 48 L CB -0.794 41.108 42.059 -0.263 0.000 0.890 48 L HN 0.372 nan 8.230 nan 0.000 0.432 49 L N -1.037 120.158 121.223 -0.047 0.000 1.994 49 L HA -0.188 4.152 4.340 0.001 0.000 0.208 49 L C 2.367 179.152 176.870 -0.142 0.000 1.071 49 L CA 1.873 56.720 54.840 0.012 0.000 0.745 49 L CB -0.562 41.606 42.059 0.182 0.000 0.892 49 L HN 0.275 nan 8.230 nan 0.000 0.431 50 L N -1.200 119.939 121.223 -0.140 0.000 2.056 50 L HA -0.193 4.147 4.340 0.001 0.000 0.207 50 L C 2.205 178.936 176.870 -0.231 0.000 1.078 50 L CA 1.055 55.765 54.840 -0.217 0.000 0.749 50 L CB -0.766 41.136 42.059 -0.261 0.000 0.901 50 L HN 0.256 nan 8.230 nan 0.000 0.433 51 D N -0.339 119.940 120.400 -0.203 0.000 2.104 51 D HA -0.166 4.475 4.640 0.001 0.000 0.194 51 D C 2.174 178.329 176.300 -0.241 0.000 0.994 51 D CA 1.727 55.613 54.000 -0.189 0.000 0.830 51 D CB -0.338 40.367 40.800 -0.159 0.000 0.959 51 D HN 0.191 nan 8.370 nan 0.000 0.452 52 T N 0.675 115.028 114.554 -0.335 0.000 2.684 52 T HA -0.167 4.183 4.350 0.001 0.000 0.267 52 T C 1.979 176.357 174.700 -0.537 0.000 1.036 52 T CA 1.714 63.506 62.100 -0.514 0.000 1.148 52 T CB -0.444 67.921 68.868 -0.839 0.000 0.863 52 T HN 0.217 nan 8.240 nan 0.000 0.436 53 A N 2.257 124.764 122.820 -0.521 0.000 1.873 53 A HA -0.234 4.087 4.320 0.001 0.000 0.218 53 A C 2.105 179.567 177.584 -0.203 0.000 1.193 53 A CA 2.174 53.852 52.037 -0.598 0.000 0.629 53 A CB -0.925 17.706 19.000 -0.616 0.000 0.826 53 A HN 0.408 nan 8.150 nan 0.000 0.447 54 D N -0.863 119.465 120.400 -0.120 0.000 2.116 54 D HA -0.186 4.454 4.640 0.001 0.000 0.193 54 D C 2.057 178.341 176.300 -0.026 0.000 0.998 54 D CA 1.795 55.786 54.000 -0.015 0.000 0.836 54 D CB -0.389 40.376 40.800 -0.058 0.000 0.951 54 D HN 0.462 nan 8.370 nan 0.000 0.449 55 R N 0.778 121.212 120.500 -0.111 0.000 2.091 55 R HA -0.046 4.295 4.340 0.001 0.000 0.238 55 R C 2.277 178.524 176.300 -0.088 0.000 1.136 55 R CA 0.979 57.008 56.100 -0.118 0.000 0.959 55 R CB -0.737 29.459 30.300 -0.174 0.000 0.856 55 R HN 0.203 nan 8.270 nan 0.000 0.437 56 I N -0.053 120.453 120.570 -0.107 0.000 2.226 56 I HA -0.270 3.901 4.170 0.001 0.000 0.245 56 I C 2.404 178.604 176.117 0.139 0.000 1.100 56 I CA 1.630 62.920 61.300 -0.017 0.000 1.374 56 I CB -0.384 37.584 38.000 -0.054 0.000 1.057 56 I HN 0.292 nan 8.210 nan 0.000 0.413 57 S N 0.416 116.255 115.700 0.231 0.000 2.368 57 S HA -0.206 4.265 4.470 0.001 0.000 0.224 57 S C 1.708 176.338 174.600 0.051 0.000 1.029 57 S CA 1.698 59.974 58.200 0.128 0.000 0.988 57 S CB -0.232 63.047 63.200 0.132 0.000 0.838 57 S HN 0.367 nan 8.310 nan 0.000 0.462 58 D N 1.219 121.639 120.400 0.033 0.000 2.144 58 D HA -0.011 4.629 4.640 0.001 0.000 0.199 58 D C 1.657 177.967 176.300 0.016 0.000 0.984 58 D CA 0.824 54.828 54.000 0.008 0.000 0.834 58 D CB -0.316 40.473 40.800 -0.018 0.000 0.955 58 D HN 0.397 nan 8.370 nan 0.000 0.465 59 L N -0.506 120.731 121.223 0.023 0.000 2.610 59 L HA 0.115 4.455 4.340 0.001 0.000 0.232 59 L C 1.600 178.580 176.870 0.182 0.000 1.149 59 L CA 0.488 55.372 54.840 0.073 0.000 0.872 59 L CB -0.238 41.841 42.059 0.034 0.000 0.992 59 L HN 0.141 nan 8.230 nan 0.000 0.447 60 G N -0.215 108.656 108.800 0.117 0.000 2.179 60 G HA2 -0.311 3.650 3.960 0.001 0.000 0.260 60 G HA3 -0.311 3.650 3.960 0.001 0.000 0.260 60 G C 0.880 175.868 174.900 0.146 0.000 0.977 60 G CA 0.477 45.643 45.100 0.110 0.000 0.641 60 G HN 0.333 nan 8.290 nan 0.000 0.533 61 L N 0.074 121.402 121.223 0.174 0.000 2.093 61 L HA 0.028 4.368 4.340 0.001 0.000 0.208 61 L C 2.779 179.850 176.870 0.336 0.000 1.085 61 L CA 1.895 56.881 54.840 0.244 0.000 0.755 61 L CB -0.398 41.690 42.059 0.048 0.000 0.904 61 L HN 0.382 nan 8.230 nan 0.000 0.435 62 K N 0.420 120.942 120.400 0.205 0.000 2.044 62 K HA -0.236 4.084 4.320 0.001 0.000 0.210 62 K C 1.345 177.964 176.600 0.032 0.000 1.049 62 K CA 1.975 58.320 56.287 0.098 0.000 0.927 62 K CB -0.054 32.313 32.500 -0.220 0.000 0.713 62 K HN 0.287 nan 8.250 nan 0.000 0.443 63 D N 0.121 120.531 120.400 0.016 0.000 2.363 63 D HA -0.046 4.595 4.640 0.001 0.000 0.226 63 D C 1.524 177.852 176.300 0.047 0.000 1.020 63 D CA 0.617 54.609 54.000 -0.014 0.000 0.892 63 D CB 0.182 40.954 40.800 -0.047 0.000 0.900 63 D HN 0.400 nan 8.370 nan 0.000 0.531 64 M N -1.036 118.660 119.600 0.159 0.000 2.541 64 M HA 0.114 4.595 4.480 0.001 0.000 0.252 64 M C 1.365 177.782 176.300 0.196 0.000 1.125 64 M CA 0.716 56.161 55.300 0.241 0.000 1.091 64 M CB 0.847 33.662 32.600 0.357 0.000 1.420 64 M HN 0.139 nan 8.290 nan 0.000 0.486 65 G N -0.826 108.034 108.800 0.100 0.000 2.551 65 G HA2 -0.191 3.769 3.960 0.001 0.000 0.186 65 G HA3 -0.191 3.769 3.960 0.001 0.000 0.186 65 G C -0.213 174.674 174.900 -0.021 0.000 1.002 65 G CA -0.716 44.397 45.100 0.022 0.000 0.723 65 G HN 0.375 nan 8.290 nan 0.000 0.481 66 Y N 2.607 122.996 120.300 0.147 0.000 2.790 66 Y HA 0.329 4.880 4.550 0.001 0.000 0.348 66 Y C 1.927 177.953 175.900 0.210 0.000 1.183 66 Y CA 0.754 58.958 58.100 0.173 0.000 2.002 66 Y CB -0.036 38.524 38.460 0.166 0.000 2.086 66 Y HN 0.239 nan 8.280 nan 0.000 0.412 67 K N 0.156 120.687 120.400 0.218 0.000 2.186 67 K HA -0.026 4.295 4.320 0.001 0.000 0.202 67 K C -0.459 176.233 176.600 0.152 0.000 1.052 67 K CA 0.526 56.880 56.287 0.112 0.000 0.965 67 K CB 0.177 32.574 32.500 -0.171 0.000 0.746 67 K HN 0.295 nan 8.250 nan 0.000 0.457 68 Y N 1.389 121.772 120.300 0.138 0.000 2.404 68 Y HA 0.124 4.674 4.550 0.001 0.000 0.344 68 Y C 0.172 176.083 175.900 0.018 0.000 0.995 68 Y CA -0.706 57.379 58.100 -0.026 0.000 1.201 68 Y CB 0.546 38.789 38.460 -0.362 0.000 1.151 68 Y HN -0.105 nan 8.280 nan 0.000 0.517 69 I N 6.532 127.200 120.570 0.163 0.000 2.291 69 I HA 0.207 4.378 4.170 0.001 0.000 0.290 69 I C -0.212 176.008 176.117 0.172 0.000 1.050 69 I CA -0.605 60.806 61.300 0.186 0.000 1.245 69 I CB 0.180 38.191 38.000 0.018 0.000 1.405 69 I HN 0.508 nan 8.210 nan 0.000 0.478 70 I N 6.954 127.585 120.570 0.101 0.000 2.307 70 I HA 0.215 4.385 4.170 0.001 0.000 0.289 70 I C -0.066 176.053 176.117 0.002 0.000 1.021 70 I CA -0.747 60.529 61.300 -0.041 0.000 1.224 70 I CB 1.486 39.397 38.000 -0.148 0.000 1.376 70 I HN 0.327 nan 8.210 nan 0.000 0.470 71 L N 6.628 127.863 121.223 0.019 0.000 2.319 71 L HA 0.338 4.678 4.340 0.001 0.000 0.280 71 L C -0.128 176.777 176.870 0.058 0.000 1.099 71 L CA 0.611 55.497 54.840 0.077 0.000 0.828 71 L CB 0.808 42.919 42.059 0.087 0.000 1.150 71 L HN 0.573 nan 8.230 nan 0.000 0.442 72 D N 1.966 122.421 120.400 0.091 0.000 2.358 72 D HA 0.142 4.783 4.640 0.001 0.000 0.287 72 D C -0.490 175.777 176.300 -0.055 0.000 1.181 72 D CA -0.205 53.773 54.000 -0.036 0.000 1.103 72 D CB 0.502 41.271 40.800 -0.051 0.000 1.168 72 D HN 0.705 nan 8.370 nan 0.000 0.552 73 D N -1.379 118.757 120.400 -0.442 0.000 2.398 73 D HA 0.134 4.775 4.640 0.001 0.000 0.247 73 D C -0.175 176.116 176.300 -0.015 0.000 1.227 73 D CA -0.159 53.642 54.000 -0.332 0.000 0.980 73 D CB 0.551 40.992 40.800 -0.599 0.000 1.106 73 D HN 0.613 nan 8.370 nan 0.000 0.493 74 c N 1.036 119.401 118.600 -0.392 0.000 4.533 74 c HA -0.102 4.468 4.570 0.001 0.000 0.304 74 c C 1.341 175.269 174.090 -0.271 0.000 1.316 74 c CA 0.019 55.834 56.329 -0.856 0.000 2.053 74 c CB -2.671 39.720 42.510 -0.198 0.000 1.242 74 c HN 0.723 nan 8.230 nan 0.000 0.758 75 W N 0.514 121.711 121.300 -0.172 0.000 2.873 75 W HA 0.343 5.003 4.660 0.001 0.000 0.282 75 W C 0.607 177.264 176.519 0.229 0.000 1.118 75 W CA 0.623 58.095 57.345 0.211 0.000 1.480 75 W CB -1.204 28.371 29.460 0.192 0.000 0.954 75 W HN 0.610 nan 8.180 nan 0.000 0.591 76 S N 1.388 116.659 115.700 -0.715 0.000 2.672 76 S HA 0.398 4.868 4.470 0.001 0.000 0.276 76 S C 0.884 175.468 174.600 -0.027 0.000 1.207 76 S CA 0.237 58.098 58.200 -0.565 0.000 1.002 76 S CB 1.886 64.420 63.200 -1.110 0.000 0.998 76 S HN 0.159 nan 8.310 nan 0.000 0.542 77 S N -0.217 115.503 115.700 0.033 0.000 2.524 77 S HA 0.607 5.078 4.470 0.001 0.000 0.222 77 S C 0.911 175.541 174.600 0.051 0.000 1.040 77 S CA 0.182 58.446 58.200 0.106 0.000 0.915 77 S CB -0.168 63.099 63.200 0.113 0.000 0.831 77 S HN 1.639 nan 8.310 nan 0.000 0.492 78 G N 0.614 109.412 108.800 -0.003 0.000 2.367 78 G HA2 0.410 4.370 3.960 0.001 0.000 0.272 78 G HA3 0.410 4.370 3.960 0.001 0.000 0.272 78 G C -1.942 172.930 174.900 -0.047 0.000 1.271 78 G CA -1.132 43.958 45.100 -0.017 0.000 0.893 78 G HN 0.249 nan 8.290 nan 0.000 0.485 79 R N 0.536 121.020 120.500 -0.026 0.000 2.637 79 R HA 0.513 4.853 4.340 0.001 0.000 0.291 79 R C -0.691 175.618 176.300 0.015 0.000 0.963 79 R CA -0.608 55.477 56.100 -0.026 0.000 0.901 79 R CB 1.841 32.120 30.300 -0.036 0.000 1.160 79 R HN 0.804 nan 8.270 nan 0.000 0.457 80 D N 0.196 120.622 120.400 0.044 0.000 2.447 80 D HA -0.010 4.631 4.640 0.001 0.000 0.265 80 D C 0.933 177.272 176.300 0.065 0.000 1.250 80 D CA -0.439 53.599 54.000 0.063 0.000 1.046 80 D CB 0.448 41.298 40.800 0.085 0.000 1.095 80 D HN 0.377 nan 8.370 nan 0.000 0.555 81 S N -1.024 114.711 115.700 0.059 0.000 2.402 81 S HA -0.229 4.242 4.470 0.001 0.000 0.233 81 S C 1.043 175.685 174.600 0.070 0.000 1.030 81 S CA 1.256 59.487 58.200 0.052 0.000 1.003 81 S CB -0.463 62.761 63.200 0.040 0.000 0.813 81 S HN 0.503 nan 8.310 nan 0.000 0.477 82 D N 1.008 121.473 120.400 0.108 0.000 2.340 82 D HA 0.317 4.957 4.640 0.001 0.000 0.220 82 D C 1.559 178.000 176.300 0.235 0.000 1.039 82 D CA 0.788 54.890 54.000 0.170 0.000 0.866 82 D CB -0.019 40.886 40.800 0.176 0.000 0.913 82 D HN 0.579 nan 8.370 nan 0.000 0.523 83 G N 0.003 108.890 108.800 0.145 0.000 2.253 83 G HA2 -0.307 3.654 3.960 0.001 0.000 0.251 83 G HA3 -0.307 3.654 3.960 0.001 0.000 0.251 83 G C 0.387 175.298 174.900 0.018 0.000 0.998 83 G CA -0.182 44.952 45.100 0.057 0.000 0.621 83 G HN 0.275 nan 8.290 nan 0.000 0.524 84 F N 1.069 120.999 119.950 -0.033 0.000 2.545 84 F HA 0.518 5.045 4.527 0.001 0.000 0.348 84 F C 1.482 177.187 175.800 -0.158 0.000 1.163 84 F CA -0.215 57.748 58.000 -0.061 0.000 1.331 84 F CB 0.385 39.404 39.000 0.032 0.000 1.138 84 F HN 0.085 nan 8.300 nan 0.000 0.602 85 L N 2.176 123.257 121.223 -0.236 0.000 2.439 85 L HA 0.315 4.656 4.340 0.001 0.000 0.269 85 L C -0.482 176.203 176.870 -0.309 0.000 1.179 85 L CA -0.291 54.276 54.840 -0.456 0.000 0.828 85 L CB 0.513 42.044 42.059 -0.880 0.000 1.106 85 L HN 0.216 nan 8.230 nan 0.000 0.467 86 V N 2.198 122.028 119.914 -0.140 0.000 2.531 86 V HA 0.520 4.641 4.120 0.001 0.000 0.301 86 V C 0.170 176.348 176.094 0.141 0.000 1.034 86 V CA -0.803 61.540 62.300 0.071 0.000 0.865 86 V CB 1.662 33.534 31.823 0.081 0.000 0.995 86 V HN 0.865 nan 8.190 nan 0.000 0.424 87 A N 3.000 126.058 122.820 0.396 0.000 2.401 87 A HA 0.331 4.652 4.320 0.001 0.000 0.259 87 A C 0.310 178.135 177.584 0.403 0.000 1.103 87 A CA -0.204 52.160 52.037 0.546 0.000 0.789 87 A CB 0.166 19.563 19.000 0.661 0.000 1.035 87 A HN 0.858 nan 8.150 nan 0.000 0.491 88 D N 2.469 123.122 120.400 0.422 0.000 2.356 88 D HA -0.050 4.590 4.640 0.001 0.000 0.272 88 D C 1.399 177.890 176.300 0.319 0.000 1.337 88 D CA 0.309 54.501 54.000 0.319 0.000 0.970 88 D CB 0.470 41.446 40.800 0.293 0.000 1.092 88 D HN 0.698 nan 8.370 nan 0.000 0.516 89 E N 2.756 123.092 120.200 0.228 0.000 2.265 89 E HA -0.230 4.121 4.350 0.001 0.000 0.196 89 E C 0.964 177.628 176.600 0.108 0.000 0.996 89 E CA 0.516 57.026 56.400 0.184 0.000 0.832 89 E CB 0.038 29.821 29.700 0.139 0.000 0.756 89 E HN 0.435 nan 8.360 nan 0.000 0.491 90 Q N 1.303 121.152 119.800 0.081 0.000 2.084 90 Q HA -0.073 4.268 4.340 0.001 0.000 0.202 90 Q C 1.857 177.829 176.000 -0.048 0.000 0.978 90 Q CA 1.489 57.307 55.803 0.025 0.000 0.844 90 Q CB -0.108 28.649 28.738 0.032 0.000 0.898 90 Q HN 0.409 nan 8.270 nan 0.000 0.426 91 K N -0.960 119.383 120.400 -0.094 0.000 2.137 91 K HA 0.050 4.370 4.320 0.001 0.000 0.202 91 K C 0.056 176.228 176.600 -0.714 0.000 1.052 91 K CA 0.454 56.481 56.287 -0.433 0.000 0.961 91 K CB 0.360 32.556 32.500 -0.506 0.000 0.741 91 K HN 0.017 nan 8.250 nan 0.000 0.452 92 F N 0.994 121.024 119.950 0.132 0.000 2.686 92 F HA 0.240 4.768 4.527 0.001 0.000 0.365 92 F C -2.087 173.768 175.800 0.092 0.000 1.196 92 F CA -2.010 56.066 58.000 0.127 0.000 1.198 92 F CB 1.681 40.804 39.000 0.205 0.000 1.454 92 F HN -0.124 nan 8.300 nan 0.000 0.539 93 P HA 0.024 nan 4.420 nan 0.000 0.241 93 P C 0.454 177.769 177.300 0.024 0.000 1.191 93 P CA 0.857 63.999 63.100 0.071 0.000 0.771 93 P CB 0.452 32.162 31.700 0.017 0.000 0.929 94 N N -0.434 118.258 118.700 -0.013 0.000 2.205 94 N HA 0.192 4.932 4.740 0.001 0.000 0.201 94 N C 1.017 176.543 175.510 0.026 0.000 1.128 94 N CA 0.869 53.832 53.050 -0.145 0.000 0.867 94 N CB 0.886 38.935 38.487 -0.730 0.000 0.996 94 N HN 0.127 nan 8.380 nan 0.000 0.503 95 G N 0.955 109.843 108.800 0.146 0.000 2.757 95 G HA2 -0.234 3.727 3.960 0.001 0.000 0.638 95 G HA3 -0.234 3.727 3.960 0.001 0.000 0.638 95 G C 0.651 175.653 174.900 0.169 0.000 1.344 95 G CA -0.251 44.963 45.100 0.190 0.000 0.855 95 G HN -0.076 nan 8.290 nan 0.000 0.537 96 M N 0.594 120.264 119.600 0.117 0.000 2.216 96 M HA 0.111 4.591 4.480 0.001 0.000 0.264 96 M C 2.897 179.186 176.300 -0.019 0.000 1.080 96 M CA 2.337 57.653 55.300 0.025 0.000 1.153 96 M CB -1.809 30.818 32.600 0.046 0.000 1.356 96 M HN 1.150 nan 8.290 nan 0.000 0.432 97 G N -0.922 107.888 108.800 0.018 0.000 2.485 97 G HA2 -0.300 3.661 3.960 0.001 0.000 0.221 97 G HA3 -0.300 3.661 3.960 0.001 0.000 0.221 97 G C 1.477 176.391 174.900 0.024 0.000 1.115 97 G CA 1.626 46.738 45.100 0.020 0.000 0.751 97 G HN 0.575 nan 8.290 nan 0.000 0.567 98 H N -0.293 118.761 119.070 -0.026 0.000 2.389 98 H HA 0.011 4.567 4.556 0.001 0.000 0.299 98 H C 2.510 177.820 175.328 -0.029 0.000 1.081 98 H CA 1.527 57.574 56.048 -0.002 0.000 1.345 98 H CB 0.106 29.895 29.762 0.045 0.000 1.393 98 H HN 0.147 nan 8.280 nan 0.000 0.520 99 V N 0.662 120.571 119.914 -0.008 0.000 2.358 99 V HA -0.202 3.919 4.120 0.001 0.000 0.246 99 V C 2.734 178.545 176.094 -0.472 0.000 1.047 99 V CA 1.389 63.559 62.300 -0.217 0.000 1.035 99 V CB -1.186 30.430 31.823 -0.344 0.000 0.658 99 V HN 0.675 nan 8.190 nan 0.000 0.452 100 A N 0.399 122.861 122.820 -0.597 0.000 1.892 100 A HA -0.291 4.029 4.320 0.001 0.000 0.218 100 A C 2.003 179.551 177.584 -0.060 0.000 1.188 100 A CA 2.265 54.051 52.037 -0.418 0.000 0.631 100 A CB -0.740 18.275 19.000 0.024 0.000 0.822 100 A HN 0.541 nan 8.150 nan 0.000 0.447 101 D N -1.117 119.299 120.400 0.026 0.000 2.092 101 D HA -0.164 4.477 4.640 0.001 0.000 0.193 101 D C 1.832 178.118 176.300 -0.024 0.000 0.994 101 D CA 1.440 55.470 54.000 0.049 0.000 0.828 101 D CB -0.667 40.075 40.800 -0.096 0.000 0.963 101 D HN 0.547 nan 8.370 nan 0.000 0.450 102 H N 0.430 119.406 119.070 -0.156 0.000 2.353 102 H HA -0.069 4.487 4.556 0.001 0.000 0.298 102 H C 2.405 177.701 175.328 -0.054 0.000 1.103 102 H CA 0.886 56.863 56.048 -0.119 0.000 1.293 102 H CB -0.260 29.416 29.762 -0.143 0.000 1.372 102 H HN 0.161 nan 8.280 nan 0.000 0.501 103 L N -0.731 120.507 121.223 0.024 0.000 2.027 103 L HA -0.179 4.162 4.340 0.001 0.000 0.206 103 L C 2.542 179.440 176.870 0.046 0.000 1.074 103 L CA 1.235 56.091 54.840 0.026 0.000 0.745 103 L CB -0.571 41.405 42.059 -0.138 0.000 0.898 103 L HN 0.309 nan 8.230 nan 0.000 0.433 104 H N -0.442 118.677 119.070 0.081 0.000 2.353 104 H HA -0.163 4.393 4.556 0.001 0.000 0.298 104 H C 2.123 177.463 175.328 0.022 0.000 1.103 104 H CA 1.707 57.784 56.048 0.049 0.000 1.293 104 H CB -0.113 29.661 29.762 0.020 0.000 1.372 104 H HN 0.274 nan 8.280 nan 0.000 0.501 105 N N 0.291 119.063 118.700 0.119 0.000 2.205 105 N HA -0.140 4.600 4.740 0.001 0.000 0.186 105 N C 1.143 176.680 175.510 0.044 0.000 1.015 105 N CA 0.978 54.056 53.050 0.046 0.000 0.862 105 N CB -0.192 38.284 38.487 -0.017 0.000 0.986 105 N HN 0.296 nan 8.380 nan 0.000 0.429 106 N N 0.112 118.862 118.700 0.083 0.000 2.276 106 N HA 0.077 4.817 4.740 0.001 0.000 0.212 106 N C -0.641 174.802 175.510 -0.111 0.000 1.127 106 N CA -0.035 53.042 53.050 0.044 0.000 0.834 106 N CB -0.006 38.589 38.487 0.181 0.000 1.014 106 N HN -0.137 nan 8.380 nan 0.000 0.491 107 S N -0.943 114.717 115.700 -0.067 0.000 3.586 107 S HA -0.204 4.266 4.470 0.001 0.000 0.309 107 S C 0.037 174.500 174.600 -0.229 0.000 1.195 107 S CA 0.449 58.570 58.200 -0.132 0.000 0.895 107 S CB -2.107 60.988 63.200 -0.174 0.000 0.983 107 S HN 0.406 nan 8.310 nan 0.000 0.563 108 F N 0.315 120.229 119.950 -0.059 0.000 2.380 108 F HA 0.674 5.201 4.527 0.001 0.000 0.319 108 F C 0.817 176.520 175.800 -0.161 0.000 1.113 108 F CA -0.802 57.137 58.000 -0.101 0.000 1.056 108 F CB 0.635 39.588 39.000 -0.080 0.000 1.289 108 F HN 0.030 nan 8.300 nan 0.000 0.515 109 L N 1.328 122.582 121.223 0.051 0.000 2.342 109 L HA 0.399 4.740 4.340 0.001 0.000 0.271 109 L C -1.266 175.664 176.870 0.100 0.000 1.008 109 L CA -0.865 53.936 54.840 -0.065 0.000 0.818 109 L CB 1.922 43.756 42.059 -0.376 0.000 1.296 109 L HN 0.392 nan 8.230 nan 0.000 0.427 110 F N 1.109 121.042 119.950 -0.029 0.000 2.427 110 F HA 0.747 5.274 4.527 0.001 0.000 0.346 110 F C 0.230 176.115 175.800 0.142 0.000 1.120 110 F CA -0.999 57.008 58.000 0.010 0.000 1.033 110 F CB 1.553 40.513 39.000 -0.068 0.000 1.126 110 F HN 0.300 nan 8.300 nan 0.000 0.462 111 G N 7.019 115.594 108.800 -0.375 0.000 2.513 111 G HA2 0.610 4.571 3.960 0.001 0.000 0.317 111 G HA3 0.610 4.571 3.960 0.001 0.000 0.317 111 G C -1.273 173.274 174.900 -0.589 0.000 1.277 111 G CA -0.794 44.128 45.100 -0.295 0.000 0.955 111 G HN 0.630 nan 8.290 nan 0.000 0.484 112 M N 0.657 119.967 119.600 -0.483 0.000 2.796 112 M HA 0.472 4.953 4.480 0.001 0.000 0.303 112 M C -1.416 174.777 176.300 -0.180 0.000 1.240 112 M CA -0.997 54.024 55.300 -0.466 0.000 0.831 112 M CB 2.908 35.134 32.600 -0.624 0.000 1.750 112 M HN 0.601 nan 8.290 nan 0.000 0.484 113 Y N -0.287 119.928 120.300 -0.142 0.000 2.485 113 Y HA 0.684 5.235 4.550 0.001 0.000 0.345 113 Y C -0.682 175.441 175.900 0.371 0.000 0.998 113 Y CA -0.176 57.993 58.100 0.116 0.000 1.059 113 Y CB 1.874 40.440 38.460 0.177 0.000 1.234 113 Y HN 0.707 nan 8.280 nan 0.000 0.461 114 S N 2.373 117.857 115.700 -0.360 0.000 2.672 114 S HA 0.652 5.123 4.470 0.001 0.000 0.271 114 S C -1.850 172.487 174.600 -0.437 0.000 1.171 114 S CA -0.614 57.533 58.200 -0.088 0.000 0.817 114 S CB 1.313 64.781 63.200 0.446 0.000 1.150 114 S HN 0.776 nan 8.310 nan 0.000 0.478 115 S N 0.449 116.030 115.700 -0.198 0.000 2.538 115 S HA 0.691 5.162 4.470 0.001 0.000 0.288 115 S C -0.363 173.913 174.600 -0.539 0.000 1.108 115 S CA -0.035 57.928 58.200 -0.394 0.000 0.971 115 S CB 1.379 64.507 63.200 -0.121 0.000 1.041 115 S HN 1.275 nan 8.310 nan 0.000 0.483 116 A N 3.403 125.632 122.820 -0.986 0.000 3.029 116 A HA 0.600 4.921 4.320 0.001 0.000 0.251 116 A C 0.777 178.136 177.584 -0.374 0.000 1.749 116 A CA 0.319 51.872 52.037 -0.806 0.000 1.386 116 A CB -1.381 16.895 19.000 -1.206 0.000 1.043 116 A HN 1.176 nan 8.150 nan 0.000 0.638 117 G N -1.280 107.399 108.800 -0.202 0.000 2.606 117 G HA2 0.383 4.344 3.960 0.001 0.000 0.300 117 G HA3 0.383 4.344 3.960 0.001 0.000 0.300 117 G C 0.275 175.125 174.900 -0.082 0.000 1.360 117 G CA 0.108 45.157 45.100 -0.084 0.000 0.783 117 G HN 0.200 nan 8.290 nan 0.000 0.484 118 E N -1.485 118.643 120.200 -0.119 0.000 2.077 118 E HA 0.005 4.355 4.350 0.001 0.000 0.193 118 E C -0.271 175.972 176.600 -0.596 0.000 0.989 118 E CA 1.118 57.271 56.400 -0.412 0.000 0.800 118 E CB 0.006 29.370 29.700 -0.561 0.000 0.746 118 E HN 0.452 nan 8.360 nan 0.000 0.452 119 Y N -0.844 119.479 120.300 0.039 0.000 2.633 119 Y HA 0.246 4.797 4.550 0.001 0.000 0.339 119 Y C 0.460 176.492 175.900 0.220 0.000 1.045 119 Y CA -1.097 57.022 58.100 0.032 0.000 1.098 119 Y CB 1.515 39.845 38.460 -0.216 0.000 1.296 119 Y HN -0.171 nan 8.280 nan 0.000 0.494 120 T N -3.236 111.573 114.554 0.426 0.000 2.816 120 T HA 0.094 4.445 4.350 0.001 0.000 0.282 120 T C 0.882 175.890 174.700 0.513 0.000 0.993 120 T CA -0.659 61.712 62.100 0.451 0.000 0.994 120 T CB 0.684 69.881 68.868 0.547 0.000 1.025 120 T HN 0.848 nan 8.240 nan 0.000 0.529 121 c N 0.675 119.534 118.600 0.432 0.000 2.409 121 c HA 0.175 4.745 4.570 0.001 0.000 0.288 121 c C 2.830 177.120 174.090 0.334 0.000 1.395 121 c CA 0.638 57.168 56.329 0.336 0.000 1.792 121 c CB -2.092 40.529 42.510 0.185 0.000 1.847 121 c HN 0.978 nan 8.230 nan 0.000 0.534 122 A N -0.831 122.203 122.820 0.355 0.000 2.348 122 A HA 0.497 4.818 4.320 0.001 0.000 0.224 122 A C 1.633 179.400 177.584 0.305 0.000 1.227 122 A CA 1.019 53.289 52.037 0.389 0.000 0.885 122 A CB -0.323 18.971 19.000 0.490 0.000 0.933 122 A HN 1.121 nan 8.150 nan 0.000 0.506 123 G N -2.009 106.937 108.800 0.243 0.000 2.148 123 G HA2 -0.222 3.739 3.960 0.001 0.000 0.203 123 G HA3 -0.222 3.739 3.960 0.001 0.000 0.203 123 G C -0.137 174.655 174.900 -0.180 0.000 0.993 123 G CA 0.067 45.100 45.100 -0.112 0.000 0.661 123 G HN 0.355 nan 8.290 nan 0.000 0.518 124 Y N 0.165 120.512 120.300 0.078 0.000 2.392 124 Y HA 0.566 5.117 4.550 0.001 0.000 0.323 124 Y C -1.764 174.204 175.900 0.114 0.000 1.291 124 Y CA -2.534 55.592 58.100 0.042 0.000 1.345 124 Y CB 0.482 38.915 38.460 -0.046 0.000 1.320 124 Y HN -0.078 nan 8.280 nan 0.000 0.518 125 P HA 0.026 nan 4.420 nan 0.000 0.263 125 P C -0.168 177.182 177.300 0.084 0.000 1.175 125 P CA 0.395 63.546 63.100 0.086 0.000 0.761 125 P CB 0.367 32.053 31.700 -0.023 0.000 0.794 126 G N 0.883 109.695 108.800 0.021 0.000 2.537 126 G HA2 0.379 4.339 3.960 0.001 0.000 0.323 126 G HA3 0.379 4.339 3.960 0.001 0.000 0.323 126 G C 0.322 175.227 174.900 0.009 0.000 1.207 126 G CA -0.497 44.624 45.100 0.035 0.000 0.976 126 G HN 0.313 nan 8.290 nan 0.000 0.487 127 S N -0.538 115.205 115.700 0.072 0.000 2.540 127 S HA 0.082 4.553 4.470 0.001 0.000 0.218 127 S C 0.573 175.204 174.600 0.051 0.000 0.977 127 S CA -0.407 57.858 58.200 0.109 0.000 0.918 127 S CB -0.057 63.330 63.200 0.312 0.000 0.806 127 S HN 0.371 nan 8.310 nan 0.000 0.496 128 L N 2.716 123.929 121.223 -0.016 0.000 2.477 128 L HA 0.447 4.787 4.340 0.001 0.000 0.272 128 L C 1.207 178.042 176.870 -0.059 0.000 1.157 128 L CA 1.108 55.918 54.840 -0.049 0.000 0.889 128 L CB -0.488 41.517 42.059 -0.090 0.000 1.158 128 L HN 0.370 nan 8.230 nan 0.000 0.473 129 G N 4.339 113.108 108.800 -0.050 0.000 2.212 129 G HA2 -0.339 3.621 3.960 0.001 0.000 0.266 129 G HA3 -0.339 3.621 3.960 0.001 0.000 0.266 129 G C 0.839 175.702 174.900 -0.062 0.000 0.978 129 G CA 0.633 45.698 45.100 -0.057 0.000 0.632 129 G HN 0.634 nan 8.290 nan 0.000 0.537 130 R N -0.237 120.226 120.500 -0.061 0.000 2.816 130 R HA 0.404 4.745 4.340 0.001 0.000 0.382 130 R C 1.029 177.277 176.300 -0.086 0.000 1.140 130 R CA -0.082 55.965 56.100 -0.089 0.000 1.050 130 R CB 0.408 30.645 30.300 -0.105 0.000 1.396 130 R HN 0.303 nan 8.270 nan 0.000 0.583 131 E N 1.441 121.604 120.200 -0.062 0.000 2.046 131 E HA -0.137 4.214 4.350 0.001 0.000 0.190 131 E C 1.217 177.768 176.600 -0.082 0.000 0.982 131 E CA 1.221 57.589 56.400 -0.054 0.000 0.800 131 E CB 0.238 29.907 29.700 -0.052 0.000 0.756 131 E HN 0.338 nan 8.360 nan 0.000 0.449 132 E N 0.557 120.702 120.200 -0.090 0.000 2.058 132 E HA -0.228 4.122 4.350 0.001 0.000 0.194 132 E C 1.983 178.495 176.600 -0.146 0.000 0.997 132 E CA 1.401 57.750 56.400 -0.086 0.000 0.801 132 E CB -0.099 29.563 29.700 -0.063 0.000 0.746 132 E HN 0.231 nan 8.360 nan 0.000 0.450 133 E N 1.031 121.064 120.200 -0.278 0.000 2.058 133 E HA -0.205 4.146 4.350 0.001 0.000 0.194 133 E C 1.727 177.992 176.600 -0.558 0.000 0.997 133 E CA 1.631 57.634 56.400 -0.661 0.000 0.801 133 E CB -0.123 29.110 29.700 -0.779 0.000 0.746 133 E HN 0.217 nan 8.360 nan 0.000 0.450 134 D N 0.044 120.254 120.400 -0.316 0.000 2.123 134 D HA -0.051 4.589 4.640 0.001 0.000 0.200 134 D C 1.858 178.086 176.300 -0.119 0.000 0.976 134 D CA 1.438 55.289 54.000 -0.248 0.000 0.831 134 D CB -0.433 40.317 40.800 -0.083 0.000 0.974 134 D HN 0.214 nan 8.370 nan 0.000 0.469 135 A N 0.616 123.462 122.820 0.043 0.000 1.883 135 A HA -0.275 4.045 4.320 0.001 0.000 0.217 135 A C 2.165 179.841 177.584 0.153 0.000 1.186 135 A CA 1.963 54.099 52.037 0.164 0.000 0.624 135 A CB -0.772 18.246 19.000 0.030 0.000 0.822 135 A HN 0.145 nan 8.150 nan 0.000 0.444 136 Q N -1.067 118.787 119.800 0.090 0.000 2.084 136 Q HA -0.170 4.171 4.340 0.001 0.000 0.202 136 Q C 1.723 177.865 176.000 0.236 0.000 0.978 136 Q CA 2.133 58.037 55.803 0.169 0.000 0.844 136 Q CB -0.639 28.238 28.738 0.232 0.000 0.898 136 Q HN 0.657 nan 8.270 nan 0.000 0.426 137 F N -0.403 119.592 119.950 0.076 0.000 2.126 137 F HA -0.222 4.306 4.527 0.001 0.000 0.299 137 F C 1.300 177.090 175.800 -0.017 0.000 1.096 137 F CA 1.436 59.471 58.000 0.058 0.000 1.255 137 F CB -0.301 38.631 39.000 -0.113 0.000 0.997 137 F HN 0.123 nan 8.300 nan 0.000 0.479 138 F N 0.578 120.610 119.950 0.137 0.000 2.186 138 F HA 0.004 4.532 4.527 0.001 0.000 0.299 138 F C 2.593 178.372 175.800 -0.036 0.000 1.090 138 F CA 0.948 58.942 58.000 -0.011 0.000 1.307 138 F CB -1.616 37.427 39.000 0.072 0.000 1.019 138 F HN 0.081 nan 8.300 nan 0.000 0.489 139 A N 0.452 123.379 122.820 0.179 0.000 1.873 139 A HA -0.183 4.138 4.320 0.001 0.000 0.215 139 A C 2.157 179.774 177.584 0.055 0.000 1.186 139 A CA 1.809 53.914 52.037 0.113 0.000 0.616 139 A CB -0.860 18.199 19.000 0.100 0.000 0.823 139 A HN 0.310 nan 8.150 nan 0.000 0.442 140 N N 0.829 119.539 118.700 0.017 0.000 2.137 140 N HA -0.143 4.597 4.740 0.001 0.000 0.190 140 N C 0.527 175.994 175.510 -0.071 0.000 1.017 140 N CA 1.621 54.655 53.050 -0.026 0.000 0.859 140 N CB -0.621 37.850 38.487 -0.027 0.000 1.002 140 N HN 0.568 nan 8.380 nan 0.000 0.428 141 N N 0.578 119.189 118.700 -0.149 0.000 2.322 141 N HA 0.163 4.903 4.740 0.001 0.000 0.216 141 N C -0.656 174.909 175.510 0.091 0.000 1.144 141 N CA -0.077 52.917 53.050 -0.094 0.000 0.830 141 N CB 0.183 38.512 38.487 -0.263 0.000 1.034 141 N HN 0.082 nan 8.380 nan 0.000 0.484 142 R N -0.767 119.797 120.500 0.106 0.000 3.264 142 R HA -0.135 4.206 4.340 0.001 0.000 0.251 142 R C -1.008 175.502 176.300 0.351 0.000 0.971 142 R CA 0.113 56.323 56.100 0.184 0.000 0.658 142 R CB -2.267 28.114 30.300 0.135 0.000 1.095 142 R HN 0.011 nan 8.270 nan 0.000 0.443 143 V N 0.814 120.899 119.914 0.284 0.000 2.567 143 V HA 0.103 4.223 4.120 0.001 0.000 0.289 143 V C 1.142 177.375 176.094 0.232 0.000 1.049 143 V CA -0.057 62.395 62.300 0.254 0.000 0.969 143 V CB 1.728 33.609 31.823 0.097 0.000 0.995 143 V HN 0.297 nan 8.190 nan 0.000 0.471 144 D N 2.053 122.615 120.400 0.270 0.000 2.417 144 D HA 0.116 4.757 4.640 0.001 0.000 0.207 144 D C -0.456 176.107 176.300 0.437 0.000 1.075 144 D CA 0.682 54.894 54.000 0.353 0.000 0.851 144 D CB 0.985 42.031 40.800 0.410 0.000 0.976 144 D HN 0.515 nan 8.370 nan 0.000 0.505 145 Y N 0.865 121.245 120.300 0.134 0.000 2.442 145 Y HA 0.405 4.956 4.550 0.001 0.000 0.330 145 Y C -2.145 173.709 175.900 -0.076 0.000 1.100 145 Y CA -1.222 56.934 58.100 0.093 0.000 1.034 145 Y CB 1.432 39.919 38.460 0.045 0.000 1.285 145 Y HN -0.232 nan 8.280 nan 0.000 0.440 146 L N 6.836 127.925 121.223 -0.222 0.000 2.343 146 L HA 0.543 4.883 4.340 0.001 0.000 0.278 146 L C -1.133 175.635 176.870 -0.170 0.000 0.996 146 L CA -0.621 54.089 54.840 -0.216 0.000 0.831 146 L CB 1.338 43.242 42.059 -0.258 0.000 1.232 146 L HN 0.643 nan 8.230 nan 0.000 0.413 147 K N 4.314 124.706 120.400 -0.013 0.000 2.285 147 K HA 0.220 4.540 4.320 0.001 0.000 0.286 147 K C -1.765 174.874 176.600 0.065 0.000 1.072 147 K CA -0.412 55.922 56.287 0.079 0.000 0.913 147 K CB 0.493 33.151 32.500 0.263 0.000 1.067 147 K HN 0.615 nan 8.250 nan 0.000 0.479 148 Y N 3.882 124.123 120.300 -0.098 0.000 2.464 148 Y HA 0.382 4.932 4.550 0.001 0.000 0.326 148 Y C -0.249 175.621 175.900 -0.049 0.000 0.969 148 Y CA -1.010 57.053 58.100 -0.062 0.000 1.270 148 Y CB 0.690 39.263 38.460 0.188 0.000 1.103 148 Y HN 0.744 nan 8.280 nan 0.000 0.491 149 A N 3.457 126.068 122.820 -0.348 0.000 2.251 149 A HA 0.287 4.608 4.320 0.001 0.000 0.278 149 A C 0.473 177.835 177.584 -0.371 0.000 1.206 149 A CA -0.088 51.771 52.037 -0.297 0.000 0.822 149 A CB 0.345 19.265 19.000 -0.134 0.000 1.187 149 A HN 0.738 nan 8.150 nan 0.000 0.504 150 N N -2.206 116.234 118.700 -0.434 0.000 2.241 150 N HA 0.147 4.888 4.740 0.001 0.000 0.238 150 N C -1.056 174.299 175.510 -0.258 0.000 1.244 150 N CA -0.204 52.548 53.050 -0.497 0.000 0.880 150 N CB 0.051 37.894 38.487 -1.073 0.000 1.179 150 N HN 0.526 nan 8.380 nan 0.000 0.513 151 c N 0.770 119.331 118.600 -0.066 0.000 2.539 151 c HA 0.265 4.836 4.570 0.001 0.000 0.392 151 c C 0.134 174.229 174.090 0.008 0.000 1.269 151 c CA -0.021 56.287 56.329 -0.035 0.000 2.250 151 c CB -1.460 41.079 42.510 0.048 0.000 2.584 151 c HN 0.658 nan 8.230 nan 0.000 0.589 152 Y N 1.252 121.597 120.300 0.075 0.000 3.078 152 Y HA -0.245 4.306 4.550 0.001 0.000 0.202 152 Y C 1.098 176.998 175.900 0.000 0.000 1.322 152 Y CA 0.689 58.830 58.100 0.068 0.000 1.118 152 Y CB -1.881 36.671 38.460 0.154 0.000 1.343 152 Y HN 0.910 nan 8.280 nan 0.000 0.499 153 N N 0.416 119.150 118.700 0.057 0.000 2.370 153 N HA 0.046 4.787 4.740 0.001 0.000 0.198 153 N C 0.159 175.713 175.510 0.073 0.000 1.156 153 N CA 0.477 53.537 53.050 0.017 0.000 0.839 153 N CB 0.081 38.550 38.487 -0.030 0.000 0.989 153 N HN 0.482 nan 8.380 nan 0.000 0.468 154 K N -0.872 119.592 120.400 0.107 0.000 3.071 154 K HA -0.179 4.141 4.320 0.001 0.000 0.265 154 K C 0.735 177.400 176.600 0.109 0.000 1.060 154 K CA 0.373 56.715 56.287 0.092 0.000 0.767 154 K CB -2.016 30.503 32.500 0.031 0.000 1.241 154 K HN 0.557 nan 8.250 nan 0.000 0.486 155 G N 0.385 109.313 108.800 0.214 0.000 2.153 155 G HA2 -0.362 3.599 3.960 0.001 0.000 0.252 155 G HA3 -0.362 3.599 3.960 0.001 0.000 0.252 155 G C 0.040 174.998 174.900 0.097 0.000 0.994 155 G CA 0.629 45.844 45.100 0.191 0.000 0.698 155 G HN 0.533 nan 8.290 nan 0.000 0.521 156 Q N -0.383 119.531 119.800 0.191 0.000 3.122 156 Q HA 0.530 4.871 4.340 0.001 0.000 0.360 156 Q C 0.179 176.306 176.000 0.211 0.000 1.300 156 Q CA -0.035 55.828 55.803 0.100 0.000 0.982 156 Q CB -0.199 28.558 28.738 0.031 0.000 1.534 156 Q HN 0.824 nan 8.270 nan 0.000 0.474 157 F N -4.110 115.835 119.950 -0.009 0.000 2.831 157 F HA 0.781 5.308 4.527 0.001 0.000 0.318 157 F C 0.626 176.433 175.800 0.011 0.000 1.174 157 F CA -0.323 57.685 58.000 0.013 0.000 0.918 157 F CB 0.560 39.588 39.000 0.046 0.000 1.364 157 F HN 0.033 nan 8.300 nan 0.000 0.475 158 G N 0.195 108.969 108.800 -0.044 0.000 2.428 158 G HA2 0.152 4.113 3.960 0.001 0.000 0.199 158 G HA3 0.152 4.113 3.960 0.001 0.000 0.199 158 G C -0.035 174.841 174.900 -0.040 0.000 1.005 158 G CA 0.119 45.118 45.100 -0.168 0.000 0.671 158 G HN 1.583 nan 8.290 nan 0.000 0.485 159 T N -2.116 112.418 114.554 -0.034 0.000 2.906 159 T HA 0.720 5.070 4.350 0.001 0.000 0.295 159 T C -1.824 172.848 174.700 -0.046 0.000 1.075 159 T CA -0.937 61.146 62.100 -0.029 0.000 1.005 159 T CB 3.131 71.962 68.868 -0.061 0.000 1.136 159 T HN -0.114 nan 8.240 nan 0.000 0.498 160 P HA -0.113 nan 4.420 nan 0.000 0.215 160 P C 1.456 178.489 177.300 -0.445 0.000 1.157 160 P CA 1.096 64.065 63.100 -0.219 0.000 0.874 160 P CB 0.163 31.778 31.700 -0.141 0.000 0.790 161 E N -0.472 119.561 120.200 -0.277 0.000 2.038 161 E HA -0.213 4.138 4.350 0.001 0.000 0.195 161 E C 2.004 178.534 176.600 -0.117 0.000 1.000 161 E CA 1.109 57.376 56.400 -0.221 0.000 0.803 161 E CB -0.586 29.062 29.700 -0.087 0.000 0.750 161 E HN 0.128 nan 8.360 nan 0.000 0.448 162 I N 0.298 120.826 120.570 -0.071 0.000 2.226 162 I HA -0.243 3.928 4.170 0.001 0.000 0.245 162 I C 2.204 178.284 176.117 -0.061 0.000 1.100 162 I CA 1.168 62.457 61.300 -0.018 0.000 1.374 162 I CB -0.011 37.970 38.000 -0.031 0.000 1.057 162 I HN 0.059 nan 8.210 nan 0.000 0.413 163 S N -0.103 115.518 115.700 -0.132 0.000 2.383 163 S HA -0.223 4.248 4.470 0.001 0.000 0.227 163 S C 1.784 176.157 174.600 -0.379 0.000 1.026 163 S CA 1.342 59.474 58.200 -0.114 0.000 0.981 163 S CB -0.477 62.726 63.200 0.006 0.000 0.818 163 S HN 0.649 nan 8.310 nan 0.000 0.472 164 Y N 2.172 121.872 120.300 -1.001 0.000 2.145 164 Y HA -0.224 4.327 4.550 0.001 0.000 0.286 164 Y C 2.398 178.035 175.900 -0.439 0.000 1.145 164 Y CA 1.932 59.388 58.100 -1.074 0.000 1.148 164 Y CB -0.519 37.258 38.460 -1.138 0.000 0.981 164 Y HN 0.350 nan 8.280 nan 0.000 0.507 165 H N -0.066 118.825 119.070 -0.299 0.000 2.389 165 H HA -0.080 4.477 4.556 0.001 0.000 0.299 165 H C 2.389 177.589 175.328 -0.213 0.000 1.081 165 H CA 1.647 57.532 56.048 -0.271 0.000 1.345 165 H CB -0.263 29.430 29.762 -0.115 0.000 1.393 165 H HN 0.363 nan 8.280 nan 0.000 0.520 166 R N 0.143 120.601 120.500 -0.070 0.000 2.096 166 R HA -0.161 4.179 4.340 0.001 0.000 0.235 166 R C 1.549 177.739 176.300 -0.184 0.000 1.127 166 R CA 1.422 57.432 56.100 -0.150 0.000 0.968 166 R CB -0.134 30.028 30.300 -0.229 0.000 0.861 166 R HN 0.259 nan 8.270 nan 0.000 0.440 167 Y N -0.243 120.057 120.300 -0.000 0.000 2.490 167 Y HA 0.060 4.610 4.550 0.001 0.000 0.285 167 Y C 2.196 178.159 175.900 0.105 0.000 1.117 167 Y CA 0.787 58.987 58.100 0.167 0.000 1.262 167 Y CB 0.187 38.778 38.460 0.218 0.000 1.043 167 Y HN 0.014 nan 8.280 nan 0.000 0.553 168 K N 0.603 120.972 120.400 -0.051 0.000 2.148 168 K HA -0.129 4.192 4.320 0.001 0.000 0.204 168 K C 2.238 178.797 176.600 -0.068 0.000 1.050 168 K CA 0.882 57.072 56.287 -0.162 0.000 0.942 168 K CB -0.162 32.044 32.500 -0.490 0.000 0.724 168 K HN 0.248 nan 8.250 nan 0.000 0.446 169 A N 1.329 124.121 122.820 -0.046 0.000 1.873 169 A HA -0.254 4.067 4.320 0.001 0.000 0.218 169 A C 2.091 179.630 177.584 -0.075 0.000 1.193 169 A CA 2.093 54.104 52.037 -0.045 0.000 0.629 169 A CB -0.592 18.388 19.000 -0.034 0.000 0.826 169 A HN 0.456 nan 8.150 nan 0.000 0.447 170 M N -0.338 119.211 119.600 -0.085 0.000 2.254 170 M HA -0.011 4.470 4.480 0.001 0.000 0.265 170 M C 2.203 178.231 176.300 -0.454 0.000 1.066 170 M CA 1.923 57.051 55.300 -0.286 0.000 1.123 170 M CB -0.690 31.582 32.600 -0.548 0.000 1.388 170 M HN 0.392 nan 8.290 nan 0.000 0.425 171 S N 0.115 115.592 115.700 -0.371 0.000 2.359 171 S HA -0.175 4.296 4.470 0.001 0.000 0.224 171 S C 1.579 176.086 174.600 -0.155 0.000 1.035 171 S CA 1.962 59.948 58.200 -0.357 0.000 1.018 171 S CB -0.477 62.722 63.200 -0.002 0.000 0.876 171 S HN 0.571 nan 8.310 nan 0.000 0.448 172 D N 1.266 121.612 120.400 -0.090 0.000 2.117 172 D HA 0.035 4.676 4.640 0.001 0.000 0.197 172 D C 2.219 178.478 176.300 -0.067 0.000 0.987 172 D CA 1.276 55.248 54.000 -0.047 0.000 0.829 172 D CB -0.691 40.090 40.800 -0.032 0.000 0.961 172 D HN 0.476 nan 8.370 nan 0.000 0.460 173 A N 0.535 123.293 122.820 -0.104 0.000 1.902 173 A HA -0.122 4.199 4.320 0.001 0.000 0.217 173 A C 2.352 179.887 177.584 -0.082 0.000 1.181 173 A CA 0.939 52.923 52.037 -0.088 0.000 0.623 173 A CB -0.760 18.178 19.000 -0.104 0.000 0.818 173 A HN 0.211 nan 8.150 nan 0.000 0.443 174 L N -0.216 120.923 121.223 -0.140 0.000 2.056 174 L HA -0.187 4.154 4.340 0.001 0.000 0.207 174 L C 2.601 179.437 176.870 -0.057 0.000 1.078 174 L CA 1.451 56.226 54.840 -0.108 0.000 0.749 174 L CB -0.605 41.328 42.059 -0.211 0.000 0.901 174 L HN 0.573 nan 8.230 nan 0.000 0.433 175 N N 0.678 119.345 118.700 -0.055 0.000 2.166 175 N HA -0.248 4.492 4.740 0.001 0.000 0.186 175 N C 1.916 177.417 175.510 -0.014 0.000 1.019 175 N CA 1.290 54.324 53.050 -0.027 0.000 0.856 175 N CB 0.082 38.565 38.487 -0.007 0.000 0.993 175 N HN 0.291 nan 8.380 nan 0.000 0.426 176 K N 0.227 120.619 120.400 -0.013 0.000 2.103 176 K HA -0.112 4.208 4.320 0.001 0.000 0.207 176 K C 1.829 178.434 176.600 0.009 0.000 1.048 176 K CA 1.702 57.988 56.287 -0.002 0.000 0.930 176 K CB -0.214 32.284 32.500 -0.004 0.000 0.716 176 K HN 0.358 nan 8.250 nan 0.000 0.444 177 T N -2.943 111.619 114.554 0.012 0.000 3.051 177 T HA 0.012 4.362 4.350 0.001 0.000 0.269 177 T C 1.420 176.135 174.700 0.025 0.000 1.127 177 T CA 1.135 63.253 62.100 0.030 0.000 1.107 177 T CB -0.262 68.634 68.868 0.047 0.000 0.898 177 T HN 0.429 nan 8.240 nan 0.000 0.517 178 G N 1.448 110.256 108.800 0.013 0.000 2.220 178 G HA2 -0.350 3.611 3.960 0.001 0.000 0.269 178 G HA3 -0.350 3.611 3.960 0.001 0.000 0.269 178 G C 0.188 175.097 174.900 0.015 0.000 0.977 178 G CA 0.368 45.474 45.100 0.010 0.000 0.634 178 G HN 0.895 nan 8.290 nan 0.000 0.539 179 R N 1.220 121.735 120.500 0.025 0.000 2.297 179 R HA 0.513 4.854 4.340 0.001 0.000 0.308 179 R C -2.388 173.936 176.300 0.040 0.000 1.029 179 R CA -1.771 54.353 56.100 0.039 0.000 0.929 179 R CB 0.745 31.081 30.300 0.060 0.000 1.046 179 R HN 0.028 nan 8.270 nan 0.000 0.461 180 P HA 0.019 nan 4.420 nan 0.000 0.266 180 P C -1.346 176.019 177.300 0.108 0.000 1.215 180 P CA -0.045 63.090 63.100 0.058 0.000 0.763 180 P CB 0.845 32.590 31.700 0.075 0.000 0.806 181 V N 5.182 125.150 119.914 0.090 0.000 2.525 181 V HA 0.263 4.384 4.120 0.001 0.000 0.299 181 V C -0.365 175.830 176.094 0.168 0.000 1.034 181 V CA -0.737 61.646 62.300 0.138 0.000 0.863 181 V CB 1.520 33.379 31.823 0.060 0.000 0.999 181 V HN 0.355 nan 8.190 nan 0.000 0.423 182 F N 5.853 125.865 119.950 0.103 0.000 2.502 182 F HA 0.342 4.870 4.527 0.001 0.000 0.371 182 F C -0.376 175.341 175.800 -0.139 0.000 1.083 182 F CA -0.194 57.823 58.000 0.029 0.000 1.174 182 F CB 0.190 39.226 39.000 0.060 0.000 1.096 182 F HN 0.559 nan 8.300 nan 0.000 0.545 183 Y N 5.872 126.085 120.300 -0.144 0.000 2.385 183 Y HA 0.344 4.894 4.550 0.001 0.000 0.341 183 Y C -0.469 175.368 175.900 -0.106 0.000 0.965 183 Y CA -1.167 56.864 58.100 -0.115 0.000 1.180 183 Y CB 0.817 39.275 38.460 -0.003 0.000 1.139 183 Y HN 0.473 nan 8.280 nan 0.000 0.502 184 S N 7.631 123.195 115.700 -0.227 0.000 2.520 184 S HA 0.505 4.975 4.470 0.001 0.000 0.324 184 S C -1.101 173.337 174.600 -0.269 0.000 1.069 184 S CA -0.686 57.379 58.200 -0.224 0.000 1.121 184 S CB -0.216 62.835 63.200 -0.247 0.000 0.971 184 S HN 0.536 nan 8.310 nan 0.000 0.463 185 L N 4.016 125.035 121.223 -0.340 0.000 2.426 185 L HA 0.378 4.719 4.340 0.001 0.000 0.271 185 L C 0.468 177.200 176.870 -0.231 0.000 1.169 185 L CA 0.085 54.711 54.840 -0.357 0.000 0.836 185 L CB 0.994 42.780 42.059 -0.456 0.000 1.112 185 L HN 0.875 nan 8.230 nan 0.000 0.465 186 C N 4.309 123.442 119.300 -0.280 0.000 3.465 186 C HA 0.325 4.786 4.460 0.001 0.000 0.193 186 C C 0.948 175.550 174.990 -0.646 0.000 1.515 186 C CA -0.591 58.259 59.018 -0.280 0.000 1.340 186 C CB -1.339 26.333 27.740 -0.112 0.000 1.928 186 C HN 0.900 nan 8.230 nan 0.000 0.510 187 N N -0.013 118.289 118.700 -0.665 0.000 2.203 187 N HA 0.031 4.771 4.740 0.001 0.000 0.207 187 N C 0.624 175.820 175.510 -0.524 0.000 1.130 187 N CA -0.092 52.475 53.050 -0.805 0.000 0.861 187 N CB -0.106 38.092 38.487 -0.481 0.000 1.005 187 N HN 0.765 nan 8.380 nan 0.000 0.507 188 W N -0.045 121.256 121.300 0.003 0.000 3.834 188 W HA -0.192 4.469 4.660 0.001 0.000 0.320 188 W C 1.018 177.571 176.519 0.057 0.000 1.201 188 W CA 0.407 57.774 57.345 0.038 0.000 0.701 188 W CB -2.422 27.065 29.460 0.045 0.000 2.264 188 W HN 0.497 nan 8.180 nan 0.000 1.413 189 G N -0.152 108.741 108.800 0.155 0.000 2.159 189 G HA2 -0.353 3.608 3.960 0.001 0.000 0.256 189 G HA3 -0.353 3.608 3.960 0.001 0.000 0.256 189 G C 0.314 175.302 174.900 0.148 0.000 0.977 189 G CA 0.533 45.716 45.100 0.138 0.000 0.652 189 G HN 0.491 nan 8.290 nan 0.000 0.531 190 Q N 0.714 120.621 119.800 0.178 0.000 2.300 190 Q HA 0.356 4.697 4.340 0.001 0.000 0.280 190 Q C 0.389 176.554 176.000 0.274 0.000 1.033 190 Q CA 0.628 56.572 55.803 0.235 0.000 0.903 190 Q CB 0.143 29.024 28.738 0.237 0.000 1.195 190 Q HN 0.369 nan 8.270 nan 0.000 0.386 191 D N 3.370 123.932 120.400 0.270 0.000 2.800 191 D HA -0.217 4.424 4.640 0.001 0.000 0.232 191 D C -0.338 176.155 176.300 0.323 0.000 1.137 191 D CA 1.076 55.247 54.000 0.284 0.000 0.718 191 D CB -1.355 39.615 40.800 0.283 0.000 1.084 191 D HN 0.805 nan 8.370 nan 0.000 0.432 192 L N -1.486 119.812 121.223 0.125 0.000 3.632 192 L HA -0.258 4.083 4.340 0.001 0.000 0.510 192 L C 1.759 178.202 176.870 -0.711 0.000 1.299 192 L CA 0.760 55.442 54.840 -0.263 0.000 0.829 192 L CB -2.277 39.673 42.059 -0.181 0.000 1.559 192 L HN 0.119 nan 8.230 nan 0.000 0.857 193 T N -0.596 113.522 114.554 -0.727 0.000 2.759 193 T HA -0.206 4.144 4.350 0.001 0.000 0.269 193 T C 1.481 175.153 174.700 -1.713 0.000 1.042 193 T CA 1.993 63.143 62.100 -1.584 0.000 1.140 193 T CB -0.307 67.900 68.868 -1.102 0.000 0.864 193 T HN 0.681 nan 8.240 nan 0.000 0.455 194 F N 0.032 119.435 119.950 -0.911 0.000 2.287 194 F HA -0.076 4.451 4.527 0.001 0.000 0.301 194 F C 1.998 177.397 175.800 -0.668 0.000 1.069 194 F CA 0.447 58.011 58.000 -0.726 0.000 1.372 194 F CB -1.286 37.542 39.000 -0.287 0.000 1.056 194 F HN 0.182 nan 8.300 nan 0.000 0.523 195 Y N 0.095 119.792 120.300 -1.005 0.000 2.243 195 Y HA -0.117 4.433 4.550 0.001 0.000 0.293 195 Y C 2.018 177.665 175.900 -0.423 0.000 1.124 195 Y CA 0.818 58.597 58.100 -0.535 0.000 1.159 195 Y CB -0.259 37.929 38.460 -0.453 0.000 1.008 195 Y HN 0.318 nan 8.280 nan 0.000 0.527 196 W N -2.153 118.917 121.300 -0.382 0.000 2.870 196 W HA 0.445 5.105 4.660 0.001 0.000 0.358 196 W C 1.300 177.591 176.519 -0.379 0.000 1.043 196 W CA 0.605 57.751 57.345 -0.332 0.000 1.692 196 W CB -0.881 28.416 29.460 -0.272 0.000 1.100 196 W HN -0.028 nan 8.180 nan 0.000 0.557 197 G N 2.497 110.671 108.800 -1.044 0.000 2.421 197 G HA2 -0.336 3.624 3.960 0.001 0.000 0.216 197 G HA3 -0.336 3.624 3.960 0.001 0.000 0.216 197 G C 1.741 176.310 174.900 -0.553 0.000 1.171 197 G CA 2.381 46.800 45.100 -1.134 0.000 0.775 197 G HN 0.279 nan 8.290 nan 0.000 0.543 198 S N 0.768 116.172 115.700 -0.494 0.000 2.374 198 S HA -0.032 4.438 4.470 0.001 0.000 0.227 198 S C 2.437 176.994 174.600 -0.070 0.000 1.037 198 S CA 1.813 59.986 58.200 -0.044 0.000 1.024 198 S CB -0.943 62.261 63.200 0.007 0.000 0.861 198 S HN 0.479 nan 8.310 nan 0.000 0.456 199 G N 1.290 110.045 108.800 -0.076 0.000 2.598 199 G HA2 0.228 4.189 3.960 0.001 0.000 0.215 199 G HA3 0.228 4.189 3.960 0.001 0.000 0.215 199 G C 1.310 176.101 174.900 -0.182 0.000 1.131 199 G CA 0.750 45.838 45.100 -0.019 0.000 0.785 199 G HN 0.900 nan 8.290 nan 0.000 0.539 200 I N -4.605 115.715 120.570 -0.417 0.000 4.557 200 I HA 0.719 4.890 4.170 0.001 0.000 0.333 200 I C 0.416 175.972 176.117 -0.935 0.000 1.332 200 I CA -0.313 60.617 61.300 -0.616 0.000 1.240 200 I CB 0.808 38.726 38.000 -0.136 0.000 1.312 200 I HN 0.046 nan 8.210 nan 0.000 0.457 201 A N 1.073 123.395 122.820 -0.831 0.000 2.593 201 A HA 0.591 4.912 4.320 0.001 0.000 0.290 201 A C -0.749 176.800 177.584 -0.057 0.000 1.126 201 A CA -0.569 51.273 52.037 -0.323 0.000 0.695 201 A CB 0.993 19.826 19.000 -0.280 0.000 1.290 201 A HN 0.171 nan 8.150 nan 0.000 0.414 202 N N -0.354 118.316 118.700 -0.050 0.000 2.415 202 N HA 0.190 4.930 4.740 0.001 0.000 0.174 202 N C 0.011 175.424 175.510 -0.161 0.000 1.048 202 N CA 0.847 53.769 53.050 -0.213 0.000 0.895 202 N CB 0.518 38.455 38.487 -0.916 0.000 1.036 202 N HN 0.778 nan 8.380 nan 0.000 0.449 203 S N -0.304 115.336 115.700 -0.100 0.000 2.537 203 S HA 0.588 5.058 4.470 0.001 0.000 0.271 203 S C -2.151 172.367 174.600 -0.137 0.000 1.148 203 S CA -1.168 56.886 58.200 -0.243 0.000 0.868 203 S CB 0.471 63.695 63.200 0.039 0.000 1.115 203 S HN 0.357 nan 8.310 nan 0.000 0.461 204 W N 1.037 122.255 121.300 -0.135 0.000 2.957 204 W HA 0.724 5.385 4.660 0.001 0.000 0.336 204 W C -0.476 175.954 176.519 -0.148 0.000 1.087 204 W CA -1.076 56.125 57.345 -0.239 0.000 1.235 204 W CB 0.942 30.172 29.460 -0.383 0.000 1.399 204 W HN 0.550 nan 8.180 nan 0.000 0.480 205 R N 4.037 124.553 120.500 0.028 0.000 2.522 205 R HA 0.109 4.450 4.340 0.001 0.000 0.284 205 R C 0.578 176.960 176.300 0.136 0.000 1.032 205 R CA -0.067 56.072 56.100 0.064 0.000 1.049 205 R CB 0.823 31.174 30.300 0.086 0.000 0.956 205 R HN 0.872 nan 8.270 nan 0.000 0.422 206 M N -1.067 118.620 119.600 0.145 0.000 2.346 206 M HA 0.195 4.676 4.480 0.001 0.000 0.280 206 M C -0.010 176.399 176.300 0.182 0.000 1.075 206 M CA -0.480 54.931 55.300 0.185 0.000 0.989 206 M CB 0.241 32.945 32.600 0.173 0.000 1.447 206 M HN 0.360 nan 8.290 nan 0.000 0.511 207 S N -1.492 114.331 115.700 0.205 0.000 2.643 207 S HA 0.886 5.357 4.470 0.001 0.000 0.270 207 S C 0.031 174.784 174.600 0.255 0.000 1.166 207 S CA -0.487 57.833 58.200 0.201 0.000 0.815 207 S CB 0.494 63.769 63.200 0.126 0.000 1.139 207 S HN 0.493 nan 8.310 nan 0.000 0.472 208 G N 0.201 109.079 108.800 0.130 0.000 2.634 208 G HA2 0.442 4.403 3.960 0.001 0.000 0.255 208 G HA3 0.442 4.403 3.960 0.001 0.000 0.255 208 G C -0.816 174.128 174.900 0.073 0.000 1.205 208 G CA -0.452 44.635 45.100 -0.021 0.000 0.884 208 G HN 0.733 nan 8.290 nan 0.000 0.549 209 D N -0.858 119.581 120.400 0.065 0.000 2.506 209 D HA 0.097 4.738 4.640 0.001 0.000 0.234 209 D C 0.748 177.091 176.300 0.072 0.000 1.143 209 D CA -0.097 53.979 54.000 0.127 0.000 0.871 209 D CB 1.399 42.302 40.800 0.171 0.000 1.190 209 D HN 0.118 nan 8.370 nan 0.000 0.459 210 V N 1.752 121.725 119.914 0.097 0.000 3.133 210 V HA 0.393 4.514 4.120 0.001 0.000 0.305 210 V C 0.367 176.428 176.094 -0.056 0.000 1.084 210 V CA 0.320 62.649 62.300 0.047 0.000 1.089 210 V CB 1.759 33.655 31.823 0.121 0.000 1.073 210 V HN 0.686 nan 8.190 nan 0.000 0.477 211 T N 2.996 117.492 114.554 -0.097 0.000 2.883 211 T HA 0.604 4.955 4.350 0.001 0.000 0.296 211 T C -0.081 174.555 174.700 -0.106 0.000 1.117 211 T CA -0.057 61.971 62.100 -0.120 0.000 1.006 211 T CB 1.539 70.338 68.868 -0.115 0.000 1.191 211 T HN 1.167 nan 8.240 nan 0.000 0.508 212 A N 2.905 125.677 122.820 -0.079 0.000 2.900 212 A HA 0.376 4.697 4.320 0.001 0.000 0.246 212 A C 0.170 177.734 177.584 -0.034 0.000 1.725 212 A CA 0.152 52.148 52.037 -0.070 0.000 1.400 212 A CB -0.506 18.466 19.000 -0.048 0.000 0.973 212 A HN 0.557 nan 8.150 nan 0.000 0.635 213 E N -0.927 119.248 120.200 -0.041 0.000 2.234 213 E HA 0.288 4.639 4.350 0.001 0.000 0.266 213 E C -0.300 176.325 176.600 0.042 0.000 0.877 213 E CA -0.610 55.800 56.400 0.018 0.000 0.758 213 E CB 1.349 31.026 29.700 -0.038 0.000 1.170 213 E HN 0.307 nan 8.360 nan 0.000 0.415 214 F N 2.237 122.172 119.950 -0.024 0.000 2.187 214 F HA -0.137 4.390 4.527 0.001 0.000 0.295 214 F C 2.069 177.837 175.800 -0.053 0.000 1.091 214 F CA 2.104 60.072 58.000 -0.054 0.000 1.308 214 F CB 0.428 39.437 39.000 0.015 0.000 1.030 214 F HN 0.549 nan 8.300 nan 0.000 0.487 215 T N -3.172 111.429 114.554 0.078 0.000 2.980 215 T HA 0.173 4.523 4.350 0.001 0.000 0.252 215 T C 1.088 175.778 174.700 -0.016 0.000 0.962 215 T CA -0.446 61.654 62.100 -0.001 0.000 0.932 215 T CB -0.421 68.519 68.868 0.121 0.000 1.188 215 T HN 0.010 nan 8.240 nan 0.000 0.500 216 R N 3.260 123.709 120.500 -0.086 0.000 2.501 216 R HA 0.100 4.440 4.340 0.001 0.000 0.319 216 R C -2.502 173.627 176.300 -0.285 0.000 0.913 216 R CA -0.871 54.963 56.100 -0.444 0.000 1.104 216 R CB -0.128 29.708 30.300 -0.774 0.000 0.901 216 R HN 0.254 nan 8.270 nan 0.000 0.407 217 P HA 0.059 nan 4.420 nan 0.000 0.271 217 P C -1.133 176.055 177.300 -0.186 0.000 1.218 217 P CA 0.022 63.033 63.100 -0.148 0.000 0.780 217 P CB 0.725 32.375 31.700 -0.084 0.000 0.901 218 D N -0.006 120.306 120.400 -0.146 0.000 2.879 218 D HA 0.085 4.725 4.640 0.001 0.000 0.236 218 D C 0.889 177.110 176.300 -0.132 0.000 1.171 218 D CA -0.278 53.626 54.000 -0.160 0.000 0.868 218 D CB 1.816 42.512 40.800 -0.172 0.000 1.598 218 D HN 0.282 nan 8.370 nan 0.000 0.497 219 S N 3.164 118.787 115.700 -0.128 0.000 2.442 219 S HA -0.152 4.319 4.470 0.001 0.000 0.236 219 S C 1.447 175.970 174.600 -0.128 0.000 1.007 219 S CA 0.751 58.887 58.200 -0.107 0.000 0.965 219 S CB -0.042 63.106 63.200 -0.086 0.000 0.773 219 S HN 0.506 nan 8.310 nan 0.000 0.504 220 R N -0.413 119.999 120.500 -0.146 0.000 2.276 220 R HA 0.208 4.548 4.340 0.001 0.000 0.203 220 R C 0.544 176.772 176.300 -0.119 0.000 1.017 220 R CA 0.582 56.613 56.100 -0.115 0.000 1.010 220 R CB -0.184 30.040 30.300 -0.127 0.000 0.900 220 R HN 0.461 nan 8.270 nan 0.000 0.469 221 c N 2.323 120.848 118.600 -0.125 0.000 2.787 221 c HA 0.406 4.976 4.570 0.001 0.000 0.265 221 c C -1.437 172.593 174.090 -0.099 0.000 1.190 221 c CA -2.240 54.026 56.329 -0.104 0.000 1.616 221 c CB 0.536 43.007 42.510 -0.065 0.000 1.732 221 c HN 0.258 nan 8.230 nan 0.000 0.433 222 P HA 0.010 nan 4.420 nan 0.000 0.221 222 P C 0.427 177.709 177.300 -0.030 0.000 1.150 222 P CA 0.664 63.719 63.100 -0.075 0.000 0.800 222 P CB -0.088 31.568 31.700 -0.073 0.000 0.787 223 c N 3.094 121.684 118.600 -0.016 0.000 2.576 223 c HA 0.194 4.764 4.570 0.001 0.000 0.401 223 c C 1.103 175.192 174.090 -0.002 0.000 1.314 223 c CA -0.672 55.658 56.329 0.002 0.000 1.855 223 c CB -0.790 41.734 42.510 0.023 0.000 2.537 223 c HN 0.372 nan 8.230 nan 0.000 0.578 224 D N 2.105 122.504 120.400 -0.000 0.000 2.414 224 D HA 0.241 4.882 4.640 0.001 0.000 0.259 224 D C 1.422 177.737 176.300 0.024 0.000 1.269 224 D CA -0.021 53.983 54.000 0.008 0.000 1.028 224 D CB 0.133 40.938 40.800 0.009 0.000 1.093 224 D HN 0.503 nan 8.370 nan 0.000 0.545 225 G N -1.037 107.787 108.800 0.039 0.000 2.462 225 G HA2 -0.240 3.720 3.960 0.001 0.000 0.220 225 G HA3 -0.240 3.720 3.960 0.001 0.000 0.220 225 G C 0.934 175.877 174.900 0.072 0.000 1.121 225 G CA 0.644 45.776 45.100 0.055 0.000 0.758 225 G HN 0.497 nan 8.290 nan 0.000 0.559 226 D N -0.198 120.243 120.400 0.068 0.000 2.348 226 D HA 0.018 4.658 4.640 0.001 0.000 0.211 226 D C 1.099 177.417 176.300 0.030 0.000 0.998 226 D CA 0.223 54.272 54.000 0.082 0.000 0.873 226 D CB 0.205 41.046 40.800 0.069 0.000 0.925 226 D HN 0.429 nan 8.370 nan 0.000 0.524 227 E N 0.901 121.087 120.200 -0.023 0.000 2.028 227 E HA 0.008 4.358 4.350 0.001 0.000 0.275 227 E C 0.532 177.067 176.600 -0.108 0.000 1.171 227 E CA -0.372 55.944 56.400 -0.139 0.000 1.186 227 E CB -0.121 29.534 29.700 -0.075 0.000 1.256 227 E HN 0.274 nan 8.360 nan 0.000 0.474 228 Y N 0.247 120.571 120.300 0.039 0.000 2.352 228 Y HA -0.000 4.550 4.550 0.001 0.000 0.292 228 Y C 0.875 176.844 175.900 0.116 0.000 1.136 228 Y CA 0.199 58.326 58.100 0.045 0.000 1.227 228 Y CB -0.091 38.352 38.460 -0.029 0.000 0.991 228 Y HN 0.147 nan 8.280 nan 0.000 0.545 229 D N 1.209 121.451 120.400 -0.262 0.000 2.564 229 D HA 0.119 4.760 4.640 0.001 0.000 0.226 229 D C -1.081 175.218 176.300 -0.002 0.000 1.149 229 D CA -0.564 53.429 54.000 -0.011 0.000 0.994 229 D CB -0.198 40.564 40.800 -0.064 0.000 1.029 229 D HN 0.374 nan 8.370 nan 0.000 0.517 230 c N 3.692 122.341 118.600 0.083 0.000 2.350 230 c HA 0.396 4.966 4.570 0.001 0.000 0.348 230 c C 1.291 175.470 174.090 0.147 0.000 1.260 230 c CA -0.611 55.775 56.329 0.096 0.000 1.966 230 c CB 0.300 42.877 42.510 0.111 0.000 2.380 230 c HN 0.493 nan 8.230 nan 0.000 0.535 231 K N 3.112 123.600 120.400 0.147 0.000 2.352 231 K HA 0.062 4.383 4.320 0.001 0.000 0.194 231 K C -0.126 176.600 176.600 0.209 0.000 1.038 231 K CA 0.722 57.112 56.287 0.172 0.000 1.023 231 K CB 0.257 32.838 32.500 0.134 0.000 0.840 231 K HN 0.834 nan 8.250 nan 0.000 0.519 232 Y N 0.571 120.909 120.300 0.064 0.000 2.705 232 Y HA 0.255 4.806 4.550 0.001 0.000 0.355 232 Y C 1.014 176.913 175.900 -0.001 0.000 1.039 232 Y CA -0.631 57.483 58.100 0.024 0.000 1.233 232 Y CB 0.924 39.392 38.460 0.015 0.000 1.103 232 Y HN -0.020 nan 8.280 nan 0.000 0.624 233 A N 3.344 126.303 122.820 0.232 0.000 1.917 233 A HA 0.115 4.436 4.320 0.001 0.000 0.219 233 A C 1.653 179.183 177.584 -0.089 0.000 1.182 233 A CA 1.908 53.992 52.037 0.078 0.000 0.633 233 A CB -1.133 17.951 19.000 0.141 0.000 0.819 233 A HN 1.238 nan 8.150 nan 0.000 0.448 234 G N -1.382 107.291 108.800 -0.211 0.000 2.601 234 G HA2 -0.081 3.879 3.960 0.001 0.000 0.252 234 G HA3 -0.081 3.879 3.960 0.001 0.000 0.252 234 G C 0.106 174.959 174.900 -0.080 0.000 1.294 234 G CA 0.464 45.421 45.100 -0.238 0.000 0.912 234 G HN 1.926 nan 8.290 nan 0.000 0.574 235 F N -4.695 115.119 119.950 -0.226 0.000 2.985 235 F HA 0.715 5.242 4.527 0.001 0.000 0.322 235 F C 0.589 176.389 175.800 0.000 0.000 1.187 235 F CA -0.386 57.529 58.000 -0.142 0.000 0.910 235 F CB 0.821 39.734 39.000 -0.145 0.000 1.411 235 F HN 0.957 nan 8.300 nan 0.000 0.492 236 H N -1.150 117.753 119.070 -0.278 0.000 2.862 236 H HA -0.175 4.381 4.556 0.001 0.000 0.290 236 H C -0.512 174.700 175.328 -0.194 0.000 1.211 236 H CA 0.556 56.405 56.048 -0.331 0.000 1.140 236 H CB -1.802 27.630 29.762 -0.550 0.000 1.341 236 H HN 0.679 nan 8.280 nan 0.000 0.392 237 c N 2.119 120.690 118.600 -0.047 0.000 2.593 237 c HA 0.325 4.895 4.570 0.001 0.000 0.409 237 c C 1.579 175.640 174.090 -0.048 0.000 1.304 237 c CA 0.074 56.382 56.329 -0.035 0.000 2.007 237 c CB 0.804 43.316 42.510 0.002 0.000 2.614 237 c HN 0.646 nan 8.230 nan 0.000 0.585 238 S N 2.561 118.220 115.700 -0.068 0.000 2.600 238 S HA 0.300 4.770 4.470 0.001 0.000 0.265 238 S C 0.950 175.492 174.600 -0.097 0.000 1.325 238 S CA -0.450 57.691 58.200 -0.099 0.000 1.002 238 S CB 0.281 63.408 63.200 -0.120 0.000 0.921 238 S HN 0.585 nan 8.310 nan 0.000 0.554 239 I N 0.565 121.022 120.570 -0.188 0.000 2.208 239 I HA -0.193 3.978 4.170 0.001 0.000 0.245 239 I C 2.416 178.455 176.117 -0.129 0.000 1.097 239 I CA 1.366 62.548 61.300 -0.196 0.000 1.363 239 I CB -0.282 37.430 38.000 -0.479 0.000 1.051 239 I HN 0.601 nan 8.210 nan 0.000 0.413 240 M N -0.207 119.171 119.600 -0.369 0.000 2.254 240 M HA -0.163 4.318 4.480 0.001 0.000 0.265 240 M C 2.086 178.327 176.300 -0.099 0.000 1.066 240 M CA 1.285 56.411 55.300 -0.289 0.000 1.123 240 M CB -1.570 30.784 32.600 -0.409 0.000 1.388 240 M HN 0.374 nan 8.290 nan 0.000 0.425 241 N N 1.118 119.774 118.700 -0.072 0.000 2.120 241 N HA -0.130 4.611 4.740 0.001 0.000 0.188 241 N C 1.648 177.166 175.510 0.013 0.000 1.024 241 N CA 1.323 54.362 53.050 -0.018 0.000 0.852 241 N CB 0.058 38.531 38.487 -0.024 0.000 1.003 241 N HN 0.357 nan 8.380 nan 0.000 0.424 242 I N 0.472 121.064 120.570 0.036 0.000 2.333 242 I HA -0.204 3.967 4.170 0.001 0.000 0.246 242 I C 2.376 178.465 176.117 -0.047 0.000 1.106 242 I CA 0.311 61.633 61.300 0.037 0.000 1.411 242 I CB -0.213 37.861 38.000 0.123 0.000 1.082 242 I HN 0.108 nan 8.210 nan 0.000 0.420 243 L N 1.285 122.482 121.223 -0.043 0.000 2.042 243 L HA -0.222 4.118 4.340 0.001 0.000 0.210 243 L C 2.133 179.020 176.870 0.028 0.000 1.076 243 L CA 1.948 56.725 54.840 -0.105 0.000 0.749 243 L CB -0.859 41.174 42.059 -0.043 0.000 0.893 243 L HN 0.204 nan 8.230 nan 0.000 0.432 244 N N -0.083 118.645 118.700 0.047 0.000 2.166 244 N HA -0.181 4.559 4.740 0.001 0.000 0.186 244 N C 1.807 177.349 175.510 0.053 0.000 1.019 244 N CA 1.322 54.412 53.050 0.066 0.000 0.856 244 N CB -0.142 38.374 38.487 0.048 0.000 0.993 244 N HN 0.433 nan 8.380 nan 0.000 0.426 245 K N 0.432 120.858 120.400 0.044 0.000 2.148 245 K HA 0.065 4.386 4.320 0.001 0.000 0.204 245 K C 1.872 178.479 176.600 0.013 0.000 1.050 245 K CA 1.076 57.400 56.287 0.063 0.000 0.942 245 K CB -0.002 32.540 32.500 0.071 0.000 0.724 245 K HN 0.113 nan 8.250 nan 0.000 0.446 246 A N 1.077 123.880 122.820 -0.028 0.000 2.016 246 A HA 0.062 4.383 4.320 0.001 0.000 0.217 246 A C 2.254 179.809 177.584 -0.049 0.000 1.162 246 A CA 1.196 53.188 52.037 -0.075 0.000 0.662 246 A CB -0.450 18.455 19.000 -0.159 0.000 0.812 246 A HN 0.281 nan 8.150 nan 0.000 0.450 247 A N 1.239 124.083 122.820 0.041 0.000 1.896 247 A HA -0.186 4.135 4.320 0.001 0.000 0.220 247 A C 0.431 177.913 177.584 -0.170 0.000 1.206 247 A CA 2.201 54.251 52.037 0.021 0.000 0.647 247 A CB -1.744 17.198 19.000 -0.097 0.000 0.828 247 A HN 0.532 nan 8.150 nan 0.000 0.455 248 P HA 0.011 nan 4.420 nan 0.000 0.236 248 P C 1.192 178.232 177.300 -0.433 0.000 1.177 248 P CA 0.811 63.684 63.100 -0.378 0.000 0.773 248 P CB -0.085 31.296 31.700 -0.533 0.000 0.878 249 M N -1.014 118.348 119.600 -0.398 0.000 2.558 249 M HA 0.098 4.578 4.480 0.001 0.000 0.255 249 M C 2.150 178.335 176.300 -0.192 0.000 1.113 249 M CA 0.898 55.939 55.300 -0.432 0.000 1.097 249 M CB -0.717 31.678 32.600 -0.342 0.000 1.426 249 M HN -0.062 nan 8.290 nan 0.000 0.488 250 G N 1.694 110.422 108.800 -0.119 0.000 2.469 250 G HA2 -0.290 3.671 3.960 0.001 0.000 0.219 250 G HA3 -0.290 3.671 3.960 0.001 0.000 0.219 250 G C 1.351 176.244 174.900 -0.012 0.000 1.150 250 G CA 1.095 46.179 45.100 -0.027 0.000 0.763 250 G HN 0.694 nan 8.290 nan 0.000 0.561 251 Q N -0.335 119.430 119.800 -0.058 0.000 2.364 251 Q HA -0.016 4.325 4.340 0.001 0.000 0.209 251 Q C 1.227 177.231 176.000 0.007 0.000 0.977 251 Q CA 1.400 57.187 55.803 -0.026 0.000 0.885 251 Q CB -0.241 28.464 28.738 -0.056 0.000 0.941 251 Q HN 0.453 nan 8.270 nan 0.000 0.464 252 N N 0.131 118.839 118.700 0.013 0.000 2.214 252 N HA 0.296 5.037 4.740 0.001 0.000 0.214 252 N C -0.847 174.776 175.510 0.188 0.000 1.132 252 N CA 0.259 53.370 53.050 0.100 0.000 0.856 252 N CB 1.271 39.845 38.487 0.144 0.000 1.020 252 N HN 0.367 nan 8.380 nan 0.000 0.509 253 A N -0.447 122.442 122.820 0.116 0.000 2.322 253 A HA 0.964 5.285 4.320 0.001 0.000 0.327 253 A C 0.447 177.974 177.584 -0.094 0.000 1.134 253 A CA -0.240 51.827 52.037 0.049 0.000 0.831 253 A CB 1.174 20.232 19.000 0.096 0.000 1.288 253 A HN 0.188 nan 8.150 nan 0.000 0.472 254 G N -1.483 107.028 108.800 -0.483 0.000 2.321 254 G HA2 0.480 4.441 3.960 0.001 0.000 0.296 254 G HA3 0.480 4.441 3.960 0.001 0.000 0.296 254 G C -1.130 173.003 174.900 -1.279 0.000 1.287 254 G CA -0.170 44.583 45.100 -0.579 0.000 0.846 254 G HN 1.172 nan 8.290 nan 0.000 0.508 255 V N 1.553 121.123 119.914 -0.573 0.000 2.506 255 V HA 0.355 4.475 4.120 0.001 0.000 0.296 255 V C 1.769 177.636 176.094 -0.378 0.000 1.004 255 V CA 2.360 64.468 62.300 -0.321 0.000 1.150 255 V CB 0.125 31.937 31.823 -0.018 0.000 0.911 255 V HN 2.544 nan 8.190 nan 0.000 0.476 256 G N 3.773 112.343 108.800 -0.383 0.000 2.213 256 G HA2 -0.069 3.892 3.960 0.001 0.000 0.236 256 G HA3 -0.069 3.892 3.960 0.001 0.000 0.236 256 G C 0.416 175.111 174.900 -0.341 0.000 0.991 256 G CA -0.101 44.861 45.100 -0.230 0.000 0.629 256 G HN 1.713 nan 8.290 nan 0.000 0.517 257 G N -0.729 107.615 108.800 -0.760 0.000 2.513 257 G HA2 0.514 4.475 3.960 0.001 0.000 0.282 257 G HA3 0.514 4.475 3.960 0.001 0.000 0.282 257 G C -0.796 173.503 174.900 -1.002 0.000 1.397 257 G CA -0.481 44.298 45.100 -0.535 0.000 1.291 257 G HN 0.446 nan 8.290 nan 0.000 0.596 258 W N 1.198 122.001 121.300 -0.828 0.000 2.706 258 W HA 0.474 5.135 4.660 0.001 0.000 0.346 258 W C 0.078 175.796 176.519 -1.334 0.000 1.071 258 W CA -1.148 55.728 57.345 -0.783 0.000 1.206 258 W CB 1.634 30.853 29.460 -0.402 0.000 1.413 258 W HN 0.241 nan 8.180 nan 0.000 0.542 259 N N 2.282 120.650 118.700 -0.553 0.000 2.497 259 N HA 0.010 4.750 4.740 0.001 0.000 0.271 259 N C -1.070 174.214 175.510 -0.377 0.000 1.142 259 N CA 0.233 52.965 53.050 -0.530 0.000 0.965 259 N CB 0.898 39.279 38.487 -0.176 0.000 1.077 259 N HN 0.374 nan 8.380 nan 0.000 0.462 260 D N 2.695 122.891 120.400 -0.339 0.000 2.392 260 D HA 0.180 4.820 4.640 0.001 0.000 0.228 260 D C 0.395 176.618 176.300 -0.128 0.000 1.074 260 D CA -0.448 53.439 54.000 -0.188 0.000 0.838 260 D CB 0.747 41.479 40.800 -0.113 0.000 1.067 260 D HN 0.340 nan 8.370 nan 0.000 0.511 261 L N 2.539 123.635 121.223 -0.212 0.000 2.688 261 L HA 0.235 4.576 4.340 0.001 0.000 0.234 261 L C 0.266 177.264 176.870 0.213 0.000 1.192 261 L CA -0.236 54.472 54.840 -0.221 0.000 0.984 261 L CB -0.889 40.582 42.059 -0.981 0.000 1.232 261 L HN 0.468 nan 8.230 nan 0.000 0.465 262 D N 0.177 120.716 120.400 0.233 0.000 10.757 262 D HA -0.183 4.458 4.640 0.001 0.000 0.352 262 D C -0.246 176.299 176.300 0.409 0.000 3.129 262 D CA 0.338 54.523 54.000 0.309 0.000 2.630 262 D CB 0.252 41.232 40.800 0.301 0.000 1.214 262 D HN 0.094 nan 8.370 nan 0.000 0.943 263 N N 0.506 119.378 118.700 0.287 0.000 2.329 263 N HA 0.150 4.891 4.740 0.001 0.000 0.237 263 N C -0.015 175.652 175.510 0.261 0.000 1.258 263 N CA 0.101 53.301 53.050 0.250 0.000 0.866 263 N CB 0.064 38.651 38.487 0.167 0.000 1.102 263 N HN 0.325 nan 8.380 nan 0.000 0.440 264 L N 1.607 122.970 121.223 0.235 0.000 2.416 264 L HA 0.041 4.381 4.340 0.001 0.000 0.272 264 L C 1.600 178.601 176.870 0.218 0.000 1.161 264 L CA 0.177 55.111 54.840 0.156 0.000 0.845 264 L CB 0.521 42.689 42.059 0.181 0.000 1.119 264 L HN 0.403 nan 8.230 nan 0.000 0.464 265 E N 1.775 122.137 120.200 0.271 0.000 2.463 265 E HA 0.083 4.434 4.350 0.001 0.000 0.193 265 E C -0.204 176.444 176.600 0.079 0.000 1.041 265 E CA -0.064 56.399 56.400 0.106 0.000 0.879 265 E CB 0.539 30.202 29.700 -0.062 0.000 0.997 265 E HN 0.323 nan 8.360 nan 0.000 0.478 266 V N 1.122 121.065 119.914 0.048 0.000 2.493 266 V HA 0.143 4.263 4.120 0.001 0.000 0.292 266 V C 1.513 177.617 176.094 0.016 0.000 1.016 266 V CA 1.306 63.522 62.300 -0.140 0.000 1.097 266 V CB 0.401 31.830 31.823 -0.657 0.000 0.947 266 V HN 0.553 nan 8.190 nan 0.000 0.479 267 G N 3.856 112.660 108.800 0.005 0.000 2.195 267 G HA2 -0.193 3.767 3.960 0.001 0.000 0.246 267 G HA3 -0.193 3.767 3.960 0.001 0.000 0.246 267 G C 0.008 174.932 174.900 0.041 0.000 0.984 267 G CA -0.011 45.130 45.100 0.068 0.000 0.633 267 G HN 0.805 nan 8.290 nan 0.000 0.525 268 V N 0.665 120.593 119.914 0.023 0.000 2.547 268 V HA 0.825 4.946 4.120 0.001 0.000 0.299 268 V C 1.458 177.534 176.094 -0.030 0.000 1.040 268 V CA 0.437 62.729 62.300 -0.013 0.000 0.913 268 V CB 0.764 32.578 31.823 -0.014 0.000 0.992 268 V HN 2.025 nan 8.190 nan 0.000 0.449 269 G N 4.659 113.434 108.800 -0.042 0.000 2.547 269 G HA2 -0.289 3.671 3.960 0.001 0.000 0.271 269 G HA3 -0.289 3.671 3.960 0.001 0.000 0.271 269 G C -0.041 174.839 174.900 -0.033 0.000 1.209 269 G CA 0.615 45.693 45.100 -0.038 0.000 0.959 269 G HN 0.879 nan 8.290 nan 0.000 0.563 270 N N 0.020 118.703 118.700 -0.029 0.000 2.642 270 N HA 0.457 5.197 4.740 0.001 0.000 0.308 270 N C -0.126 175.364 175.510 -0.033 0.000 1.914 270 N CA -0.432 52.599 53.050 -0.031 0.000 0.893 270 N CB 0.586 39.058 38.487 -0.025 0.000 1.322 270 N HN 0.474 nan 8.380 nan 0.000 0.490 271 L N 0.723 121.921 121.223 -0.042 0.000 2.436 271 L HA 0.310 4.651 4.340 0.001 0.000 0.265 271 L C 1.406 178.222 176.870 -0.091 0.000 1.168 271 L CA -0.484 54.322 54.840 -0.057 0.000 0.815 271 L CB 0.520 42.544 42.059 -0.058 0.000 1.109 271 L HN 0.266 nan 8.230 nan 0.000 0.462 272 T N -2.856 111.624 114.554 -0.123 0.000 2.766 272 T HA 0.015 4.365 4.350 0.001 0.000 0.295 272 T C 0.734 175.330 174.700 -0.175 0.000 1.024 272 T CA -0.405 61.607 62.100 -0.147 0.000 1.018 272 T CB 1.018 69.782 68.868 -0.174 0.000 1.002 272 T HN 0.705 nan 8.240 nan 0.000 0.532 273 D N 0.065 120.360 120.400 -0.175 0.000 2.123 273 D HA -0.142 4.498 4.640 0.001 0.000 0.196 273 D C 1.606 177.741 176.300 -0.276 0.000 0.992 273 D CA 1.409 55.283 54.000 -0.211 0.000 0.833 273 D CB -0.221 40.465 40.800 -0.189 0.000 0.954 273 D HN 0.599 nan 8.370 nan 0.000 0.455 274 D N 0.084 120.325 120.400 -0.264 0.000 2.117 274 D HA -0.141 4.499 4.640 0.001 0.000 0.197 274 D C 1.951 178.041 176.300 -0.349 0.000 0.987 274 D CA 0.845 54.667 54.000 -0.296 0.000 0.829 274 D CB -0.193 40.465 40.800 -0.237 0.000 0.961 274 D HN 0.483 nan 8.370 nan 0.000 0.460 275 E N 0.635 120.600 120.200 -0.391 0.000 2.110 275 E HA -0.146 4.205 4.350 0.001 0.000 0.193 275 E C 2.045 178.497 176.600 -0.246 0.000 0.988 275 E CA 0.702 56.771 56.400 -0.551 0.000 0.804 275 E CB 0.049 29.458 29.700 -0.485 0.000 0.745 275 E HN 0.387 nan 8.360 nan 0.000 0.458 276 E N 0.727 120.808 120.200 -0.198 0.000 2.072 276 E HA -0.148 4.203 4.350 0.001 0.000 0.191 276 E C 2.002 178.515 176.600 -0.145 0.000 0.985 276 E CA 0.720 57.039 56.400 -0.136 0.000 0.801 276 E CB 0.048 29.634 29.700 -0.190 0.000 0.750 276 E HN 0.153 nan 8.360 nan 0.000 0.452 277 K N 0.630 120.861 120.400 -0.283 0.000 2.026 277 K HA -0.119 4.201 4.320 0.001 0.000 0.208 277 K C 2.257 178.800 176.600 -0.095 0.000 1.048 277 K CA 1.076 57.147 56.287 -0.360 0.000 0.929 277 K CB -0.170 31.802 32.500 -0.880 0.000 0.713 277 K HN 0.025 nan 8.250 nan 0.000 0.439 278 A N 1.305 124.051 122.820 -0.123 0.000 1.877 278 A HA -0.243 4.077 4.320 0.001 0.000 0.216 278 A C 2.042 179.678 177.584 0.087 0.000 1.186 278 A CA 2.036 54.064 52.037 -0.014 0.000 0.620 278 A CB -0.865 18.165 19.000 0.050 0.000 0.822 278 A HN 0.415 nan 8.150 nan 0.000 0.443 279 H N -1.414 117.671 119.070 0.025 0.000 2.321 279 H HA -0.149 4.407 4.556 0.001 0.000 0.300 279 H C 1.666 176.901 175.328 -0.155 0.000 1.087 279 H CA 2.035 58.008 56.048 -0.125 0.000 1.319 279 H CB -0.591 29.034 29.762 -0.229 0.000 1.379 279 H HN 0.420 nan 8.280 nan 0.000 0.501 280 F N 0.708 120.431 119.950 -0.378 0.000 2.146 280 F HA -0.097 4.431 4.527 0.001 0.000 0.298 280 F C 2.530 178.222 175.800 -0.180 0.000 1.096 280 F CA 1.539 59.336 58.000 -0.339 0.000 1.275 280 F CB -0.539 38.345 39.000 -0.193 0.000 1.008 280 F HN 0.151 nan 8.300 nan 0.000 0.480 281 S N 0.485 116.050 115.700 -0.224 0.000 2.356 281 S HA -0.207 4.264 4.470 0.001 0.000 0.223 281 S C 2.023 176.231 174.600 -0.653 0.000 1.032 281 S CA 1.604 59.376 58.200 -0.712 0.000 1.005 281 S CB -0.346 62.171 63.200 -1.139 0.000 0.867 281 S HN 0.278 nan 8.310 nan 0.000 0.449 282 M N 0.346 119.713 119.600 -0.389 0.000 2.086 282 M HA -0.046 4.434 4.480 0.001 0.000 0.261 282 M C 1.932 178.128 176.300 -0.174 0.000 1.067 282 M CA 1.171 56.288 55.300 -0.305 0.000 1.116 282 M CB -1.489 30.991 32.600 -0.201 0.000 1.348 282 M HN 0.488 nan 8.290 nan 0.000 0.407 283 W N 0.324 121.387 121.300 -0.396 0.000 2.321 283 W HA -0.223 4.438 4.660 0.001 0.000 0.306 283 W C 2.435 178.714 176.519 -0.401 0.000 1.217 283 W CA 1.235 58.370 57.345 -0.351 0.000 1.257 283 W CB -0.286 28.969 29.460 -0.342 0.000 1.145 283 W HN 0.312 nan 8.180 nan 0.000 0.509 284 A N -0.275 122.366 122.820 -0.300 0.000 1.897 284 A HA -0.217 4.104 4.320 0.001 0.000 0.215 284 A C 1.885 179.321 177.584 -0.248 0.000 1.181 284 A CA 1.493 53.311 52.037 -0.365 0.000 0.620 284 A CB -0.982 17.714 19.000 -0.508 0.000 0.821 284 A HN 0.261 nan 8.150 nan 0.000 0.443 285 M N 0.417 119.915 119.600 -0.170 0.000 2.296 285 M HA -0.102 4.379 4.480 0.001 0.000 0.265 285 M C 1.643 177.861 176.300 -0.138 0.000 1.064 285 M CA 1.764 57.022 55.300 -0.070 0.000 1.109 285 M CB -0.068 32.560 32.600 0.046 0.000 1.396 285 M HN 0.397 nan 8.290 nan 0.000 0.430 286 V N -3.184 116.588 119.914 -0.237 0.000 3.633 286 V HA 0.171 4.292 4.120 0.001 0.000 0.283 286 V C 0.360 176.342 176.094 -0.188 0.000 1.305 286 V CA 0.009 62.187 62.300 -0.204 0.000 1.153 286 V CB -0.842 30.796 31.823 -0.308 0.000 0.950 286 V HN 0.472 nan 8.190 nan 0.000 0.432 287 K N 0.582 120.832 120.400 -0.250 0.000 3.117 287 K HA -0.168 4.153 4.320 0.001 0.000 0.269 287 K C 0.391 176.751 176.600 -0.401 0.000 1.098 287 K CA 1.054 57.113 56.287 -0.381 0.000 0.785 287 K CB -2.232 30.056 32.500 -0.352 0.000 1.242 287 K HN 0.813 nan 8.250 nan 0.000 0.491 288 S N 0.496 115.982 115.700 -0.356 0.000 2.580 288 S HA 0.419 4.890 4.470 0.001 0.000 0.274 288 S C -2.296 172.151 174.600 -0.256 0.000 1.329 288 S CA -1.551 56.454 58.200 -0.323 0.000 1.036 288 S CB 0.719 63.647 63.200 -0.453 0.000 0.919 288 S HN -0.011 nan 8.310 nan 0.000 0.515 289 P HA 0.040 nan 4.420 nan 0.000 0.261 289 P C -1.067 176.248 177.300 0.025 0.000 1.173 289 P CA 0.514 63.561 63.100 -0.088 0.000 0.760 289 P CB 0.093 31.787 31.700 -0.011 0.000 0.783 290 L N 5.248 126.488 121.223 0.027 0.000 2.287 290 L HA 0.415 4.755 4.340 0.001 0.000 0.280 290 L C 0.246 177.298 176.870 0.304 0.000 1.055 290 L CA -0.152 54.800 54.840 0.186 0.000 0.863 290 L CB -0.079 42.061 42.059 0.135 0.000 1.245 290 L HN 0.252 nan 8.230 nan 0.000 0.432 291 I N 3.775 124.527 120.570 0.303 0.000 2.389 291 I HA 0.327 4.498 4.170 0.001 0.000 0.288 291 I C 0.194 176.476 176.117 0.274 0.000 0.999 291 I CA -0.586 60.871 61.300 0.262 0.000 1.129 291 I CB 2.162 40.244 38.000 0.136 0.000 1.288 291 I HN 0.407 nan 8.210 nan 0.000 0.444 292 I N 5.567 126.275 120.570 0.230 0.000 2.587 292 I HA 0.037 4.207 4.170 0.001 0.000 0.284 292 I C 1.429 177.609 176.117 0.104 0.000 1.134 292 I CA 0.539 61.901 61.300 0.104 0.000 1.410 292 I CB 0.697 38.591 38.000 -0.177 0.000 1.392 292 I HN 0.804 nan 8.210 nan 0.000 0.545 293 G N 4.959 113.855 108.800 0.160 0.000 2.921 293 G HA2 0.335 4.296 3.960 0.001 0.000 0.213 293 G HA3 0.335 4.296 3.960 0.001 0.000 0.213 293 G C 0.681 175.637 174.900 0.094 0.000 1.143 293 G CA 0.192 45.328 45.100 0.060 0.000 0.764 293 G HN 0.709 nan 8.290 nan 0.000 0.542 294 A N 0.629 123.570 122.820 0.201 0.000 2.386 294 A HA 0.434 4.755 4.320 0.001 0.000 0.248 294 A C 0.280 178.016 177.584 0.254 0.000 1.082 294 A CA -0.434 51.711 52.037 0.179 0.000 0.789 294 A CB 0.240 19.382 19.000 0.238 0.000 1.025 294 A HN 0.191 nan 8.150 nan 0.000 0.490 295 N N 1.448 120.212 118.700 0.107 0.000 2.399 295 N HA 0.102 4.842 4.740 0.001 0.000 0.259 295 N C 1.044 176.639 175.510 0.142 0.000 1.160 295 N CA 0.313 53.467 53.050 0.174 0.000 0.946 295 N CB 0.771 39.240 38.487 -0.030 0.000 1.156 295 N HN 0.606 nan 8.380 nan 0.000 0.489 296 V N 1.594 121.571 119.914 0.105 0.000 2.759 296 V HA -0.083 4.038 4.120 0.001 0.000 0.256 296 V C 1.015 177.076 176.094 -0.057 0.000 1.080 296 V CA 1.531 63.800 62.300 -0.052 0.000 1.101 296 V CB -0.773 30.912 31.823 -0.229 0.000 0.698 296 V HN 0.542 nan 8.190 nan 0.000 0.477 297 N N 1.042 119.742 118.700 0.000 0.000 2.467 297 N HA 0.030 4.770 4.740 0.001 0.000 0.184 297 N C 1.025 176.537 175.510 0.004 0.000 1.106 297 N CA 0.728 53.772 53.050 -0.011 0.000 0.892 297 N CB -0.057 38.439 38.487 0.015 0.000 0.969 297 N HN 0.498 nan 8.380 nan 0.000 0.454 298 N N 0.436 119.148 118.700 0.020 0.000 2.466 298 N HA 0.102 4.843 4.740 0.001 0.000 0.272 298 N C -1.444 174.068 175.510 0.003 0.000 1.455 298 N CA -0.306 52.748 53.050 0.007 0.000 0.875 298 N CB 0.176 38.673 38.487 0.017 0.000 1.372 298 N HN 0.028 nan 8.380 nan 0.000 0.492 299 L N 2.103 123.325 121.223 -0.001 0.000 2.331 299 L HA 0.367 4.708 4.340 0.001 0.000 0.278 299 L C 0.503 177.380 176.870 0.013 0.000 1.106 299 L CA -0.288 54.568 54.840 0.026 0.000 0.824 299 L CB 0.449 42.533 42.059 0.041 0.000 1.142 299 L HN 0.141 nan 8.230 nan 0.000 0.443 300 K N 4.106 124.526 120.400 0.032 0.000 2.107 300 K HA 0.569 4.890 4.320 0.001 0.000 0.251 300 K C 0.779 177.415 176.600 0.060 0.000 1.012 300 K CA -0.061 56.239 56.287 0.022 0.000 0.920 300 K CB 0.655 33.159 32.500 0.005 0.000 1.033 300 K HN 0.588 nan 8.250 nan 0.000 0.478 301 A N 1.677 124.527 122.820 0.049 0.000 1.851 301 A HA -0.249 4.071 4.320 0.001 0.000 0.216 301 A C 2.353 180.002 177.584 0.108 0.000 1.195 301 A CA 2.497 54.592 52.037 0.097 0.000 0.622 301 A CB -1.457 17.579 19.000 0.060 0.000 0.831 301 A HN 0.955 nan 8.150 nan 0.000 0.444 302 S N -0.175 115.545 115.700 0.034 0.000 2.374 302 S HA -0.184 4.286 4.470 0.001 0.000 0.227 302 S C 2.019 176.592 174.600 -0.045 0.000 1.037 302 S CA 1.901 60.090 58.200 -0.018 0.000 1.024 302 S CB -0.847 62.318 63.200 -0.059 0.000 0.861 302 S HN 0.480 nan 8.310 nan 0.000 0.456 303 S N 0.719 116.407 115.700 -0.019 0.000 2.383 303 S HA -0.012 4.458 4.470 0.001 0.000 0.227 303 S C 1.552 176.170 174.600 0.031 0.000 1.026 303 S CA 1.058 59.224 58.200 -0.057 0.000 0.981 303 S CB -0.637 62.568 63.200 0.008 0.000 0.818 303 S HN 0.669 nan 8.310 nan 0.000 0.472 304 Y N 3.268 123.584 120.300 0.027 0.000 2.181 304 Y HA -0.203 4.348 4.550 0.001 0.000 0.288 304 Y C 2.624 178.553 175.900 0.049 0.000 1.146 304 Y CA 1.477 59.622 58.100 0.076 0.000 1.164 304 Y CB -0.780 37.704 38.460 0.040 0.000 0.982 304 Y HN 0.354 nan 8.280 nan 0.000 0.515 305 S N -0.372 115.273 115.700 -0.093 0.000 2.402 305 S HA -0.178 4.293 4.470 0.001 0.000 0.229 305 S C 2.037 176.581 174.600 -0.093 0.000 1.021 305 S CA 1.393 59.507 58.200 -0.143 0.000 0.974 305 S CB -1.008 62.191 63.200 -0.002 0.000 0.800 305 S HN 0.522 nan 8.310 nan 0.000 0.484 306 I N 0.353 120.842 120.570 -0.135 0.000 2.142 306 I HA -0.158 4.012 4.170 0.001 0.000 0.240 306 I C 2.320 178.070 176.117 -0.612 0.000 1.078 306 I CA 1.582 62.758 61.300 -0.207 0.000 1.343 306 I CB -0.476 37.299 38.000 -0.375 0.000 1.046 306 I HN 0.233 nan 8.210 nan 0.000 0.405 307 Y N 0.517 120.471 120.300 -0.578 0.000 2.384 307 Y HA -0.238 4.312 4.550 0.001 0.000 0.289 307 Y C 2.554 178.332 175.900 -0.203 0.000 1.152 307 Y CA 1.187 58.964 58.100 -0.538 0.000 1.258 307 Y CB -0.137 38.114 38.460 -0.350 0.000 0.979 307 Y HN 0.278 nan 8.280 nan 0.000 0.549 308 S N -1.209 114.432 115.700 -0.099 0.000 2.557 308 S HA 0.070 4.541 4.470 0.001 0.000 0.223 308 S C 0.419 175.032 174.600 0.022 0.000 0.969 308 S CA -0.523 57.651 58.200 -0.044 0.000 0.927 308 S CB 0.029 63.040 63.200 -0.314 0.000 0.806 308 S HN 0.172 nan 8.310 nan 0.000 0.489 309 Q N 2.016 121.829 119.800 0.022 0.000 2.431 309 Q HA 0.609 4.949 4.340 0.001 0.000 0.234 309 Q C 1.105 177.099 176.000 -0.010 0.000 1.203 309 Q CA 0.199 55.994 55.803 -0.014 0.000 0.902 309 Q CB 0.298 28.929 28.738 -0.179 0.000 1.455 309 Q HN 0.456 nan 8.270 nan 0.000 0.515 310 A N 2.685 125.511 122.820 0.009 0.000 1.940 310 A HA -0.213 4.108 4.320 0.001 0.000 0.219 310 A C 2.148 179.631 177.584 -0.169 0.000 1.176 310 A CA 1.879 53.910 52.037 -0.011 0.000 0.631 310 A CB -0.588 18.402 19.000 -0.016 0.000 0.814 310 A HN 0.701 nan 8.150 nan 0.000 0.446 311 S N -0.895 114.692 115.700 -0.189 0.000 2.365 311 S HA -0.154 4.317 4.470 0.001 0.000 0.225 311 S C 1.880 176.298 174.600 -0.303 0.000 1.039 311 S CA 1.826 59.874 58.200 -0.254 0.000 1.033 311 S CB -0.373 62.699 63.200 -0.212 0.000 0.887 311 S HN 0.355 nan 8.310 nan 0.000 0.447 312 V N 1.585 121.325 119.914 -0.291 0.000 2.407 312 V HA -0.023 4.097 4.120 0.001 0.000 0.245 312 V C 2.105 178.024 176.094 -0.292 0.000 1.041 312 V CA 1.341 63.493 62.300 -0.247 0.000 1.040 312 V CB -0.567 31.085 31.823 -0.285 0.000 0.671 312 V HN 0.473 nan 8.190 nan 0.000 0.455 313 I N 1.014 121.421 120.570 -0.271 0.000 2.264 313 I HA -0.279 3.891 4.170 0.001 0.000 0.248 313 I C 2.692 178.384 176.117 -0.708 0.000 1.111 313 I CA 1.551 62.594 61.300 -0.428 0.000 1.382 313 I CB -0.621 37.174 38.000 -0.341 0.000 1.060 313 I HN 0.300 nan 8.210 nan 0.000 0.418 314 A N 1.196 123.582 122.820 -0.724 0.000 1.940 314 A HA -0.190 4.130 4.320 0.001 0.000 0.219 314 A C 2.250 179.564 177.584 -0.450 0.000 1.176 314 A CA 1.443 53.081 52.037 -0.665 0.000 0.631 314 A CB -0.577 18.137 19.000 -0.475 0.000 0.814 314 A HN 0.324 nan 8.150 nan 0.000 0.446 315 I N 0.603 120.947 120.570 -0.376 0.000 2.142 315 I HA -0.243 3.928 4.170 0.001 0.000 0.240 315 I C 2.402 178.351 176.117 -0.281 0.000 1.078 315 I CA 1.726 62.858 61.300 -0.280 0.000 1.343 315 I CB -1.606 36.271 38.000 -0.206 0.000 1.046 315 I HN 0.534 nan 8.210 nan 0.000 0.405 316 N N 0.910 119.406 118.700 -0.340 0.000 2.166 316 N HA -0.204 4.537 4.740 0.001 0.000 0.186 316 N C 1.334 176.609 175.510 -0.392 0.000 1.019 316 N CA 1.114 53.939 53.050 -0.374 0.000 0.856 316 N CB 0.185 38.429 38.487 -0.405 0.000 0.993 316 N HN 0.388 nan 8.380 nan 0.000 0.426 317 Q N 1.138 120.695 119.800 -0.404 0.000 2.247 317 Q HA 0.056 4.397 4.340 0.001 0.000 0.205 317 Q C -0.717 175.168 176.000 -0.192 0.000 0.896 317 Q CA -0.114 55.499 55.803 -0.318 0.000 0.950 317 Q CB -0.531 27.970 28.738 -0.396 0.000 1.054 317 Q HN 0.333 nan 8.270 nan 0.000 0.482 318 D N 1.523 121.809 120.400 -0.191 0.000 2.533 318 D HA -0.052 4.589 4.640 0.001 0.000 0.236 318 D C -0.144 176.146 176.300 -0.015 0.000 1.137 318 D CA 0.290 54.232 54.000 -0.097 0.000 0.867 318 D CB 0.753 41.498 40.800 -0.091 0.000 1.170 318 D HN 0.075 nan 8.370 nan 0.000 0.474 319 S N 3.594 119.309 115.700 0.025 0.000 2.576 319 S HA 0.129 4.600 4.470 0.001 0.000 0.276 319 S C 0.253 174.906 174.600 0.090 0.000 1.339 319 S CA -0.877 57.365 58.200 0.071 0.000 1.039 319 S CB 0.636 63.877 63.200 0.068 0.000 0.902 319 S HN 0.610 nan 8.310 nan 0.000 0.516 320 N N 0.363 119.138 118.700 0.124 0.000 2.705 320 N HA -0.120 4.621 4.740 0.001 0.000 0.255 320 N C 0.347 175.953 175.510 0.160 0.000 1.008 320 N CA 1.073 54.201 53.050 0.130 0.000 0.742 320 N CB -1.707 36.833 38.487 0.088 0.000 0.906 320 N HN 1.053 nan 8.380 nan 0.000 0.541 321 G N 0.016 108.969 108.800 0.255 0.000 2.380 321 G HA2 0.395 4.356 3.960 0.001 0.000 0.242 321 G HA3 0.395 4.356 3.960 0.001 0.000 0.242 321 G C 0.348 175.426 174.900 0.296 0.000 1.298 321 G CA -0.219 45.034 45.100 0.256 0.000 0.878 321 G HN 0.419 nan 8.290 nan 0.000 0.542 322 I N 3.914 124.591 120.570 0.178 0.000 2.447 322 I HA 0.247 4.417 4.170 0.001 0.000 0.287 322 I C -2.198 173.998 176.117 0.131 0.000 1.023 322 I CA -2.192 59.205 61.300 0.162 0.000 1.083 322 I CB 2.825 40.895 38.000 0.116 0.000 1.245 322 I HN 0.280 nan 8.210 nan 0.000 0.434 323 P HA 0.091 nan 4.420 nan 0.000 0.267 323 P C -0.340 177.025 177.300 0.108 0.000 1.200 323 P CA -0.159 62.997 63.100 0.093 0.000 0.772 323 P CB 0.601 32.357 31.700 0.092 0.000 0.855 324 A N 2.721 125.614 122.820 0.121 0.000 2.346 324 A HA 0.417 4.737 4.320 0.001 0.000 0.252 324 A C 0.205 177.929 177.584 0.235 0.000 1.089 324 A CA 0.318 52.474 52.037 0.198 0.000 0.797 324 A CB -0.243 18.897 19.000 0.234 0.000 1.047 324 A HN 0.494 nan 8.150 nan 0.000 0.494 325 T N 1.475 116.077 114.554 0.080 0.000 2.823 325 T HA 0.379 4.730 4.350 0.001 0.000 0.279 325 T C 0.184 174.530 174.700 -0.590 0.000 0.998 325 T CA -0.499 61.433 62.100 -0.280 0.000 0.994 325 T CB 0.768 69.306 68.868 -0.551 0.000 0.960 325 T HN 0.595 nan 8.240 nan 0.000 0.448 326 R N 3.313 123.124 120.500 -1.148 0.000 2.296 326 R HA 0.240 4.581 4.340 0.001 0.000 0.323 326 R C 0.589 176.303 176.300 -0.976 0.000 1.067 326 R CA -0.059 55.058 56.100 -1.637 0.000 0.946 326 R CB 0.246 29.346 30.300 -2.001 0.000 0.991 326 R HN 0.486 nan 8.270 nan 0.000 0.448 327 V N 5.907 125.316 119.914 -0.843 0.000 2.379 327 V HA 0.020 4.141 4.120 0.001 0.000 0.243 327 V C 0.667 176.555 176.094 -0.344 0.000 1.035 327 V CA 1.126 63.076 62.300 -0.583 0.000 1.035 327 V CB -0.255 31.310 31.823 -0.431 0.000 0.673 327 V HN 0.759 nan 8.190 nan 0.000 0.457 328 W N -1.009 120.059 121.300 -0.387 0.000 3.075 328 W HA 0.742 5.402 4.660 0.001 0.000 0.334 328 W C -1.060 175.155 176.519 -0.507 0.000 1.243 328 W CA -0.907 56.176 57.345 -0.437 0.000 1.170 328 W CB 1.870 31.128 29.460 -0.336 0.000 1.452 328 W HN -0.193 nan 8.180 nan 0.000 0.572 329 R N 2.129 122.471 120.500 -0.264 0.000 2.508 329 R HA 0.366 4.707 4.340 0.001 0.000 0.283 329 R C -2.408 173.545 176.300 -0.578 0.000 1.120 329 R CA -0.432 55.497 56.100 -0.285 0.000 0.958 329 R CB 1.486 31.592 30.300 -0.323 0.000 1.215 329 R HN 0.694 nan 8.270 nan 0.000 0.427 330 Y N 2.897 123.207 120.300 0.016 0.000 2.462 330 Y HA 0.431 4.982 4.550 0.001 0.000 0.346 330 Y C -0.423 175.378 175.900 -0.164 0.000 0.976 330 Y CA -0.931 57.123 58.100 -0.076 0.000 1.044 330 Y CB 1.931 40.369 38.460 -0.038 0.000 1.230 330 Y HN 0.367 nan 8.280 nan 0.000 0.455 331 Y N 1.791 122.221 120.300 0.216 0.000 2.299 331 Y HA 0.481 5.032 4.550 0.001 0.000 0.326 331 Y C 0.341 176.321 175.900 0.133 0.000 1.164 331 Y CA -0.779 57.408 58.100 0.146 0.000 1.234 331 Y CB 1.042 39.562 38.460 0.100 0.000 1.219 331 Y HN 0.376 nan 8.280 nan 0.000 0.497 332 V N -0.882 119.192 119.914 0.266 0.000 2.919 332 V HA 0.448 4.569 4.120 0.001 0.000 0.316 332 V C 0.489 176.669 176.094 0.145 0.000 1.077 332 V CA -0.449 61.954 62.300 0.172 0.000 0.977 332 V CB 1.654 33.564 31.823 0.145 0.000 1.039 332 V HN 0.830 nan 8.190 nan 0.000 0.441 333 S N -0.306 115.453 115.700 0.099 0.000 2.489 333 S HA -0.009 4.462 4.470 0.001 0.000 0.228 333 S C 0.460 175.103 174.600 0.072 0.000 0.995 333 S CA 0.480 58.725 58.200 0.075 0.000 0.934 333 S CB -0.580 62.650 63.200 0.050 0.000 0.771 333 S HN 0.843 nan 8.310 nan 0.000 0.522 334 D N 4.021 124.470 120.400 0.082 0.000 2.441 334 D HA 0.136 4.777 4.640 0.001 0.000 0.243 334 D C 0.242 176.606 176.300 0.106 0.000 1.257 334 D CA 0.405 54.453 54.000 0.081 0.000 1.027 334 D CB 0.352 41.201 40.800 0.082 0.000 1.084 334 D HN 0.549 nan 8.370 nan 0.000 0.514 335 T N -0.992 113.616 114.554 0.090 0.000 2.929 335 T HA 0.389 4.740 4.350 0.001 0.000 0.284 335 T C 0.222 174.974 174.700 0.086 0.000 1.014 335 T CA -1.082 61.083 62.100 0.108 0.000 1.051 335 T CB 2.217 71.139 68.868 0.090 0.000 1.028 335 T HN 0.127 nan 8.240 nan 0.000 0.485 336 D N 0.436 120.906 120.400 0.117 0.000 2.469 336 D HA 0.084 4.725 4.640 0.001 0.000 0.278 336 D C 1.381 177.648 176.300 -0.054 0.000 1.231 336 D CA -0.719 53.311 54.000 0.050 0.000 1.075 336 D CB 0.198 41.087 40.800 0.148 0.000 1.121 336 D HN 0.776 nan 8.370 nan 0.000 0.571 337 E N -1.048 119.012 120.200 -0.234 0.000 2.401 337 E HA -0.225 4.125 4.350 0.001 0.000 0.199 337 E C 0.609 176.993 176.600 -0.361 0.000 1.023 337 E CA 1.015 57.192 56.400 -0.372 0.000 0.859 337 E CB -0.599 28.750 29.700 -0.584 0.000 0.780 337 E HN 0.636 nan 8.360 nan 0.000 0.523 338 Y N -0.207 120.122 120.300 0.047 0.000 2.584 338 Y HA 0.363 4.913 4.550 0.001 0.000 0.254 338 Y C 1.491 177.414 175.900 0.037 0.000 1.177 338 Y CA -0.291 57.832 58.100 0.038 0.000 1.216 338 Y CB 1.346 39.831 38.460 0.043 0.000 1.172 338 Y HN 0.174 nan 8.280 nan 0.000 0.529 339 G N 0.250 109.130 108.800 0.134 0.000 2.155 339 G HA2 -0.242 3.719 3.960 0.001 0.000 0.257 339 G HA3 -0.242 3.719 3.960 0.001 0.000 0.257 339 G C -0.076 174.894 174.900 0.116 0.000 0.983 339 G CA -0.170 44.989 45.100 0.098 0.000 0.676 339 G HN 0.232 nan 8.290 nan 0.000 0.528 340 Q N -0.060 119.839 119.800 0.165 0.000 2.241 340 Q HA 0.638 4.979 4.340 0.001 0.000 0.254 340 Q C 0.329 176.444 176.000 0.192 0.000 0.917 340 Q CA 0.342 56.250 55.803 0.175 0.000 0.919 340 Q CB 1.776 30.622 28.738 0.180 0.000 1.237 340 Q HN 1.174 nan 8.270 nan 0.000 0.434 341 G N 1.903 110.831 108.800 0.214 0.000 2.020 341 G HA2 0.399 4.360 3.960 0.001 0.000 0.304 341 G HA3 0.399 4.360 3.960 0.001 0.000 0.304 341 G C -1.209 173.842 174.900 0.252 0.000 1.500 341 G CA -0.697 44.531 45.100 0.213 0.000 1.120 341 G HN 0.542 nan 8.290 nan 0.000 0.555 342 E N 1.682 121.986 120.200 0.173 0.000 2.383 342 E HA 0.747 5.098 4.350 0.001 0.000 0.275 342 E C -0.704 175.961 176.600 0.109 0.000 0.918 342 E CA -1.277 55.172 56.400 0.081 0.000 0.764 342 E CB 2.590 32.212 29.700 -0.130 0.000 1.252 342 E HN 0.659 nan 8.360 nan 0.000 0.449 343 I N -1.286 119.377 120.570 0.154 0.000 2.530 343 I HA 0.540 4.711 4.170 0.001 0.000 0.297 343 I C -0.759 175.535 176.117 0.295 0.000 1.011 343 I CA -0.868 60.592 61.300 0.268 0.000 1.107 343 I CB 1.832 40.062 38.000 0.384 0.000 1.285 343 I HN 0.480 nan 8.210 nan 0.000 0.436 344 Q N 5.051 124.939 119.800 0.146 0.000 2.389 344 Q HA 0.591 4.932 4.340 0.001 0.000 0.277 344 Q C -1.364 174.329 176.000 -0.512 0.000 1.082 344 Q CA -0.898 54.824 55.803 -0.135 0.000 0.810 344 Q CB 3.419 32.206 28.738 0.081 0.000 1.374 344 Q HN 0.663 nan 8.270 nan 0.000 0.422 345 M N 1.834 120.748 119.600 -1.143 0.000 2.321 345 M HA 0.485 4.965 4.480 0.001 0.000 0.315 345 M C -2.120 173.826 176.300 -0.590 0.000 1.052 345 M CA -0.395 54.323 55.300 -0.969 0.000 0.936 345 M CB 1.240 32.799 32.600 -1.735 0.000 1.639 345 M HN 0.684 nan 8.290 nan 0.000 0.433 346 W N 1.967 123.038 121.300 -0.383 0.000 2.819 346 W HA 0.623 5.284 4.660 0.001 0.000 0.337 346 W C -0.415 176.001 176.519 -0.172 0.000 1.077 346 W CA -0.379 56.808 57.345 -0.264 0.000 1.226 346 W CB 1.940 31.303 29.460 -0.163 0.000 1.419 346 W HN 0.530 nan 8.180 nan 0.000 0.502 347 S N 1.079 116.823 115.700 0.074 0.000 2.549 347 S HA 0.915 5.386 4.470 0.001 0.000 0.280 347 S C -0.727 174.010 174.600 0.229 0.000 1.109 347 S CA -0.529 57.743 58.200 0.120 0.000 0.905 347 S CB 1.287 64.585 63.200 0.163 0.000 1.081 347 S HN 0.816 nan 8.310 nan 0.000 0.477 348 G N 3.152 112.031 108.800 0.131 0.000 2.759 348 G HA2 0.597 4.557 3.960 0.001 0.000 0.297 348 G HA3 0.597 4.557 3.960 0.001 0.000 0.297 348 G C -3.464 171.470 174.900 0.057 0.000 1.434 348 G CA -1.112 44.070 45.100 0.136 0.000 0.980 348 G HN 0.491 nan 8.290 nan 0.000 0.531 349 P HA 0.389 nan 4.420 nan 0.000 0.275 349 P C -0.491 176.842 177.300 0.055 0.000 1.227 349 P CA -0.235 62.903 63.100 0.063 0.000 0.781 349 P CB 1.719 33.459 31.700 0.067 0.000 0.906 350 L N 1.868 123.129 121.223 0.062 0.000 2.330 350 L HA 0.280 4.620 4.340 0.001 0.000 0.271 350 L C 1.780 178.687 176.870 0.062 0.000 1.013 350 L CA -0.486 54.380 54.840 0.042 0.000 0.816 350 L CB 1.262 43.334 42.059 0.023 0.000 1.287 350 L HN 0.280 nan 8.230 nan 0.000 0.435 351 D N 0.992 121.420 120.400 0.047 0.000 2.133 351 D HA -0.226 4.415 4.640 0.001 0.000 0.195 351 D C 1.466 177.805 176.300 0.065 0.000 0.997 351 D CA 1.763 55.796 54.000 0.055 0.000 0.840 351 D CB 0.223 41.051 40.800 0.048 0.000 0.947 351 D HN 0.658 nan 8.370 nan 0.000 0.452 352 N N -0.740 118.004 118.700 0.073 0.000 2.449 352 N HA 0.056 4.796 4.740 0.001 0.000 0.191 352 N C 1.296 176.864 175.510 0.097 0.000 1.161 352 N CA 1.066 54.166 53.050 0.084 0.000 0.863 352 N CB 0.309 38.859 38.487 0.106 0.000 0.980 352 N HN 0.312 nan 8.380 nan 0.000 0.458 353 G N -0.413 108.457 108.800 0.117 0.000 2.176 353 G HA2 -0.231 3.730 3.960 0.001 0.000 0.232 353 G HA3 -0.231 3.730 3.960 0.001 0.000 0.232 353 G C -0.407 174.658 174.900 0.275 0.000 0.986 353 G CA 0.131 45.327 45.100 0.160 0.000 0.643 353 G HN 0.458 nan 8.290 nan 0.000 0.522 354 D N -0.030 120.514 120.400 0.241 0.000 2.414 354 D HA 0.583 5.224 4.640 0.001 0.000 0.251 354 D C 0.518 176.952 176.300 0.223 0.000 1.252 354 D CA 0.361 54.541 54.000 0.301 0.000 0.999 354 D CB 0.644 41.572 40.800 0.212 0.000 1.093 354 D HN 0.327 nan 8.370 nan 0.000 0.515 355 Q N -0.038 119.856 119.800 0.157 0.000 2.285 355 Q HA 0.435 4.776 4.340 0.001 0.000 0.269 355 Q C -1.693 174.265 176.000 -0.069 0.000 1.030 355 Q CA -0.706 55.096 55.803 -0.000 0.000 0.788 355 Q CB 1.733 30.369 28.738 -0.170 0.000 1.266 355 Q HN 0.186 nan 8.270 nan 0.000 0.438 356 V N 2.750 122.603 119.914 -0.101 0.000 2.583 356 V HA 0.660 4.781 4.120 0.001 0.000 0.287 356 V C -0.223 175.789 176.094 -0.137 0.000 1.051 356 V CA -0.643 61.548 62.300 -0.182 0.000 1.010 356 V CB 1.191 32.887 31.823 -0.211 0.000 0.988 356 V HN 0.584 nan 8.190 nan 0.000 0.478 357 V N 2.962 122.789 119.914 -0.145 0.000 2.638 357 V HA 0.833 4.954 4.120 0.001 0.000 0.306 357 V C 0.033 176.138 176.094 0.018 0.000 1.052 357 V CA -0.414 61.870 62.300 -0.027 0.000 0.885 357 V CB 1.867 33.714 31.823 0.041 0.000 0.999 357 V HN 1.148 nan 8.190 nan 0.000 0.424 358 A N 5.498 128.393 122.820 0.124 0.000 2.335 358 A HA 0.879 5.200 4.320 0.001 0.000 0.304 358 A C -1.090 176.551 177.584 0.096 0.000 1.118 358 A CA -0.454 51.704 52.037 0.201 0.000 0.757 358 A CB 0.954 20.118 19.000 0.273 0.000 1.188 358 A HN 0.799 nan 8.150 nan 0.000 0.460 359 L N 3.103 124.366 121.223 0.067 0.000 2.277 359 L HA 0.418 4.758 4.340 0.001 0.000 0.284 359 L C -0.803 176.114 176.870 0.078 0.000 1.028 359 L CA -0.595 54.285 54.840 0.067 0.000 0.835 359 L CB 1.331 43.470 42.059 0.132 0.000 1.215 359 L HN 0.647 nan 8.230 nan 0.000 0.425 360 L N 4.607 125.879 121.223 0.082 0.000 2.276 360 L HA 0.422 4.763 4.340 0.001 0.000 0.286 360 L C -0.248 176.707 176.870 0.142 0.000 1.024 360 L CA -0.105 54.797 54.840 0.103 0.000 0.826 360 L CB 1.078 43.200 42.059 0.105 0.000 1.211 360 L HN 0.405 nan 8.230 nan 0.000 0.422 361 N N 3.187 121.971 118.700 0.140 0.000 2.558 361 N HA 0.336 5.076 4.740 0.001 0.000 0.233 361 N C 0.824 176.439 175.510 0.176 0.000 1.038 361 N CA 0.124 53.269 53.050 0.158 0.000 0.934 361 N CB 1.295 39.863 38.487 0.134 0.000 1.175 361 N HN 0.734 nan 8.380 nan 0.000 0.512 362 G N 1.268 110.176 108.800 0.180 0.000 3.088 362 G HA2 0.135 4.095 3.960 0.001 0.000 0.212 362 G HA3 0.135 4.095 3.960 0.001 0.000 0.212 362 G C 0.694 175.691 174.900 0.162 0.000 1.173 362 G CA -0.115 45.080 45.100 0.159 0.000 0.779 362 G HN 0.576 nan 8.290 nan 0.000 0.540 363 G N 0.017 108.940 108.800 0.205 0.000 2.634 363 G HA2 0.340 4.301 3.960 0.001 0.000 0.255 363 G HA3 0.340 4.301 3.960 0.001 0.000 0.255 363 G C 1.206 176.274 174.900 0.281 0.000 1.205 363 G CA 0.510 45.739 45.100 0.214 0.000 0.884 363 G HN 0.383 nan 8.290 nan 0.000 0.549 364 S N -1.546 114.274 115.700 0.200 0.000 2.562 364 S HA 0.187 4.657 4.470 0.001 0.000 0.221 364 S C 0.561 175.186 174.600 0.042 0.000 0.975 364 S CA 0.027 58.300 58.200 0.120 0.000 0.918 364 S CB 0.084 63.327 63.200 0.072 0.000 0.772 364 S HN 0.326 nan 8.310 nan 0.000 0.531 365 V N 1.314 121.267 119.914 0.065 0.000 2.823 365 V HA 0.535 4.655 4.120 0.001 0.000 0.312 365 V C 0.265 176.386 176.094 0.045 0.000 1.072 365 V CA -1.019 61.301 62.300 0.034 0.000 0.937 365 V CB 1.777 33.619 31.823 0.031 0.000 1.013 365 V HN 0.334 nan 8.190 nan 0.000 0.430 366 S N 3.637 119.352 115.700 0.024 0.000 2.552 366 S HA 0.330 4.801 4.470 0.001 0.000 0.289 366 S C -0.071 174.555 174.600 0.044 0.000 1.304 366 S CA -0.090 58.128 58.200 0.030 0.000 1.063 366 S CB -0.079 63.129 63.200 0.013 0.000 0.848 366 S HN 0.892 nan 8.310 nan 0.000 0.499 367 R N 3.877 124.412 120.500 0.059 0.000 2.707 367 R HA 0.569 4.910 4.340 0.001 0.000 0.272 367 R C -3.342 173.003 176.300 0.076 0.000 1.011 367 R CA -2.102 54.037 56.100 0.066 0.000 0.893 367 R CB 1.250 31.597 30.300 0.079 0.000 1.233 367 R HN 0.345 nan 8.270 nan 0.000 0.464 368 P HA 0.146 nan 4.420 nan 0.000 0.271 368 P C -0.833 176.530 177.300 0.106 0.000 1.220 368 P CA 0.018 63.167 63.100 0.082 0.000 0.768 368 P CB 0.828 32.564 31.700 0.061 0.000 0.848 369 M N 3.156 122.841 119.600 0.141 0.000 2.464 369 M HA 0.382 4.862 4.480 0.001 0.000 0.308 369 M C 0.148 176.570 176.300 0.203 0.000 1.127 369 M CA -0.580 54.838 55.300 0.197 0.000 0.913 369 M CB 2.706 35.453 32.600 0.245 0.000 1.689 369 M HN 0.377 nan 8.290 nan 0.000 0.445 370 N N 0.514 119.350 118.700 0.228 0.000 2.416 370 N HA 0.655 5.395 4.740 0.001 0.000 0.276 370 N C -1.683 173.990 175.510 0.272 0.000 1.261 370 N CA -0.396 52.773 53.050 0.200 0.000 0.790 370 N CB 2.954 41.510 38.487 0.116 0.000 1.554 370 N HN 0.633 nan 8.380 nan 0.000 0.481 371 T N -0.833 113.855 114.554 0.224 0.000 2.769 371 T HA 0.565 4.916 4.350 0.001 0.000 0.306 371 T C -1.113 173.677 174.700 0.150 0.000 1.400 371 T CA -0.281 61.963 62.100 0.240 0.000 1.007 371 T CB 1.255 70.289 68.868 0.277 0.000 1.392 371 T HN 0.870 nan 8.240 nan 0.000 0.500 372 T N 0.335 114.971 114.554 0.137 0.000 2.905 372 T HA 0.592 4.943 4.350 0.001 0.000 0.283 372 T C 1.457 176.207 174.700 0.083 0.000 1.031 372 T CA -0.907 61.255 62.100 0.102 0.000 1.002 372 T CB 0.778 69.705 68.868 0.099 0.000 1.200 372 T HN 0.445 nan 8.240 nan 0.000 0.560 373 L N 0.165 121.447 121.223 0.099 0.000 2.141 373 L HA -0.005 4.336 4.340 0.001 0.000 0.209 373 L C 2.943 179.912 176.870 0.164 0.000 1.094 373 L CA 1.318 56.238 54.840 0.134 0.000 0.763 373 L CB -0.531 41.649 42.059 0.202 0.000 0.908 373 L HN 0.798 nan 8.230 nan 0.000 0.437 374 E N 0.054 120.336 120.200 0.137 0.000 2.085 374 E HA -0.246 4.104 4.350 0.001 0.000 0.194 374 E C 2.020 178.704 176.600 0.139 0.000 0.994 374 E CA 1.315 57.795 56.400 0.134 0.000 0.801 374 E CB -0.013 29.753 29.700 0.110 0.000 0.743 374 E HN 0.545 nan 8.360 nan 0.000 0.453 375 E N 0.350 120.633 120.200 0.138 0.000 2.107 375 E HA -0.115 4.236 4.350 0.001 0.000 0.191 375 E C 2.153 178.825 176.600 0.120 0.000 0.982 375 E CA 0.543 57.050 56.400 0.177 0.000 0.809 375 E CB 0.028 29.881 29.700 0.255 0.000 0.756 375 E HN 0.256 nan 8.360 nan 0.000 0.459 376 I N 0.176 120.725 120.570 -0.034 0.000 2.202 376 I HA -0.201 3.970 4.170 0.001 0.000 0.242 376 I C 0.649 176.473 176.117 -0.490 0.000 1.091 376 I CA 0.958 62.071 61.300 -0.312 0.000 1.368 376 I CB 0.082 37.717 38.000 -0.608 0.000 1.058 376 I HN -0.040 nan 8.210 nan 0.000 0.410 377 F N 1.456 121.325 119.950 -0.136 0.000 2.509 377 F HA 0.151 4.678 4.527 0.001 0.000 0.344 377 F C 1.082 176.739 175.800 -0.238 0.000 1.197 377 F CA -0.707 57.114 58.000 -0.298 0.000 1.294 377 F CB -0.317 38.522 39.000 -0.268 0.000 1.643 377 F HN -0.005 nan 8.300 nan 0.000 0.596 378 F N -1.619 118.353 119.950 0.037 0.000 2.293 378 F HA -0.061 4.467 4.527 0.001 0.000 0.300 378 F C 1.032 176.858 175.800 0.043 0.000 1.086 378 F CA 0.771 58.787 58.000 0.026 0.000 1.375 378 F CB -0.464 38.521 39.000 -0.025 0.000 1.045 378 F HN 0.069 nan 8.300 nan 0.000 0.516 379 D N 0.134 120.423 120.400 -0.184 0.000 2.463 379 D HA 0.160 4.800 4.640 0.001 0.000 0.224 379 D C -0.208 176.067 176.300 -0.041 0.000 1.174 379 D CA 0.163 54.142 54.000 -0.035 0.000 0.829 379 D CB 0.391 41.166 40.800 -0.043 0.000 0.993 379 D HN 0.112 nan 8.370 nan 0.000 0.497 380 S N 0.928 116.615 115.700 -0.022 0.000 2.451 380 S HA 0.309 4.779 4.470 0.001 0.000 0.301 380 S C 0.324 174.940 174.600 0.026 0.000 1.116 380 S CA -0.881 57.319 58.200 -0.002 0.000 1.093 380 S CB 1.483 64.681 63.200 -0.004 0.000 1.017 380 S HN 0.097 nan 8.310 nan 0.000 0.482 381 N N 1.831 120.542 118.700 0.018 0.000 2.444 381 N HA 0.220 4.960 4.740 0.001 0.000 0.255 381 N C -0.155 175.372 175.510 0.028 0.000 1.255 381 N CA -0.265 52.800 53.050 0.026 0.000 0.933 381 N CB 0.366 38.865 38.487 0.019 0.000 1.143 381 N HN 0.490 nan 8.380 nan 0.000 0.453 382 L N 0.503 121.745 121.223 0.033 0.000 2.525 382 L HA 0.047 4.387 4.340 0.001 0.000 0.278 382 L C 1.671 178.556 176.870 0.024 0.000 1.218 382 L CA 0.471 55.331 54.840 0.033 0.000 0.878 382 L CB -0.071 42.008 42.059 0.033 0.000 1.127 382 L HN 0.883 nan 8.230 nan 0.000 0.492 383 G N 1.464 110.279 108.800 0.025 0.000 2.184 383 G HA2 -0.317 3.643 3.960 0.001 0.000 0.264 383 G HA3 -0.317 3.643 3.960 0.001 0.000 0.264 383 G C 0.372 175.278 174.900 0.010 0.000 0.975 383 G CA 0.388 45.499 45.100 0.018 0.000 0.642 383 G HN 0.812 nan 8.290 nan 0.000 0.536 384 S N -0.403 115.301 115.700 0.007 0.000 2.600 384 S HA 0.518 4.988 4.470 0.001 0.000 0.265 384 S C 1.424 176.017 174.600 -0.011 0.000 1.325 384 S CA 0.483 58.680 58.200 -0.006 0.000 1.002 384 S CB 1.483 64.675 63.200 -0.013 0.000 0.921 384 S HN 0.392 nan 8.310 nan 0.000 0.554 385 K N 1.264 121.650 120.400 -0.023 0.000 2.020 385 K HA -0.184 4.136 4.320 0.001 0.000 0.212 385 K C 2.186 178.776 176.600 -0.015 0.000 1.050 385 K CA 1.982 58.251 56.287 -0.030 0.000 0.929 385 K CB -0.362 32.111 32.500 -0.045 0.000 0.714 385 K HN 0.603 nan 8.250 nan 0.000 0.443 386 K N 0.688 121.059 120.400 -0.047 0.000 2.152 386 K HA -0.107 4.214 4.320 0.001 0.000 0.206 386 K C 2.017 178.600 176.600 -0.027 0.000 1.048 386 K CA 1.086 57.315 56.287 -0.097 0.000 0.933 386 K CB -0.067 32.083 32.500 -0.583 0.000 0.721 386 K HN 0.144 nan 8.250 nan 0.000 0.447 387 L N 0.135 121.353 121.223 -0.008 0.000 2.418 387 L HA -0.041 4.300 4.340 0.001 0.000 0.218 387 L C 1.472 178.405 176.870 0.105 0.000 1.125 387 L CA 0.834 55.720 54.840 0.077 0.000 0.835 387 L CB -0.074 42.023 42.059 0.063 0.000 0.953 387 L HN 0.186 nan 8.230 nan 0.000 0.454 388 T N -1.977 112.623 114.554 0.076 0.000 3.014 388 T HA 0.106 4.457 4.350 0.001 0.000 0.250 388 T C 1.017 175.747 174.700 0.050 0.000 1.060 388 T CA -0.043 62.090 62.100 0.055 0.000 1.040 388 T CB 0.359 69.240 68.868 0.022 0.000 0.971 388 T HN 0.074 nan 8.240 nan 0.000 0.497 389 S N 1.616 117.352 115.700 0.060 0.000 2.645 389 S HA 0.450 4.921 4.470 0.001 0.000 0.266 389 S C 0.288 174.911 174.600 0.039 0.000 1.258 389 S CA -0.506 57.669 58.200 -0.041 0.000 0.990 389 S CB 0.904 63.959 63.200 -0.242 0.000 0.967 389 S HN 0.185 nan 8.310 nan 0.000 0.556 390 T N 1.503 116.003 114.554 -0.089 0.000 2.867 390 T HA 0.440 4.791 4.350 0.001 0.000 0.282 390 T C -1.182 173.448 174.700 -0.118 0.000 1.000 390 T CA -0.243 61.870 62.100 0.023 0.000 1.042 390 T CB 0.330 69.204 68.868 0.009 0.000 0.973 390 T HN 0.515 nan 8.240 nan 0.000 0.465 391 W N 1.487 122.822 121.300 0.058 0.000 2.702 391 W HA 0.418 5.078 4.660 0.001 0.000 0.331 391 W C -0.432 176.130 176.519 0.072 0.000 1.049 391 W CA -0.846 56.553 57.345 0.089 0.000 1.230 391 W CB 0.925 30.483 29.460 0.164 0.000 1.408 391 W HN 0.460 nan 8.180 nan 0.000 0.492 392 D N 2.712 123.280 120.400 0.279 0.000 2.304 392 D HA 0.321 4.961 4.640 0.001 0.000 0.250 392 D C -0.222 176.231 176.300 0.255 0.000 1.107 392 D CA -0.007 54.110 54.000 0.195 0.000 0.885 392 D CB 1.212 42.132 40.800 0.199 0.000 1.192 392 D HN 0.164 nan 8.370 nan 0.000 0.436 393 I N 2.531 123.133 120.570 0.053 0.000 2.321 393 I HA 0.178 4.349 4.170 0.001 0.000 0.291 393 I C -0.662 175.424 176.117 -0.052 0.000 0.998 393 I CA -0.718 60.586 61.300 0.006 0.000 1.227 393 I CB 0.607 38.479 38.000 -0.213 0.000 1.368 393 I HN 0.141 nan 8.210 nan 0.000 0.466 394 Y N 3.783 124.126 120.300 0.071 0.000 2.328 394 Y HA 0.236 4.787 4.550 0.001 0.000 0.336 394 Y C 0.149 176.187 175.900 0.230 0.000 0.960 394 Y CA -0.963 57.217 58.100 0.132 0.000 1.134 394 Y CB 1.107 39.661 38.460 0.157 0.000 1.166 394 Y HN 0.451 nan 8.280 nan 0.000 0.464 395 D N 3.996 124.610 120.400 0.356 0.000 2.344 395 D HA 0.073 4.714 4.640 0.001 0.000 0.253 395 D C 0.681 177.148 176.300 0.278 0.000 1.255 395 D CA 0.375 54.622 54.000 0.411 0.000 0.894 395 D CB 0.911 41.926 40.800 0.359 0.000 1.067 395 D HN 0.682 nan 8.370 nan 0.000 0.492 396 L N 2.864 124.194 121.223 0.178 0.000 2.362 396 L HA -0.026 4.314 4.340 0.001 0.000 0.219 396 L C 1.355 178.168 176.870 -0.095 0.000 1.134 396 L CA 0.528 55.360 54.840 -0.014 0.000 0.807 396 L CB -0.042 41.904 42.059 -0.187 0.000 0.927 396 L HN 0.528 nan 8.230 nan 0.000 0.447 397 W N -0.304 121.092 121.300 0.161 0.000 3.278 397 W HA 0.307 4.968 4.660 0.001 0.000 0.308 397 W C 1.298 177.876 176.519 0.099 0.000 1.253 397 W CA -0.496 56.921 57.345 0.121 0.000 1.759 397 W CB 0.213 29.730 29.460 0.095 0.000 1.093 397 W HN -0.071 nan 8.180 nan 0.000 0.648 398 A N 1.098 124.090 122.820 0.287 0.000 2.386 398 A HA 0.177 4.498 4.320 0.001 0.000 0.248 398 A C 0.867 178.556 177.584 0.175 0.000 1.082 398 A CA -0.027 52.138 52.037 0.213 0.000 0.789 398 A CB 0.010 19.119 19.000 0.181 0.000 1.025 398 A HN 0.417 nan 8.150 nan 0.000 0.490 399 N N -1.113 117.675 118.700 0.147 0.000 2.747 399 N HA -0.175 4.565 4.740 0.001 0.000 0.249 399 N C -0.058 175.528 175.510 0.127 0.000 1.107 399 N CA 1.540 54.664 53.050 0.123 0.000 0.707 399 N CB -1.243 37.312 38.487 0.114 0.000 1.054 399 N HN 0.963 nan 8.380 nan 0.000 0.555 400 R N -1.004 119.590 120.500 0.158 0.000 2.490 400 R HA 0.482 4.823 4.340 0.001 0.000 0.280 400 R C 0.071 176.438 176.300 0.112 0.000 1.077 400 R CA -0.581 55.617 56.100 0.164 0.000 1.065 400 R CB 0.736 31.197 30.300 0.268 0.000 1.003 400 R HN -0.094 nan 8.270 nan 0.000 0.470 401 V N 4.415 124.381 119.914 0.087 0.000 2.539 401 V HA -0.106 4.015 4.120 0.001 0.000 0.300 401 V C 0.194 176.333 176.094 0.075 0.000 1.019 401 V CA 0.548 62.893 62.300 0.074 0.000 1.160 401 V CB -0.717 31.140 31.823 0.057 0.000 0.901 401 V HN 1.013 nan 8.190 nan 0.000 0.481 402 D N 4.301 124.743 120.400 0.071 0.000 2.371 402 D HA 0.055 4.695 4.640 0.001 0.000 0.242 402 D C 0.890 177.226 176.300 0.059 0.000 1.218 402 D CA -0.553 53.481 54.000 0.057 0.000 0.945 402 D CB 0.377 41.206 40.800 0.049 0.000 1.137 402 D HN 0.277 nan 8.370 nan 0.000 0.464 403 N N -0.227 118.497 118.700 0.041 0.000 2.289 403 N HA -0.116 4.624 4.740 0.001 0.000 0.184 403 N C 1.424 176.958 175.510 0.040 0.000 1.016 403 N CA 0.706 53.779 53.050 0.038 0.000 0.872 403 N CB -0.211 38.286 38.487 0.016 0.000 0.973 403 N HN 0.358 nan 8.380 nan 0.000 0.433 404 S N -0.349 115.373 115.700 0.037 0.000 2.362 404 S HA -0.023 4.447 4.470 0.001 0.000 0.221 404 S C 1.956 176.581 174.600 0.042 0.000 1.032 404 S CA 1.132 59.351 58.200 0.032 0.000 0.973 404 S CB -0.277 62.939 63.200 0.026 0.000 0.849 404 S HN 0.396 nan 8.310 nan 0.000 0.465 405 T N 2.656 117.245 114.554 0.057 0.000 2.737 405 T HA -0.014 4.337 4.350 0.001 0.000 0.265 405 T C 2.182 176.942 174.700 0.099 0.000 1.038 405 T CA 1.223 63.366 62.100 0.071 0.000 1.144 405 T CB -0.597 68.319 68.868 0.079 0.000 0.866 405 T HN 0.424 nan 8.240 nan 0.000 0.434 406 A N 1.612 124.516 122.820 0.140 0.000 1.883 406 A HA -0.148 4.173 4.320 0.001 0.000 0.217 406 A C 2.637 180.269 177.584 0.079 0.000 1.186 406 A CA 2.155 54.329 52.037 0.228 0.000 0.624 406 A CB -1.103 18.082 19.000 0.309 0.000 0.822 406 A HN 0.430 nan 8.150 nan 0.000 0.444 407 S N -0.294 115.433 115.700 0.045 0.000 2.359 407 S HA -0.123 4.347 4.470 0.001 0.000 0.224 407 S C 2.329 176.916 174.600 -0.022 0.000 1.035 407 S CA 1.410 59.608 58.200 -0.003 0.000 1.018 407 S CB -0.565 62.637 63.200 0.004 0.000 0.876 407 S HN 0.843 nan 8.310 nan 0.000 0.448 408 A N 1.357 124.177 122.820 -0.000 0.000 1.883 408 A HA -0.099 4.222 4.320 0.001 0.000 0.217 408 A C 2.084 179.653 177.584 -0.024 0.000 1.186 408 A CA 1.498 53.531 52.037 -0.006 0.000 0.624 408 A CB -0.782 18.225 19.000 0.012 0.000 0.822 408 A HN 0.509 nan 8.150 nan 0.000 0.444 409 I N -0.492 120.067 120.570 -0.019 0.000 2.179 409 I HA -0.252 3.919 4.170 0.001 0.000 0.242 409 I C 2.352 178.375 176.117 -0.157 0.000 1.088 409 I CA 1.138 62.407 61.300 -0.050 0.000 1.357 409 I CB -0.388 37.629 38.000 0.028 0.000 1.051 409 I HN 0.261 nan 8.210 nan 0.000 0.409 410 L N 0.462 121.542 121.223 -0.238 0.000 2.093 410 L HA -0.095 4.246 4.340 0.001 0.000 0.208 410 L C 2.328 179.110 176.870 -0.148 0.000 1.085 410 L CA 1.339 56.017 54.840 -0.271 0.000 0.755 410 L CB -0.839 41.050 42.059 -0.282 0.000 0.904 410 L HN 0.322 nan 8.230 nan 0.000 0.435 411 G N -1.160 107.582 108.800 -0.098 0.000 3.124 411 G HA2 0.005 3.966 3.960 0.001 0.000 0.212 411 G HA3 0.005 3.966 3.960 0.001 0.000 0.212 411 G C 0.921 175.789 174.900 -0.054 0.000 1.181 411 G CA -0.169 44.892 45.100 -0.064 0.000 0.803 411 G HN 0.367 nan 8.290 nan 0.000 0.529 412 R N -1.381 119.081 120.500 -0.063 0.000 3.977 412 R HA -0.214 4.127 4.340 0.001 0.000 0.428 412 R C 1.481 177.763 176.300 -0.029 0.000 1.079 412 R CA 1.044 57.116 56.100 -0.047 0.000 1.269 412 R CB -1.537 28.737 30.300 -0.044 0.000 1.856 412 R HN 0.353 nan 8.270 nan 0.000 0.551 413 N N 0.737 119.423 118.700 -0.025 0.000 2.120 413 N HA -0.071 4.670 4.740 0.001 0.000 0.188 413 N C 0.501 176.007 175.510 -0.006 0.000 1.024 413 N CA 1.337 54.379 53.050 -0.013 0.000 0.852 413 N CB 0.103 38.584 38.487 -0.010 0.000 1.003 413 N HN 0.393 nan 8.380 nan 0.000 0.424 414 K N 0.226 120.624 120.400 -0.003 0.000 2.238 414 K HA 0.304 4.624 4.320 0.001 0.000 0.239 414 K C -0.219 176.386 176.600 0.009 0.000 0.987 414 K CA -0.537 55.755 56.287 0.008 0.000 0.857 414 K CB 1.763 34.276 32.500 0.022 0.000 1.154 414 K HN 0.024 nan 8.250 nan 0.000 0.439 415 T N -2.025 112.540 114.554 0.018 0.000 2.928 415 T HA 0.369 4.720 4.350 0.001 0.000 0.284 415 T C 0.965 175.693 174.700 0.046 0.000 1.008 415 T CA -0.770 61.344 62.100 0.022 0.000 1.057 415 T CB 1.709 70.585 68.868 0.014 0.000 1.018 415 T HN 0.566 nan 8.240 nan 0.000 0.493 416 A N 1.837 124.695 122.820 0.063 0.000 2.014 416 A HA 0.173 4.494 4.320 0.001 0.000 0.218 416 A C 1.405 179.027 177.584 0.064 0.000 1.163 416 A CA 0.384 52.480 52.037 0.098 0.000 0.652 416 A CB -1.082 18.002 19.000 0.140 0.000 0.808 416 A HN 0.879 nan 8.150 nan 0.000 0.449 417 T N 0.304 114.880 114.554 0.037 0.000 2.905 417 T HA 0.367 4.717 4.350 0.001 0.000 0.299 417 T C 1.456 176.167 174.700 0.017 0.000 1.024 417 T CA 1.067 63.176 62.100 0.015 0.000 1.151 417 T CB 0.489 69.358 68.868 0.001 0.000 0.987 417 T HN 1.387 nan 8.240 nan 0.000 0.535 418 G N 2.494 111.299 108.800 0.008 0.000 2.267 418 G HA2 -0.275 3.685 3.960 0.001 0.000 0.257 418 G HA3 -0.275 3.685 3.960 0.001 0.000 0.257 418 G C 0.804 175.724 174.900 0.034 0.000 0.998 418 G CA 0.447 45.555 45.100 0.014 0.000 0.620 418 G HN 0.687 nan 8.290 nan 0.000 0.529 419 I N 0.258 120.857 120.570 0.049 0.000 2.899 419 I HA 0.321 4.492 4.170 0.001 0.000 0.257 419 I C 1.218 177.385 176.117 0.082 0.000 1.115 419 I CA 0.168 61.509 61.300 0.068 0.000 1.451 419 I CB -0.037 38.010 38.000 0.080 0.000 1.251 419 I HN -0.001 nan 8.210 nan 0.000 0.456 420 L N 0.914 122.188 121.223 0.085 0.000 2.326 420 L HA 0.190 4.531 4.340 0.001 0.000 0.278 420 L C -0.318 176.621 176.870 0.115 0.000 1.092 420 L CA -0.561 54.343 54.840 0.107 0.000 0.810 420 L CB 0.466 42.588 42.059 0.105 0.000 1.153 420 L HN 0.128 nan 8.230 nan 0.000 0.439 421 Y N 3.523 123.843 120.300 0.033 0.000 2.712 421 Y HA -0.085 4.466 4.550 0.001 0.000 0.333 421 Y C 0.502 176.387 175.900 -0.026 0.000 1.225 421 Y CA 0.294 58.397 58.100 0.005 0.000 1.499 421 Y CB 0.352 38.825 38.460 0.022 0.000 1.288 421 Y HN 0.530 nan 8.280 nan 0.000 0.575 422 N N 4.888 123.262 118.700 -0.543 0.000 2.501 422 N HA 0.263 5.003 4.740 0.001 0.000 0.245 422 N C 0.010 175.185 175.510 -0.558 0.000 0.974 422 N CA 0.374 53.194 53.050 -0.384 0.000 0.941 422 N CB 1.334 39.652 38.487 -0.281 0.000 1.122 422 N HN 0.867 nan 8.380 nan 0.000 0.507 423 A N 2.694 125.350 122.820 -0.274 0.000 2.016 423 A HA -0.026 4.294 4.320 0.001 0.000 0.217 423 A C 1.761 179.229 177.584 -0.193 0.000 1.162 423 A CA 1.229 53.099 52.037 -0.277 0.000 0.662 423 A CB -0.311 18.488 19.000 -0.334 0.000 0.812 423 A HN 0.646 nan 8.150 nan 0.000 0.450 424 T N -0.347 114.116 114.554 -0.150 0.000 2.746 424 T HA -0.146 4.205 4.350 0.001 0.000 0.267 424 T C 1.803 176.428 174.700 -0.125 0.000 1.039 424 T CA 1.543 63.574 62.100 -0.115 0.000 1.142 424 T CB -0.151 68.653 68.868 -0.105 0.000 0.866 424 T HN 0.698 nan 8.240 nan 0.000 0.444 425 E N 0.612 120.710 120.200 -0.170 0.000 2.107 425 E HA -0.041 4.310 4.350 0.001 0.000 0.191 425 E C 1.044 177.548 176.600 -0.159 0.000 0.982 425 E CA 0.618 56.921 56.400 -0.163 0.000 0.809 425 E CB 0.288 29.869 29.700 -0.198 0.000 0.756 425 E HN 0.414 nan 8.360 nan 0.000 0.459 426 Q N 0.747 120.420 119.800 -0.211 0.000 2.406 426 Q HA 0.127 4.468 4.340 0.001 0.000 0.244 426 Q C -1.221 174.716 176.000 -0.105 0.000 0.884 426 Q CA -0.473 55.245 55.803 -0.142 0.000 0.813 426 Q CB 1.342 29.986 28.738 -0.156 0.000 1.368 426 Q HN 0.192 nan 8.270 nan 0.000 0.439 427 S N 2.480 118.148 115.700 -0.053 0.000 2.559 427 S HA -0.006 4.464 4.470 0.001 0.000 0.282 427 S C 0.722 175.320 174.600 -0.003 0.000 1.336 427 S CA 0.061 58.239 58.200 -0.038 0.000 1.037 427 S CB 0.300 63.515 63.200 0.025 0.000 0.853 427 S HN 0.652 nan 8.310 nan 0.000 0.523 428 Y N 1.594 121.947 120.300 0.089 0.000 2.165 428 Y HA -0.146 4.405 4.550 0.001 0.000 0.286 428 Y C 2.652 178.537 175.900 -0.025 0.000 1.155 428 Y CA 2.000 60.091 58.100 -0.014 0.000 1.164 428 Y CB -0.330 38.068 38.460 -0.104 0.000 0.978 428 Y HN 0.745 nan 8.280 nan 0.000 0.513 429 K N 0.471 120.956 120.400 0.141 0.000 2.032 429 K HA -0.243 4.078 4.320 0.001 0.000 0.209 429 K C 1.414 178.064 176.600 0.083 0.000 1.048 429 K CA 2.236 58.576 56.287 0.088 0.000 0.927 429 K CB -0.219 32.328 32.500 0.078 0.000 0.712 429 K HN 0.226 nan 8.250 nan 0.000 0.441 430 D N -0.480 119.968 120.400 0.080 0.000 2.092 430 D HA -0.138 4.502 4.640 0.001 0.000 0.193 430 D C 1.810 178.172 176.300 0.104 0.000 0.994 430 D CA 1.576 55.622 54.000 0.076 0.000 0.828 430 D CB -0.634 40.199 40.800 0.056 0.000 0.963 430 D HN 0.471 nan 8.370 nan 0.000 0.450 431 G N 0.323 109.204 108.800 0.135 0.000 2.442 431 G HA2 -0.226 3.735 3.960 0.001 0.000 0.219 431 G HA3 -0.226 3.735 3.960 0.001 0.000 0.219 431 G C 1.645 176.650 174.900 0.175 0.000 1.141 431 G CA 0.549 45.756 45.100 0.178 0.000 0.763 431 G HN 0.252 nan 8.290 nan 0.000 0.554 432 L N 0.743 122.041 121.223 0.124 0.000 2.056 432 L HA -0.049 4.292 4.340 0.001 0.000 0.207 432 L C 3.196 180.226 176.870 0.267 0.000 1.078 432 L CA 1.180 56.139 54.840 0.197 0.000 0.749 432 L CB -0.352 41.732 42.059 0.041 0.000 0.901 432 L HN 0.160 nan 8.230 nan 0.000 0.433 433 S N -0.101 115.690 115.700 0.152 0.000 2.368 433 S HA -0.165 4.305 4.470 0.001 0.000 0.225 433 S C 1.860 176.517 174.600 0.094 0.000 1.030 433 S CA 1.228 59.493 58.200 0.107 0.000 0.999 433 S CB -0.186 63.060 63.200 0.075 0.000 0.844 433 S HN 0.362 nan 8.310 nan 0.000 0.459 434 K N 0.926 121.391 120.400 0.108 0.000 2.432 434 K HA 0.087 4.408 4.320 0.001 0.000 0.196 434 K C 0.229 176.885 176.600 0.093 0.000 1.038 434 K CA 0.212 56.552 56.287 0.088 0.000 0.986 434 K CB -0.089 32.465 32.500 0.089 0.000 0.782 434 K HN 0.179 nan 8.250 nan 0.000 0.485 435 N N 2.154 120.950 118.700 0.160 0.000 2.815 435 N HA -0.130 4.611 4.740 0.001 0.000 0.248 435 N C -1.546 174.071 175.510 0.177 0.000 1.110 435 N CA 0.466 53.574 53.050 0.097 0.000 0.699 435 N CB -1.267 37.155 38.487 -0.108 0.000 1.040 435 N HN 0.153 nan 8.380 nan 0.000 0.555 436 D N 0.217 120.790 120.400 0.289 0.000 2.426 436 D HA 0.034 4.675 4.640 0.001 0.000 0.261 436 D C 1.397 177.890 176.300 0.322 0.000 1.245 436 D CA 0.457 54.607 54.000 0.251 0.000 0.917 436 D CB 0.515 41.467 40.800 0.254 0.000 1.123 436 D HN 0.203 nan 8.370 nan 0.000 0.508 437 T N 2.801 117.493 114.554 0.230 0.000 2.848 437 T HA -0.242 4.109 4.350 0.001 0.000 0.269 437 T C 1.782 176.613 174.700 0.218 0.000 1.081 437 T CA 1.165 63.408 62.100 0.239 0.000 1.125 437 T CB 0.035 69.005 68.868 0.171 0.000 0.848 437 T HN 0.397 nan 8.240 nan 0.000 0.503 438 R N 0.612 121.219 120.500 0.180 0.000 2.152 438 R HA 0.104 4.445 4.340 0.001 0.000 0.232 438 R C 1.957 178.264 176.300 0.011 0.000 1.117 438 R CA 0.920 57.096 56.100 0.127 0.000 0.981 438 R CB -0.343 30.076 30.300 0.199 0.000 0.870 438 R HN 0.380 nan 8.270 nan 0.000 0.451 439 L N -1.446 119.760 121.223 -0.029 0.000 2.664 439 L HA 0.210 4.551 4.340 0.001 0.000 0.233 439 L C 0.624 177.244 176.870 -0.416 0.000 1.113 439 L CA 0.086 54.755 54.840 -0.285 0.000 0.896 439 L CB 0.298 42.102 42.059 -0.424 0.000 1.163 439 L HN 0.113 nan 8.230 nan 0.000 0.497 440 F N -0.097 119.802 119.950 -0.084 0.000 2.706 440 F HA 0.387 4.915 4.527 0.001 0.000 0.308 440 F C 1.686 177.506 175.800 0.035 0.000 1.095 440 F CA 0.337 58.257 58.000 -0.132 0.000 1.244 440 F CB 0.420 39.249 39.000 -0.285 0.000 1.063 440 F HN 0.093 nan 8.300 nan 0.000 0.582 441 G N 0.850 109.778 108.800 0.213 0.000 2.562 441 G HA2 -0.307 3.653 3.960 0.001 0.000 0.250 441 G HA3 -0.307 3.653 3.960 0.001 0.000 0.250 441 G C -0.559 174.544 174.900 0.339 0.000 1.269 441 G CA -0.391 44.849 45.100 0.233 0.000 0.919 441 G HN 0.302 nan 8.290 nan 0.000 0.574 442 Q N -0.103 119.864 119.800 0.278 0.000 2.333 442 Q HA 0.590 4.930 4.340 0.001 0.000 0.267 442 Q C 0.063 176.055 176.000 -0.014 0.000 1.012 442 Q CA -0.542 55.361 55.803 0.167 0.000 0.824 442 Q CB 1.272 30.076 28.738 0.111 0.000 1.290 442 Q HN 0.695 nan 8.270 nan 0.000 0.449 443 K N 4.484 124.686 120.400 -0.331 0.000 2.412 443 K HA 0.080 4.401 4.320 0.001 0.000 0.284 443 K C 0.265 176.700 176.600 -0.275 0.000 1.046 443 K CA 0.235 56.110 56.287 -0.686 0.000 0.999 443 K CB 0.076 32.109 32.500 -0.778 0.000 0.941 443 K HN 0.832 nan 8.250 nan 0.000 0.474 444 I N 0.735 121.178 120.570 -0.212 0.000 4.082 444 I HA 0.417 4.588 4.170 0.001 0.000 0.337 444 I C 0.511 176.567 176.117 -0.102 0.000 1.352 444 I CA -0.375 60.866 61.300 -0.098 0.000 1.097 444 I CB 0.723 38.708 38.000 -0.025 0.000 1.048 444 I HN 0.753 nan 8.210 nan 0.000 0.393 445 G N 1.312 110.028 108.800 -0.140 0.000 2.350 445 G HA2 0.338 4.299 3.960 0.001 0.000 0.276 445 G HA3 0.338 4.299 3.960 0.001 0.000 0.276 445 G C -1.309 173.542 174.900 -0.082 0.000 1.313 445 G CA -0.052 44.991 45.100 -0.094 0.000 0.903 445 G HN 0.530 nan 8.290 nan 0.000 0.490 446 S N -1.305 114.374 115.700 -0.034 0.000 2.588 446 S HA 0.815 5.285 4.470 0.001 0.000 0.275 446 S C -1.163 173.464 174.600 0.045 0.000 1.130 446 S CA -0.805 57.407 58.200 0.020 0.000 0.855 446 S CB 2.160 65.376 63.200 0.027 0.000 1.116 446 S HN 1.197 nan 8.310 nan 0.000 0.472 447 L N 1.840 123.130 121.223 0.113 0.000 2.333 447 L HA 0.661 5.001 4.340 0.001 0.000 0.280 447 L C -0.687 176.290 176.870 0.178 0.000 1.004 447 L CA -0.277 54.638 54.840 0.125 0.000 0.820 447 L CB 1.986 44.121 42.059 0.127 0.000 1.247 447 L HN 0.899 nan 8.230 nan 0.000 0.416 448 S N 4.354 120.131 115.700 0.128 0.000 2.621 448 S HA 0.579 5.050 4.470 0.001 0.000 0.302 448 S C -2.514 172.160 174.600 0.124 0.000 1.093 448 S CA -1.190 57.086 58.200 0.126 0.000 1.017 448 S CB 2.025 65.271 63.200 0.077 0.000 1.077 448 S HN 0.434 nan 8.310 nan 0.000 0.517 449 P HA 0.110 nan 4.420 nan 0.000 0.265 449 P C 0.059 177.406 177.300 0.078 0.000 1.187 449 P CA 0.570 63.733 63.100 0.105 0.000 0.766 449 P CB 0.165 31.917 31.700 0.088 0.000 0.820 450 N N -2.101 116.642 118.700 0.073 0.000 2.929 450 N HA -0.217 4.524 4.740 0.001 0.000 0.234 450 N C 0.191 175.733 175.510 0.054 0.000 0.908 450 N CA 1.683 54.767 53.050 0.057 0.000 0.993 450 N CB -1.799 36.716 38.487 0.045 0.000 1.075 450 N HN 0.569 nan 8.380 nan 0.000 0.603 451 A N 0.860 123.717 122.820 0.063 0.000 2.264 451 A HA 0.746 5.067 4.320 0.001 0.000 0.304 451 A C 0.630 178.252 177.584 0.062 0.000 1.100 451 A CA -0.547 51.524 52.037 0.057 0.000 0.839 451 A CB 0.636 19.670 19.000 0.057 0.000 1.121 451 A HN 0.366 nan 8.150 nan 0.000 0.496 452 I N -0.589 120.014 120.570 0.055 0.000 2.404 452 I HA 0.647 4.818 4.170 0.001 0.000 0.293 452 I C -0.810 175.343 176.117 0.060 0.000 0.992 452 I CA -0.950 60.387 61.300 0.061 0.000 1.149 452 I CB 1.573 39.607 38.000 0.056 0.000 1.315 452 I HN 0.482 nan 8.210 nan 0.000 0.446 453 L N 7.336 128.600 121.223 0.070 0.000 2.278 453 L HA 0.476 4.817 4.340 0.001 0.000 0.287 453 L C -0.751 176.179 176.870 0.100 0.000 1.072 453 L CA 0.203 55.079 54.840 0.061 0.000 0.819 453 L CB 0.229 42.316 42.059 0.046 0.000 1.176 453 L HN 0.885 nan 8.230 nan 0.000 0.435 454 N N 2.469 121.223 118.700 0.089 0.000 2.238 454 N HA 0.702 5.443 4.740 0.001 0.000 0.302 454 N C -1.045 174.543 175.510 0.129 0.000 1.072 454 N CA -0.586 52.531 53.050 0.112 0.000 0.792 454 N CB 1.912 40.448 38.487 0.082 0.000 1.425 454 N HN 0.542 nan 8.380 nan 0.000 0.478 455 T N -1.101 113.548 114.554 0.159 0.000 2.778 455 T HA 0.516 4.866 4.350 0.001 0.000 0.293 455 T C -0.728 174.050 174.700 0.130 0.000 1.144 455 T CA -0.598 61.601 62.100 0.165 0.000 1.010 455 T CB 1.229 70.248 68.868 0.251 0.000 1.325 455 T HN 0.442 nan 8.240 nan 0.000 0.515 456 T N 1.690 116.311 114.554 0.112 0.000 2.771 456 T HA 0.617 4.968 4.350 0.001 0.000 0.281 456 T C -0.548 174.202 174.700 0.083 0.000 0.982 456 T CA -0.477 61.675 62.100 0.087 0.000 0.978 456 T CB 0.793 69.698 68.868 0.063 0.000 0.930 456 T HN 0.448 nan 8.240 nan 0.000 0.447 457 V N 6.775 126.737 119.914 0.080 0.000 2.448 457 V HA 0.398 4.519 4.120 0.001 0.000 0.295 457 V C -2.250 173.870 176.094 0.043 0.000 1.025 457 V CA -2.353 59.985 62.300 0.063 0.000 0.859 457 V CB 1.512 33.386 31.823 0.085 0.000 0.988 457 V HN 0.659 nan 8.190 nan 0.000 0.431 458 P HA 0.217 nan 4.420 nan 0.000 0.272 458 P C -0.310 176.994 177.300 0.007 0.000 1.240 458 P CA -0.195 62.898 63.100 -0.010 0.000 0.791 458 P CB 0.496 32.163 31.700 -0.054 0.000 0.978 459 A N 1.663 124.484 122.820 0.002 0.000 2.548 459 A HA -0.026 4.295 4.320 0.001 0.000 0.247 459 A C 0.493 178.115 177.584 0.064 0.000 1.067 459 A CA 0.411 52.475 52.037 0.044 0.000 0.757 459 A CB -1.369 17.610 19.000 -0.034 0.000 0.996 459 A HN 0.830 nan 8.150 nan 0.000 0.504 460 H N -0.133 118.885 119.070 -0.086 0.000 2.861 460 H HA -0.217 4.340 4.556 0.001 0.000 0.289 460 H C 0.863 175.961 175.328 -0.382 0.000 1.176 460 H CA 0.381 56.263 56.048 -0.277 0.000 1.146 460 H CB -1.326 28.139 29.762 -0.496 0.000 1.330 460 H HN 1.005 nan 8.280 nan 0.000 0.379 461 G N 0.017 108.775 108.800 -0.070 0.000 2.932 461 G HA2 0.712 4.672 3.960 0.001 0.000 0.283 461 G HA3 0.712 4.672 3.960 0.001 0.000 0.283 461 G C -0.848 174.028 174.900 -0.040 0.000 1.336 461 G CA -0.394 44.640 45.100 -0.110 0.000 1.056 461 G HN 0.175 nan 8.290 nan 0.000 0.522 462 I N -0.828 119.702 120.570 -0.067 0.000 2.802 462 I HA 0.653 4.823 4.170 0.001 0.000 0.298 462 I C -0.760 175.352 176.117 -0.007 0.000 1.176 462 I CA -1.183 60.106 61.300 -0.019 0.000 1.025 462 I CB 2.224 40.200 38.000 -0.039 0.000 1.243 462 I HN 0.669 nan 8.210 nan 0.000 0.424 463 A N 6.260 129.074 122.820 -0.011 0.000 2.287 463 A HA 0.676 4.997 4.320 0.001 0.000 0.317 463 A C -1.567 175.874 177.584 -0.238 0.000 1.220 463 A CA -0.256 51.686 52.037 -0.158 0.000 0.835 463 A CB 0.585 19.473 19.000 -0.188 0.000 1.180 463 A HN 0.506 nan 8.150 nan 0.000 0.500 464 F N 3.469 123.160 119.950 -0.432 0.000 2.434 464 F HA 0.613 5.141 4.527 0.001 0.000 0.355 464 F C -1.205 174.437 175.800 -0.263 0.000 1.115 464 F CA -1.244 56.606 58.000 -0.250 0.000 1.010 464 F CB 0.755 39.781 39.000 0.043 0.000 1.234 464 F HN 0.566 nan 8.300 nan 0.000 0.439 465 Y N 3.695 123.901 120.300 -0.157 0.000 2.509 465 Y HA 0.598 5.149 4.550 0.001 0.000 0.341 465 Y C -0.033 175.725 175.900 -0.236 0.000 1.038 465 Y CA -1.273 56.757 58.100 -0.116 0.000 1.089 465 Y CB 1.869 40.331 38.460 0.004 0.000 1.241 465 Y HN 0.404 nan 8.280 nan 0.000 0.468 466 R N 2.902 123.467 120.500 0.108 0.000 2.393 466 R HA 0.549 4.890 4.340 0.001 0.000 0.315 466 R C -1.920 174.514 176.300 0.223 0.000 0.952 466 R CA -0.424 55.713 56.100 0.061 0.000 0.842 466 R CB 0.680 30.978 30.300 -0.003 0.000 1.163 466 R HN 0.720 nan 8.270 nan 0.000 0.450 467 L N 5.278 126.623 121.223 0.204 0.000 2.295 467 L HA 0.576 4.917 4.340 0.001 0.000 0.285 467 L C 0.133 177.319 176.870 0.527 0.000 1.035 467 L CA -0.805 54.250 54.840 0.359 0.000 0.806 467 L CB 1.570 43.776 42.059 0.245 0.000 1.214 467 L HN 0.598 nan 8.230 nan 0.000 0.426 468 R N 2.925 123.754 120.500 0.548 0.000 2.740 468 R HA 0.509 4.850 4.340 0.001 0.000 0.282 468 R C -2.637 173.765 176.300 0.169 0.000 0.969 468 R CA -2.093 54.226 56.100 0.365 0.000 0.918 468 R CB 1.801 32.181 30.300 0.134 0.000 1.175 468 R HN 0.284 nan 8.270 nan 0.000 0.464 469 P HA 0.070 nan 4.420 nan 0.000 0.271 469 P C -0.386 176.707 177.300 -0.344 0.000 1.216 469 P CA 0.067 62.712 63.100 -0.758 0.000 0.776 469 P CB 0.846 32.091 31.700 -0.758 0.000 0.881 470 S N 0.000 115.504 115.700 -0.327 0.000 2.498 470 S HA 0.000 4.471 4.470 0.001 0.000 0.327 470 S CA 0.000 58.101 58.200 -0.165 0.000 1.107 470 S CB 0.000 63.126 63.200 -0.123 0.000 0.593 470 S HN 0.000 nan 8.310 nan 0.000 0.517