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 1aof_1_B DATA FIRST_RESID 26 DATA SEQUENCE EPSLDNLAQQ DVAAPGAPEG VTALSDAQYN EANKIYFERC AGCHGVLRKG DATA SEQUENCE ATGKALTPDL TRDLGFDYLQ SFITYASPAG MPNWGTSGEL SAEQVDLMAN DATA SEQUENCE YLLLDPAAPP EFGMKEMRES WKVHVAPEDR PTQQMNDWDL ENLFSVTLRD DATA SEQUENCE AGQIALIDGS TYEIKTVLDT GYAVHISRLS ASGRYLFVIG RDGKVNMIDL DATA SEQUENCE WMKEPTTVAE IKIGSEARSI ETSKMEGWED KYAIAGAYWP PQYVIMDGET DATA SEQUENCE LEPKKIQSTR GMTYDEQEYH PEPRVAAILA SHYRPEFIVN VKETGKILLV DATA SEQUENCE DYTDLNNLKT TEISAERFLH DGGLDGSHRY FITAANARNK LVVIDTKEGK DATA SEQUENCE LVAIEDTGGQ TPHPGRGANF VHPTFGPVWA TSHMGDDSVA LIGTDPEGHP DATA SEQUENCE DNAWKILDSF PALGGGSLFI KTHPNSQYLY VDATLNPEAE ISGSVAVFDI DATA SEQUENCE KAMTGDGSDP EFKTLPIAEW AGITEGQPRV VQGEFNKDGT EVWFSVWNGK DATA SEQUENCE DQESALVVVD DKTLELKHVI KDERLVTPTG KFNVYNTMTD TY 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 26 E HA 0.000 nan 4.350 nan 0.000 0.291 26 E C 0.000 176.655 176.600 0.092 0.000 1.382 26 E CA 0.000 56.419 56.400 0.031 0.000 0.976 26 E CB 0.000 29.705 29.700 0.008 0.000 0.812 27 P HA 0.189 nan 4.420 nan 0.000 0.269 27 P C -0.455 176.941 177.300 0.160 0.000 1.215 27 P CA -0.304 62.915 63.100 0.198 0.000 0.780 27 P CB 0.822 32.723 31.700 0.335 0.000 0.898 28 S N 1.087 116.891 115.700 0.173 0.000 2.474 28 S HA 0.375 4.845 4.470 -0.001 0.000 0.321 28 S C 0.104 174.798 174.600 0.156 0.000 1.080 28 S CA -0.825 57.463 58.200 0.146 0.000 1.106 28 S CB -0.242 63.050 63.200 0.152 0.000 0.984 28 S HN 0.355 nan 8.310 nan 0.000 0.464 29 L N 5.658 126.966 121.223 0.142 0.000 2.923 29 L HA 0.304 4.643 4.340 -0.001 0.000 0.231 29 L C 1.256 178.194 176.870 0.113 0.000 1.300 29 L CA -0.370 54.546 54.840 0.127 0.000 1.184 29 L CB -0.084 42.041 42.059 0.111 0.000 1.511 29 L HN 0.733 nan 8.230 nan 0.000 0.448 30 D N -0.555 119.930 120.400 0.141 0.000 2.263 30 D HA -0.248 4.391 4.640 -0.001 0.000 0.208 30 D C 1.324 177.718 176.300 0.156 0.000 0.971 30 D CA 0.809 54.904 54.000 0.160 0.000 0.867 30 D CB 0.118 41.029 40.800 0.185 0.000 0.929 30 D HN 0.533 nan 8.370 nan 0.000 0.492 31 N N 0.774 119.530 118.700 0.093 0.000 2.300 31 N HA -0.061 4.679 4.740 -0.001 0.000 0.179 31 N C 2.137 177.625 175.510 -0.036 0.000 1.016 31 N CA 0.093 53.136 53.050 -0.012 0.000 0.876 31 N CB 0.117 38.447 38.487 -0.263 0.000 0.979 31 N HN 0.220 nan 8.380 nan 0.000 0.432 32 L N 0.848 122.021 121.223 -0.084 0.000 2.109 32 L HA -0.042 4.298 4.340 -0.001 0.000 0.207 32 L C 2.535 179.359 176.870 -0.076 0.000 1.086 32 L CA 0.850 55.554 54.840 -0.226 0.000 0.760 32 L CB -0.352 41.365 42.059 -0.570 0.000 0.910 32 L HN 0.147 nan 8.230 nan 0.000 0.437 33 A N 0.308 123.190 122.820 0.103 0.000 1.940 33 A HA -0.275 4.044 4.320 -0.001 0.000 0.219 33 A C 1.989 179.671 177.584 0.163 0.000 1.176 33 A CA 1.817 54.000 52.037 0.244 0.000 0.631 33 A CB -0.622 18.491 19.000 0.188 0.000 0.814 33 A HN 0.697 nan 8.150 nan 0.000 0.446 34 Q N -0.228 119.642 119.800 0.116 0.000 2.491 34 Q HA 0.001 4.340 4.340 -0.001 0.000 0.214 34 Q C 0.755 176.812 176.000 0.096 0.000 0.970 34 Q CA 0.323 56.189 55.803 0.104 0.000 0.960 34 Q CB -0.338 28.467 28.738 0.113 0.000 0.996 34 Q HN 0.745 nan 8.270 nan 0.000 0.524 35 Q N 1.480 121.342 119.800 0.102 0.000 2.279 35 Q HA 0.107 4.446 4.340 -0.001 0.000 0.256 35 Q C -1.359 174.719 176.000 0.131 0.000 0.937 35 Q CA -0.431 55.433 55.803 0.102 0.000 0.933 35 Q CB 1.015 29.801 28.738 0.081 0.000 1.189 35 Q HN 0.153 nan 8.270 nan 0.000 0.417 36 D N 2.914 123.383 120.400 0.116 0.000 2.277 36 D HA 0.340 4.979 4.640 -0.001 0.000 0.249 36 D C -0.980 175.403 176.300 0.138 0.000 1.134 36 D CA -0.290 53.783 54.000 0.121 0.000 0.863 36 D CB 1.101 41.959 40.800 0.097 0.000 1.143 36 D HN 0.345 nan 8.370 nan 0.000 0.458 37 V N 0.875 120.896 119.914 0.178 0.000 2.914 37 V HA 0.907 5.026 4.120 -0.001 0.000 0.314 37 V C -0.164 176.038 176.094 0.180 0.000 1.084 37 V CA -1.258 61.156 62.300 0.191 0.000 0.963 37 V CB 1.431 33.415 31.823 0.268 0.000 1.025 37 V HN 0.620 nan 8.190 nan 0.000 0.432 38 A N 2.722 125.601 122.820 0.098 0.000 2.401 38 A HA 0.808 5.127 4.320 -0.001 0.000 0.259 38 A C 0.723 178.259 177.584 -0.079 0.000 1.103 38 A CA 0.097 52.154 52.037 0.033 0.000 0.789 38 A CB 0.282 19.285 19.000 0.004 0.000 1.035 38 A HN 2.250 nan 8.150 nan 0.000 0.491 39 A N 4.605 127.349 122.820 -0.125 0.000 2.488 39 A HA 0.533 4.853 4.320 -0.001 0.000 0.249 39 A C -1.597 175.750 177.584 -0.396 0.000 1.083 39 A CA -0.848 50.932 52.037 -0.429 0.000 0.768 39 A CB -0.501 18.397 19.000 -0.170 0.000 1.017 39 A HN 0.738 nan 8.150 nan 0.000 0.496 40 P HA 0.360 nan 4.420 nan 0.000 0.278 40 P C 0.396 177.561 177.300 -0.225 0.000 1.258 40 P CA -0.097 62.809 63.100 -0.323 0.000 0.811 40 P CB 0.877 32.370 31.700 -0.345 0.000 1.063 41 G N -0.135 108.578 108.800 -0.145 0.000 2.606 41 G HA2 0.453 4.413 3.960 -0.001 0.000 0.252 41 G HA3 0.453 4.413 3.960 -0.001 0.000 0.252 41 G C -0.545 174.298 174.900 -0.096 0.000 1.206 41 G CA -0.392 44.648 45.100 -0.101 0.000 0.861 41 G HN 0.666 nan 8.290 nan 0.000 0.561 42 A N 2.069 124.848 122.820 -0.069 0.000 2.274 42 A HA 0.747 5.066 4.320 -0.001 0.000 0.309 42 A C -1.245 176.311 177.584 -0.046 0.000 1.226 42 A CA -1.132 50.872 52.037 -0.056 0.000 0.853 42 A CB 0.787 19.763 19.000 -0.041 0.000 1.146 42 A HN 0.651 nan 8.150 nan 0.000 0.518 43 P HA 0.216 nan 4.420 nan 0.000 0.312 43 P C -0.246 177.037 177.300 -0.029 0.000 1.308 43 P CA -0.651 62.427 63.100 -0.037 0.000 0.743 43 P CB 0.376 32.053 31.700 -0.038 0.000 1.364 44 E N -0.837 119.349 120.200 -0.024 0.000 2.480 44 E HA 0.227 4.576 4.350 -0.001 0.000 0.258 44 E C 0.843 177.434 176.600 -0.016 0.000 0.984 44 E CA 0.771 57.159 56.400 -0.020 0.000 0.930 44 E CB -0.793 28.897 29.700 -0.017 0.000 0.936 44 E HN 0.750 nan 8.360 nan 0.000 0.466 45 G N 2.691 111.482 108.800 -0.015 0.000 2.155 45 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.257 45 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.257 45 G C -0.119 174.775 174.900 -0.010 0.000 0.983 45 G CA 0.263 45.357 45.100 -0.011 0.000 0.676 45 G HN 0.488 nan 8.290 nan 0.000 0.528 46 V N 0.474 120.378 119.914 -0.016 0.000 2.735 46 V HA 0.692 4.811 4.120 -0.001 0.000 0.310 46 V C 0.500 176.578 176.094 -0.027 0.000 1.061 46 V CA -0.316 61.976 62.300 -0.014 0.000 0.913 46 V CB 2.020 33.837 31.823 -0.010 0.000 1.005 46 V HN 0.291 nan 8.190 nan 0.000 0.428 47 T N 3.171 117.704 114.554 -0.035 0.000 2.889 47 T HA 0.649 4.998 4.350 -0.001 0.000 0.291 47 T C 0.237 174.926 174.700 -0.019 0.000 0.995 47 T CA -0.139 61.935 62.100 -0.044 0.000 1.092 47 T CB 1.510 70.327 68.868 -0.084 0.000 0.954 47 T HN 0.986 nan 8.240 nan 0.000 0.506 48 A N 3.026 125.835 122.820 -0.019 0.000 2.302 48 A HA 0.732 5.051 4.320 -0.001 0.000 0.285 48 A C -0.287 177.307 177.584 0.016 0.000 1.105 48 A CA -0.695 51.336 52.037 -0.010 0.000 0.816 48 A CB 0.250 19.236 19.000 -0.025 0.000 1.067 48 A HN 0.834 nan 8.150 nan 0.000 0.489 49 L N 1.493 122.743 121.223 0.044 0.000 2.334 49 L HA 0.437 4.776 4.340 -0.001 0.000 0.273 49 L C 0.905 177.817 176.870 0.071 0.000 1.013 49 L CA -0.663 54.230 54.840 0.089 0.000 0.816 49 L CB 2.061 44.236 42.059 0.194 0.000 1.278 49 L HN 0.933 nan 8.230 nan 0.000 0.431 50 S N -0.501 115.241 115.700 0.071 0.000 2.608 50 S HA 0.079 4.548 4.470 -0.001 0.000 0.261 50 S C 0.576 175.233 174.600 0.094 0.000 1.314 50 S CA -0.695 57.539 58.200 0.057 0.000 0.992 50 S CB 0.956 64.184 63.200 0.046 0.000 0.935 50 S HN 0.604 nan 8.310 nan 0.000 0.564 51 D N 1.252 121.697 120.400 0.074 0.000 2.149 51 D HA -0.106 4.534 4.640 -0.001 0.000 0.198 51 D C 2.172 178.551 176.300 0.131 0.000 0.990 51 D CA 1.790 55.852 54.000 0.104 0.000 0.839 51 D CB -0.753 40.088 40.800 0.068 0.000 0.948 51 D HN 0.700 nan 8.370 nan 0.000 0.460 52 A N 0.866 123.740 122.820 0.091 0.000 1.873 52 A HA -0.214 4.106 4.320 -0.001 0.000 0.215 52 A C 2.177 179.807 177.584 0.076 0.000 1.186 52 A CA 1.353 53.435 52.037 0.074 0.000 0.616 52 A CB -0.580 18.451 19.000 0.051 0.000 0.823 52 A HN 0.202 nan 8.150 nan 0.000 0.442 53 Q N -2.042 117.810 119.800 0.087 0.000 2.050 53 Q HA -0.192 4.148 4.340 -0.001 0.000 0.202 53 Q C 2.046 178.107 176.000 0.102 0.000 0.980 53 Q CA 1.797 57.648 55.803 0.080 0.000 0.840 53 Q CB -0.364 28.428 28.738 0.090 0.000 0.898 53 Q HN 0.795 nan 8.270 nan 0.000 0.424 54 Y N 1.829 122.164 120.300 0.058 0.000 2.145 54 Y HA -0.228 4.321 4.550 -0.001 0.000 0.286 54 Y C 1.939 177.893 175.900 0.090 0.000 1.145 54 Y CA 1.466 59.628 58.100 0.104 0.000 1.148 54 Y CB -0.135 38.379 38.460 0.090 0.000 0.981 54 Y HN 0.126 nan 8.280 nan 0.000 0.507 55 N N 0.339 119.109 118.700 0.117 0.000 2.166 55 N HA -0.208 4.531 4.740 -0.001 0.000 0.186 55 N C 1.893 177.369 175.510 -0.056 0.000 1.019 55 N CA 1.498 54.573 53.050 0.042 0.000 0.856 55 N CB -0.301 38.248 38.487 0.103 0.000 0.993 55 N HN 0.605 nan 8.380 nan 0.000 0.426 56 E N 0.882 121.050 120.200 -0.054 0.000 2.047 56 E HA -0.098 4.251 4.350 -0.001 0.000 0.191 56 E C 1.831 178.317 176.600 -0.190 0.000 0.987 56 E CA 0.997 57.348 56.400 -0.082 0.000 0.799 56 E CB 0.009 29.681 29.700 -0.047 0.000 0.752 56 E HN 0.281 nan 8.360 nan 0.000 0.449 57 A N 1.430 124.086 122.820 -0.272 0.000 1.969 57 A HA -0.207 4.113 4.320 -0.001 0.000 0.218 57 A C 2.032 179.099 177.584 -0.862 0.000 1.169 57 A CA 1.467 53.200 52.037 -0.507 0.000 0.635 57 A CB -0.769 17.959 19.000 -0.452 0.000 0.810 57 A HN 0.399 nan 8.150 nan 0.000 0.445 58 N N -0.103 118.170 118.700 -0.712 0.000 2.142 58 N HA -0.159 4.580 4.740 -0.001 0.000 0.186 58 N C 1.638 176.952 175.510 -0.328 0.000 1.023 58 N CA 1.476 54.169 53.050 -0.594 0.000 0.852 58 N CB -0.148 38.197 38.487 -0.236 0.000 0.998 58 N HN 0.517 nan 8.380 nan 0.000 0.424 59 K N 0.577 120.877 120.400 -0.167 0.000 2.057 59 K HA -0.077 4.243 4.320 -0.001 0.000 0.207 59 K C 2.222 178.758 176.600 -0.107 0.000 1.049 59 K CA 0.991 57.254 56.287 -0.041 0.000 0.931 59 K CB -0.074 32.418 32.500 -0.013 0.000 0.714 59 K HN 0.262 nan 8.250 nan 0.000 0.440 60 I N 0.156 120.595 120.570 -0.219 0.000 2.179 60 I HA -0.314 3.855 4.170 -0.001 0.000 0.242 60 I C 2.427 178.348 176.117 -0.327 0.000 1.088 60 I CA 1.276 62.420 61.300 -0.259 0.000 1.357 60 I CB -0.368 37.446 38.000 -0.309 0.000 1.051 60 I HN 0.112 nan 8.210 nan 0.000 0.409 61 Y N 1.366 121.329 120.300 -0.561 0.000 2.081 61 Y HA -0.324 4.226 4.550 -0.001 0.000 0.280 61 Y C 2.261 177.951 175.900 -0.350 0.000 1.163 61 Y CA 1.811 59.565 58.100 -0.576 0.000 1.135 61 Y CB -0.466 37.478 38.460 -0.860 0.000 0.970 61 Y HN -0.005 nan 8.280 nan 0.000 0.498 62 F N 0.476 120.335 119.950 -0.152 0.000 2.234 62 F HA -0.090 4.436 4.527 -0.001 0.000 0.299 62 F C 2.322 178.042 175.800 -0.133 0.000 1.087 62 F CA 1.466 59.384 58.000 -0.136 0.000 1.340 62 F CB -0.687 38.309 39.000 -0.007 0.000 1.031 62 F HN 0.173 nan 8.300 nan 0.000 0.500 63 E N -0.442 119.779 120.200 0.035 0.000 2.112 63 E HA -0.072 4.277 4.350 -0.001 0.000 0.190 63 E C 1.988 178.572 176.600 -0.027 0.000 0.979 63 E CA 0.774 57.190 56.400 0.025 0.000 0.814 63 E CB 0.058 29.769 29.700 0.017 0.000 0.762 63 E HN 0.380 nan 8.360 nan 0.000 0.460 64 R N -1.176 119.227 120.500 -0.162 0.000 2.342 64 R HA 0.163 4.502 4.340 -0.001 0.000 0.204 64 R C 1.898 178.066 176.300 -0.221 0.000 0.882 64 R CA 0.353 56.343 56.100 -0.184 0.000 1.041 64 R CB 0.505 30.534 30.300 -0.451 0.000 1.188 64 R HN 0.141 nan 8.270 nan 0.000 0.598 65 C N -0.490 118.558 119.300 -0.419 0.000 2.689 65 C HA 0.393 4.852 4.460 -0.001 0.000 0.336 65 C C 2.550 177.296 174.990 -0.407 0.000 1.304 65 C CA 0.019 58.804 59.018 -0.389 0.000 1.860 65 C CB 0.013 27.440 27.740 -0.523 0.000 2.405 65 C HN 0.462 nan 8.230 nan 0.000 0.557 66 A N 1.740 124.151 122.820 -0.681 0.000 2.076 66 A HA 0.105 4.424 4.320 -0.001 0.000 0.220 66 A C 2.263 179.839 177.584 -0.014 0.000 1.160 66 A CA 2.001 53.867 52.037 -0.284 0.000 0.653 66 A CB -1.108 17.913 19.000 0.036 0.000 0.801 66 A HN 0.589 nan 8.150 nan 0.000 0.455 67 G N -1.099 107.691 108.800 -0.018 0.000 2.418 67 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.217 67 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.217 67 G C 1.493 176.390 174.900 -0.005 0.000 1.158 67 G CA 1.429 46.542 45.100 0.023 0.000 0.771 67 G HN 0.540 nan 8.290 nan 0.000 0.545 68 C N -0.753 118.517 119.300 -0.050 0.000 2.527 68 C HA 0.261 4.720 4.460 -0.001 0.000 0.280 68 C C 2.158 177.022 174.990 -0.210 0.000 1.353 68 C CA 0.106 59.031 59.018 -0.155 0.000 1.749 68 C CB -0.648 26.939 27.740 -0.256 0.000 2.088 68 C HN 0.489 nan 8.230 nan 0.000 0.508 69 H N 0.424 119.532 119.070 0.062 0.000 2.575 69 H HA 0.288 4.844 4.556 -0.001 0.000 0.267 69 H C 1.329 176.759 175.328 0.170 0.000 0.966 69 H CA 1.167 57.288 56.048 0.122 0.000 1.165 69 H CB 0.106 29.969 29.762 0.169 0.000 1.433 69 H HN 0.537 nan 8.280 nan 0.000 0.544 70 G N 0.318 109.261 108.800 0.238 0.000 2.721 70 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.686 70 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.686 70 G C 0.788 175.884 174.900 0.326 0.000 1.236 70 G CA -0.168 45.078 45.100 0.243 0.000 0.786 70 G HN 0.092 nan 8.290 nan 0.000 0.616 71 V N 1.646 121.721 119.914 0.269 0.000 2.407 71 V HA -0.116 4.004 4.120 -0.001 0.000 0.248 71 V C 2.655 178.881 176.094 0.219 0.000 1.055 71 V CA 2.421 64.895 62.300 0.290 0.000 1.049 71 V CB -0.463 31.268 31.823 -0.152 0.000 0.662 71 V HN 0.554 nan 8.190 nan 0.000 0.455 72 L N -0.555 120.736 121.223 0.113 0.000 2.592 72 L HA 0.249 4.588 4.340 -0.001 0.000 0.227 72 L C 1.117 178.028 176.870 0.068 0.000 1.127 72 L CA 0.061 54.938 54.840 0.063 0.000 0.884 72 L CB -0.131 41.978 42.059 0.083 0.000 1.065 72 L HN 0.299 nan 8.230 nan 0.000 0.457 73 R N -1.180 119.407 120.500 0.145 0.000 3.878 73 R HA -0.213 4.127 4.340 -0.001 0.000 0.330 73 R C 0.886 177.241 176.300 0.093 0.000 1.186 73 R CA 0.480 56.655 56.100 0.126 0.000 0.885 73 R CB -1.642 28.633 30.300 -0.041 0.000 1.377 73 R HN 0.161 nan 8.270 nan 0.000 0.523 74 K N 0.958 121.411 120.400 0.089 0.000 2.459 74 K HA 0.128 4.447 4.320 -0.001 0.000 0.193 74 K C 0.875 177.507 176.600 0.053 0.000 1.030 74 K CA 1.109 57.414 56.287 0.030 0.000 1.026 74 K CB 0.482 32.956 32.500 -0.044 0.000 0.809 74 K HN 0.595 nan 8.250 nan 0.000 0.504 75 G N -1.366 107.518 108.800 0.140 0.000 2.719 75 G HA2 0.173 4.133 3.960 -0.001 0.000 0.686 75 G HA3 0.173 4.133 3.960 -0.001 0.000 0.686 75 G C -0.083 174.938 174.900 0.203 0.000 1.201 75 G CA -0.442 44.759 45.100 0.168 0.000 0.768 75 G HN 0.328 nan 8.290 nan 0.000 0.629 76 A N 0.260 123.191 122.820 0.185 0.000 1.681 76 A HA 0.750 5.070 4.320 -0.001 0.000 0.160 76 A C 1.937 179.625 177.584 0.174 0.000 1.621 76 A CA 1.526 53.716 52.037 0.255 0.000 1.937 76 A CB -0.528 18.588 19.000 0.193 0.000 1.902 76 A HN 1.515 nan 8.150 nan 0.000 1.132 77 T N 0.846 115.398 114.554 -0.002 0.000 2.894 77 T HA 0.294 4.644 4.350 -0.001 0.000 0.258 77 T C 1.135 175.762 174.700 -0.122 0.000 1.043 77 T CA 1.013 63.026 62.100 -0.144 0.000 1.141 77 T CB -0.425 68.331 68.868 -0.186 0.000 0.873 77 T HN 0.767 nan 8.240 nan 0.000 0.449 78 G N 1.033 109.704 108.800 -0.215 0.000 2.502 78 G HA2 0.491 4.451 3.960 -0.001 0.000 0.305 78 G HA3 0.491 4.451 3.960 -0.001 0.000 0.305 78 G C -0.378 174.534 174.900 0.019 0.000 1.190 78 G CA -0.706 44.230 45.100 -0.273 0.000 0.933 78 G HN 0.214 nan 8.290 nan 0.000 0.503 79 K N -0.428 120.075 120.400 0.171 0.000 2.234 79 K HA 0.363 4.682 4.320 -0.001 0.000 0.251 79 K C 0.622 177.369 176.600 0.246 0.000 1.011 79 K CA -0.011 56.381 56.287 0.175 0.000 0.889 79 K CB 0.533 33.095 32.500 0.103 0.000 1.011 79 K HN 0.521 nan 8.250 nan 0.000 0.505 80 A N 1.481 124.376 122.820 0.124 0.000 2.388 80 A HA 0.253 4.572 4.320 -0.001 0.000 0.257 80 A C 0.272 177.877 177.584 0.034 0.000 1.095 80 A CA -0.237 51.853 52.037 0.089 0.000 0.791 80 A CB -0.085 18.938 19.000 0.038 0.000 1.029 80 A HN 0.659 nan 8.150 nan 0.000 0.489 81 L N 2.492 123.718 121.223 0.005 0.000 3.218 81 L HA 0.160 4.499 4.340 -0.001 0.000 0.279 81 L C 0.556 177.372 176.870 -0.089 0.000 1.287 81 L CA -0.278 54.517 54.840 -0.075 0.000 1.024 81 L CB -0.076 41.899 42.059 -0.139 0.000 1.409 81 L HN 0.858 nan 8.230 nan 0.000 0.580 82 T N -3.824 110.692 114.554 -0.062 0.000 2.918 82 T HA 0.187 4.537 4.350 -0.001 0.000 0.302 82 T C -1.720 172.933 174.700 -0.078 0.000 1.045 82 T CA -1.395 60.662 62.100 -0.072 0.000 1.114 82 T CB 1.171 70.013 68.868 -0.043 0.000 0.965 82 T HN -0.117 nan 8.240 nan 0.000 0.540 83 P HA -0.235 nan 4.420 nan 0.000 0.218 83 P C 1.546 178.811 177.300 -0.059 0.000 1.154 83 P CA 1.559 64.614 63.100 -0.076 0.000 0.872 83 P CB -0.038 31.616 31.700 -0.077 0.000 0.790 84 D N -0.556 119.814 120.400 -0.051 0.000 2.149 84 D HA -0.172 4.467 4.640 -0.001 0.000 0.198 84 D C 1.841 178.111 176.300 -0.050 0.000 0.990 84 D CA 1.318 55.292 54.000 -0.043 0.000 0.839 84 D CB -0.941 39.839 40.800 -0.033 0.000 0.948 84 D HN 0.250 nan 8.370 nan 0.000 0.460 85 L N 0.632 121.820 121.223 -0.058 0.000 2.145 85 L HA -0.040 4.299 4.340 -0.001 0.000 0.201 85 L C 3.008 179.820 176.870 -0.096 0.000 1.075 85 L CA 1.390 56.186 54.840 -0.073 0.000 0.773 85 L CB -0.838 41.180 42.059 -0.068 0.000 0.936 85 L HN 0.145 nan 8.230 nan 0.000 0.451 86 T N -2.120 112.381 114.554 -0.088 0.000 2.777 86 T HA -0.187 4.163 4.350 -0.001 0.000 0.266 86 T C 1.995 176.658 174.700 -0.062 0.000 1.040 86 T CA 0.885 62.934 62.100 -0.085 0.000 1.141 86 T CB -0.329 68.496 68.868 -0.072 0.000 0.868 86 T HN 0.199 nan 8.240 nan 0.000 0.444 87 R N 1.142 121.614 120.500 -0.047 0.000 2.152 87 R HA -0.037 4.303 4.340 -0.001 0.000 0.232 87 R C 1.995 178.277 176.300 -0.031 0.000 1.117 87 R CA 1.511 57.596 56.100 -0.025 0.000 0.981 87 R CB -0.284 30.001 30.300 -0.025 0.000 0.870 87 R HN 0.441 nan 8.270 nan 0.000 0.451 88 D N 0.305 120.670 120.400 -0.058 0.000 2.194 88 D HA -0.056 4.584 4.640 -0.001 0.000 0.204 88 D C 1.808 178.049 176.300 -0.097 0.000 0.964 88 D CA 0.829 54.790 54.000 -0.066 0.000 0.846 88 D CB 0.041 40.796 40.800 -0.074 0.000 0.962 88 D HN 0.144 nan 8.370 nan 0.000 0.490 89 L N -0.179 120.949 121.223 -0.159 0.000 2.109 89 L HA 0.130 4.470 4.340 -0.001 0.000 0.207 89 L C 1.200 178.027 176.870 -0.071 0.000 1.086 89 L CA 0.688 55.361 54.840 -0.279 0.000 0.760 89 L CB -0.662 41.088 42.059 -0.515 0.000 0.910 89 L HN 0.139 nan 8.230 nan 0.000 0.437 90 G N -1.390 107.414 108.800 0.007 0.000 2.712 90 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.686 90 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.686 90 G C -0.043 174.963 174.900 0.176 0.000 1.321 90 G CA -0.094 45.069 45.100 0.105 0.000 0.813 90 G HN 0.073 nan 8.290 nan 0.000 0.599 91 F N 0.772 120.765 119.950 0.072 0.000 2.091 91 F HA -0.122 4.404 4.527 -0.001 0.000 0.299 91 F C 2.383 178.253 175.800 0.116 0.000 1.103 91 F CA 2.761 60.810 58.000 0.081 0.000 1.228 91 F CB 0.005 39.038 39.000 0.055 0.000 0.984 91 F HN 0.534 nan 8.300 nan 0.000 0.477 92 D N -0.902 119.629 120.400 0.218 0.000 2.123 92 D HA -0.259 4.381 4.640 -0.001 0.000 0.196 92 D C 2.015 178.366 176.300 0.084 0.000 0.992 92 D CA 1.691 55.765 54.000 0.123 0.000 0.833 92 D CB -0.832 40.083 40.800 0.192 0.000 0.954 92 D HN 0.442 nan 8.370 nan 0.000 0.455 93 Y N 1.675 121.995 120.300 0.033 0.000 2.145 93 Y HA -0.182 4.368 4.550 -0.001 0.000 0.286 93 Y C 2.303 178.251 175.900 0.080 0.000 1.145 93 Y CA 1.345 59.493 58.100 0.080 0.000 1.148 93 Y CB -0.441 38.072 38.460 0.088 0.000 0.981 93 Y HN -0.101 nan 8.280 nan 0.000 0.507 94 L N 0.042 121.415 121.223 0.250 0.000 2.017 94 L HA -0.276 4.064 4.340 -0.001 0.000 0.208 94 L C 2.689 179.524 176.870 -0.058 0.000 1.073 94 L CA 1.968 56.869 54.840 0.102 0.000 0.745 94 L CB -0.949 41.099 42.059 -0.017 0.000 0.894 94 L HN 0.301 nan 8.230 nan 0.000 0.432 95 Q N 0.457 120.088 119.800 -0.281 0.000 2.077 95 Q HA -0.262 4.077 4.340 -0.001 0.000 0.206 95 Q C 2.355 178.281 176.000 -0.124 0.000 0.989 95 Q CA 2.737 58.352 55.803 -0.314 0.000 0.853 95 Q CB -0.044 28.399 28.738 -0.492 0.000 0.907 95 Q HN 0.631 nan 8.270 nan 0.000 0.418 96 S N -0.602 115.066 115.700 -0.054 0.000 2.368 96 S HA -0.141 4.329 4.470 -0.001 0.000 0.224 96 S C 1.781 176.402 174.600 0.034 0.000 1.029 96 S CA 0.946 59.162 58.200 0.028 0.000 0.988 96 S CB -0.791 62.438 63.200 0.048 0.000 0.838 96 S HN 0.425 nan 8.310 nan 0.000 0.462 97 F N 2.161 122.051 119.950 -0.099 0.000 2.134 97 F HA 0.118 4.644 4.527 -0.001 0.000 0.299 97 F C 2.141 177.955 175.800 0.024 0.000 1.097 97 F CA 0.976 58.942 58.000 -0.057 0.000 1.264 97 F CB -0.372 38.570 39.000 -0.096 0.000 1.001 97 F HN 0.155 nan 8.300 nan 0.000 0.479 98 I N -1.226 119.482 120.570 0.229 0.000 2.315 98 I HA -0.297 3.872 4.170 -0.001 0.000 0.248 98 I C 2.170 178.369 176.117 0.135 0.000 1.117 98 I CA 1.492 62.917 61.300 0.207 0.000 1.404 98 I CB -0.831 37.208 38.000 0.065 0.000 1.071 98 I HN 0.088 nan 8.210 nan 0.000 0.419 99 T N -0.027 114.487 114.554 -0.066 0.000 2.668 99 T HA -0.170 4.180 4.350 -0.001 0.000 0.262 99 T C 1.596 176.060 174.700 -0.394 0.000 1.045 99 T CA 1.668 63.582 62.100 -0.309 0.000 1.152 99 T CB -0.330 68.156 68.868 -0.636 0.000 0.864 99 T HN 0.247 nan 8.240 nan 0.000 0.419 100 Y N 1.211 121.483 120.300 -0.046 0.000 2.510 100 Y HA 0.541 5.090 4.550 -0.001 0.000 0.273 100 Y C 1.398 177.226 175.900 -0.120 0.000 1.119 100 Y CA -0.166 57.872 58.100 -0.102 0.000 1.286 100 Y CB -0.522 37.842 38.460 -0.160 0.000 1.061 100 Y HN 0.393 nan 8.280 nan 0.000 0.542 101 A N 0.094 122.934 122.820 0.032 0.000 6.058 101 A HA 0.026 4.345 4.320 -0.001 0.000 0.237 101 A C 0.194 177.728 177.584 -0.083 0.000 2.308 101 A CA 0.406 52.467 52.037 0.040 0.000 0.701 101 A CB -1.860 17.128 19.000 -0.019 0.000 0.931 101 A HN 0.554 nan 8.150 nan 0.000 0.347 102 S N -0.803 114.901 115.700 0.007 0.000 2.552 102 S HA 0.723 5.192 4.470 -0.001 0.000 0.272 102 S C -2.117 172.496 174.600 0.022 0.000 1.150 102 S CA 0.004 58.198 58.200 -0.009 0.000 0.849 102 S CB 1.843 65.159 63.200 0.194 0.000 1.113 102 S HN 0.988 nan 8.310 nan 0.000 0.458 103 P HA 0.126 nan 4.420 nan 0.000 0.222 103 P C 1.170 178.483 177.300 0.021 0.000 1.153 103 P CA 0.999 64.099 63.100 0.000 0.000 0.798 103 P CB -0.156 31.538 31.700 -0.010 0.000 0.796 104 A N -0.156 122.696 122.820 0.054 0.000 2.178 104 A HA 0.205 4.524 4.320 -0.001 0.000 0.218 104 A C 1.839 179.451 177.584 0.047 0.000 1.157 104 A CA 1.687 53.758 52.037 0.058 0.000 0.689 104 A CB -1.161 17.895 19.000 0.094 0.000 0.787 104 A HN 0.356 nan 8.150 nan 0.000 0.465 105 G N -3.066 105.766 108.800 0.053 0.000 2.672 105 G HA2 -0.026 3.934 3.960 -0.001 0.000 0.197 105 G HA3 -0.026 3.934 3.960 -0.001 0.000 0.197 105 G C 0.108 175.045 174.900 0.060 0.000 0.995 105 G CA 0.106 45.224 45.100 0.030 0.000 0.754 105 G HN 0.456 nan 8.290 nan 0.000 0.505 106 M N 3.005 122.688 119.600 0.139 0.000 2.184 106 M HA 0.580 5.059 4.480 -0.001 0.000 0.351 106 M C -2.516 173.846 176.300 0.103 0.000 1.395 106 M CA -3.014 52.418 55.300 0.219 0.000 1.117 106 M CB 0.497 33.343 32.600 0.411 0.000 1.708 106 M HN -0.063 nan 8.290 nan 0.000 0.468 107 P HA 0.128 nan 4.420 nan 0.000 0.271 107 P C -0.969 176.067 177.300 -0.441 0.000 1.218 107 P CA -0.059 62.809 63.100 -0.387 0.000 0.780 107 P CB 0.267 31.447 31.700 -0.867 0.000 0.901 108 N N 2.639 121.114 118.700 -0.375 0.000 3.050 108 N HA -0.018 4.721 4.740 -0.001 0.000 0.289 108 N C 0.258 175.632 175.510 -0.227 0.000 1.209 108 N CA -0.289 52.638 53.050 -0.206 0.000 1.154 108 N CB -0.603 37.816 38.487 -0.114 0.000 1.444 108 N HN 0.470 nan 8.380 nan 0.000 0.529 109 W N 1.240 122.521 121.300 -0.031 0.000 2.321 109 W HA -0.053 4.606 4.660 -0.001 0.000 0.306 109 W C 2.236 178.711 176.519 -0.073 0.000 1.217 109 W CA 1.308 58.628 57.345 -0.042 0.000 1.257 109 W CB -0.432 29.009 29.460 -0.032 0.000 1.145 109 W HN 0.475 nan 8.180 nan 0.000 0.509 110 G N -0.098 108.750 108.800 0.081 0.000 2.454 110 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.214 110 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.214 110 G C 1.449 176.303 174.900 -0.077 0.000 1.217 110 G CA 2.015 47.090 45.100 -0.043 0.000 0.799 110 G HN 0.265 nan 8.290 nan 0.000 0.538 111 T N 0.256 114.735 114.554 -0.125 0.000 2.881 111 T HA -0.149 4.201 4.350 -0.001 0.000 0.270 111 T C 2.499 177.174 174.700 -0.043 0.000 1.068 111 T CA 1.977 64.037 62.100 -0.068 0.000 1.131 111 T CB -0.466 68.396 68.868 -0.010 0.000 0.871 111 T HN 0.432 nan 8.240 nan 0.000 0.479 112 S N 0.902 116.567 115.700 -0.059 0.000 2.461 112 S HA 0.332 4.802 4.470 -0.001 0.000 0.228 112 S C 2.094 176.676 174.600 -0.031 0.000 1.005 112 S CA 0.577 58.739 58.200 -0.064 0.000 0.942 112 S CB -0.844 62.282 63.200 -0.123 0.000 0.776 112 S HN 1.273 nan 8.310 nan 0.000 0.514 113 G N 0.931 109.726 108.800 -0.009 0.000 2.157 113 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.248 113 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.248 113 G C 0.557 175.481 174.900 0.040 0.000 0.979 113 G CA 0.593 45.699 45.100 0.010 0.000 0.650 113 G HN 0.513 nan 8.290 nan 0.000 0.529 114 E N -0.273 119.968 120.200 0.069 0.000 2.110 114 E HA 0.127 4.477 4.350 -0.001 0.000 0.193 114 E C 1.202 177.910 176.600 0.180 0.000 0.988 114 E CA 1.025 57.512 56.400 0.146 0.000 0.804 114 E CB -0.049 29.783 29.700 0.220 0.000 0.745 114 E HN 0.626 nan 8.360 nan 0.000 0.458 115 L N 0.526 121.853 121.223 0.174 0.000 2.365 115 L HA 0.346 4.686 4.340 -0.001 0.000 0.273 115 L C -0.002 176.898 176.870 0.050 0.000 1.000 115 L CA -0.977 53.923 54.840 0.100 0.000 0.819 115 L CB 1.951 44.065 42.059 0.093 0.000 1.284 115 L HN -0.025 nan 8.230 nan 0.000 0.418 116 S N 1.368 117.082 115.700 0.023 0.000 2.589 116 S HA 0.264 4.734 4.470 -0.001 0.000 0.265 116 S C 1.222 175.826 174.600 0.006 0.000 1.342 116 S CA 0.000 58.208 58.200 0.013 0.000 1.005 116 S CB 1.519 64.725 63.200 0.009 0.000 0.909 116 S HN 0.731 nan 8.310 nan 0.000 0.555 117 A N 1.162 123.985 122.820 0.004 0.000 1.948 117 A HA -0.123 4.196 4.320 -0.001 0.000 0.220 117 A C 2.199 179.794 177.584 0.019 0.000 1.177 117 A CA 1.549 53.589 52.037 0.005 0.000 0.636 117 A CB -0.869 18.137 19.000 0.009 0.000 0.815 117 A HN 0.876 nan 8.150 nan 0.000 0.449 118 E N -0.134 120.078 120.200 0.020 0.000 2.106 118 E HA -0.193 4.156 4.350 -0.001 0.000 0.192 118 E C 2.166 178.777 176.600 0.018 0.000 0.984 118 E CA 1.364 57.780 56.400 0.027 0.000 0.806 118 E CB -0.383 29.330 29.700 0.020 0.000 0.750 118 E HN 0.812 nan 8.360 nan 0.000 0.458 119 Q N 0.224 120.023 119.800 -0.003 0.000 2.172 119 Q HA -0.059 4.280 4.340 -0.001 0.000 0.200 119 Q C 2.349 178.324 176.000 -0.041 0.000 0.964 119 Q CA 0.828 56.612 55.803 -0.032 0.000 0.855 119 Q CB 0.102 28.812 28.738 -0.047 0.000 0.918 119 Q HN 0.077 nan 8.270 nan 0.000 0.444 120 V N 1.416 121.316 119.914 -0.023 0.000 2.295 120 V HA -0.256 3.863 4.120 -0.001 0.000 0.246 120 V C 1.497 177.578 176.094 -0.022 0.000 1.049 120 V CA 1.980 64.258 62.300 -0.037 0.000 1.024 120 V CB -0.438 31.363 31.823 -0.037 0.000 0.648 120 V HN 0.310 nan 8.190 nan 0.000 0.447 121 D N -0.084 120.344 120.400 0.046 0.000 2.117 121 D HA -0.130 4.510 4.640 -0.001 0.000 0.197 121 D C 2.148 178.561 176.300 0.189 0.000 0.987 121 D CA 1.084 55.191 54.000 0.180 0.000 0.829 121 D CB -0.280 40.671 40.800 0.252 0.000 0.961 121 D HN 0.304 nan 8.370 nan 0.000 0.460 122 L N 0.024 121.302 121.223 0.093 0.000 2.012 122 L HA -0.206 4.133 4.340 -0.001 0.000 0.210 122 L C 2.342 179.243 176.870 0.051 0.000 1.073 122 L CA 0.866 55.746 54.840 0.067 0.000 0.748 122 L CB -0.174 41.882 42.059 -0.005 0.000 0.891 122 L HN 0.078 nan 8.230 nan 0.000 0.431 123 M N -0.952 118.633 119.600 -0.026 0.000 2.117 123 M HA -0.147 4.332 4.480 -0.001 0.000 0.262 123 M C 2.545 178.865 176.300 0.033 0.000 1.065 123 M CA 1.917 57.183 55.300 -0.057 0.000 1.114 123 M CB -1.566 30.948 32.600 -0.144 0.000 1.361 123 M HN 0.283 nan 8.290 nan 0.000 0.408 124 A N 0.290 123.109 122.820 -0.001 0.000 1.908 124 A HA -0.213 4.107 4.320 -0.001 0.000 0.218 124 A C 2.133 179.806 177.584 0.149 0.000 1.181 124 A CA 2.278 54.283 52.037 -0.053 0.000 0.627 124 A CB -1.074 17.656 19.000 -0.451 0.000 0.818 124 A HN 0.531 nan 8.150 nan 0.000 0.445 125 N N -1.921 116.959 118.700 0.299 0.000 2.106 125 N HA -0.159 4.581 4.740 -0.001 0.000 0.188 125 N C 1.596 177.225 175.510 0.198 0.000 1.029 125 N CA 1.590 54.818 53.050 0.296 0.000 0.848 125 N CB -0.407 38.234 38.487 0.255 0.000 1.007 125 N HN 0.591 nan 8.380 nan 0.000 0.423 126 Y N 1.163 121.485 120.300 0.036 0.000 2.151 126 Y HA -0.155 4.394 4.550 -0.001 0.000 0.284 126 Y C 1.629 177.491 175.900 -0.063 0.000 1.166 126 Y CA 1.479 59.565 58.100 -0.024 0.000 1.163 126 Y CB -0.234 38.117 38.460 -0.182 0.000 0.974 126 Y HN 0.077 nan 8.280 nan 0.000 0.511 127 L N -0.300 120.950 121.223 0.045 0.000 2.362 127 L HA -0.179 4.161 4.340 -0.001 0.000 0.219 127 L C 1.985 178.798 176.870 -0.096 0.000 1.134 127 L CA 0.726 55.516 54.840 -0.084 0.000 0.807 127 L CB -0.385 41.652 42.059 -0.037 0.000 0.927 127 L HN 0.336 nan 8.230 nan 0.000 0.447 128 L N -0.816 120.391 121.223 -0.028 0.000 2.446 128 L HA 0.056 4.395 4.340 -0.001 0.000 0.219 128 L C 0.953 177.788 176.870 -0.058 0.000 1.116 128 L CA 0.065 54.895 54.840 -0.017 0.000 0.844 128 L CB 0.037 42.130 42.059 0.057 0.000 0.970 128 L HN 0.159 nan 8.230 nan 0.000 0.457 129 L N -0.711 120.457 121.223 -0.092 0.000 2.454 129 L HA 0.188 4.528 4.340 -0.001 0.000 0.256 129 L C -0.108 176.654 176.870 -0.179 0.000 1.136 129 L CA -0.886 53.884 54.840 -0.118 0.000 0.804 129 L CB 0.407 42.418 42.059 -0.079 0.000 1.181 129 L HN -0.051 nan 8.230 nan 0.000 0.469 130 D N 1.031 121.332 120.400 -0.164 0.000 2.458 130 D HA 0.143 4.783 4.640 -0.001 0.000 0.243 130 D C -2.165 174.024 176.300 -0.186 0.000 1.146 130 D CA -0.785 53.122 54.000 -0.154 0.000 0.877 130 D CB 0.323 41.047 40.800 -0.126 0.000 1.176 130 D HN 0.179 nan 8.370 nan 0.000 0.461 131 P HA 0.134 nan 4.420 nan 0.000 0.268 131 P C -0.839 176.418 177.300 -0.072 0.000 1.205 131 P CA -0.194 62.788 63.100 -0.196 0.000 0.771 131 P CB 0.570 32.181 31.700 -0.148 0.000 0.858 132 A N 3.113 125.935 122.820 0.004 0.000 2.404 132 A HA 0.491 4.810 4.320 -0.001 0.000 0.273 132 A C 0.478 178.125 177.584 0.105 0.000 1.144 132 A CA -0.255 51.858 52.037 0.126 0.000 0.806 132 A CB -0.395 18.778 19.000 0.288 0.000 1.080 132 A HN 0.558 nan 8.150 nan 0.000 0.509 133 A N 5.489 128.353 122.820 0.073 0.000 2.376 133 A HA 0.574 4.894 4.320 -0.001 0.000 0.298 133 A C -2.182 175.445 177.584 0.073 0.000 1.271 133 A CA -1.210 50.865 52.037 0.063 0.000 0.926 133 A CB -0.593 18.455 19.000 0.079 0.000 1.141 133 A HN 0.659 nan 8.150 nan 0.000 0.539 134 P HA 0.249 nan 4.420 nan 0.000 0.269 134 P C -2.354 175.097 177.300 0.251 0.000 1.215 134 P CA -0.784 62.298 63.100 -0.029 0.000 0.780 134 P CB 0.148 31.515 31.700 -0.554 0.000 0.898 135 P HA 0.113 nan 4.420 nan 0.000 0.274 135 P C -0.236 177.308 177.300 0.407 0.000 1.231 135 P CA -0.038 63.240 63.100 0.297 0.000 0.790 135 P CB 0.891 32.724 31.700 0.221 0.000 0.951 136 E N 0.583 120.940 120.200 0.261 0.000 2.376 136 E HA 0.324 4.674 4.350 -0.001 0.000 0.254 136 E C -0.872 175.849 176.600 0.201 0.000 1.213 136 E CA -0.123 56.372 56.400 0.159 0.000 0.945 136 E CB 0.372 30.111 29.700 0.065 0.000 1.057 136 E HN 0.436 nan 8.360 nan 0.000 0.479 137 F N -0.031 119.882 119.950 -0.061 0.000 3.228 137 F HA 0.361 4.887 4.527 -0.001 0.000 0.385 137 F C 0.096 175.848 175.800 -0.081 0.000 1.247 137 F CA -0.306 57.663 58.000 -0.051 0.000 1.211 137 F CB 0.719 39.688 39.000 -0.051 0.000 1.719 137 F HN 0.418 nan 8.300 nan 0.000 0.630 138 G N 2.484 111.175 108.800 -0.182 0.000 2.702 138 G HA2 0.294 4.254 3.960 -0.001 0.000 0.254 138 G HA3 0.294 4.254 3.960 -0.001 0.000 0.254 138 G C 0.747 175.535 174.900 -0.186 0.000 1.380 138 G CA -0.497 44.519 45.100 -0.140 0.000 1.042 138 G HN 0.549 nan 8.290 nan 0.000 0.557 139 M N -0.036 119.483 119.600 -0.135 0.000 2.082 139 M HA -0.080 4.399 4.480 -0.001 0.000 0.258 139 M C 2.370 178.589 176.300 -0.134 0.000 1.069 139 M CA 2.169 57.395 55.300 -0.123 0.000 1.102 139 M CB -0.495 32.046 32.600 -0.099 0.000 1.336 139 M HN 0.633 nan 8.290 nan 0.000 0.404 140 K N -0.594 119.721 120.400 -0.141 0.000 2.032 140 K HA -0.248 4.071 4.320 -0.001 0.000 0.209 140 K C 1.715 178.203 176.600 -0.186 0.000 1.048 140 K CA 2.156 58.366 56.287 -0.127 0.000 0.927 140 K CB -0.181 32.251 32.500 -0.114 0.000 0.712 140 K HN 0.334 nan 8.250 nan 0.000 0.441 141 E N 0.485 120.468 120.200 -0.362 0.000 2.077 141 E HA -0.150 4.199 4.350 -0.001 0.000 0.193 141 E C 2.019 178.334 176.600 -0.475 0.000 0.989 141 E CA 1.699 57.723 56.400 -0.626 0.000 0.800 141 E CB -0.111 28.747 29.700 -1.403 0.000 0.746 141 E HN 0.361 nan 8.360 nan 0.000 0.452 142 M N -0.110 119.300 119.600 -0.316 0.000 2.117 142 M HA -0.119 4.360 4.480 -0.001 0.000 0.262 142 M C 2.149 178.494 176.300 0.075 0.000 1.065 142 M CA 1.447 56.773 55.300 0.043 0.000 1.114 142 M CB -0.179 32.445 32.600 0.040 0.000 1.361 142 M HN -0.006 nan 8.290 nan 0.000 0.408 143 R N 0.160 120.676 120.500 0.028 0.000 2.120 143 R HA -0.130 4.210 4.340 -0.001 0.000 0.234 143 R C 1.865 178.279 176.300 0.191 0.000 1.123 143 R CA 1.193 57.385 56.100 0.154 0.000 0.975 143 R CB -0.356 30.008 30.300 0.106 0.000 0.866 143 R HN 0.535 nan 8.270 nan 0.000 0.446 144 E N 0.304 120.553 120.200 0.083 0.000 2.150 144 E HA -0.120 4.230 4.350 -0.001 0.000 0.193 144 E C 1.850 178.515 176.600 0.109 0.000 0.985 144 E CA 1.514 57.956 56.400 0.070 0.000 0.814 144 E CB 0.100 29.808 29.700 0.014 0.000 0.752 144 E HN 0.325 nan 8.360 nan 0.000 0.466 145 S N -0.230 115.565 115.700 0.159 0.000 2.524 145 S HA -0.058 4.412 4.470 -0.001 0.000 0.216 145 S C 0.321 175.051 174.600 0.215 0.000 0.987 145 S CA -0.586 57.724 58.200 0.184 0.000 0.909 145 S CB -0.213 63.135 63.200 0.246 0.000 0.781 145 S HN 0.302 nan 8.310 nan 0.000 0.521 146 W N 3.891 125.198 121.300 0.012 0.000 2.381 146 W HA 0.440 5.099 4.660 -0.001 0.000 0.321 146 W C -0.613 175.870 176.519 -0.059 0.000 1.407 146 W CA -1.078 56.254 57.345 -0.021 0.000 1.274 146 W CB -0.042 29.407 29.460 -0.019 0.000 1.310 146 W HN 0.031 nan 8.180 nan 0.000 0.551 147 K N 5.454 125.725 120.400 -0.216 0.000 2.507 147 K HA 0.401 4.721 4.320 -0.001 0.000 0.252 147 K C -1.379 174.837 176.600 -0.640 0.000 0.943 147 K CA -0.997 55.011 56.287 -0.466 0.000 0.808 147 K CB 2.159 34.459 32.500 -0.333 0.000 1.142 147 K HN 0.081 nan 8.250 nan 0.000 0.426 148 V N 4.976 124.498 119.914 -0.654 0.000 2.304 148 V HA 0.080 4.199 4.120 -0.001 0.000 0.269 148 V C 0.876 176.785 176.094 -0.309 0.000 1.036 148 V CA -0.529 61.502 62.300 -0.449 0.000 0.840 148 V CB 0.381 31.964 31.823 -0.399 0.000 1.036 148 V HN 0.808 nan 8.190 nan 0.000 0.466 149 H N 3.130 122.146 119.070 -0.089 0.000 2.363 149 H HA 0.103 4.658 4.556 -0.001 0.000 0.301 149 H C 0.432 175.731 175.328 -0.048 0.000 1.074 149 H CA 1.086 57.098 56.048 -0.060 0.000 1.354 149 H CB 0.509 30.251 29.762 -0.033 0.000 1.397 149 H HN 0.401 nan 8.280 nan 0.000 0.516 150 V N 1.292 121.251 119.914 0.075 0.000 2.409 150 V HA 0.486 4.605 4.120 -0.001 0.000 0.290 150 V C 0.122 176.219 176.094 0.006 0.000 1.017 150 V CA -1.078 61.245 62.300 0.039 0.000 0.841 150 V CB 1.330 33.185 31.823 0.053 0.000 1.003 150 V HN 0.357 nan 8.190 nan 0.000 0.426 151 A N 6.385 129.200 122.820 -0.008 0.000 2.462 151 A HA 0.484 4.804 4.320 -0.001 0.000 0.243 151 A C -1.242 176.347 177.584 0.008 0.000 1.076 151 A CA -0.840 51.188 52.037 -0.015 0.000 0.773 151 A CB 0.076 19.064 19.000 -0.021 0.000 1.010 151 A HN 0.690 nan 8.150 nan 0.000 0.493 152 P HA -0.197 nan 4.420 nan 0.000 0.217 152 P C 0.769 178.088 177.300 0.031 0.000 1.148 152 P CA 1.757 64.873 63.100 0.026 0.000 0.834 152 P CB 0.176 31.887 31.700 0.017 0.000 0.783 153 E N -0.794 119.419 120.200 0.020 0.000 2.150 153 E HA -0.135 4.214 4.350 -0.001 0.000 0.193 153 E C 1.165 177.779 176.600 0.024 0.000 0.985 153 E CA 1.104 57.516 56.400 0.020 0.000 0.814 153 E CB -0.779 28.928 29.700 0.011 0.000 0.752 153 E HN 0.342 nan 8.360 nan 0.000 0.466 154 D N 0.144 120.557 120.400 0.022 0.000 2.328 154 D HA 0.047 4.687 4.640 -0.001 0.000 0.221 154 D C 0.123 176.444 176.300 0.035 0.000 1.072 154 D CA 0.164 54.178 54.000 0.023 0.000 0.850 154 D CB 0.153 40.962 40.800 0.016 0.000 0.922 154 D HN 0.077 nan 8.370 nan 0.000 0.516 155 R N 0.943 121.472 120.500 0.049 0.000 2.528 155 R HA 0.415 4.754 4.340 -0.001 0.000 0.271 155 R C -2.253 174.096 176.300 0.082 0.000 1.056 155 R CA -1.541 54.600 56.100 0.067 0.000 1.117 155 R CB 0.068 30.420 30.300 0.087 0.000 1.085 155 R HN -0.129 nan 8.270 nan 0.000 0.530 156 P HA -0.027 nan 4.420 nan 0.000 0.268 156 P C 0.326 177.747 177.300 0.202 0.000 1.208 156 P CA 0.243 63.421 63.100 0.130 0.000 0.777 156 P CB 0.599 32.392 31.700 0.156 0.000 0.875 157 T N -1.774 112.871 114.554 0.152 0.000 3.044 157 T HA 0.090 4.440 4.350 -0.001 0.000 0.250 157 T C 0.439 175.262 174.700 0.203 0.000 1.081 157 T CA 0.083 62.289 62.100 0.177 0.000 1.040 157 T CB -0.217 68.701 68.868 0.083 0.000 0.962 157 T HN 0.640 nan 8.240 nan 0.000 0.506 158 Q N -0.241 119.581 119.800 0.036 0.000 2.575 158 Q HA 0.362 4.701 4.340 -0.001 0.000 0.290 158 Q C -1.322 174.291 176.000 -0.645 0.000 0.963 158 Q CA -1.201 54.323 55.803 -0.464 0.000 0.783 158 Q CB 1.055 29.596 28.738 -0.329 0.000 1.467 158 Q HN 0.122 nan 8.270 nan 0.000 0.402 159 Q N 1.019 120.069 119.800 -1.250 0.000 2.263 159 Q HA 0.056 4.396 4.340 -0.001 0.000 0.289 159 Q C -0.110 175.636 176.000 -0.424 0.000 1.061 159 Q CA 0.517 55.761 55.803 -0.931 0.000 0.927 159 Q CB 0.545 28.726 28.738 -0.927 0.000 1.154 159 Q HN 0.773 nan 8.270 nan 0.000 0.378 160 M N 2.512 121.953 119.600 -0.266 0.000 2.382 160 M HA 0.070 4.549 4.480 -0.001 0.000 0.247 160 M C -0.143 176.041 176.300 -0.193 0.000 1.104 160 M CA -0.005 55.186 55.300 -0.183 0.000 1.030 160 M CB 0.140 32.671 32.600 -0.115 0.000 1.424 160 M HN 0.560 nan 8.290 nan 0.000 0.486 161 N N -0.066 118.470 118.700 -0.274 0.000 2.485 161 N HA 0.136 4.875 4.740 -0.001 0.000 0.280 161 N C -0.220 175.186 175.510 -0.174 0.000 1.205 161 N CA -0.602 52.261 53.050 -0.311 0.000 0.959 161 N CB 0.417 38.440 38.487 -0.773 0.000 1.206 161 N HN -0.022 nan 8.380 nan 0.000 0.545 162 D N -1.784 118.617 120.400 0.000 0.000 2.388 162 D HA 0.040 4.680 4.640 -0.001 0.000 0.221 162 D C -0.719 175.731 176.300 0.249 0.000 1.133 162 D CA -0.439 53.616 54.000 0.092 0.000 0.831 162 D CB -0.275 40.579 40.800 0.091 0.000 0.962 162 D HN 0.366 nan 8.370 nan 0.000 0.502 163 W N 1.539 122.833 121.300 -0.011 0.000 2.112 163 W HA 0.250 4.909 4.660 -0.001 0.000 0.349 163 W C 0.863 177.385 176.519 0.005 0.000 1.289 163 W CA -0.900 56.450 57.345 0.007 0.000 1.256 163 W CB -0.050 29.427 29.460 0.029 0.000 1.148 163 W HN -0.114 nan 8.180 nan 0.000 0.590 164 D N 2.167 122.714 120.400 0.245 0.000 2.500 164 D HA 0.125 4.764 4.640 -0.001 0.000 0.219 164 D C 1.248 177.658 176.300 0.182 0.000 1.137 164 D CA 0.021 54.109 54.000 0.148 0.000 0.946 164 D CB 0.134 40.983 40.800 0.082 0.000 1.022 164 D HN 0.288 nan 8.370 nan 0.000 0.518 165 L N 2.041 123.388 121.223 0.206 0.000 2.043 165 L HA -0.181 4.158 4.340 -0.001 0.000 0.212 165 L C 2.006 178.979 176.870 0.171 0.000 1.075 165 L CA 1.159 56.131 54.840 0.220 0.000 0.752 165 L CB -0.227 41.961 42.059 0.216 0.000 0.891 165 L HN 0.400 nan 8.230 nan 0.000 0.432 166 E N -0.313 119.978 120.200 0.153 0.000 2.268 166 E HA -0.188 4.161 4.350 -0.001 0.000 0.195 166 E C 1.130 177.793 176.600 0.104 0.000 0.995 166 E CA 0.737 57.237 56.400 0.167 0.000 0.836 166 E CB -0.120 29.687 29.700 0.178 0.000 0.763 166 E HN 0.355 nan 8.360 nan 0.000 0.491 167 N N 0.362 119.107 118.700 0.075 0.000 2.230 167 N HA 0.039 4.779 4.740 -0.001 0.000 0.202 167 N C -0.473 175.081 175.510 0.074 0.000 1.119 167 N CA -0.153 52.928 53.050 0.051 0.000 0.851 167 N CB 0.314 38.848 38.487 0.077 0.000 0.990 167 N HN -0.011 nan 8.380 nan 0.000 0.497 168 L N 0.629 121.895 121.223 0.071 0.000 2.417 168 L HA 0.383 4.722 4.340 -0.001 0.000 0.268 168 L C -0.859 176.009 176.870 -0.003 0.000 1.158 168 L CA 0.163 55.073 54.840 0.117 0.000 0.819 168 L CB 0.183 42.344 42.059 0.170 0.000 1.112 168 L HN -0.079 nan 8.230 nan 0.000 0.458 169 F N 2.360 122.247 119.950 -0.105 0.000 2.482 169 F HA 0.407 4.933 4.527 -0.001 0.000 0.331 169 F C 0.302 176.083 175.800 -0.032 0.000 1.115 169 F CA -0.394 57.500 58.000 -0.177 0.000 0.955 169 F CB 1.915 40.629 39.000 -0.477 0.000 1.136 169 F HN 0.389 nan 8.300 nan 0.000 0.452 170 S N 3.355 119.154 115.700 0.165 0.000 2.422 170 S HA 0.703 5.172 4.470 -0.001 0.000 0.308 170 S C -1.037 173.672 174.600 0.182 0.000 1.097 170 S CA -0.478 57.831 58.200 0.182 0.000 1.099 170 S CB 0.293 63.608 63.200 0.192 0.000 0.976 170 S HN 0.361 nan 8.310 nan 0.000 0.471 171 V N 5.137 125.137 119.914 0.143 0.000 2.459 171 V HA 0.404 4.523 4.120 -0.001 0.000 0.295 171 V C 0.422 176.561 176.094 0.075 0.000 1.029 171 V CA -0.802 61.552 62.300 0.089 0.000 0.874 171 V CB 1.819 33.696 31.823 0.090 0.000 0.985 171 V HN 0.855 nan 8.190 nan 0.000 0.438 172 T N 6.567 121.145 114.554 0.039 0.000 2.779 172 T HA 0.367 4.716 4.350 -0.001 0.000 0.296 172 T C 0.202 174.893 174.700 -0.015 0.000 0.938 172 T CA 0.071 62.184 62.100 0.021 0.000 1.119 172 T CB 0.024 68.882 68.868 -0.016 0.000 0.891 172 T HN 0.401 nan 8.240 nan 0.000 0.526 173 L N 4.686 125.918 121.223 0.014 0.000 2.589 173 L HA 0.350 4.689 4.340 -0.001 0.000 0.244 173 L C 1.910 178.788 176.870 0.013 0.000 1.159 173 L CA -0.558 54.291 54.840 0.015 0.000 1.074 173 L CB 0.004 42.084 42.059 0.037 0.000 1.391 173 L HN 0.689 nan 8.230 nan 0.000 0.423 174 R N 1.019 121.507 120.500 -0.019 0.000 2.273 174 R HA -0.264 4.075 4.340 -0.001 0.000 0.229 174 R C 1.122 177.438 176.300 0.026 0.000 1.104 174 R CA 2.764 58.863 56.100 -0.002 0.000 0.870 174 R CB 0.072 30.346 30.300 -0.043 0.000 0.894 174 R HN 0.532 nan 8.270 nan 0.000 0.421 175 D N -0.669 119.763 120.400 0.053 0.000 2.309 175 D HA -0.085 4.555 4.640 -0.001 0.000 0.212 175 D C 1.317 177.615 176.300 -0.003 0.000 0.968 175 D CA 1.277 55.295 54.000 0.031 0.000 0.882 175 D CB -0.095 40.748 40.800 0.072 0.000 0.918 175 D HN 0.482 nan 8.370 nan 0.000 0.503 176 A N -0.131 122.697 122.820 0.013 0.000 2.218 176 A HA 0.399 4.718 4.320 -0.001 0.000 0.209 176 A C 1.722 179.309 177.584 0.005 0.000 1.168 176 A CA 0.801 52.845 52.037 0.011 0.000 0.804 176 A CB -0.263 18.753 19.000 0.028 0.000 0.834 176 A HN 0.200 nan 8.150 nan 0.000 0.482 177 G N -0.660 108.141 108.800 0.001 0.000 2.295 177 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.287 177 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.287 177 G C -0.146 174.785 174.900 0.052 0.000 1.055 177 G CA 0.698 45.812 45.100 0.023 0.000 0.922 177 G HN 0.690 nan 8.290 nan 0.000 0.503 178 Q N -1.389 118.442 119.800 0.052 0.000 2.553 178 Q HA 0.790 5.130 4.340 -0.001 0.000 0.293 178 Q C 0.072 176.111 176.000 0.066 0.000 1.038 178 Q CA -0.933 54.906 55.803 0.060 0.000 0.777 178 Q CB 2.270 31.040 28.738 0.053 0.000 1.487 178 Q HN 0.769 nan 8.270 nan 0.000 0.426 179 I N -2.459 118.157 120.570 0.076 0.000 2.730 179 I HA 0.955 5.125 4.170 -0.001 0.000 0.298 179 I C -1.296 174.876 176.117 0.091 0.000 1.089 179 I CA -1.125 60.227 61.300 0.087 0.000 1.041 179 I CB 2.201 40.262 38.000 0.102 0.000 1.235 179 I HN 0.573 nan 8.210 nan 0.000 0.423 180 A N 6.232 129.110 122.820 0.097 0.000 2.342 180 A HA 0.816 5.135 4.320 -0.001 0.000 0.323 180 A C -0.853 176.803 177.584 0.119 0.000 1.125 180 A CA -0.670 51.426 52.037 0.099 0.000 0.785 180 A CB 1.247 20.299 19.000 0.088 0.000 1.221 180 A HN 0.772 nan 8.150 nan 0.000 0.463 181 L N 3.475 124.767 121.223 0.114 0.000 2.265 181 L HA 0.480 4.820 4.340 -0.001 0.000 0.289 181 L C -0.761 176.142 176.870 0.056 0.000 1.033 181 L CA -0.055 54.858 54.840 0.120 0.000 0.814 181 L CB 0.817 42.981 42.059 0.175 0.000 1.203 181 L HN 0.573 nan 8.230 nan 0.000 0.423 182 I N 2.199 122.838 120.570 0.115 0.000 2.474 182 I HA 0.242 4.411 4.170 -0.001 0.000 0.294 182 I C -0.005 176.197 176.117 0.141 0.000 1.005 182 I CA -0.689 60.688 61.300 0.129 0.000 1.113 182 I CB 2.237 40.400 38.000 0.270 0.000 1.289 182 I HN 0.514 nan 8.210 nan 0.000 0.436 183 D N 4.322 124.753 120.400 0.051 0.000 2.417 183 D HA 0.036 4.676 4.640 -0.001 0.000 0.250 183 D C 1.085 177.488 176.300 0.171 0.000 1.166 183 D CA 0.231 54.245 54.000 0.023 0.000 0.881 183 D CB 1.890 42.620 40.800 -0.117 0.000 1.164 183 D HN 0.815 nan 8.370 nan 0.000 0.467 184 G N 2.210 111.145 108.800 0.225 0.000 2.534 184 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.217 184 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.217 184 G C 1.328 176.314 174.900 0.143 0.000 1.128 184 G CA 0.888 46.206 45.100 0.365 0.000 0.784 184 G HN 0.530 nan 8.290 nan 0.000 0.542 185 S N -0.549 115.078 115.700 -0.120 0.000 2.527 185 S HA -0.011 4.459 4.470 -0.001 0.000 0.227 185 S C 2.065 176.229 174.600 -0.726 0.000 1.059 185 S CA 1.154 59.159 58.200 -0.325 0.000 0.919 185 S CB -0.020 63.090 63.200 -0.150 0.000 0.805 185 S HN 0.357 nan 8.310 nan 0.000 0.500 186 T N -2.822 111.378 114.554 -0.590 0.000 3.022 186 T HA 0.213 4.562 4.350 -0.001 0.000 0.250 186 T C 0.298 174.681 174.700 -0.528 0.000 1.060 186 T CA 0.100 61.871 62.100 -0.549 0.000 1.013 186 T CB -0.675 68.041 68.868 -0.252 0.000 0.982 186 T HN 0.314 nan 8.240 nan 0.000 0.508 187 Y N 0.370 120.614 120.300 -0.092 0.000 4.668 187 Y HA -0.183 4.367 4.550 -0.001 0.000 0.234 187 Y C 0.307 176.178 175.900 -0.049 0.000 1.056 187 Y CA -0.020 58.021 58.100 -0.098 0.000 2.025 187 Y CB -2.724 35.532 38.460 -0.340 0.000 1.613 187 Y HN 0.563 nan 8.280 nan 0.000 0.653 188 E N 1.489 121.695 120.200 0.009 0.000 2.316 188 E HA 0.349 4.699 4.350 -0.001 0.000 0.275 188 E C 0.052 176.637 176.600 -0.025 0.000 1.029 188 E CA -0.437 55.951 56.400 -0.019 0.000 0.871 188 E CB 0.451 30.098 29.700 -0.088 0.000 1.022 188 E HN 0.357 nan 8.360 nan 0.000 0.418 189 I N 6.410 126.979 120.570 -0.001 0.000 2.389 189 I HA -0.051 4.119 4.170 -0.001 0.000 0.295 189 I C 1.427 177.502 176.117 -0.069 0.000 1.117 189 I CA -0.189 61.109 61.300 -0.003 0.000 1.317 189 I CB 0.410 38.427 38.000 0.027 0.000 1.431 189 I HN 0.431 nan 8.210 nan 0.000 0.521 190 K N 2.954 123.251 120.400 -0.171 0.000 2.148 190 K HA -0.005 4.314 4.320 -0.001 0.000 0.204 190 K C 0.798 177.346 176.600 -0.086 0.000 1.050 190 K CA 0.814 56.907 56.287 -0.324 0.000 0.942 190 K CB 0.004 31.955 32.500 -0.914 0.000 0.724 190 K HN 0.661 nan 8.250 nan 0.000 0.446 191 T N -1.062 113.497 114.554 0.010 0.000 2.907 191 T HA 0.294 4.644 4.350 -0.001 0.000 0.344 191 T C -2.004 172.753 174.700 0.095 0.000 1.675 191 T CA -0.685 61.476 62.100 0.102 0.000 1.076 191 T CB 1.201 70.203 68.868 0.223 0.000 1.483 191 T HN -0.256 nan 8.240 nan 0.000 0.487 192 V N 4.926 124.892 119.914 0.088 0.000 2.407 192 V HA 0.570 4.690 4.120 -0.001 0.000 0.291 192 V C -0.318 175.823 176.094 0.079 0.000 1.018 192 V CA -0.685 61.662 62.300 0.078 0.000 0.842 192 V CB 1.305 33.165 31.823 0.062 0.000 0.996 192 V HN 0.745 nan 8.190 nan 0.000 0.426 193 L N 3.810 125.083 121.223 0.084 0.000 2.317 193 L HA 0.591 4.931 4.340 -0.001 0.000 0.281 193 L C -0.522 176.388 176.870 0.067 0.000 1.024 193 L CA -0.639 54.246 54.840 0.076 0.000 0.810 193 L CB 1.902 44.012 42.059 0.085 0.000 1.240 193 L HN 0.549 nan 8.230 nan 0.000 0.427 194 D N 0.081 120.516 120.400 0.057 0.000 2.225 194 D HA 0.247 4.886 4.640 -0.001 0.000 0.248 194 D C 0.819 177.157 176.300 0.065 0.000 1.096 194 D CA -0.050 53.984 54.000 0.056 0.000 0.863 194 D CB 1.649 42.477 40.800 0.046 0.000 1.156 194 D HN 0.641 nan 8.370 nan 0.000 0.450 195 T N -1.011 113.590 114.554 0.078 0.000 2.971 195 T HA 0.360 4.709 4.350 -0.001 0.000 0.252 195 T C 1.563 176.330 174.700 0.111 0.000 1.022 195 T CA 0.251 62.407 62.100 0.093 0.000 0.980 195 T CB 0.529 69.458 68.868 0.102 0.000 1.044 195 T HN 0.551 nan 8.240 nan 0.000 0.501 196 G N 0.335 109.200 108.800 0.108 0.000 2.279 196 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.223 196 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.223 196 G C -0.188 174.829 174.900 0.194 0.000 1.015 196 G CA 0.076 45.255 45.100 0.131 0.000 0.621 196 G HN 0.727 nan 8.290 nan 0.000 0.506 197 Y N 0.404 120.733 120.300 0.049 0.000 2.609 197 Y HA 0.601 5.151 4.550 -0.001 0.000 0.336 197 Y C 0.132 176.065 175.900 0.055 0.000 1.129 197 Y CA -0.282 57.848 58.100 0.050 0.000 1.040 197 Y CB 1.262 39.747 38.460 0.042 0.000 1.310 197 Y HN 0.894 nan 8.280 nan 0.000 0.460 198 A N 3.115 125.980 122.820 0.076 0.000 2.566 198 A HA 0.425 4.745 4.320 -0.001 0.000 0.245 198 A C -0.146 177.593 177.584 0.258 0.000 1.056 198 A CA 0.449 52.567 52.037 0.135 0.000 0.757 198 A CB -1.047 18.000 19.000 0.078 0.000 0.979 198 A HN 1.103 nan 8.150 nan 0.000 0.508 199 V N 0.794 120.809 119.914 0.167 0.000 2.997 199 V HA 0.491 4.611 4.120 -0.001 0.000 0.311 199 V C 0.867 177.061 176.094 0.167 0.000 1.066 199 V CA 0.104 62.498 62.300 0.158 0.000 1.039 199 V CB 1.240 33.132 31.823 0.116 0.000 1.081 199 V HN 0.943 nan 8.190 nan 0.000 0.467 200 H N 2.231 121.338 119.070 0.061 0.000 2.430 200 H HA 0.528 5.083 4.556 -0.001 0.000 0.297 200 H C 0.460 175.841 175.328 0.088 0.000 1.016 200 H CA 1.309 57.395 56.048 0.063 0.000 1.294 200 H CB 0.551 30.331 29.762 0.030 0.000 1.465 200 H HN 0.817 nan 8.280 nan 0.000 0.547 201 I N -2.703 117.913 120.570 0.077 0.000 3.102 201 I HA 0.573 4.742 4.170 -0.001 0.000 0.310 201 I C -1.100 174.930 176.117 -0.144 0.000 1.246 201 I CA -1.071 60.192 61.300 -0.062 0.000 0.979 201 I CB 2.698 40.562 38.000 -0.226 0.000 1.267 201 I HN -0.197 nan 8.210 nan 0.000 0.451 202 S N 1.953 117.418 115.700 -0.392 0.000 2.503 202 S HA 0.736 5.206 4.470 -0.001 0.000 0.301 202 S C -0.688 173.671 174.600 -0.401 0.000 1.087 202 S CA -0.809 57.260 58.200 -0.218 0.000 1.042 202 S CB 1.477 64.688 63.200 0.019 0.000 1.043 202 S HN 0.450 nan 8.310 nan 0.000 0.489 203 R N 1.531 121.953 120.500 -0.130 0.000 2.771 203 R HA 0.547 4.887 4.340 -0.001 0.000 0.274 203 R C -1.535 174.821 176.300 0.094 0.000 0.987 203 R CA -0.781 55.264 56.100 -0.091 0.000 0.908 203 R CB 1.273 31.505 30.300 -0.113 0.000 1.213 203 R HN 0.432 nan 8.270 nan 0.000 0.468 204 L N 1.274 122.546 121.223 0.083 0.000 2.334 204 L HA 0.433 4.772 4.340 -0.001 0.000 0.273 204 L C 0.852 177.818 176.870 0.160 0.000 1.013 204 L CA -0.473 54.458 54.840 0.152 0.000 0.816 204 L CB 1.860 43.970 42.059 0.085 0.000 1.278 204 L HN 0.797 nan 8.230 nan 0.000 0.431 205 S N 0.948 116.798 115.700 0.250 0.000 2.593 205 S HA 0.262 4.731 4.470 -0.001 0.000 0.269 205 S C 1.249 175.902 174.600 0.087 0.000 1.334 205 S CA 0.093 58.414 58.200 0.202 0.000 1.015 205 S CB 1.119 64.518 63.200 0.331 0.000 0.912 205 S HN 0.713 nan 8.310 nan 0.000 0.541 206 A N 1.577 124.426 122.820 0.049 0.000 2.076 206 A HA -0.046 4.274 4.320 -0.001 0.000 0.220 206 A C 2.324 179.922 177.584 0.023 0.000 1.160 206 A CA 1.739 53.787 52.037 0.018 0.000 0.653 206 A CB -1.357 17.644 19.000 0.002 0.000 0.801 206 A HN 1.300 nan 8.150 nan 0.000 0.455 207 S N -2.467 113.247 115.700 0.024 0.000 2.501 207 S HA 0.364 4.833 4.470 -0.001 0.000 0.220 207 S C 1.530 176.149 174.600 0.031 0.000 0.997 207 S CA 1.088 59.298 58.200 0.017 0.000 0.919 207 S CB -0.191 62.985 63.200 -0.040 0.000 0.778 207 S HN 1.870 nan 8.310 nan 0.000 0.523 208 G N 1.851 110.664 108.800 0.022 0.000 2.176 208 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.253 208 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.253 208 G C 0.820 175.705 174.900 -0.025 0.000 0.979 208 G CA 0.437 45.563 45.100 0.043 0.000 0.641 208 G HN 0.590 nan 8.290 nan 0.000 0.530 209 R N -0.896 119.469 120.500 -0.225 0.000 2.080 209 R HA 0.210 4.549 4.340 -0.001 0.000 0.222 209 R C 0.243 176.168 176.300 -0.626 0.000 1.107 209 R CA 0.699 56.413 56.100 -0.642 0.000 0.980 209 R CB 0.022 29.514 30.300 -1.348 0.000 0.879 209 R HN 0.359 nan 8.270 nan 0.000 0.439 210 Y N 0.554 120.749 120.300 -0.174 0.000 2.341 210 Y HA 0.339 4.889 4.550 -0.001 0.000 0.337 210 Y C -0.490 175.321 175.900 -0.149 0.000 1.014 210 Y CA -1.210 56.757 58.100 -0.222 0.000 1.111 210 Y CB 1.626 39.910 38.460 -0.293 0.000 1.194 210 Y HN -0.017 nan 8.280 nan 0.000 0.462 211 L N 4.604 125.791 121.223 -0.060 0.000 2.287 211 L HA 0.630 4.969 4.340 -0.001 0.000 0.287 211 L C -1.781 174.982 176.870 -0.178 0.000 1.022 211 L CA -0.506 54.328 54.840 -0.010 0.000 0.814 211 L CB 0.089 42.166 42.059 0.030 0.000 1.217 211 L HN 0.377 nan 8.230 nan 0.000 0.420 212 F N 5.045 125.008 119.950 0.021 0.000 2.458 212 F HA 0.656 5.182 4.527 -0.001 0.000 0.336 212 F C -0.012 175.775 175.800 -0.022 0.000 1.114 212 F CA -0.713 57.283 58.000 -0.006 0.000 0.987 212 F CB 2.028 41.004 39.000 -0.039 0.000 1.130 212 F HN 0.374 nan 8.300 nan 0.000 0.458 213 V N 2.194 122.192 119.914 0.140 0.000 2.604 213 V HA 0.714 4.833 4.120 -0.001 0.000 0.305 213 V C -1.070 175.072 176.094 0.081 0.000 1.043 213 V CA -0.911 61.442 62.300 0.088 0.000 0.888 213 V CB 1.790 33.660 31.823 0.080 0.000 0.995 213 V HN 0.658 nan 8.190 nan 0.000 0.429 214 I N 4.111 124.714 120.570 0.054 0.000 2.378 214 I HA 0.854 5.023 4.170 -0.001 0.000 0.291 214 I C 0.668 176.817 176.117 0.053 0.000 0.992 214 I CA 0.156 61.475 61.300 0.032 0.000 1.154 214 I CB 1.271 39.263 38.000 -0.014 0.000 1.315 214 I HN 0.998 nan 8.210 nan 0.000 0.448 215 G N 5.926 114.751 108.800 0.041 0.000 2.448 215 G HA2 0.287 4.247 3.960 -0.001 0.000 0.285 215 G HA3 0.287 4.247 3.960 -0.001 0.000 0.285 215 G C 0.477 175.378 174.900 0.002 0.000 1.176 215 G CA -0.603 44.541 45.100 0.073 0.000 0.852 215 G HN 0.747 nan 8.290 nan 0.000 0.530 216 R N 0.091 120.631 120.500 0.066 0.000 2.200 216 R HA -0.091 4.248 4.340 -0.001 0.000 0.234 216 R C 1.425 177.598 176.300 -0.211 0.000 1.127 216 R CA 1.427 57.509 56.100 -0.030 0.000 0.989 216 R CB 0.131 30.522 30.300 0.151 0.000 0.869 216 R HN 0.702 nan 8.270 nan 0.000 0.459 217 D N -0.777 119.389 120.400 -0.391 0.000 2.336 217 D HA 0.019 4.658 4.640 -0.001 0.000 0.229 217 D C 1.050 177.164 176.300 -0.311 0.000 1.061 217 D CA 0.761 54.459 54.000 -0.503 0.000 0.875 217 D CB 0.166 40.468 40.800 -0.829 0.000 0.904 217 D HN 0.265 nan 8.370 nan 0.000 0.525 218 G N 0.505 109.167 108.800 -0.229 0.000 2.159 218 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.256 218 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.256 218 G C 0.210 175.017 174.900 -0.156 0.000 0.977 218 G CA 0.274 45.248 45.100 -0.209 0.000 0.652 218 G HN 0.600 nan 8.290 nan 0.000 0.531 219 K N 0.780 121.115 120.400 -0.108 0.000 2.234 219 K HA 0.611 4.930 4.320 -0.001 0.000 0.282 219 K C 0.028 176.633 176.600 0.008 0.000 1.039 219 K CA -0.485 55.781 56.287 -0.034 0.000 0.928 219 K CB 1.316 33.815 32.500 -0.002 0.000 1.039 219 K HN 0.229 nan 8.250 nan 0.000 0.470 220 V N 5.487 125.422 119.914 0.035 0.000 2.417 220 V HA 0.399 4.518 4.120 -0.001 0.000 0.291 220 V C -0.359 175.789 176.094 0.090 0.000 1.024 220 V CA -0.915 61.426 62.300 0.068 0.000 0.861 220 V CB 1.476 33.346 31.823 0.077 0.000 0.985 220 V HN 0.810 nan 8.190 nan 0.000 0.436 221 N N 4.530 123.283 118.700 0.088 0.000 2.342 221 N HA 0.534 5.274 4.740 -0.001 0.000 0.293 221 N C -1.011 174.496 175.510 -0.006 0.000 1.026 221 N CA -0.491 52.598 53.050 0.065 0.000 0.857 221 N CB 2.448 40.978 38.487 0.072 0.000 1.256 221 N HN 0.639 nan 8.380 nan 0.000 0.484 222 M N 3.823 123.373 119.600 -0.084 0.000 2.167 222 M HA 0.482 4.961 4.480 -0.001 0.000 0.333 222 M C -1.497 174.692 176.300 -0.185 0.000 1.030 222 M CA -0.525 54.572 55.300 -0.339 0.000 0.963 222 M CB 0.845 33.193 32.600 -0.419 0.000 1.589 222 M HN 0.424 nan 8.290 nan 0.000 0.431 223 I N 3.899 124.365 120.570 -0.174 0.000 2.406 223 I HA 0.259 4.428 4.170 -0.001 0.000 0.290 223 I C -0.604 175.532 176.117 0.033 0.000 0.999 223 I CA -0.638 60.643 61.300 -0.031 0.000 1.124 223 I CB 1.709 39.710 38.000 0.002 0.000 1.289 223 I HN 0.570 nan 8.210 nan 0.000 0.441 224 D N 6.667 127.108 120.400 0.069 0.000 2.365 224 D HA 0.203 4.842 4.640 -0.001 0.000 0.237 224 D C 0.712 176.979 176.300 -0.055 0.000 1.190 224 D CA 0.001 54.017 54.000 0.026 0.000 0.867 224 D CB 1.099 41.952 40.800 0.089 0.000 1.050 224 D HN 0.445 nan 8.370 nan 0.000 0.491 225 L N 2.912 124.069 121.223 -0.110 0.000 2.552 225 L HA 0.012 4.352 4.340 -0.001 0.000 0.227 225 L C 1.142 178.059 176.870 0.080 0.000 1.146 225 L CA 0.068 54.896 54.840 -0.019 0.000 0.858 225 L CB 0.003 42.089 42.059 0.044 0.000 0.969 225 L HN 0.490 nan 8.230 nan 0.000 0.451 226 W N -0.306 120.854 121.300 -0.234 0.000 3.003 226 W HA 0.157 4.816 4.660 -0.001 0.000 0.257 226 W C 1.096 177.485 176.519 -0.217 0.000 1.308 226 W CA -0.759 56.453 57.345 -0.221 0.000 1.529 226 W CB -0.326 29.016 29.460 -0.196 0.000 1.115 226 W HN 0.006 nan 8.180 nan 0.000 0.659 227 M N 0.710 120.314 119.600 0.007 0.000 2.232 227 M HA 0.013 4.492 4.480 -0.001 0.000 0.321 227 M C 1.853 178.048 176.300 -0.176 0.000 1.101 227 M CA 0.089 55.355 55.300 -0.057 0.000 1.181 227 M CB 0.624 33.201 32.600 -0.038 0.000 1.432 227 M HN -0.333 nan 8.290 nan 0.000 0.457 228 K N 1.575 121.893 120.400 -0.136 0.000 2.044 228 K HA -0.129 4.191 4.320 -0.001 0.000 0.210 228 K C -0.171 176.312 176.600 -0.195 0.000 1.049 228 K CA 1.715 57.908 56.287 -0.157 0.000 0.927 228 K CB 0.219 32.675 32.500 -0.074 0.000 0.713 228 K HN 0.618 nan 8.250 nan 0.000 0.443 229 E N 0.771 120.900 120.200 -0.118 0.000 2.255 229 E HA 0.231 4.581 4.350 -0.001 0.000 0.245 229 E C -2.516 174.046 176.600 -0.064 0.000 0.909 229 E CA -2.203 54.160 56.400 -0.062 0.000 0.747 229 E CB 1.576 31.288 29.700 0.020 0.000 1.215 229 E HN 0.067 nan 8.360 nan 0.000 0.424 230 P HA -0.094 nan 4.420 nan 0.000 0.261 230 P C -0.426 176.889 177.300 0.025 0.000 1.173 230 P CA 0.623 63.690 63.100 -0.055 0.000 0.760 230 P CB 0.722 32.394 31.700 -0.047 0.000 0.783 231 T N 1.414 115.981 114.554 0.022 0.000 2.792 231 T HA 0.324 4.673 4.350 -0.001 0.000 0.303 231 T C -0.897 173.825 174.700 0.037 0.000 1.310 231 T CA -0.530 61.589 62.100 0.031 0.000 1.007 231 T CB 0.690 69.565 68.868 0.012 0.000 1.335 231 T HN 0.112 nan 8.240 nan 0.000 0.504 232 T N 2.402 116.982 114.554 0.043 0.000 2.817 232 T HA 0.236 4.585 4.350 -0.001 0.000 0.295 232 T C 1.623 176.415 174.700 0.153 0.000 0.958 232 T CA 0.239 62.391 62.100 0.087 0.000 1.157 232 T CB 0.423 69.364 68.868 0.121 0.000 0.898 232 T HN 0.647 nan 8.240 nan 0.000 0.536 233 V N 0.669 120.651 119.914 0.113 0.000 3.644 233 V HA 0.727 4.846 4.120 -0.001 0.000 0.267 233 V C 0.559 176.684 176.094 0.052 0.000 1.277 233 V CA 0.308 62.673 62.300 0.108 0.000 1.096 233 V CB -0.736 31.119 31.823 0.054 0.000 0.828 233 V HN 0.952 nan 8.190 nan 0.000 0.446 234 A N 0.786 123.622 122.820 0.027 0.000 2.599 234 A HA 0.751 5.071 4.320 -0.001 0.000 0.294 234 A C -0.947 176.633 177.584 -0.005 0.000 1.055 234 A CA -0.185 51.804 52.037 -0.081 0.000 0.683 234 A CB 1.401 20.396 19.000 -0.008 0.000 1.278 234 A HN 0.676 nan 8.150 nan 0.000 0.412 235 E N 0.804 120.995 120.200 -0.015 0.000 2.413 235 E HA 0.856 5.205 4.350 -0.001 0.000 0.277 235 E C -1.425 175.273 176.600 0.163 0.000 0.958 235 E CA -0.756 55.694 56.400 0.084 0.000 0.779 235 E CB 2.216 31.981 29.700 0.108 0.000 1.278 235 E HN 0.991 nan 8.360 nan 0.000 0.456 236 I N 0.286 120.947 120.570 0.152 0.000 2.882 236 I HA 0.350 4.519 4.170 -0.001 0.000 0.298 236 I C -1.983 174.197 176.117 0.105 0.000 1.462 236 I CA -0.755 60.648 61.300 0.172 0.000 1.000 236 I CB 2.259 40.348 38.000 0.149 0.000 1.340 236 I HN 0.662 nan 8.210 nan 0.000 0.462 237 K N 5.310 125.787 120.400 0.128 0.000 2.182 237 K HA 0.535 4.855 4.320 -0.001 0.000 0.262 237 K C -0.042 176.586 176.600 0.047 0.000 0.957 237 K CA -0.478 55.828 56.287 0.032 0.000 0.842 237 K CB 1.325 33.851 32.500 0.043 0.000 1.099 237 K HN 0.583 nan 8.250 nan 0.000 0.438 238 I N -0.357 120.136 120.570 -0.129 0.000 4.240 238 I HA 0.485 4.655 4.170 -0.001 0.000 0.331 238 I C 0.251 176.226 176.117 -0.237 0.000 1.381 238 I CA -0.247 61.008 61.300 -0.076 0.000 1.136 238 I CB 1.218 39.181 38.000 -0.062 0.000 1.137 238 I HN 0.652 nan 8.210 nan 0.000 0.411 239 G N -0.094 108.339 108.800 -0.611 0.000 2.325 239 G HA2 0.309 4.269 3.960 -0.001 0.000 0.295 239 G HA3 0.309 4.269 3.960 -0.001 0.000 0.295 239 G C -0.359 174.196 174.900 -0.575 0.000 1.274 239 G CA 0.138 44.887 45.100 -0.586 0.000 0.857 239 G HN -0.150 nan 8.290 nan 0.000 0.499 240 S N -0.352 115.185 115.700 -0.272 0.000 2.475 240 S HA 0.308 4.777 4.470 -0.001 0.000 0.224 240 S C 0.167 174.682 174.600 -0.141 0.000 1.042 240 S CA 0.597 58.697 58.200 -0.166 0.000 0.935 240 S CB 0.218 63.442 63.200 0.040 0.000 0.801 240 S HN 0.451 nan 8.310 nan 0.000 0.509 241 E N 0.431 120.590 120.200 -0.068 0.000 2.263 241 E HA 0.720 5.070 4.350 -0.001 0.000 0.268 241 E C -1.103 175.418 176.600 -0.131 0.000 0.884 241 E CA -0.304 56.052 56.400 -0.073 0.000 0.766 241 E CB 2.112 31.858 29.700 0.078 0.000 1.196 241 E HN 0.234 nan 8.360 nan 0.000 0.416 242 A N 2.509 125.178 122.820 -0.252 0.000 2.572 242 A HA 0.725 5.044 4.320 -0.001 0.000 0.295 242 A C -0.063 177.278 177.584 -0.404 0.000 1.072 242 A CA -0.554 51.296 52.037 -0.311 0.000 0.691 242 A CB 1.443 20.324 19.000 -0.198 0.000 1.291 242 A HN 0.429 nan 8.150 nan 0.000 0.404 243 R N -0.094 120.140 120.500 -0.445 0.000 2.555 243 R HA 0.211 4.550 4.340 -0.001 0.000 0.312 243 R C -0.014 176.189 176.300 -0.162 0.000 0.938 243 R CA 0.951 56.817 56.100 -0.391 0.000 1.112 243 R CB 0.478 30.399 30.300 -0.633 0.000 1.535 243 R HN 0.890 nan 8.270 nan 0.000 0.525 244 S N -0.025 115.583 115.700 -0.154 0.000 2.570 244 S HA 0.784 5.253 4.470 -0.001 0.000 0.286 244 S C -0.439 174.077 174.600 -0.141 0.000 1.099 244 S CA -0.748 57.383 58.200 -0.115 0.000 0.913 244 S CB 2.590 65.726 63.200 -0.108 0.000 1.085 244 S HN 0.154 nan 8.310 nan 0.000 0.480 245 I N 0.424 120.898 120.570 -0.160 0.000 2.908 245 I HA 0.746 4.915 4.170 -0.001 0.000 0.300 245 I C -2.098 173.869 176.117 -0.250 0.000 1.385 245 I CA -0.230 60.941 61.300 -0.216 0.000 1.004 245 I CB 2.182 40.087 38.000 -0.158 0.000 1.309 245 I HN 0.909 nan 8.210 nan 0.000 0.449 246 E N 2.913 122.903 120.200 -0.350 0.000 2.430 246 E HA 0.614 4.964 4.350 -0.001 0.000 0.279 246 E C -1.492 174.892 176.600 -0.361 0.000 1.003 246 E CA -0.371 55.851 56.400 -0.297 0.000 0.801 246 E CB 2.062 31.627 29.700 -0.225 0.000 1.313 246 E HN 0.646 nan 8.360 nan 0.000 0.459 247 T N -0.920 113.526 114.554 -0.180 0.000 2.950 247 T HA 0.671 5.020 4.350 -0.001 0.000 0.288 247 T C -0.232 174.562 174.700 0.158 0.000 1.035 247 T CA -0.590 61.436 62.100 -0.123 0.000 1.028 247 T CB 1.085 69.854 68.868 -0.165 0.000 1.109 247 T HN 0.518 nan 8.240 nan 0.000 0.514 248 S N 0.656 116.411 115.700 0.092 0.000 2.510 248 S HA 0.317 4.787 4.470 -0.001 0.000 0.279 248 S C 0.207 174.773 174.600 -0.057 0.000 1.284 248 S CA -0.786 57.344 58.200 -0.117 0.000 1.059 248 S CB 0.489 63.471 63.200 -0.363 0.000 0.901 248 S HN 0.822 nan 8.310 nan 0.000 0.491 249 K N 0.837 121.171 120.400 -0.110 0.000 2.447 249 K HA 0.230 4.549 4.320 -0.001 0.000 0.205 249 K C -0.131 176.337 176.600 -0.221 0.000 1.059 249 K CA -0.332 55.837 56.287 -0.197 0.000 1.065 249 K CB 0.423 32.695 32.500 -0.380 0.000 0.885 249 K HN 0.616 nan 8.250 nan 0.000 0.545 250 M N 2.421 121.981 119.600 -0.066 0.000 2.200 250 M HA 0.062 4.542 4.480 -0.001 0.000 0.355 250 M C -0.024 176.353 176.300 0.128 0.000 1.283 250 M CA -0.100 55.195 55.300 -0.009 0.000 1.124 250 M CB 0.595 33.191 32.600 -0.007 0.000 1.625 250 M HN 0.027 nan 8.290 nan 0.000 0.463 251 E N 3.332 123.572 120.200 0.067 0.000 2.529 251 E HA 0.252 4.602 4.350 -0.001 0.000 0.259 251 E C 0.826 177.493 176.600 0.112 0.000 0.966 251 E CA 1.280 57.719 56.400 0.065 0.000 0.937 251 E CB 0.020 29.735 29.700 0.024 0.000 0.923 251 E HN 0.986 nan 8.360 nan 0.000 0.468 252 G N 3.891 112.700 108.800 0.016 0.000 2.213 252 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.226 252 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.226 252 G C 0.052 174.729 174.900 -0.370 0.000 0.992 252 G CA 0.174 45.179 45.100 -0.159 0.000 0.632 252 G HN 0.648 nan 8.290 nan 0.000 0.511 253 W N 1.881 123.174 121.300 -0.011 0.000 2.771 253 W HA 0.639 5.298 4.660 -0.001 0.000 0.412 253 W C 0.336 176.814 176.519 -0.068 0.000 0.965 253 W CA -0.601 56.738 57.345 -0.010 0.000 2.045 253 W CB 0.501 30.032 29.460 0.119 0.000 1.176 253 W HN 0.133 nan 8.180 nan 0.000 0.634 254 E N 1.196 121.430 120.200 0.056 0.000 2.415 254 E HA -0.025 4.324 4.350 -0.001 0.000 0.263 254 E C 0.697 177.297 176.600 -0.001 0.000 0.995 254 E CA 0.964 57.377 56.400 0.023 0.000 0.915 254 E CB 0.122 29.825 29.700 0.004 0.000 0.951 254 E HN 0.051 nan 8.360 nan 0.000 0.449 255 D N 1.780 122.192 120.400 0.021 0.000 3.059 255 D HA -0.239 4.401 4.640 -0.001 0.000 0.213 255 D C 0.666 176.932 176.300 -0.057 0.000 1.144 255 D CA 1.216 55.237 54.000 0.036 0.000 0.975 255 D CB -0.430 40.410 40.800 0.066 0.000 1.125 255 D HN 0.485 nan 8.370 nan 0.000 0.412 256 K N -1.092 119.238 120.400 -0.118 0.000 2.076 256 K HA -0.025 4.295 4.320 -0.001 0.000 0.204 256 K C 0.428 176.677 176.600 -0.585 0.000 1.051 256 K CA 0.997 57.081 56.287 -0.338 0.000 0.949 256 K CB 0.316 32.657 32.500 -0.266 0.000 0.726 256 K HN 0.164 nan 8.250 nan 0.000 0.443 257 Y N -1.223 119.015 120.300 -0.103 0.000 2.588 257 Y HA 0.542 5.092 4.550 -0.001 0.000 0.343 257 Y C -0.813 174.994 175.900 -0.155 0.000 1.065 257 Y CA -1.511 56.512 58.100 -0.128 0.000 1.038 257 Y CB 2.023 40.370 38.460 -0.187 0.000 1.297 257 Y HN -0.141 nan 8.280 nan 0.000 0.467 258 A N 1.974 124.766 122.820 -0.047 0.000 2.435 258 A HA 0.859 5.179 4.320 -0.001 0.000 0.304 258 A C -1.809 175.529 177.584 -0.411 0.000 1.064 258 A CA -0.756 51.046 52.037 -0.392 0.000 0.727 258 A CB 1.572 20.152 19.000 -0.700 0.000 1.284 258 A HN 0.763 nan 8.150 nan 0.000 0.415 259 I N 0.794 120.966 120.570 -0.664 0.000 2.619 259 I HA 0.764 4.934 4.170 -0.001 0.000 0.292 259 I C -0.426 175.418 176.117 -0.455 0.000 1.100 259 I CA -0.671 60.241 61.300 -0.646 0.000 1.043 259 I CB 1.902 39.176 38.000 -1.210 0.000 1.239 259 I HN 0.911 nan 8.210 nan 0.000 0.420 260 A N 4.713 127.369 122.820 -0.274 0.000 2.401 260 A HA 0.906 5.225 4.320 -0.001 0.000 0.310 260 A C -0.610 176.900 177.584 -0.122 0.000 1.075 260 A CA -0.433 51.487 52.037 -0.194 0.000 0.746 260 A CB 1.642 20.556 19.000 -0.142 0.000 1.277 260 A HN 0.865 nan 8.150 nan 0.000 0.425 261 G N -0.354 108.380 108.800 -0.110 0.000 2.482 261 G HA2 0.764 4.723 3.960 -0.001 0.000 0.317 261 G HA3 0.764 4.723 3.960 -0.001 0.000 0.317 261 G C -0.489 174.380 174.900 -0.053 0.000 1.241 261 G CA 0.096 45.170 45.100 -0.043 0.000 0.967 261 G HN 1.527 nan 8.290 nan 0.000 0.482 262 A N 0.606 123.419 122.820 -0.011 0.000 2.384 262 A HA 0.710 5.029 4.320 -0.001 0.000 0.312 262 A C -0.128 177.561 177.584 0.175 0.000 1.113 262 A CA -0.650 51.384 52.037 -0.005 0.000 0.779 262 A CB 1.184 20.141 19.000 -0.071 0.000 1.307 262 A HN 0.626 nan 8.150 nan 0.000 0.436 263 Y N -0.499 119.802 120.300 0.001 0.000 2.347 263 Y HA 0.146 4.695 4.550 -0.001 0.000 0.294 263 Y C 0.557 176.549 175.900 0.153 0.000 1.117 263 Y CA 0.134 58.279 58.100 0.074 0.000 1.184 263 Y CB 0.288 38.803 38.460 0.091 0.000 1.047 263 Y HN 0.660 nan 8.280 nan 0.000 0.546 264 W N 1.699 123.070 121.300 0.119 0.000 3.211 264 W HA 0.315 4.975 4.660 -0.001 0.000 0.335 264 W C -3.203 173.304 176.519 -0.020 0.000 1.113 264 W CA -2.163 55.203 57.345 0.035 0.000 1.235 264 W CB 2.194 31.652 29.460 -0.003 0.000 1.365 264 W HN -0.156 nan 8.180 nan 0.000 0.476 265 P HA 0.179 nan 4.420 nan 0.000 0.273 265 P C -2.548 174.387 177.300 -0.609 0.000 1.250 265 P CA -0.946 61.345 63.100 -1.347 0.000 0.793 265 P CB 0.286 31.475 31.700 -0.852 0.000 1.011 266 P HA 0.101 nan 4.420 nan 0.000 0.268 266 P C -0.834 176.362 177.300 -0.173 0.000 1.485 266 P CA 0.418 63.395 63.100 -0.206 0.000 1.102 266 P CB -0.361 31.256 31.700 -0.138 0.000 1.501 267 Q N 2.620 122.345 119.800 -0.126 0.000 2.702 267 Q HA 0.472 4.812 4.340 -0.001 0.000 0.289 267 Q C -1.626 174.343 176.000 -0.052 0.000 0.923 267 Q CA -1.098 54.619 55.803 -0.143 0.000 0.787 267 Q CB 1.074 29.689 28.738 -0.207 0.000 1.476 267 Q HN 0.283 nan 8.270 nan 0.000 0.402 268 Y N -1.493 118.742 120.300 -0.108 0.000 2.536 268 Y HA 0.878 5.427 4.550 -0.001 0.000 0.347 268 Y C -1.360 174.460 175.900 -0.134 0.000 1.000 268 Y CA -1.220 56.802 58.100 -0.129 0.000 1.051 268 Y CB 1.867 40.244 38.460 -0.139 0.000 1.259 268 Y HN 0.453 nan 8.280 nan 0.000 0.468 269 V N 3.982 123.923 119.914 0.045 0.000 2.686 269 V HA 0.413 4.533 4.120 -0.001 0.000 0.306 269 V C -0.415 175.649 176.094 -0.051 0.000 1.065 269 V CA -0.983 61.286 62.300 -0.051 0.000 0.894 269 V CB 1.767 33.539 31.823 -0.085 0.000 1.004 269 V HN 0.792 nan 8.190 nan 0.000 0.424 270 I N 5.193 125.729 120.570 -0.056 0.000 2.331 270 I HA 0.520 4.689 4.170 -0.001 0.000 0.292 270 I C -0.192 175.869 176.117 -0.092 0.000 0.998 270 I CA -0.090 61.151 61.300 -0.099 0.000 1.267 270 I CB 1.421 39.356 38.000 -0.108 0.000 1.386 270 I HN 0.496 nan 8.210 nan 0.000 0.476 271 M N 4.562 124.126 119.600 -0.061 0.000 2.662 271 M HA 0.327 4.807 4.480 -0.001 0.000 0.310 271 M C -0.325 176.035 176.300 0.099 0.000 1.204 271 M CA -0.804 54.472 55.300 -0.040 0.000 0.891 271 M CB 1.948 34.491 32.600 -0.095 0.000 1.732 271 M HN 0.448 nan 8.290 nan 0.000 0.467 272 D N 1.041 121.466 120.400 0.042 0.000 2.458 272 D HA 0.021 4.660 4.640 -0.001 0.000 0.243 272 D C 0.856 177.154 176.300 -0.004 0.000 1.146 272 D CA 0.373 54.392 54.000 0.032 0.000 0.877 272 D CB 1.414 42.205 40.800 -0.015 0.000 1.176 272 D HN 0.859 nan 8.370 nan 0.000 0.461 273 G N 3.335 112.096 108.800 -0.065 0.000 2.625 273 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.214 273 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.214 273 G C 1.196 176.061 174.900 -0.058 0.000 1.132 273 G CA 0.324 45.413 45.100 -0.019 0.000 0.782 273 G HN 0.620 nan 8.290 nan 0.000 0.538 274 E N -1.188 118.941 120.200 -0.118 0.000 2.399 274 E HA 0.009 4.359 4.350 -0.001 0.000 0.205 274 E C 2.289 178.802 176.600 -0.146 0.000 0.906 274 E CA 0.885 57.147 56.400 -0.229 0.000 0.998 274 E CB 0.615 30.237 29.700 -0.130 0.000 1.002 274 E HN 0.474 nan 8.360 nan 0.000 0.501 275 T N -2.255 112.298 114.554 -0.001 0.000 2.975 275 T HA 0.232 4.581 4.350 -0.001 0.000 0.257 275 T C 1.093 175.968 174.700 0.292 0.000 1.003 275 T CA -0.268 61.926 62.100 0.156 0.000 0.932 275 T CB 0.435 69.477 68.868 0.289 0.000 1.087 275 T HN 0.118 nan 8.240 nan 0.000 0.512 276 L N 0.293 121.583 121.223 0.111 0.000 4.759 276 L HA -0.154 4.186 4.340 -0.001 0.000 0.419 276 L C 0.343 177.008 176.870 -0.341 0.000 1.093 276 L CA 0.498 55.353 54.840 0.025 0.000 1.037 276 L CB -1.717 40.428 42.059 0.145 0.000 2.095 276 L HN 0.566 nan 8.230 nan 0.000 0.739 277 E N 3.765 123.691 120.200 -0.457 0.000 2.415 277 E HA 0.068 4.418 4.350 -0.001 0.000 0.260 277 E C -1.879 174.356 176.600 -0.609 0.000 1.016 277 E CA -1.358 54.392 56.400 -1.084 0.000 0.924 277 E CB 0.702 30.009 29.700 -0.655 0.000 0.961 277 E HN 0.084 nan 8.360 nan 0.000 0.459 278 P HA -0.013 nan 4.420 nan 0.000 0.271 278 P C -0.469 176.691 177.300 -0.232 0.000 1.233 278 P CA 0.013 62.917 63.100 -0.327 0.000 0.764 278 P CB 1.148 32.678 31.700 -0.284 0.000 0.825 279 K N 2.033 122.346 120.400 -0.145 0.000 2.262 279 K HA 0.129 4.448 4.320 -0.001 0.000 0.200 279 K C 0.577 177.122 176.600 -0.093 0.000 1.058 279 K CA 0.841 57.073 56.287 -0.091 0.000 0.974 279 K CB 0.291 32.778 32.500 -0.022 0.000 0.910 279 K HN 0.313 nan 8.250 nan 0.000 0.484 280 K N 0.722 121.059 120.400 -0.106 0.000 2.535 280 K HA 0.431 4.750 4.320 -0.001 0.000 0.251 280 K C -1.596 174.914 176.600 -0.150 0.000 0.942 280 K CA -0.178 56.042 56.287 -0.113 0.000 0.798 280 K CB 1.282 33.726 32.500 -0.093 0.000 1.267 280 K HN -0.111 nan 8.250 nan 0.000 0.434 281 I N 3.778 124.238 120.570 -0.183 0.000 2.406 281 I HA 0.403 4.572 4.170 -0.001 0.000 0.290 281 I C -0.539 175.372 176.117 -0.343 0.000 0.999 281 I CA -0.856 60.295 61.300 -0.249 0.000 1.124 281 I CB 1.870 39.763 38.000 -0.178 0.000 1.289 281 I HN 0.342 nan 8.210 nan 0.000 0.441 282 Q N 3.883 123.320 119.800 -0.604 0.000 2.337 282 Q HA 0.372 4.711 4.340 -0.001 0.000 0.270 282 Q C -0.729 174.960 176.000 -0.518 0.000 1.043 282 Q CA -0.513 54.912 55.803 -0.629 0.000 0.794 282 Q CB 2.700 30.862 28.738 -0.960 0.000 1.281 282 Q HN 0.674 nan 8.270 nan 0.000 0.446 283 S N 0.556 116.090 115.700 -0.276 0.000 2.565 283 S HA 0.242 4.712 4.470 -0.001 0.000 0.274 283 S C 0.900 175.439 174.600 -0.102 0.000 1.309 283 S CA 0.014 58.110 58.200 -0.174 0.000 1.043 283 S CB 0.512 63.648 63.200 -0.107 0.000 0.939 283 S HN 0.654 nan 8.310 nan 0.000 0.504 284 T N 1.892 116.412 114.554 -0.057 0.000 3.069 284 T HA 0.306 4.656 4.350 -0.001 0.000 0.252 284 T C 0.547 175.249 174.700 0.003 0.000 1.053 284 T CA -0.313 61.791 62.100 0.005 0.000 0.964 284 T CB -0.150 68.738 68.868 0.033 0.000 1.005 284 T HN 0.570 nan 8.240 nan 0.000 0.532 285 R N 1.087 121.591 120.500 0.008 0.000 2.570 285 R HA 0.532 4.871 4.340 -0.001 0.000 0.277 285 R C 0.787 177.146 176.300 0.098 0.000 1.039 285 R CA 0.805 56.929 56.100 0.039 0.000 1.065 285 R CB 0.378 30.752 30.300 0.123 0.000 0.964 285 R HN 0.560 nan 8.270 nan 0.000 0.428 286 G N 1.466 110.301 108.800 0.060 0.000 2.348 286 G HA2 0.215 4.174 3.960 -0.001 0.000 0.296 286 G HA3 0.215 4.174 3.960 -0.001 0.000 0.296 286 G C -1.488 173.472 174.900 0.101 0.000 1.258 286 G CA -0.936 44.251 45.100 0.145 0.000 0.868 286 G HN 0.231 nan 8.290 nan 0.000 0.488 287 M N 1.886 121.558 119.600 0.120 0.000 2.277 287 M HA 0.385 4.865 4.480 -0.001 0.000 0.350 287 M C 0.883 177.212 176.300 0.048 0.000 1.180 287 M CA -0.692 54.666 55.300 0.096 0.000 1.103 287 M CB 0.468 33.123 32.600 0.092 0.000 1.577 287 M HN 0.767 nan 8.290 nan 0.000 0.459 288 T N -0.064 114.507 114.554 0.029 0.000 2.930 288 T HA 0.119 4.468 4.350 -0.001 0.000 0.306 288 T C 1.060 175.757 174.700 -0.005 0.000 1.045 288 T CA -0.410 61.693 62.100 0.005 0.000 1.134 288 T CB 0.225 69.078 68.868 -0.024 0.000 0.961 288 T HN 0.671 nan 8.240 nan 0.000 0.545 289 Y N 2.391 122.660 120.300 -0.051 0.000 2.207 289 Y HA -0.142 4.408 4.550 -0.001 0.000 0.287 289 Y C 1.687 177.573 175.900 -0.023 0.000 1.156 289 Y CA 1.738 59.817 58.100 -0.036 0.000 1.182 289 Y CB -0.787 37.644 38.460 -0.048 0.000 0.979 289 Y HN 0.708 nan 8.280 nan 0.000 0.521 290 D N -0.020 119.646 120.400 -1.223 0.000 2.214 290 D HA -0.124 4.516 4.640 -0.001 0.000 0.217 290 D C 1.458 177.537 176.300 -0.367 0.000 0.973 290 D CA 1.544 54.996 54.000 -0.913 0.000 0.880 290 D CB -0.864 39.346 40.800 -0.985 0.000 1.031 290 D HN 0.610 nan 8.370 nan 0.000 0.468 291 E N -0.003 120.045 120.200 -0.252 0.000 2.442 291 E HA 0.025 4.374 4.350 -0.001 0.000 0.195 291 E C -0.068 176.488 176.600 -0.073 0.000 1.030 291 E CA -0.058 56.270 56.400 -0.121 0.000 0.869 291 E CB -0.009 29.648 29.700 -0.071 0.000 0.857 291 E HN 0.259 nan 8.360 nan 0.000 0.505 292 Q N 1.053 120.807 119.800 -0.076 0.000 2.443 292 Q HA -0.228 4.111 4.340 -0.001 0.000 0.337 292 Q C -0.438 175.574 176.000 0.019 0.000 1.401 292 Q CA 0.733 56.525 55.803 -0.019 0.000 0.943 292 Q CB -1.553 27.173 28.738 -0.019 0.000 1.177 292 Q HN 0.368 nan 8.270 nan 0.000 0.394 293 E N 0.347 120.567 120.200 0.033 0.000 2.212 293 E HA 0.330 4.680 4.350 -0.001 0.000 0.268 293 E C -1.036 175.633 176.600 0.115 0.000 0.902 293 E CA -0.901 55.540 56.400 0.068 0.000 0.779 293 E CB 1.040 30.765 29.700 0.042 0.000 1.172 293 E HN 0.227 nan 8.360 nan 0.000 0.409 294 Y N 4.039 124.354 120.300 0.025 0.000 2.620 294 Y HA 0.047 4.596 4.550 -0.001 0.000 0.330 294 Y C -0.854 175.078 175.900 0.054 0.000 1.186 294 Y CA 0.363 58.487 58.100 0.040 0.000 1.467 294 Y CB 0.371 38.843 38.460 0.020 0.000 1.262 294 Y HN 0.465 nan 8.280 nan 0.000 0.550 295 H N 8.980 127.607 119.070 -0.738 0.000 2.646 295 H HA 0.271 4.826 4.556 -0.001 0.000 0.328 295 H C -2.144 172.689 175.328 -0.826 0.000 0.998 295 H CA -2.383 53.326 56.048 -0.565 0.000 1.225 295 H CB 2.218 31.820 29.762 -0.266 0.000 1.457 295 H HN 0.513 nan 8.280 nan 0.000 0.505 296 P HA 0.012 nan 4.420 nan 0.000 0.245 296 P C 0.144 177.507 177.300 0.106 0.000 1.212 296 P CA 0.629 63.612 63.100 -0.196 0.000 0.774 296 P CB 0.717 32.421 31.700 0.006 0.000 0.999 297 E N 0.469 120.828 120.200 0.266 0.000 3.832 297 E HA 0.269 4.618 4.350 -0.001 0.000 0.250 297 E C -2.725 173.985 176.600 0.184 0.000 1.215 297 E CA -1.837 54.744 56.400 0.302 0.000 1.179 297 E CB 0.969 30.898 29.700 0.381 0.000 1.270 297 E HN 0.075 nan 8.360 nan 0.000 0.405 298 P HA 0.218 nan 4.420 nan 0.000 0.288 298 P C -0.829 176.445 177.300 -0.043 0.000 1.363 298 P CA -0.311 62.724 63.100 -0.108 0.000 0.837 298 P CB 0.384 32.003 31.700 -0.135 0.000 0.981 299 R N 1.869 122.336 120.500 -0.055 0.000 2.590 299 R HA 0.262 4.601 4.340 -0.001 0.000 0.274 299 R C -0.089 176.242 176.300 0.053 0.000 1.061 299 R CA -0.617 55.473 56.100 -0.017 0.000 1.081 299 R CB 0.384 30.519 30.300 -0.275 0.000 0.984 299 R HN 0.231 nan 8.270 nan 0.000 0.448 300 V N 3.276 123.281 119.914 0.152 0.000 2.488 300 V HA 0.210 4.329 4.120 -0.001 0.000 0.277 300 V C 0.750 176.959 176.094 0.192 0.000 1.046 300 V CA 0.233 62.605 62.300 0.120 0.000 0.986 300 V CB 0.889 32.764 31.823 0.087 0.000 0.989 300 V HN 1.008 nan 8.190 nan 0.000 0.475 301 A N 5.019 127.906 122.820 0.112 0.000 3.711 301 A HA 0.886 5.206 4.320 -0.001 0.000 0.185 301 A C 0.922 178.496 177.584 -0.016 0.000 1.697 301 A CA 0.230 52.325 52.037 0.097 0.000 1.787 301 A CB -0.463 18.578 19.000 0.070 0.000 1.545 301 A HN 1.069 nan 8.150 nan 0.000 0.553 302 A N -0.493 122.289 122.820 -0.063 0.000 2.462 302 A HA 0.520 4.839 4.320 -0.001 0.000 0.243 302 A C -0.347 177.196 177.584 -0.068 0.000 1.076 302 A CA 0.321 52.328 52.037 -0.051 0.000 0.773 302 A CB -0.509 18.495 19.000 0.007 0.000 1.010 302 A HN 0.500 nan 8.150 nan 0.000 0.493 303 I N 2.129 122.631 120.570 -0.113 0.000 2.466 303 I HA 0.367 4.537 4.170 -0.001 0.000 0.289 303 I C -0.900 175.116 176.117 -0.168 0.000 1.026 303 I CA -0.370 60.820 61.300 -0.184 0.000 1.078 303 I CB 1.670 39.520 38.000 -0.249 0.000 1.249 303 I HN 0.467 nan 8.210 nan 0.000 0.429 304 L N 4.929 126.025 121.223 -0.212 0.000 2.256 304 L HA 0.875 5.214 4.340 -0.001 0.000 0.261 304 L C -0.206 176.635 176.870 -0.049 0.000 1.022 304 L CA -0.493 54.257 54.840 -0.150 0.000 0.828 304 L CB 1.880 43.784 42.059 -0.259 0.000 1.374 304 L HN 0.644 nan 8.230 nan 0.000 0.436 305 A N 0.115 122.936 122.820 0.002 0.000 2.343 305 A HA 0.683 5.003 4.320 -0.001 0.000 0.316 305 A C -0.529 177.009 177.584 -0.075 0.000 1.104 305 A CA -0.447 51.601 52.037 0.019 0.000 0.768 305 A CB 1.424 20.439 19.000 0.026 0.000 1.213 305 A HN 0.507 nan 8.150 nan 0.000 0.456 306 S N 0.394 116.023 115.700 -0.118 0.000 2.576 306 S HA 0.206 4.675 4.470 -0.001 0.000 0.276 306 S C 0.558 175.100 174.600 -0.098 0.000 1.339 306 S CA -0.201 57.964 58.200 -0.060 0.000 1.039 306 S CB 0.066 63.196 63.200 -0.116 0.000 0.902 306 S HN 0.717 nan 8.310 nan 0.000 0.516 307 H N 3.005 122.086 119.070 0.019 0.000 2.705 307 H HA 0.129 4.684 4.556 -0.001 0.000 0.269 307 H C 0.177 175.458 175.328 -0.079 0.000 0.998 307 H CA 0.388 56.428 56.048 -0.013 0.000 1.193 307 H CB 0.396 30.164 29.762 0.010 0.000 1.485 307 H HN 0.699 nan 8.280 nan 0.000 0.521 308 Y N 0.433 120.738 120.300 0.009 0.000 2.535 308 Y HA 0.246 4.795 4.550 -0.001 0.000 0.266 308 Y C 0.663 176.509 175.900 -0.089 0.000 1.088 308 Y CA 0.247 58.326 58.100 -0.035 0.000 1.285 308 Y CB 0.918 39.342 38.460 -0.060 0.000 1.166 308 Y HN -0.146 nan 8.280 nan 0.000 0.525 309 R N 0.234 120.721 120.500 -0.023 0.000 2.740 309 R HA 0.297 4.637 4.340 -0.001 0.000 0.273 309 R C -2.836 173.249 176.300 -0.359 0.000 0.998 309 R CA -2.043 53.957 56.100 -0.166 0.000 0.900 309 R CB 1.528 31.728 30.300 -0.166 0.000 1.223 309 R HN -0.285 nan 8.270 nan 0.000 0.466 310 P HA 0.070 nan 4.420 nan 0.000 0.241 310 P C -1.141 175.158 177.300 -1.668 0.000 1.760 310 P CA 0.379 62.769 63.100 -1.185 0.000 1.081 310 P CB 0.150 31.016 31.700 -1.390 0.000 1.975 311 E N 0.784 120.349 120.200 -1.058 0.000 2.367 311 E HA 0.514 4.864 4.350 -0.001 0.000 0.273 311 E C -0.943 175.386 176.600 -0.452 0.000 0.903 311 E CA -0.784 55.164 56.400 -0.754 0.000 0.764 311 E CB 1.361 30.802 29.700 -0.431 0.000 1.252 311 E HN 0.050 nan 8.360 nan 0.000 0.446 312 F N 1.024 120.889 119.950 -0.142 0.000 2.425 312 F HA 0.480 5.006 4.527 -0.001 0.000 0.331 312 F C 0.136 175.777 175.800 -0.265 0.000 1.085 312 F CA -0.751 57.151 58.000 -0.163 0.000 1.028 312 F CB 0.938 39.828 39.000 -0.183 0.000 1.177 312 F HN 0.229 nan 8.300 nan 0.000 0.487 313 I N 3.328 123.838 120.570 -0.099 0.000 2.354 313 I HA 0.361 4.530 4.170 -0.001 0.000 0.286 313 I C -1.096 174.847 176.117 -0.289 0.000 1.007 313 I CA -0.631 60.500 61.300 -0.281 0.000 1.167 313 I CB 1.172 38.846 38.000 -0.543 0.000 1.320 313 I HN 0.117 nan 8.210 nan 0.000 0.458 314 V N 5.730 125.496 119.914 -0.247 0.000 2.384 314 V HA 0.344 4.463 4.120 -0.001 0.000 0.287 314 V C -0.068 175.957 176.094 -0.115 0.000 1.020 314 V CA -0.797 61.365 62.300 -0.229 0.000 0.850 314 V CB 1.456 33.060 31.823 -0.366 0.000 0.987 314 V HN 0.583 nan 8.190 nan 0.000 0.436 315 N N 3.158 121.828 118.700 -0.050 0.000 2.444 315 N HA 0.409 5.149 4.740 -0.001 0.000 0.271 315 N C -0.610 174.896 175.510 -0.005 0.000 1.069 315 N CA -0.154 52.905 53.050 0.015 0.000 0.965 315 N CB 1.865 40.396 38.487 0.073 0.000 1.092 315 N HN 0.444 nan 8.380 nan 0.000 0.476 316 V N 3.717 123.619 119.914 -0.020 0.000 2.313 316 V HA 0.171 4.290 4.120 -0.001 0.000 0.278 316 V C 1.563 177.614 176.094 -0.071 0.000 1.017 316 V CA -0.701 61.580 62.300 -0.032 0.000 0.823 316 V CB 1.233 33.037 31.823 -0.031 0.000 1.010 316 V HN 0.677 nan 8.190 nan 0.000 0.443 317 K N 3.502 123.865 120.400 -0.061 0.000 1.971 317 K HA -0.231 4.088 4.320 -0.001 0.000 0.221 317 K C 1.686 178.120 176.600 -0.276 0.000 1.050 317 K CA 2.424 58.657 56.287 -0.090 0.000 0.967 317 K CB 0.129 32.623 32.500 -0.010 0.000 0.733 317 K HN 0.695 nan 8.250 nan 0.000 0.445 318 E N -0.367 119.614 120.200 -0.365 0.000 2.153 318 E HA -0.134 4.215 4.350 -0.001 0.000 0.194 318 E C 1.798 178.052 176.600 -0.576 0.000 0.988 318 E CA 1.906 57.923 56.400 -0.638 0.000 0.811 318 E CB -0.114 29.070 29.700 -0.861 0.000 0.746 318 E HN 0.642 nan 8.360 nan 0.000 0.466 319 T N -3.626 110.712 114.554 -0.360 0.000 3.081 319 T HA 0.225 4.575 4.350 -0.001 0.000 0.255 319 T C 1.502 176.172 174.700 -0.050 0.000 1.113 319 T CA 0.208 62.201 62.100 -0.177 0.000 1.082 319 T CB 0.202 69.010 68.868 -0.101 0.000 0.939 319 T HN 0.230 nan 8.240 nan 0.000 0.506 320 G N 1.593 110.311 108.800 -0.137 0.000 2.272 320 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.280 320 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.280 320 G C -0.320 174.473 174.900 -0.179 0.000 1.067 320 G CA 0.006 45.009 45.100 -0.162 0.000 0.902 320 G HN 0.665 nan 8.290 nan 0.000 0.500 321 K N -0.738 119.599 120.400 -0.105 0.000 2.371 321 K HA 0.715 5.034 4.320 -0.001 0.000 0.251 321 K C -0.067 176.498 176.600 -0.060 0.000 0.934 321 K CA -0.941 55.300 56.287 -0.076 0.000 0.798 321 K CB 2.062 34.547 32.500 -0.025 0.000 1.204 321 K HN 0.176 nan 8.250 nan 0.000 0.427 322 I N 4.033 124.571 120.570 -0.053 0.000 2.378 322 I HA 0.312 4.481 4.170 -0.001 0.000 0.291 322 I C -0.705 175.384 176.117 -0.046 0.000 0.992 322 I CA -0.821 60.465 61.300 -0.024 0.000 1.154 322 I CB 1.096 39.112 38.000 0.026 0.000 1.315 322 I HN 0.303 nan 8.210 nan 0.000 0.448 323 L N 6.970 128.149 121.223 -0.073 0.000 2.307 323 L HA 0.528 4.867 4.340 -0.001 0.000 0.284 323 L C -0.594 176.198 176.870 -0.130 0.000 1.023 323 L CA -0.644 54.142 54.840 -0.091 0.000 0.810 323 L CB 1.427 43.428 42.059 -0.096 0.000 1.231 323 L HN 0.415 nan 8.230 nan 0.000 0.423 324 L N 4.610 125.764 121.223 -0.115 0.000 2.277 324 L HA 0.409 4.748 4.340 -0.001 0.000 0.284 324 L C -0.581 176.204 176.870 -0.140 0.000 1.028 324 L CA -0.649 54.107 54.840 -0.140 0.000 0.835 324 L CB 1.584 43.564 42.059 -0.132 0.000 1.215 324 L HN 0.322 nan 8.230 nan 0.000 0.425 325 V N 2.143 121.968 119.914 -0.148 0.000 2.318 325 V HA 0.141 4.260 4.120 -0.001 0.000 0.271 325 V C 0.175 176.145 176.094 -0.207 0.000 1.030 325 V CA -0.591 61.638 62.300 -0.119 0.000 0.844 325 V CB 1.430 33.206 31.823 -0.078 0.000 1.015 325 V HN 0.604 nan 8.190 nan 0.000 0.460 326 D N 4.509 124.757 120.400 -0.254 0.000 2.339 326 D HA 0.063 4.703 4.640 -0.001 0.000 0.256 326 D C 0.260 176.327 176.300 -0.390 0.000 1.214 326 D CA -0.247 53.496 54.000 -0.429 0.000 0.877 326 D CB 1.161 41.770 40.800 -0.319 0.000 1.111 326 D HN 0.661 nan 8.370 nan 0.000 0.478 327 Y N 1.036 121.059 120.300 -0.462 0.000 2.532 327 Y HA 0.163 4.712 4.550 -0.001 0.000 0.283 327 Y C 1.822 177.441 175.900 -0.467 0.000 1.181 327 Y CA -0.128 57.676 58.100 -0.493 0.000 1.256 327 Y CB -0.660 37.424 38.460 -0.627 0.000 1.112 327 Y HN 0.223 nan 8.280 nan 0.000 0.521 328 T N -3.542 110.771 114.554 -0.402 0.000 3.055 328 T HA -0.006 4.344 4.350 -0.001 0.000 0.265 328 T C 0.111 174.835 174.700 0.040 0.000 1.111 328 T CA 0.850 62.825 62.100 -0.207 0.000 1.118 328 T CB 0.013 68.768 68.868 -0.189 0.000 0.909 328 T HN 0.304 nan 8.240 nan 0.000 0.501 329 D N -0.137 120.248 120.400 -0.025 0.000 2.470 329 D HA 0.259 4.898 4.640 -0.001 0.000 0.233 329 D C 0.515 176.803 176.300 -0.021 0.000 1.372 329 D CA -0.501 53.507 54.000 0.014 0.000 0.994 329 D CB 1.050 41.851 40.800 0.003 0.000 1.377 329 D HN 0.135 nan 8.370 nan 0.000 0.586 330 L N 2.679 123.898 121.223 -0.007 0.000 2.418 330 L HA 0.129 4.469 4.340 -0.001 0.000 0.218 330 L C 1.475 178.331 176.870 -0.024 0.000 1.125 330 L CA 0.468 55.287 54.840 -0.034 0.000 0.835 330 L CB -0.071 41.961 42.059 -0.046 0.000 0.953 330 L HN 0.265 nan 8.230 nan 0.000 0.454 331 N N -0.333 118.362 118.700 -0.009 0.000 2.336 331 N HA -0.014 4.725 4.740 -0.001 0.000 0.177 331 N C 0.388 175.889 175.510 -0.016 0.000 1.018 331 N CA 0.437 53.480 53.050 -0.011 0.000 0.878 331 N CB 0.295 38.782 38.487 -0.001 0.000 0.997 331 N HN 0.194 nan 8.380 nan 0.000 0.433 332 N N 1.456 120.147 118.700 -0.015 0.000 3.112 332 N HA 0.120 4.860 4.740 -0.001 0.000 0.270 332 N C -1.289 174.203 175.510 -0.029 0.000 1.385 332 N CA -0.275 52.764 53.050 -0.019 0.000 0.986 332 N CB 1.013 39.492 38.487 -0.014 0.000 1.261 332 N HN 0.115 nan 8.380 nan 0.000 0.495 333 L N 1.452 122.656 121.223 -0.031 0.000 2.433 333 L HA 0.104 4.443 4.340 -0.001 0.000 0.275 333 L C 0.615 177.461 176.870 -0.041 0.000 1.128 333 L CA 0.297 55.114 54.840 -0.038 0.000 0.875 333 L CB 0.199 42.241 42.059 -0.027 0.000 1.171 333 L HN 0.142 nan 8.230 nan 0.000 0.463 334 K N 4.009 124.372 120.400 -0.061 0.000 2.211 334 K HA 0.552 4.871 4.320 -0.001 0.000 0.275 334 K C -0.805 175.752 176.600 -0.072 0.000 1.024 334 K CA -0.287 55.960 56.287 -0.066 0.000 0.887 334 K CB 0.784 33.233 32.500 -0.085 0.000 1.084 334 K HN 0.785 nan 8.250 nan 0.000 0.463 335 T N -0.277 114.245 114.554 -0.053 0.000 2.903 335 T HA 0.387 4.736 4.350 -0.001 0.000 0.299 335 T C -0.750 173.920 174.700 -0.050 0.000 1.093 335 T CA -0.782 61.287 62.100 -0.052 0.000 1.002 335 T CB 1.764 70.624 68.868 -0.013 0.000 1.127 335 T HN 0.348 nan 8.240 nan 0.000 0.488 336 T N 1.974 116.492 114.554 -0.060 0.000 2.833 336 T HA 0.428 4.777 4.350 -0.001 0.000 0.297 336 T C -0.688 173.985 174.700 -0.044 0.000 1.015 336 T CA -0.580 61.488 62.100 -0.053 0.000 0.963 336 T CB 1.172 70.000 68.868 -0.067 0.000 0.955 336 T HN 0.790 nan 8.240 nan 0.000 0.449 337 E N 4.613 124.797 120.200 -0.028 0.000 2.046 337 E HA 0.314 4.663 4.350 -0.001 0.000 0.279 337 E C -0.647 175.940 176.600 -0.022 0.000 0.989 337 E CA -0.464 55.924 56.400 -0.019 0.000 0.798 337 E CB 0.400 30.100 29.700 -0.001 0.000 1.086 337 E HN 0.583 nan 8.360 nan 0.000 0.399 338 I N 3.431 123.979 120.570 -0.036 0.000 2.325 338 I HA 0.093 4.262 4.170 -0.001 0.000 0.291 338 I C 0.213 176.293 176.117 -0.062 0.000 1.019 338 I CA -0.458 60.813 61.300 -0.047 0.000 1.302 338 I CB 1.604 39.568 38.000 -0.060 0.000 1.401 338 I HN 0.375 nan 8.210 nan 0.000 0.485 339 S N 5.342 121.016 115.700 -0.043 0.000 2.465 339 S HA 0.394 4.864 4.470 -0.001 0.000 0.280 339 S C 0.603 175.051 174.600 -0.253 0.000 1.232 339 S CA -0.324 57.844 58.200 -0.053 0.000 1.066 339 S CB 1.087 64.366 63.200 0.131 0.000 0.929 339 S HN 0.793 nan 8.310 nan 0.000 0.494 340 A N 3.635 126.154 122.820 -0.501 0.000 2.713 340 A HA 0.781 5.100 4.320 -0.001 0.000 0.212 340 A C 0.080 177.129 177.584 -0.891 0.000 2.263 340 A CA -0.089 51.636 52.037 -0.520 0.000 1.645 340 A CB 0.072 18.880 19.000 -0.320 0.000 1.159 340 A HN 0.599 nan 8.150 nan 0.000 0.394 341 E N -0.534 119.238 120.200 -0.712 0.000 2.375 341 E HA 0.466 4.815 4.350 -0.001 0.000 0.280 341 E C -1.209 175.235 176.600 -0.260 0.000 0.972 341 E CA -0.497 55.585 56.400 -0.530 0.000 0.782 341 E CB 1.111 30.693 29.700 -0.196 0.000 1.229 341 E HN 0.424 nan 8.360 nan 0.000 0.439 342 R N 2.257 122.736 120.500 -0.035 0.000 2.643 342 R HA 0.332 4.671 4.340 -0.001 0.000 0.270 342 R C -0.344 175.887 176.300 -0.114 0.000 1.061 342 R CA 0.206 56.188 56.100 -0.195 0.000 1.107 342 R CB 0.043 30.153 30.300 -0.317 0.000 0.999 342 R HN 0.665 nan 8.270 nan 0.000 0.460 343 F N -1.026 118.925 119.950 0.002 0.000 3.023 343 F HA -0.205 4.322 4.527 -0.001 0.000 0.297 343 F C -0.056 175.761 175.800 0.029 0.000 0.858 343 F CA -0.137 57.868 58.000 0.007 0.000 1.222 343 F CB -1.978 37.028 39.000 0.010 0.000 1.263 343 F HN 0.423 nan 8.300 nan 0.000 0.565 344 L N 0.291 121.563 121.223 0.083 0.000 2.485 344 L HA 0.191 4.530 4.340 -0.001 0.000 0.275 344 L C 1.348 178.327 176.870 0.181 0.000 1.207 344 L CA 0.526 55.413 54.840 0.078 0.000 0.855 344 L CB 0.710 42.774 42.059 0.007 0.000 1.114 344 L HN 0.380 nan 8.230 nan 0.000 0.485 345 H N 0.686 119.791 119.070 0.059 0.000 4.819 345 H HA 0.198 4.753 4.556 -0.001 0.000 0.100 345 H C -0.656 174.720 175.328 0.080 0.000 1.259 345 H CA 0.217 56.315 56.048 0.083 0.000 0.709 345 H CB 0.512 30.328 29.762 0.089 0.000 1.480 345 H HN 0.720 nan 8.280 nan 0.000 0.183 346 D N -0.143 120.233 120.400 -0.040 0.000 2.442 346 D HA 0.574 5.214 4.640 -0.001 0.000 0.254 346 D C 0.370 176.702 176.300 0.055 0.000 1.069 346 D CA -0.334 53.632 54.000 -0.057 0.000 1.017 346 D CB 1.875 42.602 40.800 -0.122 0.000 1.172 346 D HN 0.707 nan 8.370 nan 0.000 0.561 347 G N -2.683 106.208 108.800 0.152 0.000 2.320 347 G HA2 0.599 4.559 3.960 -0.001 0.000 0.296 347 G HA3 0.599 4.559 3.960 -0.001 0.000 0.296 347 G C -1.161 173.973 174.900 0.390 0.000 1.306 347 G CA -0.323 44.898 45.100 0.202 0.000 0.836 347 G HN 0.887 nan 8.290 nan 0.000 0.517 348 G N -1.506 107.552 108.800 0.430 0.000 2.649 348 G HA2 0.672 4.631 3.960 -0.001 0.000 0.290 348 G HA3 0.672 4.631 3.960 -0.001 0.000 0.290 348 G C -1.064 174.173 174.900 0.561 0.000 1.426 348 G CA -0.862 44.592 45.100 0.589 0.000 0.794 348 G HN 0.734 nan 8.290 nan 0.000 0.483 349 L N 1.184 122.796 121.223 0.648 0.000 2.421 349 L HA 0.339 4.678 4.340 -0.001 0.000 0.263 349 L C 0.748 177.845 176.870 0.379 0.000 1.122 349 L CA -1.047 54.042 54.840 0.414 0.000 0.804 349 L CB 0.948 43.201 42.059 0.324 0.000 1.150 349 L HN 0.765 nan 8.230 nan 0.000 0.457 350 D N 1.005 121.565 120.400 0.267 0.000 2.380 350 D HA -0.004 4.635 4.640 -0.001 0.000 0.254 350 D C 1.132 177.526 176.300 0.158 0.000 1.288 350 D CA 0.022 54.179 54.000 0.262 0.000 1.008 350 D CB 0.798 41.768 40.800 0.284 0.000 1.099 350 D HN 0.604 nan 8.370 nan 0.000 0.537 351 G N -0.635 108.220 108.800 0.093 0.000 2.442 351 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.219 351 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.219 351 G C 1.501 176.275 174.900 -0.210 0.000 1.141 351 G CA 1.434 46.493 45.100 -0.068 0.000 0.763 351 G HN 0.596 nan 8.290 nan 0.000 0.554 352 S N -1.182 114.486 115.700 -0.053 0.000 2.562 352 S HA 0.058 4.528 4.470 -0.001 0.000 0.221 352 S C 1.027 175.651 174.600 0.041 0.000 0.975 352 S CA 0.849 59.032 58.200 -0.028 0.000 0.918 352 S CB -0.510 62.751 63.200 0.101 0.000 0.772 352 S HN 0.690 nan 8.310 nan 0.000 0.531 353 H N -0.404 118.676 119.070 0.017 0.000 3.211 353 H HA -0.174 4.382 4.556 -0.001 0.000 0.240 353 H C 1.427 176.790 175.328 0.058 0.000 1.148 353 H CA 0.911 56.936 56.048 -0.038 0.000 1.160 353 H CB -0.999 28.592 29.762 -0.284 0.000 1.232 353 H HN 0.495 nan 8.280 nan 0.000 0.321 354 R N 0.282 120.786 120.500 0.006 0.000 2.128 354 R HA 0.073 4.413 4.340 -0.001 0.000 0.211 354 R C -0.244 175.698 176.300 -0.596 0.000 1.067 354 R CA 0.596 56.351 56.100 -0.576 0.000 1.010 354 R CB 0.490 30.185 30.300 -1.008 0.000 0.922 354 R HN 0.168 nan 8.270 nan 0.000 0.457 355 Y N -0.306 119.988 120.300 -0.010 0.000 2.360 355 Y HA 0.297 4.846 4.550 -0.001 0.000 0.337 355 Y C -0.661 175.254 175.900 0.025 0.000 1.039 355 Y CA -1.340 56.738 58.100 -0.037 0.000 1.109 355 Y CB 1.209 39.657 38.460 -0.021 0.000 1.201 355 Y HN -0.095 nan 8.280 nan 0.000 0.458 356 F N 4.951 124.865 119.950 -0.060 0.000 2.404 356 F HA 0.625 5.151 4.527 -0.001 0.000 0.354 356 F C -0.971 174.689 175.800 -0.234 0.000 1.122 356 F CA -1.957 55.978 58.000 -0.108 0.000 1.080 356 F CB 0.262 39.205 39.000 -0.096 0.000 1.131 356 F HN 0.336 nan 8.300 nan 0.000 0.471 357 I N 5.795 125.943 120.570 -0.702 0.000 2.382 357 I HA 0.325 4.495 4.170 -0.001 0.000 0.286 357 I C -0.170 175.314 176.117 -1.055 0.000 1.002 357 I CA -0.430 60.283 61.300 -0.979 0.000 1.135 357 I CB 1.860 39.040 38.000 -1.367 0.000 1.288 357 I HN 0.575 nan 8.210 nan 0.000 0.448 358 T N 4.669 118.678 114.554 -0.908 0.000 2.900 358 T HA 0.747 5.097 4.350 -0.001 0.000 0.295 358 T C -0.820 173.715 174.700 -0.274 0.000 1.044 358 T CA -0.505 61.227 62.100 -0.612 0.000 0.995 358 T CB 1.517 69.896 68.868 -0.815 0.000 1.072 358 T HN 0.612 nan 8.240 nan 0.000 0.473 359 A N 2.524 125.289 122.820 -0.092 0.000 2.289 359 A HA 0.722 5.041 4.320 -0.001 0.000 0.298 359 A C 0.492 178.091 177.584 0.026 0.000 1.208 359 A CA -0.385 51.649 52.037 -0.005 0.000 0.845 359 A CB 0.164 19.193 19.000 0.050 0.000 1.125 359 A HN 1.147 nan 8.150 nan 0.000 0.517 360 A N 3.520 126.356 122.820 0.025 0.000 3.000 360 A HA 0.378 4.697 4.320 -0.001 0.000 0.315 360 A C 1.092 178.742 177.584 0.110 0.000 1.434 360 A CA -0.287 51.795 52.037 0.075 0.000 1.108 360 A CB -0.766 18.256 19.000 0.037 0.000 1.171 360 A HN 1.025 nan 8.150 nan 0.000 0.524 361 N N 2.414 121.187 118.700 0.120 0.000 2.094 361 N HA -0.249 4.490 4.740 -0.001 0.000 0.191 361 N C 1.386 176.926 175.510 0.051 0.000 1.023 361 N CA 2.290 55.391 53.050 0.086 0.000 0.857 361 N CB -0.465 38.066 38.487 0.073 0.000 1.013 361 N HN 0.479 nan 8.380 nan 0.000 0.426 362 A N -0.167 122.670 122.820 0.027 0.000 2.121 362 A HA 0.040 4.359 4.320 -0.001 0.000 0.218 362 A C 1.982 179.561 177.584 -0.009 0.000 1.154 362 A CA 0.783 52.758 52.037 -0.104 0.000 0.679 362 A CB -0.293 18.409 19.000 -0.496 0.000 0.795 362 A HN 0.390 nan 8.150 nan 0.000 0.458 363 R N -0.763 119.791 120.500 0.089 0.000 2.432 363 R HA 0.098 4.438 4.340 -0.001 0.000 0.260 363 R C -0.368 175.977 176.300 0.074 0.000 0.935 363 R CA 0.013 56.170 56.100 0.096 0.000 1.080 363 R CB 0.194 30.584 30.300 0.150 0.000 1.155 363 R HN 0.441 nan 8.270 nan 0.000 0.531 364 N N 1.220 119.964 118.700 0.074 0.000 2.721 364 N HA -0.183 4.557 4.740 -0.001 0.000 0.249 364 N C -0.788 174.770 175.510 0.079 0.000 1.072 364 N CA 1.292 54.394 53.050 0.088 0.000 0.710 364 N CB -0.837 37.695 38.487 0.075 0.000 0.993 364 N HN 0.143 nan 8.380 nan 0.000 0.547 365 K N 0.081 120.517 120.400 0.060 0.000 2.267 365 K HA 0.647 4.966 4.320 -0.001 0.000 0.246 365 K C 0.002 176.603 176.600 0.002 0.000 0.954 365 K CA -0.407 55.898 56.287 0.029 0.000 0.824 365 K CB 1.585 34.091 32.500 0.010 0.000 1.167 365 K HN 0.072 nan 8.250 nan 0.000 0.431 366 L N 2.272 123.481 121.223 -0.024 0.000 2.322 366 L HA 0.560 4.900 4.340 -0.001 0.000 0.281 366 L C -0.897 175.877 176.870 -0.161 0.000 1.014 366 L CA -1.266 53.525 54.840 -0.083 0.000 0.815 366 L CB 1.828 43.864 42.059 -0.038 0.000 1.247 366 L HN 0.226 nan 8.230 nan 0.000 0.421 367 V N 4.123 123.884 119.914 -0.254 0.000 2.459 367 V HA 0.425 4.545 4.120 -0.001 0.000 0.295 367 V C -0.102 175.741 176.094 -0.419 0.000 1.029 367 V CA -0.643 61.480 62.300 -0.296 0.000 0.874 367 V CB 2.191 33.846 31.823 -0.279 0.000 0.985 367 V HN 0.399 nan 8.190 nan 0.000 0.438 368 V N 5.989 125.645 119.914 -0.430 0.000 2.417 368 V HA 0.531 4.650 4.120 -0.001 0.000 0.291 368 V C -0.365 175.466 176.094 -0.438 0.000 1.024 368 V CA -0.509 61.453 62.300 -0.563 0.000 0.861 368 V CB 1.706 32.987 31.823 -0.904 0.000 0.985 368 V HN 0.567 nan 8.190 nan 0.000 0.436 369 I N 3.395 123.792 120.570 -0.288 0.000 2.474 369 I HA 0.413 4.582 4.170 -0.001 0.000 0.294 369 I C -0.353 175.736 176.117 -0.047 0.000 1.005 369 I CA -0.555 60.670 61.300 -0.125 0.000 1.113 369 I CB 1.959 39.978 38.000 0.033 0.000 1.289 369 I HN 0.597 nan 8.210 nan 0.000 0.436 370 D N 3.963 124.331 120.400 -0.054 0.000 2.347 370 D HA 0.123 4.762 4.640 -0.001 0.000 0.235 370 D C 1.200 177.387 176.300 -0.189 0.000 1.149 370 D CA -0.137 53.800 54.000 -0.105 0.000 0.850 370 D CB 1.249 42.035 40.800 -0.024 0.000 1.061 370 D HN 0.684 nan 8.370 nan 0.000 0.487 371 T N 1.076 115.471 114.554 -0.266 0.000 3.055 371 T HA -0.074 4.275 4.350 -0.001 0.000 0.265 371 T C 1.559 176.132 174.700 -0.212 0.000 1.111 371 T CA 0.686 62.667 62.100 -0.199 0.000 1.118 371 T CB 0.136 68.918 68.868 -0.143 0.000 0.909 371 T HN 0.362 nan 8.240 nan 0.000 0.501 372 K N 0.685 120.878 120.400 -0.346 0.000 2.044 372 K HA -0.009 4.310 4.320 -0.001 0.000 0.204 372 K C 2.008 178.531 176.600 -0.128 0.000 1.049 372 K CA 0.986 57.130 56.287 -0.239 0.000 0.945 372 K CB 0.143 32.408 32.500 -0.392 0.000 0.724 372 K HN 0.180 nan 8.250 nan 0.000 0.440 373 E N -0.435 119.684 120.200 -0.135 0.000 2.447 373 E HA 0.047 4.396 4.350 -0.001 0.000 0.195 373 E C 0.533 177.086 176.600 -0.077 0.000 1.028 373 E CA 0.721 57.073 56.400 -0.081 0.000 0.876 373 E CB 0.665 30.331 29.700 -0.057 0.000 0.885 373 E HN 0.552 nan 8.360 nan 0.000 0.500 374 G N 2.277 111.020 108.800 -0.095 0.000 2.298 374 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.287 374 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.287 374 G C -0.116 174.742 174.900 -0.071 0.000 1.075 374 G CA 0.751 45.799 45.100 -0.086 0.000 0.960 374 G HN 0.159 nan 8.290 nan 0.000 0.502 375 K N -1.163 119.194 120.400 -0.072 0.000 2.512 375 K HA 0.609 4.928 4.320 -0.001 0.000 0.263 375 K C -0.412 176.135 176.600 -0.087 0.000 0.966 375 K CA -1.280 54.967 56.287 -0.067 0.000 0.851 375 K CB 2.208 34.675 32.500 -0.055 0.000 1.395 375 K HN 0.209 nan 8.250 nan 0.000 0.440 376 L N 1.937 123.103 121.223 -0.095 0.000 2.416 376 L HA 0.081 4.421 4.340 -0.001 0.000 0.272 376 L C 0.239 177.014 176.870 -0.158 0.000 1.161 376 L CA 0.473 55.233 54.840 -0.134 0.000 0.845 376 L CB 1.093 43.079 42.059 -0.121 0.000 1.119 376 L HN 0.589 nan 8.230 nan 0.000 0.464 377 V N 4.252 124.014 119.914 -0.253 0.000 2.908 377 V HA 0.587 4.707 4.120 -0.001 0.000 0.240 377 V C 0.640 176.540 176.094 -0.323 0.000 1.117 377 V CA 0.764 62.868 62.300 -0.325 0.000 1.133 377 V CB 0.009 31.470 31.823 -0.604 0.000 0.857 377 V HN 0.969 nan 8.190 nan 0.000 0.478 378 A N -0.472 122.132 122.820 -0.359 0.000 2.608 378 A HA 0.774 5.094 4.320 -0.001 0.000 0.292 378 A C -1.714 175.746 177.584 -0.205 0.000 1.066 378 A CA -0.364 51.531 52.037 -0.237 0.000 0.676 378 A CB 1.331 20.206 19.000 -0.207 0.000 1.277 378 A HN 0.110 nan 8.150 nan 0.000 0.413 379 I N 1.486 121.983 120.570 -0.123 0.000 2.497 379 I HA 0.401 4.571 4.170 -0.001 0.000 0.284 379 I C -0.972 175.114 176.117 -0.052 0.000 1.060 379 I CA -0.390 60.848 61.300 -0.102 0.000 1.071 379 I CB 1.898 39.846 38.000 -0.087 0.000 1.216 379 I HN 0.535 nan 8.210 nan 0.000 0.442 380 E N 4.559 124.735 120.200 -0.040 0.000 2.238 380 E HA 0.279 4.629 4.350 -0.001 0.000 0.267 380 E C -1.236 175.370 176.600 0.011 0.000 0.887 380 E CA -0.648 55.749 56.400 -0.005 0.000 0.769 380 E CB 2.901 32.608 29.700 0.011 0.000 1.187 380 E HN 0.469 nan 8.360 nan 0.000 0.416 381 D N 1.281 121.692 120.400 0.020 0.000 2.308 381 D HA 0.026 4.665 4.640 -0.001 0.000 0.251 381 D C 1.001 177.328 176.300 0.045 0.000 1.127 381 D CA 0.122 54.142 54.000 0.033 0.000 0.876 381 D CB 1.229 42.045 40.800 0.026 0.000 1.176 381 D HN 0.439 nan 8.370 nan 0.000 0.446 382 T N 0.638 115.240 114.554 0.081 0.000 3.023 382 T HA 0.153 4.502 4.350 -0.001 0.000 0.266 382 T C 1.489 176.216 174.700 0.045 0.000 1.093 382 T CA 0.865 63.033 62.100 0.113 0.000 1.129 382 T CB 0.081 69.123 68.868 0.290 0.000 0.899 382 T HN 0.667 nan 8.240 nan 0.000 0.491 383 G N 0.331 109.137 108.800 0.011 0.000 2.176 383 G HA2 -0.015 3.945 3.960 -0.001 0.000 0.253 383 G HA3 -0.015 3.945 3.960 -0.001 0.000 0.253 383 G C 0.376 175.203 174.900 -0.122 0.000 0.979 383 G CA -0.060 45.016 45.100 -0.041 0.000 0.641 383 G HN 1.081 nan 8.290 nan 0.000 0.530 384 G N -1.303 107.377 108.800 -0.201 0.000 2.667 384 G HA2 0.617 4.577 3.960 -0.001 0.000 0.310 384 G HA3 0.617 4.577 3.960 -0.001 0.000 0.310 384 G C -0.680 174.112 174.900 -0.180 0.000 1.259 384 G CA -0.444 44.361 45.100 -0.492 0.000 1.019 384 G HN 0.203 nan 8.290 nan 0.000 0.496 385 Q N 0.765 120.484 119.800 -0.134 0.000 2.347 385 Q HA 0.409 4.748 4.340 -0.001 0.000 0.262 385 Q C -0.522 175.569 176.000 0.150 0.000 0.980 385 Q CA -0.208 55.612 55.803 0.028 0.000 0.867 385 Q CB 1.156 29.888 28.738 -0.011 0.000 1.242 385 Q HN 0.714 nan 8.270 nan 0.000 0.453 386 T N 2.406 117.052 114.554 0.153 0.000 3.389 386 T HA -0.089 4.261 4.350 -0.001 0.000 0.422 386 T C -2.437 172.350 174.700 0.145 0.000 0.767 386 T CA -0.241 61.933 62.100 0.123 0.000 2.199 386 T CB -1.099 67.804 68.868 0.058 0.000 1.700 386 T HN 0.443 nan 8.240 nan 0.000 0.698 387 P HA 0.142 nan 4.420 nan 0.000 0.268 387 P C -0.300 176.980 177.300 -0.032 0.000 1.204 387 P CA 0.226 63.203 63.100 -0.205 0.000 0.768 387 P CB 0.580 32.172 31.700 -0.179 0.000 0.842 388 H N 5.457 124.423 119.070 -0.174 0.000 2.808 388 H HA 0.211 4.766 4.556 -0.001 0.000 0.268 388 H C -2.196 173.053 175.328 -0.131 0.000 1.306 388 H CA -1.814 54.179 56.048 -0.092 0.000 1.565 388 H CB 1.678 31.368 29.762 -0.120 0.000 1.632 388 H HN 0.222 nan 8.280 nan 0.000 0.525 389 P HA 0.093 nan 4.420 nan 0.000 0.230 389 P C 0.983 178.287 177.300 0.008 0.000 1.168 389 P CA 1.492 64.536 63.100 -0.093 0.000 0.793 389 P CB 1.300 33.003 31.700 0.004 0.000 0.851 390 G N 1.684 110.455 108.800 -0.049 0.000 2.531 390 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.274 390 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.274 390 G C 0.834 175.823 174.900 0.148 0.000 1.159 390 G CA 0.272 45.509 45.100 0.229 0.000 0.969 390 G HN 0.271 nan 8.290 nan 0.000 0.554 391 R N 1.594 122.140 120.500 0.076 0.000 2.317 391 R HA 0.441 4.781 4.340 -0.001 0.000 0.208 391 R C 1.445 177.817 176.300 0.120 0.000 0.914 391 R CA 1.225 57.275 56.100 -0.083 0.000 1.060 391 R CB -0.111 29.747 30.300 -0.736 0.000 1.015 391 R HN 2.063 nan 8.270 nan 0.000 0.498 392 G N 0.361 109.198 108.800 0.061 0.000 2.725 392 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.220 392 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.220 392 G C -1.023 173.828 174.900 -0.081 0.000 1.357 392 G CA -0.512 44.433 45.100 -0.259 0.000 0.866 392 G HN 0.370 nan 8.290 nan 0.000 0.548 393 A N 0.175 122.818 122.820 -0.295 0.000 2.375 393 A HA 0.737 5.056 4.320 -0.001 0.000 0.295 393 A C -0.332 177.364 177.584 0.186 0.000 1.066 393 A CA -0.523 51.583 52.037 0.115 0.000 0.722 393 A CB 1.084 20.203 19.000 0.198 0.000 1.206 393 A HN 0.807 nan 8.150 nan 0.000 0.435 394 N N 1.821 120.722 118.700 0.334 0.000 2.430 394 N HA 0.789 5.528 4.740 -0.001 0.000 0.292 394 N C -0.964 174.756 175.510 0.350 0.000 1.051 394 N CA 0.218 53.447 53.050 0.298 0.000 0.917 394 N CB 1.655 40.298 38.487 0.260 0.000 1.164 394 N HN 0.673 nan 8.380 nan 0.000 0.484 395 F N -1.982 118.040 119.950 0.120 0.000 2.741 395 F HA 0.499 5.026 4.527 -0.001 0.000 0.313 395 F C -1.452 174.402 175.800 0.091 0.000 1.153 395 F CA -1.183 56.871 58.000 0.090 0.000 0.931 395 F CB 0.680 39.741 39.000 0.102 0.000 1.335 395 F HN -0.003 nan 8.300 nan 0.000 0.460 396 V N 2.598 122.672 119.914 0.267 0.000 2.333 396 V HA 0.217 4.336 4.120 -0.001 0.000 0.274 396 V C -0.035 176.219 176.094 0.266 0.000 1.028 396 V CA -0.429 61.951 62.300 0.132 0.000 0.851 396 V CB 0.400 32.278 31.823 0.092 0.000 1.000 396 V HN 0.863 nan 8.190 nan 0.000 0.456 397 H N 7.810 126.930 119.070 0.084 0.000 2.803 397 H HA 0.147 4.702 4.556 -0.001 0.000 0.330 397 H C -1.775 173.587 175.328 0.057 0.000 1.057 397 H CA -1.486 54.674 56.048 0.187 0.000 1.458 397 H CB 2.024 31.888 29.762 0.170 0.000 1.470 397 H HN 0.346 nan 8.280 nan 0.000 0.560 398 P HA -0.186 nan 4.420 nan 0.000 0.216 398 P C 1.262 178.566 177.300 0.007 0.000 1.154 398 P CA 2.779 65.829 63.100 -0.082 0.000 0.865 398 P CB 0.255 31.839 31.700 -0.192 0.000 0.789 399 T N -6.123 108.475 114.554 0.072 0.000 3.018 399 T HA 0.103 4.453 4.350 -0.001 0.000 0.246 399 T C 1.396 176.093 174.700 -0.005 0.000 1.026 399 T CA 0.168 62.250 62.100 -0.030 0.000 1.081 399 T CB -0.828 67.911 68.868 -0.216 0.000 0.970 399 T HN -0.146 nan 8.240 nan 0.000 0.475 400 F N 2.668 122.704 119.950 0.144 0.000 2.512 400 F HA 0.506 5.032 4.527 -0.001 0.000 0.296 400 F C 1.999 177.584 175.800 -0.359 0.000 1.110 400 F CA -0.056 57.855 58.000 -0.147 0.000 1.446 400 F CB -0.797 37.974 39.000 -0.381 0.000 1.092 400 F HN 0.608 nan 8.300 nan 0.000 0.554 401 G N -0.261 108.455 108.800 -0.140 0.000 2.545 401 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.216 401 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.216 401 G C -2.826 171.912 174.900 -0.269 0.000 1.314 401 G CA -1.243 43.568 45.100 -0.482 0.000 0.906 401 G HN -0.035 nan 8.290 nan 0.000 0.563 402 P HA 0.409 nan 4.420 nan 0.000 0.263 402 P C 0.179 177.341 177.300 -0.230 0.000 1.195 402 P CA 0.665 63.656 63.100 -0.181 0.000 0.762 402 P CB 0.984 32.614 31.700 -0.118 0.000 0.799 403 V N 1.064 120.813 119.914 -0.275 0.000 3.130 403 V HA 0.739 4.859 4.120 -0.001 0.000 0.310 403 V C -1.743 174.264 176.094 -0.146 0.000 1.158 403 V CA -1.211 60.926 62.300 -0.271 0.000 1.029 403 V CB 2.400 33.986 31.823 -0.395 0.000 1.057 403 V HN 0.561 nan 8.190 nan 0.000 0.436 404 W N 1.808 123.000 121.300 -0.180 0.000 2.785 404 W HA 0.873 5.532 4.660 -0.001 0.000 0.333 404 W C -0.408 176.117 176.519 0.010 0.000 1.062 404 W CA -0.094 57.239 57.345 -0.020 0.000 1.233 404 W CB 1.900 31.402 29.460 0.070 0.000 1.413 404 W HN 1.061 nan 8.180 nan 0.000 0.489 405 A N 3.255 125.880 122.820 -0.325 0.000 2.384 405 A HA 0.829 5.148 4.320 -0.001 0.000 0.312 405 A C -1.021 176.137 177.584 -0.710 0.000 1.113 405 A CA -0.578 51.285 52.037 -0.290 0.000 0.779 405 A CB 1.996 21.035 19.000 0.066 0.000 1.307 405 A HN 0.521 nan 8.150 nan 0.000 0.436 406 T N -0.153 114.152 114.554 -0.414 0.000 2.923 406 T HA 0.632 4.981 4.350 -0.001 0.000 0.311 406 T C -0.110 174.438 174.700 -0.253 0.000 1.183 406 T CA 0.206 62.068 62.100 -0.397 0.000 1.020 406 T CB 1.112 69.777 68.868 -0.339 0.000 1.165 406 T HN 1.552 nan 8.240 nan 0.000 0.482 407 S N 2.715 118.296 115.700 -0.198 0.000 2.758 407 S HA 0.802 5.272 4.470 -0.001 0.000 0.292 407 S C -0.898 173.558 174.600 -0.240 0.000 1.131 407 S CA -0.574 57.571 58.200 -0.091 0.000 0.997 407 S CB 0.798 64.003 63.200 0.008 0.000 1.111 407 S HN 0.832 nan 8.310 nan 0.000 0.552 408 H N -0.826 118.234 119.070 -0.017 0.000 2.690 408 H HA 0.493 5.048 4.556 -0.001 0.000 0.368 408 H C 0.422 175.740 175.328 -0.016 0.000 1.150 408 H CA -0.785 55.261 56.048 -0.002 0.000 1.174 408 H CB 1.403 31.158 29.762 -0.012 0.000 1.684 408 H HN 0.502 nan 8.280 nan 0.000 0.538 409 M N 0.703 120.359 119.600 0.092 0.000 2.287 409 M HA 0.052 4.532 4.480 -0.001 0.000 0.266 409 M C 2.040 178.356 176.300 0.026 0.000 1.079 409 M CA 1.475 56.782 55.300 0.012 0.000 1.146 409 M CB 0.124 32.704 32.600 -0.035 0.000 1.374 409 M HN 0.869 nan 8.290 nan 0.000 0.435 410 G N 0.555 109.388 108.800 0.056 0.000 2.511 410 G HA2 -0.058 3.902 3.960 -0.001 0.000 0.217 410 G HA3 -0.058 3.902 3.960 -0.001 0.000 0.217 410 G C -0.012 174.892 174.900 0.006 0.000 1.133 410 G CA 0.653 45.767 45.100 0.023 0.000 0.792 410 G HN 0.550 nan 8.290 nan 0.000 0.539 411 D N -1.808 118.601 120.400 0.015 0.000 2.677 411 D HA 0.207 4.847 4.640 -0.001 0.000 0.298 411 D C -0.208 176.095 176.300 0.004 0.000 1.250 411 D CA -0.432 53.558 54.000 -0.017 0.000 0.888 411 D CB 0.191 40.950 40.800 -0.070 0.000 1.397 411 D HN -0.036 nan 8.370 nan 0.000 0.461 412 D N -1.013 119.386 120.400 -0.002 0.000 2.328 412 D HA 0.064 4.703 4.640 -0.001 0.000 0.226 412 D C 0.103 176.414 176.300 0.019 0.000 1.066 412 D CA -0.159 53.854 54.000 0.021 0.000 0.861 412 D CB -0.546 40.277 40.800 0.039 0.000 0.912 412 D HN 0.374 nan 8.370 nan 0.000 0.521 413 S N -0.547 115.128 115.700 -0.041 0.000 2.580 413 S HA 0.453 4.923 4.470 -0.001 0.000 0.274 413 S C -0.021 174.577 174.600 -0.003 0.000 1.329 413 S CA -0.789 57.355 58.200 -0.093 0.000 1.036 413 S CB 1.762 64.814 63.200 -0.247 0.000 0.919 413 S HN -0.014 nan 8.310 nan 0.000 0.515 414 V N 1.859 121.632 119.914 -0.235 0.000 2.487 414 V HA 0.767 4.886 4.120 -0.001 0.000 0.298 414 V C 0.160 175.964 176.094 -0.484 0.000 1.028 414 V CA -0.495 61.593 62.300 -0.353 0.000 0.860 414 V CB 1.234 32.667 31.823 -0.650 0.000 0.991 414 V HN 1.236 nan 8.190 nan 0.000 0.427 415 A N 5.950 128.660 122.820 -0.183 0.000 2.350 415 A HA 0.944 5.263 4.320 -0.001 0.000 0.324 415 A C -1.029 176.513 177.584 -0.070 0.000 1.118 415 A CA -0.589 51.379 52.037 -0.115 0.000 0.783 415 A CB 1.128 20.167 19.000 0.066 0.000 1.236 415 A HN 0.779 nan 8.150 nan 0.000 0.457 416 L N 2.549 123.744 121.223 -0.045 0.000 2.329 416 L HA 0.617 4.957 4.340 -0.001 0.000 0.279 416 L C -0.537 176.312 176.870 -0.036 0.000 1.014 416 L CA -0.405 54.431 54.840 -0.007 0.000 0.814 416 L CB 1.709 43.778 42.059 0.016 0.000 1.257 416 L HN 0.715 nan 8.230 nan 0.000 0.424 417 I N 1.231 121.822 120.570 0.036 0.000 2.465 417 I HA 0.531 4.701 4.170 -0.001 0.000 0.291 417 I C 0.454 176.514 176.117 -0.094 0.000 1.014 417 I CA -0.386 60.920 61.300 0.010 0.000 1.093 417 I CB 1.829 39.921 38.000 0.153 0.000 1.267 417 I HN 0.663 nan 8.210 nan 0.000 0.431 418 G N 3.299 111.952 108.800 -0.244 0.000 2.365 418 G HA2 0.306 4.266 3.960 -0.001 0.000 0.249 418 G HA3 0.306 4.266 3.960 -0.001 0.000 0.249 418 G C 0.471 175.001 174.900 -0.618 0.000 1.288 418 G CA 0.123 44.993 45.100 -0.384 0.000 0.887 418 G HN 0.736 nan 8.290 nan 0.000 0.524 419 T N -1.150 113.067 114.554 -0.562 0.000 3.296 419 T HA 0.228 4.577 4.350 -0.001 0.000 0.285 419 T C -0.108 174.235 174.700 -0.595 0.000 1.014 419 T CA -0.393 61.261 62.100 -0.742 0.000 0.920 419 T CB 0.562 69.337 68.868 -0.155 0.000 1.143 419 T HN 0.364 nan 8.240 nan 0.000 0.522 420 D N 1.472 121.541 120.400 -0.553 0.000 2.441 420 D HA 0.397 5.037 4.640 -0.001 0.000 0.287 420 D C -1.969 174.176 176.300 -0.257 0.000 1.198 420 D CA -2.411 51.434 54.000 -0.259 0.000 0.894 420 D CB 1.661 42.422 40.800 -0.065 0.000 1.070 420 D HN -0.012 nan 8.370 nan 0.000 0.499 421 P HA -0.127 nan 4.420 nan 0.000 0.216 421 P C 0.900 178.165 177.300 -0.060 0.000 1.150 421 P CA 1.171 64.156 63.100 -0.192 0.000 0.837 421 P CB 0.477 32.155 31.700 -0.036 0.000 0.786 422 E N -1.161 119.035 120.200 -0.006 0.000 2.060 422 E HA -0.009 4.340 4.350 -0.001 0.000 0.189 422 E C 2.285 178.875 176.600 -0.018 0.000 0.974 422 E CA 1.151 57.557 56.400 0.009 0.000 0.808 422 E CB -0.756 28.968 29.700 0.041 0.000 0.768 422 E HN 0.231 nan 8.360 nan 0.000 0.453 423 G N 0.104 108.902 108.800 -0.003 0.000 2.453 423 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.215 423 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.215 423 G C 0.334 175.095 174.900 -0.232 0.000 1.147 423 G CA 0.306 45.369 45.100 -0.062 0.000 0.802 423 G HN 0.186 nan 8.290 nan 0.000 0.535 424 H N 0.009 119.029 119.070 -0.083 0.000 2.379 424 H HA 0.265 4.821 4.556 -0.001 0.000 0.229 424 H C -1.607 173.640 175.328 -0.134 0.000 1.423 424 H CA -1.476 54.520 56.048 -0.087 0.000 1.375 424 H CB 1.658 31.371 29.762 -0.082 0.000 1.592 424 H HN 0.113 nan 8.280 nan 0.000 0.507 425 P HA -0.193 nan 4.420 nan 0.000 0.217 425 P C 0.664 177.917 177.300 -0.078 0.000 1.148 425 P CA 1.238 64.293 63.100 -0.075 0.000 0.828 425 P CB 0.682 32.353 31.700 -0.048 0.000 0.783 426 D N -0.902 119.471 120.400 -0.045 0.000 2.269 426 D HA -0.069 4.571 4.640 -0.001 0.000 0.208 426 D C 1.493 177.748 176.300 -0.074 0.000 0.963 426 D CA 0.760 54.736 54.000 -0.041 0.000 0.864 426 D CB -0.446 40.347 40.800 -0.010 0.000 0.936 426 D HN 0.145 nan 8.370 nan 0.000 0.505 427 N N 0.143 118.785 118.700 -0.097 0.000 2.325 427 N HA 0.103 4.842 4.740 -0.001 0.000 0.182 427 N C 0.217 175.547 175.510 -0.300 0.000 1.088 427 N CA 0.023 52.966 53.050 -0.179 0.000 0.879 427 N CB 0.159 38.552 38.487 -0.156 0.000 0.983 427 N HN -0.022 nan 8.380 nan 0.000 0.471 428 A N 0.537 123.131 122.820 -0.376 0.000 2.545 428 A HA 0.084 4.404 4.320 -0.001 0.000 0.253 428 A C -0.118 177.106 177.584 -0.599 0.000 1.074 428 A CA -0.059 51.523 52.037 -0.757 0.000 0.760 428 A CB -0.914 17.592 19.000 -0.823 0.000 1.005 428 A HN 0.514 nan 8.150 nan 0.000 0.506 429 W N 0.577 121.773 121.300 -0.174 0.000 4.435 429 W HA -0.187 4.473 4.660 -0.001 0.000 0.351 429 W C 0.198 176.638 176.519 -0.132 0.000 1.319 429 W CA 0.568 57.814 57.345 -0.166 0.000 0.791 429 W CB -1.265 28.089 29.460 -0.177 0.000 2.419 429 W HN 0.567 nan 8.180 nan 0.000 1.406 430 K N 0.662 121.040 120.400 -0.038 0.000 2.318 430 K HA 0.446 4.765 4.320 -0.001 0.000 0.249 430 K C 0.088 176.627 176.600 -0.101 0.000 0.942 430 K CA -1.134 55.117 56.287 -0.061 0.000 0.808 430 K CB 1.624 34.058 32.500 -0.110 0.000 1.189 430 K HN -0.195 nan 8.250 nan 0.000 0.428 431 I N 4.690 125.215 120.570 -0.075 0.000 2.406 431 I HA 0.010 4.180 4.170 -0.001 0.000 0.293 431 I C 1.548 177.560 176.117 -0.174 0.000 1.101 431 I CA 0.180 61.428 61.300 -0.086 0.000 1.334 431 I CB -0.423 37.557 38.000 -0.033 0.000 1.421 431 I HN 0.487 nan 8.210 nan 0.000 0.513 432 L N 3.928 124.965 121.223 -0.311 0.000 2.179 432 L HA 0.071 4.411 4.340 -0.001 0.000 0.208 432 L C 0.513 177.154 176.870 -0.382 0.000 1.096 432 L CA 0.995 55.490 54.840 -0.575 0.000 0.779 432 L CB -0.123 41.202 42.059 -1.224 0.000 0.922 432 L HN 0.565 nan 8.230 nan 0.000 0.443 433 D N -1.824 118.484 120.400 -0.154 0.000 2.623 433 D HA 0.359 4.999 4.640 -0.001 0.000 0.241 433 D C -1.518 174.806 176.300 0.039 0.000 1.241 433 D CA -0.217 53.832 54.000 0.081 0.000 0.788 433 D CB 2.234 43.244 40.800 0.350 0.000 1.413 433 D HN -0.246 nan 8.370 nan 0.000 0.429 434 S N 1.367 117.112 115.700 0.075 0.000 2.614 434 S HA 0.773 5.242 4.470 -0.001 0.000 0.275 434 S C -1.699 172.920 174.600 0.031 0.000 1.161 434 S CA -0.677 57.464 58.200 -0.099 0.000 0.969 434 S CB 0.014 63.181 63.200 -0.056 0.000 1.059 434 S HN 0.339 nan 8.310 nan 0.000 0.482 435 F N 2.420 122.393 119.950 0.037 0.000 2.631 435 F HA 0.822 5.349 4.527 -0.001 0.000 0.308 435 F C -2.998 172.851 175.800 0.082 0.000 1.097 435 F CA -2.274 55.766 58.000 0.066 0.000 0.952 435 F CB 0.828 39.876 39.000 0.081 0.000 1.307 435 F HN 0.283 nan 8.300 nan 0.000 0.450 436 P HA 0.483 nan 4.420 nan 0.000 0.277 436 P C -0.994 176.568 177.300 0.437 0.000 1.240 436 P CA 0.107 63.380 63.100 0.290 0.000 0.798 436 P CB 1.990 33.846 31.700 0.261 0.000 0.979 437 A N 2.409 125.348 122.820 0.199 0.000 3.837 437 A HA 0.411 4.730 4.320 -0.001 0.000 0.159 437 A C 1.680 179.076 177.584 -0.314 0.000 1.157 437 A CA -0.558 51.411 52.037 -0.113 0.000 0.890 437 A CB -0.589 18.428 19.000 0.028 0.000 1.553 437 A HN 0.463 nan 8.150 nan 0.000 0.642 438 L N -0.511 120.465 121.223 -0.413 0.000 2.012 438 L HA 0.147 4.486 4.340 -0.001 0.000 0.210 438 L C 1.306 178.171 176.870 -0.008 0.000 1.073 438 L CA 1.644 56.390 54.840 -0.156 0.000 0.748 438 L CB -0.313 41.663 42.059 -0.138 0.000 0.891 438 L HN 0.962 nan 8.230 nan 0.000 0.431 439 G N -2.617 106.175 108.800 -0.013 0.000 2.320 439 G HA2 0.355 4.315 3.960 -0.001 0.000 0.296 439 G HA3 0.355 4.315 3.960 -0.001 0.000 0.296 439 G C -0.775 174.130 174.900 0.007 0.000 1.306 439 G CA -0.421 44.686 45.100 0.011 0.000 0.836 439 G HN 0.194 nan 8.290 nan 0.000 0.517 440 G N -1.770 107.034 108.800 0.006 0.000 2.667 440 G HA2 0.558 4.517 3.960 -0.001 0.000 0.250 440 G HA3 0.558 4.517 3.960 -0.001 0.000 0.250 440 G C 1.282 176.181 174.900 -0.002 0.000 1.212 440 G CA 1.236 46.339 45.100 0.006 0.000 0.874 440 G HN 2.366 nan 8.290 nan 0.000 0.561 441 G N -1.494 107.303 108.800 -0.005 0.000 2.141 441 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.231 441 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.231 441 G C 0.616 175.502 174.900 -0.023 0.000 0.984 441 G CA 0.695 45.783 45.100 -0.019 0.000 0.660 441 G HN 1.337 nan 8.290 nan 0.000 0.525 442 S N -0.763 114.929 115.700 -0.013 0.000 2.576 442 S HA 0.653 5.122 4.470 -0.001 0.000 0.276 442 S C 1.503 176.042 174.600 -0.101 0.000 1.339 442 S CA 0.102 58.295 58.200 -0.012 0.000 1.039 442 S CB 0.873 64.087 63.200 0.024 0.000 0.902 442 S HN 0.422 nan 8.310 nan 0.000 0.516 443 L N 2.465 123.602 121.223 -0.144 0.000 2.730 443 L HA 0.452 4.791 4.340 -0.001 0.000 0.236 443 L C -0.869 175.622 176.870 -0.632 0.000 1.061 443 L CA 0.133 54.672 54.840 -0.502 0.000 0.898 443 L CB 0.327 42.016 42.059 -0.616 0.000 1.270 443 L HN 0.524 nan 8.230 nan 0.000 0.500 444 F N -0.168 119.891 119.950 0.182 0.000 2.569 444 F HA 0.510 5.036 4.527 -0.001 0.000 0.312 444 F C -0.460 175.442 175.800 0.170 0.000 1.109 444 F CA -0.693 57.416 58.000 0.182 0.000 0.919 444 F CB 2.277 41.380 39.000 0.172 0.000 1.211 444 F HN -0.304 nan 8.300 nan 0.000 0.446 445 I N 2.795 123.558 120.570 0.321 0.000 2.530 445 I HA 0.672 4.842 4.170 -0.001 0.000 0.297 445 I C -1.315 174.986 176.117 0.307 0.000 1.011 445 I CA -0.656 60.802 61.300 0.265 0.000 1.107 445 I CB 1.700 39.770 38.000 0.117 0.000 1.285 445 I HN 0.615 nan 8.210 nan 0.000 0.436 446 K N 3.670 124.307 120.400 0.395 0.000 2.546 446 K HA 0.663 4.982 4.320 -0.001 0.000 0.264 446 K C -1.192 175.781 176.600 0.622 0.000 0.937 446 K CA -0.422 56.141 56.287 0.461 0.000 0.833 446 K CB 2.160 34.912 32.500 0.420 0.000 1.378 446 K HN 0.656 nan 8.250 nan 0.000 0.432 447 T N 0.502 115.389 114.554 0.555 0.000 2.731 447 T HA 0.462 4.812 4.350 -0.001 0.000 0.300 447 T C -2.167 172.548 174.700 0.025 0.000 1.283 447 T CA -0.478 61.876 62.100 0.423 0.000 1.005 447 T CB 0.772 69.799 68.868 0.265 0.000 1.420 447 T HN 0.574 nan 8.240 nan 0.000 0.503 448 H N 0.113 118.949 119.070 -0.389 0.000 2.996 448 H HA 0.362 4.917 4.556 -0.001 0.000 0.368 448 H C -2.403 172.808 175.328 -0.194 0.000 1.185 448 H CA -1.540 54.220 56.048 -0.480 0.000 1.160 448 H CB 2.506 31.576 29.762 -1.153 0.000 1.820 448 H HN 0.328 nan 8.280 nan 0.000 0.547 449 P HA -0.103 nan 4.420 nan 0.000 0.219 449 P C 0.606 177.937 177.300 0.052 0.000 1.146 449 P CA 1.132 64.163 63.100 -0.115 0.000 0.808 449 P CB 0.398 31.986 31.700 -0.188 0.000 0.779 450 N N -1.680 117.171 118.700 0.251 0.000 2.398 450 N HA 0.028 4.767 4.740 -0.001 0.000 0.188 450 N C 0.443 176.027 175.510 0.124 0.000 1.122 450 N CA 0.445 53.608 53.050 0.189 0.000 0.866 450 N CB -0.086 38.527 38.487 0.210 0.000 0.970 450 N HN 0.063 nan 8.380 nan 0.000 0.462 451 S N 0.146 115.908 115.700 0.102 0.000 2.593 451 S HA 0.246 4.715 4.470 -0.001 0.000 0.297 451 S C 0.671 175.273 174.600 0.003 0.000 1.112 451 S CA -0.630 57.636 58.200 0.110 0.000 1.043 451 S CB 1.290 64.630 63.200 0.233 0.000 1.054 451 S HN 0.305 nan 8.310 nan 0.000 0.516 452 Q N 1.527 121.229 119.800 -0.164 0.000 2.194 452 Q HA 0.277 4.616 4.340 -0.001 0.000 0.214 452 Q C -1.143 174.604 176.000 -0.420 0.000 0.838 452 Q CA -0.228 55.384 55.803 -0.319 0.000 0.972 452 Q CB 0.084 28.562 28.738 -0.433 0.000 1.131 452 Q HN 0.597 nan 8.270 nan 0.000 0.498 453 Y N 0.603 120.950 120.300 0.078 0.000 2.446 453 Y HA 0.549 5.099 4.550 -0.001 0.000 0.338 453 Y C -0.804 175.107 175.900 0.018 0.000 1.055 453 Y CA -1.867 56.224 58.100 -0.015 0.000 1.101 453 Y CB 1.806 40.203 38.460 -0.106 0.000 1.221 453 Y HN 0.082 nan 8.280 nan 0.000 0.460 454 L N 3.585 124.880 121.223 0.120 0.000 2.342 454 L HA 0.521 4.860 4.340 -0.001 0.000 0.276 454 L C -1.901 175.094 176.870 0.208 0.000 0.997 454 L CA -0.822 54.128 54.840 0.184 0.000 0.838 454 L CB 0.138 42.234 42.059 0.061 0.000 1.224 454 L HN 0.431 nan 8.230 nan 0.000 0.416 455 Y N 4.171 124.700 120.300 0.381 0.000 2.320 455 Y HA 0.653 5.203 4.550 -0.001 0.000 0.334 455 Y C -0.050 176.046 175.900 0.326 0.000 1.055 455 Y CA -0.735 57.581 58.100 0.359 0.000 1.143 455 Y CB 1.624 40.368 38.460 0.474 0.000 1.193 455 Y HN 0.276 nan 8.280 nan 0.000 0.477 456 V N 3.696 123.833 119.914 0.371 0.000 2.525 456 V HA 0.285 4.404 4.120 -0.001 0.000 0.299 456 V C -0.626 175.574 176.094 0.177 0.000 1.034 456 V CA -1.087 61.377 62.300 0.273 0.000 0.863 456 V CB 1.500 33.463 31.823 0.234 0.000 0.999 456 V HN 0.814 nan 8.190 nan 0.000 0.423 457 D N 3.852 124.377 120.400 0.209 0.000 2.506 457 D HA 0.741 5.380 4.640 -0.001 0.000 0.272 457 D C 0.234 176.577 176.300 0.072 0.000 1.214 457 D CA -0.471 53.611 54.000 0.137 0.000 1.067 457 D CB 1.655 42.598 40.800 0.239 0.000 1.117 457 D HN 0.737 nan 8.370 nan 0.000 0.578 458 A N -0.921 121.927 122.820 0.048 0.000 3.165 458 A HA 0.312 4.631 4.320 -0.001 0.000 0.212 458 A C 1.001 178.602 177.584 0.028 0.000 0.935 458 A CA -0.353 51.696 52.037 0.020 0.000 1.100 458 A CB -0.726 18.267 19.000 -0.013 0.000 1.260 458 A HN 0.435 nan 8.150 nan 0.000 0.532 459 T N 0.792 115.390 114.554 0.073 0.000 2.649 459 T HA -0.216 4.134 4.350 -0.001 0.000 0.268 459 T C 1.436 176.167 174.700 0.052 0.000 1.036 459 T CA 2.037 64.201 62.100 0.107 0.000 1.157 459 T CB -0.340 68.651 68.868 0.205 0.000 0.861 459 T HN 0.489 nan 8.240 nan 0.000 0.445 460 L N 0.784 122.021 121.223 0.023 0.000 2.611 460 L HA 0.205 4.544 4.340 -0.001 0.000 0.229 460 L C 1.056 177.912 176.870 -0.025 0.000 1.137 460 L CA -0.360 54.476 54.840 -0.008 0.000 0.901 460 L CB -0.463 41.588 42.059 -0.014 0.000 1.098 460 L HN 0.234 nan 8.230 nan 0.000 0.456 461 N N 2.202 120.890 118.700 -0.020 0.000 2.492 461 N HA 0.021 4.761 4.740 -0.001 0.000 0.262 461 N C -1.480 174.008 175.510 -0.036 0.000 1.202 461 N CA -0.935 52.100 53.050 -0.025 0.000 0.926 461 N CB 1.603 40.078 38.487 -0.021 0.000 1.078 461 N HN -0.056 nan 8.380 nan 0.000 0.454 462 P HA -0.092 nan 4.420 nan 0.000 0.219 462 P C -0.014 177.260 177.300 -0.043 0.000 1.150 462 P CA 0.963 64.037 63.100 -0.044 0.000 0.814 462 P CB 0.309 31.985 31.700 -0.041 0.000 0.787 463 E N -0.123 120.055 120.200 -0.037 0.000 2.217 463 E HA 0.296 4.646 4.350 -0.001 0.000 0.279 463 E C 1.210 177.785 176.600 -0.042 0.000 1.068 463 E CA -0.315 56.064 56.400 -0.036 0.000 0.882 463 E CB 0.758 30.441 29.700 -0.028 0.000 1.039 463 E HN -0.040 nan 8.360 nan 0.000 0.418 464 A N 4.587 127.379 122.820 -0.047 0.000 1.948 464 A HA -0.264 4.055 4.320 -0.001 0.000 0.220 464 A C 1.928 179.478 177.584 -0.056 0.000 1.177 464 A CA 1.965 53.971 52.037 -0.052 0.000 0.636 464 A CB -0.368 18.601 19.000 -0.052 0.000 0.815 464 A HN 0.877 nan 8.150 nan 0.000 0.449 465 E N -0.495 119.674 120.200 -0.052 0.000 2.153 465 E HA -0.130 4.220 4.350 -0.001 0.000 0.194 465 E C 1.777 178.338 176.600 -0.065 0.000 0.988 465 E CA 1.150 57.514 56.400 -0.060 0.000 0.811 465 E CB -0.154 29.516 29.700 -0.050 0.000 0.746 465 E HN 0.731 nan 8.360 nan 0.000 0.466 466 I N 0.169 120.709 120.570 -0.051 0.000 2.296 466 I HA -0.182 3.988 4.170 -0.001 0.000 0.242 466 I C 2.478 178.563 176.117 -0.054 0.000 1.087 466 I CA 0.961 62.233 61.300 -0.047 0.000 1.393 466 I CB -0.338 37.646 38.000 -0.028 0.000 1.093 466 I HN 0.136 nan 8.210 nan 0.000 0.421 467 S N 0.891 116.564 115.700 -0.045 0.000 2.469 467 S HA -0.078 4.391 4.470 -0.001 0.000 0.238 467 S C 1.797 176.372 174.600 -0.041 0.000 0.998 467 S CA 1.046 59.226 58.200 -0.034 0.000 0.957 467 S CB -0.773 62.406 63.200 -0.036 0.000 0.764 467 S HN 0.497 nan 8.310 nan 0.000 0.514 468 G N -0.066 108.694 108.800 -0.067 0.000 3.189 468 G HA2 0.483 4.442 3.960 -0.001 0.000 0.225 468 G HA3 0.483 4.442 3.960 -0.001 0.000 0.225 468 G C 0.065 174.876 174.900 -0.149 0.000 1.159 468 G CA -0.262 44.786 45.100 -0.087 0.000 0.763 468 G HN 0.470 nan 8.290 nan 0.000 0.549 469 S N -1.455 114.152 115.700 -0.155 0.000 2.715 469 S HA 0.764 5.234 4.470 -0.001 0.000 0.307 469 S C -0.995 173.468 174.600 -0.227 0.000 1.119 469 S CA -0.511 57.555 58.200 -0.224 0.000 0.937 469 S CB 2.576 65.664 63.200 -0.186 0.000 1.150 469 S HN -0.038 nan 8.310 nan 0.000 0.521 470 V N 0.864 120.607 119.914 -0.284 0.000 2.841 470 V HA 0.771 4.890 4.120 -0.001 0.000 0.310 470 V C -0.456 175.525 176.094 -0.188 0.000 1.090 470 V CA -0.812 61.338 62.300 -0.250 0.000 0.930 470 V CB 1.797 33.343 31.823 -0.462 0.000 1.014 470 V HN 1.020 nan 8.190 nan 0.000 0.425 471 A N 3.674 126.391 122.820 -0.173 0.000 2.301 471 A HA 0.861 5.181 4.320 -0.001 0.000 0.312 471 A C -0.785 176.667 177.584 -0.220 0.000 1.182 471 A CA -0.461 51.399 52.037 -0.295 0.000 0.826 471 A CB 1.187 19.747 19.000 -0.734 0.000 1.134 471 A HN 0.804 nan 8.150 nan 0.000 0.501 472 V N 2.523 122.264 119.914 -0.288 0.000 2.483 472 V HA 0.458 4.578 4.120 -0.001 0.000 0.297 472 V C -1.083 174.820 176.094 -0.319 0.000 1.027 472 V CA -0.283 61.827 62.300 -0.318 0.000 0.855 472 V CB 0.951 32.506 31.823 -0.446 0.000 0.995 472 V HN 0.726 nan 8.190 nan 0.000 0.424 473 F N 1.980 121.932 119.950 0.004 0.000 2.450 473 F HA 0.481 5.007 4.527 -0.001 0.000 0.332 473 F C 0.440 176.300 175.800 0.100 0.000 1.093 473 F CA -0.588 57.450 58.000 0.064 0.000 1.003 473 F CB 1.357 40.389 39.000 0.053 0.000 1.151 473 F HN 0.428 nan 8.300 nan 0.000 0.474 474 D N 3.266 123.827 120.400 0.268 0.000 2.347 474 D HA 0.227 4.866 4.640 -0.001 0.000 0.235 474 D C 1.057 177.372 176.300 0.025 0.000 1.149 474 D CA 0.127 54.240 54.000 0.188 0.000 0.850 474 D CB 0.711 41.613 40.800 0.169 0.000 1.061 474 D HN 0.502 nan 8.370 nan 0.000 0.487 475 I N 3.255 123.772 120.570 -0.089 0.000 2.226 475 I HA -0.249 3.920 4.170 -0.001 0.000 0.245 475 I C 2.166 178.203 176.117 -0.135 0.000 1.100 475 I CA 0.904 62.104 61.300 -0.166 0.000 1.374 475 I CB 0.026 37.865 38.000 -0.269 0.000 1.057 475 I HN 0.328 nan 8.210 nan 0.000 0.413 476 K N 0.756 121.084 120.400 -0.121 0.000 2.280 476 K HA -0.078 4.241 4.320 -0.001 0.000 0.202 476 K C 1.859 178.403 176.600 -0.093 0.000 1.047 476 K CA 1.203 57.429 56.287 -0.101 0.000 0.942 476 K CB -0.118 32.328 32.500 -0.090 0.000 0.739 476 K HN 0.327 nan 8.250 nan 0.000 0.457 477 A N 0.522 123.297 122.820 -0.076 0.000 2.275 477 A HA 0.136 4.455 4.320 -0.001 0.000 0.212 477 A C 0.687 178.219 177.584 -0.087 0.000 1.201 477 A CA -0.069 51.933 52.037 -0.059 0.000 0.843 477 A CB -0.120 18.869 19.000 -0.017 0.000 0.873 477 A HN 0.119 nan 8.150 nan 0.000 0.492 478 M N 0.441 119.950 119.600 -0.150 0.000 2.238 478 M HA 0.164 4.643 4.480 -0.001 0.000 0.347 478 M C 1.305 177.470 176.300 -0.225 0.000 1.173 478 M CA 0.660 55.842 55.300 -0.198 0.000 1.147 478 M CB 0.985 33.401 32.600 -0.306 0.000 1.547 478 M HN 0.397 nan 8.290 nan 0.000 0.455 479 T N -2.970 111.527 114.554 -0.096 0.000 2.954 479 T HA 0.268 4.618 4.350 -0.001 0.000 0.252 479 T C 1.199 175.864 174.700 -0.057 0.000 0.983 479 T CA 0.355 62.411 62.100 -0.074 0.000 0.941 479 T CB 0.203 69.043 68.868 -0.047 0.000 1.141 479 T HN 0.989 nan 8.240 nan 0.000 0.500 480 G N 3.680 112.505 108.800 0.041 0.000 2.273 480 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.280 480 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.280 480 G C 0.174 175.119 174.900 0.075 0.000 1.047 480 G CA 0.422 45.538 45.100 0.028 0.000 0.869 480 G HN 0.806 nan 8.290 nan 0.000 0.502 481 D N -1.014 119.427 120.400 0.069 0.000 2.388 481 D HA 0.381 5.021 4.640 -0.001 0.000 0.221 481 D C 1.704 178.059 176.300 0.092 0.000 1.133 481 D CA 0.233 54.274 54.000 0.067 0.000 0.831 481 D CB -0.333 40.486 40.800 0.033 0.000 0.962 481 D HN 1.458 nan 8.370 nan 0.000 0.502 482 G N 0.691 109.570 108.800 0.131 0.000 2.299 482 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.237 482 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.237 482 G C 0.482 175.450 174.900 0.112 0.000 1.027 482 G CA 0.321 45.496 45.100 0.125 0.000 0.619 482 G HN 0.840 nan 8.290 nan 0.000 0.513 483 S N 1.015 116.768 115.700 0.088 0.000 2.576 483 S HA 0.509 4.978 4.470 -0.001 0.000 0.276 483 S C -0.423 174.226 174.600 0.082 0.000 1.339 483 S CA -0.071 58.173 58.200 0.073 0.000 1.039 483 S CB 1.549 64.776 63.200 0.045 0.000 0.902 483 S HN 0.215 nan 8.310 nan 0.000 0.516 484 D N 3.735 124.191 120.400 0.093 0.000 2.295 484 D HA 0.355 4.994 4.640 -0.001 0.000 0.248 484 D C -1.848 174.485 176.300 0.055 0.000 1.154 484 D CA -1.147 52.922 54.000 0.115 0.000 0.857 484 D CB 0.694 41.610 40.800 0.193 0.000 1.117 484 D HN 0.483 nan 8.370 nan 0.000 0.468 485 P HA 0.054 nan 4.420 nan 0.000 0.268 485 P C -0.042 177.371 177.300 0.189 0.000 1.204 485 P CA -0.271 62.824 63.100 -0.008 0.000 0.768 485 P CB 0.956 32.539 31.700 -0.195 0.000 0.842 486 E N 2.861 123.111 120.200 0.083 0.000 2.349 486 E HA 0.455 4.805 4.350 -0.001 0.000 0.262 486 E C -0.744 175.813 176.600 -0.073 0.000 1.088 486 E CA -0.734 55.642 56.400 -0.041 0.000 0.899 486 E CB 0.449 30.064 29.700 -0.141 0.000 1.044 486 E HN 0.412 nan 8.360 nan 0.000 0.420 487 F N -1.099 118.667 119.950 -0.307 0.000 2.603 487 F HA 0.576 5.103 4.527 -0.001 0.000 0.317 487 F C -0.632 174.954 175.800 -0.356 0.000 1.066 487 F CA -1.525 56.119 58.000 -0.593 0.000 0.941 487 F CB 1.416 39.670 39.000 -1.242 0.000 1.291 487 F HN 0.377 nan 8.300 nan 0.000 0.472 488 K N 0.866 121.195 120.400 -0.118 0.000 2.130 488 K HA 0.542 4.861 4.320 -0.001 0.000 0.268 488 K C -1.069 175.523 176.600 -0.013 0.000 0.983 488 K CA -0.456 55.762 56.287 -0.115 0.000 0.893 488 K CB 1.500 33.915 32.500 -0.141 0.000 1.066 488 K HN 0.900 nan 8.250 nan 0.000 0.450 489 T N 4.577 119.107 114.554 -0.038 0.000 2.767 489 T HA 0.345 4.694 4.350 -0.001 0.000 0.284 489 T C -0.333 174.249 174.700 -0.197 0.000 0.973 489 T CA -0.593 61.475 62.100 -0.053 0.000 0.996 489 T CB 0.421 69.279 68.868 -0.016 0.000 0.927 489 T HN 0.391 nan 8.240 nan 0.000 0.456 490 L N 6.264 127.306 121.223 -0.302 0.000 2.280 490 L HA 0.367 4.706 4.340 -0.001 0.000 0.287 490 L C -1.850 174.582 176.870 -0.730 0.000 1.023 490 L CA -2.248 52.244 54.840 -0.580 0.000 0.819 490 L CB 1.483 43.235 42.059 -0.512 0.000 1.212 490 L HN 0.373 nan 8.230 nan 0.000 0.420 491 P HA 0.071 nan 4.420 nan 0.000 0.225 491 P C 1.019 177.812 177.300 -0.845 0.000 1.813 491 P CA -0.316 62.351 63.100 -0.721 0.000 1.013 491 P CB 0.250 31.610 31.700 -0.567 0.000 1.961 492 I N 1.733 121.915 120.570 -0.646 0.000 2.118 492 I HA -0.277 3.893 4.170 -0.001 0.000 0.241 492 I C 2.378 178.417 176.117 -0.130 0.000 1.070 492 I CA 1.826 62.918 61.300 -0.347 0.000 1.327 492 I CB -2.016 35.800 38.000 -0.306 0.000 1.034 492 I HN 0.167 nan 8.210 nan 0.000 0.405 493 A N 0.166 122.903 122.820 -0.138 0.000 1.902 493 A HA -0.249 4.070 4.320 -0.001 0.000 0.217 493 A C 2.401 179.962 177.584 -0.039 0.000 1.181 493 A CA 1.868 53.868 52.037 -0.062 0.000 0.623 493 A CB -0.725 18.236 19.000 -0.065 0.000 0.818 493 A HN 0.558 nan 8.150 nan 0.000 0.443 494 E N -1.222 118.927 120.200 -0.085 0.000 2.051 494 E HA -0.231 4.119 4.350 -0.001 0.000 0.192 494 E C 1.772 178.433 176.600 0.102 0.000 0.991 494 E CA 1.369 57.752 56.400 -0.029 0.000 0.799 494 E CB -0.239 29.409 29.700 -0.087 0.000 0.748 494 E HN 0.750 nan 8.360 nan 0.000 0.449 495 W N 0.406 121.662 121.300 -0.073 0.000 2.342 495 W HA -0.058 4.601 4.660 -0.001 0.000 0.297 495 W C 2.342 178.803 176.519 -0.096 0.000 1.213 495 W CA 1.133 58.428 57.345 -0.084 0.000 1.251 495 W CB -0.993 28.412 29.460 -0.092 0.000 1.136 495 W HN 0.213 nan 8.180 nan 0.000 0.526 496 A N -0.446 122.457 122.820 0.139 0.000 2.168 496 A HA 0.313 4.633 4.320 -0.001 0.000 0.215 496 A C 1.849 179.434 177.584 0.001 0.000 1.152 496 A CA 1.405 53.460 52.037 0.030 0.000 0.716 496 A CB -0.898 18.110 19.000 0.013 0.000 0.794 496 A HN 0.626 nan 8.150 nan 0.000 0.465 497 G N -0.965 107.847 108.800 0.020 0.000 2.176 497 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.252 497 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.252 497 G C -0.061 174.834 174.900 -0.008 0.000 1.024 497 G CA 0.407 45.507 45.100 0.001 0.000 0.755 497 G HN 0.529 nan 8.290 nan 0.000 0.507 498 I N 0.234 120.800 120.570 -0.006 0.000 2.389 498 I HA 0.453 4.623 4.170 -0.001 0.000 0.288 498 I C 0.971 177.078 176.117 -0.017 0.000 0.999 498 I CA -0.538 60.755 61.300 -0.011 0.000 1.129 498 I CB 1.993 39.989 38.000 -0.007 0.000 1.288 498 I HN 0.034 nan 8.210 nan 0.000 0.444 499 T N 2.335 116.878 114.554 -0.019 0.000 2.954 499 T HA 0.041 4.390 4.350 -0.001 0.000 0.252 499 T C 0.465 175.149 174.700 -0.026 0.000 0.983 499 T CA -0.260 61.826 62.100 -0.024 0.000 0.941 499 T CB 0.151 69.006 68.868 -0.022 0.000 1.141 499 T HN 0.712 nan 8.240 nan 0.000 0.500 500 E N 2.064 122.251 120.200 -0.023 0.000 2.414 500 E HA 0.415 4.765 4.350 -0.001 0.000 0.263 500 E C 0.885 177.466 176.600 -0.031 0.000 1.000 500 E CA 0.091 56.477 56.400 -0.024 0.000 0.914 500 E CB 0.149 29.838 29.700 -0.018 0.000 0.948 500 E HN 0.320 nan 8.360 nan 0.000 0.444 501 G N 2.402 111.180 108.800 -0.037 0.000 2.749 501 G HA2 -0.364 3.596 3.960 -0.001 0.000 0.242 501 G HA3 -0.364 3.596 3.960 -0.001 0.000 0.242 501 G C -0.540 174.323 174.900 -0.061 0.000 1.364 501 G CA 0.190 45.259 45.100 -0.051 0.000 0.888 501 G HN 0.790 nan 8.290 nan 0.000 0.566 502 Q N 0.590 120.340 119.800 -0.084 0.000 2.509 502 Q HA 0.496 4.835 4.340 -0.001 0.000 0.236 502 Q C -2.342 173.594 176.000 -0.106 0.000 1.073 502 Q CA -1.797 53.952 55.803 -0.090 0.000 0.867 502 Q CB 0.855 29.534 28.738 -0.099 0.000 1.181 502 Q HN 0.384 nan 8.270 nan 0.000 0.526 503 P HA 0.059 nan 4.420 nan 0.000 0.268 503 P C -1.155 176.119 177.300 -0.043 0.000 1.204 503 P CA 0.167 63.237 63.100 -0.050 0.000 0.768 503 P CB 0.632 32.321 31.700 -0.018 0.000 0.842 504 R N 1.959 122.451 120.500 -0.014 0.000 2.393 504 R HA 0.457 4.796 4.340 -0.001 0.000 0.315 504 R C -0.887 175.519 176.300 0.176 0.000 0.952 504 R CA -1.024 55.102 56.100 0.043 0.000 0.842 504 R CB 1.488 31.776 30.300 -0.020 0.000 1.163 504 R HN 0.236 nan 8.270 nan 0.000 0.450 505 V N 4.001 123.988 119.914 0.122 0.000 2.530 505 V HA 0.305 4.424 4.120 -0.001 0.000 0.282 505 V C -0.074 176.161 176.094 0.234 0.000 1.048 505 V CA -0.290 62.098 62.300 0.146 0.000 0.997 505 V CB 1.521 33.351 31.823 0.011 0.000 0.987 505 V HN 0.492 nan 8.190 nan 0.000 0.477 506 V N 5.478 125.569 119.914 0.295 0.000 2.932 506 V HA 0.532 4.652 4.120 -0.001 0.000 0.307 506 V C -0.508 175.738 176.094 0.253 0.000 1.147 506 V CA -0.363 62.135 62.300 0.329 0.000 0.951 506 V CB 1.740 33.766 31.823 0.339 0.000 1.031 506 V HN 1.061 nan 8.190 nan 0.000 0.426 507 Q N 2.965 122.934 119.800 0.283 0.000 2.821 507 Q HA -0.138 4.202 4.340 -0.001 0.000 0.138 507 Q C -0.115 175.781 176.000 -0.173 0.000 1.496 507 Q CA 0.883 56.638 55.803 -0.080 0.000 0.514 507 Q CB -0.810 27.528 28.738 -0.667 0.000 0.674 507 Q HN 1.432 nan 8.270 nan 0.000 0.317 508 G N 3.071 111.757 108.800 -0.190 0.000 2.415 508 G HA2 0.445 4.405 3.960 -0.001 0.000 0.269 508 G HA3 0.445 4.405 3.960 -0.001 0.000 0.269 508 G C -0.722 173.912 174.900 -0.442 0.000 1.209 508 G CA 0.058 44.699 45.100 -0.765 0.000 0.835 508 G HN 0.540 nan 8.290 nan 0.000 0.534 509 E N 0.779 120.687 120.200 -0.486 0.000 2.291 509 E HA 0.513 4.863 4.350 -0.001 0.000 0.276 509 E C -1.410 175.102 176.600 -0.147 0.000 0.896 509 E CA -0.687 55.602 56.400 -0.185 0.000 0.774 509 E CB 0.994 30.588 29.700 -0.177 0.000 1.227 509 E HN 0.242 nan 8.360 nan 0.000 0.413 510 F N 2.710 122.659 119.950 -0.001 0.000 2.370 510 F HA 0.384 4.910 4.527 -0.001 0.000 0.319 510 F C 1.266 177.092 175.800 0.043 0.000 1.129 510 F CA -0.391 57.637 58.000 0.047 0.000 1.109 510 F CB 0.659 39.685 39.000 0.043 0.000 1.262 510 F HN 0.540 nan 8.300 nan 0.000 0.534 511 N N 0.854 119.756 118.700 0.338 0.000 2.364 511 N HA 0.087 4.827 4.740 -0.001 0.000 0.264 511 N C 0.628 176.199 175.510 0.100 0.000 1.263 511 N CA -0.570 52.627 53.050 0.245 0.000 0.959 511 N CB 0.249 38.959 38.487 0.373 0.000 1.204 511 N HN 0.661 nan 8.380 nan 0.000 0.550 512 K N -0.889 119.544 120.400 0.056 0.000 2.103 512 K HA -0.169 4.150 4.320 -0.001 0.000 0.207 512 K C 0.090 176.685 176.600 -0.008 0.000 1.048 512 K CA 1.668 57.975 56.287 0.033 0.000 0.930 512 K CB -0.077 32.377 32.500 -0.077 0.000 0.716 512 K HN 0.469 nan 8.250 nan 0.000 0.444 513 D N -0.878 119.508 120.400 -0.023 0.000 2.333 513 D HA 0.041 4.680 4.640 -0.001 0.000 0.208 513 D C 0.884 177.090 176.300 -0.156 0.000 0.984 513 D CA 1.069 55.047 54.000 -0.037 0.000 0.873 513 D CB 0.403 41.209 40.800 0.009 0.000 0.935 513 D HN 0.494 nan 8.370 nan 0.000 0.521 514 G N 1.005 109.604 108.800 -0.336 0.000 2.176 514 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.252 514 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.252 514 G C 1.052 175.972 174.900 0.033 0.000 1.024 514 G CA 1.096 45.824 45.100 -0.620 0.000 0.755 514 G HN 0.415 nan 8.290 nan 0.000 0.507 515 T N -3.541 111.104 114.554 0.150 0.000 3.014 515 T HA 0.474 4.823 4.350 -0.001 0.000 0.250 515 T C 0.530 175.386 174.700 0.260 0.000 1.060 515 T CA 0.903 63.125 62.100 0.203 0.000 1.040 515 T CB 0.851 69.803 68.868 0.141 0.000 0.971 515 T HN 0.515 nan 8.240 nan 0.000 0.497 516 E N 0.139 120.515 120.200 0.293 0.000 2.331 516 E HA 0.636 4.985 4.350 -0.001 0.000 0.275 516 E C -1.995 174.683 176.600 0.130 0.000 0.895 516 E CA -0.935 55.610 56.400 0.241 0.000 0.753 516 E CB 3.326 33.212 29.700 0.310 0.000 1.216 516 E HN 0.060 nan 8.360 nan 0.000 0.434 517 V N 2.933 122.778 119.914 -0.115 0.000 2.588 517 V HA 0.527 4.646 4.120 -0.001 0.000 0.304 517 V C -1.667 174.300 176.094 -0.211 0.000 1.042 517 V CA -0.485 61.491 62.300 -0.540 0.000 0.877 517 V CB 0.738 31.705 31.823 -1.427 0.000 0.996 517 V HN 0.590 nan 8.190 nan 0.000 0.425 518 W N 5.507 126.435 121.300 -0.621 0.000 2.512 518 W HA 0.765 5.425 4.660 -0.001 0.000 0.335 518 W C -0.640 175.431 176.519 -0.747 0.000 1.088 518 W CA -1.050 55.993 57.345 -0.502 0.000 1.236 518 W CB 1.085 30.289 29.460 -0.427 0.000 1.307 518 W HN 0.385 nan 8.180 nan 0.000 0.567 519 F N 0.703 120.677 119.950 0.039 0.000 2.576 519 F HA 0.467 4.993 4.527 -0.001 0.000 0.313 519 F C 0.289 176.095 175.800 0.010 0.000 1.078 519 F CA -1.069 56.933 58.000 0.003 0.000 0.921 519 F CB 1.814 40.808 39.000 -0.010 0.000 1.232 519 F HN -0.029 nan 8.300 nan 0.000 0.459 520 S N 1.226 117.041 115.700 0.193 0.000 2.508 520 S HA 0.550 5.019 4.470 -0.001 0.000 0.284 520 S C -0.610 174.096 174.600 0.177 0.000 1.192 520 S CA -0.661 57.617 58.200 0.128 0.000 1.070 520 S CB 1.493 64.723 63.200 0.050 0.000 1.004 520 S HN 0.323 nan 8.310 nan 0.000 0.493 521 V N 4.313 124.315 119.914 0.146 0.000 2.240 521 V HA 0.173 4.292 4.120 -0.001 0.000 0.265 521 V C -0.679 175.541 176.094 0.210 0.000 1.073 521 V CA -0.690 61.697 62.300 0.144 0.000 0.857 521 V CB -0.182 31.686 31.823 0.076 0.000 1.114 521 V HN 0.896 nan 8.190 nan 0.000 0.469 522 W N 6.042 127.360 121.300 0.030 0.000 2.546 522 W HA 0.373 5.032 4.660 -0.001 0.000 0.323 522 W C -0.011 176.519 176.519 0.020 0.000 1.272 522 W CA -0.391 56.971 57.345 0.030 0.000 1.404 522 W CB 0.138 29.625 29.460 0.044 0.000 1.411 522 W HN 0.444 nan 8.180 nan 0.000 0.480 523 N N 2.667 121.486 118.700 0.198 0.000 2.619 523 N HA 0.602 5.341 4.740 -0.001 0.000 0.294 523 N C 0.004 175.522 175.510 0.013 0.000 1.279 523 N CA -0.330 52.724 53.050 0.006 0.000 0.867 523 N CB 1.415 39.918 38.487 0.027 0.000 1.329 523 N HN 0.447 nan 8.380 nan 0.000 0.557 524 G N 0.166 108.943 108.800 -0.038 0.000 2.664 524 G HA2 0.024 3.983 3.960 -0.001 0.000 0.242 524 G HA3 0.024 3.983 3.960 -0.001 0.000 0.242 524 G C 0.895 175.828 174.900 0.054 0.000 1.225 524 G CA -0.136 44.960 45.100 -0.007 0.000 0.849 524 G HN 0.699 nan 8.290 nan 0.000 0.581 525 K N -0.551 119.888 120.400 0.066 0.000 2.113 525 K HA -0.124 4.195 4.320 -0.001 0.000 0.208 525 K C 0.622 177.249 176.600 0.045 0.000 1.047 525 K CA 1.739 58.067 56.287 0.069 0.000 0.928 525 K CB 0.076 32.612 32.500 0.059 0.000 0.716 525 K HN 0.438 nan 8.250 nan 0.000 0.446 526 D N 0.462 120.880 120.400 0.029 0.000 2.424 526 D HA 0.066 4.705 4.640 -0.001 0.000 0.220 526 D C 0.025 176.334 176.300 0.014 0.000 1.150 526 D CA 0.200 54.212 54.000 0.020 0.000 0.831 526 D CB 0.577 41.385 40.800 0.013 0.000 0.981 526 D HN 0.238 nan 8.370 nan 0.000 0.500 527 Q N 0.112 119.923 119.800 0.018 0.000 2.385 527 Q HA 0.335 4.674 4.340 -0.001 0.000 0.262 527 Q C -0.208 175.805 176.000 0.020 0.000 1.050 527 Q CA -0.620 55.190 55.803 0.011 0.000 0.903 527 Q CB 1.804 30.542 28.738 -0.000 0.000 1.325 527 Q HN 0.057 nan 8.270 nan 0.000 0.485 528 E N 0.491 120.699 120.200 0.014 0.000 2.200 528 E HA 0.346 4.695 4.350 -0.001 0.000 0.283 528 E C -0.934 175.683 176.600 0.027 0.000 1.015 528 E CA 0.000 56.410 56.400 0.016 0.000 0.819 528 E CB 0.948 30.650 29.700 0.003 0.000 1.081 528 E HN 0.383 nan 8.360 nan 0.000 0.397 529 S N 1.512 117.236 115.700 0.041 0.000 2.766 529 S HA 0.950 5.420 4.470 -0.001 0.000 0.307 529 S C -1.051 173.568 174.600 0.031 0.000 1.121 529 S CA -0.299 57.938 58.200 0.061 0.000 0.980 529 S CB 1.765 65.027 63.200 0.104 0.000 1.159 529 S HN 0.724 nan 8.310 nan 0.000 0.546 530 A N 0.355 123.195 122.820 0.034 0.000 2.566 530 A HA 0.695 5.014 4.320 -0.001 0.000 0.290 530 A C -2.273 175.308 177.584 -0.004 0.000 1.071 530 A CA -0.658 51.374 52.037 -0.009 0.000 0.658 530 A CB 0.625 19.603 19.000 -0.037 0.000 1.285 530 A HN 0.604 nan 8.150 nan 0.000 0.427 531 L N 0.765 121.950 121.223 -0.063 0.000 2.362 531 L HA 0.650 4.990 4.340 -0.001 0.000 0.275 531 L C -1.048 175.709 176.870 -0.187 0.000 0.998 531 L CA -1.043 53.750 54.840 -0.079 0.000 0.820 531 L CB 1.942 43.948 42.059 -0.088 0.000 1.270 531 L HN 0.475 nan 8.230 nan 0.000 0.415 532 V N 3.900 123.744 119.914 -0.116 0.000 2.417 532 V HA 0.379 4.498 4.120 -0.001 0.000 0.291 532 V C -0.069 175.886 176.094 -0.231 0.000 1.024 532 V CA -0.650 61.568 62.300 -0.136 0.000 0.861 532 V CB 2.211 34.076 31.823 0.069 0.000 0.985 532 V HN 0.408 nan 8.190 nan 0.000 0.436 533 V N 6.022 125.665 119.914 -0.451 0.000 2.370 533 V HA 0.439 4.559 4.120 -0.001 0.000 0.279 533 V C -0.028 175.930 176.094 -0.226 0.000 1.029 533 V CA -0.492 61.473 62.300 -0.559 0.000 0.870 533 V CB 1.611 32.851 31.823 -0.971 0.000 0.984 533 V HN 0.601 nan 8.190 nan 0.000 0.451 534 V N 3.805 123.688 119.914 -0.052 0.000 2.483 534 V HA 0.340 4.459 4.120 -0.001 0.000 0.295 534 V C 0.131 176.265 176.094 0.068 0.000 1.035 534 V CA -0.659 61.683 62.300 0.070 0.000 0.896 534 V CB 1.957 33.942 31.823 0.270 0.000 0.986 534 V HN 0.891 nan 8.190 nan 0.000 0.447 535 D N 2.930 123.371 120.400 0.068 0.000 2.338 535 D HA 0.014 4.654 4.640 -0.001 0.000 0.255 535 D C 0.739 177.160 176.300 0.202 0.000 1.237 535 D CA 0.018 54.086 54.000 0.112 0.000 0.883 535 D CB 1.482 42.322 40.800 0.068 0.000 1.087 535 D HN 0.754 nan 8.370 nan 0.000 0.485 536 D N 3.701 124.266 120.400 0.275 0.000 2.144 536 D HA -0.168 4.471 4.640 -0.001 0.000 0.199 536 D C 1.524 178.103 176.300 0.465 0.000 0.984 536 D CA 1.445 55.714 54.000 0.447 0.000 0.834 536 D CB 0.377 41.511 40.800 0.556 0.000 0.955 536 D HN 0.366 nan 8.370 nan 0.000 0.465 537 K N -1.139 119.457 120.400 0.327 0.000 2.155 537 K HA -0.030 4.289 4.320 -0.001 0.000 0.203 537 K C 1.911 178.673 176.600 0.270 0.000 1.052 537 K CA 1.554 58.019 56.287 0.296 0.000 0.948 537 K CB 0.068 32.682 32.500 0.189 0.000 0.728 537 K HN 0.295 nan 8.250 nan 0.000 0.448 538 T N -2.146 112.523 114.554 0.192 0.000 3.001 538 T HA 0.234 4.584 4.350 -0.001 0.000 0.251 538 T C 0.798 175.554 174.700 0.093 0.000 1.040 538 T CA -0.364 61.813 62.100 0.127 0.000 0.985 538 T CB -0.004 68.908 68.868 0.074 0.000 1.011 538 T HN 0.151 nan 8.240 nan 0.000 0.509 539 L N 0.543 121.831 121.223 0.110 0.000 4.040 539 L HA -0.172 4.167 4.340 -0.001 0.000 0.410 539 L C -0.296 176.676 176.870 0.169 0.000 1.187 539 L CA 0.500 55.401 54.840 0.101 0.000 0.956 539 L CB -1.930 40.085 42.059 -0.073 0.000 2.022 539 L HN 0.523 nan 8.230 nan 0.000 0.897 540 E N 0.065 120.303 120.200 0.064 0.000 2.222 540 E HA 0.543 4.892 4.350 -0.001 0.000 0.267 540 E C -0.248 176.149 176.600 -0.339 0.000 0.963 540 E CA -1.236 55.093 56.400 -0.117 0.000 0.837 540 E CB 2.273 31.902 29.700 -0.119 0.000 1.183 540 E HN 0.114 nan 8.360 nan 0.000 0.403 541 L N 2.173 122.854 121.223 -0.903 0.000 2.490 541 L HA 0.018 4.358 4.340 -0.001 0.000 0.274 541 L C 0.628 177.237 176.870 -0.435 0.000 1.201 541 L CA 0.855 55.160 54.840 -0.892 0.000 0.869 541 L CB 0.557 41.808 42.059 -1.347 0.000 1.123 541 L HN 0.512 nan 8.230 nan 0.000 0.484 542 K N 2.659 122.878 120.400 -0.302 0.000 2.309 542 K HA 0.201 4.521 4.320 -0.001 0.000 0.210 542 K C -0.538 175.941 176.600 -0.201 0.000 1.114 542 K CA 0.497 56.662 56.287 -0.203 0.000 0.912 542 K CB 0.058 32.472 32.500 -0.144 0.000 1.198 542 K HN 0.839 nan 8.250 nan 0.000 0.471 543 H N -1.065 117.728 119.070 -0.462 0.000 3.046 543 H HA 0.543 5.098 4.556 -0.001 0.000 0.363 543 H C -1.946 173.076 175.328 -0.510 0.000 1.203 543 H CA -0.844 54.885 56.048 -0.532 0.000 1.169 543 H CB 1.772 31.000 29.762 -0.890 0.000 1.851 543 H HN -0.110 nan 8.280 nan 0.000 0.546 544 V N 5.820 125.165 119.914 -0.949 0.000 2.448 544 V HA 0.356 4.475 4.120 -0.001 0.000 0.295 544 V C -0.040 175.586 176.094 -0.780 0.000 1.025 544 V CA -0.603 61.304 62.300 -0.654 0.000 0.859 544 V CB 1.388 32.982 31.823 -0.383 0.000 0.988 544 V HN 0.612 nan 8.190 nan 0.000 0.431 545 I N 5.179 125.466 120.570 -0.471 0.000 2.312 545 I HA 0.477 4.646 4.170 -0.001 0.000 0.290 545 I C 0.014 176.035 176.117 -0.159 0.000 1.008 545 I CA -0.260 60.880 61.300 -0.268 0.000 1.226 545 I CB 0.958 38.857 38.000 -0.168 0.000 1.371 545 I HN 0.483 nan 8.210 nan 0.000 0.468 546 K N 5.188 125.516 120.400 -0.119 0.000 2.427 546 K HA 0.529 4.848 4.320 -0.001 0.000 0.252 546 K C -1.406 175.174 176.600 -0.034 0.000 0.931 546 K CA -0.815 55.431 56.287 -0.068 0.000 0.793 546 K CB 2.490 34.944 32.500 -0.076 0.000 1.211 546 K HN 0.508 nan 8.250 nan 0.000 0.426 547 D N 1.396 121.789 120.400 -0.013 0.000 2.706 547 D HA 0.033 4.673 4.640 -0.001 0.000 0.225 547 D C 0.144 176.450 176.300 0.009 0.000 1.241 547 D CA -0.269 53.732 54.000 0.002 0.000 0.784 547 D CB 1.767 42.574 40.800 0.012 0.000 1.521 547 D HN 0.409 nan 8.370 nan 0.000 0.461 548 E N 1.377 121.583 120.200 0.011 0.000 2.160 548 E HA -0.149 4.200 4.350 -0.001 0.000 0.195 548 E C 1.492 178.105 176.600 0.022 0.000 0.991 548 E CA 1.103 57.512 56.400 0.015 0.000 0.810 548 E CB 0.082 29.791 29.700 0.014 0.000 0.742 548 E HN 0.430 nan 8.360 nan 0.000 0.466 549 R N 0.080 120.595 120.500 0.025 0.000 2.276 549 R HA 0.020 4.359 4.340 -0.001 0.000 0.203 549 R C 0.895 177.216 176.300 0.036 0.000 1.017 549 R CA -0.072 56.047 56.100 0.031 0.000 1.010 549 R CB -0.103 30.217 30.300 0.033 0.000 0.900 549 R HN -0.045 nan 8.270 nan 0.000 0.469 550 L N 2.089 123.332 121.223 0.034 0.000 2.416 550 L HA 0.084 4.423 4.340 -0.001 0.000 0.243 550 L C -0.694 176.205 176.870 0.048 0.000 1.373 550 L CA 0.153 55.016 54.840 0.039 0.000 1.227 550 L CB 0.325 42.403 42.059 0.030 0.000 1.428 550 L HN -0.182 nan 8.230 nan 0.000 0.425 551 V N 2.395 122.340 119.914 0.051 0.000 2.432 551 V HA 0.185 4.304 4.120 -0.001 0.000 0.271 551 V C 0.928 177.072 176.094 0.083 0.000 1.046 551 V CA -0.008 62.331 62.300 0.065 0.000 0.945 551 V CB 0.665 32.521 31.823 0.055 0.000 0.992 551 V HN 0.844 nan 8.190 nan 0.000 0.471 552 T N 4.264 118.901 114.554 0.139 0.000 3.549 552 T HA -0.123 4.226 4.350 -0.001 0.000 0.398 552 T C -1.620 173.100 174.700 0.033 0.000 0.766 552 T CA -0.007 62.223 62.100 0.216 0.000 2.007 552 T CB -1.731 67.303 68.868 0.277 0.000 1.727 552 T HN 0.605 nan 8.240 nan 0.000 0.693 553 P HA 0.235 nan 4.420 nan 0.000 0.271 553 P C 0.950 178.130 177.300 -0.201 0.000 1.220 553 P CA 0.132 63.200 63.100 -0.052 0.000 0.768 553 P CB 1.588 33.297 31.700 0.015 0.000 0.848 554 T N 0.776 115.154 114.554 -0.294 0.000 2.964 554 T HA 0.349 4.698 4.350 -0.001 0.000 0.161 554 T C 1.015 175.529 174.700 -0.309 0.000 0.859 554 T CA 0.139 61.976 62.100 -0.438 0.000 1.015 554 T CB -0.813 67.616 68.868 -0.732 0.000 2.138 554 T HN 0.334 nan 8.240 nan 0.000 0.367 555 G N 2.104 110.722 108.800 -0.304 0.000 2.380 555 G HA2 0.493 4.453 3.960 -0.001 0.000 0.242 555 G HA3 0.493 4.453 3.960 -0.001 0.000 0.242 555 G C -0.965 173.656 174.900 -0.465 0.000 1.298 555 G CA -0.398 44.465 45.100 -0.394 0.000 0.878 555 G HN 0.665 nan 8.290 nan 0.000 0.542 556 K N 0.771 120.668 120.400 -0.839 0.000 2.427 556 K HA 0.516 4.835 4.320 -0.001 0.000 0.252 556 K C -1.575 174.408 176.600 -1.029 0.000 0.931 556 K CA -0.509 55.443 56.287 -0.559 0.000 0.793 556 K CB 2.369 34.743 32.500 -0.209 0.000 1.211 556 K HN 0.369 nan 8.250 nan 0.000 0.426 557 F N 1.374 121.295 119.950 -0.048 0.000 2.579 557 F HA 0.248 4.774 4.527 -0.001 0.000 0.325 557 F C 0.164 175.779 175.800 -0.308 0.000 1.162 557 F CA -0.971 56.946 58.000 -0.138 0.000 0.946 557 F CB 1.444 40.398 39.000 -0.076 0.000 1.211 557 F HN 0.444 nan 8.300 nan 0.000 0.447 558 N N 2.547 120.974 118.700 -0.455 0.000 2.470 558 N HA 0.096 4.835 4.740 -0.001 0.000 0.268 558 N C 0.979 176.345 175.510 -0.241 0.000 1.136 558 N CA 0.018 52.591 53.050 -0.795 0.000 0.961 558 N CB 1.548 39.452 38.487 -0.971 0.000 1.067 558 N HN 0.480 nan 8.380 nan 0.000 0.468 559 V N 4.699 124.521 119.914 -0.154 0.000 2.252 559 V HA -0.293 3.827 4.120 -0.001 0.000 0.249 559 V C 1.804 177.926 176.094 0.046 0.000 1.056 559 V CA 1.821 64.124 62.300 0.005 0.000 1.022 559 V CB -1.075 30.785 31.823 0.061 0.000 0.641 559 V HN 0.749 nan 8.190 nan 0.000 0.445 560 Y N 1.639 121.923 120.300 -0.026 0.000 2.128 560 Y HA -0.234 4.315 4.550 -0.001 0.000 0.284 560 Y C 2.548 178.484 175.900 0.060 0.000 1.154 560 Y CA 2.131 60.248 58.100 0.028 0.000 1.149 560 Y CB -0.343 38.136 38.460 0.032 0.000 0.976 560 Y HN 0.314 nan 8.280 nan 0.000 0.505 561 N N -0.927 117.837 118.700 0.107 0.000 2.309 561 N HA -0.123 4.616 4.740 -0.001 0.000 0.182 561 N C 1.649 177.217 175.510 0.096 0.000 1.018 561 N CA 1.725 54.846 53.050 0.118 0.000 0.876 561 N CB -0.498 38.117 38.487 0.213 0.000 0.972 561 N HN 0.397 nan 8.380 nan 0.000 0.434 562 T N 1.746 116.342 114.554 0.069 0.000 2.851 562 T HA -0.014 4.335 4.350 -0.001 0.000 0.262 562 T C 2.052 176.776 174.700 0.039 0.000 1.043 562 T CA 0.947 63.104 62.100 0.095 0.000 1.140 562 T CB -0.086 68.832 68.868 0.083 0.000 0.872 562 T HN 0.381 nan 8.240 nan 0.000 0.446 563 M N 1.935 121.520 119.600 -0.026 0.000 2.296 563 M HA 0.007 4.486 4.480 -0.001 0.000 0.265 563 M C 2.040 178.300 176.300 -0.067 0.000 1.064 563 M CA 1.766 57.041 55.300 -0.042 0.000 1.109 563 M CB -1.006 31.565 32.600 -0.047 0.000 1.396 563 M HN 0.209 nan 8.290 nan 0.000 0.430 564 T N -3.886 110.578 114.554 -0.151 0.000 3.069 564 T HA 0.145 4.494 4.350 -0.001 0.000 0.252 564 T C -0.043 174.654 174.700 -0.005 0.000 1.053 564 T CA -0.020 62.010 62.100 -0.117 0.000 0.964 564 T CB -0.320 68.339 68.868 -0.349 0.000 1.005 564 T HN 0.466 nan 8.240 nan 0.000 0.532 565 D N 1.356 121.781 120.400 0.042 0.000 2.697 565 D HA -0.109 4.530 4.640 -0.001 0.000 0.238 565 D C -0.742 175.504 176.300 -0.091 0.000 1.152 565 D CA 0.903 54.950 54.000 0.079 0.000 0.666 565 D CB -1.907 38.837 40.800 -0.094 0.000 1.037 565 D HN 0.435 nan 8.370 nan 0.000 0.423 566 T N 1.261 115.831 114.554 0.026 0.000 2.811 566 T HA 0.509 4.858 4.350 -0.001 0.000 0.309 566 T C -0.018 174.734 174.700 0.086 0.000 1.005 566 T CA -0.451 61.624 62.100 -0.042 0.000 0.955 566 T CB 0.327 69.200 68.868 0.009 0.000 0.970 566 T HN 0.278 nan 8.240 nan 0.000 0.496 567 Y N 0.000 120.369 120.300 0.114 0.000 2.660 567 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 567 Y CA 0.000 58.187 58.100 0.145 0.000 1.940 567 Y CB 0.000 38.587 38.460 0.212 0.000 1.050 567 Y HN 0.000 nan 8.280 nan 0.000 0.758