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 1hj4_1_B DATA FIRST_RESID 26 DATA SEQUENCE EPSLDNLAQQ DVAAPGAPEG VSALSDAQYN EANKIYFERC AGCHGVLRKG DATA SEQUENCE ATGKALTPDL TRDLGFDYLQ SFITYGSPAG MPNWGTSGEL SAEQVDLMAN DATA SEQUENCE YLLLDPAAPP EFGMKEMRES WKVHVAPEDR PTQQENDWDL ENLFSVTLRD DATA SEQUENCE AGQIALIDGA TYEIKSVLDT GYAVHISRLS ASGRYLFVIG RDGKVNMIDL DATA SEQUENCE WMKEPTTVAE IKIGSEARSI ETSKMEGWED KYAIAGAYWP PQYVIMDGET DATA SEQUENCE LEPKKIQSTR GMTYDEQEYH PEPRVAAILA SHYRPEFIVN VKETGKILLV DATA SEQUENCE DYTDLDNLKT 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 0.000 176.672 176.600 0.121 0.000 1.382 26 E CA 0.000 56.433 56.400 0.055 0.000 0.976 26 E CB 0.000 29.712 29.700 0.021 0.000 0.812 27 P HA 0.168 nan 4.420 nan 0.000 0.269 27 P C -0.560 176.850 177.300 0.184 0.000 1.215 27 P CA -0.237 63.008 63.100 0.241 0.000 0.780 27 P CB 0.639 32.561 31.700 0.370 0.000 0.898 28 S N 1.408 117.224 115.700 0.194 0.000 2.640 28 S HA 0.366 4.835 4.470 -0.001 0.000 0.320 28 S C -0.057 174.640 174.600 0.161 0.000 1.097 28 S CA -0.824 57.472 58.200 0.160 0.000 1.092 28 S CB -0.288 63.010 63.200 0.162 0.000 0.988 28 S HN 0.328 nan 8.310 nan 0.000 0.470 29 L N 5.756 127.067 121.223 0.146 0.000 2.648 29 L HA 0.285 4.625 4.340 -0.001 0.000 0.238 29 L C 1.343 178.278 176.870 0.108 0.000 1.316 29 L CA -0.406 54.514 54.840 0.134 0.000 1.241 29 L CB -0.311 41.830 42.059 0.136 0.000 1.499 29 L HN 0.728 nan 8.230 nan 0.000 0.411 30 D N -0.388 120.075 120.400 0.105 0.000 2.224 30 D HA -0.215 4.425 4.640 -0.001 0.000 0.205 30 D C 1.325 177.652 176.300 0.044 0.000 0.965 30 D CA 0.711 54.759 54.000 0.079 0.000 0.852 30 D CB 0.112 40.963 40.800 0.084 0.000 0.947 30 D HN 0.556 nan 8.370 nan 0.000 0.494 31 N N 0.885 119.610 118.700 0.041 0.000 2.171 31 N HA -0.089 4.650 4.740 -0.001 0.000 0.184 31 N C 2.217 177.719 175.510 -0.013 0.000 1.021 31 N CA 0.162 53.221 53.050 0.014 0.000 0.854 31 N CB 0.052 38.555 38.487 0.027 0.000 0.994 31 N HN 0.172 nan 8.380 nan 0.000 0.426 32 L N 0.856 122.045 121.223 -0.057 0.000 2.275 32 L HA -0.017 4.322 4.340 -0.001 0.000 0.215 32 L C 2.137 178.899 176.870 -0.180 0.000 1.119 32 L CA 0.801 55.519 54.840 -0.203 0.000 0.790 32 L CB -0.221 41.577 42.059 -0.435 0.000 0.919 32 L HN 0.167 nan 8.230 nan 0.000 0.443 33 A N -0.525 122.306 122.820 0.018 0.000 2.206 33 A HA -0.145 4.174 4.320 -0.001 0.000 0.211 33 A C 1.939 179.589 177.584 0.111 0.000 1.158 33 A CA 0.783 52.933 52.037 0.188 0.000 0.761 33 A CB -0.321 18.795 19.000 0.192 0.000 0.801 33 A HN 0.723 nan 8.150 nan 0.000 0.473 34 Q N -0.482 119.350 119.800 0.053 0.000 2.403 34 Q HA 0.082 4.422 4.340 -0.001 0.000 0.203 34 Q C 0.722 176.756 176.000 0.055 0.000 0.932 34 Q CA -0.044 55.784 55.803 0.042 0.000 0.945 34 Q CB -0.205 28.544 28.738 0.017 0.000 1.045 34 Q HN 0.703 nan 8.270 nan 0.000 0.511 35 Q N 1.406 121.248 119.800 0.070 0.000 2.267 35 Q HA 0.112 4.451 4.340 -0.001 0.000 0.255 35 Q C -1.082 174.987 176.000 0.114 0.000 0.923 35 Q CA -0.455 55.398 55.803 0.083 0.000 0.925 35 Q CB 1.019 29.799 28.738 0.070 0.000 1.195 35 Q HN 0.179 nan 8.270 nan 0.000 0.417 36 D N 3.942 124.404 120.400 0.102 0.000 2.313 36 D HA 0.198 4.838 4.640 -0.001 0.000 0.239 36 D C -0.299 176.081 176.300 0.134 0.000 1.142 36 D CA -0.035 54.033 54.000 0.113 0.000 0.847 36 D CB 1.394 42.246 40.800 0.086 0.000 1.082 36 D HN 0.433 nan 8.370 nan 0.000 0.480 37 V N -0.457 119.567 119.914 0.184 0.000 2.732 37 V HA 0.816 4.936 4.120 -0.001 0.000 0.310 37 V C 0.244 176.445 176.094 0.178 0.000 1.053 37 V CA -1.062 61.357 62.300 0.198 0.000 0.957 37 V CB 1.517 33.515 31.823 0.292 0.000 1.018 37 V HN 0.504 nan 8.190 nan 0.000 0.452 38 A N 2.657 125.533 122.820 0.094 0.000 2.351 38 A HA 0.774 5.094 4.320 -0.001 0.000 0.257 38 A C 0.706 178.236 177.584 -0.089 0.000 1.087 38 A CA -0.023 52.030 52.037 0.026 0.000 0.798 38 A CB 0.287 19.285 19.000 -0.002 0.000 1.033 38 A HN 2.197 nan 8.150 nan 0.000 0.488 39 A N 3.617 126.364 122.820 -0.122 0.000 2.451 39 A HA 0.536 4.855 4.320 -0.001 0.000 0.266 39 A C -1.555 175.811 177.584 -0.363 0.000 1.119 39 A CA -0.980 50.856 52.037 -0.336 0.000 0.786 39 A CB -0.694 18.233 19.000 -0.122 0.000 1.061 39 A HN 0.721 nan 8.150 nan 0.000 0.503 40 P HA 0.348 nan 4.420 nan 0.000 0.275 40 P C 0.459 177.620 177.300 -0.231 0.000 1.266 40 P CA -0.116 62.774 63.100 -0.350 0.000 0.793 40 P CB 0.533 31.990 31.700 -0.405 0.000 1.074 41 G N -1.187 107.521 108.800 -0.153 0.000 2.476 41 G HA2 0.520 4.480 3.960 -0.001 0.000 0.286 41 G HA3 0.520 4.480 3.960 -0.001 0.000 0.286 41 G C -0.975 173.869 174.900 -0.093 0.000 1.177 41 G CA -0.479 44.559 45.100 -0.103 0.000 0.870 41 G HN 0.632 nan 8.290 nan 0.000 0.528 42 A N 2.285 125.066 122.820 -0.066 0.000 2.304 42 A HA 0.761 5.081 4.320 -0.001 0.000 0.314 42 A C -1.680 175.879 177.584 -0.041 0.000 1.187 42 A CA -1.226 50.781 52.037 -0.051 0.000 0.810 42 A CB 0.936 19.913 19.000 -0.037 0.000 1.183 42 A HN 0.612 nan 8.150 nan 0.000 0.487 43 P HA 0.124 nan 4.420 nan 0.000 0.274 43 P C -0.146 177.138 177.300 -0.025 0.000 1.260 43 P CA -0.439 62.642 63.100 -0.032 0.000 0.793 43 P CB 0.440 32.121 31.700 -0.031 0.000 1.048 44 E N -0.568 119.619 120.200 -0.022 0.000 2.480 44 E HA 0.247 4.596 4.350 -0.001 0.000 0.258 44 E C 0.910 177.501 176.600 -0.016 0.000 0.984 44 E CA 0.877 57.266 56.400 -0.018 0.000 0.930 44 E CB -0.713 28.977 29.700 -0.016 0.000 0.936 44 E HN 0.759 nan 8.360 nan 0.000 0.466 45 G N 2.587 111.377 108.800 -0.016 0.000 2.157 45 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.239 45 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.239 45 G C -0.247 174.645 174.900 -0.012 0.000 0.982 45 G CA 0.016 45.109 45.100 -0.012 0.000 0.650 45 G HN 0.516 nan 8.290 nan 0.000 0.527 46 V N 1.040 120.944 119.914 -0.017 0.000 2.656 46 V HA 0.689 4.809 4.120 -0.001 0.000 0.307 46 V C 0.408 176.487 176.094 -0.025 0.000 1.051 46 V CA -0.417 61.874 62.300 -0.015 0.000 0.893 46 V CB 1.952 33.769 31.823 -0.010 0.000 0.999 46 V HN 0.346 nan 8.190 nan 0.000 0.426 47 S N 2.943 118.622 115.700 -0.035 0.000 2.565 47 S HA 0.707 5.176 4.470 -0.001 0.000 0.274 47 S C 0.333 174.923 174.600 -0.017 0.000 1.309 47 S CA -0.247 57.928 58.200 -0.040 0.000 1.043 47 S CB 1.509 64.663 63.200 -0.076 0.000 0.939 47 S HN 1.068 nan 8.310 nan 0.000 0.504 48 A N 2.805 125.617 122.820 -0.014 0.000 2.286 48 A HA 0.731 5.051 4.320 -0.001 0.000 0.286 48 A C -0.409 177.190 177.584 0.025 0.000 1.097 48 A CA -0.637 51.399 52.037 -0.003 0.000 0.821 48 A CB 0.248 19.236 19.000 -0.020 0.000 1.076 48 A HN 0.801 nan 8.150 nan 0.000 0.490 49 L N 1.169 122.427 121.223 0.059 0.000 2.334 49 L HA 0.425 4.764 4.340 -0.001 0.000 0.273 49 L C 0.958 177.879 176.870 0.084 0.000 1.013 49 L CA -0.676 54.225 54.840 0.102 0.000 0.816 49 L CB 2.050 44.236 42.059 0.212 0.000 1.278 49 L HN 0.957 nan 8.230 nan 0.000 0.431 50 S N -0.151 115.595 115.700 0.076 0.000 2.606 50 S HA 0.033 4.503 4.470 -0.001 0.000 0.257 50 S C 0.486 175.145 174.600 0.099 0.000 1.327 50 S CA -0.336 57.901 58.200 0.061 0.000 0.984 50 S CB 0.879 64.109 63.200 0.049 0.000 0.941 50 S HN 0.651 nan 8.310 nan 0.000 0.576 51 D N 1.272 121.716 120.400 0.074 0.000 2.104 51 D HA -0.009 4.631 4.640 -0.001 0.000 0.194 51 D C 2.254 178.629 176.300 0.126 0.000 0.994 51 D CA 1.986 56.046 54.000 0.100 0.000 0.830 51 D CB -0.703 40.134 40.800 0.062 0.000 0.959 51 D HN 0.680 nan 8.370 nan 0.000 0.452 52 A N 0.529 123.399 122.820 0.084 0.000 1.865 52 A HA -0.286 4.033 4.320 -0.001 0.000 0.217 52 A C 2.092 179.717 177.584 0.068 0.000 1.191 52 A CA 1.751 53.828 52.037 0.067 0.000 0.623 52 A CB -0.776 18.250 19.000 0.044 0.000 0.826 52 A HN 0.224 nan 8.150 nan 0.000 0.444 53 Q N -2.144 117.701 119.800 0.077 0.000 2.061 53 Q HA -0.226 4.113 4.340 -0.001 0.000 0.204 53 Q C 2.077 178.125 176.000 0.079 0.000 0.984 53 Q CA 1.955 57.798 55.803 0.066 0.000 0.846 53 Q CB -0.377 28.407 28.738 0.077 0.000 0.902 53 Q HN 0.817 nan 8.270 nan 0.000 0.421 54 Y N 1.678 122.006 120.300 0.047 0.000 2.181 54 Y HA -0.211 4.338 4.550 -0.001 0.000 0.288 54 Y C 1.950 177.891 175.900 0.069 0.000 1.146 54 Y CA 1.371 59.526 58.100 0.090 0.000 1.164 54 Y CB -0.080 38.434 38.460 0.089 0.000 0.982 54 Y HN 0.130 nan 8.280 nan 0.000 0.515 55 N N 0.357 119.136 118.700 0.132 0.000 2.120 55 N HA -0.217 4.523 4.740 -0.001 0.000 0.188 55 N C 1.895 177.370 175.510 -0.057 0.000 1.024 55 N CA 1.567 54.653 53.050 0.060 0.000 0.852 55 N CB -0.327 38.221 38.487 0.102 0.000 1.003 55 N HN 0.589 nan 8.380 nan 0.000 0.424 56 E N 0.802 120.965 120.200 -0.063 0.000 2.077 56 E HA -0.114 4.236 4.350 -0.001 0.000 0.193 56 E C 1.813 178.286 176.600 -0.211 0.000 0.989 56 E CA 1.027 57.367 56.400 -0.099 0.000 0.800 56 E CB 0.026 29.689 29.700 -0.062 0.000 0.746 56 E HN 0.300 nan 8.360 nan 0.000 0.452 57 A N 1.290 123.924 122.820 -0.310 0.000 1.930 57 A HA -0.200 4.120 4.320 -0.001 0.000 0.217 57 A C 2.046 179.095 177.584 -0.891 0.000 1.175 57 A CA 1.428 53.132 52.037 -0.556 0.000 0.627 57 A CB -0.777 17.891 19.000 -0.553 0.000 0.815 57 A HN 0.394 nan 8.150 nan 0.000 0.443 58 N N -0.167 118.069 118.700 -0.774 0.000 2.084 58 N HA -0.187 4.552 4.740 -0.001 0.000 0.190 58 N C 1.678 176.978 175.510 -0.350 0.000 1.030 58 N CA 1.620 54.292 53.050 -0.630 0.000 0.849 58 N CB -0.131 38.231 38.487 -0.207 0.000 1.012 58 N HN 0.524 nan 8.380 nan 0.000 0.423 59 K N 0.593 120.890 120.400 -0.171 0.000 2.057 59 K HA -0.084 4.235 4.320 -0.001 0.000 0.207 59 K C 2.200 178.726 176.600 -0.123 0.000 1.049 59 K CA 1.108 57.368 56.287 -0.046 0.000 0.931 59 K CB -0.105 32.376 32.500 -0.031 0.000 0.714 59 K HN 0.248 nan 8.250 nan 0.000 0.440 60 I N 0.131 120.557 120.570 -0.241 0.000 2.179 60 I HA -0.316 3.853 4.170 -0.001 0.000 0.242 60 I C 2.393 178.290 176.117 -0.366 0.000 1.088 60 I CA 1.278 62.403 61.300 -0.292 0.000 1.357 60 I CB -0.334 37.462 38.000 -0.340 0.000 1.051 60 I HN 0.138 nan 8.210 nan 0.000 0.409 61 Y N 1.442 121.389 120.300 -0.589 0.000 2.081 61 Y HA -0.325 4.224 4.550 -0.001 0.000 0.280 61 Y C 2.282 177.965 175.900 -0.362 0.000 1.163 61 Y CA 1.814 59.556 58.100 -0.596 0.000 1.135 61 Y CB -0.512 37.417 38.460 -0.886 0.000 0.970 61 Y HN -0.019 nan 8.280 nan 0.000 0.498 62 F N 0.531 120.394 119.950 -0.145 0.000 2.146 62 F HA -0.125 4.402 4.527 -0.001 0.000 0.298 62 F C 2.428 178.142 175.800 -0.144 0.000 1.096 62 F CA 1.716 59.641 58.000 -0.125 0.000 1.275 62 F CB -0.966 38.029 39.000 -0.010 0.000 1.008 62 F HN 0.114 nan 8.300 nan 0.000 0.480 63 E N -0.177 120.045 120.200 0.038 0.000 2.072 63 E HA -0.145 4.204 4.350 -0.001 0.000 0.191 63 E C 1.951 178.536 176.600 -0.026 0.000 0.985 63 E CA 1.168 57.577 56.400 0.016 0.000 0.801 63 E CB -0.048 29.651 29.700 -0.001 0.000 0.750 63 E HN 0.416 nan 8.360 nan 0.000 0.452 64 R N -1.415 118.992 120.500 -0.155 0.000 2.419 64 R HA 0.214 4.553 4.340 -0.001 0.000 0.235 64 R C 1.562 177.741 176.300 -0.201 0.000 0.899 64 R CA 0.097 56.105 56.100 -0.154 0.000 1.048 64 R CB 0.622 30.686 30.300 -0.394 0.000 1.182 64 R HN 0.157 nan 8.270 nan 0.000 0.544 65 C N -0.514 118.549 119.300 -0.394 0.000 2.735 65 C HA 0.359 4.818 4.460 -0.001 0.000 0.444 65 C C 2.530 177.272 174.990 -0.414 0.000 1.331 65 C CA 0.151 58.914 59.018 -0.426 0.000 2.225 65 C CB 0.255 27.532 27.740 -0.772 0.000 2.917 65 C HN 0.482 nan 8.230 nan 0.000 0.567 66 A N 1.543 124.025 122.820 -0.563 0.000 2.070 66 A HA 0.151 4.470 4.320 -0.001 0.000 0.220 66 A C 2.241 179.830 177.584 0.009 0.000 1.159 66 A CA 1.928 53.834 52.037 -0.218 0.000 0.656 66 A CB -1.066 17.973 19.000 0.065 0.000 0.800 66 A HN 0.560 nan 8.150 nan 0.000 0.453 67 G N -0.690 108.114 108.800 0.007 0.000 2.446 67 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.217 67 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.217 67 G C 1.545 176.450 174.900 0.008 0.000 1.168 67 G CA 1.489 46.618 45.100 0.047 0.000 0.771 67 G HN 0.535 nan 8.290 nan 0.000 0.551 68 C N -0.863 118.406 119.300 -0.052 0.000 2.507 68 C HA 0.226 4.685 4.460 -0.001 0.000 0.280 68 C C 2.316 177.178 174.990 -0.215 0.000 1.345 68 C CA 0.293 59.213 59.018 -0.163 0.000 1.736 68 C CB -0.749 26.826 27.740 -0.275 0.000 2.060 68 C HN 0.488 nan 8.230 nan 0.000 0.498 69 H N 0.336 119.447 119.070 0.069 0.000 2.563 69 H HA 0.280 4.835 4.556 -0.001 0.000 0.264 69 H C 1.343 176.775 175.328 0.173 0.000 0.957 69 H CA 1.248 57.370 56.048 0.124 0.000 1.173 69 H CB 0.014 29.878 29.762 0.170 0.000 1.420 69 H HN 0.548 nan 8.280 nan 0.000 0.551 70 G N 0.184 109.132 108.800 0.247 0.000 2.785 70 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.686 70 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.686 70 G C 0.818 175.910 174.900 0.320 0.000 1.155 70 G CA -0.159 45.090 45.100 0.248 0.000 0.760 70 G HN 0.091 nan 8.290 nan 0.000 0.624 71 V N 1.884 121.945 119.914 0.244 0.000 2.332 71 V HA -0.163 3.956 4.120 -0.001 0.000 0.248 71 V C 2.739 178.948 176.094 0.192 0.000 1.055 71 V CA 2.520 64.959 62.300 0.231 0.000 1.038 71 V CB -0.531 31.122 31.823 -0.284 0.000 0.651 71 V HN 0.576 nan 8.190 nan 0.000 0.450 72 L N -0.573 120.705 121.223 0.092 0.000 2.591 72 L HA 0.220 4.559 4.340 -0.001 0.000 0.228 72 L C 1.075 177.985 176.870 0.067 0.000 1.133 72 L CA 0.116 54.995 54.840 0.065 0.000 0.880 72 L CB -0.218 41.904 42.059 0.105 0.000 1.033 72 L HN 0.322 nan 8.230 nan 0.000 0.450 73 R N -0.987 119.595 120.500 0.138 0.000 3.770 73 R HA -0.205 4.134 4.340 -0.001 0.000 0.305 73 R C 0.739 177.097 176.300 0.098 0.000 1.184 73 R CA 0.358 56.536 56.100 0.130 0.000 0.823 73 R CB -1.579 28.702 30.300 -0.032 0.000 1.285 73 R HN 0.160 nan 8.270 nan 0.000 0.499 74 K N 0.743 121.203 120.400 0.100 0.000 2.426 74 K HA 0.153 4.472 4.320 -0.001 0.000 0.193 74 K C 0.855 177.499 176.600 0.072 0.000 1.028 74 K CA 1.063 57.375 56.287 0.042 0.000 1.047 74 K CB 0.660 33.138 32.500 -0.038 0.000 0.821 74 K HN 0.590 nan 8.250 nan 0.000 0.513 75 G N -0.941 107.953 108.800 0.156 0.000 2.785 75 G HA2 0.138 4.097 3.960 -0.001 0.000 0.686 75 G HA3 0.138 4.097 3.960 -0.001 0.000 0.686 75 G C 0.046 175.071 174.900 0.207 0.000 1.155 75 G CA -0.402 44.807 45.100 0.182 0.000 0.760 75 G HN 0.289 nan 8.290 nan 0.000 0.624 76 A N 0.510 123.438 122.820 0.180 0.000 1.730 76 A HA 0.711 5.030 4.320 -0.001 0.000 0.160 76 A C 1.835 179.524 177.584 0.175 0.000 1.746 76 A CA 1.588 53.765 52.037 0.234 0.000 1.283 76 A CB -0.211 18.890 19.000 0.169 0.000 0.995 76 A HN 1.456 nan 8.150 nan 0.000 0.764 77 T N 0.325 114.888 114.554 0.014 0.000 3.014 77 T HA 0.391 4.741 4.350 -0.001 0.000 0.250 77 T C 0.766 175.402 174.700 -0.106 0.000 1.060 77 T CA 0.707 62.744 62.100 -0.105 0.000 1.040 77 T CB 0.322 69.105 68.868 -0.141 0.000 0.971 77 T HN 0.691 nan 8.240 nan 0.000 0.497 78 G N 0.893 109.604 108.800 -0.147 0.000 2.489 78 G HA2 0.605 4.564 3.960 -0.001 0.000 0.327 78 G HA3 0.605 4.564 3.960 -0.001 0.000 0.327 78 G C -0.861 174.068 174.900 0.048 0.000 1.189 78 G CA -0.844 44.127 45.100 -0.214 0.000 0.962 78 G HN 0.168 nan 8.290 nan 0.000 0.486 79 K N -0.025 120.486 120.400 0.185 0.000 2.276 79 K HA 0.454 4.774 4.320 -0.001 0.000 0.259 79 K C 0.571 177.315 176.600 0.241 0.000 1.001 79 K CA -0.122 56.271 56.287 0.176 0.000 0.927 79 K CB 0.887 33.446 32.500 0.098 0.000 0.969 79 K HN 0.543 nan 8.250 nan 0.000 0.490 80 A N 2.116 125.012 122.820 0.127 0.000 2.477 80 A HA 0.127 4.447 4.320 -0.001 0.000 0.246 80 A C 0.313 177.914 177.584 0.028 0.000 1.078 80 A CA -0.040 52.052 52.037 0.091 0.000 0.770 80 A CB -0.195 18.831 19.000 0.042 0.000 1.011 80 A HN 0.716 nan 8.150 nan 0.000 0.494 81 L N 2.681 123.905 121.223 0.001 0.000 3.218 81 L HA 0.138 4.477 4.340 -0.001 0.000 0.279 81 L C 0.725 177.542 176.870 -0.089 0.000 1.287 81 L CA -0.212 54.580 54.840 -0.080 0.000 1.024 81 L CB -0.177 41.791 42.059 -0.152 0.000 1.409 81 L HN 0.895 nan 8.230 nan 0.000 0.580 82 T N -3.615 110.904 114.554 -0.059 0.000 2.900 82 T HA 0.145 4.495 4.350 -0.001 0.000 0.307 82 T C -1.693 172.962 174.700 -0.074 0.000 1.065 82 T CA -1.334 60.725 62.100 -0.068 0.000 1.105 82 T CB 0.940 69.784 68.868 -0.040 0.000 0.979 82 T HN -0.109 nan 8.240 nan 0.000 0.544 83 P HA -0.155 nan 4.420 nan 0.000 0.217 83 P C 1.448 178.717 177.300 -0.051 0.000 1.148 83 P CA 1.216 64.273 63.100 -0.071 0.000 0.828 83 P CB -0.023 31.631 31.700 -0.076 0.000 0.783 84 D N -0.309 120.064 120.400 -0.044 0.000 2.144 84 D HA -0.148 4.492 4.640 -0.001 0.000 0.199 84 D C 1.855 178.130 176.300 -0.041 0.000 0.984 84 D CA 1.201 55.179 54.000 -0.037 0.000 0.834 84 D CB -0.992 39.790 40.800 -0.030 0.000 0.955 84 D HN 0.229 nan 8.370 nan 0.000 0.465 85 L N 0.727 121.922 121.223 -0.047 0.000 2.127 85 L HA -0.039 4.300 4.340 -0.001 0.000 0.203 85 L C 2.914 179.742 176.870 -0.071 0.000 1.080 85 L CA 1.448 56.253 54.840 -0.058 0.000 0.768 85 L CB -0.748 41.279 42.059 -0.053 0.000 0.924 85 L HN 0.161 nan 8.230 nan 0.000 0.444 86 T N -2.425 112.092 114.554 -0.061 0.000 2.821 86 T HA -0.158 4.191 4.350 -0.001 0.000 0.267 86 T C 1.997 176.680 174.700 -0.029 0.000 1.046 86 T CA 0.766 62.836 62.100 -0.050 0.000 1.139 86 T CB -0.241 68.599 68.868 -0.046 0.000 0.871 86 T HN 0.210 nan 8.240 nan 0.000 0.454 87 R N 1.159 121.644 120.500 -0.026 0.000 2.115 87 R HA -0.012 4.327 4.340 -0.001 0.000 0.230 87 R C 2.159 178.448 176.300 -0.017 0.000 1.111 87 R CA 1.524 57.620 56.100 -0.008 0.000 0.976 87 R CB -0.298 29.995 30.300 -0.012 0.000 0.870 87 R HN 0.399 nan 8.270 nan 0.000 0.445 88 D N 0.563 120.937 120.400 -0.043 0.000 2.144 88 D HA -0.113 4.526 4.640 -0.001 0.000 0.200 88 D C 1.843 178.090 176.300 -0.089 0.000 0.978 88 D CA 0.997 54.963 54.000 -0.057 0.000 0.833 88 D CB -0.047 40.713 40.800 -0.067 0.000 0.961 88 D HN 0.166 nan 8.370 nan 0.000 0.470 89 L N -0.276 120.866 121.223 -0.134 0.000 2.072 89 L HA 0.113 4.453 4.340 -0.001 0.000 0.205 89 L C 1.264 178.102 176.870 -0.052 0.000 1.079 89 L CA 0.760 55.453 54.840 -0.245 0.000 0.752 89 L CB -0.709 41.128 42.059 -0.370 0.000 0.906 89 L HN 0.159 nan 8.230 nan 0.000 0.436 90 G N -1.499 107.320 108.800 0.032 0.000 2.690 90 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.686 90 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.686 90 G C -0.087 174.926 174.900 0.188 0.000 1.277 90 G CA -0.105 45.065 45.100 0.118 0.000 0.799 90 G HN 0.078 nan 8.290 nan 0.000 0.613 91 F N 0.927 120.925 119.950 0.080 0.000 2.065 91 F HA -0.100 4.427 4.527 -0.001 0.000 0.298 91 F C 2.339 178.208 175.800 0.115 0.000 1.112 91 F CA 2.782 60.833 58.000 0.085 0.000 1.212 91 F CB -0.063 38.972 39.000 0.058 0.000 0.975 91 F HN 0.517 nan 8.300 nan 0.000 0.476 92 D N -0.754 119.770 120.400 0.206 0.000 2.116 92 D HA -0.270 4.370 4.640 -0.001 0.000 0.193 92 D C 1.990 178.321 176.300 0.051 0.000 0.998 92 D CA 1.830 55.894 54.000 0.106 0.000 0.836 92 D CB -0.919 39.993 40.800 0.187 0.000 0.951 92 D HN 0.479 nan 8.370 nan 0.000 0.449 93 Y N 1.186 121.496 120.300 0.017 0.000 2.145 93 Y HA -0.163 4.387 4.550 -0.001 0.000 0.286 93 Y C 2.193 178.122 175.900 0.049 0.000 1.145 93 Y CA 1.362 59.496 58.100 0.057 0.000 1.148 93 Y CB -0.317 38.183 38.460 0.067 0.000 0.981 93 Y HN -0.071 nan 8.280 nan 0.000 0.507 94 L N 0.013 121.325 121.223 0.148 0.000 2.017 94 L HA -0.259 4.080 4.340 -0.001 0.000 0.208 94 L C 2.686 179.485 176.870 -0.118 0.000 1.073 94 L CA 1.899 56.755 54.840 0.026 0.000 0.745 94 L CB -0.819 41.221 42.059 -0.031 0.000 0.894 94 L HN 0.303 nan 8.230 nan 0.000 0.432 95 Q N -0.276 119.326 119.800 -0.329 0.000 2.061 95 Q HA -0.257 4.083 4.340 -0.001 0.000 0.204 95 Q C 2.419 178.341 176.000 -0.129 0.000 0.984 95 Q CA 2.229 57.831 55.803 -0.336 0.000 0.846 95 Q CB -0.068 28.344 28.738 -0.544 0.000 0.902 95 Q HN 0.399 nan 8.270 nan 0.000 0.421 96 S N -0.663 114.998 115.700 -0.066 0.000 2.356 96 S HA -0.150 4.319 4.470 -0.001 0.000 0.223 96 S C 1.662 176.286 174.600 0.041 0.000 1.032 96 S CA 1.035 59.262 58.200 0.045 0.000 1.005 96 S CB -0.459 62.751 63.200 0.017 0.000 0.867 96 S HN 0.517 nan 8.310 nan 0.000 0.449 97 F N 1.759 121.608 119.950 -0.168 0.000 2.171 97 F HA 0.114 4.640 4.527 -0.001 0.000 0.300 97 F C 1.919 177.710 175.800 -0.015 0.000 1.090 97 F CA 1.240 59.162 58.000 -0.129 0.000 1.293 97 F CB -0.253 38.617 39.000 -0.217 0.000 1.013 97 F HN 0.231 nan 8.300 nan 0.000 0.486 98 I N -1.268 119.428 120.570 0.210 0.000 2.546 98 I HA -0.254 3.915 4.170 -0.001 0.000 0.255 98 I C 2.098 178.279 176.117 0.106 0.000 1.163 98 I CA 1.269 62.688 61.300 0.197 0.000 1.457 98 I CB -0.653 37.391 38.000 0.072 0.000 1.092 98 I HN 0.079 nan 8.210 nan 0.000 0.434 99 T N -0.168 114.332 114.554 -0.090 0.000 2.698 99 T HA -0.132 4.218 4.350 -0.001 0.000 0.260 99 T C 1.440 175.851 174.700 -0.482 0.000 1.044 99 T CA 1.574 63.452 62.100 -0.369 0.000 1.149 99 T CB -0.244 68.200 68.868 -0.708 0.000 0.864 99 T HN 0.248 nan 8.240 nan 0.000 0.419 100 Y N 0.911 121.169 120.300 -0.070 0.000 2.478 100 Y HA 0.425 4.975 4.550 -0.001 0.000 0.261 100 Y C 1.771 177.574 175.900 -0.161 0.000 1.127 100 Y CA -0.271 57.758 58.100 -0.119 0.000 1.288 100 Y CB -0.483 37.884 38.460 -0.155 0.000 1.084 100 Y HN 0.406 nan 8.280 nan 0.000 0.530 101 G N 1.037 109.803 108.800 -0.056 0.000 2.633 101 G HA2 -0.107 3.852 3.960 -0.001 0.000 0.263 101 G HA3 -0.107 3.852 3.960 -0.001 0.000 0.263 101 G C -0.101 174.633 174.900 -0.277 0.000 1.310 101 G CA 0.061 45.109 45.100 -0.085 0.000 0.914 101 G HN 0.827 nan 8.290 nan 0.000 0.569 102 S N -1.722 113.884 115.700 -0.158 0.000 2.625 102 S HA 0.757 5.227 4.470 -0.001 0.000 0.271 102 S C -2.064 172.512 174.600 -0.040 0.000 1.161 102 S CA -0.079 58.024 58.200 -0.162 0.000 0.820 102 S CB 1.943 65.019 63.200 -0.207 0.000 1.137 102 S HN 0.562 nan 8.310 nan 0.000 0.470 103 P HA 0.177 nan 4.420 nan 0.000 0.222 103 P C 0.824 178.130 177.300 0.010 0.000 1.147 103 P CA 1.183 64.273 63.100 -0.017 0.000 0.790 103 P CB -0.189 31.499 31.700 -0.020 0.000 0.780 104 A N -0.392 122.455 122.820 0.046 0.000 2.416 104 A HA 0.499 4.819 4.320 -0.001 0.000 0.252 104 A C 1.436 179.056 177.584 0.060 0.000 1.353 104 A CA 0.469 52.541 52.037 0.058 0.000 0.996 104 A CB -1.475 17.579 19.000 0.090 0.000 0.961 104 A HN 0.259 nan 8.150 nan 0.000 0.523 105 G N -1.794 107.031 108.800 0.042 0.000 2.179 105 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.220 105 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.220 105 G C 0.027 174.964 174.900 0.061 0.000 0.990 105 G CA 0.263 45.380 45.100 0.028 0.000 0.646 105 G HN 0.880 nan 8.290 nan 0.000 0.517 106 M N 2.015 121.687 119.600 0.120 0.000 2.066 106 M HA 0.677 5.156 4.480 -0.001 0.000 0.340 106 M C -2.512 173.835 176.300 0.079 0.000 1.053 106 M CA -3.036 52.385 55.300 0.202 0.000 0.983 106 M CB 1.152 34.009 32.600 0.427 0.000 1.520 106 M HN -0.088 nan 8.290 nan 0.000 0.428 107 P HA 0.119 nan 4.420 nan 0.000 0.269 107 P C -1.027 176.031 177.300 -0.402 0.000 1.215 107 P CA 0.042 62.912 63.100 -0.384 0.000 0.780 107 P CB 0.255 31.443 31.700 -0.853 0.000 0.898 108 N N 2.127 120.608 118.700 -0.366 0.000 2.807 108 N HA 0.003 4.742 4.740 -0.001 0.000 0.259 108 N C 0.233 175.588 175.510 -0.259 0.000 1.149 108 N CA -0.348 52.568 53.050 -0.223 0.000 1.042 108 N CB -0.437 37.966 38.487 -0.140 0.000 1.367 108 N HN 0.466 nan 8.380 nan 0.000 0.516 109 W N 1.719 122.985 121.300 -0.057 0.000 2.338 109 W HA -0.006 4.653 4.660 -0.001 0.000 0.304 109 W C 2.229 178.693 176.519 -0.093 0.000 1.212 109 W CA 1.339 58.647 57.345 -0.061 0.000 1.264 109 W CB -0.323 29.108 29.460 -0.047 0.000 1.142 109 W HN 0.540 nan 8.180 nan 0.000 0.512 110 G N -0.351 108.475 108.800 0.043 0.000 2.425 110 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.213 110 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.213 110 G C 1.442 176.282 174.900 -0.100 0.000 1.201 110 G CA 1.810 46.870 45.100 -0.067 0.000 0.799 110 G HN 0.266 nan 8.290 nan 0.000 0.534 111 T N -0.206 114.255 114.554 -0.155 0.000 2.995 111 T HA -0.075 4.275 4.350 -0.001 0.000 0.269 111 T C 2.447 177.110 174.700 -0.061 0.000 1.091 111 T CA 1.756 63.800 62.100 -0.094 0.000 1.128 111 T CB -0.251 68.588 68.868 -0.048 0.000 0.891 111 T HN 0.403 nan 8.240 nan 0.000 0.492 112 S N 0.617 116.269 115.700 -0.079 0.000 2.470 112 S HA 0.391 4.860 4.470 -0.001 0.000 0.225 112 S C 2.088 176.661 174.600 -0.044 0.000 1.006 112 S CA 0.584 58.736 58.200 -0.080 0.000 0.934 112 S CB -0.659 62.453 63.200 -0.146 0.000 0.778 112 S HN 1.183 nan 8.310 nan 0.000 0.517 113 G N 1.091 109.879 108.800 -0.019 0.000 2.195 113 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.246 113 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.246 113 G C 0.759 175.685 174.900 0.043 0.000 0.984 113 G CA 0.373 45.477 45.100 0.006 0.000 0.633 113 G HN 0.425 nan 8.290 nan 0.000 0.525 114 E N -0.127 120.116 120.200 0.070 0.000 2.070 114 E HA -0.046 4.304 4.350 -0.001 0.000 0.197 114 E C 1.375 178.094 176.600 0.198 0.000 1.004 114 E CA 0.974 57.473 56.400 0.165 0.000 0.805 114 E CB -0.030 29.829 29.700 0.265 0.000 0.744 114 E HN 0.619 nan 8.360 nan 0.000 0.451 115 L N 1.368 122.717 121.223 0.209 0.000 2.329 115 L HA 0.179 4.519 4.340 -0.001 0.000 0.279 115 L C 0.548 177.450 176.870 0.054 0.000 1.014 115 L CA -0.731 54.175 54.840 0.110 0.000 0.814 115 L CB 1.850 43.964 42.059 0.091 0.000 1.257 115 L HN -0.027 nan 8.230 nan 0.000 0.424 116 S N 1.624 117.338 115.700 0.024 0.000 2.587 116 S HA 0.190 4.660 4.470 -0.001 0.000 0.260 116 S C 1.235 175.837 174.600 0.004 0.000 1.353 116 S CA 0.023 58.230 58.200 0.012 0.000 0.995 116 S CB 1.250 64.455 63.200 0.007 0.000 0.912 116 S HN 0.720 nan 8.310 nan 0.000 0.568 117 A N 0.784 123.605 122.820 0.002 0.000 1.933 117 A HA -0.084 4.236 4.320 -0.001 0.000 0.218 117 A C 2.209 179.801 177.584 0.013 0.000 1.175 117 A CA 1.355 53.392 52.037 0.000 0.000 0.628 117 A CB -0.826 18.177 19.000 0.006 0.000 0.814 117 A HN 0.866 nan 8.150 nan 0.000 0.444 118 E N 0.034 120.244 120.200 0.015 0.000 2.072 118 E HA -0.202 4.148 4.350 -0.001 0.000 0.191 118 E C 2.133 178.740 176.600 0.011 0.000 0.985 118 E CA 1.338 57.751 56.400 0.021 0.000 0.801 118 E CB -0.416 29.293 29.700 0.016 0.000 0.750 118 E HN 0.801 nan 8.360 nan 0.000 0.452 119 Q N 0.410 120.204 119.800 -0.010 0.000 2.119 119 Q HA -0.077 4.263 4.340 -0.001 0.000 0.201 119 Q C 2.399 178.369 176.000 -0.052 0.000 0.972 119 Q CA 0.946 56.724 55.803 -0.041 0.000 0.847 119 Q CB -0.002 28.704 28.738 -0.055 0.000 0.903 119 Q HN 0.075 nan 8.270 nan 0.000 0.433 120 V N 1.600 121.496 119.914 -0.030 0.000 2.287 120 V HA -0.276 3.844 4.120 -0.001 0.000 0.248 120 V C 1.519 177.600 176.094 -0.022 0.000 1.053 120 V CA 2.089 64.366 62.300 -0.039 0.000 1.027 120 V CB -0.477 31.323 31.823 -0.037 0.000 0.646 120 V HN 0.333 nan 8.190 nan 0.000 0.447 121 D N -0.053 120.371 120.400 0.039 0.000 2.144 121 D HA -0.122 4.518 4.640 -0.001 0.000 0.199 121 D C 2.140 178.539 176.300 0.165 0.000 0.984 121 D CA 1.080 55.175 54.000 0.158 0.000 0.834 121 D CB -0.297 40.641 40.800 0.231 0.000 0.955 121 D HN 0.337 nan 8.370 nan 0.000 0.465 122 L N -0.033 121.234 121.223 0.073 0.000 2.042 122 L HA -0.187 4.153 4.340 -0.001 0.000 0.210 122 L C 2.343 179.232 176.870 0.031 0.000 1.076 122 L CA 0.793 55.661 54.840 0.045 0.000 0.749 122 L CB -0.331 41.713 42.059 -0.026 0.000 0.893 122 L HN 0.073 nan 8.230 nan 0.000 0.432 123 M N -0.643 118.935 119.600 -0.037 0.000 2.175 123 M HA -0.090 4.389 4.480 -0.001 0.000 0.264 123 M C 2.569 178.892 176.300 0.040 0.000 1.063 123 M CA 1.769 57.033 55.300 -0.061 0.000 1.119 123 M CB -1.502 31.006 32.600 -0.153 0.000 1.377 123 M HN 0.255 nan 8.290 nan 0.000 0.415 124 A N 0.779 123.610 122.820 0.018 0.000 1.877 124 A HA -0.196 4.123 4.320 -0.001 0.000 0.216 124 A C 2.080 179.770 177.584 0.177 0.000 1.186 124 A CA 2.187 54.220 52.037 -0.008 0.000 0.620 124 A CB -1.127 17.674 19.000 -0.332 0.000 0.822 124 A HN 0.559 nan 8.150 nan 0.000 0.443 125 N N -1.823 117.057 118.700 0.300 0.000 2.120 125 N HA -0.171 4.569 4.740 -0.001 0.000 0.188 125 N C 1.628 177.253 175.510 0.192 0.000 1.024 125 N CA 1.585 54.800 53.050 0.276 0.000 0.852 125 N CB -0.421 38.206 38.487 0.232 0.000 1.003 125 N HN 0.635 nan 8.380 nan 0.000 0.424 126 Y N 1.374 121.689 120.300 0.024 0.000 2.207 126 Y HA -0.115 4.435 4.550 -0.001 0.000 0.287 126 Y C 1.643 177.499 175.900 -0.073 0.000 1.156 126 Y CA 1.346 59.419 58.100 -0.045 0.000 1.182 126 Y CB -0.160 38.171 38.460 -0.214 0.000 0.979 126 Y HN 0.048 nan 8.280 nan 0.000 0.521 127 L N -0.284 120.951 121.223 0.021 0.000 2.291 127 L HA -0.165 4.174 4.340 -0.001 0.000 0.214 127 L C 1.881 178.691 176.870 -0.101 0.000 1.120 127 L CA 0.704 55.486 54.840 -0.097 0.000 0.799 127 L CB -0.342 41.696 42.059 -0.034 0.000 0.925 127 L HN 0.325 nan 8.230 nan 0.000 0.446 128 L N -0.624 120.581 121.223 -0.030 0.000 2.509 128 L HA 0.076 4.415 4.340 -0.001 0.000 0.222 128 L C 0.698 177.536 176.870 -0.053 0.000 1.123 128 L CA 0.045 54.876 54.840 -0.014 0.000 0.856 128 L CB 0.046 42.141 42.059 0.059 0.000 0.985 128 L HN 0.162 nan 8.230 nan 0.000 0.456 129 L N -0.675 120.491 121.223 -0.096 0.000 2.375 129 L HA 0.260 4.600 4.340 -0.001 0.000 0.268 129 L C -0.161 176.609 176.870 -0.166 0.000 1.058 129 L CA -0.671 54.104 54.840 -0.108 0.000 0.803 129 L CB 0.973 42.995 42.059 -0.061 0.000 1.212 129 L HN -0.055 nan 8.230 nan 0.000 0.451 130 D N 3.071 123.388 120.400 -0.138 0.000 2.339 130 D HA 0.190 4.830 4.640 -0.001 0.000 0.241 130 D C -2.141 174.073 176.300 -0.142 0.000 1.183 130 D CA -0.880 53.042 54.000 -0.130 0.000 0.859 130 D CB 1.009 41.753 40.800 -0.092 0.000 1.067 130 D HN 0.237 nan 8.370 nan 0.000 0.484 131 P HA 0.162 nan 4.420 nan 0.000 0.276 131 P C -0.450 176.832 177.300 -0.029 0.000 1.243 131 P CA -0.465 62.572 63.100 -0.104 0.000 0.768 131 P CB 0.906 32.499 31.700 -0.179 0.000 0.856 132 A N 3.785 126.612 122.820 0.012 0.000 2.466 132 A HA 0.420 4.740 4.320 -0.001 0.000 0.238 132 A C 0.769 178.397 177.584 0.072 0.000 1.074 132 A CA -0.053 52.005 52.037 0.035 0.000 0.774 132 A CB -0.329 18.699 19.000 0.046 0.000 1.015 132 A HN 0.692 nan 8.150 nan 0.000 0.498 133 A N 3.186 126.054 122.820 0.079 0.000 2.511 133 A HA 0.508 4.827 4.320 -0.001 0.000 0.242 133 A C -1.948 175.717 177.584 0.134 0.000 1.069 133 A CA -0.834 51.273 52.037 0.117 0.000 0.763 133 A CB -0.781 18.303 19.000 0.140 0.000 1.001 133 A HN 0.684 nan 8.150 nan 0.000 0.498 134 P HA 0.283 nan 4.420 nan 0.000 0.272 134 P C -2.554 174.933 177.300 0.311 0.000 1.223 134 P CA -1.162 61.972 63.100 0.056 0.000 0.784 134 P CB -0.226 31.206 31.700 -0.447 0.000 0.923 135 P HA 0.061 nan 4.420 nan 0.000 0.268 135 P C -0.062 177.497 177.300 0.432 0.000 1.204 135 P CA 0.309 63.591 63.100 0.304 0.000 0.768 135 P CB 0.760 32.603 31.700 0.238 0.000 0.842 136 E N 1.367 121.725 120.200 0.263 0.000 2.351 136 E HA 0.343 4.692 4.350 -0.001 0.000 0.255 136 E C -0.799 175.916 176.600 0.192 0.000 1.188 136 E CA -0.208 56.288 56.400 0.158 0.000 0.940 136 E CB 0.484 30.221 29.700 0.062 0.000 1.094 136 E HN 0.422 nan 8.360 nan 0.000 0.474 137 F N 0.105 120.027 119.950 -0.045 0.000 3.228 137 F HA 0.347 4.873 4.527 -0.001 0.000 0.390 137 F C 0.179 175.941 175.800 -0.063 0.000 1.235 137 F CA -0.322 57.658 58.000 -0.033 0.000 1.236 137 F CB 0.642 39.626 39.000 -0.027 0.000 1.855 137 F HN 0.429 nan 8.300 nan 0.000 0.647 138 G N 2.091 110.799 108.800 -0.153 0.000 2.641 138 G HA2 0.249 4.208 3.960 -0.001 0.000 0.239 138 G HA3 0.249 4.208 3.960 -0.001 0.000 0.239 138 G C 0.754 175.571 174.900 -0.138 0.000 1.402 138 G CA -0.398 44.636 45.100 -0.110 0.000 1.046 138 G HN 0.521 nan 8.290 nan 0.000 0.565 139 M N -0.391 119.145 119.600 -0.106 0.000 2.117 139 M HA 0.047 4.526 4.480 -0.001 0.000 0.262 139 M C 2.306 178.547 176.300 -0.099 0.000 1.065 139 M CA 1.811 57.055 55.300 -0.092 0.000 1.114 139 M CB -0.398 32.155 32.600 -0.078 0.000 1.361 139 M HN 0.572 nan 8.290 nan 0.000 0.408 140 K N -0.439 119.893 120.400 -0.114 0.000 2.026 140 K HA -0.217 4.103 4.320 -0.001 0.000 0.208 140 K C 1.682 178.191 176.600 -0.152 0.000 1.048 140 K CA 2.020 58.246 56.287 -0.102 0.000 0.929 140 K CB -0.063 32.381 32.500 -0.095 0.000 0.713 140 K HN 0.350 nan 8.250 nan 0.000 0.439 141 E N 0.390 120.404 120.200 -0.310 0.000 2.072 141 E HA -0.140 4.209 4.350 -0.001 0.000 0.191 141 E C 1.990 178.377 176.600 -0.355 0.000 0.985 141 E CA 1.521 57.598 56.400 -0.539 0.000 0.801 141 E CB -0.077 28.857 29.700 -1.277 0.000 0.750 141 E HN 0.319 nan 8.360 nan 0.000 0.452 142 M N 0.049 119.529 119.600 -0.199 0.000 2.086 142 M HA -0.127 4.353 4.480 -0.001 0.000 0.261 142 M C 2.200 178.569 176.300 0.114 0.000 1.067 142 M CA 1.519 56.882 55.300 0.106 0.000 1.116 142 M CB -0.273 32.378 32.600 0.085 0.000 1.348 142 M HN -0.005 nan 8.290 nan 0.000 0.407 143 R N 0.260 120.800 120.500 0.067 0.000 2.120 143 R HA -0.123 4.217 4.340 -0.001 0.000 0.234 143 R C 1.917 178.340 176.300 0.205 0.000 1.123 143 R CA 1.178 57.392 56.100 0.190 0.000 0.975 143 R CB -0.329 30.055 30.300 0.140 0.000 0.866 143 R HN 0.535 nan 8.270 nan 0.000 0.446 144 E N 0.271 120.529 120.200 0.097 0.000 2.150 144 E HA -0.130 4.220 4.350 -0.001 0.000 0.193 144 E C 1.872 178.540 176.600 0.112 0.000 0.985 144 E CA 1.538 57.983 56.400 0.075 0.000 0.814 144 E CB 0.061 29.773 29.700 0.019 0.000 0.752 144 E HN 0.315 nan 8.360 nan 0.000 0.466 145 S N -0.161 115.638 115.700 0.166 0.000 2.528 145 S HA -0.068 4.401 4.470 -0.001 0.000 0.219 145 S C 0.308 175.044 174.600 0.228 0.000 0.985 145 S CA -0.548 57.769 58.200 0.194 0.000 0.914 145 S CB -0.199 63.159 63.200 0.263 0.000 0.776 145 S HN 0.308 nan 8.310 nan 0.000 0.526 146 W N 3.838 125.153 121.300 0.024 0.000 2.419 146 W HA 0.479 5.138 4.660 -0.001 0.000 0.312 146 W C -0.701 175.786 176.519 -0.054 0.000 1.323 146 W CA -1.269 56.072 57.345 -0.007 0.000 1.293 146 W CB 0.031 29.488 29.460 -0.005 0.000 1.324 146 W HN 0.019 nan 8.180 nan 0.000 0.512 147 K N 5.283 125.557 120.400 -0.211 0.000 2.426 147 K HA 0.461 4.780 4.320 -0.001 0.000 0.254 147 K C -1.344 174.869 176.600 -0.645 0.000 0.936 147 K CA -1.035 54.955 56.287 -0.496 0.000 0.801 147 K CB 2.281 34.537 32.500 -0.407 0.000 1.139 147 K HN 0.086 nan 8.250 nan 0.000 0.424 148 V N 4.910 124.410 119.914 -0.690 0.000 2.294 148 V HA 0.093 4.212 4.120 -0.001 0.000 0.272 148 V C 0.861 176.739 176.094 -0.359 0.000 1.027 148 V CA -0.571 61.455 62.300 -0.456 0.000 0.823 148 V CB 0.371 31.969 31.823 -0.376 0.000 1.030 148 V HN 0.831 nan 8.190 nan 0.000 0.457 149 H N 3.033 122.053 119.070 -0.083 0.000 2.333 149 H HA 0.082 4.638 4.556 -0.001 0.000 0.302 149 H C 0.463 175.764 175.328 -0.045 0.000 1.075 149 H CA 1.213 57.227 56.048 -0.056 0.000 1.348 149 H CB 0.556 30.300 29.762 -0.030 0.000 1.393 149 H HN 0.409 nan 8.280 nan 0.000 0.509 150 V N 1.619 121.578 119.914 0.076 0.000 2.349 150 V HA 0.440 4.560 4.120 -0.001 0.000 0.284 150 V C 0.246 176.347 176.094 0.011 0.000 1.014 150 V CA -0.968 61.356 62.300 0.040 0.000 0.826 150 V CB 1.018 32.875 31.823 0.055 0.000 1.009 150 V HN 0.353 nan 8.190 nan 0.000 0.431 151 A N 6.632 129.446 122.820 -0.010 0.000 2.520 151 A HA 0.374 4.694 4.320 -0.001 0.000 0.235 151 A C -1.065 176.527 177.584 0.013 0.000 1.065 151 A CA -0.507 51.523 52.037 -0.013 0.000 0.764 151 A CB -0.061 18.926 19.000 -0.021 0.000 1.002 151 A HN 0.667 nan 8.150 nan 0.000 0.502 152 P HA -0.201 nan 4.420 nan 0.000 0.216 152 P C 0.820 178.145 177.300 0.041 0.000 1.154 152 P CA 1.883 65.004 63.100 0.035 0.000 0.865 152 P CB 0.088 31.802 31.700 0.023 0.000 0.789 153 E N -0.702 119.514 120.200 0.027 0.000 2.153 153 E HA -0.159 4.191 4.350 -0.001 0.000 0.194 153 E C 1.280 177.898 176.600 0.029 0.000 0.988 153 E CA 1.185 57.600 56.400 0.026 0.000 0.811 153 E CB -0.851 28.858 29.700 0.015 0.000 0.746 153 E HN 0.355 nan 8.360 nan 0.000 0.466 154 D N 0.066 120.483 120.400 0.028 0.000 2.339 154 D HA 0.053 4.692 4.640 -0.001 0.000 0.217 154 D C 0.229 176.552 176.300 0.039 0.000 1.050 154 D CA 0.175 54.191 54.000 0.027 0.000 0.856 154 D CB 0.197 41.008 40.800 0.018 0.000 0.922 154 D HN 0.102 nan 8.370 nan 0.000 0.518 155 R N 1.011 121.545 120.500 0.056 0.000 2.543 155 R HA 0.397 4.737 4.340 -0.001 0.000 0.268 155 R C -2.228 174.125 176.300 0.089 0.000 1.067 155 R CA -1.475 54.671 56.100 0.077 0.000 1.142 155 R CB -0.069 30.294 30.300 0.106 0.000 1.110 155 R HN -0.122 nan 8.270 nan 0.000 0.549 156 P HA -0.027 nan 4.420 nan 0.000 0.268 156 P C 0.318 177.741 177.300 0.205 0.000 1.208 156 P CA 0.167 63.344 63.100 0.128 0.000 0.777 156 P CB 0.558 32.343 31.700 0.142 0.000 0.875 157 T N -2.398 112.248 114.554 0.154 0.000 3.069 157 T HA 0.134 4.483 4.350 -0.001 0.000 0.252 157 T C 0.388 175.194 174.700 0.177 0.000 1.053 157 T CA -0.038 62.173 62.100 0.186 0.000 0.964 157 T CB -0.203 68.719 68.868 0.090 0.000 1.005 157 T HN 0.640 nan 8.240 nan 0.000 0.532 158 Q N -0.223 119.564 119.800 -0.022 0.000 2.575 158 Q HA 0.352 4.692 4.340 -0.001 0.000 0.290 158 Q C -1.352 174.203 176.000 -0.742 0.000 0.963 158 Q CA -1.163 54.301 55.803 -0.565 0.000 0.783 158 Q CB 1.076 29.592 28.738 -0.370 0.000 1.467 158 Q HN 0.153 nan 8.270 nan 0.000 0.402 159 Q N 0.594 119.597 119.800 -1.329 0.000 2.274 159 Q HA -0.026 4.313 4.340 -0.001 0.000 0.280 159 Q C -0.525 175.216 176.000 -0.432 0.000 1.047 159 Q CA 0.730 55.955 55.803 -0.963 0.000 0.907 159 Q CB 0.494 28.672 28.738 -0.933 0.000 1.171 159 Q HN 0.653 nan 8.270 nan 0.000 0.381 160 E N 3.480 123.516 120.200 -0.273 0.000 2.609 160 E HA 0.102 4.451 4.350 -0.001 0.000 0.208 160 E C -1.033 175.445 176.600 -0.203 0.000 1.013 160 E CA -0.203 56.084 56.400 -0.189 0.000 1.093 160 E CB 0.219 29.847 29.700 -0.120 0.000 1.129 160 E HN 0.596 nan 8.360 nan 0.000 0.450 161 N N -0.689 117.857 118.700 -0.258 0.000 2.647 161 N HA 0.098 4.838 4.740 -0.001 0.000 0.266 161 N C -0.403 175.027 175.510 -0.132 0.000 1.373 161 N CA -0.823 52.057 53.050 -0.284 0.000 0.807 161 N CB 0.812 38.881 38.487 -0.698 0.000 1.513 161 N HN -0.175 nan 8.380 nan 0.000 0.505 162 D N -1.948 118.478 120.400 0.044 0.000 2.388 162 D HA 0.118 4.757 4.640 -0.001 0.000 0.221 162 D C -0.820 175.640 176.300 0.266 0.000 1.133 162 D CA -0.422 53.649 54.000 0.119 0.000 0.831 162 D CB -0.294 40.572 40.800 0.110 0.000 0.962 162 D HN 0.362 nan 8.370 nan 0.000 0.502 163 W N 1.298 122.593 121.300 -0.009 0.000 2.170 163 W HA 0.286 4.946 4.660 -0.001 0.000 0.336 163 W C 0.752 177.276 176.519 0.008 0.000 1.283 163 W CA -1.035 56.315 57.345 0.009 0.000 1.224 163 W CB 0.091 29.569 29.460 0.030 0.000 1.132 163 W HN -0.103 nan 8.180 nan 0.000 0.571 164 D N 2.903 123.444 120.400 0.234 0.000 2.483 164 D HA 0.096 4.736 4.640 -0.001 0.000 0.220 164 D C 1.169 177.577 176.300 0.180 0.000 1.173 164 D CA 0.095 54.182 54.000 0.147 0.000 0.964 164 D CB 0.179 41.027 40.800 0.080 0.000 1.046 164 D HN 0.322 nan 8.370 nan 0.000 0.517 165 L N 2.137 123.486 121.223 0.211 0.000 2.079 165 L HA -0.156 4.183 4.340 -0.001 0.000 0.210 165 L C 2.057 179.029 176.870 0.170 0.000 1.081 165 L CA 1.072 56.048 54.840 0.227 0.000 0.752 165 L CB -0.195 42.002 42.059 0.231 0.000 0.896 165 L HN 0.396 nan 8.230 nan 0.000 0.433 166 E N -0.244 120.047 120.200 0.152 0.000 2.268 166 E HA -0.200 4.150 4.350 -0.001 0.000 0.195 166 E C 1.122 177.778 176.600 0.092 0.000 0.995 166 E CA 0.825 57.320 56.400 0.159 0.000 0.836 166 E CB -0.085 29.724 29.700 0.183 0.000 0.763 166 E HN 0.342 nan 8.360 nan 0.000 0.491 167 N N 0.288 119.028 118.700 0.067 0.000 2.235 167 N HA 0.043 4.782 4.740 -0.001 0.000 0.209 167 N C -0.561 174.995 175.510 0.076 0.000 1.122 167 N CA -0.153 52.923 53.050 0.045 0.000 0.845 167 N CB 0.336 38.864 38.487 0.068 0.000 1.004 167 N HN -0.023 nan 8.380 nan 0.000 0.499 168 L N 0.700 121.963 121.223 0.067 0.000 2.397 168 L HA 0.405 4.744 4.340 -0.001 0.000 0.271 168 L C -0.927 175.941 176.870 -0.003 0.000 1.148 168 L CA 0.052 54.961 54.840 0.114 0.000 0.825 168 L CB 0.202 42.359 42.059 0.163 0.000 1.117 168 L HN -0.075 nan 8.230 nan 0.000 0.456 169 F N 2.690 122.564 119.950 -0.127 0.000 2.458 169 F HA 0.390 4.917 4.527 -0.001 0.000 0.336 169 F C 0.403 176.174 175.800 -0.047 0.000 1.114 169 F CA -0.379 57.496 58.000 -0.207 0.000 0.987 169 F CB 1.838 40.502 39.000 -0.561 0.000 1.130 169 F HN 0.402 nan 8.300 nan 0.000 0.458 170 S N 3.439 119.223 115.700 0.139 0.000 2.420 170 S HA 0.659 5.129 4.470 -0.001 0.000 0.313 170 S C -1.004 173.698 174.600 0.170 0.000 1.079 170 S CA -0.468 57.830 58.200 0.164 0.000 1.104 170 S CB 0.131 63.431 63.200 0.166 0.000 0.969 170 S HN 0.367 nan 8.310 nan 0.000 0.471 171 V N 5.533 125.530 119.914 0.138 0.000 2.409 171 V HA 0.368 4.487 4.120 -0.001 0.000 0.291 171 V C 0.414 176.543 176.094 0.058 0.000 1.020 171 V CA -0.811 61.544 62.300 0.093 0.000 0.848 171 V CB 1.694 33.587 31.823 0.117 0.000 0.990 171 V HN 0.856 nan 8.190 nan 0.000 0.430 172 T N 6.764 121.328 114.554 0.017 0.000 2.853 172 T HA 0.312 4.662 4.350 -0.001 0.000 0.298 172 T C 0.236 174.900 174.700 -0.060 0.000 0.978 172 T CA 0.165 62.248 62.100 -0.029 0.000 1.152 172 T CB 0.055 68.870 68.868 -0.088 0.000 0.914 172 T HN 0.408 nan 8.240 nan 0.000 0.539 173 L N 4.582 125.782 121.223 -0.039 0.000 2.494 173 L HA 0.355 4.694 4.340 -0.001 0.000 0.251 173 L C 1.906 178.735 176.870 -0.068 0.000 1.119 173 L CA -0.587 54.233 54.840 -0.032 0.000 1.026 173 L CB 0.053 42.118 42.059 0.010 0.000 1.370 173 L HN 0.693 nan 8.230 nan 0.000 0.426 174 R N 1.162 121.583 120.500 -0.131 0.000 2.196 174 R HA -0.243 4.096 4.340 -0.001 0.000 0.234 174 R C 1.041 177.201 176.300 -0.233 0.000 1.113 174 R CA 2.695 58.676 56.100 -0.199 0.000 0.899 174 R CB 0.119 30.286 30.300 -0.222 0.000 0.863 174 R HN 0.549 nan 8.270 nan 0.000 0.430 175 D N -0.640 119.721 120.400 -0.065 0.000 2.310 175 D HA -0.049 4.590 4.640 -0.001 0.000 0.212 175 D C 1.205 177.586 176.300 0.134 0.000 0.965 175 D CA 1.155 55.190 54.000 0.058 0.000 0.879 175 D CB 0.021 40.929 40.800 0.180 0.000 0.921 175 D HN 0.462 nan 8.370 nan 0.000 0.510 176 A N -0.067 122.790 122.820 0.062 0.000 2.238 176 A HA 0.424 4.744 4.320 -0.001 0.000 0.210 176 A C 1.734 179.372 177.584 0.091 0.000 1.179 176 A CA 0.681 52.773 52.037 0.092 0.000 0.827 176 A CB -0.267 18.773 19.000 0.065 0.000 0.856 176 A HN 0.181 nan 8.150 nan 0.000 0.488 177 G N -0.605 108.212 108.800 0.028 0.000 2.273 177 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.280 177 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.280 177 G C -0.092 174.834 174.900 0.044 0.000 1.047 177 G CA 0.794 45.922 45.100 0.046 0.000 0.869 177 G HN 0.677 nan 8.290 nan 0.000 0.502 178 Q N -1.390 118.421 119.800 0.019 0.000 2.605 178 Q HA 0.800 5.140 4.340 -0.001 0.000 0.296 178 Q C 0.194 176.209 176.000 0.026 0.000 1.056 178 Q CA -0.931 54.892 55.803 0.033 0.000 0.778 178 Q CB 2.184 30.949 28.738 0.044 0.000 1.497 178 Q HN 0.715 nan 8.270 nan 0.000 0.443 179 I N -2.540 118.057 120.570 0.044 0.000 2.828 179 I HA 0.949 5.119 4.170 -0.001 0.000 0.302 179 I C -1.272 174.888 176.117 0.072 0.000 1.101 179 I CA -1.241 60.092 61.300 0.055 0.000 1.031 179 I CB 2.218 40.259 38.000 0.069 0.000 1.231 179 I HN 0.556 nan 8.210 nan 0.000 0.427 180 A N 5.774 128.643 122.820 0.082 0.000 2.318 180 A HA 0.771 5.091 4.320 -0.001 0.000 0.317 180 A C -0.736 176.915 177.584 0.112 0.000 1.159 180 A CA -0.631 51.460 52.037 0.090 0.000 0.799 180 A CB 0.973 20.025 19.000 0.086 0.000 1.194 180 A HN 0.743 nan 8.150 nan 0.000 0.479 181 L N 3.892 125.179 121.223 0.107 0.000 2.261 181 L HA 0.447 4.787 4.340 -0.001 0.000 0.289 181 L C -0.656 176.235 176.870 0.034 0.000 1.059 181 L CA 0.061 54.966 54.840 0.109 0.000 0.816 181 L CB 0.448 42.610 42.059 0.172 0.000 1.191 181 L HN 0.550 nan 8.230 nan 0.000 0.431 182 I N 2.302 122.936 120.570 0.106 0.000 2.433 182 I HA 0.217 4.387 4.170 -0.001 0.000 0.292 182 I C 0.025 176.228 176.117 0.143 0.000 1.001 182 I CA -0.671 60.708 61.300 0.133 0.000 1.119 182 I CB 2.168 40.349 38.000 0.302 0.000 1.289 182 I HN 0.530 nan 8.210 nan 0.000 0.438 183 D N 4.708 125.121 120.400 0.022 0.000 2.417 183 D HA 0.015 4.654 4.640 -0.001 0.000 0.250 183 D C 1.166 177.543 176.300 0.129 0.000 1.166 183 D CA 0.288 54.286 54.000 -0.005 0.000 0.881 183 D CB 1.856 42.566 40.800 -0.150 0.000 1.164 183 D HN 0.818 nan 8.370 nan 0.000 0.467 184 G N 2.914 111.837 108.800 0.205 0.000 2.471 184 G HA2 -0.088 3.872 3.960 -0.001 0.000 0.219 184 G HA3 -0.088 3.872 3.960 -0.001 0.000 0.219 184 G C 1.101 176.050 174.900 0.082 0.000 1.125 184 G CA 0.893 46.195 45.100 0.337 0.000 0.775 184 G HN 0.572 nan 8.290 nan 0.000 0.548 185 A N 0.048 122.762 122.820 -0.177 0.000 2.013 185 A HA 0.235 4.554 4.320 -0.001 0.000 0.204 185 A C 2.394 179.493 177.584 -0.808 0.000 1.262 185 A CA 1.726 53.531 52.037 -0.387 0.000 0.800 185 A CB -0.219 18.673 19.000 -0.179 0.000 0.909 185 A HN 0.378 nan 8.150 nan 0.000 0.472 186 T N -5.615 108.572 114.554 -0.612 0.000 3.044 186 T HA 0.123 4.472 4.350 -0.001 0.000 0.250 186 T C 0.557 174.917 174.700 -0.565 0.000 1.081 186 T CA 0.881 62.651 62.100 -0.550 0.000 1.040 186 T CB -0.510 68.199 68.868 -0.264 0.000 0.962 186 T HN 0.710 nan 8.240 nan 0.000 0.506 187 Y N 0.254 120.471 120.300 -0.137 0.000 4.668 187 Y HA -0.185 4.365 4.550 -0.001 0.000 0.234 187 Y C 0.295 176.140 175.900 -0.091 0.000 1.056 187 Y CA 0.028 58.031 58.100 -0.162 0.000 2.025 187 Y CB -2.802 35.398 38.460 -0.432 0.000 1.613 187 Y HN 0.578 nan 8.280 nan 0.000 0.653 188 E N 1.387 121.569 120.200 -0.031 0.000 2.259 188 E HA 0.383 4.733 4.350 -0.001 0.000 0.281 188 E C 0.057 176.634 176.600 -0.039 0.000 1.037 188 E CA -0.469 55.906 56.400 -0.042 0.000 0.854 188 E CB 0.446 30.082 29.700 -0.106 0.000 1.051 188 E HN 0.350 nan 8.360 nan 0.000 0.409 189 I N 6.534 127.098 120.570 -0.010 0.000 2.471 189 I HA -0.065 4.104 4.170 -0.001 0.000 0.294 189 I C 1.359 177.432 176.117 -0.073 0.000 1.123 189 I CA -0.158 61.136 61.300 -0.011 0.000 1.336 189 I CB 0.336 38.349 38.000 0.021 0.000 1.430 189 I HN 0.470 nan 8.210 nan 0.000 0.533 190 K N 2.997 123.291 120.400 -0.176 0.000 2.097 190 K HA 0.033 4.353 4.320 -0.001 0.000 0.205 190 K C 0.712 177.268 176.600 -0.075 0.000 1.050 190 K CA 0.698 56.794 56.287 -0.319 0.000 0.938 190 K CB 0.054 31.983 32.500 -0.952 0.000 0.718 190 K HN 0.572 nan 8.250 nan 0.000 0.442 191 S N -0.684 115.022 115.700 0.010 0.000 2.543 191 S HA 0.363 4.832 4.470 -0.001 0.000 0.274 191 S C -1.767 172.889 174.600 0.093 0.000 1.149 191 S CA -0.797 57.469 58.200 0.111 0.000 0.866 191 S CB 1.568 64.915 63.200 0.246 0.000 1.111 191 S HN -0.170 nan 8.310 nan 0.000 0.457 192 V N 4.777 124.742 119.914 0.085 0.000 2.378 192 V HA 0.537 4.656 4.120 -0.001 0.000 0.288 192 V C -0.564 175.574 176.094 0.073 0.000 1.016 192 V CA -0.493 61.851 62.300 0.074 0.000 0.840 192 V CB 1.127 32.985 31.823 0.059 0.000 0.994 192 V HN 0.764 nan 8.190 nan 0.000 0.431 193 L N 3.995 125.263 121.223 0.074 0.000 2.334 193 L HA 0.602 4.941 4.340 -0.001 0.000 0.276 193 L C -0.219 176.683 176.870 0.053 0.000 1.014 193 L CA -0.645 54.233 54.840 0.064 0.000 0.815 193 L CB 1.875 43.976 42.059 0.070 0.000 1.268 193 L HN 0.529 nan 8.230 nan 0.000 0.428 194 D N 1.844 122.271 120.400 0.045 0.000 2.264 194 D HA 0.355 4.995 4.640 -0.001 0.000 0.250 194 D C 0.090 176.418 176.300 0.047 0.000 1.113 194 D CA 0.193 54.222 54.000 0.047 0.000 0.871 194 D CB 2.127 42.954 40.800 0.045 0.000 1.167 194 D HN 0.668 nan 8.370 nan 0.000 0.447 195 T N -1.513 113.074 114.554 0.055 0.000 2.550 195 T HA 0.559 4.909 4.350 -0.001 0.000 0.256 195 T C 0.599 175.343 174.700 0.074 0.000 0.866 195 T CA -0.892 61.243 62.100 0.058 0.000 1.163 195 T CB 0.601 69.498 68.868 0.048 0.000 1.460 195 T HN 0.225 nan 8.240 nan 0.000 0.498 196 G N -0.463 108.381 108.800 0.073 0.000 2.569 196 G HA2 0.414 4.373 3.960 -0.001 0.000 0.249 196 G HA3 0.414 4.373 3.960 -0.001 0.000 0.249 196 G C -0.901 174.067 174.900 0.114 0.000 1.216 196 G CA -0.536 44.622 45.100 0.097 0.000 0.845 196 G HN 0.689 nan 8.290 nan 0.000 0.568 197 Y N 1.399 121.725 120.300 0.043 0.000 2.620 197 Y HA 0.267 4.817 4.550 -0.001 0.000 0.330 197 Y C 0.940 176.873 175.900 0.055 0.000 1.186 197 Y CA 0.403 58.533 58.100 0.049 0.000 1.467 197 Y CB 0.318 38.809 38.460 0.051 0.000 1.262 197 Y HN 1.320 nan 8.280 nan 0.000 0.550 198 A N 4.218 126.603 122.820 -0.724 0.000 2.312 198 A HA -0.138 4.182 4.320 -0.001 0.000 0.286 198 A C 0.207 177.690 177.584 -0.167 0.000 1.425 198 A CA 0.564 52.285 52.037 -0.527 0.000 0.748 198 A CB -2.780 15.843 19.000 -0.630 0.000 1.126 198 A HN 1.708 nan 8.150 nan 0.000 0.368 199 V N -1.029 118.822 119.914 -0.105 0.000 2.681 199 V HA 0.134 4.254 4.120 -0.001 0.000 0.306 199 V C 1.263 177.343 176.094 -0.024 0.000 1.077 199 V CA 1.380 63.665 62.300 -0.025 0.000 1.224 199 V CB 0.375 32.193 31.823 -0.009 0.000 0.879 199 V HN 0.740 nan 8.190 nan 0.000 0.494 200 H N 4.812 123.854 119.070 -0.046 0.000 2.399 200 H HA 0.428 4.983 4.556 -0.001 0.000 0.300 200 H C 0.642 175.979 175.328 0.015 0.000 1.048 200 H CA 1.575 57.609 56.048 -0.023 0.000 1.370 200 H CB 0.381 30.121 29.762 -0.037 0.000 1.428 200 H HN 0.873 nan 8.280 nan 0.000 0.534 201 I N -2.953 117.624 120.570 0.012 0.000 3.006 201 I HA 0.506 4.676 4.170 -0.001 0.000 0.306 201 I C -1.025 174.943 176.117 -0.248 0.000 1.250 201 I CA -1.046 60.153 61.300 -0.169 0.000 0.996 201 I CB 2.732 40.555 38.000 -0.295 0.000 1.261 201 I HN -0.258 nan 8.210 nan 0.000 0.442 202 S N 2.792 118.170 115.700 -0.537 0.000 2.472 202 S HA 0.703 5.172 4.470 -0.001 0.000 0.303 202 S C -0.580 173.745 174.600 -0.458 0.000 1.099 202 S CA -0.830 57.186 58.200 -0.306 0.000 1.077 202 S CB 1.244 64.434 63.200 -0.016 0.000 1.031 202 S HN 0.444 nan 8.310 nan 0.000 0.487 203 R N 1.715 122.122 120.500 -0.155 0.000 2.795 203 R HA 0.536 4.875 4.340 -0.001 0.000 0.275 203 R C -1.436 174.923 176.300 0.099 0.000 0.981 203 R CA -0.815 55.233 56.100 -0.086 0.000 0.917 203 R CB 1.300 31.535 30.300 -0.109 0.000 1.202 203 R HN 0.420 nan 8.270 nan 0.000 0.469 204 L N 1.510 122.786 121.223 0.088 0.000 2.334 204 L HA 0.368 4.708 4.340 -0.001 0.000 0.276 204 L C 0.944 177.914 176.870 0.166 0.000 1.014 204 L CA -0.371 54.558 54.840 0.149 0.000 0.815 204 L CB 1.769 43.876 42.059 0.080 0.000 1.268 204 L HN 0.801 nan 8.230 nan 0.000 0.428 205 S N 1.494 117.354 115.700 0.267 0.000 2.580 205 S HA 0.188 4.658 4.470 -0.001 0.000 0.266 205 S C 1.277 175.928 174.600 0.086 0.000 1.354 205 S CA 0.162 58.487 58.200 0.208 0.000 1.008 205 S CB 0.911 64.311 63.200 0.335 0.000 0.898 205 S HN 0.714 nan 8.310 nan 0.000 0.555 206 A N 1.430 124.280 122.820 0.050 0.000 2.070 206 A HA -0.004 4.315 4.320 -0.001 0.000 0.220 206 A C 2.345 179.941 177.584 0.020 0.000 1.159 206 A CA 1.563 53.612 52.037 0.021 0.000 0.656 206 A CB -1.294 17.713 19.000 0.011 0.000 0.800 206 A HN 1.317 nan 8.150 nan 0.000 0.453 207 S N -2.410 113.299 115.700 0.015 0.000 2.501 207 S HA 0.366 4.836 4.470 -0.001 0.000 0.220 207 S C 1.510 176.112 174.600 0.003 0.000 0.997 207 S CA 1.088 59.288 58.200 -0.001 0.000 0.919 207 S CB -0.164 62.999 63.200 -0.062 0.000 0.778 207 S HN 1.845 nan 8.310 nan 0.000 0.523 208 G N 1.828 110.627 108.800 -0.002 0.000 2.176 208 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.253 208 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.253 208 G C 0.824 175.687 174.900 -0.061 0.000 0.979 208 G CA 0.456 45.567 45.100 0.019 0.000 0.641 208 G HN 0.599 nan 8.290 nan 0.000 0.530 209 R N -0.874 119.458 120.500 -0.279 0.000 2.062 209 R HA 0.201 4.541 4.340 -0.001 0.000 0.226 209 R C 0.331 176.253 176.300 -0.629 0.000 1.125 209 R CA 0.773 56.451 56.100 -0.703 0.000 0.966 209 R CB -0.008 29.439 30.300 -1.421 0.000 0.861 209 R HN 0.351 nan 8.270 nan 0.000 0.433 210 Y N 0.645 120.832 120.300 -0.189 0.000 2.330 210 Y HA 0.323 4.872 4.550 -0.001 0.000 0.336 210 Y C -0.513 175.287 175.900 -0.166 0.000 1.036 210 Y CA -1.221 56.742 58.100 -0.228 0.000 1.125 210 Y CB 1.597 39.895 38.460 -0.270 0.000 1.194 210 Y HN 0.005 nan 8.280 nan 0.000 0.469 211 L N 4.981 126.151 121.223 -0.089 0.000 2.280 211 L HA 0.591 4.931 4.340 -0.001 0.000 0.287 211 L C -1.739 175.000 176.870 -0.219 0.000 1.023 211 L CA -0.590 54.222 54.840 -0.047 0.000 0.819 211 L CB -0.164 41.900 42.059 0.008 0.000 1.212 211 L HN 0.361 nan 8.230 nan 0.000 0.420 212 F N 5.216 125.173 119.950 0.013 0.000 2.436 212 F HA 0.662 5.189 4.527 -0.001 0.000 0.340 212 F C 0.149 175.925 175.800 -0.040 0.000 1.113 212 F CA -0.623 57.368 58.000 -0.015 0.000 1.022 212 F CB 1.912 40.884 39.000 -0.046 0.000 1.128 212 F HN 0.397 nan 8.300 nan 0.000 0.466 213 V N 2.418 122.402 119.914 0.116 0.000 2.823 213 V HA 0.692 4.812 4.120 -0.001 0.000 0.312 213 V C -1.051 175.075 176.094 0.054 0.000 1.072 213 V CA -0.939 61.395 62.300 0.056 0.000 0.937 213 V CB 2.077 33.924 31.823 0.039 0.000 1.013 213 V HN 0.761 nan 8.190 nan 0.000 0.430 214 I N 2.939 123.522 120.570 0.022 0.000 2.447 214 I HA 0.808 4.977 4.170 -0.001 0.000 0.287 214 I C 0.663 176.790 176.117 0.016 0.000 1.023 214 I CA -0.249 61.057 61.300 0.010 0.000 1.083 214 I CB 1.298 39.282 38.000 -0.026 0.000 1.245 214 I HN 1.024 nan 8.210 nan 0.000 0.434 215 G N 5.439 114.251 108.800 0.021 0.000 2.572 215 G HA2 0.250 4.210 3.960 -0.001 0.000 0.261 215 G HA3 0.250 4.210 3.960 -0.001 0.000 0.261 215 G C 0.496 175.410 174.900 0.023 0.000 1.197 215 G CA -0.535 44.586 45.100 0.035 0.000 0.870 215 G HN 0.787 nan 8.290 nan 0.000 0.548 216 R N -0.167 120.366 120.500 0.055 0.000 2.152 216 R HA -0.088 4.252 4.340 -0.001 0.000 0.232 216 R C 1.523 177.835 176.300 0.020 0.000 1.117 216 R CA 1.543 57.663 56.100 0.032 0.000 0.981 216 R CB -0.008 30.363 30.300 0.117 0.000 0.870 216 R HN 0.680 nan 8.270 nan 0.000 0.451 217 D N -0.787 119.649 120.400 0.060 0.000 2.363 217 D HA 0.038 4.678 4.640 -0.001 0.000 0.226 217 D C 1.103 177.374 176.300 -0.048 0.000 1.020 217 D CA 0.762 54.778 54.000 0.027 0.000 0.892 217 D CB 0.055 40.895 40.800 0.067 0.000 0.900 217 D HN 0.287 nan 8.370 nan 0.000 0.531 218 G N -0.077 108.683 108.800 -0.066 0.000 2.157 218 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.248 218 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.248 218 G C 0.209 175.058 174.900 -0.084 0.000 0.979 218 G CA 0.126 45.155 45.100 -0.119 0.000 0.650 218 G HN 0.559 nan 8.290 nan 0.000 0.529 219 K N 0.865 121.251 120.400 -0.022 0.000 2.258 219 K HA 0.598 4.917 4.320 -0.001 0.000 0.284 219 K C 0.103 176.724 176.600 0.035 0.000 1.051 219 K CA -0.399 55.901 56.287 0.020 0.000 0.923 219 K CB 1.188 33.720 32.500 0.053 0.000 1.046 219 K HN 0.170 nan 8.250 nan 0.000 0.474 220 V N 5.631 125.577 119.914 0.053 0.000 2.398 220 V HA 0.377 4.496 4.120 -0.001 0.000 0.286 220 V C -0.233 175.920 176.094 0.098 0.000 1.026 220 V CA -0.857 61.488 62.300 0.074 0.000 0.868 220 V CB 1.465 33.337 31.823 0.081 0.000 0.982 220 V HN 0.831 nan 8.190 nan 0.000 0.443 221 N N 4.496 123.248 118.700 0.086 0.000 2.321 221 N HA 0.567 5.307 4.740 -0.001 0.000 0.299 221 N C -0.996 174.510 175.510 -0.007 0.000 1.048 221 N CA -0.596 52.492 53.050 0.064 0.000 0.836 221 N CB 2.532 41.050 38.487 0.053 0.000 1.269 221 N HN 0.579 nan 8.380 nan 0.000 0.486 222 M N 3.563 123.116 119.600 -0.079 0.000 2.181 222 M HA 0.482 4.962 4.480 -0.001 0.000 0.323 222 M C -1.647 174.540 176.300 -0.188 0.000 1.004 222 M CA -0.532 54.562 55.300 -0.343 0.000 0.941 222 M CB 0.944 33.306 32.600 -0.396 0.000 1.579 222 M HN 0.460 nan 8.290 nan 0.000 0.427 223 I N 3.602 124.059 120.570 -0.188 0.000 2.433 223 I HA 0.280 4.450 4.170 -0.001 0.000 0.292 223 I C -0.699 175.428 176.117 0.017 0.000 1.001 223 I CA -0.659 60.614 61.300 -0.045 0.000 1.119 223 I CB 1.863 39.853 38.000 -0.017 0.000 1.289 223 I HN 0.570 nan 8.210 nan 0.000 0.438 224 D N 6.542 126.973 120.400 0.051 0.000 2.380 224 D HA 0.235 4.875 4.640 -0.001 0.000 0.230 224 D C 0.655 176.913 176.300 -0.070 0.000 1.154 224 D CA -0.091 53.912 54.000 0.005 0.000 0.859 224 D CB 1.107 41.958 40.800 0.086 0.000 1.045 224 D HN 0.431 nan 8.370 nan 0.000 0.495 225 L N 2.805 123.956 121.223 -0.120 0.000 2.610 225 L HA 0.022 4.362 4.340 -0.001 0.000 0.232 225 L C 1.101 178.010 176.870 0.064 0.000 1.149 225 L CA 0.069 54.889 54.840 -0.033 0.000 0.872 225 L CB -0.007 42.074 42.059 0.036 0.000 0.992 225 L HN 0.483 nan 8.230 nan 0.000 0.447 226 W N -0.240 120.917 121.300 -0.238 0.000 3.003 226 W HA 0.156 4.815 4.660 -0.001 0.000 0.257 226 W C 1.041 177.427 176.519 -0.221 0.000 1.308 226 W CA -0.761 56.451 57.345 -0.222 0.000 1.529 226 W CB -0.335 29.006 29.460 -0.197 0.000 1.115 226 W HN 0.011 nan 8.180 nan 0.000 0.659 227 M N 0.708 120.300 119.600 -0.014 0.000 2.245 227 M HA -0.002 4.477 4.480 -0.001 0.000 0.330 227 M C 1.876 178.055 176.300 -0.202 0.000 1.098 227 M CA 0.119 55.373 55.300 -0.077 0.000 1.172 227 M CB 0.726 33.289 32.600 -0.060 0.000 1.467 227 M HN -0.337 nan 8.290 nan 0.000 0.454 228 K N 1.629 121.939 120.400 -0.150 0.000 2.044 228 K HA -0.135 4.185 4.320 -0.001 0.000 0.210 228 K C -0.137 176.344 176.600 -0.199 0.000 1.049 228 K CA 1.755 57.942 56.287 -0.167 0.000 0.927 228 K CB 0.212 32.664 32.500 -0.080 0.000 0.713 228 K HN 0.614 nan 8.250 nan 0.000 0.443 229 E N 0.626 120.749 120.200 -0.130 0.000 2.795 229 E HA 0.216 4.566 4.350 -0.001 0.000 0.226 229 E C -2.530 174.028 176.600 -0.070 0.000 1.088 229 E CA -2.073 54.285 56.400 -0.070 0.000 0.812 229 E CB 1.426 31.134 29.700 0.012 0.000 1.328 229 E HN 0.079 nan 8.360 nan 0.000 0.410 230 P HA -0.118 nan 4.420 nan 0.000 0.261 230 P C -0.292 177.014 177.300 0.010 0.000 1.165 230 P CA 0.669 63.721 63.100 -0.080 0.000 0.759 230 P CB 0.773 32.409 31.700 -0.106 0.000 0.772 231 T N 1.338 115.896 114.554 0.006 0.000 2.731 231 T HA 0.345 4.694 4.350 -0.001 0.000 0.300 231 T C -0.882 173.823 174.700 0.008 0.000 1.283 231 T CA -0.509 61.597 62.100 0.010 0.000 1.005 231 T CB 0.653 69.516 68.868 -0.009 0.000 1.420 231 T HN 0.117 nan 8.240 nan 0.000 0.503 232 T N 2.176 116.728 114.554 -0.004 0.000 2.817 232 T HA 0.272 4.621 4.350 -0.001 0.000 0.295 232 T C 1.600 176.346 174.700 0.078 0.000 0.958 232 T CA 0.232 62.347 62.100 0.025 0.000 1.157 232 T CB 0.559 69.444 68.868 0.027 0.000 0.898 232 T HN 0.617 nan 8.240 nan 0.000 0.536 233 V N 0.741 120.712 119.914 0.096 0.000 3.565 233 V HA 0.714 4.833 4.120 -0.001 0.000 0.260 233 V C 0.609 176.777 176.094 0.124 0.000 1.231 233 V CA 0.341 62.711 62.300 0.117 0.000 1.100 233 V CB -0.604 31.258 31.823 0.065 0.000 0.807 233 V HN 0.927 nan 8.190 nan 0.000 0.454 234 A N 0.813 123.705 122.820 0.121 0.000 2.589 234 A HA 0.776 5.095 4.320 -0.001 0.000 0.296 234 A C -0.934 176.727 177.584 0.128 0.000 1.062 234 A CA -0.251 51.828 52.037 0.070 0.000 0.686 234 A CB 1.505 20.549 19.000 0.075 0.000 1.282 234 A HN 0.651 nan 8.150 nan 0.000 0.404 235 E N 0.795 121.074 120.200 0.132 0.000 2.413 235 E HA 0.855 5.205 4.350 -0.001 0.000 0.277 235 E C -1.393 175.349 176.600 0.236 0.000 0.958 235 E CA -0.746 55.758 56.400 0.173 0.000 0.779 235 E CB 2.223 32.036 29.700 0.189 0.000 1.278 235 E HN 0.921 nan 8.360 nan 0.000 0.456 236 I N 0.128 120.815 120.570 0.195 0.000 2.882 236 I HA 0.351 4.521 4.170 -0.001 0.000 0.298 236 I C -2.035 174.161 176.117 0.133 0.000 1.462 236 I CA -0.758 60.663 61.300 0.202 0.000 1.000 236 I CB 2.288 40.391 38.000 0.171 0.000 1.340 236 I HN 0.652 nan 8.210 nan 0.000 0.462 237 K N 5.325 125.819 120.400 0.155 0.000 2.244 237 K HA 0.496 4.815 4.320 -0.001 0.000 0.260 237 K C -0.059 176.566 176.600 0.042 0.000 0.951 237 K CA -0.511 55.812 56.287 0.059 0.000 0.826 237 K CB 1.372 33.922 32.500 0.083 0.000 1.108 237 K HN 0.596 nan 8.250 nan 0.000 0.433 238 I N -0.073 120.411 120.570 -0.143 0.000 4.082 238 I HA 0.468 4.637 4.170 -0.001 0.000 0.337 238 I C 0.323 176.277 176.117 -0.272 0.000 1.352 238 I CA -0.155 61.088 61.300 -0.096 0.000 1.097 238 I CB 1.132 39.092 38.000 -0.067 0.000 1.048 238 I HN 0.649 nan 8.210 nan 0.000 0.393 239 G N -0.249 108.145 108.800 -0.676 0.000 2.325 239 G HA2 0.315 4.274 3.960 -0.001 0.000 0.295 239 G HA3 0.315 4.274 3.960 -0.001 0.000 0.295 239 G C -0.368 174.182 174.900 -0.583 0.000 1.274 239 G CA 0.144 44.869 45.100 -0.625 0.000 0.857 239 G HN -0.157 nan 8.290 nan 0.000 0.499 240 S N -0.396 115.173 115.700 -0.217 0.000 2.468 240 S HA 0.289 4.758 4.470 -0.001 0.000 0.226 240 S C 0.194 174.783 174.600 -0.020 0.000 1.051 240 S CA 0.623 58.779 58.200 -0.072 0.000 0.943 240 S CB 0.165 63.436 63.200 0.119 0.000 0.810 240 S HN 0.440 nan 8.310 nan 0.000 0.509 241 E N 0.485 120.703 120.200 0.030 0.000 2.263 241 E HA 0.713 5.062 4.350 -0.001 0.000 0.268 241 E C -1.078 175.482 176.600 -0.068 0.000 0.884 241 E CA -0.293 56.121 56.400 0.024 0.000 0.766 241 E CB 2.062 31.851 29.700 0.148 0.000 1.196 241 E HN 0.238 nan 8.360 nan 0.000 0.416 242 A N 2.582 125.290 122.820 -0.186 0.000 2.572 242 A HA 0.726 5.045 4.320 -0.001 0.000 0.295 242 A C -0.006 177.349 177.584 -0.382 0.000 1.072 242 A CA -0.543 51.335 52.037 -0.265 0.000 0.691 242 A CB 1.457 20.360 19.000 -0.161 0.000 1.291 242 A HN 0.429 nan 8.150 nan 0.000 0.404 243 R N -0.111 120.128 120.500 -0.434 0.000 2.582 243 R HA 0.201 4.540 4.340 -0.001 0.000 0.285 243 R C 0.034 176.213 176.300 -0.202 0.000 0.940 243 R CA 0.990 56.831 56.100 -0.431 0.000 1.072 243 R CB 0.430 30.309 30.300 -0.702 0.000 1.527 243 R HN 0.898 nan 8.270 nan 0.000 0.538 244 S N 0.007 115.604 115.700 -0.172 0.000 2.548 244 S HA 0.776 5.246 4.470 -0.001 0.000 0.286 244 S C -0.445 174.062 174.600 -0.154 0.000 1.098 244 S CA -0.731 57.387 58.200 -0.136 0.000 0.930 244 S CB 2.483 65.606 63.200 -0.130 0.000 1.070 244 S HN 0.145 nan 8.310 nan 0.000 0.480 245 I N 0.737 121.204 120.570 -0.172 0.000 2.841 245 I HA 0.760 4.930 4.170 -0.001 0.000 0.298 245 I C -1.893 174.072 176.117 -0.254 0.000 1.304 245 I CA -0.195 60.974 61.300 -0.217 0.000 1.019 245 I CB 2.197 40.105 38.000 -0.154 0.000 1.282 245 I HN 0.899 nan 8.210 nan 0.000 0.432 246 E N 3.152 123.141 120.200 -0.351 0.000 2.412 246 E HA 0.616 4.966 4.350 -0.001 0.000 0.279 246 E C -1.509 174.873 176.600 -0.363 0.000 0.984 246 E CA -0.418 55.798 56.400 -0.307 0.000 0.788 246 E CB 2.042 31.594 29.700 -0.245 0.000 1.277 246 E HN 0.611 nan 8.360 nan 0.000 0.455 247 T N -0.867 113.577 114.554 -0.184 0.000 2.932 247 T HA 0.653 5.003 4.350 -0.001 0.000 0.289 247 T C -0.278 174.492 174.700 0.117 0.000 1.039 247 T CA -0.643 61.380 62.100 -0.127 0.000 1.024 247 T CB 1.132 69.896 68.868 -0.172 0.000 1.090 247 T HN 0.508 nan 8.240 nan 0.000 0.496 248 S N 1.011 116.750 115.700 0.065 0.000 2.498 248 S HA 0.271 4.740 4.470 -0.001 0.000 0.281 248 S C 0.266 174.824 174.600 -0.070 0.000 1.265 248 S CA -0.729 57.392 58.200 -0.131 0.000 1.071 248 S CB 0.325 63.297 63.200 -0.379 0.000 0.894 248 S HN 0.820 nan 8.310 nan 0.000 0.491 249 K N 0.987 121.309 120.400 -0.131 0.000 2.413 249 K HA 0.220 4.540 4.320 -0.001 0.000 0.204 249 K C -0.077 176.376 176.600 -0.244 0.000 1.041 249 K CA -0.344 55.802 56.287 -0.235 0.000 1.082 249 K CB 0.367 32.584 32.500 -0.471 0.000 0.871 249 K HN 0.608 nan 8.250 nan 0.000 0.535 250 M N 2.467 122.025 119.600 -0.070 0.000 2.200 250 M HA 0.047 4.527 4.480 -0.001 0.000 0.355 250 M C 0.014 176.401 176.300 0.145 0.000 1.283 250 M CA -0.093 55.213 55.300 0.010 0.000 1.124 250 M CB 0.569 33.174 32.600 0.009 0.000 1.625 250 M HN 0.035 nan 8.290 nan 0.000 0.463 251 E N 3.408 123.661 120.200 0.089 0.000 2.529 251 E HA 0.231 4.581 4.350 -0.001 0.000 0.259 251 E C 0.846 177.515 176.600 0.115 0.000 0.966 251 E CA 1.247 57.695 56.400 0.079 0.000 0.937 251 E CB 0.021 29.743 29.700 0.037 0.000 0.923 251 E HN 0.991 nan 8.360 nan 0.000 0.468 252 G N 3.908 112.721 108.800 0.023 0.000 2.213 252 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.236 252 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.236 252 G C 0.043 174.747 174.900 -0.327 0.000 0.991 252 G CA 0.212 45.224 45.100 -0.146 0.000 0.629 252 G HN 0.650 nan 8.290 nan 0.000 0.517 253 W N 1.892 123.187 121.300 -0.008 0.000 2.693 253 W HA 0.645 5.304 4.660 -0.001 0.000 0.415 253 W C 0.298 176.774 176.519 -0.071 0.000 0.932 253 W CA -0.635 56.703 57.345 -0.012 0.000 2.200 253 W CB 0.507 30.040 29.460 0.121 0.000 1.188 253 W HN 0.124 nan 8.180 nan 0.000 0.665 254 E N 1.139 121.375 120.200 0.061 0.000 2.415 254 E HA -0.022 4.327 4.350 -0.001 0.000 0.263 254 E C 0.703 177.304 176.600 0.003 0.000 0.995 254 E CA 0.938 57.354 56.400 0.026 0.000 0.915 254 E CB 0.128 29.833 29.700 0.008 0.000 0.951 254 E HN 0.056 nan 8.360 nan 0.000 0.449 255 D N 1.884 122.296 120.400 0.019 0.000 3.046 255 D HA -0.207 4.433 4.640 -0.001 0.000 0.210 255 D C 0.834 177.097 176.300 -0.061 0.000 1.124 255 D CA 0.809 54.828 54.000 0.032 0.000 0.986 255 D CB -0.188 40.654 40.800 0.070 0.000 1.118 255 D HN 0.381 nan 8.370 nan 0.000 0.416 256 K N -0.681 119.648 120.400 -0.118 0.000 2.031 256 K HA -0.019 4.301 4.320 -0.001 0.000 0.205 256 K C 0.851 177.112 176.600 -0.566 0.000 1.049 256 K CA 1.311 57.400 56.287 -0.330 0.000 0.939 256 K CB 0.090 32.471 32.500 -0.199 0.000 0.717 256 K HN 0.317 nan 8.250 nan 0.000 0.438 257 Y N -1.424 118.804 120.300 -0.120 0.000 2.581 257 Y HA 0.539 5.089 4.550 -0.001 0.000 0.345 257 Y C -0.468 175.333 175.900 -0.165 0.000 1.036 257 Y CA -1.488 56.529 58.100 -0.139 0.000 1.042 257 Y CB 1.910 40.257 38.460 -0.187 0.000 1.289 257 Y HN -0.062 nan 8.280 nan 0.000 0.471 258 A N 1.884 124.665 122.820 -0.065 0.000 2.413 258 A HA 0.873 5.193 4.320 -0.001 0.000 0.307 258 A C -1.724 175.603 177.584 -0.428 0.000 1.087 258 A CA -0.808 50.990 52.037 -0.398 0.000 0.750 258 A CB 1.530 20.095 19.000 -0.725 0.000 1.296 258 A HN 0.764 nan 8.150 nan 0.000 0.423 259 I N 0.505 120.670 120.570 -0.675 0.000 2.619 259 I HA 0.728 4.897 4.170 -0.001 0.000 0.292 259 I C -0.363 175.480 176.117 -0.456 0.000 1.100 259 I CA -0.625 60.267 61.300 -0.680 0.000 1.043 259 I CB 1.873 39.099 38.000 -1.289 0.000 1.239 259 I HN 0.872 nan 8.210 nan 0.000 0.420 260 A N 4.762 127.416 122.820 -0.276 0.000 2.374 260 A HA 0.887 5.206 4.320 -0.001 0.000 0.317 260 A C -0.518 176.993 177.584 -0.122 0.000 1.094 260 A CA -0.458 51.463 52.037 -0.192 0.000 0.765 260 A CB 1.569 20.488 19.000 -0.135 0.000 1.268 260 A HN 0.845 nan 8.150 nan 0.000 0.438 261 G N -0.087 108.645 108.800 -0.113 0.000 2.461 261 G HA2 0.717 4.676 3.960 -0.001 0.000 0.323 261 G HA3 0.717 4.676 3.960 -0.001 0.000 0.323 261 G C -0.442 174.429 174.900 -0.048 0.000 1.229 261 G CA 0.146 45.217 45.100 -0.049 0.000 0.941 261 G HN 1.465 nan 8.290 nan 0.000 0.477 262 A N 1.354 124.174 122.820 0.000 0.000 2.355 262 A HA 0.671 4.990 4.320 -0.001 0.000 0.324 262 A C 0.062 177.754 177.584 0.179 0.000 1.117 262 A CA -0.659 51.384 52.037 0.010 0.000 0.785 262 A CB 1.139 20.111 19.000 -0.047 0.000 1.254 262 A HN 0.635 nan 8.150 nan 0.000 0.453 263 Y N 0.153 120.468 120.300 0.025 0.000 2.243 263 Y HA 0.064 4.614 4.550 -0.001 0.000 0.293 263 Y C 0.723 176.736 175.900 0.189 0.000 1.124 263 Y CA 0.527 58.685 58.100 0.097 0.000 1.159 263 Y CB 0.173 38.703 38.460 0.116 0.000 1.008 263 Y HN 0.676 nan 8.280 nan 0.000 0.527 264 W N 1.561 122.954 121.300 0.154 0.000 3.042 264 W HA 0.305 4.965 4.660 -0.001 0.000 0.337 264 W C -3.085 173.446 176.519 0.021 0.000 1.086 264 W CA -2.291 55.099 57.345 0.076 0.000 1.236 264 W CB 2.113 31.605 29.460 0.054 0.000 1.381 264 W HN -0.161 nan 8.180 nan 0.000 0.472 265 P HA 0.159 nan 4.420 nan 0.000 0.273 265 P C -2.549 174.404 177.300 -0.578 0.000 1.250 265 P CA -0.991 61.305 63.100 -1.340 0.000 0.793 265 P CB 0.108 31.274 31.700 -0.889 0.000 1.011 266 P HA 0.116 nan 4.420 nan 0.000 0.273 266 P C -0.787 176.410 177.300 -0.172 0.000 1.428 266 P CA 0.395 63.376 63.100 -0.198 0.000 0.995 266 P CB -0.327 31.294 31.700 -0.132 0.000 1.286 267 Q N 2.714 122.446 119.800 -0.115 0.000 2.702 267 Q HA 0.482 4.821 4.340 -0.001 0.000 0.289 267 Q C -1.668 174.311 176.000 -0.036 0.000 0.923 267 Q CA -1.093 54.630 55.803 -0.134 0.000 0.787 267 Q CB 1.042 29.663 28.738 -0.195 0.000 1.476 267 Q HN 0.306 nan 8.270 nan 0.000 0.402 268 Y N -1.558 118.678 120.300 -0.107 0.000 2.536 268 Y HA 0.860 5.409 4.550 -0.001 0.000 0.347 268 Y C -1.418 174.401 175.900 -0.134 0.000 1.000 268 Y CA -1.217 56.805 58.100 -0.130 0.000 1.051 268 Y CB 1.941 40.314 38.460 -0.144 0.000 1.259 268 Y HN 0.446 nan 8.280 nan 0.000 0.468 269 V N 4.353 124.284 119.914 0.029 0.000 2.577 269 V HA 0.405 4.524 4.120 -0.001 0.000 0.303 269 V C -0.337 175.717 176.094 -0.066 0.000 1.042 269 V CA -0.951 61.313 62.300 -0.061 0.000 0.872 269 V CB 1.551 33.322 31.823 -0.087 0.000 0.998 269 V HN 0.790 nan 8.190 nan 0.000 0.423 270 I N 5.472 126.002 120.570 -0.066 0.000 2.342 270 I HA 0.469 4.639 4.170 -0.001 0.000 0.291 270 I C -0.036 176.019 176.117 -0.104 0.000 1.010 270 I CA 0.102 61.334 61.300 -0.113 0.000 1.308 270 I CB 1.225 39.154 38.000 -0.118 0.000 1.400 270 I HN 0.505 nan 8.210 nan 0.000 0.488 271 M N 4.727 124.284 119.600 -0.072 0.000 2.664 271 M HA 0.313 4.793 4.480 -0.001 0.000 0.314 271 M C -0.235 176.126 176.300 0.102 0.000 1.200 271 M CA -0.782 54.490 55.300 -0.047 0.000 0.916 271 M CB 1.715 34.255 32.600 -0.101 0.000 1.717 271 M HN 0.448 nan 8.290 nan 0.000 0.470 272 D N 1.039 121.467 120.400 0.046 0.000 2.458 272 D HA 0.011 4.651 4.640 -0.001 0.000 0.243 272 D C 0.825 177.124 176.300 -0.001 0.000 1.146 272 D CA 0.402 54.426 54.000 0.039 0.000 0.877 272 D CB 1.381 42.175 40.800 -0.011 0.000 1.176 272 D HN 0.855 nan 8.370 nan 0.000 0.461 273 G N 3.294 112.056 108.800 -0.064 0.000 2.679 273 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.212 273 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.212 273 G C 1.161 176.029 174.900 -0.054 0.000 1.137 273 G CA 0.290 45.374 45.100 -0.027 0.000 0.787 273 G HN 0.613 nan 8.290 nan 0.000 0.534 274 E N -0.868 119.264 120.200 -0.115 0.000 2.372 274 E HA 0.005 4.355 4.350 -0.001 0.000 0.201 274 E C 2.294 178.806 176.600 -0.148 0.000 0.938 274 E CA 1.027 57.291 56.400 -0.227 0.000 0.944 274 E CB 0.510 30.131 29.700 -0.131 0.000 0.937 274 E HN 0.485 nan 8.360 nan 0.000 0.495 275 T N -2.235 112.323 114.554 0.006 0.000 2.959 275 T HA 0.232 4.582 4.350 -0.001 0.000 0.254 275 T C 1.103 175.980 174.700 0.295 0.000 1.003 275 T CA -0.263 61.934 62.100 0.161 0.000 0.950 275 T CB 0.407 69.458 68.868 0.304 0.000 1.090 275 T HN 0.112 nan 8.240 nan 0.000 0.503 276 L N 0.194 121.491 121.223 0.124 0.000 4.800 276 L HA -0.143 4.196 4.340 -0.001 0.000 0.412 276 L C 0.308 176.952 176.870 -0.377 0.000 1.063 276 L CA 0.390 55.244 54.840 0.024 0.000 1.114 276 L CB -1.807 40.340 42.059 0.147 0.000 2.089 276 L HN 0.537 nan 8.230 nan 0.000 0.686 277 E N 3.486 123.398 120.200 -0.480 0.000 2.480 277 E HA 0.063 4.413 4.350 -0.001 0.000 0.258 277 E C -1.949 174.283 176.600 -0.613 0.000 0.984 277 E CA -1.343 54.393 56.400 -1.107 0.000 0.930 277 E CB 0.717 30.015 29.700 -0.669 0.000 0.936 277 E HN 0.051 nan 8.360 nan 0.000 0.466 278 P HA 0.038 nan 4.420 nan 0.000 0.276 278 P C -0.547 176.617 177.300 -0.227 0.000 1.253 278 P CA -0.108 62.797 63.100 -0.324 0.000 0.766 278 P CB 1.180 32.716 31.700 -0.273 0.000 0.845 279 K N 1.937 122.249 120.400 -0.146 0.000 2.306 279 K HA 0.162 4.481 4.320 -0.001 0.000 0.200 279 K C 0.450 176.993 176.600 -0.095 0.000 1.083 279 K CA 0.785 57.017 56.287 -0.093 0.000 0.959 279 K CB 0.314 32.798 32.500 -0.026 0.000 0.994 279 K HN 0.281 nan 8.250 nan 0.000 0.492 280 K N 0.930 121.263 120.400 -0.111 0.000 2.581 280 K HA 0.415 4.734 4.320 -0.001 0.000 0.249 280 K C -1.552 174.957 176.600 -0.152 0.000 0.966 280 K CA -0.095 56.122 56.287 -0.117 0.000 0.811 280 K CB 1.011 33.449 32.500 -0.104 0.000 1.223 280 K HN -0.106 nan 8.250 nan 0.000 0.438 281 I N 4.056 124.520 120.570 -0.177 0.000 2.354 281 I HA 0.374 4.543 4.170 -0.001 0.000 0.292 281 I C -0.325 175.593 176.117 -0.330 0.000 0.989 281 I CA -0.844 60.315 61.300 -0.236 0.000 1.188 281 I CB 1.684 39.585 38.000 -0.166 0.000 1.342 281 I HN 0.320 nan 8.210 nan 0.000 0.457 282 Q N 4.352 123.802 119.800 -0.583 0.000 2.330 282 Q HA 0.335 4.674 4.340 -0.001 0.000 0.269 282 Q C -0.494 175.200 176.000 -0.509 0.000 1.022 282 Q CA -0.465 54.964 55.803 -0.623 0.000 0.796 282 Q CB 2.468 30.615 28.738 -0.986 0.000 1.271 282 Q HN 0.692 nan 8.270 nan 0.000 0.450 283 S N 0.949 116.485 115.700 -0.274 0.000 2.576 283 S HA 0.171 4.640 4.470 -0.001 0.000 0.276 283 S C 0.926 175.453 174.600 -0.120 0.000 1.339 283 S CA 0.149 58.241 58.200 -0.180 0.000 1.039 283 S CB 0.444 63.580 63.200 -0.107 0.000 0.902 283 S HN 0.661 nan 8.310 nan 0.000 0.516 284 T N 1.848 116.357 114.554 -0.075 0.000 3.054 284 T HA 0.326 4.676 4.350 -0.001 0.000 0.255 284 T C 0.493 175.179 174.700 -0.022 0.000 1.035 284 T CA -0.384 61.707 62.100 -0.015 0.000 0.941 284 T CB -0.115 68.766 68.868 0.021 0.000 1.026 284 T HN 0.565 nan 8.240 nan 0.000 0.533 285 R N 1.103 121.592 120.500 -0.019 0.000 2.570 285 R HA 0.541 4.880 4.340 -0.001 0.000 0.277 285 R C 0.873 177.205 176.300 0.052 0.000 1.039 285 R CA 1.014 57.114 56.100 -0.000 0.000 1.065 285 R CB 0.359 30.717 30.300 0.097 0.000 0.964 285 R HN 0.569 nan 8.270 nan 0.000 0.428 286 G N 1.337 110.116 108.800 -0.034 0.000 2.360 286 G HA2 0.166 4.126 3.960 -0.001 0.000 0.276 286 G HA3 0.166 4.126 3.960 -0.001 0.000 0.276 286 G C -1.529 173.388 174.900 0.028 0.000 1.256 286 G CA -0.947 44.209 45.100 0.093 0.000 0.890 286 G HN 0.247 nan 8.290 nan 0.000 0.486 287 M N 1.973 121.623 119.600 0.084 0.000 2.318 287 M HA 0.395 4.874 4.480 -0.001 0.000 0.347 287 M C 0.927 177.248 176.300 0.035 0.000 1.175 287 M CA -0.619 54.724 55.300 0.072 0.000 1.075 287 M CB 0.610 33.260 32.600 0.083 0.000 1.614 287 M HN 0.830 nan 8.290 nan 0.000 0.456 288 T N -0.043 114.524 114.554 0.021 0.000 2.926 288 T HA 0.079 4.429 4.350 -0.001 0.000 0.307 288 T C 1.031 175.725 174.700 -0.009 0.000 1.059 288 T CA -0.248 61.853 62.100 0.001 0.000 1.122 288 T CB 0.234 69.083 68.868 -0.032 0.000 0.972 288 T HN 0.677 nan 8.240 nan 0.000 0.545 289 Y N 1.996 122.267 120.300 -0.048 0.000 2.242 289 Y HA -0.047 4.502 4.550 -0.001 0.000 0.291 289 Y C 1.674 177.560 175.900 -0.023 0.000 1.137 289 Y CA 1.536 59.614 58.100 -0.035 0.000 1.181 289 Y CB -0.656 37.776 38.460 -0.047 0.000 0.989 289 Y HN 0.697 nan 8.280 nan 0.000 0.527 290 D N -0.007 119.727 120.400 -1.111 0.000 2.320 290 D HA -0.096 4.543 4.640 -0.001 0.000 0.228 290 D C 1.424 177.505 176.300 -0.365 0.000 0.978 290 D CA 1.304 54.770 54.000 -0.890 0.000 0.905 290 D CB -0.873 39.267 40.800 -1.101 0.000 1.051 290 D HN 0.578 nan 8.370 nan 0.000 0.471 291 E N 0.181 120.216 120.200 -0.275 0.000 2.481 291 E HA 0.021 4.371 4.350 -0.001 0.000 0.195 291 E C -0.184 176.365 176.600 -0.084 0.000 1.047 291 E CA -0.066 56.254 56.400 -0.134 0.000 0.867 291 E CB -0.075 29.570 29.700 -0.091 0.000 0.858 291 E HN 0.266 nan 8.360 nan 0.000 0.513 292 Q N 1.230 120.977 119.800 -0.089 0.000 2.448 292 Q HA -0.225 4.115 4.340 -0.001 0.000 0.356 292 Q C -0.455 175.550 176.000 0.008 0.000 1.430 292 Q CA 0.697 56.483 55.803 -0.029 0.000 1.011 292 Q CB -1.465 27.261 28.738 -0.019 0.000 1.203 292 Q HN 0.361 nan 8.270 nan 0.000 0.351 293 E N 0.868 121.081 120.200 0.021 0.000 2.222 293 E HA 0.315 4.665 4.350 -0.001 0.000 0.267 293 E C -1.150 175.509 176.600 0.099 0.000 0.884 293 E CA -0.947 55.486 56.400 0.056 0.000 0.764 293 E CB 1.145 30.863 29.700 0.030 0.000 1.169 293 E HN 0.266 nan 8.360 nan 0.000 0.413 294 Y N 4.099 124.410 120.300 0.018 0.000 2.620 294 Y HA 0.025 4.575 4.550 -0.001 0.000 0.330 294 Y C -0.792 175.137 175.900 0.048 0.000 1.186 294 Y CA 0.508 58.631 58.100 0.037 0.000 1.467 294 Y CB 0.345 38.817 38.460 0.020 0.000 1.262 294 Y HN 0.457 nan 8.280 nan 0.000 0.550 295 H N 8.834 127.476 119.070 -0.714 0.000 2.646 295 H HA 0.289 4.844 4.556 -0.001 0.000 0.328 295 H C -2.227 172.635 175.328 -0.777 0.000 0.998 295 H CA -2.507 53.225 56.048 -0.526 0.000 1.225 295 H CB 2.288 31.892 29.762 -0.264 0.000 1.457 295 H HN 0.498 nan 8.280 nan 0.000 0.505 296 P HA 0.062 nan 4.420 nan 0.000 0.249 296 P C 0.052 177.468 177.300 0.193 0.000 1.229 296 P CA 0.507 63.559 63.100 -0.080 0.000 0.788 296 P CB 0.770 32.545 31.700 0.126 0.000 1.072 297 E N 0.638 121.062 120.200 0.374 0.000 3.832 297 E HA 0.256 4.606 4.350 -0.001 0.000 0.250 297 E C -2.741 173.934 176.600 0.124 0.000 1.215 297 E CA -1.739 54.862 56.400 0.335 0.000 1.179 297 E CB 1.009 30.970 29.700 0.435 0.000 1.270 297 E HN 0.036 nan 8.360 nan 0.000 0.405 298 P HA 0.240 nan 4.420 nan 0.000 0.274 298 P C -0.810 176.440 177.300 -0.083 0.000 1.504 298 P CA -0.362 62.618 63.100 -0.200 0.000 1.011 298 P CB 0.272 31.853 31.700 -0.198 0.000 1.366 299 R N 1.659 122.106 120.500 -0.088 0.000 2.590 299 R HA 0.253 4.593 4.340 -0.001 0.000 0.274 299 R C -0.036 176.284 176.300 0.034 0.000 1.061 299 R CA -0.551 55.528 56.100 -0.036 0.000 1.081 299 R CB 0.416 30.533 30.300 -0.305 0.000 0.984 299 R HN 0.208 nan 8.270 nan 0.000 0.448 300 V N 3.435 123.434 119.914 0.141 0.000 2.455 300 V HA 0.208 4.328 4.120 -0.001 0.000 0.273 300 V C 0.740 176.948 176.094 0.189 0.000 1.045 300 V CA 0.217 62.587 62.300 0.117 0.000 0.976 300 V CB 0.771 32.647 31.823 0.088 0.000 0.993 300 V HN 1.000 nan 8.190 nan 0.000 0.475 301 A N 5.042 127.923 122.820 0.102 0.000 3.711 301 A HA 0.885 5.204 4.320 -0.001 0.000 0.185 301 A C 0.982 178.545 177.584 -0.035 0.000 1.697 301 A CA 0.193 52.277 52.037 0.078 0.000 1.787 301 A CB -0.487 18.538 19.000 0.043 0.000 1.545 301 A HN 1.102 nan 8.150 nan 0.000 0.553 302 A N -0.461 122.311 122.820 -0.080 0.000 2.531 302 A HA 0.472 4.791 4.320 -0.001 0.000 0.236 302 A C -0.311 177.218 177.584 -0.090 0.000 1.062 302 A CA 0.486 52.486 52.037 -0.063 0.000 0.760 302 A CB -0.644 18.366 19.000 0.016 0.000 0.995 302 A HN 0.499 nan 8.150 nan 0.000 0.501 303 I N 2.509 122.996 120.570 -0.138 0.000 2.447 303 I HA 0.341 4.510 4.170 -0.001 0.000 0.287 303 I C -0.859 175.141 176.117 -0.195 0.000 1.023 303 I CA -0.382 60.790 61.300 -0.213 0.000 1.083 303 I CB 1.525 39.359 38.000 -0.276 0.000 1.245 303 I HN 0.453 nan 8.210 nan 0.000 0.434 304 L N 5.107 126.182 121.223 -0.247 0.000 2.271 304 L HA 0.875 5.214 4.340 -0.001 0.000 0.265 304 L C -0.082 176.739 176.870 -0.082 0.000 1.013 304 L CA -0.519 54.214 54.840 -0.178 0.000 0.820 304 L CB 1.759 43.662 42.059 -0.261 0.000 1.352 304 L HN 0.640 nan 8.230 nan 0.000 0.443 305 A N 0.091 122.891 122.820 -0.033 0.000 2.343 305 A HA 0.659 4.979 4.320 -0.001 0.000 0.308 305 A C -0.480 177.024 177.584 -0.134 0.000 1.092 305 A CA -0.458 51.568 52.037 -0.019 0.000 0.751 305 A CB 1.376 20.382 19.000 0.011 0.000 1.203 305 A HN 0.513 nan 8.150 nan 0.000 0.452 306 S N 0.581 116.188 115.700 -0.155 0.000 2.572 306 S HA 0.166 4.635 4.470 -0.001 0.000 0.279 306 S C 0.580 175.088 174.600 -0.152 0.000 1.341 306 S CA -0.129 58.014 58.200 -0.095 0.000 1.043 306 S CB 0.044 63.164 63.200 -0.133 0.000 0.887 306 S HN 0.710 nan 8.310 nan 0.000 0.516 307 H N 3.155 122.236 119.070 0.018 0.000 2.652 307 H HA 0.128 4.684 4.556 -0.001 0.000 0.274 307 H C 0.207 175.496 175.328 -0.066 0.000 1.021 307 H CA 0.351 56.393 56.048 -0.008 0.000 1.187 307 H CB 0.353 30.121 29.762 0.010 0.000 1.505 307 H HN 0.704 nan 8.280 nan 0.000 0.530 308 Y N 0.555 120.860 120.300 0.009 0.000 2.522 308 Y HA 0.220 4.770 4.550 -0.001 0.000 0.277 308 Y C 0.765 176.615 175.900 -0.083 0.000 1.104 308 Y CA 0.309 58.391 58.100 -0.031 0.000 1.260 308 Y CB 0.871 39.295 38.460 -0.060 0.000 1.151 308 Y HN -0.135 nan 8.280 nan 0.000 0.539 309 R N 0.085 120.577 120.500 -0.014 0.000 2.808 309 R HA 0.311 4.651 4.340 -0.001 0.000 0.272 309 R C -2.772 173.318 176.300 -0.350 0.000 0.995 309 R CA -2.122 53.884 56.100 -0.157 0.000 0.917 309 R CB 1.240 31.438 30.300 -0.169 0.000 1.217 309 R HN -0.291 nan 8.270 nan 0.000 0.471 310 P HA 0.078 nan 4.420 nan 0.000 0.235 310 P C -1.148 175.161 177.300 -1.652 0.000 1.765 310 P CA 0.383 62.770 63.100 -1.188 0.000 1.034 310 P CB 0.103 30.969 31.700 -1.390 0.000 1.984 311 E N 0.744 120.310 120.200 -1.056 0.000 2.367 311 E HA 0.503 4.853 4.350 -0.001 0.000 0.273 311 E C -0.878 175.434 176.600 -0.481 0.000 0.903 311 E CA -0.810 55.136 56.400 -0.756 0.000 0.764 311 E CB 1.354 30.798 29.700 -0.427 0.000 1.252 311 E HN 0.052 nan 8.360 nan 0.000 0.446 312 F N 1.182 121.041 119.950 -0.152 0.000 2.425 312 F HA 0.453 4.979 4.527 -0.001 0.000 0.331 312 F C 0.229 175.856 175.800 -0.289 0.000 1.085 312 F CA -0.708 57.181 58.000 -0.185 0.000 1.028 312 F CB 0.813 39.689 39.000 -0.206 0.000 1.177 312 F HN 0.225 nan 8.300 nan 0.000 0.487 313 I N 3.534 124.030 120.570 -0.123 0.000 2.359 313 I HA 0.342 4.512 4.170 -0.001 0.000 0.284 313 I C -1.085 174.826 176.117 -0.342 0.000 1.018 313 I CA -0.598 60.515 61.300 -0.313 0.000 1.173 313 I CB 1.095 38.763 38.000 -0.553 0.000 1.326 313 I HN 0.137 nan 8.210 nan 0.000 0.462 314 V N 5.686 125.426 119.914 -0.290 0.000 2.357 314 V HA 0.323 4.442 4.120 -0.001 0.000 0.284 314 V C -0.004 176.002 176.094 -0.145 0.000 1.018 314 V CA -0.799 61.337 62.300 -0.273 0.000 0.841 314 V CB 1.376 32.935 31.823 -0.439 0.000 0.991 314 V HN 0.580 nan 8.190 nan 0.000 0.437 315 N N 3.264 121.921 118.700 -0.073 0.000 2.458 315 N HA 0.359 5.098 4.740 -0.001 0.000 0.270 315 N C -0.565 174.938 175.510 -0.011 0.000 1.102 315 N CA -0.077 52.976 53.050 0.005 0.000 0.967 315 N CB 1.783 40.313 38.487 0.072 0.000 1.078 315 N HN 0.443 nan 8.380 nan 0.000 0.471 316 V N 3.780 123.682 119.914 -0.021 0.000 2.304 316 V HA 0.171 4.291 4.120 -0.001 0.000 0.278 316 V C 1.526 177.579 176.094 -0.069 0.000 1.018 316 V CA -0.710 61.571 62.300 -0.033 0.000 0.814 316 V CB 1.266 33.070 31.823 -0.031 0.000 1.021 316 V HN 0.674 nan 8.190 nan 0.000 0.440 317 K N 3.380 123.742 120.400 -0.062 0.000 1.977 317 K HA -0.211 4.109 4.320 -0.001 0.000 0.218 317 K C 1.637 178.100 176.600 -0.228 0.000 1.051 317 K CA 2.304 58.546 56.287 -0.076 0.000 0.953 317 K CB 0.189 32.685 32.500 -0.008 0.000 0.727 317 K HN 0.679 nan 8.250 nan 0.000 0.445 318 E N -0.393 119.612 120.200 -0.326 0.000 2.204 318 E HA -0.107 4.243 4.350 -0.001 0.000 0.194 318 E C 1.747 178.065 176.600 -0.470 0.000 0.989 318 E CA 1.749 57.823 56.400 -0.543 0.000 0.824 318 E CB -0.006 29.208 29.700 -0.810 0.000 0.756 318 E HN 0.618 nan 8.360 nan 0.000 0.477 319 T N -3.615 110.753 114.554 -0.310 0.000 3.065 319 T HA 0.228 4.578 4.350 -0.001 0.000 0.252 319 T C 1.521 176.209 174.700 -0.021 0.000 1.099 319 T CA 0.201 62.217 62.100 -0.140 0.000 1.063 319 T CB 0.243 69.054 68.868 -0.095 0.000 0.948 319 T HN 0.212 nan 8.240 nan 0.000 0.506 320 G N 1.581 110.323 108.800 -0.096 0.000 2.272 320 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.280 320 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.280 320 G C -0.296 174.523 174.900 -0.135 0.000 1.067 320 G CA 0.006 45.043 45.100 -0.105 0.000 0.902 320 G HN 0.654 nan 8.290 nan 0.000 0.500 321 K N -0.566 119.785 120.400 -0.081 0.000 2.270 321 K HA 0.665 4.984 4.320 -0.001 0.000 0.255 321 K C 0.089 176.656 176.600 -0.055 0.000 0.936 321 K CA -0.898 55.350 56.287 -0.065 0.000 0.809 321 K CB 1.851 34.339 32.500 -0.021 0.000 1.131 321 K HN 0.196 nan 8.250 nan 0.000 0.427 322 I N 4.644 125.182 120.570 -0.054 0.000 2.339 322 I HA 0.248 4.418 4.170 -0.001 0.000 0.290 322 I C -0.478 175.607 176.117 -0.053 0.000 0.994 322 I CA -0.715 60.569 61.300 -0.028 0.000 1.191 322 I CB 0.806 38.822 38.000 0.027 0.000 1.343 322 I HN 0.319 nan 8.210 nan 0.000 0.458 323 L N 7.207 128.382 121.223 -0.080 0.000 2.289 323 L HA 0.485 4.824 4.340 -0.001 0.000 0.285 323 L C -0.485 176.305 176.870 -0.133 0.000 1.049 323 L CA -0.616 54.169 54.840 -0.092 0.000 0.804 323 L CB 1.036 43.041 42.059 -0.089 0.000 1.195 323 L HN 0.438 nan 8.230 nan 0.000 0.428 324 L N 4.840 125.994 121.223 -0.115 0.000 2.277 324 L HA 0.407 4.747 4.340 -0.001 0.000 0.284 324 L C -0.531 176.255 176.870 -0.140 0.000 1.028 324 L CA -0.606 54.148 54.840 -0.143 0.000 0.835 324 L CB 1.484 43.460 42.059 -0.137 0.000 1.215 324 L HN 0.324 nan 8.230 nan 0.000 0.425 325 V N 1.908 121.732 119.914 -0.150 0.000 2.328 325 V HA 0.174 4.293 4.120 -0.001 0.000 0.278 325 V C 0.040 176.008 176.094 -0.209 0.000 1.021 325 V CA -0.605 61.627 62.300 -0.113 0.000 0.838 325 V CB 1.629 33.425 31.823 -0.043 0.000 0.999 325 V HN 0.593 nan 8.190 nan 0.000 0.447 326 D N 4.436 124.686 120.400 -0.251 0.000 2.325 326 D HA 0.089 4.729 4.640 -0.001 0.000 0.251 326 D C 0.382 176.449 176.300 -0.389 0.000 1.196 326 D CA -0.331 53.414 54.000 -0.424 0.000 0.866 326 D CB 1.164 41.769 40.800 -0.325 0.000 1.101 326 D HN 0.652 nan 8.370 nan 0.000 0.476 327 Y N 1.238 121.257 120.300 -0.469 0.000 2.470 327 Y HA 0.129 4.679 4.550 -0.001 0.000 0.284 327 Y C 1.895 177.511 175.900 -0.474 0.000 1.188 327 Y CA 0.088 57.884 58.100 -0.506 0.000 1.269 327 Y CB -0.780 37.290 38.460 -0.651 0.000 1.094 327 Y HN 0.235 nan 8.280 nan 0.000 0.518 328 T N -3.424 110.885 114.554 -0.409 0.000 2.995 328 T HA -0.054 4.296 4.350 -0.001 0.000 0.269 328 T C 0.194 174.928 174.700 0.057 0.000 1.091 328 T CA 1.025 63.018 62.100 -0.178 0.000 1.128 328 T CB -0.033 68.763 68.868 -0.119 0.000 0.891 328 T HN 0.320 nan 8.240 nan 0.000 0.492 329 D N -0.110 120.278 120.400 -0.021 0.000 2.478 329 D HA 0.275 4.914 4.640 -0.001 0.000 0.240 329 D C 0.464 176.753 176.300 -0.019 0.000 1.364 329 D CA -0.496 53.514 54.000 0.016 0.000 0.987 329 D CB 1.069 41.873 40.800 0.007 0.000 1.328 329 D HN 0.166 nan 8.370 nan 0.000 0.584 330 L N 1.910 123.128 121.223 -0.008 0.000 2.509 330 L HA 0.109 4.449 4.340 -0.001 0.000 0.222 330 L C 1.153 178.007 176.870 -0.027 0.000 1.123 330 L CA 0.351 55.168 54.840 -0.038 0.000 0.856 330 L CB 0.221 42.245 42.059 -0.058 0.000 0.985 330 L HN 0.263 nan 8.230 nan 0.000 0.456 331 D N -0.237 120.157 120.400 -0.009 0.000 2.259 331 D HA 0.005 4.644 4.640 -0.001 0.000 0.216 331 D C 0.648 176.939 176.300 -0.015 0.000 0.961 331 D CA 0.764 54.757 54.000 -0.011 0.000 0.878 331 D CB 0.176 40.977 40.800 0.001 0.000 1.009 331 D HN 0.230 nan 8.370 nan 0.000 0.490 332 N N 1.518 120.210 118.700 -0.013 0.000 3.091 332 N HA 0.144 4.884 4.740 -0.001 0.000 0.255 332 N C -0.591 174.902 175.510 -0.028 0.000 1.204 332 N CA -0.254 52.785 53.050 -0.018 0.000 0.990 332 N CB 1.514 39.994 38.487 -0.012 0.000 1.260 332 N HN 0.061 nan 8.380 nan 0.000 0.502 333 L N 1.862 123.066 121.223 -0.032 0.000 2.385 333 L HA 0.148 4.487 4.340 -0.001 0.000 0.281 333 L C 0.115 176.959 176.870 -0.042 0.000 1.106 333 L CA 0.054 54.870 54.840 -0.040 0.000 0.856 333 L CB 0.116 42.154 42.059 -0.033 0.000 1.186 333 L HN 0.087 nan 8.230 nan 0.000 0.453 334 K N 3.943 124.307 120.400 -0.061 0.000 2.248 334 K HA 0.461 4.780 4.320 -0.001 0.000 0.281 334 K C -0.168 176.389 176.600 -0.071 0.000 1.054 334 K CA -0.338 55.909 56.287 -0.066 0.000 0.903 334 K CB 0.848 33.298 32.500 -0.084 0.000 1.077 334 K HN 0.736 nan 8.250 nan 0.000 0.474 335 T N -1.139 113.384 114.554 -0.051 0.000 2.906 335 T HA 0.412 4.762 4.350 -0.001 0.000 0.295 335 T C -0.321 174.349 174.700 -0.050 0.000 1.075 335 T CA -0.822 61.250 62.100 -0.048 0.000 1.005 335 T CB 1.781 70.644 68.868 -0.008 0.000 1.136 335 T HN 0.262 nan 8.240 nan 0.000 0.498 336 T N 2.286 116.805 114.554 -0.059 0.000 2.809 336 T HA 0.391 4.740 4.350 -0.001 0.000 0.296 336 T C -0.540 174.133 174.700 -0.044 0.000 1.015 336 T CA -0.619 61.450 62.100 -0.053 0.000 0.954 336 T CB 0.870 69.698 68.868 -0.067 0.000 0.950 336 T HN 0.681 nan 8.240 nan 0.000 0.450 337 E N 3.218 123.401 120.200 -0.028 0.000 2.001 337 E HA 0.278 4.628 4.350 -0.001 0.000 0.279 337 E C -0.322 176.263 176.600 -0.025 0.000 1.045 337 E CA -0.256 56.132 56.400 -0.020 0.000 0.833 337 E CB 0.708 30.407 29.700 -0.001 0.000 1.077 337 E HN 0.574 nan 8.360 nan 0.000 0.397 338 I N 2.620 123.165 120.570 -0.041 0.000 2.312 338 I HA 0.067 4.237 4.170 -0.001 0.000 0.291 338 I C 0.285 176.358 176.117 -0.073 0.000 1.031 338 I CA -0.321 60.946 61.300 -0.055 0.000 1.293 338 I CB 1.226 39.185 38.000 -0.068 0.000 1.403 338 I HN 0.308 nan 8.210 nan 0.000 0.484 339 S N 5.196 120.862 115.700 -0.056 0.000 2.498 339 S HA 0.384 4.854 4.470 -0.001 0.000 0.281 339 S C 0.579 175.007 174.600 -0.286 0.000 1.265 339 S CA -0.186 57.963 58.200 -0.084 0.000 1.071 339 S CB 1.063 64.314 63.200 0.083 0.000 0.894 339 S HN 0.796 nan 8.310 nan 0.000 0.491 340 A N 3.594 126.077 122.820 -0.561 0.000 2.611 340 A HA 0.808 5.128 4.320 -0.001 0.000 0.208 340 A C -0.196 176.834 177.584 -0.923 0.000 1.958 340 A CA -0.207 51.500 52.037 -0.551 0.000 1.718 340 A CB 0.147 18.951 19.000 -0.327 0.000 1.357 340 A HN 0.595 nan 8.150 nan 0.000 0.428 341 E N -0.175 119.626 120.200 -0.665 0.000 2.343 341 E HA 0.511 4.861 4.350 -0.001 0.000 0.278 341 E C -1.026 175.466 176.600 -0.181 0.000 0.910 341 E CA -0.500 55.635 56.400 -0.441 0.000 0.757 341 E CB 1.258 30.862 29.700 -0.159 0.000 1.218 341 E HN 0.439 nan 8.360 nan 0.000 0.435 342 R N 2.141 122.654 120.500 0.022 0.000 2.784 342 R HA 0.271 4.610 4.340 -0.001 0.000 0.266 342 R C -0.289 175.936 176.300 -0.125 0.000 1.044 342 R CA 0.421 56.402 56.100 -0.199 0.000 1.151 342 R CB 0.056 30.084 30.300 -0.453 0.000 1.037 342 R HN 0.687 nan 8.270 nan 0.000 0.478 343 F N -1.545 118.419 119.950 0.023 0.000 2.893 343 F HA -0.210 4.316 4.527 -0.001 0.000 0.287 343 F C 0.012 175.835 175.800 0.039 0.000 0.766 343 F CA -0.161 57.853 58.000 0.023 0.000 1.362 343 F CB -2.115 36.899 39.000 0.024 0.000 1.518 343 F HN 0.390 nan 8.300 nan 0.000 0.417 344 L N 0.326 121.608 121.223 0.098 0.000 2.525 344 L HA 0.131 4.470 4.340 -0.001 0.000 0.278 344 L C 1.353 178.334 176.870 0.186 0.000 1.218 344 L CA 0.759 55.651 54.840 0.088 0.000 0.878 344 L CB 0.522 42.593 42.059 0.019 0.000 1.127 344 L HN 0.365 nan 8.230 nan 0.000 0.492 345 H N 0.882 119.990 119.070 0.062 0.000 5.120 345 H HA 0.205 4.760 4.556 -0.001 0.000 0.090 345 H C -0.649 174.728 175.328 0.082 0.000 1.292 345 H CA 0.156 56.255 56.048 0.084 0.000 0.528 345 H CB 0.494 30.308 29.762 0.087 0.000 1.593 345 H HN 0.716 nan 8.280 nan 0.000 0.138 346 D N 0.022 120.417 120.400 -0.009 0.000 2.440 346 D HA 0.554 5.194 4.640 -0.001 0.000 0.258 346 D C 0.371 176.708 176.300 0.062 0.000 1.092 346 D CA -0.287 53.692 54.000 -0.034 0.000 1.016 346 D CB 1.864 42.614 40.800 -0.082 0.000 1.141 346 D HN 0.713 nan 8.370 nan 0.000 0.552 347 G N -2.545 106.347 108.800 0.154 0.000 2.349 347 G HA2 0.603 4.563 3.960 -0.001 0.000 0.294 347 G HA3 0.603 4.563 3.960 -0.001 0.000 0.294 347 G C -1.213 173.905 174.900 0.363 0.000 1.380 347 G CA -0.377 44.830 45.100 0.178 0.000 0.811 347 G HN 0.825 nan 8.290 nan 0.000 0.519 348 G N -1.403 107.629 108.800 0.386 0.000 2.684 348 G HA2 0.655 4.614 3.960 -0.001 0.000 0.290 348 G HA3 0.655 4.614 3.960 -0.001 0.000 0.290 348 G C -1.009 174.212 174.900 0.536 0.000 1.425 348 G CA -0.893 44.541 45.100 0.556 0.000 0.822 348 G HN 0.696 nan 8.290 nan 0.000 0.482 349 L N 1.540 123.157 121.223 0.655 0.000 2.395 349 L HA 0.285 4.625 4.340 -0.001 0.000 0.269 349 L C 0.839 177.954 176.870 0.408 0.000 1.133 349 L CA -1.022 54.081 54.840 0.439 0.000 0.812 349 L CB 0.900 43.178 42.059 0.365 0.000 1.125 349 L HN 0.764 nan 8.230 nan 0.000 0.452 350 D N 1.715 122.289 120.400 0.290 0.000 2.346 350 D HA -0.046 4.594 4.640 -0.001 0.000 0.249 350 D C 1.179 177.597 176.300 0.197 0.000 1.308 350 D CA 0.102 54.273 54.000 0.285 0.000 0.987 350 D CB 0.700 41.682 40.800 0.305 0.000 1.114 350 D HN 0.622 nan 8.370 nan 0.000 0.529 351 G N -0.829 108.042 108.800 0.118 0.000 2.450 351 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.220 351 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.220 351 G C 1.506 176.301 174.900 -0.175 0.000 1.130 351 G CA 1.337 46.411 45.100 -0.043 0.000 0.760 351 G HN 0.598 nan 8.290 nan 0.000 0.557 352 S N -1.299 114.387 115.700 -0.024 0.000 2.558 352 S HA 0.068 4.537 4.470 -0.001 0.000 0.217 352 S C 0.992 175.634 174.600 0.069 0.000 0.975 352 S CA 0.766 58.965 58.200 -0.002 0.000 0.912 352 S CB -0.459 62.822 63.200 0.135 0.000 0.776 352 S HN 0.671 nan 8.310 nan 0.000 0.526 353 H N -0.338 118.767 119.070 0.060 0.000 2.992 353 H HA -0.161 4.395 4.556 -0.001 0.000 0.266 353 H C 1.335 176.755 175.328 0.155 0.000 1.200 353 H CA 0.844 56.908 56.048 0.027 0.000 1.135 353 H CB -1.039 28.587 29.762 -0.226 0.000 1.282 353 H HN 0.519 nan 8.280 nan 0.000 0.351 354 R N 0.112 120.678 120.500 0.110 0.000 2.146 354 R HA 0.101 4.441 4.340 -0.001 0.000 0.206 354 R C -0.243 175.730 176.300 -0.545 0.000 1.049 354 R CA 0.506 56.312 56.100 -0.490 0.000 1.029 354 R CB 0.550 30.294 30.300 -0.927 0.000 0.949 354 R HN 0.159 nan 8.270 nan 0.000 0.471 355 Y N -0.110 120.198 120.300 0.013 0.000 2.341 355 Y HA 0.290 4.840 4.550 -0.001 0.000 0.337 355 Y C -0.759 175.151 175.900 0.016 0.000 1.014 355 Y CA -1.319 56.759 58.100 -0.037 0.000 1.111 355 Y CB 1.217 39.656 38.460 -0.034 0.000 1.194 355 Y HN -0.070 nan 8.280 nan 0.000 0.462 356 F N 5.240 125.148 119.950 -0.071 0.000 2.391 356 F HA 0.593 5.120 4.527 -0.001 0.000 0.359 356 F C -0.938 174.716 175.800 -0.242 0.000 1.122 356 F CA -1.690 56.241 58.000 -0.115 0.000 1.120 356 F CB 0.131 39.072 39.000 -0.098 0.000 1.142 356 F HN 0.338 nan 8.300 nan 0.000 0.483 357 I N 6.000 126.129 120.570 -0.736 0.000 2.355 357 I HA 0.314 4.483 4.170 -0.001 0.000 0.288 357 I C -0.057 175.418 176.117 -1.071 0.000 0.999 357 I CA -0.383 60.324 61.300 -0.989 0.000 1.163 357 I CB 1.653 38.865 38.000 -1.313 0.000 1.316 357 I HN 0.570 nan 8.210 nan 0.000 0.454 358 T N 4.762 118.768 114.554 -0.914 0.000 2.900 358 T HA 0.725 5.074 4.350 -0.001 0.000 0.295 358 T C -0.722 173.805 174.700 -0.289 0.000 1.044 358 T CA -0.523 61.201 62.100 -0.626 0.000 0.995 358 T CB 1.460 69.829 68.868 -0.832 0.000 1.072 358 T HN 0.604 nan 8.240 nan 0.000 0.473 359 A N 2.742 125.504 122.820 -0.097 0.000 2.309 359 A HA 0.695 5.014 4.320 -0.001 0.000 0.290 359 A C 0.594 178.192 177.584 0.024 0.000 1.206 359 A CA -0.323 51.708 52.037 -0.009 0.000 0.850 359 A CB -0.014 19.013 19.000 0.044 0.000 1.118 359 A HN 1.148 nan 8.150 nan 0.000 0.523 360 A N 3.310 126.143 122.820 0.020 0.000 3.016 360 A HA 0.265 4.585 4.320 -0.001 0.000 0.303 360 A C 1.092 178.751 177.584 0.124 0.000 1.507 360 A CA -0.199 51.885 52.037 0.079 0.000 1.196 360 A CB -0.984 18.041 19.000 0.040 0.000 1.169 360 A HN 1.018 nan 8.150 nan 0.000 0.544 361 N N 2.039 120.818 118.700 0.131 0.000 2.069 361 N HA -0.240 4.500 4.740 -0.001 0.000 0.191 361 N C 1.642 177.184 175.510 0.054 0.000 1.031 361 N CA 1.387 54.488 53.050 0.086 0.000 0.852 361 N CB -0.165 38.360 38.487 0.064 0.000 1.018 361 N HN 0.492 nan 8.380 nan 0.000 0.423 362 A N 0.884 123.714 122.820 0.017 0.000 2.121 362 A HA -0.020 4.300 4.320 -0.001 0.000 0.218 362 A C 2.031 179.613 177.584 -0.002 0.000 1.154 362 A CA 0.672 52.645 52.037 -0.106 0.000 0.679 362 A CB -0.300 18.402 19.000 -0.496 0.000 0.795 362 A HN 0.344 nan 8.150 nan 0.000 0.458 363 R N -0.731 119.830 120.500 0.101 0.000 2.393 363 R HA 0.087 4.426 4.340 -0.001 0.000 0.244 363 R C -0.312 176.037 176.300 0.082 0.000 0.920 363 R CA 0.059 56.225 56.100 0.110 0.000 1.076 363 R CB 0.168 30.570 30.300 0.171 0.000 1.119 363 R HN 0.449 nan 8.270 nan 0.000 0.524 364 N N 1.596 120.343 118.700 0.079 0.000 2.708 364 N HA -0.165 4.575 4.740 -0.001 0.000 0.249 364 N C -0.941 174.618 175.510 0.083 0.000 1.097 364 N CA 1.333 54.438 53.050 0.091 0.000 0.710 364 N CB -0.635 37.899 38.487 0.079 0.000 1.032 364 N HN 0.181 nan 8.380 nan 0.000 0.551 365 K N 0.372 120.810 120.400 0.063 0.000 2.267 365 K HA 0.551 4.871 4.320 -0.001 0.000 0.246 365 K C 0.513 177.115 176.600 0.002 0.000 0.954 365 K CA -0.612 55.694 56.287 0.031 0.000 0.824 365 K CB 1.800 34.306 32.500 0.011 0.000 1.167 365 K HN 0.048 nan 8.250 nan 0.000 0.431 366 L N 1.765 122.974 121.223 -0.025 0.000 2.296 366 L HA 0.416 4.756 4.340 -0.001 0.000 0.286 366 L C -0.357 176.408 176.870 -0.176 0.000 1.023 366 L CA -1.179 53.603 54.840 -0.096 0.000 0.812 366 L CB 1.673 43.691 42.059 -0.069 0.000 1.223 366 L HN 0.109 nan 8.230 nan 0.000 0.421 367 V N 4.327 124.084 119.914 -0.261 0.000 2.427 367 V HA 0.390 4.510 4.120 -0.001 0.000 0.286 367 V C -0.014 175.822 176.094 -0.430 0.000 1.034 367 V CA -0.602 61.517 62.300 -0.303 0.000 0.893 367 V CB 2.100 33.757 31.823 -0.277 0.000 0.982 367 V HN 0.413 nan 8.190 nan 0.000 0.452 368 V N 6.041 125.685 119.914 -0.450 0.000 2.409 368 V HA 0.515 4.635 4.120 -0.001 0.000 0.291 368 V C -0.356 175.465 176.094 -0.455 0.000 1.020 368 V CA -0.542 61.398 62.300 -0.600 0.000 0.848 368 V CB 1.634 32.851 31.823 -1.010 0.000 0.990 368 V HN 0.559 nan 8.190 nan 0.000 0.430 369 I N 3.279 123.670 120.570 -0.299 0.000 2.441 369 I HA 0.402 4.572 4.170 -0.001 0.000 0.295 369 I C -0.137 175.940 176.117 -0.066 0.000 0.994 369 I CA -0.593 60.622 61.300 -0.141 0.000 1.144 369 I CB 1.839 39.837 38.000 -0.003 0.000 1.314 369 I HN 0.595 nan 8.210 nan 0.000 0.445 370 D N 4.079 124.441 120.400 -0.063 0.000 2.365 370 D HA 0.079 4.718 4.640 -0.001 0.000 0.237 370 D C 1.282 177.454 176.300 -0.214 0.000 1.190 370 D CA -0.083 53.841 54.000 -0.127 0.000 0.867 370 D CB 1.137 41.918 40.800 -0.032 0.000 1.050 370 D HN 0.695 nan 8.370 nan 0.000 0.491 371 T N 1.149 115.526 114.554 -0.295 0.000 3.035 371 T HA -0.106 4.243 4.350 -0.001 0.000 0.268 371 T C 1.582 176.144 174.700 -0.230 0.000 1.109 371 T CA 0.783 62.752 62.100 -0.217 0.000 1.119 371 T CB 0.109 68.886 68.868 -0.151 0.000 0.900 371 T HN 0.368 nan 8.240 nan 0.000 0.503 372 K N 0.641 120.819 120.400 -0.371 0.000 2.044 372 K HA -0.018 4.301 4.320 -0.001 0.000 0.204 372 K C 1.981 178.502 176.600 -0.131 0.000 1.049 372 K CA 1.039 57.178 56.287 -0.247 0.000 0.945 372 K CB 0.129 32.408 32.500 -0.369 0.000 0.724 372 K HN 0.180 nan 8.250 nan 0.000 0.440 373 E N -0.424 119.691 120.200 -0.141 0.000 2.474 373 E HA 0.053 4.402 4.350 -0.001 0.000 0.194 373 E C 0.485 177.038 176.600 -0.080 0.000 1.041 373 E CA 0.668 57.019 56.400 -0.082 0.000 0.874 373 E CB 0.709 30.374 29.700 -0.057 0.000 0.914 373 E HN 0.561 nan 8.360 nan 0.000 0.498 374 G N 2.249 110.989 108.800 -0.100 0.000 2.314 374 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.292 374 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.292 374 G C -0.077 174.777 174.900 -0.076 0.000 1.059 374 G CA 0.800 45.845 45.100 -0.091 0.000 0.982 374 G HN 0.159 nan 8.290 nan 0.000 0.505 375 K N -1.178 119.176 120.400 -0.076 0.000 2.508 375 K HA 0.567 4.887 4.320 -0.001 0.000 0.260 375 K C -0.354 176.193 176.600 -0.089 0.000 0.949 375 K CA -1.276 54.969 56.287 -0.070 0.000 0.834 375 K CB 2.231 34.698 32.500 -0.054 0.000 1.365 375 K HN 0.187 nan 8.250 nan 0.000 0.437 376 L N 2.483 123.647 121.223 -0.097 0.000 2.453 376 L HA 0.024 4.364 4.340 -0.001 0.000 0.272 376 L C 0.621 177.400 176.870 -0.150 0.000 1.182 376 L CA 0.429 55.186 54.840 -0.137 0.000 0.858 376 L CB 1.061 43.041 42.059 -0.131 0.000 1.120 376 L HN 0.635 nan 8.230 nan 0.000 0.474 377 V N 1.728 121.498 119.914 -0.240 0.000 3.455 377 V HA 0.781 4.900 4.120 -0.001 0.000 0.250 377 V C 0.511 176.424 176.094 -0.302 0.000 1.230 377 V CA 0.503 62.640 62.300 -0.272 0.000 1.105 377 V CB -0.437 31.158 31.823 -0.381 0.000 0.850 377 V HN 1.022 nan 8.190 nan 0.000 0.461 378 A N -0.024 122.588 122.820 -0.346 0.000 2.599 378 A HA 0.810 5.129 4.320 -0.001 0.000 0.294 378 A C -1.475 175.983 177.584 -0.211 0.000 1.055 378 A CA -0.454 51.439 52.037 -0.239 0.000 0.683 378 A CB 1.269 20.132 19.000 -0.229 0.000 1.278 378 A HN 0.326 nan 8.150 nan 0.000 0.412 379 I N 1.667 122.162 120.570 -0.124 0.000 2.500 379 I HA 0.443 4.612 4.170 -0.001 0.000 0.286 379 I C -0.977 175.110 176.117 -0.050 0.000 1.063 379 I CA -0.428 60.809 61.300 -0.104 0.000 1.062 379 I CB 1.944 39.888 38.000 -0.093 0.000 1.223 379 I HN 0.536 nan 8.210 nan 0.000 0.435 380 E N 4.484 124.661 120.200 -0.039 0.000 2.272 380 E HA 0.276 4.625 4.350 -0.001 0.000 0.269 380 E C -1.310 175.297 176.600 0.012 0.000 0.877 380 E CA -0.649 55.748 56.400 -0.003 0.000 0.755 380 E CB 2.994 32.703 29.700 0.014 0.000 1.192 380 E HN 0.482 nan 8.360 nan 0.000 0.422 381 D N 1.174 121.587 120.400 0.021 0.000 2.350 381 D HA 0.028 4.668 4.640 -0.001 0.000 0.249 381 D C 0.955 177.284 176.300 0.048 0.000 1.119 381 D CA 0.166 54.188 54.000 0.036 0.000 0.886 381 D CB 1.220 42.038 40.800 0.030 0.000 1.195 381 D HN 0.435 nan 8.370 nan 0.000 0.437 382 T N 0.401 115.006 114.554 0.085 0.000 3.067 382 T HA 0.184 4.533 4.350 -0.001 0.000 0.261 382 T C 1.481 176.210 174.700 0.049 0.000 1.110 382 T CA 0.721 62.890 62.100 0.115 0.000 1.113 382 T CB 0.132 69.173 68.868 0.287 0.000 0.917 382 T HN 0.661 nan 8.240 nan 0.000 0.499 383 G N 0.381 109.190 108.800 0.014 0.000 2.176 383 G HA2 -0.050 3.910 3.960 -0.001 0.000 0.253 383 G HA3 -0.050 3.910 3.960 -0.001 0.000 0.253 383 G C 0.394 175.226 174.900 -0.115 0.000 0.979 383 G CA -0.058 45.021 45.100 -0.035 0.000 0.641 383 G HN 1.079 nan 8.290 nan 0.000 0.530 384 G N -1.288 107.395 108.800 -0.195 0.000 2.667 384 G HA2 0.609 4.569 3.960 -0.001 0.000 0.310 384 G HA3 0.609 4.569 3.960 -0.001 0.000 0.310 384 G C -0.624 174.167 174.900 -0.182 0.000 1.259 384 G CA -0.430 44.373 45.100 -0.494 0.000 1.019 384 G HN 0.201 nan 8.290 nan 0.000 0.496 385 Q N 0.769 120.486 119.800 -0.139 0.000 2.372 385 Q HA 0.396 4.735 4.340 -0.001 0.000 0.259 385 Q C -0.494 175.609 176.000 0.171 0.000 0.993 385 Q CA -0.178 55.644 55.803 0.032 0.000 0.854 385 Q CB 1.125 29.858 28.738 -0.008 0.000 1.231 385 Q HN 0.708 nan 8.270 nan 0.000 0.462 386 T N 2.427 117.084 114.554 0.172 0.000 3.574 386 T HA -0.087 4.263 4.350 -0.001 0.000 0.406 386 T C -2.454 172.337 174.700 0.151 0.000 0.765 386 T CA -0.292 61.886 62.100 0.129 0.000 2.116 386 T CB -1.119 67.784 68.868 0.058 0.000 1.724 386 T HN 0.445 nan 8.240 nan 0.000 0.738 387 P HA 0.081 nan 4.420 nan 0.000 0.265 387 P C -0.212 177.053 177.300 -0.058 0.000 1.193 387 P CA 0.365 63.319 63.100 -0.244 0.000 0.765 387 P CB 0.466 32.052 31.700 -0.190 0.000 0.823 388 H N 5.701 124.652 119.070 -0.199 0.000 2.651 388 H HA 0.214 4.769 4.556 -0.001 0.000 0.252 388 H C -2.141 173.104 175.328 -0.137 0.000 1.365 388 H CA -1.879 54.102 56.048 -0.110 0.000 1.539 388 H CB 1.517 31.195 29.762 -0.140 0.000 1.621 388 H HN 0.211 nan 8.280 nan 0.000 0.526 389 P HA 0.073 nan 4.420 nan 0.000 0.227 389 P C 1.074 178.360 177.300 -0.022 0.000 1.161 389 P CA 1.501 64.532 63.100 -0.114 0.000 0.788 389 P CB 1.167 32.895 31.700 0.046 0.000 0.822 390 G N 1.751 110.501 108.800 -0.082 0.000 2.565 390 G HA2 -0.353 3.606 3.960 -0.001 0.000 0.295 390 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.295 390 G C 0.994 175.982 174.900 0.147 0.000 1.165 390 G CA 0.446 45.679 45.100 0.222 0.000 0.977 390 G HN 0.287 nan 8.290 nan 0.000 0.546 391 R N 1.675 122.222 120.500 0.079 0.000 2.300 391 R HA 0.444 4.784 4.340 -0.001 0.000 0.199 391 R C 1.463 177.821 176.300 0.097 0.000 0.920 391 R CA 1.146 57.187 56.100 -0.100 0.000 1.046 391 R CB 0.023 29.894 30.300 -0.715 0.000 0.984 391 R HN 2.030 nan 8.270 nan 0.000 0.493 392 G N 0.547 109.366 108.800 0.032 0.000 2.725 392 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.220 392 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.220 392 G C -1.011 173.806 174.900 -0.139 0.000 1.357 392 G CA -0.499 44.413 45.100 -0.314 0.000 0.866 392 G HN 0.375 nan 8.290 nan 0.000 0.548 393 A N 0.168 122.762 122.820 -0.377 0.000 2.385 393 A HA 0.726 5.045 4.320 -0.001 0.000 0.290 393 A C -0.252 177.417 177.584 0.142 0.000 1.094 393 A CA -0.514 51.568 52.037 0.075 0.000 0.729 393 A CB 0.947 20.051 19.000 0.174 0.000 1.194 393 A HN 0.777 nan 8.150 nan 0.000 0.442 394 N N 1.869 120.751 118.700 0.303 0.000 2.456 394 N HA 0.769 5.508 4.740 -0.001 0.000 0.288 394 N C -0.941 174.765 175.510 0.327 0.000 1.059 394 N CA 0.297 53.510 53.050 0.272 0.000 0.946 394 N CB 1.501 40.142 38.487 0.257 0.000 1.150 394 N HN 0.659 nan 8.380 nan 0.000 0.479 395 F N -2.248 117.774 119.950 0.120 0.000 2.713 395 F HA 0.431 4.958 4.527 -0.001 0.000 0.311 395 F C -1.189 174.663 175.800 0.087 0.000 1.141 395 F CA -1.252 56.799 58.000 0.086 0.000 0.939 395 F CB 0.584 39.641 39.000 0.095 0.000 1.325 395 F HN -0.014 nan 8.300 nan 0.000 0.453 396 V N 2.937 123.009 119.914 0.264 0.000 2.339 396 V HA 0.147 4.266 4.120 -0.001 0.000 0.261 396 V C 0.186 176.456 176.094 0.294 0.000 1.058 396 V CA -0.301 62.091 62.300 0.152 0.000 0.897 396 V CB -0.205 31.680 31.823 0.102 0.000 1.052 396 V HN 0.832 nan 8.190 nan 0.000 0.480 397 H N 8.544 127.691 119.070 0.129 0.000 2.886 397 H HA 0.134 4.690 4.556 -0.001 0.000 0.329 397 H C -1.726 173.664 175.328 0.102 0.000 1.044 397 H CA -1.654 54.543 56.048 0.248 0.000 1.456 397 H CB 1.941 31.837 29.762 0.223 0.000 1.464 397 H HN 0.330 nan 8.280 nan 0.000 0.573 398 P HA -0.150 nan 4.420 nan 0.000 0.217 398 P C 1.190 178.537 177.300 0.078 0.000 1.148 398 P CA 2.353 65.449 63.100 -0.006 0.000 0.828 398 P CB 0.259 31.886 31.700 -0.123 0.000 0.783 399 T N -6.490 108.180 114.554 0.193 0.000 2.999 399 T HA 0.133 4.483 4.350 -0.001 0.000 0.247 399 T C 1.382 176.087 174.700 0.009 0.000 1.012 399 T CA 0.019 62.131 62.100 0.019 0.000 1.048 399 T CB -0.802 67.961 68.868 -0.174 0.000 1.020 399 T HN -0.164 nan 8.240 nan 0.000 0.478 400 F N 2.778 122.795 119.950 0.112 0.000 2.512 400 F HA 0.510 5.036 4.527 -0.001 0.000 0.296 400 F C 1.982 177.578 175.800 -0.340 0.000 1.110 400 F CA 0.144 58.035 58.000 -0.182 0.000 1.446 400 F CB -0.664 38.061 39.000 -0.459 0.000 1.092 400 F HN 0.627 nan 8.300 nan 0.000 0.554 401 G N -0.327 108.384 108.800 -0.148 0.000 2.587 401 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.212 401 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.212 401 G C -2.852 171.878 174.900 -0.283 0.000 1.327 401 G CA -1.273 43.497 45.100 -0.550 0.000 0.898 401 G HN -0.069 nan 8.290 nan 0.000 0.551 402 P HA 0.404 nan 4.420 nan 0.000 0.262 402 P C 0.240 177.405 177.300 -0.226 0.000 1.199 402 P CA 0.621 63.612 63.100 -0.181 0.000 0.763 402 P CB 0.900 32.529 31.700 -0.118 0.000 0.790 403 V N 1.267 121.024 119.914 -0.261 0.000 3.102 403 V HA 0.742 4.861 4.120 -0.001 0.000 0.312 403 V C -1.663 174.356 176.094 -0.126 0.000 1.135 403 V CA -1.289 60.854 62.300 -0.261 0.000 1.022 403 V CB 2.494 34.090 31.823 -0.378 0.000 1.056 403 V HN 0.563 nan 8.190 nan 0.000 0.436 404 W N 1.934 123.124 121.300 -0.184 0.000 2.739 404 W HA 0.857 5.517 4.660 -0.001 0.000 0.331 404 W C -0.415 176.096 176.519 -0.014 0.000 1.049 404 W CA -0.229 57.094 57.345 -0.037 0.000 1.234 404 W CB 1.828 31.328 29.460 0.066 0.000 1.404 404 W HN 1.035 nan 8.180 nan 0.000 0.477 405 A N 3.576 126.180 122.820 -0.360 0.000 2.355 405 A HA 0.793 5.113 4.320 -0.001 0.000 0.324 405 A C -0.948 176.171 177.584 -0.776 0.000 1.117 405 A CA -0.535 51.299 52.037 -0.339 0.000 0.785 405 A CB 1.908 20.916 19.000 0.014 0.000 1.254 405 A HN 0.506 nan 8.150 nan 0.000 0.453 406 T N 0.132 114.405 114.554 -0.468 0.000 2.909 406 T HA 0.646 4.995 4.350 -0.001 0.000 0.299 406 T C 0.073 174.617 174.700 -0.260 0.000 1.073 406 T CA 0.169 62.012 62.100 -0.428 0.000 0.999 406 T CB 1.068 69.735 68.868 -0.334 0.000 1.098 406 T HN 1.403 nan 8.240 nan 0.000 0.477 407 S N 2.728 118.305 115.700 -0.204 0.000 2.745 407 S HA 0.765 5.234 4.470 -0.001 0.000 0.292 407 S C -0.874 173.582 174.600 -0.240 0.000 1.127 407 S CA -0.578 57.563 58.200 -0.099 0.000 1.007 407 S CB 0.725 63.926 63.200 0.002 0.000 1.165 407 S HN 0.827 nan 8.310 nan 0.000 0.544 408 H N -0.893 118.167 119.070 -0.017 0.000 2.690 408 H HA 0.488 5.043 4.556 -0.001 0.000 0.368 408 H C 0.444 175.762 175.328 -0.015 0.000 1.150 408 H CA -0.761 55.286 56.048 -0.001 0.000 1.174 408 H CB 1.428 31.183 29.762 -0.013 0.000 1.684 408 H HN 0.498 nan 8.280 nan 0.000 0.538 409 M N 0.741 120.393 119.600 0.086 0.000 2.236 409 M HA 0.052 4.531 4.480 -0.001 0.000 0.266 409 M C 1.919 178.233 176.300 0.024 0.000 1.070 409 M CA 1.519 56.822 55.300 0.006 0.000 1.137 409 M CB 0.167 32.739 32.600 -0.047 0.000 1.378 409 M HN 0.855 nan 8.290 nan 0.000 0.426 410 G N 0.414 109.249 108.800 0.058 0.000 2.777 410 G HA2 0.006 3.966 3.960 -0.001 0.000 0.211 410 G HA3 0.006 3.966 3.960 -0.001 0.000 0.211 410 G C -0.182 174.723 174.900 0.009 0.000 1.149 410 G CA 0.324 45.439 45.100 0.025 0.000 0.785 410 G HN 0.549 nan 8.290 nan 0.000 0.536 411 D N -1.877 118.535 120.400 0.020 0.000 2.692 411 D HA 0.190 4.830 4.640 -0.001 0.000 0.303 411 D C -0.322 175.983 176.300 0.008 0.000 1.278 411 D CA -0.499 53.492 54.000 -0.015 0.000 0.852 411 D CB 0.165 40.923 40.800 -0.070 0.000 1.375 411 D HN -0.053 nan 8.370 nan 0.000 0.453 412 D N -0.959 119.442 120.400 0.001 0.000 2.319 412 D HA 0.093 4.732 4.640 -0.001 0.000 0.230 412 D C 0.014 176.329 176.300 0.025 0.000 1.094 412 D CA -0.191 53.823 54.000 0.023 0.000 0.856 412 D CB -0.496 40.328 40.800 0.040 0.000 0.915 412 D HN 0.394 nan 8.370 nan 0.000 0.517 413 S N -0.677 115.009 115.700 -0.025 0.000 2.610 413 S HA 0.530 5.000 4.470 -0.001 0.000 0.273 413 S C -0.092 174.522 174.600 0.022 0.000 1.274 413 S CA -0.830 57.329 58.200 -0.069 0.000 1.023 413 S CB 1.857 64.922 63.200 -0.224 0.000 0.962 413 S HN -0.022 nan 8.310 nan 0.000 0.523 414 V N 1.854 121.632 119.914 -0.226 0.000 2.448 414 V HA 0.766 4.885 4.120 -0.001 0.000 0.295 414 V C 0.248 176.066 176.094 -0.460 0.000 1.025 414 V CA -0.547 61.530 62.300 -0.372 0.000 0.859 414 V CB 1.019 32.389 31.823 -0.754 0.000 0.988 414 V HN 1.211 nan 8.190 nan 0.000 0.431 415 A N 5.963 128.683 122.820 -0.165 0.000 2.337 415 A HA 0.930 5.249 4.320 -0.001 0.000 0.329 415 A C -0.926 176.618 177.584 -0.068 0.000 1.146 415 A CA -0.603 51.380 52.037 -0.091 0.000 0.800 415 A CB 1.053 20.111 19.000 0.096 0.000 1.220 415 A HN 0.792 nan 8.150 nan 0.000 0.472 416 L N 2.688 123.884 121.223 -0.045 0.000 2.322 416 L HA 0.596 4.936 4.340 -0.001 0.000 0.281 416 L C -0.511 176.333 176.870 -0.043 0.000 1.014 416 L CA -0.367 54.462 54.840 -0.017 0.000 0.815 416 L CB 1.608 43.668 42.059 0.002 0.000 1.247 416 L HN 0.711 nan 8.230 nan 0.000 0.421 417 I N 1.367 121.959 120.570 0.036 0.000 2.433 417 I HA 0.523 4.693 4.170 -0.001 0.000 0.292 417 I C 0.539 176.601 176.117 -0.091 0.000 1.001 417 I CA -0.378 60.926 61.300 0.008 0.000 1.119 417 I CB 1.808 39.898 38.000 0.150 0.000 1.289 417 I HN 0.662 nan 8.210 nan 0.000 0.438 418 G N 3.318 111.975 108.800 -0.238 0.000 2.398 418 G HA2 0.287 4.247 3.960 -0.001 0.000 0.246 418 G HA3 0.287 4.247 3.960 -0.001 0.000 0.246 418 G C 0.478 175.016 174.900 -0.603 0.000 1.289 418 G CA 0.151 45.027 45.100 -0.374 0.000 0.869 418 G HN 0.739 nan 8.290 nan 0.000 0.543 419 T N -1.181 113.036 114.554 -0.561 0.000 3.296 419 T HA 0.243 4.592 4.350 -0.001 0.000 0.285 419 T C -0.151 174.168 174.700 -0.636 0.000 1.014 419 T CA -0.414 61.242 62.100 -0.739 0.000 0.920 419 T CB 0.557 69.343 68.868 -0.137 0.000 1.143 419 T HN 0.360 nan 8.240 nan 0.000 0.522 420 D N 2.055 122.090 120.400 -0.608 0.000 2.400 420 D HA 0.335 4.975 4.640 -0.001 0.000 0.272 420 D C -1.727 174.395 176.300 -0.296 0.000 1.220 420 D CA -2.345 51.481 54.000 -0.290 0.000 0.897 420 D CB 1.883 42.636 40.800 -0.079 0.000 1.134 420 D HN 0.006 nan 8.370 nan 0.000 0.507 421 P HA -0.103 nan 4.420 nan 0.000 0.218 421 P C 0.933 178.188 177.300 -0.074 0.000 1.149 421 P CA 0.960 63.923 63.100 -0.228 0.000 0.817 421 P CB 0.728 32.368 31.700 -0.099 0.000 0.785 422 E N -0.465 119.726 120.200 -0.015 0.000 2.076 422 E HA -0.005 4.344 4.350 -0.001 0.000 0.190 422 E C 2.291 178.881 176.600 -0.018 0.000 0.979 422 E CA 1.196 57.601 56.400 0.007 0.000 0.807 422 E CB -0.548 29.177 29.700 0.042 0.000 0.761 422 E HN 0.276 nan 8.360 nan 0.000 0.454 423 G N -0.269 108.528 108.800 -0.004 0.000 2.595 423 G HA2 -0.067 3.893 3.960 -0.001 0.000 0.213 423 G HA3 -0.067 3.893 3.960 -0.001 0.000 0.213 423 G C 0.243 175.034 174.900 -0.183 0.000 1.141 423 G CA 0.049 45.125 45.100 -0.040 0.000 0.806 423 G HN 0.154 nan 8.290 nan 0.000 0.530 424 H N -0.149 118.867 119.070 -0.091 0.000 2.439 424 H HA 0.312 4.867 4.556 -0.001 0.000 0.228 424 H C -1.840 173.404 175.328 -0.140 0.000 1.423 424 H CA -1.382 54.610 56.048 -0.094 0.000 1.386 424 H CB 1.758 31.464 29.762 -0.094 0.000 1.641 424 H HN 0.062 nan 8.280 nan 0.000 0.508 425 P HA -0.181 nan 4.420 nan 0.000 0.215 425 P C 1.233 178.484 177.300 -0.081 0.000 1.157 425 P CA 1.243 64.296 63.100 -0.077 0.000 0.874 425 P CB 0.539 32.208 31.700 -0.052 0.000 0.790 426 D N -1.264 119.107 120.400 -0.048 0.000 2.182 426 D HA -0.122 4.517 4.640 -0.001 0.000 0.201 426 D C 1.467 177.723 176.300 -0.073 0.000 0.986 426 D CA 0.992 54.967 54.000 -0.043 0.000 0.847 426 D CB -0.666 40.125 40.800 -0.015 0.000 0.942 426 D HN 0.121 nan 8.370 nan 0.000 0.467 427 N N 0.331 118.980 118.700 -0.084 0.000 2.446 427 N HA 0.039 4.779 4.740 -0.001 0.000 0.179 427 N C 0.260 175.603 175.510 -0.279 0.000 1.054 427 N CA 0.119 53.076 53.050 -0.155 0.000 0.905 427 N CB -0.069 38.349 38.487 -0.115 0.000 0.973 427 N HN 0.023 nan 8.380 nan 0.000 0.448 428 A N 0.231 122.834 122.820 -0.361 0.000 2.524 428 A HA 0.140 4.459 4.320 -0.001 0.000 0.250 428 A C -0.103 177.114 177.584 -0.612 0.000 1.078 428 A CA -0.169 51.420 52.037 -0.746 0.000 0.761 428 A CB -0.737 17.743 19.000 -0.867 0.000 1.012 428 A HN 0.516 nan 8.150 nan 0.000 0.500 429 W N 0.490 121.686 121.300 -0.172 0.000 4.141 429 W HA -0.191 4.469 4.660 -0.001 0.000 0.336 429 W C 0.220 176.661 176.519 -0.130 0.000 1.258 429 W CA 0.647 57.892 57.345 -0.166 0.000 0.747 429 W CB -1.288 28.064 29.460 -0.179 0.000 2.338 429 W HN 0.555 nan 8.180 nan 0.000 1.410 430 K N 0.729 121.106 120.400 -0.039 0.000 2.259 430 K HA 0.427 4.746 4.320 -0.001 0.000 0.252 430 K C 0.214 176.755 176.600 -0.099 0.000 0.936 430 K CA -1.108 55.145 56.287 -0.057 0.000 0.810 430 K CB 1.513 33.955 32.500 -0.097 0.000 1.143 430 K HN -0.199 nan 8.250 nan 0.000 0.427 431 I N 4.600 125.127 120.570 -0.072 0.000 2.494 431 I HA -0.022 4.148 4.170 -0.001 0.000 0.289 431 I C 1.484 177.488 176.117 -0.187 0.000 1.106 431 I CA 0.291 61.536 61.300 -0.093 0.000 1.369 431 I CB -0.371 37.607 38.000 -0.037 0.000 1.410 431 I HN 0.484 nan 8.210 nan 0.000 0.523 432 L N 3.943 124.964 121.223 -0.335 0.000 2.416 432 L HA 0.205 4.544 4.340 -0.001 0.000 0.216 432 L C 0.334 176.920 176.870 -0.473 0.000 1.098 432 L CA 0.595 55.046 54.840 -0.649 0.000 0.840 432 L CB -0.015 41.237 42.059 -1.344 0.000 0.981 432 L HN 0.569 nan 8.230 nan 0.000 0.462 433 D N -1.487 118.801 120.400 -0.188 0.000 2.663 433 D HA 0.339 4.979 4.640 -0.001 0.000 0.233 433 D C -1.553 174.788 176.300 0.069 0.000 1.240 433 D CA -0.144 53.907 54.000 0.085 0.000 0.774 433 D CB 2.223 43.235 40.800 0.353 0.000 1.443 433 D HN -0.238 nan 8.370 nan 0.000 0.441 434 S N 1.492 117.264 115.700 0.120 0.000 2.614 434 S HA 0.807 5.277 4.470 -0.001 0.000 0.275 434 S C -1.672 172.997 174.600 0.115 0.000 1.161 434 S CA -0.659 57.519 58.200 -0.036 0.000 0.969 434 S CB 0.083 63.267 63.200 -0.027 0.000 1.059 434 S HN 0.356 nan 8.310 nan 0.000 0.482 435 F N 2.119 122.094 119.950 0.042 0.000 2.668 435 F HA 0.827 5.353 4.527 -0.001 0.000 0.309 435 F C -3.077 172.783 175.800 0.100 0.000 1.117 435 F CA -2.228 55.818 58.000 0.077 0.000 0.951 435 F CB 0.788 39.842 39.000 0.088 0.000 1.323 435 F HN 0.276 nan 8.300 nan 0.000 0.451 436 P HA 0.502 nan 4.420 nan 0.000 0.282 436 P C -0.910 176.664 177.300 0.456 0.000 1.249 436 P CA 0.041 63.330 63.100 0.314 0.000 0.806 436 P CB 1.892 33.761 31.700 0.281 0.000 0.984 437 A N 2.605 125.543 122.820 0.195 0.000 3.936 437 A HA 0.420 4.739 4.320 -0.001 0.000 0.160 437 A C 1.625 178.989 177.584 -0.367 0.000 1.286 437 A CA -0.394 51.552 52.037 -0.151 0.000 1.236 437 A CB -0.666 18.341 19.000 0.012 0.000 1.604 437 A HN 0.449 nan 8.150 nan 0.000 0.674 438 L N -0.667 120.329 121.223 -0.378 0.000 2.109 438 L HA 0.266 4.605 4.340 -0.001 0.000 0.207 438 L C 1.259 178.116 176.870 -0.021 0.000 1.086 438 L CA 1.211 55.950 54.840 -0.169 0.000 0.760 438 L CB -0.227 41.741 42.059 -0.152 0.000 0.910 438 L HN 0.913 nan 8.230 nan 0.000 0.437 439 G N -2.151 106.636 108.800 -0.021 0.000 2.315 439 G HA2 0.348 4.308 3.960 -0.001 0.000 0.294 439 G HA3 0.348 4.308 3.960 -0.001 0.000 0.294 439 G C -0.808 174.094 174.900 0.003 0.000 1.300 439 G CA -0.394 44.709 45.100 0.005 0.000 0.843 439 G HN 0.127 nan 8.290 nan 0.000 0.527 440 G N -1.751 107.051 108.800 0.003 0.000 2.634 440 G HA2 0.563 4.523 3.960 -0.001 0.000 0.255 440 G HA3 0.563 4.523 3.960 -0.001 0.000 0.255 440 G C 1.274 176.171 174.900 -0.005 0.000 1.205 440 G CA 1.160 46.262 45.100 0.004 0.000 0.884 440 G HN 2.366 nan 8.290 nan 0.000 0.549 441 G N -1.557 107.238 108.800 -0.009 0.000 2.132 441 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.228 441 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.228 441 G C 0.545 175.426 174.900 -0.032 0.000 1.000 441 G CA 0.665 45.749 45.100 -0.027 0.000 0.693 441 G HN 1.328 nan 8.290 nan 0.000 0.515 442 S N -0.896 114.791 115.700 -0.021 0.000 2.565 442 S HA 0.669 5.138 4.470 -0.001 0.000 0.276 442 S C 1.546 176.080 174.600 -0.110 0.000 1.326 442 S CA -0.074 58.114 58.200 -0.019 0.000 1.045 442 S CB 0.878 64.090 63.200 0.020 0.000 0.918 442 S HN 0.408 nan 8.310 nan 0.000 0.505 443 L N 2.605 123.736 121.223 -0.153 0.000 2.600 443 L HA 0.451 4.791 4.340 -0.001 0.000 0.213 443 L C -0.788 175.733 176.870 -0.582 0.000 1.045 443 L CA 0.161 54.699 54.840 -0.502 0.000 0.863 443 L CB 0.244 41.929 42.059 -0.623 0.000 1.189 443 L HN 0.518 nan 8.230 nan 0.000 0.484 444 F N -0.009 120.054 119.950 0.189 0.000 2.569 444 F HA 0.507 5.033 4.527 -0.001 0.000 0.312 444 F C -0.436 175.464 175.800 0.168 0.000 1.109 444 F CA -0.681 57.428 58.000 0.181 0.000 0.919 444 F CB 2.244 41.344 39.000 0.166 0.000 1.211 444 F HN -0.281 nan 8.300 nan 0.000 0.446 445 I N 3.064 123.814 120.570 0.300 0.000 2.530 445 I HA 0.667 4.837 4.170 -0.001 0.000 0.297 445 I C -1.286 175.006 176.117 0.291 0.000 1.011 445 I CA -0.634 60.818 61.300 0.253 0.000 1.107 445 I CB 1.586 39.652 38.000 0.110 0.000 1.285 445 I HN 0.596 nan 8.210 nan 0.000 0.436 446 K N 3.841 124.473 120.400 0.387 0.000 2.523 446 K HA 0.653 4.973 4.320 -0.001 0.000 0.257 446 K C -1.172 175.789 176.600 0.601 0.000 0.932 446 K CA -0.423 56.130 56.287 0.444 0.000 0.812 446 K CB 2.171 34.902 32.500 0.385 0.000 1.326 446 K HN 0.651 nan 8.250 nan 0.000 0.433 447 T N 0.737 115.607 114.554 0.526 0.000 2.731 447 T HA 0.477 4.827 4.350 -0.001 0.000 0.300 447 T C -2.156 172.558 174.700 0.023 0.000 1.283 447 T CA -0.476 61.872 62.100 0.413 0.000 1.005 447 T CB 0.777 69.817 68.868 0.286 0.000 1.420 447 T HN 0.576 nan 8.240 nan 0.000 0.503 448 H N 0.271 119.111 119.070 -0.384 0.000 3.046 448 H HA 0.347 4.903 4.556 -0.001 0.000 0.363 448 H C -2.358 172.843 175.328 -0.211 0.000 1.203 448 H CA -1.557 54.195 56.048 -0.493 0.000 1.169 448 H CB 2.547 31.559 29.762 -1.250 0.000 1.851 448 H HN 0.323 nan 8.280 nan 0.000 0.546 449 P HA -0.097 nan 4.420 nan 0.000 0.219 449 P C 0.666 177.987 177.300 0.035 0.000 1.146 449 P CA 1.097 64.109 63.100 -0.147 0.000 0.808 449 P CB 0.425 31.996 31.700 -0.216 0.000 0.779 450 N N -1.429 117.427 118.700 0.260 0.000 2.398 450 N HA 0.019 4.759 4.740 -0.001 0.000 0.188 450 N C 0.473 176.064 175.510 0.135 0.000 1.122 450 N CA 0.417 53.588 53.050 0.201 0.000 0.866 450 N CB -0.052 38.570 38.487 0.224 0.000 0.970 450 N HN 0.080 nan 8.380 nan 0.000 0.462 451 S N 0.285 116.053 115.700 0.114 0.000 2.593 451 S HA 0.212 4.682 4.470 -0.001 0.000 0.297 451 S C 0.718 175.319 174.600 0.001 0.000 1.112 451 S CA -0.657 57.617 58.200 0.122 0.000 1.043 451 S CB 1.335 64.697 63.200 0.271 0.000 1.054 451 S HN 0.296 nan 8.310 nan 0.000 0.516 452 Q N 1.930 121.621 119.800 -0.182 0.000 2.220 452 Q HA 0.243 4.582 4.340 -0.001 0.000 0.205 452 Q C -1.161 174.577 176.000 -0.437 0.000 0.865 452 Q CA -0.172 55.421 55.803 -0.350 0.000 0.960 452 Q CB 0.014 28.471 28.738 -0.469 0.000 1.097 452 Q HN 0.630 nan 8.270 nan 0.000 0.493 453 Y N 0.542 120.892 120.300 0.083 0.000 2.468 453 Y HA 0.533 5.083 4.550 -0.001 0.000 0.342 453 Y C -0.830 175.103 175.900 0.055 0.000 1.021 453 Y CA -1.798 56.301 58.100 -0.002 0.000 1.079 453 Y CB 1.813 40.199 38.460 -0.123 0.000 1.226 453 Y HN 0.070 nan 8.280 nan 0.000 0.460 454 L N 3.739 125.059 121.223 0.160 0.000 2.316 454 L HA 0.529 4.868 4.340 -0.001 0.000 0.280 454 L C -1.881 175.165 176.870 0.294 0.000 1.006 454 L CA -0.813 54.174 54.840 0.246 0.000 0.836 454 L CB 0.128 42.261 42.059 0.123 0.000 1.221 454 L HN 0.450 nan 8.230 nan 0.000 0.418 455 Y N 4.109 124.648 120.300 0.398 0.000 2.320 455 Y HA 0.651 5.201 4.550 -0.001 0.000 0.334 455 Y C -0.101 176.002 175.900 0.338 0.000 1.055 455 Y CA -0.721 57.604 58.100 0.374 0.000 1.143 455 Y CB 1.732 40.487 38.460 0.493 0.000 1.193 455 Y HN 0.266 nan 8.280 nan 0.000 0.477 456 V N 3.782 123.922 119.914 0.378 0.000 2.482 456 V HA 0.251 4.370 4.120 -0.001 0.000 0.295 456 V C -0.654 175.544 176.094 0.172 0.000 1.026 456 V CA -1.112 61.353 62.300 0.275 0.000 0.856 456 V CB 1.380 33.348 31.823 0.242 0.000 1.001 456 V HN 0.813 nan 8.190 nan 0.000 0.424 457 D N 3.965 124.490 120.400 0.209 0.000 2.433 457 D HA 0.662 5.302 4.640 -0.001 0.000 0.255 457 D C 0.288 176.629 176.300 0.069 0.000 1.226 457 D CA -0.381 53.701 54.000 0.137 0.000 1.015 457 D CB 1.616 42.557 40.800 0.235 0.000 1.091 457 D HN 0.705 nan 8.370 nan 0.000 0.527 458 A N -0.495 122.348 122.820 0.040 0.000 2.897 458 A HA 0.303 4.623 4.320 -0.001 0.000 0.230 458 A C 1.051 178.645 177.584 0.017 0.000 0.896 458 A CA -0.433 51.610 52.037 0.011 0.000 1.114 458 A CB -0.607 18.380 19.000 -0.023 0.000 1.230 458 A HN 0.462 nan 8.150 nan 0.000 0.481 459 T N 0.734 115.322 114.554 0.058 0.000 2.653 459 T HA -0.186 4.163 4.350 -0.001 0.000 0.268 459 T C 1.428 176.148 174.700 0.034 0.000 1.035 459 T CA 1.918 64.069 62.100 0.086 0.000 1.154 459 T CB -0.298 68.679 68.868 0.181 0.000 0.862 459 T HN 0.484 nan 8.240 nan 0.000 0.441 460 L N 0.688 121.916 121.223 0.008 0.000 2.611 460 L HA 0.217 4.556 4.340 -0.001 0.000 0.229 460 L C 1.057 177.909 176.870 -0.030 0.000 1.137 460 L CA -0.367 54.462 54.840 -0.017 0.000 0.901 460 L CB -0.433 41.611 42.059 -0.024 0.000 1.098 460 L HN 0.228 nan 8.230 nan 0.000 0.456 461 N N 2.108 120.792 118.700 -0.026 0.000 2.454 461 N HA 0.015 4.755 4.740 -0.001 0.000 0.254 461 N C -1.539 173.948 175.510 -0.039 0.000 1.228 461 N CA -0.866 52.167 53.050 -0.029 0.000 0.900 461 N CB 1.592 40.063 38.487 -0.026 0.000 1.089 461 N HN -0.074 nan 8.380 nan 0.000 0.449 462 P HA 0.003 nan 4.420 nan 0.000 0.225 462 P C -0.429 176.844 177.300 -0.044 0.000 1.156 462 P CA 0.990 64.064 63.100 -0.044 0.000 0.787 462 P CB 0.310 31.986 31.700 -0.040 0.000 0.802 463 E N 0.056 120.233 120.200 -0.039 0.000 2.180 463 E HA 0.267 4.616 4.350 -0.001 0.000 0.283 463 E C 1.218 177.790 176.600 -0.046 0.000 1.061 463 E CA -0.218 56.159 56.400 -0.039 0.000 0.861 463 E CB 1.090 30.771 29.700 -0.031 0.000 1.056 463 E HN -0.000 nan 8.360 nan 0.000 0.407 464 A N 3.800 126.590 122.820 -0.050 0.000 1.917 464 A HA -0.271 4.048 4.320 -0.001 0.000 0.219 464 A C 1.985 179.533 177.584 -0.061 0.000 1.182 464 A CA 1.917 53.920 52.037 -0.057 0.000 0.633 464 A CB -0.240 18.727 19.000 -0.055 0.000 0.819 464 A HN 0.550 nan 8.150 nan 0.000 0.448 465 E N 0.064 120.230 120.200 -0.058 0.000 2.118 465 E HA -0.144 4.205 4.350 -0.001 0.000 0.195 465 E C 1.661 178.217 176.600 -0.073 0.000 0.992 465 E CA 1.556 57.916 56.400 -0.067 0.000 0.804 465 E CB -0.298 29.369 29.700 -0.055 0.000 0.741 465 E HN 0.693 nan 8.360 nan 0.000 0.458 466 I N -0.078 120.457 120.570 -0.058 0.000 2.480 466 I HA -0.158 4.011 4.170 -0.001 0.000 0.251 466 I C 2.279 178.359 176.117 -0.062 0.000 1.124 466 I CA 0.964 62.230 61.300 -0.056 0.000 1.444 466 I CB -0.305 37.673 38.000 -0.036 0.000 1.098 466 I HN 0.136 nan 8.210 nan 0.000 0.428 467 S N 0.774 116.441 115.700 -0.055 0.000 2.423 467 S HA -0.063 4.406 4.470 -0.001 0.000 0.231 467 S C 1.824 176.394 174.600 -0.050 0.000 1.014 467 S CA 1.039 59.212 58.200 -0.045 0.000 0.965 467 S CB -0.702 62.469 63.200 -0.048 0.000 0.785 467 S HN 0.455 nan 8.310 nan 0.000 0.495 468 G N 0.137 108.891 108.800 -0.076 0.000 3.434 468 G HA2 0.527 4.487 3.960 -0.001 0.000 0.258 468 G HA3 0.527 4.487 3.960 -0.001 0.000 0.258 468 G C -0.097 174.709 174.900 -0.157 0.000 1.128 468 G CA -0.315 44.728 45.100 -0.095 0.000 0.792 468 G HN 0.460 nan 8.290 nan 0.000 0.539 469 S N -1.391 114.209 115.700 -0.165 0.000 2.667 469 S HA 0.751 5.220 4.470 -0.001 0.000 0.292 469 S C -1.003 173.453 174.600 -0.239 0.000 1.126 469 S CA -0.526 57.532 58.200 -0.237 0.000 0.881 469 S CB 2.633 65.711 63.200 -0.203 0.000 1.132 469 S HN -0.021 nan 8.310 nan 0.000 0.492 470 V N 1.037 120.770 119.914 -0.302 0.000 2.709 470 V HA 0.769 4.889 4.120 -0.001 0.000 0.308 470 V C -0.274 175.699 176.094 -0.200 0.000 1.062 470 V CA -0.848 61.293 62.300 -0.265 0.000 0.901 470 V CB 1.739 33.273 31.823 -0.482 0.000 1.003 470 V HN 1.040 nan 8.190 nan 0.000 0.425 471 A N 3.814 126.520 122.820 -0.189 0.000 2.309 471 A HA 0.803 5.122 4.320 -0.001 0.000 0.298 471 A C -0.630 176.814 177.584 -0.234 0.000 1.165 471 A CA -0.387 51.460 52.037 -0.317 0.000 0.821 471 A CB 0.924 19.476 19.000 -0.747 0.000 1.102 471 A HN 0.820 nan 8.150 nan 0.000 0.500 472 V N 2.814 122.550 119.914 -0.297 0.000 2.443 472 V HA 0.424 4.543 4.120 -0.001 0.000 0.293 472 V C -1.016 174.901 176.094 -0.295 0.000 1.021 472 V CA -0.275 61.830 62.300 -0.326 0.000 0.848 472 V CB 0.684 32.222 31.823 -0.474 0.000 0.998 472 V HN 0.707 nan 8.190 nan 0.000 0.424 473 F N 1.982 121.943 119.950 0.019 0.000 2.422 473 F HA 0.476 5.003 4.527 -0.001 0.000 0.333 473 F C 0.519 176.387 175.800 0.114 0.000 1.095 473 F CA -0.594 57.456 58.000 0.083 0.000 1.038 473 F CB 1.215 40.273 39.000 0.097 0.000 1.156 473 F HN 0.417 nan 8.300 nan 0.000 0.483 474 D N 3.262 123.836 120.400 0.290 0.000 2.380 474 D HA 0.230 4.869 4.640 -0.001 0.000 0.230 474 D C 1.098 177.407 176.300 0.014 0.000 1.154 474 D CA 0.101 54.227 54.000 0.209 0.000 0.859 474 D CB 0.568 41.488 40.800 0.199 0.000 1.045 474 D HN 0.497 nan 8.370 nan 0.000 0.495 475 I N 3.133 123.637 120.570 -0.111 0.000 2.208 475 I HA -0.276 3.893 4.170 -0.001 0.000 0.245 475 I C 2.233 178.248 176.117 -0.170 0.000 1.097 475 I CA 0.953 62.119 61.300 -0.223 0.000 1.363 475 I CB 0.005 37.780 38.000 -0.374 0.000 1.051 475 I HN 0.338 nan 8.210 nan 0.000 0.413 476 K N 0.691 121.005 120.400 -0.143 0.000 2.211 476 K HA -0.123 4.197 4.320 -0.001 0.000 0.204 476 K C 1.951 178.495 176.600 -0.093 0.000 1.047 476 K CA 1.366 57.586 56.287 -0.111 0.000 0.935 476 K CB -0.153 32.287 32.500 -0.100 0.000 0.728 476 K HN 0.348 nan 8.250 nan 0.000 0.452 477 A N 0.521 123.297 122.820 -0.075 0.000 2.218 477 A HA 0.110 4.429 4.320 -0.001 0.000 0.209 477 A C 0.729 178.265 177.584 -0.080 0.000 1.168 477 A CA -0.028 51.977 52.037 -0.054 0.000 0.804 477 A CB -0.142 18.849 19.000 -0.014 0.000 0.834 477 A HN 0.137 nan 8.150 nan 0.000 0.482 478 M N 0.891 120.409 119.600 -0.138 0.000 2.219 478 M HA 0.100 4.580 4.480 -0.001 0.000 0.353 478 M C 1.281 177.475 176.300 -0.177 0.000 1.304 478 M CA 0.621 55.816 55.300 -0.176 0.000 1.115 478 M CB 0.815 33.233 32.600 -0.302 0.000 1.664 478 M HN 0.390 nan 8.290 nan 0.000 0.459 479 T N -2.121 112.392 114.554 -0.069 0.000 2.985 479 T HA 0.246 4.595 4.350 -0.001 0.000 0.254 479 T C 1.178 175.844 174.700 -0.056 0.000 1.021 479 T CA 0.254 62.321 62.100 -0.056 0.000 0.957 479 T CB 0.111 68.956 68.868 -0.038 0.000 1.047 479 T HN 0.982 nan 8.240 nan 0.000 0.511 480 G N 3.703 112.512 108.800 0.015 0.000 2.395 480 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.300 480 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.300 480 G C 0.227 175.094 174.900 -0.055 0.000 0.998 480 G CA 0.499 45.518 45.100 -0.135 0.000 1.046 480 G HN 0.790 nan 8.290 nan 0.000 0.513 481 D N -1.390 119.028 120.400 0.030 0.000 2.395 481 D HA 0.373 5.013 4.640 -0.001 0.000 0.213 481 D C 1.723 178.072 176.300 0.081 0.000 1.110 481 D CA 0.374 54.399 54.000 0.042 0.000 0.835 481 D CB -0.262 40.549 40.800 0.018 0.000 0.965 481 D HN 1.430 nan 8.370 nan 0.000 0.505 482 G N 0.583 109.459 108.800 0.126 0.000 2.284 482 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.230 482 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.230 482 G C 0.509 175.477 174.900 0.113 0.000 1.021 482 G CA 0.307 45.484 45.100 0.130 0.000 0.619 482 G HN 0.858 nan 8.290 nan 0.000 0.510 483 S N 0.893 116.642 115.700 0.083 0.000 2.584 483 S HA 0.495 4.964 4.470 -0.001 0.000 0.270 483 S C -0.363 174.282 174.600 0.075 0.000 1.346 483 S CA 0.083 58.324 58.200 0.068 0.000 1.018 483 S CB 1.362 64.586 63.200 0.040 0.000 0.899 483 S HN 0.226 nan 8.310 nan 0.000 0.542 484 D N 2.859 123.309 120.400 0.084 0.000 2.295 484 D HA 0.400 5.040 4.640 -0.001 0.000 0.248 484 D C -2.261 174.056 176.300 0.028 0.000 1.154 484 D CA -1.227 52.833 54.000 0.099 0.000 0.857 484 D CB 0.672 41.588 40.800 0.193 0.000 1.117 484 D HN 0.408 nan 8.370 nan 0.000 0.468 485 P HA 0.067 nan 4.420 nan 0.000 0.268 485 P C 0.021 177.432 177.300 0.185 0.000 1.204 485 P CA -0.050 63.018 63.100 -0.054 0.000 0.768 485 P CB 0.868 32.391 31.700 -0.294 0.000 0.842 486 E N 1.653 121.904 120.200 0.084 0.000 2.374 486 E HA 0.373 4.723 4.350 -0.001 0.000 0.260 486 E C -0.313 176.261 176.600 -0.044 0.000 1.101 486 E CA -0.195 56.180 56.400 -0.041 0.000 0.907 486 E CB 0.309 29.935 29.700 -0.123 0.000 1.014 486 E HN 0.431 nan 8.360 nan 0.000 0.427 487 F N -1.194 118.590 119.950 -0.277 0.000 2.603 487 F HA 0.552 5.079 4.527 -0.001 0.000 0.317 487 F C -0.509 175.093 175.800 -0.329 0.000 1.066 487 F CA -1.420 56.253 58.000 -0.545 0.000 0.941 487 F CB 0.980 39.303 39.000 -1.130 0.000 1.291 487 F HN 0.098 nan 8.300 nan 0.000 0.472 488 K N 0.701 121.039 120.400 -0.104 0.000 2.130 488 K HA 0.532 4.851 4.320 -0.001 0.000 0.268 488 K C -1.048 175.545 176.600 -0.013 0.000 0.983 488 K CA -0.458 55.765 56.287 -0.106 0.000 0.893 488 K CB 1.442 33.859 32.500 -0.138 0.000 1.066 488 K HN 0.880 nan 8.250 nan 0.000 0.450 489 T N 4.828 119.361 114.554 -0.034 0.000 2.749 489 T HA 0.317 4.667 4.350 -0.001 0.000 0.287 489 T C -0.257 174.326 174.700 -0.196 0.000 0.970 489 T CA -0.598 61.467 62.100 -0.057 0.000 0.980 489 T CB 0.281 69.136 68.868 -0.021 0.000 0.924 489 T HN 0.388 nan 8.240 nan 0.000 0.456 490 L N 6.322 127.371 121.223 -0.290 0.000 2.264 490 L HA 0.371 4.711 4.340 -0.001 0.000 0.289 490 L C -1.846 174.593 176.870 -0.717 0.000 1.044 490 L CA -2.248 52.260 54.840 -0.554 0.000 0.807 490 L CB 1.157 42.933 42.059 -0.473 0.000 1.192 490 L HN 0.357 nan 8.230 nan 0.000 0.425 491 P HA 0.106 nan 4.420 nan 0.000 0.219 491 P C 0.947 177.726 177.300 -0.868 0.000 1.832 491 P CA -0.333 62.304 63.100 -0.772 0.000 1.014 491 P CB 0.309 31.626 31.700 -0.638 0.000 1.939 492 I N 1.582 121.776 120.570 -0.626 0.000 2.127 492 I HA -0.250 3.919 4.170 -0.001 0.000 0.241 492 I C 2.359 178.398 176.117 -0.129 0.000 1.075 492 I CA 1.695 62.798 61.300 -0.328 0.000 1.334 492 I CB -1.964 35.867 38.000 -0.281 0.000 1.040 492 I HN 0.158 nan 8.210 nan 0.000 0.405 493 A N 0.249 122.985 122.820 -0.139 0.000 1.902 493 A HA -0.243 4.077 4.320 -0.001 0.000 0.217 493 A C 2.394 179.951 177.584 -0.045 0.000 1.181 493 A CA 1.820 53.818 52.037 -0.066 0.000 0.623 493 A CB -0.708 18.251 19.000 -0.069 0.000 0.818 493 A HN 0.556 nan 8.150 nan 0.000 0.443 494 E N -1.201 118.944 120.200 -0.093 0.000 2.077 494 E HA -0.219 4.131 4.350 -0.001 0.000 0.193 494 E C 1.723 178.377 176.600 0.091 0.000 0.989 494 E CA 1.239 57.615 56.400 -0.040 0.000 0.800 494 E CB -0.232 29.408 29.700 -0.101 0.000 0.746 494 E HN 0.757 nan 8.360 nan 0.000 0.452 495 W N 0.472 121.726 121.300 -0.077 0.000 2.350 495 W HA -0.053 4.606 4.660 -0.001 0.000 0.289 495 W C 2.329 178.787 176.519 -0.102 0.000 1.215 495 W CA 1.125 58.417 57.345 -0.088 0.000 1.236 495 W CB -0.958 28.444 29.460 -0.096 0.000 1.130 495 W HN 0.206 nan 8.180 nan 0.000 0.541 496 A N -0.469 122.427 122.820 0.127 0.000 2.167 496 A HA 0.324 4.643 4.320 -0.001 0.000 0.214 496 A C 1.857 179.440 177.584 -0.002 0.000 1.151 496 A CA 1.388 53.438 52.037 0.023 0.000 0.735 496 A CB -0.863 18.141 19.000 0.006 0.000 0.802 496 A HN 0.588 nan 8.150 nan 0.000 0.467 497 G N -0.924 107.887 108.800 0.018 0.000 2.176 497 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.252 497 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.252 497 G C -0.052 174.843 174.900 -0.009 0.000 1.024 497 G CA 0.412 45.512 45.100 0.000 0.000 0.755 497 G HN 0.518 nan 8.290 nan 0.000 0.507 498 I N 0.980 121.545 120.570 -0.009 0.000 2.355 498 I HA 0.458 4.628 4.170 -0.001 0.000 0.288 498 I C 1.265 177.369 176.117 -0.021 0.000 0.999 498 I CA -0.012 61.280 61.300 -0.014 0.000 1.163 498 I CB 1.816 39.810 38.000 -0.009 0.000 1.316 498 I HN 0.226 nan 8.210 nan 0.000 0.454 499 T N -0.253 114.288 114.554 -0.023 0.000 2.980 499 T HA 0.145 4.494 4.350 -0.001 0.000 0.252 499 T C 0.581 175.263 174.700 -0.030 0.000 0.962 499 T CA -0.267 61.815 62.100 -0.029 0.000 0.932 499 T CB 0.123 68.975 68.868 -0.027 0.000 1.188 499 T HN 0.487 nan 8.240 nan 0.000 0.500 500 E N 1.542 121.728 120.200 -0.025 0.000 2.413 500 E HA 0.412 4.761 4.350 -0.001 0.000 0.263 500 E C 1.011 177.591 176.600 -0.032 0.000 1.015 500 E CA 0.889 57.274 56.400 -0.025 0.000 0.916 500 E CB -0.025 29.664 29.700 -0.018 0.000 0.947 500 E HN 0.641 nan 8.360 nan 0.000 0.440 501 G N 3.133 111.910 108.800 -0.037 0.000 2.645 501 G HA2 -0.353 3.606 3.960 -0.001 0.000 0.246 501 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.246 501 G C -0.406 174.453 174.900 -0.068 0.000 1.322 501 G CA 0.227 45.296 45.100 -0.051 0.000 0.898 501 G HN 0.651 nan 8.290 nan 0.000 0.573 502 Q N 1.075 120.816 119.800 -0.098 0.000 2.509 502 Q HA 0.502 4.842 4.340 -0.001 0.000 0.236 502 Q C -2.313 173.605 176.000 -0.137 0.000 1.073 502 Q CA -1.942 53.791 55.803 -0.117 0.000 0.867 502 Q CB 1.184 29.837 28.738 -0.142 0.000 1.181 502 Q HN 0.433 nan 8.270 nan 0.000 0.526 503 P HA 0.105 nan 4.420 nan 0.000 0.275 503 P C -1.096 176.172 177.300 -0.053 0.000 1.276 503 P CA 0.129 63.195 63.100 -0.057 0.000 0.782 503 P CB 0.453 32.136 31.700 -0.029 0.000 0.851 504 R N 2.518 122.989 120.500 -0.048 0.000 2.265 504 R HA 0.391 4.730 4.340 -0.001 0.000 0.328 504 R C -0.394 175.994 176.300 0.147 0.000 0.969 504 R CA -1.043 55.060 56.100 0.005 0.000 0.832 504 R CB 1.339 31.596 30.300 -0.071 0.000 1.139 504 R HN 0.255 nan 8.270 nan 0.000 0.457 505 V N 4.414 124.387 119.914 0.098 0.000 2.521 505 V HA 0.150 4.270 4.120 -0.001 0.000 0.286 505 V C 0.109 176.332 176.094 0.215 0.000 1.034 505 V CA -0.002 62.373 62.300 0.126 0.000 1.045 505 V CB 1.291 33.115 31.823 0.002 0.000 0.974 505 V HN 0.458 nan 8.190 nan 0.000 0.480 506 V N 5.783 125.868 119.914 0.285 0.000 2.888 506 V HA 0.535 4.654 4.120 -0.001 0.000 0.309 506 V C -0.433 175.821 176.094 0.268 0.000 1.114 506 V CA -0.377 62.120 62.300 0.329 0.000 0.940 506 V CB 1.735 33.773 31.823 0.358 0.000 1.021 506 V HN 1.078 nan 8.190 nan 0.000 0.426 507 Q N 3.260 123.235 119.800 0.290 0.000 2.779 507 Q HA -0.129 4.211 4.340 -0.001 0.000 0.160 507 Q C -0.072 175.848 176.000 -0.134 0.000 1.477 507 Q CA 0.765 56.554 55.803 -0.024 0.000 0.547 507 Q CB -0.855 27.509 28.738 -0.623 0.000 0.695 507 Q HN 1.469 nan 8.270 nan 0.000 0.316 508 G N 3.134 111.832 108.800 -0.169 0.000 2.442 508 G HA2 0.371 4.330 3.960 -0.001 0.000 0.249 508 G HA3 0.371 4.330 3.960 -0.001 0.000 0.249 508 G C -0.575 174.056 174.900 -0.447 0.000 1.263 508 G CA 0.195 44.820 45.100 -0.792 0.000 0.846 508 G HN 0.555 nan 8.290 nan 0.000 0.555 509 E N 0.967 120.880 120.200 -0.478 0.000 2.278 509 E HA 0.517 4.867 4.350 -0.001 0.000 0.272 509 E C -1.330 175.186 176.600 -0.140 0.000 0.890 509 E CA -0.710 55.568 56.400 -0.202 0.000 0.770 509 E CB 0.940 30.511 29.700 -0.214 0.000 1.212 509 E HN 0.240 nan 8.360 nan 0.000 0.415 510 F N 2.830 122.753 119.950 -0.044 0.000 2.370 510 F HA 0.359 4.886 4.527 -0.001 0.000 0.324 510 F C 1.277 177.070 175.800 -0.011 0.000 1.116 510 F CA -0.421 57.582 58.000 0.005 0.000 1.123 510 F CB 0.644 39.645 39.000 0.000 0.000 1.238 510 F HN 0.531 nan 8.300 nan 0.000 0.536 511 N N 1.163 120.050 118.700 0.312 0.000 2.327 511 N HA 0.047 4.787 4.740 -0.001 0.000 0.257 511 N C 0.666 176.214 175.510 0.063 0.000 1.281 511 N CA -0.462 52.722 53.050 0.224 0.000 0.942 511 N CB 0.245 38.940 38.487 0.347 0.000 1.199 511 N HN 0.683 nan 8.380 nan 0.000 0.532 512 K N -0.828 119.587 120.400 0.024 0.000 2.103 512 K HA -0.148 4.172 4.320 -0.001 0.000 0.207 512 K C 0.157 176.736 176.600 -0.036 0.000 1.048 512 K CA 1.544 57.833 56.287 0.003 0.000 0.930 512 K CB -0.077 32.370 32.500 -0.089 0.000 0.716 512 K HN 0.475 nan 8.250 nan 0.000 0.444 513 D N -0.653 119.721 120.400 -0.043 0.000 2.347 513 D HA 0.021 4.661 4.640 -0.001 0.000 0.213 513 D C 0.862 177.068 176.300 -0.157 0.000 0.985 513 D CA 1.071 55.042 54.000 -0.048 0.000 0.879 513 D CB 0.341 41.141 40.800 0.001 0.000 0.919 513 D HN 0.515 nan 8.370 nan 0.000 0.526 514 G N 1.274 109.853 108.800 -0.368 0.000 2.198 514 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.257 514 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.257 514 G C 1.027 175.956 174.900 0.049 0.000 1.042 514 G CA 1.091 45.815 45.100 -0.627 0.000 0.791 514 G HN 0.422 nan 8.290 nan 0.000 0.502 515 T N -3.693 110.952 114.554 0.151 0.000 3.001 515 T HA 0.486 4.835 4.350 -0.001 0.000 0.251 515 T C 0.506 175.356 174.700 0.249 0.000 1.040 515 T CA 0.821 63.043 62.100 0.203 0.000 0.985 515 T CB 0.857 69.808 68.868 0.138 0.000 1.011 515 T HN 0.516 nan 8.240 nan 0.000 0.509 516 E N 0.117 120.477 120.200 0.267 0.000 2.367 516 E HA 0.657 5.006 4.350 -0.001 0.000 0.273 516 E C -1.966 174.662 176.600 0.047 0.000 0.903 516 E CA -1.010 55.513 56.400 0.206 0.000 0.764 516 E CB 3.300 33.172 29.700 0.287 0.000 1.252 516 E HN 0.052 nan 8.360 nan 0.000 0.446 517 V N 2.511 122.335 119.914 -0.149 0.000 2.588 517 V HA 0.503 4.623 4.120 -0.001 0.000 0.304 517 V C -1.759 174.210 176.094 -0.208 0.000 1.042 517 V CA -0.498 61.461 62.300 -0.569 0.000 0.877 517 V CB 0.848 31.862 31.823 -1.348 0.000 0.996 517 V HN 0.585 nan 8.190 nan 0.000 0.425 518 W N 5.661 126.602 121.300 -0.598 0.000 2.551 518 W HA 0.752 5.412 4.660 -0.001 0.000 0.330 518 W C -0.671 175.448 176.519 -0.666 0.000 1.063 518 W CA -1.074 56.001 57.345 -0.450 0.000 1.222 518 W CB 1.276 30.513 29.460 -0.372 0.000 1.349 518 W HN 0.380 nan 8.180 nan 0.000 0.536 519 F N 1.058 121.035 119.950 0.046 0.000 2.551 519 F HA 0.450 4.977 4.527 -0.001 0.000 0.316 519 F C 0.386 176.196 175.800 0.018 0.000 1.089 519 F CA -1.061 56.947 58.000 0.014 0.000 0.915 519 F CB 1.724 40.724 39.000 0.000 0.000 1.186 519 F HN -0.024 nan 8.300 nan 0.000 0.456 520 S N 1.547 117.367 115.700 0.200 0.000 2.499 520 S HA 0.456 4.925 4.470 -0.001 0.000 0.279 520 S C -0.432 174.275 174.600 0.179 0.000 1.219 520 S CA -0.709 57.575 58.200 0.139 0.000 1.062 520 S CB 1.302 64.541 63.200 0.064 0.000 0.978 520 S HN 0.335 nan 8.310 nan 0.000 0.489 521 V N 4.537 124.536 119.914 0.142 0.000 2.247 521 V HA 0.161 4.280 4.120 -0.001 0.000 0.262 521 V C -0.575 175.642 176.094 0.206 0.000 1.096 521 V CA -0.663 61.720 62.300 0.139 0.000 0.895 521 V CB -0.432 31.433 31.823 0.070 0.000 1.141 521 V HN 0.898 nan 8.190 nan 0.000 0.478 522 W N 6.372 127.685 121.300 0.023 0.000 2.387 522 W HA 0.462 5.122 4.660 -0.001 0.000 0.310 522 W C -0.125 176.404 176.519 0.016 0.000 1.181 522 W CA -0.621 56.737 57.345 0.022 0.000 1.333 522 W CB 0.359 29.838 29.460 0.033 0.000 1.286 522 W HN 0.434 nan 8.180 nan 0.000 0.455 523 N N 2.703 121.491 118.700 0.147 0.000 2.531 523 N HA 0.594 5.334 4.740 -0.001 0.000 0.290 523 N C 0.056 175.563 175.510 -0.005 0.000 1.257 523 N CA -0.326 52.703 53.050 -0.035 0.000 0.863 523 N CB 1.598 40.092 38.487 0.011 0.000 1.320 523 N HN 0.510 nan 8.380 nan 0.000 0.538 524 G N -0.067 108.704 108.800 -0.048 0.000 2.664 524 G HA2 0.030 3.989 3.960 -0.001 0.000 0.242 524 G HA3 0.030 3.989 3.960 -0.001 0.000 0.242 524 G C 1.026 175.973 174.900 0.078 0.000 1.225 524 G CA 0.026 45.132 45.100 0.010 0.000 0.849 524 G HN 0.745 nan 8.290 nan 0.000 0.581 525 K N -0.683 119.780 120.400 0.104 0.000 2.209 525 K HA -0.063 4.256 4.320 -0.001 0.000 0.204 525 K C 0.420 177.065 176.600 0.075 0.000 1.048 525 K CA 1.667 58.018 56.287 0.107 0.000 0.940 525 K CB 0.219 32.792 32.500 0.121 0.000 0.729 525 K HN 0.305 nan 8.250 nan 0.000 0.451 526 D N 0.666 121.099 120.400 0.055 0.000 2.388 526 D HA 0.094 4.733 4.640 -0.001 0.000 0.221 526 D C 0.013 176.330 176.300 0.029 0.000 1.133 526 D CA 0.207 54.231 54.000 0.040 0.000 0.831 526 D CB 0.484 41.305 40.800 0.034 0.000 0.962 526 D HN 0.267 nan 8.370 nan 0.000 0.502 527 Q N 0.189 120.008 119.800 0.031 0.000 2.418 527 Q HA 0.315 4.655 4.340 -0.001 0.000 0.276 527 Q C -0.293 175.723 176.000 0.027 0.000 1.081 527 Q CA -0.594 55.221 55.803 0.019 0.000 0.864 527 Q CB 1.973 30.714 28.738 0.004 0.000 1.384 527 Q HN 0.063 nan 8.270 nan 0.000 0.467 528 E N 0.476 120.687 120.200 0.017 0.000 2.200 528 E HA 0.338 4.687 4.350 -0.001 0.000 0.283 528 E C -0.898 175.719 176.600 0.028 0.000 1.015 528 E CA 0.026 56.437 56.400 0.019 0.000 0.819 528 E CB 0.834 30.537 29.700 0.005 0.000 1.081 528 E HN 0.401 nan 8.360 nan 0.000 0.397 529 S N 1.542 117.268 115.700 0.043 0.000 2.766 529 S HA 0.936 5.406 4.470 -0.001 0.000 0.307 529 S C -0.984 173.634 174.600 0.031 0.000 1.121 529 S CA -0.450 57.786 58.200 0.061 0.000 0.980 529 S CB 1.805 65.072 63.200 0.111 0.000 1.159 529 S HN 0.715 nan 8.310 nan 0.000 0.546 530 A N 0.330 123.169 122.820 0.032 0.000 2.586 530 A HA 0.736 5.055 4.320 -0.001 0.000 0.290 530 A C -2.155 175.423 177.584 -0.010 0.000 1.086 530 A CA -0.723 51.306 52.037 -0.012 0.000 0.665 530 A CB 0.672 19.647 19.000 -0.041 0.000 1.279 530 A HN 0.612 nan 8.150 nan 0.000 0.423 531 L N 0.597 121.776 121.223 -0.073 0.000 2.346 531 L HA 0.670 5.009 4.340 -0.001 0.000 0.276 531 L C -0.931 175.816 176.870 -0.204 0.000 1.006 531 L CA -1.087 53.693 54.840 -0.100 0.000 0.817 531 L CB 1.808 43.788 42.059 -0.131 0.000 1.272 531 L HN 0.409 nan 8.230 nan 0.000 0.421 532 V N 3.789 123.628 119.914 -0.126 0.000 2.384 532 V HA 0.324 4.443 4.120 -0.001 0.000 0.287 532 V C 0.018 175.985 176.094 -0.212 0.000 1.020 532 V CA -0.615 61.608 62.300 -0.128 0.000 0.850 532 V CB 2.082 33.948 31.823 0.072 0.000 0.987 532 V HN 0.433 nan 8.190 nan 0.000 0.436 533 V N 6.313 125.967 119.914 -0.435 0.000 2.364 533 V HA 0.383 4.503 4.120 -0.001 0.000 0.272 533 V C 0.052 176.019 176.094 -0.213 0.000 1.036 533 V CA -0.460 61.530 62.300 -0.517 0.000 0.880 533 V CB 1.566 32.834 31.823 -0.925 0.000 0.991 533 V HN 0.603 nan 8.190 nan 0.000 0.460 534 V N 3.737 123.631 119.914 -0.034 0.000 2.472 534 V HA 0.318 4.438 4.120 -0.001 0.000 0.290 534 V C 0.140 176.273 176.094 0.064 0.000 1.037 534 V CA -0.645 61.700 62.300 0.073 0.000 0.908 534 V CB 1.890 33.880 31.823 0.280 0.000 0.985 534 V HN 0.864 nan 8.190 nan 0.000 0.454 535 D N 2.973 123.407 120.400 0.057 0.000 2.338 535 D HA 0.022 4.662 4.640 -0.001 0.000 0.255 535 D C 0.827 177.242 176.300 0.192 0.000 1.237 535 D CA 0.079 54.139 54.000 0.100 0.000 0.883 535 D CB 1.319 42.149 40.800 0.050 0.000 1.087 535 D HN 0.752 nan 8.370 nan 0.000 0.485 536 D N 3.439 123.997 120.400 0.263 0.000 2.219 536 D HA -0.170 4.470 4.640 -0.001 0.000 0.205 536 D C 1.768 178.337 176.300 0.449 0.000 0.970 536 D CA 1.078 55.339 54.000 0.435 0.000 0.851 536 D CB 0.247 41.369 40.800 0.537 0.000 0.943 536 D HN 0.399 nan 8.370 nan 0.000 0.488 537 K N -0.803 119.783 120.400 0.309 0.000 2.057 537 K HA -0.105 4.214 4.320 -0.001 0.000 0.206 537 K C 1.729 178.485 176.600 0.260 0.000 1.050 537 K CA 1.739 58.192 56.287 0.276 0.000 0.935 537 K CB -0.088 32.516 32.500 0.174 0.000 0.715 537 K HN 0.284 nan 8.250 nan 0.000 0.439 538 T N -1.993 112.666 114.554 0.176 0.000 3.022 538 T HA 0.192 4.542 4.350 -0.001 0.000 0.250 538 T C 0.910 175.658 174.700 0.079 0.000 1.060 538 T CA 0.088 62.255 62.100 0.113 0.000 1.013 538 T CB -0.107 68.798 68.868 0.063 0.000 0.982 538 T HN 0.318 nan 8.240 nan 0.000 0.508 539 L N 0.472 121.753 121.223 0.097 0.000 3.865 539 L HA -0.170 4.170 4.340 -0.001 0.000 0.408 539 L C -0.289 176.681 176.870 0.165 0.000 1.209 539 L CA 0.438 55.336 54.840 0.096 0.000 0.940 539 L CB -2.098 39.914 42.059 -0.079 0.000 1.971 539 L HN 0.509 nan 8.230 nan 0.000 0.899 540 E N 0.004 120.236 120.200 0.052 0.000 2.235 540 E HA 0.555 4.904 4.350 -0.001 0.000 0.265 540 E C -0.294 176.058 176.600 -0.413 0.000 0.940 540 E CA -1.299 55.014 56.400 -0.146 0.000 0.819 540 E CB 2.240 31.855 29.700 -0.142 0.000 1.206 540 E HN 0.100 nan 8.360 nan 0.000 0.409 541 L N 2.378 122.969 121.223 -1.053 0.000 2.559 541 L HA -0.020 4.319 4.340 -0.001 0.000 0.274 541 L C 0.712 177.295 176.870 -0.478 0.000 1.205 541 L CA 0.823 55.072 54.840 -0.985 0.000 0.907 541 L CB 0.448 41.655 42.059 -1.420 0.000 1.153 541 L HN 0.492 nan 8.230 nan 0.000 0.490 542 K N 3.330 123.533 120.400 -0.328 0.000 2.225 542 K HA 0.157 4.476 4.320 -0.001 0.000 0.204 542 K C -0.465 176.000 176.600 -0.225 0.000 1.047 542 K CA 0.758 56.911 56.287 -0.223 0.000 0.970 542 K CB 0.041 32.445 32.500 -0.159 0.000 0.939 542 K HN 0.828 nan 8.250 nan 0.000 0.472 543 H N -1.123 117.657 119.070 -0.484 0.000 3.085 543 H HA 0.503 5.059 4.556 -0.001 0.000 0.356 543 H C -1.933 173.085 175.328 -0.517 0.000 1.178 543 H CA -0.814 54.903 56.048 -0.553 0.000 1.214 543 H CB 1.659 30.854 29.762 -0.945 0.000 1.881 543 H HN -0.128 nan 8.280 nan 0.000 0.538 544 V N 6.269 125.607 119.914 -0.960 0.000 2.384 544 V HA 0.329 4.449 4.120 -0.001 0.000 0.287 544 V C 0.169 175.810 176.094 -0.755 0.000 1.020 544 V CA -0.581 61.324 62.300 -0.659 0.000 0.850 544 V CB 1.177 32.767 31.823 -0.388 0.000 0.987 544 V HN 0.616 nan 8.190 nan 0.000 0.436 545 I N 5.523 125.818 120.570 -0.458 0.000 2.297 545 I HA 0.432 4.602 4.170 -0.001 0.000 0.291 545 I C 0.133 176.156 176.117 -0.156 0.000 1.033 545 I CA -0.150 60.996 61.300 -0.257 0.000 1.253 545 I CB 0.703 38.581 38.000 -0.203 0.000 1.396 545 I HN 0.522 nan 8.210 nan 0.000 0.476 546 K N 5.219 125.550 120.400 -0.115 0.000 2.371 546 K HA 0.560 4.880 4.320 -0.001 0.000 0.251 546 K C -1.332 175.251 176.600 -0.030 0.000 0.934 546 K CA -0.881 55.366 56.287 -0.067 0.000 0.798 546 K CB 2.623 35.079 32.500 -0.073 0.000 1.204 546 K HN 0.466 nan 8.250 nan 0.000 0.427 547 D N 1.175 121.569 120.400 -0.011 0.000 2.745 547 D HA 0.023 4.662 4.640 -0.001 0.000 0.221 547 D C 0.085 176.393 176.300 0.013 0.000 1.237 547 D CA -0.241 53.762 54.000 0.004 0.000 0.781 547 D CB 1.720 42.528 40.800 0.013 0.000 1.575 547 D HN 0.416 nan 8.370 nan 0.000 0.482 548 E N 1.425 121.634 120.200 0.015 0.000 2.209 548 E HA -0.127 4.223 4.350 -0.001 0.000 0.196 548 E C 1.456 178.073 176.600 0.029 0.000 0.993 548 E CA 0.955 57.367 56.400 0.021 0.000 0.819 548 E CB 0.111 29.822 29.700 0.019 0.000 0.745 548 E HN 0.420 nan 8.360 nan 0.000 0.477 549 R N 0.058 120.576 120.500 0.030 0.000 2.236 549 R HA 0.030 4.370 4.340 -0.001 0.000 0.208 549 R C 0.887 177.211 176.300 0.041 0.000 1.036 549 R CA -0.076 56.046 56.100 0.037 0.000 1.001 549 R CB -0.087 30.235 30.300 0.037 0.000 0.896 549 R HN -0.035 nan 8.270 nan 0.000 0.464 550 L N 2.110 123.356 121.223 0.037 0.000 2.376 550 L HA 0.094 4.434 4.340 -0.001 0.000 0.250 550 L C -0.739 176.162 176.870 0.053 0.000 1.335 550 L CA 0.144 55.009 54.840 0.041 0.000 1.214 550 L CB 0.391 42.469 42.059 0.031 0.000 1.395 550 L HN -0.202 nan 8.230 nan 0.000 0.424 551 V N 2.871 122.819 119.914 0.058 0.000 2.406 551 V HA 0.204 4.323 4.120 -0.001 0.000 0.272 551 V C 0.905 177.053 176.094 0.090 0.000 1.043 551 V CA 0.043 62.390 62.300 0.078 0.000 0.915 551 V CB 0.814 32.683 31.823 0.076 0.000 0.988 551 V HN 0.851 nan 8.190 nan 0.000 0.466 552 T N 4.265 118.913 114.554 0.155 0.000 3.549 552 T HA -0.117 4.232 4.350 -0.001 0.000 0.398 552 T C -1.669 173.043 174.700 0.019 0.000 0.766 552 T CA -0.034 62.211 62.100 0.243 0.000 2.007 552 T CB -1.750 67.295 68.868 0.294 0.000 1.727 552 T HN 0.578 nan 8.240 nan 0.000 0.693 553 P HA 0.226 nan 4.420 nan 0.000 0.271 553 P C 1.005 178.166 177.300 -0.231 0.000 1.226 553 P CA 0.209 63.270 63.100 -0.066 0.000 0.765 553 P CB 1.441 33.151 31.700 0.017 0.000 0.835 554 T N 0.927 115.284 114.554 -0.329 0.000 2.638 554 T HA 0.371 4.720 4.350 -0.001 0.000 0.169 554 T C 0.993 175.506 174.700 -0.312 0.000 0.790 554 T CA 0.076 61.897 62.100 -0.466 0.000 1.151 554 T CB -0.795 67.629 68.868 -0.739 0.000 2.581 554 T HN 0.323 nan 8.240 nan 0.000 0.391 555 G N 2.045 110.664 108.800 -0.302 0.000 2.380 555 G HA2 0.479 4.438 3.960 -0.001 0.000 0.242 555 G HA3 0.479 4.438 3.960 -0.001 0.000 0.242 555 G C -0.951 173.735 174.900 -0.358 0.000 1.298 555 G CA -0.415 44.481 45.100 -0.338 0.000 0.878 555 G HN 0.647 nan 8.290 nan 0.000 0.542 556 K N 0.988 120.977 120.400 -0.685 0.000 2.397 556 K HA 0.471 4.790 4.320 -0.001 0.000 0.253 556 K C -1.554 174.482 176.600 -0.942 0.000 0.932 556 K CA -0.465 55.538 56.287 -0.474 0.000 0.795 556 K CB 2.259 34.657 32.500 -0.170 0.000 1.159 556 K HN 0.360 nan 8.250 nan 0.000 0.424 557 F N 1.629 121.534 119.950 -0.076 0.000 2.539 557 F HA 0.248 4.775 4.527 -0.001 0.000 0.328 557 F C 0.312 175.924 175.800 -0.314 0.000 1.148 557 F CA -0.988 56.922 58.000 -0.151 0.000 0.940 557 F CB 1.419 40.369 39.000 -0.083 0.000 1.194 557 F HN 0.459 nan 8.300 nan 0.000 0.438 558 N N 2.508 120.942 118.700 -0.444 0.000 2.497 558 N HA 0.090 4.830 4.740 -0.001 0.000 0.271 558 N C 0.946 176.319 175.510 -0.228 0.000 1.142 558 N CA -0.012 52.591 53.050 -0.745 0.000 0.965 558 N CB 1.585 39.483 38.487 -0.981 0.000 1.077 558 N HN 0.467 nan 8.380 nan 0.000 0.462 559 V N 4.460 124.282 119.914 -0.153 0.000 2.252 559 V HA -0.277 3.842 4.120 -0.001 0.000 0.249 559 V C 1.808 177.936 176.094 0.057 0.000 1.056 559 V CA 1.767 64.071 62.300 0.006 0.000 1.022 559 V CB -1.068 30.789 31.823 0.057 0.000 0.641 559 V HN 0.749 nan 8.190 nan 0.000 0.445 560 Y N 1.567 121.850 120.300 -0.029 0.000 2.145 560 Y HA -0.203 4.347 4.550 -0.001 0.000 0.286 560 Y C 2.537 178.469 175.900 0.054 0.000 1.145 560 Y CA 2.018 60.133 58.100 0.025 0.000 1.148 560 Y CB -0.263 38.215 38.460 0.030 0.000 0.981 560 Y HN 0.303 nan 8.280 nan 0.000 0.507 561 N N -0.904 117.887 118.700 0.151 0.000 2.309 561 N HA -0.122 4.617 4.740 -0.001 0.000 0.182 561 N C 1.643 177.222 175.510 0.115 0.000 1.018 561 N CA 1.759 54.897 53.050 0.147 0.000 0.876 561 N CB -0.514 38.099 38.487 0.210 0.000 0.972 561 N HN 0.382 nan 8.380 nan 0.000 0.434 562 T N 1.804 116.413 114.554 0.091 0.000 2.894 562 T HA -0.002 4.347 4.350 -0.001 0.000 0.258 562 T C 2.063 176.796 174.700 0.055 0.000 1.043 562 T CA 0.908 63.078 62.100 0.117 0.000 1.141 562 T CB -0.088 68.847 68.868 0.111 0.000 0.873 562 T HN 0.367 nan 8.240 nan 0.000 0.449 563 M N 2.005 121.600 119.600 -0.009 0.000 2.213 563 M HA -0.027 4.453 4.480 -0.001 0.000 0.263 563 M C 2.087 178.353 176.300 -0.057 0.000 1.062 563 M CA 1.900 57.181 55.300 -0.032 0.000 1.105 563 M CB -1.179 31.391 32.600 -0.049 0.000 1.385 563 M HN 0.216 nan 8.290 nan 0.000 0.417 564 T N -3.900 110.567 114.554 -0.144 0.000 3.086 564 T HA 0.141 4.491 4.350 -0.001 0.000 0.250 564 T C -0.030 174.659 174.700 -0.017 0.000 1.074 564 T CA 0.009 62.036 62.100 -0.122 0.000 0.988 564 T CB -0.339 68.316 68.868 -0.355 0.000 0.988 564 T HN 0.458 nan 8.240 nan 0.000 0.530 565 D N 1.323 121.743 120.400 0.035 0.000 2.689 565 D HA -0.109 4.530 4.640 -0.001 0.000 0.237 565 D C -0.719 175.494 176.300 -0.145 0.000 1.148 565 D CA 0.919 54.945 54.000 0.045 0.000 0.656 565 D CB -1.905 38.802 40.800 -0.155 0.000 1.050 565 D HN 0.438 nan 8.370 nan 0.000 0.426 566 T N 1.243 115.796 114.554 -0.002 0.000 2.811 566 T HA 0.498 4.848 4.350 -0.001 0.000 0.309 566 T C -0.016 174.724 174.700 0.068 0.000 1.005 566 T CA -0.442 61.623 62.100 -0.059 0.000 0.955 566 T CB 0.271 69.142 68.868 0.006 0.000 0.970 566 T HN 0.277 nan 8.240 nan 0.000 0.496 567 Y N 0.000 120.372 120.300 0.120 0.000 2.660 567 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 567 Y CA 0.000 58.190 58.100 0.150 0.000 1.940 567 Y CB 0.000 38.586 38.460 0.211 0.000 1.050 567 Y HN 0.000 nan 8.280 nan 0.000 0.758