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 1eur_1_A DATA FIRST_RESID 47 DATA SEQUENCE GEPLYTEQDL AVNGREGFPN YRIPALTVTP DGDLLASYDG RPTGIDAPGP DATA SEQUENCE NSILQRRSTD GGRTWGEQQV VSAGQTTAPI KGFSDPSYLV DRETGTIFNF DATA SEQUENCE HVYSQRQGFA GSRPGTDPAD PNVLHANVAT STDGGLTWSH RTITADITPD DATA SEQUENCE PGWRSRFAAS GEGIQLRYGP HAGRLIQQYT IINAAGAFQA VSVYSDDHGR DATA SEQUENCE TWRAGEAVGV GMDENKTVEL SDGRVLLNSR DSARSGYRKV AVSTDGGHSY DATA SEQUENCE GPVTIDRDLP DPTNNASIIR AFPDAPAGSA RAKVLLFSNA ASQTSRSQGT DATA SEQUENCE IRMSCDDGQT WPVSKVFQPG SMSYSTLTAL PDGTYGLLYE PGTGIRYANF DATA SEQUENCE NLAWLGGICA P 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 47 G HA2 0.000 nan 3.960 nan 0.000 0.244 47 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 47 G C 0.000 174.959 174.900 0.099 0.000 0.946 47 G CA 0.000 45.154 45.100 0.090 0.000 0.502 48 E N 1.680 121.940 120.200 0.100 0.000 2.130 48 E HA 0.546 4.895 4.350 -0.001 0.000 0.284 48 E C -1.975 174.716 176.600 0.152 0.000 1.018 48 E CA -1.970 54.496 56.400 0.111 0.000 0.817 48 E CB 0.985 30.740 29.700 0.091 0.000 1.078 48 E HN 0.283 nan 8.360 nan 0.000 0.396 49 P HA 0.061 nan 4.420 nan 0.000 0.267 49 P C -0.988 176.486 177.300 0.290 0.000 1.200 49 P CA -0.229 63.050 63.100 0.297 0.000 0.772 49 P CB 0.619 32.518 31.700 0.332 0.000 0.855 50 L N 3.901 125.314 121.223 0.317 0.000 2.410 50 L HA 0.619 4.959 4.340 -0.001 0.000 0.270 50 L C -1.780 175.141 176.870 0.085 0.000 0.983 50 L CA -0.783 54.166 54.840 0.181 0.000 0.822 50 L CB 1.827 43.944 42.059 0.098 0.000 1.285 50 L HN 0.314 nan 8.230 nan 0.000 0.409 51 Y N 3.539 123.761 120.300 -0.129 0.000 2.298 51 Y HA 0.613 5.163 4.550 -0.001 0.000 0.322 51 Y C -1.119 174.684 175.900 -0.162 0.000 1.138 51 Y CA -0.244 57.644 58.100 -0.353 0.000 1.127 51 Y CB 1.700 39.668 38.460 -0.821 0.000 1.178 51 Y HN 0.747 nan 8.280 nan 0.000 0.428 52 T N 5.215 119.404 114.554 -0.610 0.000 2.883 52 T HA 0.703 5.052 4.350 -0.001 0.000 0.301 52 T C -1.718 172.718 174.700 -0.439 0.000 1.158 52 T CA -0.440 61.479 62.100 -0.301 0.000 1.007 52 T CB 1.551 70.347 68.868 -0.119 0.000 1.186 52 T HN 0.776 nan 8.240 nan 0.000 0.499 53 E N 1.915 122.017 120.200 -0.163 0.000 2.412 53 E HA 0.636 4.986 4.350 -0.001 0.000 0.279 53 E C -1.725 174.868 176.600 -0.012 0.000 0.984 53 E CA -1.052 55.278 56.400 -0.117 0.000 0.788 53 E CB 1.942 31.636 29.700 -0.011 0.000 1.277 53 E HN 0.719 nan 8.360 nan 0.000 0.455 54 Q N 1.189 120.982 119.800 -0.012 0.000 2.386 54 Q HA 0.362 4.702 4.340 -0.001 0.000 0.274 54 Q C -1.588 174.352 176.000 -0.100 0.000 1.011 54 Q CA -0.993 54.802 55.803 -0.012 0.000 0.867 54 Q CB 1.752 30.523 28.738 0.056 0.000 1.409 54 Q HN 0.433 nan 8.270 nan 0.000 0.395 55 D N 2.459 122.783 120.400 -0.127 0.000 2.389 55 D HA 0.172 4.812 4.640 -0.001 0.000 0.247 55 D C 0.551 176.687 176.300 -0.274 0.000 1.128 55 D CA 0.051 53.924 54.000 -0.211 0.000 0.884 55 D CB 1.483 42.181 40.800 -0.169 0.000 1.194 55 D HN 0.561 nan 8.370 nan 0.000 0.441 56 L N 0.518 121.497 121.223 -0.406 0.000 2.515 56 L HA 0.270 4.610 4.340 -0.001 0.000 0.223 56 L C 0.666 177.243 176.870 -0.489 0.000 1.079 56 L CA 0.241 54.786 54.840 -0.492 0.000 0.857 56 L CB 0.322 41.976 42.059 -0.675 0.000 1.050 56 L HN 0.321 nan 8.230 nan 0.000 0.476 57 A N 0.549 123.025 122.820 -0.573 0.000 2.488 57 A HA 0.576 4.896 4.320 -0.001 0.000 0.295 57 A C -1.195 176.137 177.584 -0.420 0.000 1.045 57 A CA -0.414 51.198 52.037 -0.708 0.000 0.703 57 A CB 1.790 19.957 19.000 -1.388 0.000 1.271 57 A HN -0.108 nan 8.150 nan 0.000 0.400 58 V N 1.186 120.986 119.914 -0.189 0.000 2.588 58 V HA 0.601 4.720 4.120 -0.001 0.000 0.304 58 V C -0.614 175.614 176.094 0.223 0.000 1.042 58 V CA -1.139 61.161 62.300 0.001 0.000 0.877 58 V CB 1.717 33.526 31.823 -0.023 0.000 0.996 58 V HN 0.755 nan 8.190 nan 0.000 0.425 59 N N 3.782 122.613 118.700 0.219 0.000 2.294 59 N HA 0.278 5.017 4.740 -0.001 0.000 0.263 59 N C 1.314 176.897 175.510 0.121 0.000 1.281 59 N CA 1.617 54.774 53.050 0.179 0.000 0.846 59 N CB 0.876 39.404 38.487 0.069 0.000 1.061 59 N HN 1.648 nan 8.380 nan 0.000 0.478 60 G N 1.627 110.488 108.800 0.102 0.000 2.213 60 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.236 60 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.236 60 G C 0.149 175.113 174.900 0.107 0.000 0.991 60 G CA -0.215 44.925 45.100 0.068 0.000 0.629 60 G HN 0.584 nan 8.290 nan 0.000 0.517 61 R N -0.149 120.469 120.500 0.198 0.000 2.664 61 R HA 0.596 4.936 4.340 -0.001 0.000 0.286 61 R C 0.584 177.051 176.300 0.277 0.000 0.967 61 R CA -0.297 55.909 56.100 0.176 0.000 0.933 61 R CB 1.222 31.590 30.300 0.115 0.000 1.146 61 R HN 0.121 nan 8.270 nan 0.000 0.468 62 E N 0.192 120.505 120.200 0.188 0.000 3.303 62 E HA -0.184 4.165 4.350 -0.001 0.000 0.302 62 E C 0.437 177.189 176.600 0.253 0.000 0.902 62 E CA 1.334 57.865 56.400 0.218 0.000 1.042 62 E CB -1.393 28.452 29.700 0.242 0.000 1.528 62 E HN 1.109 nan 8.360 nan 0.000 0.424 63 G N -2.313 106.557 108.800 0.117 0.000 2.201 63 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.212 63 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.212 63 G C 0.008 174.646 174.900 -0.437 0.000 0.994 63 G CA -0.147 44.875 45.100 -0.130 0.000 0.644 63 G HN 0.271 nan 8.290 nan 0.000 0.508 64 F N 0.540 120.449 119.950 -0.069 0.000 2.556 64 F HA 0.559 5.086 4.527 -0.001 0.000 0.314 64 F C -1.469 174.134 175.800 -0.330 0.000 1.106 64 F CA -1.778 56.045 58.000 -0.295 0.000 0.911 64 F CB 2.456 41.069 39.000 -0.645 0.000 1.190 64 F HN -0.172 nan 8.300 nan 0.000 0.448 65 P HA -0.028 nan 4.420 nan 0.000 0.236 65 P C -0.545 176.690 177.300 -0.107 0.000 1.177 65 P CA 0.893 63.950 63.100 -0.071 0.000 0.773 65 P CB 0.474 32.145 31.700 -0.050 0.000 0.878 66 N N -1.252 117.315 118.700 -0.221 0.000 2.367 66 N HA 0.344 5.084 4.740 -0.001 0.000 0.278 66 N C -2.010 173.281 175.510 -0.364 0.000 1.117 66 N CA -0.580 52.353 53.050 -0.195 0.000 0.867 66 N CB 1.086 39.513 38.487 -0.100 0.000 1.649 66 N HN -0.301 nan 8.380 nan 0.000 0.479 67 Y N 1.244 121.524 120.300 -0.034 0.000 2.477 67 Y HA 0.679 5.229 4.550 -0.001 0.000 0.347 67 Y C 0.263 176.105 175.900 -0.097 0.000 0.981 67 Y CA -0.641 57.421 58.100 -0.063 0.000 1.033 67 Y CB 2.066 40.458 38.460 -0.112 0.000 1.245 67 Y HN 0.288 nan 8.280 nan 0.000 0.455 68 R N 2.004 122.553 120.500 0.082 0.000 2.728 68 R HA 0.558 4.898 4.340 -0.001 0.000 0.274 68 R C -1.821 174.483 176.300 0.007 0.000 1.030 68 R CA -1.061 55.023 56.100 -0.026 0.000 0.876 68 R CB 2.286 32.519 30.300 -0.111 0.000 1.259 68 R HN 0.642 nan 8.270 nan 0.000 0.468 69 I N 0.065 120.608 120.570 -0.045 0.000 7.202 69 I HA -0.126 4.044 4.170 -0.001 0.000 0.126 69 I C -2.514 173.691 176.117 0.146 0.000 1.836 69 I CA -0.378 60.959 61.300 0.061 0.000 2.038 69 I CB -1.639 36.395 38.000 0.055 0.000 3.612 69 I HN 0.504 nan 8.210 nan 0.000 0.169 70 P HA 0.620 nan 4.420 nan 0.000 0.282 70 P C -0.601 176.802 177.300 0.172 0.000 1.249 70 P CA -0.235 62.969 63.100 0.173 0.000 0.806 70 P CB 2.385 34.170 31.700 0.142 0.000 0.984 71 A N 3.244 126.176 122.820 0.185 0.000 2.488 71 A HA 0.722 5.041 4.320 -0.001 0.000 0.298 71 A C -1.564 176.258 177.584 0.397 0.000 1.044 71 A CA -0.713 51.450 52.037 0.209 0.000 0.693 71 A CB 1.321 20.323 19.000 0.002 0.000 1.272 71 A HN 0.602 nan 8.150 nan 0.000 0.402 72 L N 1.343 122.830 121.223 0.440 0.000 2.434 72 L HA 0.888 5.228 4.340 -0.001 0.000 0.260 72 L C -0.687 176.336 176.870 0.254 0.000 0.983 72 L CA -0.150 54.907 54.840 0.363 0.000 0.820 72 L CB 2.479 44.704 42.059 0.277 0.000 1.361 72 L HN 0.948 nan 8.230 nan 0.000 0.410 73 T N 1.749 116.324 114.554 0.035 0.000 2.718 73 T HA 0.581 4.930 4.350 -0.001 0.000 0.306 73 T C -1.885 172.760 174.700 -0.093 0.000 1.485 73 T CA -0.254 61.810 62.100 -0.060 0.000 0.997 73 T CB 1.833 70.588 68.868 -0.190 0.000 1.504 73 T HN 0.272 nan 8.240 nan 0.000 0.497 74 V N 2.896 122.769 119.914 -0.068 0.000 2.487 74 V HA 0.584 4.703 4.120 -0.001 0.000 0.298 74 V C 0.790 176.834 176.094 -0.082 0.000 1.028 74 V CA -0.713 61.543 62.300 -0.074 0.000 0.860 74 V CB 1.590 33.386 31.823 -0.045 0.000 0.991 74 V HN 1.133 nan 8.190 nan 0.000 0.427 75 T N 2.529 117.021 114.554 -0.103 0.000 2.828 75 T HA 0.283 4.632 4.350 -0.001 0.000 0.290 75 T C -1.698 172.960 174.700 -0.071 0.000 1.019 75 T CA -1.407 60.636 62.100 -0.095 0.000 1.031 75 T CB 1.254 70.055 68.868 -0.113 0.000 1.001 75 T HN 0.423 nan 8.240 nan 0.000 0.531 76 P HA -0.039 nan 4.420 nan 0.000 0.218 76 P C 0.950 178.216 177.300 -0.057 0.000 1.148 76 P CA 0.870 63.940 63.100 -0.050 0.000 0.822 76 P CB 0.023 31.693 31.700 -0.051 0.000 0.784 77 D N -1.959 118.398 120.400 -0.072 0.000 2.312 77 D HA 0.026 4.665 4.640 -0.001 0.000 0.211 77 D C 1.647 177.899 176.300 -0.079 0.000 0.964 77 D CA 1.442 55.397 54.000 -0.074 0.000 0.877 77 D CB -0.235 40.515 40.800 -0.084 0.000 0.924 77 D HN 0.200 nan 8.370 nan 0.000 0.515 78 G N 0.890 109.640 108.800 -0.084 0.000 2.184 78 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.206 78 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.206 78 G C -0.226 174.601 174.900 -0.122 0.000 0.995 78 G CA -0.304 44.741 45.100 -0.092 0.000 0.651 78 G HN 0.158 nan 8.290 nan 0.000 0.511 79 D N 0.297 120.619 120.400 -0.130 0.000 2.341 79 D HA 0.529 5.169 4.640 -0.001 0.000 0.245 79 D C 0.419 176.615 176.300 -0.173 0.000 1.106 79 D CA -0.008 53.892 54.000 -0.167 0.000 0.905 79 D CB 1.308 42.019 40.800 -0.148 0.000 1.202 79 D HN 0.087 nan 8.370 nan 0.000 0.426 80 L N 1.874 122.951 121.223 -0.244 0.000 2.289 80 L HA 0.393 4.733 4.340 -0.001 0.000 0.285 80 L C -0.241 176.585 176.870 -0.074 0.000 1.049 80 L CA -0.254 54.476 54.840 -0.185 0.000 0.804 80 L CB 0.944 42.821 42.059 -0.304 0.000 1.195 80 L HN 0.156 nan 8.230 nan 0.000 0.428 81 L N 3.268 124.494 121.223 0.005 0.000 2.341 81 L HA 0.836 5.175 4.340 -0.001 0.000 0.278 81 L C -0.275 176.748 176.870 0.255 0.000 1.005 81 L CA -0.690 54.203 54.840 0.089 0.000 0.818 81 L CB 1.832 43.782 42.059 -0.182 0.000 1.259 81 L HN 0.697 nan 8.230 nan 0.000 0.418 82 A N 2.276 125.335 122.820 0.398 0.000 2.318 82 A HA 0.758 5.077 4.320 -0.001 0.000 0.317 82 A C -0.608 177.187 177.584 0.352 0.000 1.159 82 A CA -0.411 51.834 52.037 0.346 0.000 0.799 82 A CB 1.837 20.871 19.000 0.056 0.000 1.194 82 A HN 0.558 nan 8.150 nan 0.000 0.479 83 S N 1.082 116.978 115.700 0.328 0.000 2.568 83 S HA 0.942 5.412 4.470 -0.001 0.000 0.293 83 S C -1.180 173.443 174.600 0.039 0.000 1.089 83 S CA -0.411 57.767 58.200 -0.036 0.000 0.945 83 S CB 0.952 63.975 63.200 -0.294 0.000 1.077 83 S HN 1.371 nan 8.310 nan 0.000 0.485 84 Y N -0.512 119.727 120.300 -0.101 0.000 2.779 84 Y HA 0.552 5.102 4.550 -0.001 0.000 0.340 84 Y C -1.445 174.386 175.900 -0.115 0.000 1.252 84 Y CA -1.390 56.658 58.100 -0.088 0.000 1.072 84 Y CB -0.117 38.298 38.460 -0.074 0.000 1.343 84 Y HN 0.366 nan 8.280 nan 0.000 0.450 85 D N 0.485 120.928 120.400 0.073 0.000 2.304 85 D HA 0.503 5.143 4.640 -0.001 0.000 0.247 85 D C -0.126 176.136 176.300 -0.063 0.000 1.089 85 D CA 0.347 54.310 54.000 -0.060 0.000 0.910 85 D CB 1.611 42.380 40.800 -0.051 0.000 1.199 85 D HN 0.967 nan 8.370 nan 0.000 0.426 86 G N 1.292 109.846 108.800 -0.410 0.000 2.422 86 G HA2 0.521 4.481 3.960 -0.001 0.000 0.317 86 G HA3 0.521 4.481 3.960 -0.001 0.000 0.317 86 G C -0.443 174.150 174.900 -0.513 0.000 1.210 86 G CA -0.761 43.714 45.100 -1.042 0.000 0.930 86 G HN 0.256 nan 8.290 nan 0.000 0.468 87 R N 3.541 123.898 120.500 -0.238 0.000 2.352 87 R HA 0.228 4.567 4.340 -0.001 0.000 0.304 87 R C -2.086 174.255 176.300 0.067 0.000 1.104 87 R CA -1.572 54.503 56.100 -0.041 0.000 0.991 87 R CB 2.566 32.819 30.300 -0.079 0.000 1.140 87 R HN 0.301 nan 8.270 nan 0.000 0.540 88 P HA -0.152 nan 4.420 nan 0.000 0.219 88 P C 0.867 178.175 177.300 0.013 0.000 1.146 88 P CA 1.350 64.499 63.100 0.082 0.000 0.808 88 P CB 0.376 32.119 31.700 0.072 0.000 0.779 89 T N -6.257 108.298 114.554 0.003 0.000 3.228 89 T HA 0.441 4.791 4.350 -0.001 0.000 0.278 89 T C 1.162 175.847 174.700 -0.026 0.000 1.014 89 T CA 0.027 62.118 62.100 -0.015 0.000 0.904 89 T CB -0.662 68.196 68.868 -0.016 0.000 1.110 89 T HN 0.183 nan 8.240 nan 0.000 0.541 90 G N 1.326 110.107 108.800 -0.032 0.000 2.356 90 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.296 90 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.296 90 G C -0.193 174.678 174.900 -0.048 0.000 1.022 90 G CA 0.610 45.682 45.100 -0.046 0.000 0.961 90 G HN 0.699 nan 8.290 nan 0.000 0.510 91 I N -0.941 119.599 120.570 -0.049 0.000 3.095 91 I HA 0.389 4.558 4.170 -0.001 0.000 0.310 91 I C 0.052 176.130 176.117 -0.064 0.000 1.196 91 I CA -1.018 60.251 61.300 -0.053 0.000 0.985 91 I CB 1.642 39.617 38.000 -0.042 0.000 1.250 91 I HN 0.059 nan 8.210 nan 0.000 0.446 92 D N 2.175 122.531 120.400 -0.074 0.000 2.414 92 D HA 0.357 4.997 4.640 -0.001 0.000 0.251 92 D C -0.164 176.084 176.300 -0.086 0.000 1.252 92 D CA -0.134 53.810 54.000 -0.093 0.000 0.999 92 D CB 0.948 41.678 40.800 -0.116 0.000 1.093 92 D HN 0.607 nan 8.370 nan 0.000 0.515 93 A N 1.382 124.140 122.820 -0.103 0.000 2.586 93 A HA 0.059 4.379 4.320 -0.001 0.000 0.231 93 A C -1.496 176.039 177.584 -0.081 0.000 1.055 93 A CA -0.549 51.430 52.037 -0.097 0.000 0.756 93 A CB -0.120 18.815 19.000 -0.109 0.000 0.988 93 A HN 0.361 nan 8.150 nan 0.000 0.509 94 P HA 0.065 nan 4.420 nan 0.000 0.259 94 P C 0.684 177.940 177.300 -0.072 0.000 1.480 94 P CA 0.478 63.527 63.100 -0.085 0.000 0.842 94 P CB -0.593 31.058 31.700 -0.081 0.000 1.513 95 G N 2.878 111.641 108.800 -0.062 0.000 2.414 95 G HA2 0.097 4.057 3.960 -0.001 0.000 0.236 95 G HA3 0.097 4.057 3.960 -0.001 0.000 0.236 95 G C -1.988 172.888 174.900 -0.041 0.000 1.293 95 G CA -0.859 44.215 45.100 -0.044 0.000 0.869 95 G HN 0.125 nan 8.290 nan 0.000 0.556 96 P HA 0.078 nan 4.420 nan 0.000 0.230 96 P C -0.518 176.812 177.300 0.049 0.000 1.791 96 P CA -0.461 62.643 63.100 0.007 0.000 1.020 96 P CB 0.062 31.775 31.700 0.022 0.000 1.977 97 N N 0.473 119.187 118.700 0.023 0.000 2.445 97 N HA 0.263 5.003 4.740 -0.001 0.000 0.264 97 N C 0.250 175.812 175.510 0.086 0.000 1.227 97 N CA -0.058 53.011 53.050 0.032 0.000 0.963 97 N CB 0.559 39.030 38.487 -0.026 0.000 1.188 97 N HN 0.115 nan 8.380 nan 0.000 0.491 98 S N 0.245 115.946 115.700 0.002 0.000 2.566 98 S HA 0.537 5.006 4.470 -0.001 0.000 0.298 98 S C -0.286 174.200 174.600 -0.190 0.000 1.083 98 S CA -0.720 57.465 58.200 -0.025 0.000 0.978 98 S CB 1.305 64.510 63.200 0.008 0.000 1.073 98 S HN 0.270 nan 8.310 nan 0.000 0.491 99 I N 3.110 123.521 120.570 -0.264 0.000 2.315 99 I HA 0.389 4.558 4.170 -0.001 0.000 0.291 99 I C -0.333 175.544 176.117 -0.400 0.000 1.006 99 I CA -0.205 60.862 61.300 -0.388 0.000 1.265 99 I CB 0.343 37.990 38.000 -0.588 0.000 1.387 99 I HN 0.459 nan 8.210 nan 0.000 0.475 100 L N 5.725 126.652 121.223 -0.494 0.000 2.313 100 L HA 0.630 4.969 4.340 -0.001 0.000 0.268 100 L C -0.209 176.322 176.870 -0.564 0.000 1.010 100 L CA -0.739 53.789 54.840 -0.519 0.000 0.814 100 L CB 1.930 43.606 42.059 -0.638 0.000 1.304 100 L HN 0.531 nan 8.230 nan 0.000 0.441 101 Q N 1.287 120.887 119.800 -0.332 0.000 2.340 101 Q HA 0.502 4.842 4.340 -0.001 0.000 0.276 101 Q C -1.752 174.265 176.000 0.027 0.000 1.048 101 Q CA -0.844 54.889 55.803 -0.116 0.000 0.832 101 Q CB 2.724 31.504 28.738 0.070 0.000 1.373 101 Q HN 0.554 nan 8.270 nan 0.000 0.409 102 R N 2.147 122.742 120.500 0.159 0.000 2.750 102 R HA 0.560 4.899 4.340 -0.001 0.000 0.281 102 R C -1.055 175.480 176.300 0.392 0.000 0.972 102 R CA -0.780 55.479 56.100 0.266 0.000 0.912 102 R CB 2.511 32.977 30.300 0.278 0.000 1.187 102 R HN 0.714 nan 8.270 nan 0.000 0.464 103 R N 0.431 121.120 120.500 0.315 0.000 2.686 103 R HA 0.411 4.750 4.340 -0.001 0.000 0.286 103 R C -1.272 174.933 176.300 -0.158 0.000 0.969 103 R CA -0.299 55.875 56.100 0.123 0.000 0.898 103 R CB 2.132 32.456 30.300 0.040 0.000 1.183 103 R HN 0.565 nan 8.270 nan 0.000 0.456 104 S N 1.020 116.372 115.700 -0.580 0.000 2.519 104 S HA 0.234 4.703 4.470 -0.001 0.000 0.309 104 S C 0.355 174.651 174.600 -0.506 0.000 1.100 104 S CA -0.498 57.175 58.200 -0.878 0.000 1.059 104 S CB 1.472 63.576 63.200 -1.826 0.000 1.008 104 S HN 0.724 nan 8.310 nan 0.000 0.478 105 T N 0.041 114.379 114.554 -0.361 0.000 3.054 105 T HA 0.200 4.550 4.350 -0.001 0.000 0.255 105 T C 0.109 174.678 174.700 -0.219 0.000 1.035 105 T CA 0.061 62.016 62.100 -0.241 0.000 0.941 105 T CB -0.236 68.533 68.868 -0.165 0.000 1.026 105 T HN 0.620 nan 8.240 nan 0.000 0.533 106 D N 0.436 120.675 120.400 -0.268 0.000 2.788 106 D HA 0.351 4.991 4.640 -0.001 0.000 0.289 106 D C 1.301 177.477 176.300 -0.206 0.000 1.340 106 D CA -0.410 53.470 54.000 -0.201 0.000 0.831 106 D CB -0.290 40.412 40.800 -0.163 0.000 1.103 106 D HN 0.349 nan 8.370 nan 0.000 0.476 107 G N -0.404 108.254 108.800 -0.237 0.000 2.153 107 G HA2 -0.071 3.889 3.960 -0.001 0.000 0.252 107 G HA3 -0.071 3.889 3.960 -0.001 0.000 0.252 107 G C 1.144 175.920 174.900 -0.205 0.000 0.994 107 G CA 0.379 45.363 45.100 -0.193 0.000 0.698 107 G HN 1.505 nan 8.290 nan 0.000 0.521 108 G N -1.459 107.093 108.800 -0.414 0.000 2.179 108 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.220 108 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.220 108 G C 1.148 175.971 174.900 -0.128 0.000 0.990 108 G CA 1.048 45.901 45.100 -0.412 0.000 0.646 108 G HN 0.821 nan 8.290 nan 0.000 0.517 109 R N -0.035 120.375 120.500 -0.150 0.000 2.062 109 R HA 0.086 4.425 4.340 -0.001 0.000 0.229 109 R C 0.515 176.807 176.300 -0.014 0.000 1.128 109 R CA 1.577 57.665 56.100 -0.021 0.000 0.960 109 R CB -0.148 30.126 30.300 -0.043 0.000 0.855 109 R HN 0.398 nan 8.270 nan 0.000 0.432 110 T N -0.143 114.295 114.554 -0.194 0.000 2.863 110 T HA 0.366 4.716 4.350 -0.001 0.000 0.285 110 T C -1.369 173.114 174.700 -0.361 0.000 1.009 110 T CA -0.503 61.527 62.100 -0.118 0.000 0.989 110 T CB 1.600 70.416 68.868 -0.086 0.000 1.004 110 T HN 0.092 nan 8.240 nan 0.000 0.455 111 W N 0.934 122.201 121.300 -0.055 0.000 2.702 111 W HA 0.639 5.298 4.660 -0.001 0.000 0.331 111 W C 0.693 177.192 176.519 -0.032 0.000 1.049 111 W CA -0.728 56.582 57.345 -0.059 0.000 1.230 111 W CB 1.165 30.583 29.460 -0.069 0.000 1.408 111 W HN 0.934 nan 8.180 nan 0.000 0.492 112 G N 1.012 109.904 108.800 0.153 0.000 2.570 112 G HA2 0.172 4.131 3.960 -0.001 0.000 0.276 112 G HA3 0.172 4.131 3.960 -0.001 0.000 0.276 112 G C -0.275 174.703 174.900 0.129 0.000 1.346 112 G CA -0.479 44.681 45.100 0.100 0.000 1.034 112 G HN 0.358 nan 8.290 nan 0.000 0.512 113 E N -0.425 119.831 120.200 0.092 0.000 2.374 113 E HA 0.081 4.431 4.350 -0.001 0.000 0.260 113 E C 0.246 176.907 176.600 0.101 0.000 1.101 113 E CA -0.170 56.284 56.400 0.091 0.000 0.907 113 E CB 0.994 30.736 29.700 0.070 0.000 1.014 113 E HN 0.455 nan 8.360 nan 0.000 0.427 114 Q N 2.340 122.201 119.800 0.101 0.000 2.286 114 Q HA -0.008 4.332 4.340 -0.001 0.000 0.267 114 Q C -0.760 175.288 176.000 0.080 0.000 1.028 114 Q CA -0.032 55.828 55.803 0.094 0.000 0.901 114 Q CB 0.449 29.262 28.738 0.125 0.000 1.183 114 Q HN 0.204 nan 8.270 nan 0.000 0.392 115 Q N 2.294 122.125 119.800 0.052 0.000 2.351 115 Q HA 0.467 4.807 4.340 -0.001 0.000 0.273 115 Q C -1.029 174.975 176.000 0.007 0.000 1.077 115 Q CA -0.822 55.014 55.803 0.054 0.000 0.843 115 Q CB 2.118 30.905 28.738 0.082 0.000 1.367 115 Q HN 0.487 nan 8.270 nan 0.000 0.449 116 V N 1.796 121.719 119.914 0.015 0.000 2.407 116 V HA 0.155 4.274 4.120 -0.001 0.000 0.278 116 V C 1.051 177.096 176.094 -0.082 0.000 1.037 116 V CA -0.171 62.103 62.300 -0.043 0.000 0.900 116 V CB 1.318 33.139 31.823 -0.004 0.000 0.983 116 V HN 0.659 nan 8.190 nan 0.000 0.459 117 V N 3.240 123.022 119.914 -0.221 0.000 2.374 117 V HA 0.079 4.199 4.120 -0.001 0.000 0.241 117 V C 0.848 176.754 176.094 -0.314 0.000 1.034 117 V CA 1.106 63.184 62.300 -0.370 0.000 1.037 117 V CB 0.432 31.848 31.823 -0.678 0.000 0.682 117 V HN 0.797 nan 8.190 nan 0.000 0.463 118 S N 0.201 115.643 115.700 -0.431 0.000 2.707 118 S HA 0.737 5.206 4.470 -0.001 0.000 0.303 118 S C -0.313 174.020 174.600 -0.446 0.000 1.132 118 S CA -0.395 57.424 58.200 -0.635 0.000 1.046 118 S CB 1.503 64.105 63.200 -0.997 0.000 1.004 118 S HN 0.483 nan 8.310 nan 0.000 0.483 119 A N 2.869 125.482 122.820 -0.345 0.000 2.309 119 A HA 0.717 5.037 4.320 -0.001 0.000 0.290 119 A C 0.787 178.462 177.584 0.151 0.000 1.206 119 A CA -0.390 51.609 52.037 -0.064 0.000 0.850 119 A CB 0.013 18.991 19.000 -0.037 0.000 1.118 119 A HN 0.837 nan 8.150 nan 0.000 0.523 120 G N 0.654 109.624 108.800 0.284 0.000 2.599 120 G HA2 0.462 4.421 3.960 -0.001 0.000 0.264 120 G HA3 0.462 4.421 3.960 -0.001 0.000 0.264 120 G C -0.169 174.852 174.900 0.200 0.000 1.200 120 G CA -0.336 44.967 45.100 0.339 0.000 0.896 120 G HN 0.831 nan 8.290 nan 0.000 0.536 121 Q N -1.016 118.874 119.800 0.151 0.000 2.339 121 Q HA 0.306 4.646 4.340 -0.001 0.000 0.268 121 Q C 1.055 177.090 176.000 0.058 0.000 1.027 121 Q CA -0.416 55.445 55.803 0.096 0.000 0.759 121 Q CB 1.063 29.861 28.738 0.099 0.000 1.244 121 Q HN 0.618 nan 8.270 nan 0.000 0.464 122 T N -0.922 113.658 114.554 0.043 0.000 3.055 122 T HA -0.000 4.349 4.350 -0.001 0.000 0.265 122 T C 0.867 175.574 174.700 0.012 0.000 1.111 122 T CA 0.806 62.919 62.100 0.023 0.000 1.118 122 T CB -0.183 68.692 68.868 0.012 0.000 0.909 122 T HN 0.602 nan 8.240 nan 0.000 0.501 123 T N 0.433 114.997 114.554 0.016 0.000 2.902 123 T HA 0.753 5.103 4.350 -0.001 0.000 0.283 123 T C 0.165 174.874 174.700 0.015 0.000 1.009 123 T CA -0.733 61.373 62.100 0.011 0.000 1.051 123 T CB 1.481 70.354 68.868 0.009 0.000 0.999 123 T HN 0.404 nan 8.240 nan 0.000 0.474 124 A N 4.263 127.089 122.820 0.010 0.000 2.540 124 A HA 0.455 4.774 4.320 -0.001 0.000 0.239 124 A C -1.487 176.108 177.584 0.018 0.000 1.061 124 A CA -1.138 50.906 52.037 0.011 0.000 0.758 124 A CB -0.749 18.254 19.000 0.006 0.000 0.991 124 A HN 0.824 nan 8.150 nan 0.000 0.502 125 P HA 0.233 nan 4.420 nan 0.000 0.276 125 P C -0.497 176.822 177.300 0.032 0.000 1.264 125 P CA 0.126 63.242 63.100 0.027 0.000 0.769 125 P CB 0.291 32.013 31.700 0.038 0.000 0.840 126 I N 3.946 124.525 120.570 0.015 0.000 2.648 126 I HA 0.075 4.244 4.170 -0.001 0.000 0.284 126 I C 1.073 177.194 176.117 0.006 0.000 1.153 126 I CA 0.529 61.835 61.300 0.011 0.000 1.426 126 I CB 0.194 38.190 38.000 -0.008 0.000 1.381 126 I HN 0.230 nan 8.210 nan 0.000 0.571 127 K N 3.926 124.336 120.400 0.018 0.000 2.502 127 K HA 0.738 5.058 4.320 -0.001 0.000 0.257 127 K C -0.617 175.918 176.600 -0.108 0.000 0.938 127 K CA -0.844 55.435 56.287 -0.014 0.000 0.819 127 K CB 2.448 35.035 32.500 0.146 0.000 1.333 127 K HN 0.747 nan 8.250 nan 0.000 0.434 128 G N 1.301 109.902 108.800 -0.331 0.000 2.659 128 G HA2 0.746 4.705 3.960 -0.001 0.000 0.296 128 G HA3 0.746 4.705 3.960 -0.001 0.000 0.296 128 G C -1.695 172.817 174.900 -0.647 0.000 1.369 128 G CA -0.563 44.355 45.100 -0.303 0.000 0.937 128 G HN 0.319 nan 8.290 nan 0.000 0.485 129 F N 0.795 120.772 119.950 0.045 0.000 2.536 129 F HA 0.706 5.232 4.527 -0.001 0.000 0.322 129 F C 0.387 176.150 175.800 -0.062 0.000 1.144 129 F CA -0.570 57.443 58.000 0.022 0.000 0.924 129 F CB 2.735 41.670 39.000 -0.108 0.000 1.181 129 F HN 0.423 nan 8.300 nan 0.000 0.438 130 S N 0.463 116.226 115.700 0.105 0.000 2.651 130 S HA 0.515 4.985 4.470 -0.001 0.000 0.279 130 S C -1.654 172.995 174.600 0.082 0.000 1.148 130 S CA -1.225 56.996 58.200 0.035 0.000 0.837 130 S CB 1.904 65.095 63.200 -0.015 0.000 1.138 130 S HN 0.657 nan 8.310 nan 0.000 0.478 131 D N 1.551 121.980 120.400 0.048 0.000 3.133 131 D HA -0.090 4.550 4.640 -0.001 0.000 0.239 131 D C -2.609 173.746 176.300 0.093 0.000 1.136 131 D CA 0.520 54.574 54.000 0.091 0.000 0.898 131 D CB -0.737 40.149 40.800 0.143 0.000 0.959 131 D HN 0.180 nan 8.370 nan 0.000 0.415 132 P HA 0.273 nan 4.420 nan 0.000 0.278 132 P C -0.654 176.625 177.300 -0.034 0.000 1.238 132 P CA -0.406 62.682 63.100 -0.021 0.000 0.794 132 P CB 1.926 33.517 31.700 -0.182 0.000 0.955 133 S N 1.924 117.611 115.700 -0.022 0.000 2.677 133 S HA 0.482 4.952 4.470 -0.001 0.000 0.283 133 S C -1.286 173.394 174.600 0.134 0.000 1.159 133 S CA -0.509 57.711 58.200 0.033 0.000 1.001 133 S CB 0.175 63.374 63.200 -0.002 0.000 1.032 133 S HN 0.182 nan 8.310 nan 0.000 0.487 134 Y N 2.961 123.386 120.300 0.209 0.000 2.316 134 Y HA 0.757 5.307 4.550 -0.001 0.000 0.324 134 Y C 0.005 176.090 175.900 0.309 0.000 1.267 134 Y CA -0.816 57.442 58.100 0.263 0.000 1.311 134 Y CB 1.244 39.834 38.460 0.216 0.000 1.267 134 Y HN 0.576 nan 8.280 nan 0.000 0.516 135 L N 2.276 123.867 121.223 0.614 0.000 2.614 135 L HA 0.542 4.882 4.340 -0.001 0.000 0.264 135 L C -1.856 175.359 176.870 0.576 0.000 0.940 135 L CA -0.707 54.462 54.840 0.548 0.000 0.903 135 L CB 1.522 43.960 42.059 0.631 0.000 1.306 135 L HN 0.327 nan 8.230 nan 0.000 0.410 136 V N 3.973 124.121 119.914 0.390 0.000 2.417 136 V HA 0.429 4.549 4.120 -0.001 0.000 0.291 136 V C -0.459 175.817 176.094 0.303 0.000 1.024 136 V CA -0.648 61.824 62.300 0.286 0.000 0.861 136 V CB 1.680 33.588 31.823 0.143 0.000 0.985 136 V HN 0.740 nan 8.190 nan 0.000 0.436 137 D N 4.691 125.284 120.400 0.322 0.000 2.393 137 D HA 0.179 4.818 4.640 -0.001 0.000 0.232 137 D C 1.175 177.576 176.300 0.168 0.000 1.192 137 D CA -0.405 53.782 54.000 0.311 0.000 0.882 137 D CB 0.869 41.916 40.800 0.413 0.000 1.038 137 D HN 0.334 nan 8.370 nan 0.000 0.499 138 R N 2.771 123.355 120.500 0.140 0.000 2.189 138 R HA -0.064 4.275 4.340 -0.001 0.000 0.223 138 R C 1.346 177.682 176.300 0.060 0.000 1.092 138 R CA 0.630 56.779 56.100 0.081 0.000 0.989 138 R CB 0.147 30.491 30.300 0.075 0.000 0.876 138 R HN 0.619 nan 8.270 nan 0.000 0.457 139 E N -0.109 120.141 120.200 0.083 0.000 2.076 139 E HA -0.091 4.258 4.350 -0.001 0.000 0.190 139 E C 1.683 178.255 176.600 -0.046 0.000 0.979 139 E CA 1.751 58.171 56.400 0.033 0.000 0.807 139 E CB 0.061 29.809 29.700 0.081 0.000 0.761 139 E HN 0.404 nan 8.360 nan 0.000 0.454 140 T N -3.577 110.943 114.554 -0.056 0.000 3.037 140 T HA 0.270 4.620 4.350 -0.001 0.000 0.252 140 T C 1.557 176.222 174.700 -0.060 0.000 1.073 140 T CA 0.469 62.510 62.100 -0.099 0.000 1.091 140 T CB 0.823 69.613 68.868 -0.130 0.000 0.935 140 T HN 0.285 nan 8.240 nan 0.000 0.488 141 G N 1.175 109.958 108.800 -0.029 0.000 2.157 141 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.248 141 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.248 141 G C 0.131 174.973 174.900 -0.095 0.000 0.979 141 G CA 0.109 45.177 45.100 -0.052 0.000 0.650 141 G HN 0.732 nan 8.290 nan 0.000 0.529 142 T N 1.054 115.546 114.554 -0.103 0.000 2.897 142 T HA 0.611 4.960 4.350 -0.001 0.000 0.294 142 T C 0.570 175.068 174.700 -0.337 0.000 1.004 142 T CA 0.222 62.162 62.100 -0.266 0.000 1.106 142 T CB 1.638 70.318 68.868 -0.313 0.000 0.949 142 T HN 0.332 nan 8.240 nan 0.000 0.520 143 I N 2.702 123.011 120.570 -0.434 0.000 2.474 143 I HA 0.506 4.675 4.170 -0.001 0.000 0.294 143 I C -0.922 175.044 176.117 -0.252 0.000 1.005 143 I CA -0.831 60.350 61.300 -0.198 0.000 1.113 143 I CB 1.423 39.385 38.000 -0.062 0.000 1.289 143 I HN 0.497 nan 8.210 nan 0.000 0.436 144 F N 3.288 123.450 119.950 0.355 0.000 2.546 144 F HA 0.424 4.950 4.527 -0.001 0.000 0.320 144 F C 0.016 175.968 175.800 0.253 0.000 1.076 144 F CA -0.769 57.377 58.000 0.244 0.000 0.928 144 F CB 1.666 40.710 39.000 0.073 0.000 1.189 144 F HN 0.363 nan 8.300 nan 0.000 0.465 145 N N 1.823 120.618 118.700 0.159 0.000 2.540 145 N HA 0.470 5.209 4.740 -0.001 0.000 0.275 145 N C -1.685 173.700 175.510 -0.207 0.000 1.053 145 N CA -0.341 52.682 53.050 -0.045 0.000 0.876 145 N CB 0.734 39.002 38.487 -0.365 0.000 1.284 145 N HN 0.335 nan 8.380 nan 0.000 0.518 146 F N 2.564 122.447 119.950 -0.111 0.000 2.384 146 F HA 0.427 4.953 4.527 -0.001 0.000 0.338 146 F C 0.617 176.316 175.800 -0.168 0.000 1.103 146 F CA 0.206 58.063 58.000 -0.238 0.000 1.157 146 F CB 0.913 39.772 39.000 -0.234 0.000 1.167 146 F HN 0.583 nan 8.300 nan 0.000 0.529 147 H N -1.655 117.500 119.070 0.142 0.000 2.987 147 H HA 0.519 5.075 4.556 -0.001 0.000 0.316 147 H C -1.640 173.809 175.328 0.201 0.000 1.380 147 H CA -1.323 54.797 56.048 0.120 0.000 1.160 147 H CB 0.054 29.857 29.762 0.068 0.000 1.865 147 H HN 0.337 nan 8.280 nan 0.000 0.521 148 V N 1.327 121.444 119.914 0.337 0.000 2.811 148 V HA 0.070 4.190 4.120 -0.001 0.000 0.302 148 V C -0.780 175.530 176.094 0.359 0.000 1.063 148 V CA 0.093 62.560 62.300 0.278 0.000 1.088 148 V CB 0.548 32.456 31.823 0.142 0.000 0.982 148 V HN 0.758 nan 8.190 nan 0.000 0.485 149 Y N 4.844 125.218 120.300 0.124 0.000 2.363 149 Y HA 0.580 5.130 4.550 -0.001 0.000 0.325 149 Y C 0.009 175.853 175.900 -0.093 0.000 0.984 149 Y CA -1.319 56.742 58.100 -0.066 0.000 1.248 149 Y CB 1.163 39.716 38.460 0.155 0.000 1.116 149 Y HN 0.655 nan 8.280 nan 0.000 0.470 150 S N 4.392 119.870 115.700 -0.370 0.000 2.621 150 S HA 0.699 5.168 4.470 -0.001 0.000 0.302 150 S C -0.240 174.094 174.600 -0.443 0.000 1.093 150 S CA -0.534 57.436 58.200 -0.383 0.000 1.017 150 S CB 2.999 66.073 63.200 -0.211 0.000 1.077 150 S HN 0.808 nan 8.310 nan 0.000 0.517 151 Q N 0.311 119.914 119.800 -0.328 0.000 1.915 151 Q HA 0.358 4.698 4.340 -0.001 0.000 0.153 151 Q C 1.768 177.689 176.000 -0.131 0.000 0.480 151 Q CA -0.551 55.123 55.803 -0.215 0.000 0.723 151 Q CB 0.202 28.817 28.738 -0.205 0.000 0.940 151 Q HN 0.667 nan 8.270 nan 0.000 0.357 152 R N -0.106 120.327 120.500 -0.111 0.000 2.189 152 R HA 0.171 4.511 4.340 -0.001 0.000 0.203 152 R C 0.254 176.506 176.300 -0.080 0.000 1.012 152 R CA 0.491 56.544 56.100 -0.078 0.000 1.015 152 R CB 0.576 30.841 30.300 -0.059 0.000 0.938 152 R HN 0.212 nan 8.270 nan 0.000 0.472 153 Q N -0.403 119.337 119.800 -0.099 0.000 2.348 153 Q HA 0.416 4.756 4.340 -0.001 0.000 0.271 153 Q C -0.039 175.907 176.000 -0.089 0.000 1.067 153 Q CA -0.421 55.328 55.803 -0.088 0.000 0.839 153 Q CB 2.087 30.770 28.738 -0.091 0.000 1.354 153 Q HN 0.163 nan 8.270 nan 0.000 0.447 154 G N -0.125 108.635 108.800 -0.066 0.000 2.606 154 G HA2 0.254 4.213 3.960 -0.001 0.000 0.262 154 G HA3 0.254 4.213 3.960 -0.001 0.000 0.262 154 G C 0.151 175.046 174.900 -0.009 0.000 1.394 154 G CA -0.343 44.728 45.100 -0.048 0.000 1.044 154 G HN 0.515 nan 8.290 nan 0.000 0.553 155 F N 1.159 121.001 119.950 -0.180 0.000 2.075 155 F HA -0.036 4.491 4.527 -0.001 0.000 0.297 155 F C 2.719 178.452 175.800 -0.111 0.000 1.113 155 F CA 2.154 60.045 58.000 -0.182 0.000 1.218 155 F CB -0.466 38.339 39.000 -0.325 0.000 0.984 155 F HN 0.309 nan 8.300 nan 0.000 0.472 156 A N -0.236 122.504 122.820 -0.132 0.000 1.969 156 A HA 0.015 4.335 4.320 -0.001 0.000 0.218 156 A C 2.324 179.819 177.584 -0.147 0.000 1.169 156 A CA 1.511 53.443 52.037 -0.176 0.000 0.635 156 A CB -1.628 17.375 19.000 0.004 0.000 0.810 156 A HN 0.513 nan 8.150 nan 0.000 0.445 157 G N -1.133 107.604 108.800 -0.104 0.000 2.939 157 G HA2 0.240 4.200 3.960 -0.001 0.000 0.210 157 G HA3 0.240 4.200 3.960 -0.001 0.000 0.210 157 G C 0.703 175.545 174.900 -0.096 0.000 1.160 157 G CA 0.658 45.707 45.100 -0.084 0.000 0.770 157 G HN 0.440 nan 8.290 nan 0.000 0.543 158 S N 0.842 116.467 115.700 -0.125 0.000 2.552 158 S HA 0.255 4.725 4.470 -0.001 0.000 0.289 158 S C 0.549 175.089 174.600 -0.100 0.000 1.304 158 S CA -0.271 57.858 58.200 -0.118 0.000 1.063 158 S CB 0.388 63.514 63.200 -0.124 0.000 0.848 158 S HN 0.227 nan 8.310 nan 0.000 0.499 159 R N 3.893 124.344 120.500 -0.083 0.000 2.596 159 R HA 0.513 4.853 4.340 -0.001 0.000 0.267 159 R C -2.361 173.911 176.300 -0.046 0.000 1.026 159 R CA -2.361 53.705 56.100 -0.056 0.000 1.087 159 R CB 0.081 30.355 30.300 -0.044 0.000 1.132 159 R HN 0.515 nan 8.270 nan 0.000 0.531 160 P HA 0.248 nan 4.420 nan 0.000 0.272 160 P C -0.137 177.158 177.300 -0.008 0.000 1.230 160 P CA 0.103 63.203 63.100 -0.001 0.000 0.788 160 P CB 0.725 32.432 31.700 0.012 0.000 0.949 161 G N -0.514 108.288 108.800 0.003 0.000 2.317 161 G HA2 0.131 4.090 3.960 -0.001 0.000 0.445 161 G HA3 0.131 4.090 3.960 -0.001 0.000 0.445 161 G C -0.339 174.576 174.900 0.026 0.000 1.486 161 G CA -0.265 44.842 45.100 0.012 0.000 0.991 161 G HN 0.463 nan 8.290 nan 0.000 0.660 162 T N -0.497 114.102 114.554 0.076 0.000 3.130 162 T HA 0.201 4.550 4.350 -0.001 0.000 0.288 162 T C 0.153 175.004 174.700 0.251 0.000 0.936 162 T CA 0.527 62.712 62.100 0.142 0.000 0.897 162 T CB -0.040 68.883 68.868 0.091 0.000 1.178 162 T HN 0.638 nan 8.240 nan 0.000 0.543 163 D N 2.562 123.090 120.400 0.214 0.000 2.382 163 D HA 0.144 4.784 4.640 -0.001 0.000 0.259 163 D C -1.682 174.764 176.300 0.244 0.000 1.224 163 D CA -1.941 52.168 54.000 0.181 0.000 0.894 163 D CB 1.799 42.669 40.800 0.116 0.000 1.127 163 D HN 0.069 nan 8.370 nan 0.000 0.487 164 P HA -0.098 nan 4.420 nan 0.000 0.219 164 P C 0.619 177.892 177.300 -0.046 0.000 1.146 164 P CA 1.182 64.092 63.100 -0.318 0.000 0.808 164 P CB 0.236 31.849 31.700 -0.144 0.000 0.779 165 A N -1.240 121.616 122.820 0.060 0.000 2.208 165 A HA -0.041 4.279 4.320 -0.001 0.000 0.209 165 A C 1.099 178.743 177.584 0.100 0.000 1.161 165 A CA 0.313 52.400 52.037 0.083 0.000 0.782 165 A CB -0.816 18.221 19.000 0.062 0.000 0.816 165 A HN 0.052 nan 8.150 nan 0.000 0.477 166 D N 0.701 121.190 120.400 0.148 0.000 2.338 166 D HA 0.152 4.791 4.640 -0.001 0.000 0.255 166 D C -1.668 174.687 176.300 0.092 0.000 1.237 166 D CA -1.886 52.180 54.000 0.110 0.000 0.883 166 D CB 1.309 42.171 40.800 0.103 0.000 1.087 166 D HN 0.139 nan 8.370 nan 0.000 0.485 167 P HA -0.002 nan 4.420 nan 0.000 0.245 167 P C 0.292 177.553 177.300 -0.064 0.000 1.212 167 P CA 0.254 63.336 63.100 -0.030 0.000 0.774 167 P CB 0.521 32.209 31.700 -0.020 0.000 0.999 168 N N 0.085 118.753 118.700 -0.053 0.000 2.280 168 N HA 0.049 4.788 4.740 -0.001 0.000 0.192 168 N C 0.593 176.037 175.510 -0.109 0.000 1.109 168 N CA 0.178 53.186 53.050 -0.071 0.000 0.855 168 N CB 1.088 39.547 38.487 -0.047 0.000 0.974 168 N HN 0.175 nan 8.380 nan 0.000 0.482 169 V N 0.205 120.021 119.914 -0.163 0.000 2.667 169 V HA 0.485 4.605 4.120 -0.001 0.000 0.308 169 V C -0.476 175.408 176.094 -0.351 0.000 1.048 169 V CA -1.075 61.064 62.300 -0.268 0.000 0.928 169 V CB 2.138 33.752 31.823 -0.348 0.000 1.004 169 V HN -0.107 nan 8.190 nan 0.000 0.444 170 L N 5.515 126.588 121.223 -0.250 0.000 2.283 170 L HA 0.538 4.878 4.340 -0.001 0.000 0.287 170 L C -0.058 176.717 176.870 -0.159 0.000 1.073 170 L CA 0.457 55.203 54.840 -0.156 0.000 0.822 170 L CB -0.212 41.839 42.059 -0.013 0.000 1.186 170 L HN 0.871 nan 8.230 nan 0.000 0.436 171 H N 3.036 122.107 119.070 0.002 0.000 2.505 171 H HA 0.683 5.239 4.556 -0.001 0.000 0.355 171 H C -0.173 175.283 175.328 0.212 0.000 1.179 171 H CA 0.051 56.172 56.048 0.123 0.000 1.343 171 H CB 1.274 31.152 29.762 0.193 0.000 1.501 171 H HN 0.781 nan 8.280 nan 0.000 0.569 172 A N 2.760 125.803 122.820 0.372 0.000 2.249 172 A HA 0.310 4.629 4.320 -0.001 0.000 0.314 172 A C -0.356 177.389 177.584 0.269 0.000 1.290 172 A CA -0.619 51.621 52.037 0.338 0.000 0.893 172 A CB 0.159 19.358 19.000 0.332 0.000 1.165 172 A HN 0.859 nan 8.150 nan 0.000 0.530 173 N N 0.648 119.461 118.700 0.189 0.000 2.404 173 N HA 0.691 5.431 4.740 -0.001 0.000 0.297 173 N C -1.397 173.965 175.510 -0.246 0.000 1.163 173 N CA -0.588 52.475 53.050 0.022 0.000 0.864 173 N CB 2.247 40.779 38.487 0.075 0.000 1.247 173 N HN 0.368 nan 8.380 nan 0.000 0.510 174 V N 0.527 120.256 119.914 -0.309 0.000 2.686 174 V HA 0.633 4.753 4.120 -0.001 0.000 0.306 174 V C -0.647 175.269 176.094 -0.297 0.000 1.065 174 V CA -0.944 61.022 62.300 -0.556 0.000 0.894 174 V CB 1.411 32.808 31.823 -0.711 0.000 1.004 174 V HN 0.771 nan 8.190 nan 0.000 0.424 175 A N 2.530 125.192 122.820 -0.263 0.000 2.317 175 A HA 0.881 5.200 4.320 -0.001 0.000 0.327 175 A C -0.045 177.661 177.584 0.204 0.000 1.178 175 A CA -0.471 51.495 52.037 -0.118 0.000 0.817 175 A CB 1.181 20.016 19.000 -0.276 0.000 1.189 175 A HN 0.781 nan 8.150 nan 0.000 0.489 176 T N 1.491 116.182 114.554 0.228 0.000 2.824 176 T HA 0.593 4.943 4.350 -0.001 0.000 0.282 176 T C -0.329 174.328 174.700 -0.071 0.000 0.993 176 T CA -0.342 61.828 62.100 0.116 0.000 0.967 176 T CB 1.364 70.288 68.868 0.094 0.000 0.960 176 T HN 0.728 nan 8.240 nan 0.000 0.441 177 S N 1.112 116.574 115.700 -0.398 0.000 2.532 177 S HA 0.534 5.003 4.470 -0.001 0.000 0.299 177 S C 0.793 175.105 174.600 -0.481 0.000 1.105 177 S CA -0.623 57.165 58.200 -0.688 0.000 1.018 177 S CB 1.023 63.337 63.200 -1.478 0.000 1.021 177 S HN 0.820 nan 8.310 nan 0.000 0.483 178 T N -0.054 114.283 114.554 -0.361 0.000 3.085 178 T HA 0.227 4.576 4.350 -0.001 0.000 0.264 178 T C -0.036 174.522 174.700 -0.235 0.000 1.019 178 T CA -0.096 61.849 62.100 -0.259 0.000 0.910 178 T CB -0.273 68.488 68.868 -0.178 0.000 1.059 178 T HN 0.611 nan 8.240 nan 0.000 0.542 179 D N 0.603 120.828 120.400 -0.291 0.000 2.788 179 D HA 0.353 4.992 4.640 -0.001 0.000 0.289 179 D C 1.254 177.408 176.300 -0.245 0.000 1.340 179 D CA -0.553 53.307 54.000 -0.233 0.000 0.831 179 D CB -0.307 40.370 40.800 -0.206 0.000 1.103 179 D HN 0.331 nan 8.370 nan 0.000 0.476 180 G N -0.149 108.498 108.800 -0.256 0.000 2.198 180 G HA2 -0.031 3.929 3.960 -0.001 0.000 0.260 180 G HA3 -0.031 3.929 3.960 -0.001 0.000 0.260 180 G C 1.136 175.890 174.900 -0.244 0.000 1.025 180 G CA 0.327 45.297 45.100 -0.218 0.000 0.769 180 G HN 1.480 nan 8.290 nan 0.000 0.507 181 G N -1.784 106.755 108.800 -0.434 0.000 2.157 181 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.248 181 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.248 181 G C 1.198 175.898 174.900 -0.333 0.000 0.979 181 G CA 0.893 45.720 45.100 -0.455 0.000 0.650 181 G HN 1.133 nan 8.290 nan 0.000 0.529 182 L N 0.438 121.451 121.223 -0.350 0.000 2.049 182 L HA 0.203 4.543 4.340 -0.001 0.000 0.203 182 L C 1.966 178.703 176.870 -0.222 0.000 1.074 182 L CA 1.936 56.660 54.840 -0.194 0.000 0.749 182 L CB -0.378 41.590 42.059 -0.152 0.000 0.907 182 L HN 0.583 nan 8.230 nan 0.000 0.439 183 T N -3.948 110.365 114.554 -0.401 0.000 2.924 183 T HA 0.482 4.832 4.350 -0.001 0.000 0.291 183 T C -1.367 172.992 174.700 -0.567 0.000 1.045 183 T CA -0.652 61.282 62.100 -0.277 0.000 1.015 183 T CB 1.798 70.584 68.868 -0.137 0.000 1.103 183 T HN 0.051 nan 8.240 nan 0.000 0.496 184 W N 0.062 121.310 121.300 -0.087 0.000 3.032 184 W HA 0.651 5.310 4.660 -0.001 0.000 0.335 184 W C -0.536 175.828 176.519 -0.257 0.000 1.154 184 W CA -0.725 56.499 57.345 -0.202 0.000 1.204 184 W CB 2.356 31.640 29.460 -0.293 0.000 1.416 184 W HN 0.699 nan 8.180 nan 0.000 0.521 185 S N 1.644 117.307 115.700 -0.063 0.000 2.472 185 S HA 0.499 4.969 4.470 -0.001 0.000 0.303 185 S C -0.866 173.611 174.600 -0.205 0.000 1.099 185 S CA -0.799 57.368 58.200 -0.055 0.000 1.077 185 S CB 0.821 64.023 63.200 0.002 0.000 1.031 185 S HN 0.343 nan 8.310 nan 0.000 0.487 186 H N 1.754 120.859 119.070 0.058 0.000 2.573 186 H HA 0.620 5.176 4.556 -0.001 0.000 0.351 186 H C -0.273 175.060 175.328 0.009 0.000 1.163 186 H CA -0.705 55.352 56.048 0.015 0.000 1.205 186 H CB 1.557 31.290 29.762 -0.048 0.000 1.605 186 H HN 0.402 nan 8.280 nan 0.000 0.525 187 R N 0.324 120.886 120.500 0.104 0.000 2.584 187 R HA 0.276 4.615 4.340 -0.001 0.000 0.276 187 R C -1.088 175.247 176.300 0.059 0.000 1.046 187 R CA -0.543 55.602 56.100 0.076 0.000 0.906 187 R CB 2.262 32.613 30.300 0.086 0.000 1.215 187 R HN 0.500 nan 8.270 nan 0.000 0.449 188 T N 3.823 118.416 114.554 0.065 0.000 2.744 188 T HA 0.294 4.643 4.350 -0.001 0.000 0.291 188 T C 0.953 175.716 174.700 0.105 0.000 0.957 188 T CA -0.407 61.749 62.100 0.094 0.000 1.002 188 T CB 0.392 69.291 68.868 0.051 0.000 0.919 188 T HN 0.596 nan 8.240 nan 0.000 0.468 189 I N 0.075 120.720 120.570 0.125 0.000 3.927 189 I HA 0.229 4.399 4.170 -0.001 0.000 0.332 189 I C 1.571 177.764 176.117 0.127 0.000 1.485 189 I CA -0.475 60.897 61.300 0.121 0.000 1.131 189 I CB -0.247 37.815 38.000 0.103 0.000 1.092 189 I HN 0.381 nan 8.210 nan 0.000 0.410 190 T N 1.830 116.496 114.554 0.186 0.000 2.653 190 T HA -0.258 4.092 4.350 -0.001 0.000 0.268 190 T C 2.178 176.954 174.700 0.127 0.000 1.035 190 T CA 2.283 64.497 62.100 0.191 0.000 1.154 190 T CB -0.248 68.823 68.868 0.338 0.000 0.862 190 T HN 0.629 nan 8.240 nan 0.000 0.441 191 A N 2.079 124.973 122.820 0.124 0.000 1.908 191 A HA -0.177 4.143 4.320 -0.001 0.000 0.218 191 A C 2.091 179.706 177.584 0.051 0.000 1.181 191 A CA 1.838 53.923 52.037 0.079 0.000 0.627 191 A CB -0.648 18.397 19.000 0.075 0.000 0.818 191 A HN 0.405 nan 8.150 nan 0.000 0.445 192 D N -0.078 120.360 120.400 0.063 0.000 2.219 192 D HA -0.092 4.547 4.640 -0.001 0.000 0.205 192 D C 1.485 177.798 176.300 0.022 0.000 0.970 192 D CA 1.524 55.553 54.000 0.050 0.000 0.851 192 D CB -0.270 40.587 40.800 0.095 0.000 0.943 192 D HN 0.766 nan 8.370 nan 0.000 0.488 193 I N -2.343 118.236 120.570 0.015 0.000 3.877 193 I HA 0.247 4.417 4.170 -0.001 0.000 0.332 193 I C -0.438 175.705 176.117 0.044 0.000 1.525 193 I CA -0.143 61.144 61.300 -0.022 0.000 1.146 193 I CB 0.425 38.338 38.000 -0.145 0.000 1.137 193 I HN -0.369 nan 8.210 nan 0.000 0.424 194 T N 3.617 118.188 114.554 0.029 0.000 3.401 194 T HA 0.335 4.684 4.350 -0.001 0.000 0.341 194 T C -1.497 173.093 174.700 -0.184 0.000 1.674 194 T CA -0.674 61.428 62.100 0.003 0.000 1.600 194 T CB 0.863 69.764 68.868 0.056 0.000 0.974 194 T HN 0.236 nan 8.240 nan 0.000 0.672 195 P HA 0.024 nan 4.420 nan 0.000 0.223 195 P C 0.085 177.125 177.300 -0.433 0.000 1.151 195 P CA 0.792 63.725 63.100 -0.278 0.000 0.787 195 P CB 0.393 31.972 31.700 -0.201 0.000 0.788 196 D N 0.676 120.577 120.400 -0.831 0.000 2.349 196 D HA 0.133 4.772 4.640 -0.001 0.000 0.232 196 D C -1.551 174.430 176.300 -0.533 0.000 1.071 196 D CA -2.582 50.922 54.000 -0.828 0.000 0.832 196 D CB 1.747 41.603 40.800 -1.573 0.000 1.086 196 D HN -0.038 nan 8.370 nan 0.000 0.504 197 P HA -0.056 nan 4.420 nan 0.000 0.226 197 P C 1.148 178.423 177.300 -0.042 0.000 1.146 197 P CA 0.505 63.534 63.100 -0.118 0.000 0.773 197 P CB 0.298 31.949 31.700 -0.082 0.000 0.772 198 G N -1.315 107.460 108.800 -0.041 0.000 2.511 198 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.217 198 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.217 198 G C 0.394 175.460 174.900 0.277 0.000 1.133 198 G CA -0.415 44.743 45.100 0.097 0.000 0.792 198 G HN 0.278 nan 8.290 nan 0.000 0.539 199 W N 1.858 123.154 121.300 -0.006 0.000 2.692 199 W HA 0.208 4.867 4.660 -0.001 0.000 0.339 199 W C 1.549 178.051 176.519 -0.027 0.000 1.415 199 W CA -1.036 56.303 57.345 -0.010 0.000 1.389 199 W CB 0.462 29.919 29.460 -0.006 0.000 1.492 199 W HN 0.213 nan 8.180 nan 0.000 0.545 200 R N 1.505 122.101 120.500 0.159 0.000 2.312 200 R HA 0.227 4.567 4.340 -0.001 0.000 0.205 200 R C 0.387 176.677 176.300 -0.018 0.000 0.904 200 R CA 0.012 56.141 56.100 0.047 0.000 1.052 200 R CB 0.682 30.983 30.300 0.002 0.000 1.014 200 R HN 0.157 nan 8.270 nan 0.000 0.503 201 S N 0.133 115.820 115.700 -0.021 0.000 2.567 201 S HA 0.549 5.018 4.470 -0.001 0.000 0.270 201 S C -1.961 172.717 174.600 0.131 0.000 1.152 201 S CA -0.979 57.205 58.200 -0.027 0.000 0.835 201 S CB 1.420 64.440 63.200 -0.299 0.000 1.115 201 S HN 0.477 nan 8.310 nan 0.000 0.459 202 R N 1.047 121.748 120.500 0.335 0.000 2.709 202 R HA 0.621 4.960 4.340 -0.001 0.000 0.270 202 R C -2.172 174.450 176.300 0.536 0.000 1.038 202 R CA -0.759 55.601 56.100 0.433 0.000 0.872 202 R CB 0.328 30.781 30.300 0.256 0.000 1.259 202 R HN 0.908 nan 8.270 nan 0.000 0.473 203 F N -0.855 119.179 119.950 0.138 0.000 2.635 203 F HA 0.768 5.294 4.527 -0.001 0.000 0.314 203 F C -1.316 174.262 175.800 -0.370 0.000 1.119 203 F CA -0.767 57.194 58.000 -0.064 0.000 1.000 203 F CB 1.355 40.229 39.000 -0.211 0.000 1.278 203 F HN 0.856 nan 8.300 nan 0.000 0.446 204 A N 2.528 124.914 122.820 -0.724 0.000 2.477 204 A HA 0.652 4.971 4.320 -0.001 0.000 0.246 204 A C 0.373 177.544 177.584 -0.687 0.000 1.078 204 A CA -0.053 51.242 52.037 -1.237 0.000 0.770 204 A CB -0.252 18.150 19.000 -0.997 0.000 1.011 204 A HN 1.766 nan 8.150 nan 0.000 0.494 205 A N 3.308 125.722 122.820 -0.676 0.000 2.451 205 A HA 0.492 4.811 4.320 -0.001 0.000 0.266 205 A C 0.983 178.428 177.584 -0.232 0.000 1.119 205 A CA 0.264 52.036 52.037 -0.442 0.000 0.786 205 A CB -0.546 18.222 19.000 -0.385 0.000 1.061 205 A HN 1.764 nan 8.150 nan 0.000 0.503 206 S N 2.423 118.076 115.700 -0.079 0.000 2.568 206 S HA 0.627 5.096 4.470 -0.001 0.000 0.282 206 S C 0.845 175.441 174.600 -0.006 0.000 1.338 206 S CA 0.176 58.379 58.200 0.006 0.000 1.045 206 S CB 1.020 64.298 63.200 0.131 0.000 0.873 206 S HN 2.401 nan 8.310 nan 0.000 0.516 207 G N 1.239 110.060 108.800 0.035 0.000 2.174 207 G HA2 0.158 4.118 3.960 -0.001 0.000 0.070 207 G HA3 0.158 4.118 3.960 -0.001 0.000 0.070 207 G C -1.167 173.804 174.900 0.118 0.000 1.120 207 G CA -0.162 44.978 45.100 0.066 0.000 1.194 207 G HN 1.001 nan 8.290 nan 0.000 0.435 208 E N -0.233 120.031 120.200 0.107 0.000 2.304 208 E HA 0.544 4.893 4.350 -0.001 0.000 0.277 208 E C 0.268 176.936 176.600 0.112 0.000 0.898 208 E CA -0.160 56.340 56.400 0.167 0.000 0.764 208 E CB 1.402 31.222 29.700 0.201 0.000 1.216 208 E HN 0.947 nan 8.360 nan 0.000 0.419 209 G N 2.974 111.853 108.800 0.133 0.000 2.525 209 G HA2 0.628 4.588 3.960 -0.001 0.000 0.287 209 G HA3 0.628 4.588 3.960 -0.001 0.000 0.287 209 G C 0.007 174.986 174.900 0.132 0.000 1.350 209 G CA -0.412 44.744 45.100 0.093 0.000 1.039 209 G HN 0.599 nan 8.290 nan 0.000 0.513 210 I N -3.969 116.673 120.570 0.120 0.000 3.264 210 I HA 0.718 4.888 4.170 -0.001 0.000 0.315 210 I C -1.154 175.039 176.117 0.127 0.000 1.154 210 I CA -1.191 60.179 61.300 0.117 0.000 0.962 210 I CB 2.510 40.559 38.000 0.081 0.000 1.265 210 I HN 0.485 nan 8.210 nan 0.000 0.463 211 Q N 2.662 122.525 119.800 0.104 0.000 2.292 211 Q HA 0.531 4.871 4.340 -0.001 0.000 0.270 211 Q C -1.741 174.284 176.000 0.041 0.000 1.024 211 Q CA -0.766 55.095 55.803 0.097 0.000 0.768 211 Q CB 2.216 31.033 28.738 0.132 0.000 1.250 211 Q HN 0.741 nan 8.270 nan 0.000 0.447 212 L N 3.845 125.084 121.223 0.027 0.000 2.490 212 L HA 0.154 4.494 4.340 -0.001 0.000 0.274 212 L C 1.102 177.951 176.870 -0.035 0.000 1.201 212 L CA -0.179 54.654 54.840 -0.010 0.000 0.869 212 L CB 0.298 42.379 42.059 0.037 0.000 1.123 212 L HN 0.672 nan 8.230 nan 0.000 0.484 213 R N 1.718 122.119 120.500 -0.165 0.000 2.279 213 R HA 0.171 4.511 4.340 -0.001 0.000 0.195 213 R C -0.310 175.985 176.300 -0.008 0.000 0.905 213 R CA 0.402 56.407 56.100 -0.158 0.000 1.044 213 R CB 0.062 30.167 30.300 -0.325 0.000 1.056 213 R HN 0.397 nan 8.270 nan 0.000 0.535 214 Y N 0.130 120.468 120.300 0.063 0.000 2.602 214 Y HA 0.596 5.146 4.550 -0.001 0.000 0.330 214 Y C 1.402 177.325 175.900 0.038 0.000 1.114 214 Y CA -1.056 57.072 58.100 0.047 0.000 1.182 214 Y CB 0.012 38.500 38.460 0.046 0.000 1.305 214 Y HN 0.313 nan 8.280 nan 0.000 0.502 215 G N 0.958 109.881 108.800 0.205 0.000 2.692 215 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.248 215 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.248 215 G C -1.585 173.316 174.900 0.001 0.000 1.340 215 G CA -0.297 44.852 45.100 0.082 0.000 0.896 215 G HN 0.586 nan 8.290 nan 0.000 0.570 216 P HA -0.056 nan 4.420 nan 0.000 0.222 216 P C 0.750 177.803 177.300 -0.411 0.000 1.147 216 P CA 1.842 64.772 63.100 -0.283 0.000 0.790 216 P CB -0.127 31.332 31.700 -0.402 0.000 0.780 217 H N -0.766 118.317 119.070 0.022 0.000 2.486 217 H HA 0.477 5.033 4.556 -0.001 0.000 0.284 217 H C 0.648 175.984 175.328 0.013 0.000 1.103 217 H CA -0.487 55.565 56.048 0.007 0.000 1.089 217 H CB 0.010 29.766 29.762 -0.009 0.000 1.603 217 H HN 0.108 nan 8.280 nan 0.000 0.557 218 A N 0.689 123.560 122.820 0.085 0.000 2.565 218 A HA 0.355 4.675 4.320 -0.001 0.000 0.237 218 A C 1.665 179.290 177.584 0.068 0.000 1.053 218 A CA 1.052 53.136 52.037 0.079 0.000 0.755 218 A CB -0.497 18.552 19.000 0.082 0.000 0.980 218 A HN 0.738 nan 8.150 nan 0.000 0.506 219 G N 1.293 110.133 108.800 0.067 0.000 2.254 219 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.225 219 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.225 219 G C 0.579 175.485 174.900 0.009 0.000 1.003 219 G CA 0.390 45.530 45.100 0.067 0.000 0.622 219 G HN 1.123 nan 8.290 nan 0.000 0.507 220 R N 0.979 121.488 120.500 0.014 0.000 2.522 220 R HA 0.433 4.773 4.340 -0.001 0.000 0.284 220 R C 0.099 176.416 176.300 0.029 0.000 1.032 220 R CA -0.072 56.025 56.100 -0.005 0.000 1.049 220 R CB -0.005 30.292 30.300 -0.005 0.000 0.956 220 R HN 0.304 nan 8.270 nan 0.000 0.422 221 L N 6.578 127.824 121.223 0.037 0.000 2.289 221 L HA 0.440 4.779 4.340 -0.001 0.000 0.285 221 L C -0.174 176.825 176.870 0.216 0.000 1.049 221 L CA -0.553 54.376 54.840 0.148 0.000 0.804 221 L CB 1.315 43.476 42.059 0.169 0.000 1.195 221 L HN 0.574 nan 8.230 nan 0.000 0.428 222 I N 3.413 124.090 120.570 0.177 0.000 2.466 222 I HA 0.353 4.523 4.170 -0.001 0.000 0.289 222 I C -0.563 175.593 176.117 0.065 0.000 1.026 222 I CA -0.520 60.857 61.300 0.128 0.000 1.078 222 I CB 2.009 40.004 38.000 -0.009 0.000 1.249 222 I HN 0.538 nan 8.210 nan 0.000 0.429 223 Q N 5.506 125.300 119.800 -0.009 0.000 2.321 223 Q HA 0.365 4.704 4.340 -0.001 0.000 0.270 223 Q C -1.222 174.703 176.000 -0.125 0.000 1.032 223 Q CA -0.800 54.858 55.803 -0.240 0.000 0.784 223 Q CB 2.625 30.864 28.738 -0.831 0.000 1.264 223 Q HN 0.480 nan 8.270 nan 0.000 0.448 224 Q N 2.322 122.019 119.800 -0.172 0.000 2.299 224 Q HA 0.369 4.709 4.340 -0.001 0.000 0.246 224 Q C -0.885 174.959 176.000 -0.260 0.000 0.935 224 Q CA 0.102 55.830 55.803 -0.126 0.000 0.887 224 Q CB 0.819 29.462 28.738 -0.158 0.000 1.223 224 Q HN 0.478 nan 8.270 nan 0.000 0.439 225 Y N -0.779 119.354 120.300 -0.279 0.000 2.605 225 Y HA 0.422 4.972 4.550 -0.001 0.000 0.343 225 Y C -0.052 175.615 175.900 -0.388 0.000 1.036 225 Y CA -0.643 57.246 58.100 -0.352 0.000 1.065 225 Y CB 2.309 40.627 38.460 -0.236 0.000 1.288 225 Y HN 0.356 nan 8.280 nan 0.000 0.481 226 T N 3.621 117.953 114.554 -0.370 0.000 2.841 226 T HA 0.715 5.065 4.350 -0.001 0.000 0.283 226 T C -0.922 173.712 174.700 -0.110 0.000 1.000 226 T CA -0.501 61.403 62.100 -0.327 0.000 0.977 226 T CB 0.768 69.307 68.868 -0.548 0.000 0.979 226 T HN 0.484 nan 8.240 nan 0.000 0.446 227 I N -0.475 120.021 120.570 -0.124 0.000 3.002 227 I HA 0.753 4.923 4.170 -0.001 0.000 0.310 227 I C -1.244 174.754 176.117 -0.198 0.000 1.087 227 I CA -1.353 59.851 61.300 -0.160 0.000 1.017 227 I CB 1.716 39.356 38.000 -0.601 0.000 1.226 227 I HN 0.534 nan 8.210 nan 0.000 0.443 228 I N 3.482 123.908 120.570 -0.239 0.000 2.389 228 I HA 0.364 4.534 4.170 -0.001 0.000 0.288 228 I C -0.554 175.501 176.117 -0.104 0.000 0.999 228 I CA -0.639 60.528 61.300 -0.220 0.000 1.129 228 I CB 1.394 39.167 38.000 -0.379 0.000 1.288 228 I HN 0.820 nan 8.210 nan 0.000 0.444 229 N N 5.345 124.024 118.700 -0.035 0.000 2.366 229 N HA 0.286 5.025 4.740 -0.001 0.000 0.277 229 N C 1.007 176.595 175.510 0.129 0.000 1.275 229 N CA -0.234 52.884 53.050 0.113 0.000 0.964 229 N CB 0.452 39.021 38.487 0.138 0.000 1.167 229 N HN 0.567 nan 8.380 nan 0.000 0.568 230 A N -0.708 122.214 122.820 0.170 0.000 1.940 230 A HA -0.017 4.303 4.320 -0.001 0.000 0.219 230 A C 2.076 179.705 177.584 0.075 0.000 1.176 230 A CA 2.193 54.294 52.037 0.107 0.000 0.631 230 A CB -1.540 17.521 19.000 0.102 0.000 0.814 230 A HN 0.870 nan 8.150 nan 0.000 0.446 231 A N -2.175 120.693 122.820 0.080 0.000 2.167 231 A HA 0.384 4.703 4.320 -0.001 0.000 0.214 231 A C 1.854 179.471 177.584 0.056 0.000 1.151 231 A CA 1.377 53.450 52.037 0.060 0.000 0.735 231 A CB -0.765 18.272 19.000 0.060 0.000 0.802 231 A HN 1.925 nan 8.150 nan 0.000 0.467 232 G N -2.440 106.401 108.800 0.070 0.000 2.144 232 G HA2 0.155 4.115 3.960 -0.001 0.000 0.218 232 G HA3 0.155 4.115 3.960 -0.001 0.000 0.218 232 G C 0.314 175.305 174.900 0.152 0.000 0.988 232 G CA 0.182 45.334 45.100 0.087 0.000 0.659 232 G HN 1.505 nan 8.290 nan 0.000 0.522 233 A N 0.084 122.986 122.820 0.137 0.000 2.354 233 A HA 0.724 5.043 4.320 -0.001 0.000 0.269 233 A C -0.172 177.604 177.584 0.320 0.000 1.109 233 A CA -0.257 51.881 52.037 0.168 0.000 0.800 233 A CB 0.304 19.360 19.000 0.093 0.000 1.045 233 A HN 0.576 nan 8.150 nan 0.000 0.489 234 F N 1.374 121.327 119.950 0.005 0.000 2.411 234 F HA 0.379 4.905 4.527 -0.001 0.000 0.355 234 F C 0.897 176.687 175.800 -0.017 0.000 1.117 234 F CA -0.217 57.806 58.000 0.038 0.000 1.139 234 F CB 0.975 40.038 39.000 0.106 0.000 1.120 234 F HN 0.593 nan 8.300 nan 0.000 0.493 235 Q N 1.562 121.391 119.800 0.049 0.000 2.458 235 Q HA 0.845 5.185 4.340 -0.001 0.000 0.282 235 Q C -1.003 174.934 176.000 -0.105 0.000 1.106 235 Q CA -1.410 54.366 55.803 -0.046 0.000 0.814 235 Q CB 2.771 31.423 28.738 -0.142 0.000 1.425 235 Q HN 0.649 nan 8.270 nan 0.000 0.437 236 A N 0.768 123.526 122.820 -0.103 0.000 2.312 236 A HA 0.806 5.126 4.320 -0.001 0.000 0.328 236 A C -1.112 176.410 177.584 -0.104 0.000 1.158 236 A CA -0.584 51.374 52.037 -0.132 0.000 0.821 236 A CB 1.574 20.478 19.000 -0.160 0.000 1.170 236 A HN 0.387 nan 8.150 nan 0.000 0.490 237 V N 1.309 121.185 119.914 -0.064 0.000 2.924 237 V HA 0.525 4.645 4.120 -0.001 0.000 0.300 237 V C -0.488 175.669 176.094 0.106 0.000 1.227 237 V CA -0.401 61.927 62.300 0.046 0.000 0.954 237 V CB 2.436 34.280 31.823 0.034 0.000 1.055 237 V HN 0.982 nan 8.190 nan 0.000 0.429 238 S N 4.286 120.119 115.700 0.222 0.000 2.513 238 S HA 0.627 5.097 4.470 -0.001 0.000 0.276 238 S C -0.429 174.324 174.600 0.255 0.000 1.254 238 S CA -0.337 58.002 58.200 0.232 0.000 1.053 238 S CB 1.406 64.767 63.200 0.268 0.000 0.958 238 S HN 0.651 nan 8.310 nan 0.000 0.491 239 V N 5.374 125.403 119.914 0.191 0.000 2.398 239 V HA 0.578 4.697 4.120 -0.001 0.000 0.286 239 V C -0.784 175.486 176.094 0.295 0.000 1.026 239 V CA -0.491 61.876 62.300 0.111 0.000 0.868 239 V CB 0.591 32.364 31.823 -0.082 0.000 0.982 239 V HN 0.869 nan 8.190 nan 0.000 0.443 240 Y N 2.201 122.628 120.300 0.212 0.000 2.644 240 Y HA 0.855 5.405 4.550 -0.001 0.000 0.338 240 Y C -0.441 175.460 175.900 0.003 0.000 1.119 240 Y CA -1.310 56.891 58.100 0.169 0.000 1.060 240 Y CB 1.966 40.410 38.460 -0.027 0.000 1.294 240 Y HN 0.422 nan 8.280 nan 0.000 0.472 241 S N 0.127 115.757 115.700 -0.117 0.000 2.571 241 S HA 0.387 4.857 4.470 -0.001 0.000 0.284 241 S C -1.134 173.317 174.600 -0.248 0.000 1.128 241 S CA -0.625 57.270 58.200 -0.509 0.000 0.970 241 S CB 1.127 63.474 63.200 -1.422 0.000 1.039 241 S HN 0.765 nan 8.310 nan 0.000 0.485 242 D N 2.262 122.557 120.400 -0.176 0.000 2.398 242 D HA 0.142 4.781 4.640 -0.001 0.000 0.210 242 D C -0.083 176.067 176.300 -0.251 0.000 1.094 242 D CA 0.288 54.206 54.000 -0.138 0.000 0.839 242 D CB 0.498 41.300 40.800 0.003 0.000 0.963 242 D HN 0.747 nan 8.370 nan 0.000 0.506 243 D N -1.442 118.781 120.400 -0.295 0.000 2.788 243 D HA 0.044 4.683 4.640 -0.001 0.000 0.289 243 D C -0.306 175.911 176.300 -0.138 0.000 1.340 243 D CA -0.773 53.100 54.000 -0.211 0.000 0.831 243 D CB -0.874 39.866 40.800 -0.099 0.000 1.103 243 D HN -0.009 nan 8.370 nan 0.000 0.476 244 H N -0.508 118.512 119.070 -0.083 0.000 2.839 244 H HA -0.064 4.491 4.556 -0.001 0.000 0.298 244 H C 1.457 176.825 175.328 0.067 0.000 1.224 244 H CA 0.989 57.048 56.048 0.018 0.000 1.144 244 H CB -1.416 28.395 29.762 0.082 0.000 1.372 244 H HN 0.594 nan 8.280 nan 0.000 0.408 245 G N -1.117 107.520 108.800 -0.272 0.000 2.176 245 G HA2 -0.353 3.607 3.960 -0.001 0.000 0.232 245 G HA3 -0.353 3.607 3.960 -0.001 0.000 0.232 245 G C 1.284 176.108 174.900 -0.126 0.000 0.986 245 G CA 0.366 45.266 45.100 -0.334 0.000 0.643 245 G HN 0.528 nan 8.290 nan 0.000 0.522 246 R N 0.409 120.838 120.500 -0.117 0.000 2.066 246 R HA 0.087 4.426 4.340 -0.001 0.000 0.232 246 R C 1.396 177.649 176.300 -0.079 0.000 1.131 246 R CA 1.800 57.886 56.100 -0.022 0.000 0.955 246 R CB -0.271 30.026 30.300 -0.005 0.000 0.851 246 R HN 0.667 nan 8.270 nan 0.000 0.432 247 T N -2.586 111.817 114.554 -0.252 0.000 2.876 247 T HA 0.459 4.808 4.350 -0.001 0.000 0.289 247 T C -1.176 173.267 174.700 -0.428 0.000 1.014 247 T CA -0.880 61.108 62.100 -0.186 0.000 0.986 247 T CB 1.567 70.374 68.868 -0.102 0.000 1.021 247 T HN 0.137 nan 8.240 nan 0.000 0.458 248 W N 2.152 123.419 121.300 -0.055 0.000 2.666 248 W HA 0.721 5.380 4.660 -0.001 0.000 0.334 248 W C 0.361 176.775 176.519 -0.174 0.000 1.051 248 W CA -0.861 56.422 57.345 -0.102 0.000 1.224 248 W CB 1.808 31.255 29.460 -0.022 0.000 1.405 248 W HN 0.934 nan 8.180 nan 0.000 0.513 249 R N 1.362 121.788 120.500 -0.123 0.000 2.774 249 R HA 0.942 5.282 4.340 -0.001 0.000 0.272 249 R C -1.168 174.916 176.300 -0.360 0.000 1.000 249 R CA -1.200 54.753 56.100 -0.245 0.000 0.906 249 R CB 1.338 31.459 30.300 -0.299 0.000 1.227 249 R HN 0.465 nan 8.270 nan 0.000 0.468 250 A N 0.943 123.659 122.820 -0.173 0.000 2.303 250 A HA 0.704 5.024 4.320 -0.001 0.000 0.317 250 A C 0.257 177.894 177.584 0.089 0.000 1.149 250 A CA -0.063 51.956 52.037 -0.031 0.000 0.822 250 A CB 1.136 20.193 19.000 0.094 0.000 1.131 250 A HN 0.869 nan 8.150 nan 0.000 0.493 251 G N -0.170 108.802 108.800 0.285 0.000 2.574 251 G HA2 0.488 4.448 3.960 -0.001 0.000 0.248 251 G HA3 0.488 4.448 3.960 -0.001 0.000 0.248 251 G C -0.369 174.715 174.900 0.307 0.000 1.422 251 G CA -0.394 44.942 45.100 0.393 0.000 1.051 251 G HN 0.764 nan 8.290 nan 0.000 0.560 252 E N -0.516 119.856 120.200 0.287 0.000 2.283 252 E HA 0.515 4.865 4.350 -0.001 0.000 0.278 252 E C 0.463 177.234 176.600 0.285 0.000 1.027 252 E CA -0.273 56.291 56.400 0.274 0.000 0.843 252 E CB 1.245 31.067 29.700 0.203 0.000 1.062 252 E HN 0.606 nan 8.360 nan 0.000 0.401 253 A N 2.748 125.743 122.820 0.292 0.000 2.425 253 A HA 0.416 4.736 4.320 -0.001 0.000 0.242 253 A C -0.549 177.108 177.584 0.121 0.000 1.077 253 A CA -0.415 51.701 52.037 0.132 0.000 0.781 253 A CB 0.376 19.353 19.000 -0.039 0.000 1.020 253 A HN 0.410 nan 8.150 nan 0.000 0.494 254 V N 0.234 120.181 119.914 0.055 0.000 2.876 254 V HA 0.842 4.962 4.120 -0.001 0.000 0.312 254 V C 0.688 176.789 176.094 0.013 0.000 1.085 254 V CA -0.165 62.169 62.300 0.057 0.000 0.945 254 V CB 0.545 32.397 31.823 0.049 0.000 1.017 254 V HN 2.476 nan 8.190 nan 0.000 0.428 255 G N 0.996 109.815 108.800 0.032 0.000 2.806 255 G HA2 0.129 4.088 3.960 -0.001 0.000 0.236 255 G HA3 0.129 4.088 3.960 -0.001 0.000 0.236 255 G C -0.668 174.251 174.900 0.031 0.000 1.387 255 G CA 0.197 45.313 45.100 0.026 0.000 0.884 255 G HN 1.850 nan 8.290 nan 0.000 0.560 256 V N -0.567 119.368 119.914 0.035 0.000 3.114 256 V HA 0.801 4.921 4.120 -0.001 0.000 0.308 256 V C 1.223 177.340 176.094 0.040 0.000 1.168 256 V CA 1.326 63.652 62.300 0.043 0.000 1.015 256 V CB 1.433 33.275 31.823 0.032 0.000 1.050 256 V HN 3.115 nan 8.190 nan 0.000 0.433 257 G N 4.635 113.459 108.800 0.040 0.000 2.249 257 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.273 257 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.273 257 G C -0.044 174.895 174.900 0.064 0.000 1.036 257 G CA 0.796 45.902 45.100 0.011 0.000 0.824 257 G HN 0.644 nan 8.290 nan 0.000 0.504 258 M N -0.599 119.077 119.600 0.128 0.000 2.363 258 M HA 0.690 5.170 4.480 -0.001 0.000 0.280 258 M C 0.589 177.008 176.300 0.198 0.000 1.182 258 M CA -0.539 54.825 55.300 0.107 0.000 0.974 258 M CB 0.867 33.496 32.600 0.048 0.000 1.452 258 M HN 0.291 nan 8.290 nan 0.000 0.507 259 D N -0.922 119.529 120.400 0.086 0.000 3.734 259 D HA 0.139 4.778 4.640 -0.001 0.000 0.350 259 D C -1.271 174.958 176.300 -0.118 0.000 1.511 259 D CA -0.409 53.635 54.000 0.073 0.000 0.956 259 D CB 0.667 41.559 40.800 0.153 0.000 1.470 259 D HN 0.533 nan 8.370 nan 0.000 0.598 260 E N 0.452 120.555 120.200 -0.161 0.000 2.608 260 E HA 0.167 4.516 4.350 -0.001 0.000 0.259 260 E C -0.369 176.113 176.600 -0.197 0.000 0.951 260 E CA 0.814 57.053 56.400 -0.269 0.000 0.945 260 E CB -0.108 29.457 29.700 -0.224 0.000 0.916 260 E HN 0.310 nan 8.360 nan 0.000 0.477 261 N N 1.370 119.939 118.700 -0.219 0.000 2.329 261 N HA 0.450 5.189 4.740 -0.001 0.000 0.282 261 N C -1.397 174.033 175.510 -0.133 0.000 1.198 261 N CA -1.113 51.848 53.050 -0.149 0.000 0.790 261 N CB 1.628 40.024 38.487 -0.152 0.000 1.579 261 N HN 0.018 nan 8.380 nan 0.000 0.475 262 K N 0.161 120.519 120.400 -0.069 0.000 2.395 262 K HA 0.664 4.983 4.320 -0.001 0.000 0.247 262 K C -0.935 175.673 176.600 0.014 0.000 0.973 262 K CA -0.603 55.666 56.287 -0.031 0.000 0.828 262 K CB 1.917 34.420 32.500 0.004 0.000 1.272 262 K HN 0.891 nan 8.250 nan 0.000 0.439 263 T N -2.318 112.261 114.554 0.042 0.000 2.907 263 T HA 0.782 5.131 4.350 -0.001 0.000 0.292 263 T C -0.209 174.557 174.700 0.110 0.000 1.043 263 T CA -0.824 61.332 62.100 0.094 0.000 1.003 263 T CB 1.428 70.368 68.868 0.119 0.000 1.084 263 T HN 0.290 nan 8.240 nan 0.000 0.483 264 V N -0.969 119.027 119.914 0.136 0.000 3.049 264 V HA 0.659 4.779 4.120 -0.001 0.000 0.309 264 V C -0.653 175.517 176.094 0.127 0.000 1.148 264 V CA -1.201 61.175 62.300 0.127 0.000 0.990 264 V CB 1.818 33.730 31.823 0.147 0.000 1.039 264 V HN 1.122 nan 8.190 nan 0.000 0.430 265 E N 2.288 122.545 120.200 0.095 0.000 2.146 265 E HA 0.565 4.915 4.350 -0.001 0.000 0.282 265 E C -0.879 175.795 176.600 0.123 0.000 0.989 265 E CA -0.551 55.903 56.400 0.090 0.000 0.799 265 E CB 1.158 30.858 29.700 -0.001 0.000 1.088 265 E HN 0.654 nan 8.360 nan 0.000 0.397 266 L N 2.678 123.994 121.223 0.156 0.000 2.479 266 L HA 0.080 4.419 4.340 -0.001 0.000 0.248 266 L C 1.924 178.946 176.870 0.254 0.000 1.205 266 L CA -0.094 54.844 54.840 0.163 0.000 0.817 266 L CB 0.750 42.881 42.059 0.120 0.000 1.162 266 L HN 0.709 nan 8.230 nan 0.000 0.486 267 S N -0.681 115.140 115.700 0.202 0.000 2.465 267 S HA -0.172 4.297 4.470 -0.001 0.000 0.241 267 S C 0.900 175.547 174.600 0.079 0.000 1.000 267 S CA 1.226 59.545 58.200 0.198 0.000 0.964 267 S CB -0.472 62.784 63.200 0.093 0.000 0.763 267 S HN 0.843 nan 8.310 nan 0.000 0.512 268 D N -0.773 119.682 120.400 0.091 0.000 2.395 268 D HA 0.340 4.980 4.640 -0.001 0.000 0.213 268 D C 1.360 177.719 176.300 0.098 0.000 1.110 268 D CA 0.403 54.419 54.000 0.026 0.000 0.835 268 D CB -0.314 40.495 40.800 0.015 0.000 0.965 268 D HN 0.529 nan 8.370 nan 0.000 0.505 269 G N 0.489 109.448 108.800 0.265 0.000 2.217 269 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.246 269 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.246 269 G C 0.398 175.401 174.900 0.172 0.000 0.990 269 G CA -0.160 45.117 45.100 0.295 0.000 0.627 269 G HN 0.428 nan 8.290 nan 0.000 0.522 270 R N -0.089 120.485 120.500 0.124 0.000 2.643 270 R HA 0.440 4.779 4.340 -0.001 0.000 0.270 270 R C 0.006 176.377 176.300 0.118 0.000 1.061 270 R CA -0.017 56.134 56.100 0.084 0.000 1.107 270 R CB 1.086 31.424 30.300 0.062 0.000 0.999 270 R HN 0.089 nan 8.270 nan 0.000 0.460 271 V N 4.638 124.624 119.914 0.120 0.000 2.347 271 V HA 0.156 4.275 4.120 -0.001 0.000 0.280 271 V C -0.403 175.842 176.094 0.252 0.000 1.021 271 V CA -0.697 61.724 62.300 0.201 0.000 0.847 271 V CB 1.262 33.270 31.823 0.308 0.000 0.990 271 V HN 0.435 nan 8.190 nan 0.000 0.444 272 L N 6.570 127.925 121.223 0.219 0.000 2.276 272 L HA 0.564 4.903 4.340 -0.001 0.000 0.286 272 L C -0.555 176.437 176.870 0.204 0.000 1.061 272 L CA 0.164 55.130 54.840 0.210 0.000 0.807 272 L CB 1.140 43.298 42.059 0.165 0.000 1.177 272 L HN 0.657 nan 8.230 nan 0.000 0.429 273 L N 5.682 127.003 121.223 0.164 0.000 2.295 273 L HA 0.523 4.863 4.340 -0.001 0.000 0.285 273 L C -0.857 176.022 176.870 0.015 0.000 1.035 273 L CA -0.263 54.583 54.840 0.009 0.000 0.806 273 L CB 1.141 43.020 42.059 -0.299 0.000 1.214 273 L HN 0.859 nan 8.230 nan 0.000 0.426 274 N N 2.728 121.443 118.700 0.024 0.000 2.448 274 N HA 0.400 5.139 4.740 -0.001 0.000 0.279 274 N C -1.592 173.929 175.510 0.019 0.000 1.025 274 N CA -0.304 52.776 53.050 0.051 0.000 0.898 274 N CB 1.606 40.174 38.487 0.134 0.000 1.303 274 N HN 0.544 nan 8.380 nan 0.000 0.495 275 S N 1.978 117.679 115.700 0.002 0.000 2.566 275 S HA 0.443 4.913 4.470 -0.001 0.000 0.298 275 S C -0.698 173.905 174.600 0.004 0.000 1.083 275 S CA -0.861 57.328 58.200 -0.020 0.000 0.978 275 S CB 1.021 64.193 63.200 -0.046 0.000 1.073 275 S HN 0.615 nan 8.310 nan 0.000 0.491 276 R N 1.736 122.228 120.500 -0.014 0.000 2.594 276 R HA 0.155 4.495 4.340 -0.001 0.000 0.272 276 R C -1.096 175.218 176.300 0.023 0.000 1.074 276 R CA -0.108 55.993 56.100 0.001 0.000 1.105 276 R CB 0.417 30.706 30.300 -0.017 0.000 1.008 276 R HN 0.621 nan 8.270 nan 0.000 0.472 277 D N 1.768 122.186 120.400 0.030 0.000 2.412 277 D HA 0.051 4.690 4.640 -0.001 0.000 0.224 277 D C 0.679 176.998 176.300 0.032 0.000 1.093 277 D CA -0.259 53.761 54.000 0.033 0.000 0.850 277 D CB 1.430 42.251 40.800 0.034 0.000 1.046 277 D HN 0.556 nan 8.370 nan 0.000 0.507 278 S N 2.341 118.068 115.700 0.044 0.000 2.515 278 S HA -0.026 4.444 4.470 -0.001 0.000 0.231 278 S C 1.605 176.177 174.600 -0.046 0.000 0.987 278 S CA 0.426 58.637 58.200 0.019 0.000 0.936 278 S CB 0.084 63.305 63.200 0.035 0.000 0.766 278 S HN 0.391 nan 8.310 nan 0.000 0.528 279 A N 1.436 124.237 122.820 -0.032 0.000 2.251 279 A HA 0.364 4.683 4.320 -0.001 0.000 0.209 279 A C 0.856 178.428 177.584 -0.020 0.000 1.187 279 A CA -0.411 51.603 52.037 -0.038 0.000 0.823 279 A CB -0.551 18.433 19.000 -0.026 0.000 0.846 279 A HN 0.498 nan 8.150 nan 0.000 0.486 280 R N -0.382 120.110 120.500 -0.013 0.000 3.264 280 R HA -0.177 4.162 4.340 -0.001 0.000 0.251 280 R C 1.144 177.434 176.300 -0.016 0.000 0.971 280 R CA 0.518 56.608 56.100 -0.017 0.000 0.658 280 R CB -2.565 27.721 30.300 -0.024 0.000 1.095 280 R HN 0.771 nan 8.270 nan 0.000 0.443 281 S N -0.988 114.719 115.700 0.010 0.000 2.453 281 S HA 0.037 4.506 4.470 -0.001 0.000 0.231 281 S C 1.611 176.197 174.600 -0.024 0.000 1.005 281 S CA 0.777 59.007 58.200 0.051 0.000 0.949 281 S CB 0.554 63.837 63.200 0.138 0.000 0.774 281 S HN 1.094 nan 8.310 nan 0.000 0.510 282 G N -0.640 108.067 108.800 -0.154 0.000 2.163 282 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.213 282 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.213 282 G C -0.181 174.247 174.900 -0.787 0.000 0.991 282 G CA 0.114 44.952 45.100 -0.437 0.000 0.653 282 G HN 0.548 nan 8.290 nan 0.000 0.518 283 Y N -0.844 119.447 120.300 -0.016 0.000 2.677 283 Y HA 0.796 5.346 4.550 -0.000 0.000 0.334 283 Y C 0.449 176.336 175.900 -0.021 0.000 1.154 283 Y CA -1.417 56.667 58.100 -0.026 0.000 1.070 283 Y CB 0.735 39.175 38.460 -0.033 0.000 1.294 283 Y HN 0.011 nan 8.280 nan 0.000 0.475 284 R N 1.141 121.732 120.500 0.151 0.000 2.500 284 R HA 0.426 4.765 4.340 -0.001 0.000 0.275 284 R C -0.915 175.419 176.300 0.058 0.000 1.051 284 R CA -0.741 55.401 56.100 0.071 0.000 1.088 284 R CB 0.855 31.163 30.300 0.015 0.000 1.063 284 R HN 0.632 nan 8.270 nan 0.000 0.511 285 K N 0.754 121.177 120.400 0.037 0.000 2.156 285 K HA 0.481 4.800 4.320 -0.001 0.000 0.254 285 K C -0.423 176.184 176.600 0.012 0.000 0.950 285 K CA -0.737 55.564 56.287 0.024 0.000 0.849 285 K CB 1.860 34.371 32.500 0.019 0.000 1.100 285 K HN 0.446 nan 8.250 nan 0.000 0.434 286 V N -1.637 118.286 119.914 0.014 0.000 3.007 286 V HA 0.980 5.099 4.120 -0.001 0.000 0.311 286 V C -1.233 174.882 176.094 0.035 0.000 1.120 286 V CA -0.812 61.502 62.300 0.025 0.000 0.980 286 V CB 1.677 33.525 31.823 0.042 0.000 1.033 286 V HN 0.883 nan 8.190 nan 0.000 0.429 287 A N 2.238 125.091 122.820 0.055 0.000 2.612 287 A HA 0.981 5.300 4.320 -0.001 0.000 0.293 287 A C -0.804 176.914 177.584 0.223 0.000 1.075 287 A CA -0.132 51.972 52.037 0.113 0.000 0.680 287 A CB 1.902 20.954 19.000 0.087 0.000 1.279 287 A HN 2.450 nan 8.150 nan 0.000 0.411 288 V N -1.454 118.618 119.914 0.263 0.000 2.823 288 V HA 0.935 5.054 4.120 -0.001 0.000 0.312 288 V C -0.176 176.005 176.094 0.146 0.000 1.072 288 V CA -0.372 62.076 62.300 0.246 0.000 0.937 288 V CB 1.475 33.371 31.823 0.122 0.000 1.013 288 V HN 1.441 nan 8.190 nan 0.000 0.430 289 S N 1.445 117.115 115.700 -0.050 0.000 2.482 289 S HA 0.645 5.114 4.470 -0.001 0.000 0.303 289 S C 0.648 175.097 174.600 -0.252 0.000 1.091 289 S CA 0.215 58.162 58.200 -0.423 0.000 1.057 289 S CB 1.742 64.330 63.200 -1.019 0.000 1.031 289 S HN 1.396 nan 8.310 nan 0.000 0.485 290 T N 0.275 114.682 114.554 -0.244 0.000 3.085 290 T HA 0.276 4.626 4.350 -0.001 0.000 0.264 290 T C 0.047 174.642 174.700 -0.175 0.000 1.019 290 T CA -0.262 61.752 62.100 -0.143 0.000 0.910 290 T CB -0.337 68.481 68.868 -0.083 0.000 1.059 290 T HN 0.682 nan 8.240 nan 0.000 0.542 291 D N 0.499 120.683 120.400 -0.361 0.000 2.758 291 D HA 0.629 5.269 4.640 -0.001 0.000 0.262 291 D C -0.297 175.688 176.300 -0.525 0.000 1.113 291 D CA -1.028 52.773 54.000 -0.332 0.000 1.114 291 D CB 0.963 41.596 40.800 -0.278 0.000 1.363 291 D HN 0.174 nan 8.370 nan 0.000 0.617 292 G N -2.769 105.750 108.800 -0.468 0.000 2.739 292 G HA2 0.564 4.524 3.960 -0.001 0.000 0.291 292 G HA3 0.564 4.524 3.960 -0.001 0.000 0.291 292 G C 0.183 174.773 174.900 -0.516 0.000 1.478 292 G CA -0.372 44.147 45.100 -0.969 0.000 1.062 292 G HN 1.344 nan 8.290 nan 0.000 0.532 293 G N 1.671 110.238 108.800 -0.388 0.000 2.226 293 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.176 293 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.176 293 G C 0.245 175.127 174.900 -0.031 0.000 1.042 293 G CA -0.307 44.772 45.100 -0.035 0.000 0.732 293 G HN 1.085 nan 8.290 nan 0.000 0.494 294 H N 0.848 119.750 119.070 -0.279 0.000 3.179 294 H HA 0.116 4.672 4.556 -0.000 0.000 0.274 294 H C 0.916 176.201 175.328 -0.071 0.000 0.863 294 H CA 1.952 57.870 56.048 -0.218 0.000 1.415 294 H CB 0.220 29.859 29.762 -0.206 0.000 1.297 294 H HN 0.849 nan 8.280 nan 0.000 0.538 295 S N 3.550 119.096 115.700 -0.257 0.000 2.541 295 S HA 0.583 5.052 4.470 -0.001 0.000 0.271 295 S C -1.390 173.010 174.600 -0.335 0.000 1.133 295 S CA -1.016 57.130 58.200 -0.090 0.000 0.876 295 S CB 1.947 65.118 63.200 -0.048 0.000 1.105 295 S HN 0.440 nan 8.310 nan 0.000 0.470 296 Y N 0.225 120.536 120.300 0.018 0.000 2.562 296 Y HA 0.750 5.299 4.550 -0.001 0.000 0.343 296 Y C 1.137 177.047 175.900 0.017 0.000 1.025 296 Y CA -0.268 57.842 58.100 0.017 0.000 1.082 296 Y CB 1.731 40.218 38.460 0.046 0.000 1.264 296 Y HN 1.074 nan 8.280 nan 0.000 0.478 297 G N 0.952 109.851 108.800 0.165 0.000 2.508 297 G HA2 0.390 4.349 3.960 -0.001 0.000 0.278 297 G HA3 0.390 4.349 3.960 -0.001 0.000 0.278 297 G C -2.479 172.487 174.900 0.109 0.000 1.389 297 G CA -1.281 43.880 45.100 0.101 0.000 1.050 297 G HN 0.409 nan 8.290 nan 0.000 0.522 298 P HA 0.181 nan 4.420 nan 0.000 0.269 298 P C -0.499 176.835 177.300 0.057 0.000 1.215 298 P CA -0.164 62.972 63.100 0.059 0.000 0.780 298 P CB 1.115 32.840 31.700 0.042 0.000 0.898 299 V N 2.867 122.808 119.914 0.044 0.000 2.465 299 V HA 0.420 4.540 4.120 -0.001 0.000 0.279 299 V C 0.888 176.996 176.094 0.024 0.000 1.045 299 V CA 0.095 62.414 62.300 0.032 0.000 0.938 299 V CB 1.017 32.853 31.823 0.021 0.000 0.986 299 V HN 0.865 nan 8.190 nan 0.000 0.467 300 T N 2.149 116.714 114.554 0.020 0.000 2.883 300 T HA 0.729 5.079 4.350 -0.001 0.000 0.296 300 T C -0.762 173.940 174.700 0.004 0.000 1.117 300 T CA -0.768 61.337 62.100 0.009 0.000 1.006 300 T CB 1.745 70.615 68.868 0.004 0.000 1.191 300 T HN 0.155 nan 8.240 nan 0.000 0.508 301 I N 2.171 122.736 120.570 -0.009 0.000 2.474 301 I HA 0.332 4.502 4.170 -0.001 0.000 0.287 301 I C 0.105 176.179 176.117 -0.072 0.000 1.048 301 I CA -0.147 61.145 61.300 -0.014 0.000 1.383 301 I CB 0.935 38.931 38.000 -0.006 0.000 1.412 301 I HN 0.683 nan 8.210 nan 0.000 0.531 302 D N 6.287 126.650 120.400 -0.062 0.000 2.443 302 D HA 0.184 4.823 4.640 -0.001 0.000 0.221 302 D C 0.848 177.028 176.300 -0.200 0.000 1.097 302 D CA -0.394 53.549 54.000 -0.095 0.000 0.865 302 D CB 0.808 41.578 40.800 -0.051 0.000 1.034 302 D HN 0.292 nan 8.370 nan 0.000 0.511 303 R N 2.486 122.769 120.500 -0.362 0.000 2.285 303 R HA -0.056 4.284 4.340 -0.001 0.000 0.213 303 R C 0.465 176.659 176.300 -0.178 0.000 1.068 303 R CA 0.421 56.157 56.100 -0.607 0.000 1.004 303 R CB 0.081 30.062 30.300 -0.531 0.000 0.873 303 R HN 0.480 nan 8.270 nan 0.000 0.467 304 D N 0.624 120.975 120.400 -0.082 0.000 2.347 304 D HA 0.014 4.653 4.640 -0.001 0.000 0.215 304 D C 0.451 176.687 176.300 -0.106 0.000 0.976 304 D CA 0.647 54.634 54.000 -0.022 0.000 0.884 304 D CB 0.318 41.173 40.800 0.092 0.000 0.915 304 D HN 0.168 nan 8.370 nan 0.000 0.526 305 L N 2.652 123.815 121.223 -0.100 0.000 2.502 305 L HA 0.286 4.625 4.340 -0.001 0.000 0.247 305 L C -2.407 174.513 176.870 0.083 0.000 1.180 305 L CA -1.680 53.056 54.840 -0.173 0.000 0.956 305 L CB 1.538 43.302 42.059 -0.491 0.000 1.282 305 L HN -0.305 nan 8.230 nan 0.000 0.470 306 P HA 0.050 nan 4.420 nan 0.000 0.269 306 P C -0.951 176.314 177.300 -0.059 0.000 1.209 306 P CA 0.216 63.292 63.100 -0.040 0.000 0.776 306 P CB 1.652 33.318 31.700 -0.057 0.000 0.876 307 D N 2.447 122.763 120.400 -0.139 0.000 2.836 307 D HA 0.134 4.774 4.640 -0.001 0.000 0.215 307 D C -2.505 173.736 176.300 -0.099 0.000 1.255 307 D CA -1.660 52.303 54.000 -0.062 0.000 0.822 307 D CB 2.749 43.554 40.800 0.008 0.000 1.656 307 D HN 0.109 nan 8.370 nan 0.000 0.511 308 P HA 0.150 nan 4.420 nan 0.000 0.254 308 P C -0.780 176.505 177.300 -0.024 0.000 1.494 308 P CA 0.213 63.279 63.100 -0.056 0.000 0.961 308 P CB -0.159 31.517 31.700 -0.041 0.000 1.493 309 T N -0.554 113.990 114.554 -0.016 0.000 3.069 309 T HA -0.146 4.204 4.350 -0.001 0.000 0.450 309 T C -0.501 174.220 174.700 0.035 0.000 0.775 309 T CA 0.594 62.700 62.100 0.010 0.000 2.370 309 T CB -2.064 66.812 68.868 0.013 0.000 1.690 309 T HN 0.574 nan 8.240 nan 0.000 0.649 310 N N 1.107 119.816 118.700 0.016 0.000 2.961 310 N HA 0.260 5.000 4.740 -0.001 0.000 0.245 310 N C -0.847 174.585 175.510 -0.130 0.000 1.404 310 N CA -0.831 52.233 53.050 0.023 0.000 0.880 310 N CB 1.457 39.977 38.487 0.055 0.000 1.461 310 N HN 0.478 nan 8.380 nan 0.000 0.510 311 N N -0.154 118.302 118.700 -0.407 0.000 2.444 311 N HA 0.518 5.257 4.740 -0.001 0.000 0.255 311 N C -0.974 174.339 175.510 -0.328 0.000 1.255 311 N CA -0.024 52.677 53.050 -0.582 0.000 0.933 311 N CB 0.857 38.519 38.487 -1.375 0.000 1.143 311 N HN 0.585 nan 8.380 nan 0.000 0.453 312 A N 0.498 123.151 122.820 -0.279 0.000 2.588 312 A HA 0.612 4.931 4.320 -0.001 0.000 0.290 312 A C -1.415 176.001 177.584 -0.280 0.000 1.136 312 A CA -0.591 51.254 52.037 -0.320 0.000 0.681 312 A CB 1.507 20.281 19.000 -0.377 0.000 1.282 312 A HN 0.502 nan 8.150 nan 0.000 0.421 313 S N -0.585 114.885 115.700 -0.385 0.000 2.549 313 S HA 0.769 5.238 4.470 -0.001 0.000 0.280 313 S C -1.516 172.995 174.600 -0.147 0.000 1.109 313 S CA -0.397 57.692 58.200 -0.185 0.000 0.905 313 S CB 1.077 64.215 63.200 -0.104 0.000 1.081 313 S HN 1.413 nan 8.310 nan 0.000 0.477 314 I N 5.749 126.360 120.570 0.068 0.000 2.571 314 I HA 0.648 4.817 4.170 -0.001 0.000 0.289 314 I C -1.278 174.946 176.117 0.179 0.000 1.115 314 I CA -0.967 60.472 61.300 0.232 0.000 1.045 314 I CB 1.203 39.441 38.000 0.396 0.000 1.238 314 I HN 0.855 nan 8.210 nan 0.000 0.424 315 I N 3.972 124.649 120.570 0.178 0.000 3.174 315 I HA 0.606 4.775 4.170 -0.001 0.000 0.313 315 I C -1.048 175.142 176.117 0.122 0.000 1.155 315 I CA -1.109 60.273 61.300 0.136 0.000 0.977 315 I CB 1.920 39.988 38.000 0.114 0.000 1.248 315 I HN 0.398 nan 8.210 nan 0.000 0.453 316 R N 2.174 122.735 120.500 0.103 0.000 2.298 316 R HA 0.408 4.748 4.340 -0.001 0.000 0.310 316 R C 0.752 177.073 176.300 0.036 0.000 1.068 316 R CA 0.290 56.444 56.100 0.090 0.000 0.957 316 R CB 1.552 31.915 30.300 0.105 0.000 1.003 316 R HN 0.966 nan 8.270 nan 0.000 0.454 317 A N 3.868 126.641 122.820 -0.077 0.000 1.930 317 A HA -0.068 4.252 4.320 -0.001 0.000 0.217 317 A C 0.325 177.625 177.584 -0.473 0.000 1.175 317 A CA 1.145 52.970 52.037 -0.353 0.000 0.627 317 A CB 0.014 18.637 19.000 -0.627 0.000 0.815 317 A HN 0.539 nan 8.150 nan 0.000 0.443 318 F N -0.353 119.703 119.950 0.178 0.000 2.564 318 F HA 0.330 4.857 4.527 -0.001 0.000 0.361 318 F C -1.651 174.220 175.800 0.119 0.000 1.161 318 F CA -2.381 55.707 58.000 0.146 0.000 1.198 318 F CB 1.272 40.347 39.000 0.124 0.000 1.424 318 F HN 0.045 nan 8.300 nan 0.000 0.517 319 P HA -0.154 nan 4.420 nan 0.000 0.221 319 P C 0.363 177.735 177.300 0.119 0.000 1.145 319 P CA 1.465 64.643 63.100 0.131 0.000 0.795 319 P CB 0.482 32.239 31.700 0.096 0.000 0.775 320 D N -0.605 119.890 120.400 0.158 0.000 2.349 320 D HA 0.193 4.833 4.640 -0.001 0.000 0.214 320 D C 0.842 177.242 176.300 0.166 0.000 1.063 320 D CA -0.042 54.040 54.000 0.136 0.000 0.847 320 D CB 0.082 40.949 40.800 0.111 0.000 0.933 320 D HN 0.125 nan 8.370 nan 0.000 0.513 321 A N 2.614 125.560 122.820 0.209 0.000 2.462 321 A HA 0.345 4.665 4.320 -0.001 0.000 0.243 321 A C -2.007 175.719 177.584 0.237 0.000 1.076 321 A CA -0.849 51.298 52.037 0.184 0.000 0.773 321 A CB 0.005 19.114 19.000 0.182 0.000 1.010 321 A HN -0.059 nan 8.150 nan 0.000 0.493 322 P HA 0.252 nan 4.420 nan 0.000 0.272 322 P C -0.039 177.249 177.300 -0.021 0.000 1.223 322 P CA 0.093 63.254 63.100 0.100 0.000 0.784 322 P CB 0.577 32.294 31.700 0.028 0.000 0.923 323 A N 1.947 124.552 122.820 -0.358 0.000 2.567 323 A HA 0.359 4.678 4.320 -0.001 0.000 0.240 323 A C 1.585 178.999 177.584 -0.283 0.000 1.053 323 A CA 0.832 52.435 52.037 -0.724 0.000 0.755 323 A CB -1.518 16.869 19.000 -1.021 0.000 0.978 323 A HN 0.929 nan 8.150 nan 0.000 0.507 324 G N 1.525 110.214 108.800 -0.184 0.000 2.184 324 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.264 324 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.264 324 G C 0.654 175.527 174.900 -0.046 0.000 0.975 324 G CA 1.122 46.168 45.100 -0.091 0.000 0.642 324 G HN 2.190 nan 8.290 nan 0.000 0.536 325 S N -0.140 115.542 115.700 -0.029 0.000 2.614 325 S HA 0.744 5.214 4.470 -0.001 0.000 0.265 325 S C 1.769 176.371 174.600 0.002 0.000 1.303 325 S CA 0.444 58.635 58.200 -0.015 0.000 1.000 325 S CB 1.735 64.928 63.200 -0.011 0.000 0.935 325 S HN 1.658 nan 8.310 nan 0.000 0.551 326 A N 1.700 124.514 122.820 -0.011 0.000 1.908 326 A HA -0.127 4.193 4.320 -0.001 0.000 0.218 326 A C 2.355 179.953 177.584 0.022 0.000 1.181 326 A CA 1.544 53.579 52.037 -0.003 0.000 0.627 326 A CB -0.822 18.166 19.000 -0.020 0.000 0.818 326 A HN 0.905 nan 8.150 nan 0.000 0.445 327 R N -0.768 119.721 120.500 -0.019 0.000 2.120 327 R HA -0.081 4.259 4.340 -0.001 0.000 0.234 327 R C 2.265 178.696 176.300 0.219 0.000 1.123 327 R CA 1.069 57.165 56.100 -0.008 0.000 0.975 327 R CB -0.391 29.731 30.300 -0.297 0.000 0.866 327 R HN 0.523 nan 8.270 nan 0.000 0.446 328 A N 0.922 123.840 122.820 0.163 0.000 2.172 328 A HA -0.113 4.207 4.320 -0.001 0.000 0.216 328 A C 1.458 179.152 177.584 0.184 0.000 1.154 328 A CA 1.044 53.212 52.037 0.218 0.000 0.701 328 A CB -0.048 19.082 19.000 0.216 0.000 0.789 328 A HN 0.202 nan 8.150 nan 0.000 0.465 329 K N -0.356 120.123 120.400 0.131 0.000 2.404 329 K HA 0.193 4.513 4.320 -0.001 0.000 0.194 329 K C -0.449 176.186 176.600 0.058 0.000 1.023 329 K CA -0.081 56.251 56.287 0.075 0.000 1.094 329 K CB 0.538 33.055 32.500 0.029 0.000 0.841 329 K HN 0.261 nan 8.250 nan 0.000 0.523 330 V N 2.792 122.788 119.914 0.137 0.000 2.432 330 V HA 0.138 4.258 4.120 -0.001 0.000 0.271 330 V C -0.316 175.817 176.094 0.065 0.000 1.046 330 V CA -0.450 61.919 62.300 0.115 0.000 0.945 330 V CB 0.756 32.741 31.823 0.271 0.000 0.992 330 V HN 0.049 nan 8.190 nan 0.000 0.471 331 L N 5.984 127.214 121.223 0.013 0.000 2.341 331 L HA 0.668 5.008 4.340 -0.001 0.000 0.267 331 L C -0.321 176.672 176.870 0.204 0.000 1.009 331 L CA -0.467 54.430 54.840 0.094 0.000 0.819 331 L CB 1.932 44.049 42.059 0.096 0.000 1.323 331 L HN 0.463 nan 8.230 nan 0.000 0.425 332 L N 2.312 123.682 121.223 0.245 0.000 2.365 332 L HA 0.564 4.904 4.340 -0.001 0.000 0.273 332 L C -1.363 175.731 176.870 0.374 0.000 1.000 332 L CA -0.563 54.436 54.840 0.265 0.000 0.819 332 L CB 2.222 44.300 42.059 0.031 0.000 1.284 332 L HN 0.423 nan 8.230 nan 0.000 0.418 333 F N 2.141 122.181 119.950 0.150 0.000 2.561 333 F HA 0.606 5.133 4.527 -0.000 0.000 0.313 333 F C -0.468 175.311 175.800 -0.036 0.000 1.126 333 F CA -0.388 57.597 58.000 -0.024 0.000 0.918 333 F CB 2.051 40.823 39.000 -0.379 0.000 1.199 333 F HN 0.413 nan 8.300 nan 0.000 0.444 334 S N 6.079 121.394 115.700 -0.641 0.000 2.532 334 S HA 0.834 5.303 4.470 -0.001 0.000 0.299 334 S C -1.269 172.962 174.600 -0.614 0.000 1.105 334 S CA -0.552 57.409 58.200 -0.398 0.000 1.018 334 S CB 1.982 65.067 63.200 -0.191 0.000 1.021 334 S HN 1.004 nan 8.310 nan 0.000 0.483 335 N N 0.665 119.195 118.700 -0.285 0.000 3.339 335 N HA 0.402 5.141 4.740 -0.001 0.000 0.275 335 N C -1.742 173.722 175.510 -0.077 0.000 1.514 335 N CA -0.664 52.259 53.050 -0.211 0.000 0.879 335 N CB 1.036 39.363 38.487 -0.267 0.000 1.557 335 N HN 0.921 nan 8.380 nan 0.000 0.524 336 A N -0.211 122.572 122.820 -0.061 0.000 2.269 336 A HA 0.703 5.022 4.320 -0.001 0.000 0.302 336 A C 1.011 178.561 177.584 -0.057 0.000 1.266 336 A CA 0.032 52.023 52.037 -0.077 0.000 0.894 336 A CB -0.095 18.877 19.000 -0.046 0.000 1.147 336 A HN 0.956 nan 8.150 nan 0.000 0.537 337 A N 2.410 125.186 122.820 -0.073 0.000 2.119 337 A HA 0.224 4.544 4.320 -0.001 0.000 0.216 337 A C 1.528 179.073 177.584 -0.066 0.000 1.152 337 A CA 0.998 53.004 52.037 -0.051 0.000 0.708 337 A CB -0.339 18.631 19.000 -0.051 0.000 0.805 337 A HN 1.027 nan 8.150 nan 0.000 0.460 338 S N -0.448 115.207 115.700 -0.075 0.000 2.562 338 S HA 0.125 4.595 4.470 -0.001 0.000 0.281 338 S C 0.728 175.276 174.600 -0.086 0.000 1.333 338 S CA -0.194 57.961 58.200 -0.075 0.000 1.052 338 S CB 0.631 63.789 63.200 -0.069 0.000 0.884 338 S HN 0.547 nan 8.310 nan 0.000 0.506 339 Q N 1.900 121.639 119.800 -0.102 0.000 2.392 339 Q HA 0.050 4.390 4.340 -0.001 0.000 0.203 339 Q C 1.472 177.414 176.000 -0.097 0.000 0.917 339 Q CA 0.872 56.594 55.803 -0.134 0.000 0.939 339 Q CB 0.299 28.923 28.738 -0.190 0.000 1.063 339 Q HN 0.974 nan 8.270 nan 0.000 0.516 340 T N -3.503 111.009 114.554 -0.071 0.000 2.985 340 T HA 0.164 4.514 4.350 -0.001 0.000 0.254 340 T C 0.675 175.351 174.700 -0.041 0.000 1.021 340 T CA 0.244 62.312 62.100 -0.053 0.000 0.957 340 T CB 0.525 69.365 68.868 -0.046 0.000 1.047 340 T HN 0.121 nan 8.240 nan 0.000 0.511 341 S N 0.209 115.885 115.700 -0.041 0.000 2.615 341 S HA 0.544 5.014 4.470 -0.001 0.000 0.269 341 S C -1.344 173.240 174.600 -0.028 0.000 1.161 341 S CA -1.280 56.902 58.200 -0.029 0.000 0.817 341 S CB 1.343 64.526 63.200 -0.029 0.000 1.131 341 S HN 0.230 nan 8.310 nan 0.000 0.467 342 R N 1.777 122.270 120.500 -0.013 0.000 2.893 342 R HA 0.517 4.857 4.340 -0.001 0.000 0.243 342 R C -0.139 176.148 176.300 -0.022 0.000 1.481 342 R CA 0.093 56.191 56.100 -0.003 0.000 1.250 342 R CB -0.083 30.236 30.300 0.031 0.000 1.213 342 R HN 0.820 nan 8.270 nan 0.000 0.609 343 S N -0.146 115.522 115.700 -0.054 0.000 2.672 343 S HA 0.184 4.653 4.470 -0.001 0.000 0.271 343 S C -0.425 174.094 174.600 -0.135 0.000 1.171 343 S CA -1.098 57.050 58.200 -0.086 0.000 0.817 343 S CB 1.619 64.779 63.200 -0.068 0.000 1.150 343 S HN 0.518 nan 8.310 nan 0.000 0.478 344 Q N -0.197 119.494 119.800 -0.180 0.000 2.459 344 Q HA -0.132 4.207 4.340 -0.001 0.000 0.314 344 Q C 0.252 176.059 176.000 -0.321 0.000 1.432 344 Q CA 0.395 56.064 55.803 -0.222 0.000 0.823 344 Q CB -1.761 26.890 28.738 -0.145 0.000 1.124 344 Q HN 1.254 nan 8.270 nan 0.000 0.392 345 G N 1.560 110.023 108.800 -0.563 0.000 2.313 345 G HA2 0.327 4.286 3.960 -0.001 0.000 0.250 345 G HA3 0.327 4.286 3.960 -0.001 0.000 0.250 345 G C 0.039 174.422 174.900 -0.861 0.000 1.281 345 G CA 0.740 45.316 45.100 -0.873 0.000 0.917 345 G HN 0.363 nan 8.290 nan 0.000 0.501 346 T N 0.560 114.968 114.554 -0.244 0.000 2.903 346 T HA 0.648 4.998 4.350 -0.001 0.000 0.299 346 T C -0.506 174.316 174.700 0.203 0.000 1.093 346 T CA -0.855 61.255 62.100 0.017 0.000 1.002 346 T CB 1.430 70.273 68.868 -0.042 0.000 1.127 346 T HN 0.327 nan 8.240 nan 0.000 0.488 347 I N 2.603 123.292 120.570 0.200 0.000 2.404 347 I HA 0.552 4.722 4.170 -0.001 0.000 0.293 347 I C 0.419 176.609 176.117 0.122 0.000 0.992 347 I CA -0.852 60.518 61.300 0.116 0.000 1.149 347 I CB 1.660 39.649 38.000 -0.019 0.000 1.315 347 I HN 0.544 nan 8.210 nan 0.000 0.446 348 R N 6.028 126.641 120.500 0.188 0.000 2.778 348 R HA 0.746 5.086 4.340 -0.001 0.000 0.277 348 R C -0.919 175.643 176.300 0.436 0.000 0.977 348 R CA -0.885 55.368 56.100 0.256 0.000 0.950 348 R CB 2.599 32.995 30.300 0.159 0.000 1.165 348 R HN 0.547 nan 8.270 nan 0.000 0.474 349 M N 1.178 121.042 119.600 0.440 0.000 2.395 349 M HA 0.371 4.851 4.480 -0.001 0.000 0.307 349 M C -1.275 175.157 176.300 0.219 0.000 1.091 349 M CA -0.354 55.156 55.300 0.350 0.000 0.919 349 M CB 2.251 34.956 32.600 0.175 0.000 1.662 349 M HN 0.575 nan 8.290 nan 0.000 0.440 350 S N 2.590 118.220 115.700 -0.118 0.000 2.503 350 S HA 0.558 5.027 4.470 -0.001 0.000 0.301 350 S C -0.363 174.090 174.600 -0.246 0.000 1.087 350 S CA -0.692 57.203 58.200 -0.510 0.000 1.042 350 S CB 1.468 63.828 63.200 -1.401 0.000 1.043 350 S HN 0.937 nan 8.310 nan 0.000 0.489 351 C N 2.624 121.814 119.300 -0.183 0.000 3.125 351 C HA 0.395 4.855 4.460 -0.001 0.000 0.284 351 C C 0.135 175.072 174.990 -0.088 0.000 1.386 351 C CA -0.460 58.514 59.018 -0.073 0.000 1.763 351 C CB -1.364 26.364 27.740 -0.019 0.000 2.377 351 C HN 0.907 nan 8.230 nan 0.000 0.620 352 D N -1.336 118.964 120.400 -0.166 0.000 2.952 352 D HA 0.130 4.769 4.640 -0.001 0.000 0.373 352 D C -0.153 176.059 176.300 -0.148 0.000 1.360 352 D CA -0.212 53.709 54.000 -0.131 0.000 0.788 352 D CB -0.639 40.089 40.800 -0.121 0.000 1.192 352 D HN 0.019 nan 8.370 nan 0.000 0.462 353 D N 0.379 120.700 120.400 -0.132 0.000 2.837 353 D HA -0.139 4.500 4.640 -0.001 0.000 0.230 353 D C 1.289 177.500 176.300 -0.149 0.000 1.152 353 D CA 1.674 55.619 54.000 -0.091 0.000 0.736 353 D CB -1.365 39.421 40.800 -0.023 0.000 1.084 353 D HN 0.809 nan 8.370 nan 0.000 0.429 354 G N -0.125 108.448 108.800 -0.378 0.000 2.157 354 G HA2 -0.423 3.536 3.960 -0.001 0.000 0.248 354 G HA3 -0.423 3.536 3.960 -0.001 0.000 0.248 354 G C 0.744 175.441 174.900 -0.338 0.000 0.979 354 G CA 1.001 45.808 45.100 -0.488 0.000 0.650 354 G HN 0.544 nan 8.290 nan 0.000 0.529 355 Q N 0.239 119.866 119.800 -0.288 0.000 2.049 355 Q HA 0.102 4.442 4.340 -0.001 0.000 0.198 355 Q C 1.464 177.362 176.000 -0.170 0.000 0.971 355 Q CA 1.956 57.667 55.803 -0.153 0.000 0.833 355 Q CB 0.045 28.718 28.738 -0.109 0.000 0.896 355 Q HN 0.862 nan 8.270 nan 0.000 0.434 356 T N -3.818 110.543 114.554 -0.321 0.000 2.906 356 T HA 0.487 4.836 4.350 -0.001 0.000 0.295 356 T C -1.463 172.966 174.700 -0.450 0.000 1.075 356 T CA -0.851 61.124 62.100 -0.208 0.000 1.005 356 T CB 0.845 69.655 68.868 -0.096 0.000 1.136 356 T HN 0.291 nan 8.240 nan 0.000 0.498 357 W N 2.143 123.429 121.300 -0.023 0.000 2.104 357 W HA 0.375 5.034 4.660 -0.001 0.000 0.291 357 W C -1.800 174.715 176.519 -0.006 0.000 0.936 357 W CA -1.949 55.387 57.345 -0.014 0.000 1.856 357 W CB 1.129 30.569 29.460 -0.033 0.000 2.036 357 W HN 0.620 nan 8.180 nan 0.000 0.393 358 P HA -0.065 nan 4.420 nan 0.000 0.225 358 P C 0.223 177.571 177.300 0.079 0.000 1.148 358 P CA 1.143 64.288 63.100 0.076 0.000 0.779 358 P CB 0.935 32.652 31.700 0.030 0.000 0.780 359 V N 0.430 120.409 119.914 0.108 0.000 2.540 359 V HA 0.494 4.613 4.120 -0.001 0.000 0.302 359 V C 0.027 176.177 176.094 0.093 0.000 1.035 359 V CA -0.455 61.891 62.300 0.076 0.000 0.873 359 V CB 1.810 33.673 31.823 0.066 0.000 0.992 359 V HN 0.249 nan 8.190 nan 0.000 0.428 360 S N 3.718 119.436 115.700 0.028 0.000 2.537 360 S HA 0.843 5.312 4.470 -0.001 0.000 0.270 360 S C -1.244 173.309 174.600 -0.078 0.000 1.142 360 S CA -0.911 57.297 58.200 0.013 0.000 0.870 360 S CB 2.386 65.603 63.200 0.029 0.000 1.112 360 S HN 0.758 nan 8.310 nan 0.000 0.466 361 K N 1.654 121.991 120.400 -0.105 0.000 2.525 361 K HA 0.577 4.897 4.320 -0.001 0.000 0.254 361 K C -1.661 174.884 176.600 -0.093 0.000 0.934 361 K CA -0.764 55.389 56.287 -0.223 0.000 0.802 361 K CB 2.172 34.320 32.500 -0.588 0.000 1.295 361 K HN 0.622 nan 8.250 nan 0.000 0.433 362 V N 6.134 125.983 119.914 -0.108 0.000 2.488 362 V HA 0.130 4.250 4.120 -0.001 0.000 0.277 362 V C 0.647 176.745 176.094 0.007 0.000 1.046 362 V CA 0.046 62.284 62.300 -0.104 0.000 0.986 362 V CB 0.346 32.079 31.823 -0.151 0.000 0.989 362 V HN 0.798 nan 8.190 nan 0.000 0.475 363 F N 2.187 122.110 119.950 -0.045 0.000 2.678 363 F HA 0.466 4.993 4.527 -0.001 0.000 0.291 363 F C 0.728 176.410 175.800 -0.197 0.000 1.123 363 F CA -0.230 57.693 58.000 -0.129 0.000 1.395 363 F CB 0.330 39.222 39.000 -0.180 0.000 1.121 363 F HN 0.463 nan 8.300 nan 0.000 0.592 364 Q N 1.345 120.715 119.800 -0.716 0.000 2.650 364 Q HA 0.406 4.745 4.340 -0.001 0.000 0.239 364 Q C -2.503 173.277 176.000 -0.366 0.000 0.893 364 Q CA -2.272 53.250 55.803 -0.469 0.000 0.755 364 Q CB 1.726 30.104 28.738 -0.599 0.000 1.349 364 Q HN -0.099 nan 8.270 nan 0.000 0.461 365 P HA -0.033 nan 4.420 nan 0.000 0.218 365 P C 0.371 177.598 177.300 -0.121 0.000 1.149 365 P CA 1.348 64.359 63.100 -0.148 0.000 0.817 365 P CB 0.375 32.021 31.700 -0.091 0.000 0.785 366 G N -0.875 107.870 108.800 -0.091 0.000 2.666 366 G HA2 0.189 4.149 3.960 -0.001 0.000 0.207 366 G HA3 0.189 4.149 3.960 -0.001 0.000 0.207 366 G C -0.404 174.462 174.900 -0.056 0.000 1.481 366 G CA -0.220 44.846 45.100 -0.056 0.000 1.071 366 G HN 0.089 nan 8.290 nan 0.000 0.572 367 S N -0.079 115.611 115.700 -0.016 0.000 2.563 367 S HA 0.342 4.812 4.470 -0.001 0.000 0.294 367 S C -0.068 174.552 174.600 0.033 0.000 1.279 367 S CA 0.341 58.543 58.200 0.003 0.000 1.069 367 S CB -0.172 63.038 63.200 0.017 0.000 0.828 367 S HN 0.420 nan 8.310 nan 0.000 0.497 368 M N 4.845 124.460 119.600 0.026 0.000 2.331 368 M HA 0.237 4.717 4.480 -0.001 0.000 0.228 368 M C -0.419 175.934 176.300 0.089 0.000 0.986 368 M CA -0.222 55.122 55.300 0.073 0.000 0.972 368 M CB 1.110 33.647 32.600 -0.105 0.000 2.359 368 M HN 0.727 nan 8.290 nan 0.000 0.459 369 S N 2.928 118.721 115.700 0.155 0.000 2.970 369 S HA 0.437 4.906 4.470 -0.001 0.000 0.165 369 S C -0.450 174.349 174.600 0.331 0.000 0.813 369 S CA 0.079 58.395 58.200 0.194 0.000 1.195 369 S CB 0.111 63.378 63.200 0.111 0.000 0.633 369 S HN 0.607 nan 8.310 nan 0.000 0.543 370 Y N 2.714 123.058 120.300 0.073 0.000 2.336 370 Y HA 0.502 5.052 4.550 -0.001 0.000 0.331 370 Y C 0.811 176.782 175.900 0.119 0.000 1.211 370 Y CA -1.366 56.775 58.100 0.068 0.000 1.346 370 Y CB 0.241 38.732 38.460 0.052 0.000 1.271 370 Y HN 0.405 nan 8.280 nan 0.000 0.538 371 S N 0.227 116.048 115.700 0.202 0.000 2.541 371 S HA 0.871 5.341 4.470 -0.001 0.000 0.271 371 S C -1.054 173.587 174.600 0.068 0.000 1.133 371 S CA -0.904 57.398 58.200 0.170 0.000 0.876 371 S CB 2.050 65.339 63.200 0.149 0.000 1.105 371 S HN 0.507 nan 8.310 nan 0.000 0.470 372 T N 1.640 116.247 114.554 0.088 0.000 2.909 372 T HA 0.684 5.034 4.350 -0.001 0.000 0.299 372 T C -0.797 173.955 174.700 0.086 0.000 1.073 372 T CA -0.740 61.404 62.100 0.074 0.000 0.999 372 T CB 1.155 70.097 68.868 0.124 0.000 1.098 372 T HN 0.665 nan 8.240 nan 0.000 0.477 373 L N 1.759 123.033 121.223 0.084 0.000 2.342 373 L HA 0.834 5.174 4.340 -0.001 0.000 0.271 373 L C -0.264 176.691 176.870 0.143 0.000 1.008 373 L CA -0.720 54.191 54.840 0.118 0.000 0.818 373 L CB 2.423 44.547 42.059 0.108 0.000 1.296 373 L HN 0.815 nan 8.230 nan 0.000 0.427 374 T N 0.152 114.804 114.554 0.163 0.000 2.923 374 T HA 0.617 4.966 4.350 -0.001 0.000 0.311 374 T C -0.669 174.121 174.700 0.150 0.000 1.183 374 T CA -0.686 61.503 62.100 0.149 0.000 1.020 374 T CB 1.900 70.846 68.868 0.131 0.000 1.165 374 T HN 0.612 nan 8.240 nan 0.000 0.482 375 A N 2.810 125.704 122.820 0.123 0.000 2.320 375 A HA 0.718 5.038 4.320 -0.001 0.000 0.287 375 A C -0.046 177.475 177.584 -0.106 0.000 1.181 375 A CA -0.588 51.454 52.037 0.008 0.000 0.831 375 A CB -0.153 18.888 19.000 0.069 0.000 1.102 375 A HN 0.794 nan 8.150 nan 0.000 0.513 376 L N 3.361 124.434 121.223 -0.251 0.000 2.399 376 L HA 0.320 4.660 4.340 -0.001 0.000 0.265 376 L C -1.454 175.316 176.870 -0.168 0.000 1.089 376 L CA -1.940 52.797 54.840 -0.172 0.000 0.802 376 L CB 1.120 43.076 42.059 -0.172 0.000 1.180 376 L HN 0.478 nan 8.230 nan 0.000 0.454 377 P HA -0.152 nan 4.420 nan 0.000 0.219 377 P C 0.477 177.726 177.300 -0.086 0.000 1.146 377 P CA 0.926 63.977 63.100 -0.082 0.000 0.808 377 P CB 0.009 31.669 31.700 -0.068 0.000 0.779 378 D N -1.717 118.618 120.400 -0.109 0.000 2.319 378 D HA 0.093 4.733 4.640 -0.001 0.000 0.230 378 D C 1.393 177.625 176.300 -0.115 0.000 1.094 378 D CA 0.438 54.383 54.000 -0.093 0.000 0.856 378 D CB -0.937 39.812 40.800 -0.085 0.000 0.915 378 D HN 0.221 nan 8.370 nan 0.000 0.517 379 G N -0.117 108.579 108.800 -0.174 0.000 2.176 379 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.253 379 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.253 379 G C 0.567 175.201 174.900 -0.444 0.000 0.979 379 G CA 0.683 45.657 45.100 -0.209 0.000 0.641 379 G HN 0.804 nan 8.290 nan 0.000 0.530 380 T N -2.091 112.170 114.554 -0.488 0.000 2.880 380 T HA 0.732 5.082 4.350 -0.001 0.000 0.279 380 T C -0.244 173.815 174.700 -1.067 0.000 0.990 380 T CA -0.640 61.095 62.100 -0.608 0.000 0.938 380 T CB 1.784 70.471 68.868 -0.302 0.000 1.206 380 T HN 0.479 nan 8.240 nan 0.000 0.573 381 Y N -1.269 118.708 120.300 -0.537 0.000 2.462 381 Y HA 0.630 5.180 4.550 -0.001 0.000 0.346 381 Y C 0.671 176.273 175.900 -0.496 0.000 0.976 381 Y CA -1.032 56.715 58.100 -0.589 0.000 1.044 381 Y CB 2.194 40.085 38.460 -0.948 0.000 1.230 381 Y HN 1.090 nan 8.280 nan 0.000 0.455 382 G N 2.808 111.572 108.800 -0.060 0.000 2.367 382 G HA2 0.592 4.552 3.960 -0.001 0.000 0.314 382 G HA3 0.592 4.552 3.960 -0.001 0.000 0.314 382 G C -1.630 173.317 174.900 0.078 0.000 1.130 382 G CA -0.634 44.507 45.100 0.068 0.000 0.864 382 G HN 0.611 nan 8.290 nan 0.000 0.486 383 L N 3.016 124.207 121.223 -0.053 0.000 2.441 383 L HA 0.491 4.831 4.340 -0.001 0.000 0.270 383 L C -1.099 175.808 176.870 0.061 0.000 0.973 383 L CA -0.755 54.089 54.840 0.006 0.000 0.842 383 L CB 1.636 43.632 42.059 -0.105 0.000 1.239 383 L HN 0.311 nan 8.230 nan 0.000 0.406 384 L N 5.885 127.208 121.223 0.167 0.000 2.296 384 L HA 0.515 4.855 4.340 -0.001 0.000 0.286 384 L C -1.112 175.889 176.870 0.218 0.000 1.023 384 L CA -0.567 54.374 54.840 0.170 0.000 0.812 384 L CB 1.475 43.635 42.059 0.167 0.000 1.223 384 L HN 0.610 nan 8.230 nan 0.000 0.421 385 Y N 1.383 121.695 120.300 0.020 0.000 2.644 385 Y HA 0.507 5.057 4.550 -0.001 0.000 0.338 385 Y C -1.137 174.792 175.900 0.047 0.000 1.119 385 Y CA -1.351 56.794 58.100 0.074 0.000 1.060 385 Y CB 1.233 39.789 38.460 0.160 0.000 1.294 385 Y HN 0.425 nan 8.280 nan 0.000 0.472 386 E N 3.227 123.570 120.200 0.237 0.000 2.073 386 E HA 0.248 4.598 4.350 -0.001 0.000 0.269 386 E C -2.244 174.443 176.600 0.145 0.000 0.917 386 E CA -2.131 54.307 56.400 0.062 0.000 0.757 386 E CB 1.525 31.253 29.700 0.046 0.000 1.111 386 E HN 0.483 nan 8.360 nan 0.000 0.410 387 P HA 0.055 nan 4.420 nan 0.000 0.255 387 P C 0.789 178.112 177.300 0.038 0.000 1.248 387 P CA 0.519 63.676 63.100 0.096 0.000 0.807 387 P CB 0.687 32.385 31.700 -0.003 0.000 1.150 388 G N -0.042 108.759 108.800 0.003 0.000 2.232 388 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.226 388 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.226 388 G C 0.846 175.735 174.900 -0.019 0.000 0.996 388 G CA 0.542 45.638 45.100 -0.007 0.000 0.626 388 G HN 0.436 nan 8.290 nan 0.000 0.509 389 T N -1.604 112.930 114.554 -0.033 0.000 3.054 389 T HA 0.598 4.947 4.350 -0.001 0.000 0.255 389 T C 1.567 176.247 174.700 -0.033 0.000 1.035 389 T CA 1.395 63.478 62.100 -0.028 0.000 0.941 389 T CB 1.196 70.044 68.868 -0.034 0.000 1.026 389 T HN 2.209 nan 8.240 nan 0.000 0.533 390 G N 2.130 110.892 108.800 -0.063 0.000 2.249 390 G HA2 0.241 4.201 3.960 -0.001 0.000 0.089 390 G HA3 0.241 4.201 3.960 -0.001 0.000 0.089 390 G C -1.565 173.210 174.900 -0.209 0.000 1.206 390 G CA -0.406 44.645 45.100 -0.080 0.000 1.190 390 G HN 1.015 nan 8.290 nan 0.000 0.454 391 I N -1.024 119.324 120.570 -0.370 0.000 2.545 391 I HA 0.937 5.107 4.170 -0.001 0.000 0.292 391 I C -0.559 175.283 176.117 -0.458 0.000 1.040 391 I CA -1.057 59.984 61.300 -0.432 0.000 1.068 391 I CB 2.312 39.980 38.000 -0.554 0.000 1.251 391 I HN 0.775 nan 8.210 nan 0.000 0.424 392 R N 4.393 124.600 120.500 -0.489 0.000 2.670 392 R HA 0.477 4.817 4.340 -0.001 0.000 0.289 392 R C -2.069 174.025 176.300 -0.344 0.000 0.965 392 R CA -0.782 55.026 56.100 -0.486 0.000 0.899 392 R CB 1.652 31.536 30.300 -0.694 0.000 1.173 392 R HN 0.792 nan 8.270 nan 0.000 0.456 393 Y N 2.583 122.682 120.300 -0.335 0.000 2.341 393 Y HA 0.672 5.221 4.550 -0.001 0.000 0.337 393 Y C -1.300 174.547 175.900 -0.089 0.000 1.014 393 Y CA -0.476 57.504 58.100 -0.200 0.000 1.111 393 Y CB 1.747 40.031 38.460 -0.292 0.000 1.194 393 Y HN 0.744 nan 8.280 nan 0.000 0.462 394 A N 4.864 127.206 122.820 -0.796 0.000 2.423 394 A HA 0.662 4.982 4.320 -0.001 0.000 0.304 394 A C -1.648 175.338 177.584 -0.996 0.000 1.104 394 A CA -0.885 50.711 52.037 -0.735 0.000 0.757 394 A CB 1.443 20.205 19.000 -0.397 0.000 1.313 394 A HN 0.752 nan 8.150 nan 0.000 0.423 395 N N -0.051 118.192 118.700 -0.762 0.000 2.371 395 N HA 0.727 5.466 4.740 -0.001 0.000 0.291 395 N C -1.264 174.006 175.510 -0.400 0.000 1.053 395 N CA -0.506 52.246 53.050 -0.496 0.000 0.870 395 N CB 1.186 39.501 38.487 -0.287 0.000 1.503 395 N HN 0.648 nan 8.380 nan 0.000 0.485 396 F N 0.865 120.621 119.950 -0.324 0.000 2.643 396 F HA 0.638 5.165 4.527 -0.001 0.000 0.314 396 F C -0.668 175.178 175.800 0.078 0.000 1.096 396 F CA -1.077 56.796 58.000 -0.212 0.000 0.953 396 F CB 0.948 39.764 39.000 -0.307 0.000 1.345 396 F HN 0.529 nan 8.300 nan 0.000 0.468 397 N N 0.759 119.644 118.700 0.308 0.000 2.545 397 N HA 0.475 5.215 4.740 -0.001 0.000 0.289 397 N C -0.128 175.711 175.510 0.549 0.000 1.279 397 N CA -1.084 52.140 53.050 0.291 0.000 0.824 397 N CB 2.410 41.006 38.487 0.181 0.000 1.395 397 N HN 0.738 nan 8.380 nan 0.000 0.526 398 L N -0.048 121.438 121.223 0.438 0.000 2.083 398 L HA -0.135 4.205 4.340 -0.001 0.000 0.209 398 L C 2.731 179.802 176.870 0.334 0.000 1.083 398 L CA 1.609 56.685 54.840 0.394 0.000 0.752 398 L CB -0.644 41.607 42.059 0.319 0.000 0.899 398 L HN 0.825 nan 8.230 nan 0.000 0.433 399 A N -0.505 122.493 122.820 0.297 0.000 1.978 399 A HA -0.286 4.033 4.320 -0.001 0.000 0.220 399 A C 2.002 179.743 177.584 0.261 0.000 1.170 399 A CA 1.690 53.868 52.037 0.234 0.000 0.636 399 A CB -1.033 18.089 19.000 0.205 0.000 0.810 399 A HN 0.672 nan 8.150 nan 0.000 0.448 400 W N 0.350 121.767 121.300 0.195 0.000 2.363 400 W HA -0.106 4.554 4.660 -0.001 0.000 0.296 400 W C 1.640 178.237 176.519 0.131 0.000 1.212 400 W CA 1.563 59.018 57.345 0.184 0.000 1.260 400 W CB -0.284 29.346 29.460 0.283 0.000 1.131 400 W HN 0.248 nan 8.180 nan 0.000 0.530 401 L N 0.465 121.755 121.223 0.111 0.000 2.191 401 L HA -0.061 4.279 4.340 -0.001 0.000 0.212 401 L C 2.308 179.065 176.870 -0.188 0.000 1.103 401 L CA 1.486 56.242 54.840 -0.140 0.000 0.769 401 L CB -1.080 41.039 42.059 0.101 0.000 0.908 401 L HN 0.412 nan 8.230 nan 0.000 0.438 402 G N -1.309 107.444 108.800 -0.078 0.000 3.487 402 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.295 402 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.295 402 G C 0.874 175.761 174.900 -0.020 0.000 1.454 402 G CA 0.279 45.340 45.100 -0.066 0.000 1.039 402 G HN 0.906 nan 8.290 nan 0.000 0.624 403 G N 0.248 109.025 108.800 -0.038 0.000 4.269 403 G HA2 -0.038 3.921 3.960 -0.001 0.000 0.290 403 G HA3 -0.038 3.921 3.960 -0.001 0.000 0.290 403 G C 0.728 175.621 174.900 -0.010 0.000 1.570 403 G CA 1.927 47.021 45.100 -0.011 0.000 1.072 403 G HN 2.438 nan 8.290 nan 0.000 0.681 404 I N 0.373 120.944 120.570 0.002 0.000 2.428 404 I HA 0.635 4.804 4.170 -0.001 0.000 0.296 404 I C 0.788 176.905 176.117 0.001 0.000 0.985 404 I CA -0.861 60.441 61.300 0.003 0.000 1.260 404 I CB 0.866 38.873 38.000 0.012 0.000 1.389 404 I HN 0.655 nan 8.210 nan 0.000 0.484 405 C N 7.022 126.320 119.300 -0.002 0.000 3.057 405 C HA 0.657 5.116 4.460 -0.001 0.000 0.563 405 C C 1.169 176.163 174.990 0.007 0.000 1.129 405 C CA -0.270 58.747 59.018 -0.001 0.000 1.284 405 C CB -2.407 25.329 27.740 -0.006 0.000 1.532 405 C HN 0.869 nan 8.230 nan 0.000 0.631 406 A N 4.114 126.942 122.820 0.014 0.000 2.327 406 A HA 0.652 4.971 4.320 -0.001 0.000 0.255 406 A C -1.048 176.548 177.584 0.020 0.000 1.099 406 A CA -0.542 51.505 52.037 0.018 0.000 0.801 406 A CB -0.087 18.927 19.000 0.024 0.000 1.062 406 A HN 0.778 nan 8.150 nan 0.000 0.496 407 P HA 0.000 nan 4.420 nan 0.000 0.216 407 P CA 0.000 63.111 63.100 0.019 0.000 0.800 407 P CB 0.000 31.712 31.700 0.020 0.000 0.726