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 2v7b_1_B DATA FIRST_RESID 22 DATA SEQUENCE LFNFAAYLFR LNETRAGKTA YIDDTGSTTY GELEERARRF ASALRTLGVH DATA SEQUENCE PEERILLVML DTVALPVAFL GALYAGVVPV VANTLLTPAD YVYMLTHSHA DATA SEQUENCE RAVIASGALV QNVTQALESA XXXGCQLIVS QPXXXXXXLA PLFEELIDAA DATA SEQUENCE APAAKAAATG CDDIAFWLYS XXXXXKPKGT VHTHANLYWT AELYAKPILG DATA SEQUENCE IAENDVVFSA AKLFFAYGLG NGLTFPLSVG ATAILMAERP TADAIFARLV DATA SEQUENCE EHRPTVFYGV PTLYANMLVS PNLPARADVA IRICTSAGEA LPREIGERFT DATA SEQUENCE AHFGCEILDG IGSTEMLHIF LSNRAGAVEY GTTGRPVPGY EIELRDEAGH DATA SEQUENCE AVPDGEVGDL YIKGPSAAVM YWNNREKSRA TFLGEWIRSG DKYCRLPNGC DATA SEQUENCE YVYAGRSDDM LKXXXXYVSP VEVEMVLVQH DAVLEAAVVG VDHGGLVKTR DATA SEQUENCE AFVVLKREFA PSEILAEELK AFVKDRLAPH KYPRDIVFVD DLPKTATGKI DATA SEQUENCE QRFKLRE 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 22 L HA 0.000 nan 4.340 nan 0.000 0.249 22 L C 0.000 176.910 176.870 0.066 0.000 1.165 22 L CA 0.000 54.837 54.840 -0.004 0.000 0.813 22 L CB 0.000 42.035 42.059 -0.040 0.000 0.961 23 F N 1.610 121.468 119.950 -0.153 0.000 2.607 23 F HA 0.644 5.171 4.527 -0.000 0.000 0.322 23 F C -1.168 174.465 175.800 -0.280 0.000 1.176 23 F CA -0.512 57.380 58.000 -0.181 0.000 0.977 23 F CB 1.411 40.298 39.000 -0.187 0.000 1.242 23 F HN 0.258 nan 8.300 nan 0.000 0.465 24 N N 6.032 124.156 118.700 -0.960 0.000 2.461 24 N HA 0.130 4.870 4.740 -0.000 0.000 0.284 24 N C 0.137 175.225 175.510 -0.703 0.000 1.049 24 N CA -0.322 52.228 53.050 -0.833 0.000 0.889 24 N CB 1.101 39.278 38.487 -0.517 0.000 1.365 24 N HN 0.709 nan 8.380 nan 0.000 0.499 25 F N 4.151 123.935 119.950 -0.277 0.000 2.161 25 F HA -0.091 4.436 4.527 -0.000 0.000 0.300 25 F C 2.077 177.838 175.800 -0.065 0.000 1.089 25 F CA 2.007 59.953 58.000 -0.091 0.000 1.282 25 F CB 0.027 39.201 39.000 0.289 0.000 1.010 25 F HN 0.689 nan 8.300 nan 0.000 0.485 26 A N 0.209 122.962 122.820 -0.112 0.000 1.858 26 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 26 A C 2.439 179.534 177.584 -0.816 0.000 1.190 26 A CA 1.795 53.557 52.037 -0.458 0.000 0.617 26 A CB -1.593 17.306 19.000 -0.169 0.000 0.827 26 A HN 0.449 nan 8.150 nan 0.000 0.443 27 A N -1.365 121.275 122.820 -0.299 0.000 1.940 27 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 27 A C 2.148 179.646 177.584 -0.143 0.000 1.176 27 A CA 1.871 53.877 52.037 -0.053 0.000 0.631 27 A CB -0.861 18.122 19.000 -0.028 0.000 0.814 27 A HN 0.823 nan 8.150 nan 0.000 0.446 28 Y N 0.590 120.638 120.300 -0.419 0.000 2.114 28 Y HA -0.174 4.376 4.550 -0.000 0.000 0.284 28 Y C 1.939 177.666 175.900 -0.289 0.000 1.143 28 Y CA 1.827 59.726 58.100 -0.336 0.000 1.135 28 Y CB -0.493 37.699 38.460 -0.446 0.000 0.980 28 Y HN 0.209 nan 8.280 nan 0.000 0.499 29 L N -1.066 119.775 121.223 -0.636 0.000 2.043 29 L HA -0.264 4.076 4.340 -0.000 0.000 0.212 29 L C 2.353 179.103 176.870 -0.199 0.000 1.075 29 L CA 1.426 55.946 54.840 -0.532 0.000 0.752 29 L CB -0.835 40.945 42.059 -0.466 0.000 0.891 29 L HN 0.203 nan 8.230 nan 0.000 0.432 30 F N -0.029 119.856 119.950 -0.108 0.000 2.171 30 F HA -0.177 4.350 4.527 -0.000 0.000 0.300 30 F C 2.774 178.526 175.800 -0.080 0.000 1.090 30 F CA 1.228 59.199 58.000 -0.050 0.000 1.293 30 F CB -0.952 38.040 39.000 -0.013 0.000 1.013 30 F HN 0.070 nan 8.300 nan 0.000 0.486 31 R N 0.841 121.387 120.500 0.076 0.000 2.066 31 R HA -0.116 4.224 4.340 -0.000 0.000 0.232 31 R C 2.220 178.470 176.300 -0.082 0.000 1.131 31 R CA 1.155 57.259 56.100 0.006 0.000 0.955 31 R CB -0.625 29.686 30.300 0.018 0.000 0.851 31 R HN 0.294 nan 8.270 nan 0.000 0.432 32 L N 0.772 121.870 121.223 -0.208 0.000 2.079 32 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 32 L C 1.163 177.915 176.870 -0.198 0.000 1.081 32 L CA 1.756 56.449 54.840 -0.245 0.000 0.752 32 L CB -0.326 41.489 42.059 -0.406 0.000 0.896 32 L HN 0.374 nan 8.230 nan 0.000 0.433 33 N N -1.001 117.592 118.700 -0.178 0.000 2.270 33 N HA -0.064 4.675 4.740 -0.000 0.000 0.198 33 N C 1.414 176.832 175.510 -0.153 0.000 1.117 33 N CA -0.065 52.831 53.050 -0.256 0.000 0.845 33 N CB 0.334 38.601 38.487 -0.367 0.000 0.980 33 N HN 0.404 nan 8.380 nan 0.000 0.486 34 E N 0.601 120.755 120.200 -0.077 0.000 2.130 34 E HA -0.242 4.108 4.350 -0.000 0.000 0.196 34 E C 1.348 177.915 176.600 -0.055 0.000 0.998 34 E CA 1.779 58.154 56.400 -0.043 0.000 0.806 34 E CB -0.609 29.078 29.700 -0.021 0.000 0.738 34 E HN 0.329 nan 8.360 nan 0.000 0.459 35 T N -0.275 114.234 114.554 -0.075 0.000 3.118 35 T HA -0.025 4.325 4.350 -0.000 0.000 0.260 35 T C 1.548 176.202 174.700 -0.075 0.000 1.139 35 T CA 0.633 62.693 62.100 -0.066 0.000 1.085 35 T CB -0.328 68.501 68.868 -0.064 0.000 0.934 35 T HN 0.387 nan 8.240 nan 0.000 0.518 36 R N 0.055 120.487 120.500 -0.115 0.000 2.700 36 R HA 0.742 5.082 4.340 -0.000 0.000 0.399 36 R C 1.737 178.026 176.300 -0.019 0.000 1.115 36 R CA 0.073 56.110 56.100 -0.105 0.000 1.058 36 R CB -0.264 29.909 30.300 -0.213 0.000 1.389 36 R HN 0.167 nan 8.270 nan 0.000 0.582 37 A N 1.020 123.842 122.820 0.004 0.000 1.958 37 A HA -0.135 4.185 4.320 -0.000 0.000 0.221 37 A C 2.107 179.735 177.584 0.074 0.000 1.178 37 A CA 1.886 53.955 52.037 0.053 0.000 0.642 37 A CB -0.713 18.294 19.000 0.012 0.000 0.816 37 A HN 0.596 nan 8.150 nan 0.000 0.453 38 G N -1.347 107.482 108.800 0.049 0.000 2.880 38 G HA2 0.105 4.065 3.960 -0.000 0.000 0.209 38 G HA3 0.105 4.065 3.960 -0.000 0.000 0.209 38 G C 0.720 175.659 174.900 0.066 0.000 1.157 38 G CA 0.228 45.355 45.100 0.045 0.000 0.779 38 G HN 0.501 nan 8.290 nan 0.000 0.539 39 K N 1.427 121.895 120.400 0.112 0.000 2.298 39 K HA 0.229 4.549 4.320 -0.000 0.000 0.280 39 K C -0.220 176.474 176.600 0.157 0.000 1.032 39 K CA -0.330 56.040 56.287 0.139 0.000 0.958 39 K CB 0.424 33.023 32.500 0.165 0.000 0.978 39 K HN -0.015 nan 8.250 nan 0.000 0.472 40 T N 3.307 117.898 114.554 0.062 0.000 2.831 40 T HA 0.019 4.369 4.350 -0.000 0.000 0.291 40 T C 0.976 175.601 174.700 -0.124 0.000 0.981 40 T CA 0.041 62.124 62.100 -0.027 0.000 1.174 40 T CB 1.063 69.909 68.868 -0.035 0.000 0.929 40 T HN 0.710 nan 8.240 nan 0.000 0.532 41 A N 3.624 126.208 122.820 -0.394 0.000 1.901 41 A HA 0.259 4.579 4.320 -0.000 0.000 0.210 41 A C 0.072 177.232 177.584 -0.708 0.000 1.208 41 A CA 0.599 52.124 52.037 -0.852 0.000 0.644 41 A CB 0.125 18.328 19.000 -1.328 0.000 0.863 41 A HN 0.730 nan 8.150 nan 0.000 0.454 42 Y N -0.848 119.328 120.300 -0.207 0.000 2.391 42 Y HA 0.633 5.183 4.550 -0.000 0.000 0.341 42 Y C -0.529 175.299 175.900 -0.119 0.000 0.965 42 Y CA -0.997 57.024 58.100 -0.132 0.000 1.067 42 Y CB 1.578 39.971 38.460 -0.111 0.000 1.199 42 Y HN 0.064 nan 8.280 nan 0.000 0.450 43 I N 4.656 125.257 120.570 0.051 0.000 2.406 43 I HA 0.362 4.532 4.170 -0.000 0.000 0.290 43 I C -0.781 175.335 176.117 -0.002 0.000 0.999 43 I CA -0.533 60.733 61.300 -0.057 0.000 1.124 43 I CB 1.373 39.204 38.000 -0.281 0.000 1.289 43 I HN 0.626 nan 8.210 nan 0.000 0.441 44 D N 3.252 123.648 120.400 -0.007 0.000 2.801 44 D HA 0.191 4.831 4.640 -0.000 0.000 0.277 44 D C 0.137 176.440 176.300 0.004 0.000 1.125 44 D CA -0.525 53.477 54.000 0.003 0.000 1.102 44 D CB 0.636 41.431 40.800 -0.008 0.000 1.400 44 D HN 0.284 nan 8.370 nan 0.000 0.601 45 D N -1.007 119.399 120.400 0.009 0.000 2.378 45 D HA -0.034 4.606 4.640 -0.000 0.000 0.222 45 D C 0.814 177.124 176.300 0.016 0.000 0.980 45 D CA 0.989 54.999 54.000 0.017 0.000 0.907 45 D CB 0.199 41.010 40.800 0.017 0.000 0.899 45 D HN 0.353 nan 8.370 nan 0.000 0.527 46 T N -0.975 113.585 114.554 0.010 0.000 2.969 46 T HA 0.395 4.745 4.350 -0.000 0.000 0.250 46 T C 0.693 175.400 174.700 0.011 0.000 1.021 46 T CA 0.514 62.620 62.100 0.010 0.000 1.003 46 T CB 1.259 70.130 68.868 0.004 0.000 1.040 46 T HN 0.342 nan 8.240 nan 0.000 0.492 47 G N 0.346 109.151 108.800 0.009 0.000 2.350 47 G HA2 0.331 4.291 3.960 -0.000 0.000 0.276 47 G HA3 0.331 4.291 3.960 -0.000 0.000 0.276 47 G C -1.534 173.363 174.900 -0.005 0.000 1.313 47 G CA -0.607 44.498 45.100 0.008 0.000 0.903 47 G HN 0.091 nan 8.290 nan 0.000 0.490 48 S N -0.538 115.159 115.700 -0.006 0.000 2.537 48 S HA 0.836 5.305 4.470 -0.000 0.000 0.301 48 S C -0.557 174.042 174.600 -0.001 0.000 1.092 48 S CA -0.382 57.810 58.200 -0.013 0.000 1.048 48 S CB 1.853 65.039 63.200 -0.023 0.000 1.053 48 S HN 0.772 nan 8.310 nan 0.000 0.501 49 T N 2.302 116.860 114.554 0.006 0.000 2.841 49 T HA 0.489 4.839 4.350 -0.000 0.000 0.285 49 T C 0.269 174.950 174.700 -0.033 0.000 0.991 49 T CA -0.788 61.315 62.100 0.004 0.000 0.966 49 T CB 1.358 70.250 68.868 0.040 0.000 0.962 49 T HN 0.726 nan 8.240 nan 0.000 0.438 50 T N 0.899 115.438 114.554 -0.026 0.000 2.813 50 T HA 0.244 4.594 4.350 -0.000 0.000 0.297 50 T C 1.055 175.728 174.700 -0.044 0.000 1.036 50 T CA -0.378 61.711 62.100 -0.019 0.000 1.044 50 T CB 0.389 69.272 68.868 0.026 0.000 0.993 50 T HN 0.507 nan 8.240 nan 0.000 0.535 51 Y N 1.412 121.709 120.300 -0.005 0.000 2.193 51 Y HA -0.033 4.516 4.550 -0.000 0.000 0.285 51 Y C 2.797 178.681 175.900 -0.027 0.000 1.166 51 Y CA 1.880 59.981 58.100 0.001 0.000 1.181 51 Y CB -0.772 37.683 38.460 -0.009 0.000 0.976 51 Y HN 0.911 nan 8.280 nan 0.000 0.520 52 G N -0.617 108.248 108.800 0.109 0.000 2.402 52 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.216 52 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.216 52 G C 1.408 176.278 174.900 -0.051 0.000 1.162 52 G CA 0.994 46.098 45.100 0.006 0.000 0.777 52 G HN 0.384 nan 8.290 nan 0.000 0.539 53 E N -0.392 119.789 120.200 -0.032 0.000 2.072 53 E HA -0.071 4.279 4.350 -0.000 0.000 0.191 53 E C 2.339 178.902 176.600 -0.062 0.000 0.985 53 E CA 0.578 56.949 56.400 -0.049 0.000 0.801 53 E CB -0.185 29.498 29.700 -0.029 0.000 0.750 53 E HN 0.294 nan 8.360 nan 0.000 0.452 54 L N 1.741 122.944 121.223 -0.033 0.000 1.971 54 L HA -0.285 4.055 4.340 -0.000 0.000 0.215 54 L C 2.263 179.077 176.870 -0.094 0.000 1.072 54 L CA 2.163 57.005 54.840 0.003 0.000 0.758 54 L CB -0.541 41.559 42.059 0.069 0.000 0.889 54 L HN 0.138 nan 8.230 nan 0.000 0.433 55 E N -0.895 119.153 120.200 -0.254 0.000 2.038 55 E HA -0.329 4.021 4.350 -0.000 0.000 0.195 55 E C 2.090 178.320 176.600 -0.616 0.000 1.000 55 E CA 1.471 57.376 56.400 -0.825 0.000 0.803 55 E CB -0.183 29.000 29.700 -0.862 0.000 0.750 55 E HN 0.601 nan 8.360 nan 0.000 0.448 56 E N 0.467 120.460 120.200 -0.345 0.000 2.049 56 E HA -0.230 4.120 4.350 -0.000 0.000 0.198 56 E C 2.140 178.621 176.600 -0.199 0.000 1.007 56 E CA 1.753 58.005 56.400 -0.246 0.000 0.809 56 E CB -0.031 29.576 29.700 -0.154 0.000 0.749 56 E HN 0.123 nan 8.360 nan 0.000 0.450 57 R N 0.155 120.567 120.500 -0.147 0.000 2.075 57 R HA 0.013 4.353 4.340 -0.000 0.000 0.232 57 R C 2.325 178.590 176.300 -0.059 0.000 1.126 57 R CA 1.250 57.289 56.100 -0.102 0.000 0.963 57 R CB -1.291 28.961 30.300 -0.080 0.000 0.858 57 R HN 0.340 nan 8.270 nan 0.000 0.435 58 A N 1.556 124.351 122.820 -0.043 0.000 1.865 58 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 58 A C 2.293 179.893 177.584 0.026 0.000 1.191 58 A CA 1.560 53.652 52.037 0.092 0.000 0.623 58 A CB -0.432 18.719 19.000 0.251 0.000 0.826 58 A HN 0.253 nan 8.150 nan 0.000 0.444 59 R N -0.975 119.388 120.500 -0.228 0.000 2.092 59 R HA -0.049 4.291 4.340 -0.000 0.000 0.231 59 R C 2.448 178.673 176.300 -0.125 0.000 1.119 59 R CA 1.355 57.263 56.100 -0.320 0.000 0.970 59 R CB -0.262 29.701 30.300 -0.561 0.000 0.864 59 R HN 0.484 nan 8.270 nan 0.000 0.440 60 R N -0.335 120.104 120.500 -0.101 0.000 2.096 60 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 60 R C 1.983 178.277 176.300 -0.011 0.000 1.127 60 R CA 1.432 57.496 56.100 -0.059 0.000 0.968 60 R CB -0.324 29.932 30.300 -0.073 0.000 0.861 60 R HN 0.161 nan 8.270 nan 0.000 0.440 61 F N 1.248 121.128 119.950 -0.117 0.000 2.234 61 F HA -0.023 4.504 4.527 -0.000 0.000 0.299 61 F C 2.121 177.920 175.800 -0.001 0.000 1.087 61 F CA 0.792 58.736 58.000 -0.094 0.000 1.340 61 F CB -0.346 38.595 39.000 -0.098 0.000 1.031 61 F HN -0.024 nan 8.300 nan 0.000 0.500 62 A N -0.384 122.403 122.820 -0.054 0.000 1.865 62 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 62 A C 2.432 179.953 177.584 -0.105 0.000 1.191 62 A CA 2.273 54.283 52.037 -0.046 0.000 0.623 62 A CB -1.356 17.766 19.000 0.202 0.000 0.826 62 A HN 0.402 nan 8.150 nan 0.000 0.444 63 S N -0.258 115.403 115.700 -0.066 0.000 2.368 63 S HA -0.058 4.412 4.470 -0.000 0.000 0.225 63 S C 2.313 176.846 174.600 -0.111 0.000 1.030 63 S CA 1.226 59.386 58.200 -0.066 0.000 0.999 63 S CB -0.538 62.637 63.200 -0.041 0.000 0.844 63 S HN 0.830 nan 8.310 nan 0.000 0.459 64 A N 1.437 124.163 122.820 -0.157 0.000 1.908 64 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 64 A C 2.130 179.584 177.584 -0.216 0.000 1.181 64 A CA 1.309 53.249 52.037 -0.162 0.000 0.627 64 A CB -0.770 18.156 19.000 -0.123 0.000 0.818 64 A HN 0.457 nan 8.150 nan 0.000 0.445 65 L N -1.204 119.790 121.223 -0.381 0.000 2.017 65 L HA -0.182 4.157 4.340 -0.000 0.000 0.208 65 L C 2.827 179.615 176.870 -0.137 0.000 1.073 65 L CA 1.785 56.440 54.840 -0.309 0.000 0.745 65 L CB -0.474 41.340 42.059 -0.408 0.000 0.894 65 L HN 0.479 nan 8.230 nan 0.000 0.432 66 R N -0.213 120.219 120.500 -0.114 0.000 2.083 66 R HA -0.173 4.167 4.340 -0.000 0.000 0.237 66 R C 2.171 178.451 176.300 -0.034 0.000 1.137 66 R CA 2.122 58.189 56.100 -0.055 0.000 0.951 66 R CB -0.374 29.893 30.300 -0.057 0.000 0.851 66 R HN 0.269 nan 8.270 nan 0.000 0.434 67 T N 1.594 116.120 114.554 -0.047 0.000 2.759 67 T HA -0.121 4.229 4.350 -0.000 0.000 0.269 67 T C 1.404 176.095 174.700 -0.016 0.000 1.042 67 T CA 0.850 62.932 62.100 -0.029 0.000 1.140 67 T CB -0.102 68.747 68.868 -0.033 0.000 0.864 67 T HN 0.089 nan 8.240 nan 0.000 0.455 68 L N 0.729 121.936 121.223 -0.026 0.000 2.622 68 L HA 0.245 4.585 4.340 -0.000 0.000 0.233 68 L C 2.001 178.874 176.870 0.005 0.000 1.156 68 L CA 0.839 55.674 54.840 -0.010 0.000 0.866 68 L CB -1.514 40.536 42.059 -0.014 0.000 0.980 68 L HN 0.551 nan 8.230 nan 0.000 0.448 69 G N -0.950 107.864 108.800 0.024 0.000 2.148 69 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.254 69 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.254 69 G C 0.374 175.332 174.900 0.096 0.000 0.981 69 G CA 0.317 45.460 45.100 0.071 0.000 0.670 69 G HN 0.170 nan 8.290 nan 0.000 0.528 70 V N 1.935 121.884 119.914 0.059 0.000 2.455 70 V HA 0.309 4.429 4.120 -0.000 0.000 0.273 70 V C 0.972 177.155 176.094 0.149 0.000 1.045 70 V CA -0.547 61.781 62.300 0.046 0.000 0.976 70 V CB 0.595 32.407 31.823 -0.017 0.000 0.993 70 V HN 0.412 nan 8.190 nan 0.000 0.475 71 H N 4.913 123.958 119.070 -0.043 0.000 2.505 71 H HA 0.251 4.807 4.556 -0.000 0.000 0.355 71 H C -2.207 173.095 175.328 -0.043 0.000 1.179 71 H CA -2.118 53.907 56.048 -0.037 0.000 1.343 71 H CB 1.234 30.982 29.762 -0.023 0.000 1.501 71 H HN 0.431 nan 8.280 nan 0.000 0.569 72 P HA -0.117 nan 4.420 nan 0.000 0.264 72 P C -0.116 177.208 177.300 0.040 0.000 1.179 72 P CA 0.948 64.062 63.100 0.023 0.000 0.763 72 P CB 0.376 32.071 31.700 -0.008 0.000 0.806 73 E N -1.432 118.774 120.200 0.009 0.000 4.129 73 E HA -0.232 4.118 4.350 -0.000 0.000 0.360 73 E C -0.209 176.349 176.600 -0.069 0.000 0.598 73 E CA 0.902 57.297 56.400 -0.010 0.000 1.308 73 E CB -1.273 28.447 29.700 0.034 0.000 1.777 73 E HN 0.644 nan 8.360 nan 0.000 0.397 74 E N 1.231 121.398 120.200 -0.056 0.000 2.373 74 E HA 0.339 4.689 4.350 -0.000 0.000 0.263 74 E C -0.034 176.452 176.600 -0.190 0.000 1.073 74 E CA -0.282 56.055 56.400 -0.106 0.000 0.894 74 E CB 0.649 30.313 29.700 -0.059 0.000 1.008 74 E HN -0.004 nan 8.360 nan 0.000 0.420 75 R N 1.333 121.664 120.500 -0.282 0.000 2.457 75 R HA 0.390 4.730 4.340 -0.000 0.000 0.284 75 R C -0.193 175.980 176.300 -0.212 0.000 1.024 75 R CA -0.357 55.513 56.100 -0.382 0.000 1.025 75 R CB 0.467 30.360 30.300 -0.679 0.000 1.063 75 R HN 0.473 nan 8.270 nan 0.000 0.493 76 I N -0.372 120.099 120.570 -0.164 0.000 2.562 76 I HA 0.507 4.677 4.170 -0.000 0.000 0.301 76 I C -0.934 175.147 176.117 -0.061 0.000 1.003 76 I CA -1.320 59.941 61.300 -0.064 0.000 1.127 76 I CB 1.608 39.631 38.000 0.038 0.000 1.304 76 I HN 0.280 nan 8.210 nan 0.000 0.446 77 L N 6.520 127.731 121.223 -0.020 0.000 2.264 77 L HA 0.488 4.828 4.340 -0.000 0.000 0.289 77 L C -0.781 176.098 176.870 0.016 0.000 1.044 77 L CA -0.232 54.618 54.840 0.017 0.000 0.807 77 L CB 1.012 43.089 42.059 0.031 0.000 1.192 77 L HN 0.574 nan 8.230 nan 0.000 0.425 78 L N 6.530 127.782 121.223 0.047 0.000 2.265 78 L HA 0.427 4.767 4.340 -0.000 0.000 0.289 78 L C -0.610 176.257 176.870 -0.005 0.000 1.033 78 L CA -0.718 54.131 54.840 0.014 0.000 0.814 78 L CB 1.333 43.430 42.059 0.063 0.000 1.203 78 L HN 0.331 nan 8.230 nan 0.000 0.423 79 V N 4.831 124.688 119.914 -0.094 0.000 2.260 79 V HA 0.405 4.525 4.120 -0.000 0.000 0.263 79 V C 0.038 176.058 176.094 -0.124 0.000 1.036 79 V CA -0.107 62.108 62.300 -0.142 0.000 0.874 79 V CB 0.538 32.151 31.823 -0.349 0.000 1.116 79 V HN 0.759 nan 8.190 nan 0.000 0.454 80 M N 3.301 122.865 119.600 -0.060 0.000 2.327 80 M HA 0.582 5.062 4.480 -0.000 0.000 0.298 80 M C -0.591 175.710 176.300 0.003 0.000 1.065 80 M CA -0.487 54.766 55.300 -0.079 0.000 0.916 80 M CB 2.683 35.189 32.600 -0.157 0.000 1.630 80 M HN 0.239 nan 8.290 nan 0.000 0.442 81 L N 1.002 122.218 121.223 -0.011 0.000 2.476 81 L HA 0.104 4.444 4.340 -0.000 0.000 0.264 81 L C 0.046 176.912 176.870 -0.007 0.000 1.224 81 L CA -0.243 54.615 54.840 0.029 0.000 0.821 81 L CB 0.167 42.234 42.059 0.014 0.000 1.101 81 L HN 0.563 nan 8.230 nan 0.000 0.488 82 D N 0.943 121.347 120.400 0.007 0.000 2.398 82 D HA 0.179 4.819 4.640 -0.000 0.000 0.250 82 D C 0.151 176.423 176.300 -0.048 0.000 1.287 82 D CA 0.287 54.266 54.000 -0.036 0.000 0.992 82 D CB 0.157 40.950 40.800 -0.012 0.000 1.071 82 D HN 0.593 nan 8.370 nan 0.000 0.514 83 T N -2.528 111.965 114.554 -0.102 0.000 2.865 83 T HA 0.226 4.576 4.350 -0.000 0.000 0.294 83 T C 0.836 175.411 174.700 -0.208 0.000 1.119 83 T CA -0.813 61.218 62.100 -0.114 0.000 1.007 83 T CB 1.270 70.089 68.868 -0.082 0.000 1.225 83 T HN -0.060 nan 8.240 nan 0.000 0.515 84 V N 1.457 121.246 119.914 -0.209 0.000 2.720 84 V HA 0.034 4.154 4.120 -0.000 0.000 0.256 84 V C 2.742 178.718 176.094 -0.198 0.000 1.082 84 V CA 2.644 64.758 62.300 -0.310 0.000 1.101 84 V CB -1.357 30.366 31.823 -0.167 0.000 0.693 84 V HN 1.039 nan 8.190 nan 0.000 0.479 85 A N -0.436 122.318 122.820 -0.111 0.000 1.978 85 A HA -0.197 4.122 4.320 -0.000 0.000 0.220 85 A C 2.196 179.669 177.584 -0.185 0.000 1.170 85 A CA 2.172 54.178 52.037 -0.051 0.000 0.636 85 A CB -0.520 18.394 19.000 -0.143 0.000 0.810 85 A HN 0.607 nan 8.150 nan 0.000 0.448 86 L N -0.344 120.749 121.223 -0.217 0.000 1.988 86 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 86 L C -0.652 176.163 176.870 -0.091 0.000 1.071 86 L CA 1.600 56.334 54.840 -0.178 0.000 0.744 86 L CB -0.793 41.170 42.059 -0.160 0.000 0.893 86 L HN 0.212 nan 8.230 nan 0.000 0.433 87 P HA -0.161 nan 4.420 nan 0.000 0.216 87 P C 1.890 179.255 177.300 0.108 0.000 1.150 87 P CA 1.250 64.318 63.100 -0.054 0.000 0.837 87 P CB 0.026 31.543 31.700 -0.305 0.000 0.786 88 V N 0.086 120.034 119.914 0.056 0.000 2.295 88 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 88 V C 2.452 178.656 176.094 0.183 0.000 1.049 88 V CA 2.336 64.719 62.300 0.139 0.000 1.024 88 V CB -1.661 30.230 31.823 0.115 0.000 0.648 88 V HN 0.113 nan 8.190 nan 0.000 0.447 89 A N -0.739 122.150 122.820 0.114 0.000 1.873 89 A HA -0.200 4.120 4.320 -0.000 0.000 0.215 89 A C 2.111 179.851 177.584 0.260 0.000 1.186 89 A CA 1.893 53.917 52.037 -0.023 0.000 0.616 89 A CB -0.674 18.181 19.000 -0.242 0.000 0.823 89 A HN 0.517 nan 8.150 nan 0.000 0.442 90 F N 0.575 120.574 119.950 0.081 0.000 2.075 90 F HA -0.123 4.404 4.527 -0.000 0.000 0.297 90 F C 1.952 177.846 175.800 0.156 0.000 1.113 90 F CA 1.849 59.901 58.000 0.088 0.000 1.218 90 F CB -0.238 38.758 39.000 -0.007 0.000 0.984 90 F HN 0.128 nan 8.300 nan 0.000 0.472 91 L N -0.186 121.238 121.223 0.334 0.000 2.093 91 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 91 L C 2.780 179.836 176.870 0.311 0.000 1.085 91 L CA 1.257 56.264 54.840 0.280 0.000 0.755 91 L CB -1.532 40.748 42.059 0.367 0.000 0.904 91 L HN 0.360 nan 8.230 nan 0.000 0.435 92 G N -0.421 108.612 108.800 0.387 0.000 2.422 92 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 92 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 92 G C 1.779 176.886 174.900 0.346 0.000 1.146 92 G CA 0.804 46.170 45.100 0.444 0.000 0.769 92 G HN 0.457 nan 8.290 nan 0.000 0.547 93 A N 0.527 123.537 122.820 0.317 0.000 1.858 93 A HA 0.057 4.377 4.320 -0.000 0.000 0.216 93 A C 2.373 179.989 177.584 0.053 0.000 1.190 93 A CA 1.514 53.627 52.037 0.128 0.000 0.617 93 A CB -0.539 18.517 19.000 0.093 0.000 0.827 93 A HN 0.285 nan 8.150 nan 0.000 0.443 94 L N -1.924 119.289 121.223 -0.016 0.000 2.043 94 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 94 L C 2.416 179.380 176.870 0.156 0.000 1.075 94 L CA 2.120 56.983 54.840 0.038 0.000 0.752 94 L CB -0.996 41.049 42.059 -0.024 0.000 0.891 94 L HN 0.577 nan 8.230 nan 0.000 0.432 95 Y N -0.200 120.141 120.300 0.067 0.000 2.181 95 Y HA -0.262 4.288 4.550 -0.000 0.000 0.288 95 Y C 2.330 178.255 175.900 0.042 0.000 1.146 95 Y CA 1.478 59.624 58.100 0.077 0.000 1.164 95 Y CB -0.223 38.353 38.460 0.193 0.000 0.982 95 Y HN 0.157 nan 8.280 nan 0.000 0.515 96 A N -0.485 122.438 122.820 0.171 0.000 2.216 96 A HA 0.158 4.478 4.320 -0.000 0.000 0.214 96 A C 2.015 179.593 177.584 -0.009 0.000 1.160 96 A CA 1.123 53.188 52.037 0.047 0.000 0.725 96 A CB -1.474 17.533 19.000 0.011 0.000 0.784 96 A HN 0.917 nan 8.150 nan 0.000 0.472 97 G N -1.731 107.074 108.800 0.010 0.000 2.155 97 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.257 97 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.257 97 G C 0.231 175.139 174.900 0.014 0.000 0.983 97 G CA 0.346 45.462 45.100 0.026 0.000 0.676 97 G HN 0.800 nan 8.290 nan 0.000 0.528 98 V N 0.545 120.455 119.914 -0.006 0.000 2.607 98 V HA 0.472 4.592 4.120 -0.000 0.000 0.289 98 V C 0.870 176.922 176.094 -0.070 0.000 1.053 98 V CA -0.544 61.733 62.300 -0.039 0.000 0.996 98 V CB 1.903 33.702 31.823 -0.041 0.000 0.995 98 V HN 0.215 nan 8.190 nan 0.000 0.476 99 V N 7.742 127.575 119.914 -0.134 0.000 2.320 99 V HA 0.285 4.405 4.120 -0.000 0.000 0.265 99 V C -2.022 173.934 176.094 -0.229 0.000 1.048 99 V CA -1.543 60.639 62.300 -0.197 0.000 0.865 99 V CB 1.106 32.741 31.823 -0.313 0.000 1.043 99 V HN 0.764 nan 8.190 nan 0.000 0.474 100 P HA 0.293 nan 4.420 nan 0.000 0.278 100 P C -0.808 176.504 177.300 0.019 0.000 1.238 100 P CA -0.255 62.826 63.100 -0.032 0.000 0.794 100 P CB 1.825 33.555 31.700 0.049 0.000 0.955 101 V N 3.558 123.479 119.914 0.012 0.000 2.350 101 V HA 0.159 4.279 4.120 -0.000 0.000 0.285 101 V C 0.196 176.433 176.094 0.237 0.000 1.014 101 V CA -0.729 61.633 62.300 0.104 0.000 0.831 101 V CB 1.734 33.535 31.823 -0.038 0.000 1.000 101 V HN 0.245 nan 8.190 nan 0.000 0.433 102 V N 4.563 124.680 119.914 0.339 0.000 2.348 102 V HA 0.704 4.824 4.120 -0.000 0.000 0.270 102 V C 0.679 176.977 176.094 0.340 0.000 1.037 102 V CA -0.316 62.171 62.300 0.311 0.000 0.872 102 V CB 1.048 33.051 31.823 0.300 0.000 1.002 102 V HN 0.909 nan 8.190 nan 0.000 0.464 103 A N 4.272 127.239 122.820 0.245 0.000 2.295 103 A HA 0.559 4.879 4.320 -0.000 0.000 0.318 103 A C 0.346 177.797 177.584 -0.222 0.000 1.134 103 A CA -0.658 51.478 52.037 0.166 0.000 0.827 103 A CB 0.571 19.708 19.000 0.229 0.000 1.136 103 A HN 0.741 nan 8.150 nan 0.000 0.493 104 N N 0.824 119.193 118.700 -0.551 0.000 2.412 104 N HA -0.031 4.709 4.740 -0.000 0.000 0.258 104 N C 1.209 176.390 175.510 -0.549 0.000 1.236 104 N CA 1.054 53.287 53.050 -1.363 0.000 0.882 104 N CB 0.791 38.832 38.487 -0.743 0.000 1.066 104 N HN 0.668 nan 8.380 nan 0.000 0.465 105 T N 1.047 115.291 114.554 -0.517 0.000 3.129 105 T HA 0.103 4.453 4.350 -0.000 0.000 0.251 105 T C 1.368 176.093 174.700 0.041 0.000 1.117 105 T CA 0.255 62.316 62.100 -0.064 0.000 1.034 105 T CB 0.023 68.907 68.868 0.025 0.000 0.968 105 T HN 0.477 nan 8.240 nan 0.000 0.526 106 L N 1.005 122.203 121.223 -0.041 0.000 2.965 106 L HA 0.471 4.811 4.340 -0.000 0.000 0.254 106 L C -0.100 176.727 176.870 -0.071 0.000 1.220 106 L CA -0.200 54.632 54.840 -0.013 0.000 1.023 106 L CB 0.164 42.221 42.059 -0.003 0.000 1.355 106 L HN 0.268 nan 8.230 nan 0.000 0.545 107 L N -0.783 120.356 121.223 -0.140 0.000 2.448 107 L HA 0.409 4.749 4.340 -0.000 0.000 0.258 107 L C 0.936 177.579 176.870 -0.378 0.000 1.104 107 L CA -0.500 54.096 54.840 -0.406 0.000 0.800 107 L CB 1.206 42.784 42.059 -0.802 0.000 1.241 107 L HN 0.097 nan 8.230 nan 0.000 0.472 108 T N -3.574 110.748 114.554 -0.387 0.000 2.902 108 T HA 0.298 4.648 4.350 -0.000 0.000 0.280 108 T C -2.063 172.536 174.700 -0.169 0.000 0.992 108 T CA -1.814 60.171 62.100 -0.192 0.000 1.015 108 T CB 1.551 70.341 68.868 -0.130 0.000 1.044 108 T HN 0.287 nan 8.240 nan 0.000 0.520 109 P HA -0.076 nan 4.420 nan 0.000 0.216 109 P C 1.634 178.962 177.300 0.047 0.000 1.150 109 P CA 1.626 64.793 63.100 0.111 0.000 0.843 109 P CB -0.285 31.464 31.700 0.082 0.000 0.787 110 A N -0.177 122.633 122.820 -0.018 0.000 1.902 110 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 110 A C 2.011 179.569 177.584 -0.043 0.000 1.181 110 A CA 2.024 54.050 52.037 -0.019 0.000 0.623 110 A CB -1.399 17.579 19.000 -0.037 0.000 0.818 110 A HN 0.104 nan 8.150 nan 0.000 0.443 111 D N -0.916 119.388 120.400 -0.159 0.000 2.104 111 D HA -0.183 4.457 4.640 -0.000 0.000 0.194 111 D C 1.685 177.900 176.300 -0.142 0.000 0.994 111 D CA 1.639 55.493 54.000 -0.243 0.000 0.830 111 D CB -0.469 40.050 40.800 -0.468 0.000 0.959 111 D HN 0.601 nan 8.370 nan 0.000 0.452 112 Y N 0.873 121.169 120.300 -0.008 0.000 2.314 112 Y HA -0.082 4.468 4.550 -0.000 0.000 0.293 112 Y C 2.566 178.478 175.900 0.020 0.000 1.129 112 Y CA -0.053 58.045 58.100 -0.002 0.000 1.201 112 Y CB -0.874 37.578 38.460 -0.013 0.000 0.999 112 Y HN -0.177 nan 8.280 nan 0.000 0.541 113 V N -0.397 119.615 119.914 0.163 0.000 2.282 113 V HA -0.372 3.748 4.120 -0.000 0.000 0.249 113 V C 2.117 178.280 176.094 0.115 0.000 1.057 113 V CA 2.309 64.677 62.300 0.112 0.000 1.032 113 V CB -1.000 30.873 31.823 0.084 0.000 0.645 113 V HN 0.480 nan 8.190 nan 0.000 0.447 114 Y N 0.228 120.534 120.300 0.009 0.000 2.128 114 Y HA -0.290 4.260 4.550 -0.000 0.000 0.284 114 Y C 2.497 178.439 175.900 0.070 0.000 1.154 114 Y CA 2.144 60.249 58.100 0.009 0.000 1.149 114 Y CB -0.310 38.103 38.460 -0.078 0.000 0.976 114 Y HN 0.159 nan 8.280 nan 0.000 0.505 115 M N -0.438 119.167 119.600 0.009 0.000 2.117 115 M HA -0.229 4.251 4.480 -0.000 0.000 0.262 115 M C 2.173 178.541 176.300 0.113 0.000 1.065 115 M CA 1.714 57.025 55.300 0.019 0.000 1.114 115 M CB -0.471 32.189 32.600 0.100 0.000 1.361 115 M HN 0.332 nan 8.290 nan 0.000 0.408 116 L N -0.760 120.514 121.223 0.086 0.000 2.046 116 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 116 L C 2.495 179.376 176.870 0.018 0.000 1.077 116 L CA 1.325 56.198 54.840 0.056 0.000 0.747 116 L CB -0.913 41.172 42.059 0.043 0.000 0.896 116 L HN 0.312 nan 8.230 nan 0.000 0.432 117 T N -2.420 112.126 114.554 -0.013 0.000 2.770 117 T HA -0.216 4.134 4.350 -0.000 0.000 0.263 117 T C 1.826 176.514 174.700 -0.020 0.000 1.039 117 T CA 1.444 63.504 62.100 -0.066 0.000 1.142 117 T CB -0.293 68.548 68.868 -0.044 0.000 0.868 117 T HN 0.408 nan 8.240 nan 0.000 0.435 118 H N 1.701 120.700 119.070 -0.119 0.000 2.353 118 H HA -0.041 4.515 4.556 -0.000 0.000 0.300 118 H C 2.276 177.871 175.328 0.445 0.000 1.090 118 H CA 1.910 57.985 56.048 0.045 0.000 1.327 118 H CB -0.189 29.352 29.762 -0.367 0.000 1.383 118 H HN 0.361 nan 8.280 nan 0.000 0.508 119 S N -0.906 114.988 115.700 0.324 0.000 2.527 119 S HA -0.113 4.357 4.470 -0.000 0.000 0.222 119 S C 0.470 175.139 174.600 0.115 0.000 0.985 119 S CA 0.525 58.814 58.200 0.148 0.000 0.921 119 S CB -0.446 62.741 63.200 -0.022 0.000 0.772 119 S HN 0.767 nan 8.310 nan 0.000 0.529 120 H N 0.718 119.779 119.070 -0.014 0.000 2.776 120 H HA -0.169 4.387 4.556 -0.000 0.000 0.300 120 H C 0.637 175.919 175.328 -0.077 0.000 1.161 120 H CA 0.041 56.077 56.048 -0.021 0.000 1.147 120 H CB -2.126 27.646 29.762 0.016 0.000 1.366 120 H HN 0.779 nan 8.280 nan 0.000 0.397 121 A N 1.195 124.013 122.820 -0.003 0.000 2.598 121 A HA -0.028 4.292 4.320 -0.000 0.000 0.239 121 A C 1.489 179.056 177.584 -0.028 0.000 1.032 121 A CA 0.311 52.316 52.037 -0.054 0.000 0.760 121 A CB 0.396 19.374 19.000 -0.037 0.000 0.946 121 A HN 0.342 nan 8.150 nan 0.000 0.512 122 R N 1.182 121.658 120.500 -0.040 0.000 2.210 122 R HA 0.320 4.660 4.340 -0.000 0.000 0.203 122 R C 0.537 176.830 176.300 -0.010 0.000 1.010 122 R CA 1.148 57.233 56.100 -0.026 0.000 1.008 122 R CB -0.947 29.331 30.300 -0.037 0.000 0.923 122 R HN 0.930 nan 8.270 nan 0.000 0.469 123 A N -0.196 122.622 122.820 -0.003 0.000 2.594 123 A HA 0.604 4.924 4.320 -0.000 0.000 0.295 123 A C -1.426 176.169 177.584 0.018 0.000 1.071 123 A CA -0.600 51.450 52.037 0.022 0.000 0.685 123 A CB 2.059 21.094 19.000 0.059 0.000 1.285 123 A HN -0.061 nan 8.150 nan 0.000 0.405 124 V N 2.864 122.786 119.914 0.014 0.000 2.540 124 V HA 0.689 4.809 4.120 -0.000 0.000 0.302 124 V C -1.121 174.966 176.094 -0.012 0.000 1.035 124 V CA -0.667 61.627 62.300 -0.010 0.000 0.873 124 V CB 1.209 33.006 31.823 -0.044 0.000 0.992 124 V HN 0.690 nan 8.190 nan 0.000 0.428 125 I N 6.911 127.460 120.570 -0.034 0.000 2.321 125 I HA 0.739 4.909 4.170 -0.000 0.000 0.291 125 I C 0.305 176.328 176.117 -0.157 0.000 0.998 125 I CA -0.260 60.983 61.300 -0.094 0.000 1.227 125 I CB 1.567 39.465 38.000 -0.170 0.000 1.368 125 I HN 0.754 nan 8.210 nan 0.000 0.466 126 A N 4.447 127.175 122.820 -0.154 0.000 2.356 126 A HA 0.668 4.988 4.320 -0.000 0.000 0.310 126 A C -0.189 177.304 177.584 -0.151 0.000 1.075 126 A CA -0.517 51.423 52.037 -0.163 0.000 0.746 126 A CB 1.215 20.121 19.000 -0.157 0.000 1.221 126 A HN 0.604 nan 8.150 nan 0.000 0.443 127 S N 1.086 116.699 115.700 -0.146 0.000 2.558 127 S HA 0.273 4.743 4.470 -0.000 0.000 0.288 127 S C 1.801 176.356 174.600 -0.076 0.000 1.318 127 S CA 0.336 58.469 58.200 -0.111 0.000 1.056 127 S CB 1.082 64.230 63.200 -0.087 0.000 0.853 127 S HN 1.229 nan 8.310 nan 0.000 0.505 128 G N 2.448 111.215 108.800 -0.054 0.000 2.606 128 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.221 128 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.221 128 G C 1.453 176.335 174.900 -0.029 0.000 1.152 128 G CA 1.026 46.106 45.100 -0.034 0.000 0.765 128 G HN 0.870 nan 8.290 nan 0.000 0.595 129 A N -0.513 122.292 122.820 -0.025 0.000 2.125 129 A HA 0.258 4.577 4.320 -0.000 0.000 0.219 129 A C 2.099 179.673 177.584 -0.017 0.000 1.156 129 A CA 1.124 53.153 52.037 -0.014 0.000 0.671 129 A CB -0.140 18.858 19.000 -0.003 0.000 0.794 129 A HN 0.364 nan 8.150 nan 0.000 0.459 130 L N -1.253 119.947 121.223 -0.040 0.000 2.693 130 L HA 0.131 4.471 4.340 -0.000 0.000 0.235 130 L C 1.828 178.651 176.870 -0.079 0.000 1.127 130 L CA 0.141 54.946 54.840 -0.059 0.000 0.914 130 L CB 0.615 42.609 42.059 -0.109 0.000 1.193 130 L HN 0.118 nan 8.230 nan 0.000 0.502 131 V N -0.205 119.674 119.914 -0.059 0.000 2.332 131 V HA -0.361 3.759 4.120 -0.000 0.000 0.248 131 V C 2.491 178.563 176.094 -0.036 0.000 1.055 131 V CA 2.157 64.425 62.300 -0.053 0.000 1.038 131 V CB -0.350 31.452 31.823 -0.035 0.000 0.651 131 V HN 0.609 nan 8.190 nan 0.000 0.450 132 Q N 0.133 119.923 119.800 -0.018 0.000 2.050 132 Q HA -0.238 4.102 4.340 -0.000 0.000 0.202 132 Q C 2.143 178.149 176.000 0.010 0.000 0.980 132 Q CA 2.280 58.082 55.803 -0.001 0.000 0.840 132 Q CB -0.202 28.541 28.738 0.007 0.000 0.898 132 Q HN 0.771 nan 8.270 nan 0.000 0.424 133 N N -0.822 117.892 118.700 0.023 0.000 2.104 133 N HA -0.164 4.575 4.740 -0.000 0.000 0.190 133 N C 1.780 177.322 175.510 0.053 0.000 1.024 133 N CA 1.375 54.471 53.050 0.077 0.000 0.853 133 N CB 0.100 38.687 38.487 0.166 0.000 1.008 133 N HN 0.063 nan 8.380 nan 0.000 0.424 134 V N 0.605 120.480 119.914 -0.065 0.000 2.453 134 V HA -0.155 3.965 4.120 -0.000 0.000 0.247 134 V C 2.145 178.215 176.094 -0.041 0.000 1.048 134 V CA 1.548 63.774 62.300 -0.123 0.000 1.049 134 V CB -0.573 31.112 31.823 -0.230 0.000 0.672 134 V HN 0.364 nan 8.190 nan 0.000 0.457 135 T N -0.412 114.125 114.554 -0.028 0.000 2.708 135 T HA -0.245 4.105 4.350 -0.000 0.000 0.266 135 T C 1.948 176.652 174.700 0.007 0.000 1.037 135 T CA 1.620 63.715 62.100 -0.010 0.000 1.146 135 T CB -0.245 68.618 68.868 -0.008 0.000 0.865 135 T HN 0.518 nan 8.240 nan 0.000 0.435 136 Q N 0.544 120.355 119.800 0.019 0.000 2.096 136 Q HA -0.089 4.250 4.340 -0.000 0.000 0.204 136 Q C 2.770 178.793 176.000 0.038 0.000 0.982 136 Q CA 1.476 57.297 55.803 0.029 0.000 0.850 136 Q CB -0.370 28.390 28.738 0.036 0.000 0.901 136 Q HN 0.563 nan 8.270 nan 0.000 0.422 137 A N 1.083 123.938 122.820 0.058 0.000 1.883 137 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 137 A C 2.094 179.704 177.584 0.043 0.000 1.186 137 A CA 1.251 53.331 52.037 0.072 0.000 0.624 137 A CB -0.749 18.328 19.000 0.129 0.000 0.822 137 A HN 0.297 nan 8.150 nan 0.000 0.444 138 L N -0.737 120.501 121.223 0.024 0.000 2.201 138 L HA -0.177 4.163 4.340 -0.000 0.000 0.212 138 L C 2.465 179.342 176.870 0.012 0.000 1.105 138 L CA 1.304 56.151 54.840 0.013 0.000 0.775 138 L CB -0.425 41.635 42.059 0.001 0.000 0.913 138 L HN 0.481 nan 8.230 nan 0.000 0.440 139 E N -0.501 119.707 120.200 0.014 0.000 2.150 139 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 139 E C 0.518 177.126 176.600 0.013 0.000 0.985 139 E CA 0.614 57.021 56.400 0.012 0.000 0.814 139 E CB 0.094 29.801 29.700 0.012 0.000 0.752 139 E HN 0.355 nan 8.360 nan 0.000 0.466 140 S N 0.983 116.694 115.700 0.019 0.000 2.485 140 S HA 0.540 5.010 4.470 -0.000 0.000 0.312 140 S C -0.240 174.369 174.600 0.016 0.000 1.102 140 S CA -0.430 57.782 58.200 0.019 0.000 1.066 140 S CB 1.087 64.302 63.200 0.025 0.000 1.102 140 S HN 0.297 nan 8.310 nan 0.000 0.519 146 C N 2.354 121.649 119.300 -0.009 0.000 2.633 146 C HA 0.520 4.980 4.460 -0.000 0.000 0.415 146 C C 0.762 175.751 174.990 -0.000 0.000 1.393 146 C CA 0.172 59.187 59.018 -0.006 0.000 1.700 146 C CB -0.634 27.101 27.740 -0.008 0.000 2.541 146 C HN 0.530 nan 8.230 nan 0.000 0.603 147 Q N 3.800 123.603 119.800 0.006 0.000 2.243 147 Q HA 0.508 4.848 4.340 -0.000 0.000 0.252 147 Q C -0.503 175.508 176.000 0.019 0.000 0.909 147 Q CA -0.493 55.319 55.803 0.014 0.000 0.922 147 Q CB 1.640 30.391 28.738 0.022 0.000 1.215 147 Q HN 0.744 nan 8.270 nan 0.000 0.427 148 L N 3.417 124.650 121.223 0.016 0.000 2.292 148 L HA 0.503 4.843 4.340 -0.000 0.000 0.284 148 L C -1.332 175.558 176.870 0.034 0.000 1.065 148 L CA 0.151 54.998 54.840 0.012 0.000 0.806 148 L CB 0.646 42.704 42.059 -0.003 0.000 1.175 148 L HN 0.546 nan 8.230 nan 0.000 0.431 149 I N 5.320 125.916 120.570 0.042 0.000 2.498 149 I HA 0.418 4.588 4.170 -0.000 0.000 0.290 149 I C -0.941 175.198 176.117 0.037 0.000 1.032 149 I CA -0.886 60.463 61.300 0.082 0.000 1.073 149 I CB 2.117 40.224 38.000 0.178 0.000 1.251 149 I HN 0.245 nan 8.210 nan 0.000 0.426 150 V N 4.257 124.199 119.914 0.048 0.000 2.398 150 V HA 0.372 4.491 4.120 -0.000 0.000 0.286 150 V C 0.074 176.182 176.094 0.024 0.000 1.026 150 V CA -0.431 61.873 62.300 0.006 0.000 0.868 150 V CB 1.716 33.543 31.823 0.007 0.000 0.982 150 V HN 0.786 nan 8.190 nan 0.000 0.443 151 S N 4.775 120.435 115.700 -0.067 0.000 2.437 151 S HA 0.414 4.884 4.470 -0.000 0.000 0.305 151 S C -0.450 174.121 174.600 -0.048 0.000 1.109 151 S CA -0.810 57.339 58.200 -0.085 0.000 1.099 151 S CB 0.981 63.964 63.200 -0.363 0.000 1.004 151 S HN 0.679 nan 8.310 nan 0.000 0.475 152 Q N 5.302 125.105 119.800 0.006 0.000 2.390 152 Q HA 0.374 4.714 4.340 -0.000 0.000 0.249 152 Q C -1.971 174.027 176.000 -0.004 0.000 0.996 152 Q CA -1.607 54.196 55.803 0.001 0.000 0.899 152 Q CB 0.751 29.500 28.738 0.018 0.000 1.216 152 Q HN 0.629 nan 8.270 nan 0.000 0.465 161 A N 4.800 127.630 122.820 0.016 0.000 2.306 161 A HA 0.993 5.313 4.320 -0.000 0.000 0.330 161 A C -2.536 175.067 177.584 0.031 0.000 1.146 161 A CA -1.489 50.561 52.037 0.021 0.000 0.827 161 A CB 0.305 19.316 19.000 0.018 0.000 1.178 161 A HN 0.502 nan 8.150 nan 0.000 0.490 162 P HA 0.185 nan 4.420 nan 0.000 0.266 162 P C -1.016 176.327 177.300 0.073 0.000 1.193 162 P CA 0.337 63.468 63.100 0.053 0.000 0.770 162 P CB 0.228 31.965 31.700 0.061 0.000 0.836 163 L N 3.307 124.575 121.223 0.075 0.000 2.275 163 L HA 0.268 4.608 4.340 -0.000 0.000 0.288 163 L C 1.528 178.487 176.870 0.149 0.000 1.046 163 L CA -0.650 54.250 54.840 0.100 0.000 0.805 163 L CB 0.553 42.652 42.059 0.068 0.000 1.193 163 L HN 0.354 nan 8.230 nan 0.000 0.426 164 F N 2.391 122.346 119.950 0.008 0.000 2.063 164 F HA -0.298 4.229 4.527 -0.000 0.000 0.298 164 F C 2.231 178.035 175.800 0.008 0.000 1.105 164 F CA 2.055 60.057 58.000 0.002 0.000 1.215 164 F CB 0.193 39.146 39.000 -0.078 0.000 0.972 164 F HN 0.589 nan 8.300 nan 0.000 0.483 165 E N 0.353 120.584 120.200 0.051 0.000 2.106 165 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 165 E C 2.208 178.764 176.600 -0.074 0.000 0.984 165 E CA 1.472 57.831 56.400 -0.068 0.000 0.806 165 E CB -0.535 29.176 29.700 0.018 0.000 0.750 165 E HN 0.632 nan 8.360 nan 0.000 0.458 166 E N 0.695 120.883 120.200 -0.019 0.000 2.047 166 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 166 E C 2.389 178.975 176.600 -0.023 0.000 0.987 166 E CA 0.606 56.998 56.400 -0.014 0.000 0.799 166 E CB -0.188 29.518 29.700 0.010 0.000 0.752 166 E HN 0.193 nan 8.360 nan 0.000 0.449 167 L N 0.811 122.028 121.223 -0.011 0.000 2.081 167 L HA -0.233 4.107 4.340 -0.000 0.000 0.212 167 L C 2.491 179.337 176.870 -0.041 0.000 1.080 167 L CA 1.103 55.939 54.840 -0.006 0.000 0.754 167 L CB -0.502 41.586 42.059 0.049 0.000 0.893 167 L HN 0.175 nan 8.230 nan 0.000 0.433 168 I N -0.518 119.990 120.570 -0.105 0.000 2.286 168 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 168 I C 2.128 178.192 176.117 -0.089 0.000 1.104 168 I CA 0.968 62.194 61.300 -0.124 0.000 1.397 168 I CB -0.421 37.417 38.000 -0.270 0.000 1.072 168 I HN 0.224 nan 8.210 nan 0.000 0.417 169 D N 1.396 121.748 120.400 -0.080 0.000 2.158 169 D HA -0.191 4.449 4.640 -0.000 0.000 0.197 169 D C 2.168 178.442 176.300 -0.043 0.000 0.995 169 D CA 1.693 55.660 54.000 -0.055 0.000 0.846 169 D CB -0.119 40.656 40.800 -0.042 0.000 0.941 169 D HN 0.368 nan 8.370 nan 0.000 0.456 170 A N 0.272 123.070 122.820 -0.037 0.000 2.119 170 A HA 0.298 4.618 4.320 -0.000 0.000 0.217 170 A C 1.290 178.855 177.584 -0.031 0.000 1.153 170 A CA 0.875 52.895 52.037 -0.028 0.000 0.692 170 A CB -0.102 18.886 19.000 -0.020 0.000 0.799 170 A HN 0.223 nan 8.150 nan 0.000 0.458 171 A N -0.463 122.334 122.820 -0.039 0.000 2.293 171 A HA 0.702 5.022 4.320 -0.000 0.000 0.302 171 A C 0.433 177.992 177.584 -0.043 0.000 1.119 171 A CA 0.052 52.065 52.037 -0.041 0.000 0.823 171 A CB 0.359 19.331 19.000 -0.047 0.000 1.097 171 A HN 1.077 nan 8.150 nan 0.000 0.491 172 A N 2.498 125.295 122.820 -0.039 0.000 2.316 172 A HA 0.690 5.010 4.320 -0.000 0.000 0.284 172 A C -2.441 175.114 177.584 -0.048 0.000 1.115 172 A CA -1.684 50.329 52.037 -0.041 0.000 0.812 172 A CB -0.274 18.708 19.000 -0.031 0.000 1.064 172 A HN 0.619 nan 8.150 nan 0.000 0.489 173 P HA 0.191 nan 4.420 nan 0.000 0.265 173 P C -0.124 177.151 177.300 -0.042 0.000 1.193 173 P CA 0.321 63.368 63.100 -0.088 0.000 0.765 173 P CB 0.422 32.048 31.700 -0.123 0.000 0.823 174 A N 3.499 126.314 122.820 -0.010 0.000 2.520 174 A HA 0.330 4.650 4.320 -0.000 0.000 0.245 174 A C 1.669 179.354 177.584 0.167 0.000 1.072 174 A CA 0.351 52.452 52.037 0.107 0.000 0.761 174 A CB -0.235 18.909 19.000 0.239 0.000 1.004 174 A HN 0.600 nan 8.150 nan 0.000 0.499 175 A N 2.355 125.247 122.820 0.120 0.000 2.014 175 A HA 0.128 4.448 4.320 -0.000 0.000 0.218 175 A C 1.125 178.800 177.584 0.152 0.000 1.163 175 A CA 1.746 53.843 52.037 0.100 0.000 0.652 175 A CB -0.056 18.971 19.000 0.046 0.000 0.808 175 A HN 0.768 nan 8.150 nan 0.000 0.449 176 K N -1.533 118.962 120.400 0.158 0.000 2.523 176 K HA 0.583 4.902 4.320 -0.000 0.000 0.257 176 K C -0.756 175.714 176.600 -0.216 0.000 0.932 176 K CA -0.386 55.925 56.287 0.040 0.000 0.812 176 K CB 1.927 34.413 32.500 -0.023 0.000 1.326 176 K HN 0.209 nan 8.250 nan 0.000 0.433 177 A N 1.808 124.247 122.820 -0.635 0.000 2.406 177 A HA 0.537 4.856 4.320 -0.000 0.000 0.243 177 A C -0.014 177.299 177.584 -0.452 0.000 1.082 177 A CA 0.198 51.607 52.037 -1.047 0.000 0.786 177 A CB 0.244 18.670 19.000 -0.957 0.000 1.029 177 A HN 0.818 nan 8.150 nan 0.000 0.495 178 A N 0.572 123.177 122.820 -0.357 0.000 2.520 178 A HA 0.453 4.773 4.320 -0.000 0.000 0.235 178 A C 0.973 178.439 177.584 -0.197 0.000 1.065 178 A CA 0.340 52.257 52.037 -0.200 0.000 0.764 178 A CB -0.249 18.676 19.000 -0.125 0.000 1.002 178 A HN 2.140 nan 8.150 nan 0.000 0.502 179 A N 2.913 125.652 122.820 -0.135 0.000 3.051 179 A HA 0.463 4.783 4.320 -0.000 0.000 0.257 179 A C 1.000 178.523 177.584 -0.102 0.000 1.785 179 A CA 0.374 52.343 52.037 -0.114 0.000 1.420 179 A CB -1.573 17.381 19.000 -0.077 0.000 1.063 179 A HN 1.192 nan 8.150 nan 0.000 0.630 180 T N -1.807 112.653 114.554 -0.156 0.000 2.874 180 T HA 0.647 4.997 4.350 -0.000 0.000 0.281 180 T C 0.520 175.149 174.700 -0.118 0.000 0.994 180 T CA -0.058 61.951 62.100 -0.152 0.000 1.015 180 T CB 1.777 70.448 68.868 -0.327 0.000 1.028 180 T HN 0.578 nan 8.240 nan 0.000 0.523 181 G N -1.319 107.463 108.800 -0.030 0.000 2.735 181 G HA2 0.437 4.397 3.960 -0.000 0.000 0.301 181 G HA3 0.437 4.397 3.960 -0.000 0.000 0.301 181 G C 0.920 175.906 174.900 0.143 0.000 1.279 181 G CA -0.724 44.402 45.100 0.043 0.000 1.019 181 G HN 0.926 nan 8.290 nan 0.000 0.497 182 C N -0.547 118.849 119.300 0.161 0.000 2.403 182 C HA -0.039 4.421 4.460 -0.000 0.000 0.277 182 C C 1.959 177.069 174.990 0.200 0.000 1.248 182 C CA 1.027 60.145 59.018 0.166 0.000 1.762 182 C CB -0.426 27.272 27.740 -0.070 0.000 2.014 182 C HN 0.660 nan 8.230 nan 0.000 0.486 183 D N -0.066 120.414 120.400 0.134 0.000 2.349 183 D HA 0.083 4.723 4.640 -0.000 0.000 0.214 183 D C 0.123 176.499 176.300 0.125 0.000 1.063 183 D CA 0.423 54.491 54.000 0.113 0.000 0.847 183 D CB -0.356 40.479 40.800 0.059 0.000 0.933 183 D HN 0.507 nan 8.370 nan 0.000 0.513 184 D N 0.469 120.978 120.400 0.180 0.000 2.382 184 D HA 0.093 4.733 4.640 -0.000 0.000 0.245 184 D C 0.872 177.306 176.300 0.223 0.000 1.120 184 D CA -0.163 53.953 54.000 0.193 0.000 0.890 184 D CB 1.362 42.281 40.800 0.198 0.000 1.201 184 D HN 0.064 nan 8.370 nan 0.000 0.433 185 I N 1.856 122.509 120.570 0.139 0.000 2.668 185 I HA -0.071 4.099 4.170 -0.000 0.000 0.285 185 I C 1.261 177.418 176.117 0.066 0.000 1.168 185 I CA 0.222 61.574 61.300 0.087 0.000 1.424 185 I CB 0.856 38.916 38.000 0.100 0.000 1.377 185 I HN 0.425 nan 8.210 nan 0.000 0.560 186 A N 7.492 130.287 122.820 -0.042 0.000 1.984 186 A HA 0.401 4.721 4.320 -0.000 0.000 0.203 186 A C 0.316 177.943 177.584 0.072 0.000 1.292 186 A CA 0.418 52.354 52.037 -0.169 0.000 0.782 186 A CB 0.322 19.066 19.000 -0.427 0.000 0.924 186 A HN 0.719 nan 8.150 nan 0.000 0.475 187 F N -4.790 115.172 119.950 0.019 0.000 2.817 187 F HA 0.733 5.260 4.527 -0.000 0.000 0.317 187 F C -2.072 173.968 175.800 0.401 0.000 1.168 187 F CA -1.843 56.213 58.000 0.093 0.000 0.911 187 F CB 0.544 39.633 39.000 0.149 0.000 1.337 187 F HN 0.009 nan 8.300 nan 0.000 0.464 188 W N 1.705 123.061 121.300 0.093 0.000 2.882 188 W HA 0.835 5.495 4.660 -0.000 0.000 0.345 188 W C -1.527 175.144 176.519 0.253 0.000 1.125 188 W CA -1.885 55.453 57.345 -0.011 0.000 1.167 188 W CB 1.447 30.805 29.460 -0.170 0.000 1.431 188 W HN 0.583 nan 8.180 nan 0.000 0.543 189 L N 1.300 122.791 121.223 0.447 0.000 2.388 189 L HA 0.453 4.793 4.340 -0.000 0.000 0.264 189 L C -1.132 175.883 176.870 0.242 0.000 0.998 189 L CA -1.309 53.776 54.840 0.409 0.000 0.817 189 L CB 1.843 44.191 42.059 0.482 0.000 1.338 189 L HN 0.187 nan 8.230 nan 0.000 0.414 190 Y N 0.735 121.255 120.300 0.368 0.000 2.316 190 Y HA 0.364 4.914 4.550 -0.000 0.000 0.331 190 Y C 0.663 176.698 175.900 0.224 0.000 1.083 190 Y CA 0.491 58.760 58.100 0.282 0.000 1.206 190 Y CB 1.850 40.456 38.460 0.243 0.000 1.195 190 Y HN 0.524 nan 8.280 nan 0.000 0.497 198 P HA 0.168 nan 4.420 nan 0.000 0.269 198 P C -0.887 176.493 177.300 0.134 0.000 1.209 198 P CA -0.116 62.931 63.100 -0.088 0.000 0.776 198 P CB 0.477 32.114 31.700 -0.105 0.000 0.876 199 K N 1.217 121.701 120.400 0.139 0.000 2.240 199 K HA 0.428 4.748 4.320 -0.000 0.000 0.271 199 K C 0.507 177.240 176.600 0.222 0.000 1.018 199 K CA -0.647 55.657 56.287 0.030 0.000 0.874 199 K CB 1.418 33.574 32.500 -0.572 0.000 1.098 199 K HN 0.553 nan 8.250 nan 0.000 0.458 200 G N 2.446 111.353 108.800 0.179 0.000 2.404 200 G HA2 0.012 3.972 3.960 -0.000 0.000 0.289 200 G HA3 0.012 3.972 3.960 -0.000 0.000 0.289 200 G C -0.242 174.542 174.900 -0.195 0.000 1.074 200 G CA -0.116 44.835 45.100 -0.248 0.000 1.210 200 G HN 0.435 nan 8.290 nan 0.000 0.434 201 T N 2.516 117.037 114.554 -0.056 0.000 2.727 201 T HA 0.284 4.634 4.350 -0.000 0.000 0.298 201 T C 0.405 174.928 174.700 -0.296 0.000 0.942 201 T CA -0.300 61.803 62.100 0.004 0.000 0.997 201 T CB 1.474 70.485 68.868 0.238 0.000 0.917 201 T HN 0.209 nan 8.240 nan 0.000 0.487 202 V N 6.049 125.652 119.914 -0.519 0.000 2.385 202 V HA 0.266 4.386 4.120 -0.000 0.000 0.269 202 V C 0.210 175.932 176.094 -0.620 0.000 1.043 202 V CA -0.602 61.372 62.300 -0.543 0.000 0.906 202 V CB 0.216 31.770 31.823 -0.449 0.000 0.995 202 V HN 0.803 nan 8.190 nan 0.000 0.467 203 H N 2.250 121.046 119.070 -0.456 0.000 2.621 203 H HA 0.560 5.116 4.556 -0.000 0.000 0.360 203 H C 0.235 175.350 175.328 -0.354 0.000 1.163 203 H CA -0.291 55.447 56.048 -0.516 0.000 1.194 203 H CB 2.439 31.604 29.762 -0.995 0.000 1.649 203 H HN 0.734 nan 8.280 nan 0.000 0.532 204 T N -1.899 112.665 114.554 0.017 0.000 2.897 204 T HA 0.160 4.510 4.350 -0.000 0.000 0.278 204 T C 1.284 176.104 174.700 0.200 0.000 0.981 204 T CA -0.608 61.555 62.100 0.106 0.000 0.973 204 T CB 1.104 70.064 68.868 0.152 0.000 1.092 204 T HN 0.564 nan 8.240 nan 0.000 0.543 205 H N 0.320 119.557 119.070 0.277 0.000 2.353 205 H HA -0.037 4.519 4.556 -0.000 0.000 0.300 205 H C 2.546 178.115 175.328 0.401 0.000 1.090 205 H CA 1.710 57.986 56.048 0.380 0.000 1.327 205 H CB -0.512 29.499 29.762 0.414 0.000 1.383 205 H HN 0.800 nan 8.280 nan 0.000 0.508 206 A N 1.685 124.744 122.820 0.399 0.000 1.940 206 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 206 A C 2.195 179.982 177.584 0.338 0.000 1.176 206 A CA 1.615 53.779 52.037 0.212 0.000 0.631 206 A CB -0.299 18.835 19.000 0.224 0.000 0.814 206 A HN 0.403 nan 8.150 nan 0.000 0.446 207 N N 0.258 119.169 118.700 0.352 0.000 2.120 207 N HA -0.109 4.631 4.740 -0.000 0.000 0.188 207 N C 1.627 177.291 175.510 0.258 0.000 1.024 207 N CA 1.370 54.643 53.050 0.371 0.000 0.852 207 N CB -0.562 38.146 38.487 0.369 0.000 1.003 207 N HN 0.535 nan 8.380 nan 0.000 0.424 208 L N -0.263 121.013 121.223 0.088 0.000 1.970 208 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 208 L C 2.330 179.109 176.870 -0.152 0.000 1.071 208 L CA 1.501 56.201 54.840 -0.234 0.000 0.751 208 L CB -0.783 40.707 42.059 -0.949 0.000 0.889 208 L HN 0.131 nan 8.230 nan 0.000 0.432 209 Y N -0.256 119.902 120.300 -0.237 0.000 2.069 209 Y HA -0.348 4.202 4.550 -0.000 0.000 0.278 209 Y C 2.229 178.070 175.900 -0.099 0.000 1.175 209 Y CA 1.836 59.922 58.100 -0.023 0.000 1.134 209 Y CB -0.645 37.679 38.460 -0.226 0.000 0.965 209 Y HN 0.086 nan 8.280 nan 0.000 0.498 210 W N 0.388 121.765 121.300 0.129 0.000 2.374 210 W HA -0.181 4.479 4.660 -0.000 0.000 0.288 210 W C 2.837 179.394 176.519 0.063 0.000 1.218 210 W CA 1.994 59.351 57.345 0.021 0.000 1.245 210 W CB -0.728 28.785 29.460 0.088 0.000 1.126 210 W HN 0.257 nan 8.180 nan 0.000 0.545 211 T N -2.233 112.538 114.554 0.362 0.000 2.821 211 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 211 T C 1.878 176.731 174.700 0.256 0.000 1.046 211 T CA 1.433 63.776 62.100 0.405 0.000 1.139 211 T CB -0.724 68.411 68.868 0.446 0.000 0.871 211 T HN 0.074 nan 8.240 nan 0.000 0.454 212 A N 1.825 124.750 122.820 0.176 0.000 1.898 212 A HA -0.039 4.281 4.320 -0.000 0.000 0.216 212 A C 2.479 179.975 177.584 -0.148 0.000 1.181 212 A CA 1.308 53.333 52.037 -0.020 0.000 0.620 212 A CB -0.485 18.610 19.000 0.158 0.000 0.819 212 A HN 0.465 nan 8.150 nan 0.000 0.442 213 E N -0.086 120.004 120.200 -0.184 0.000 2.107 213 E HA -0.068 4.282 4.350 -0.000 0.000 0.191 213 E C 2.000 178.602 176.600 0.003 0.000 0.982 213 E CA 0.941 57.236 56.400 -0.174 0.000 0.809 213 E CB -0.221 29.242 29.700 -0.394 0.000 0.756 213 E HN 0.687 nan 8.360 nan 0.000 0.459 214 L N -1.244 120.056 121.223 0.128 0.000 2.221 214 L HA -0.002 4.338 4.340 -0.000 0.000 0.202 214 L C 2.364 179.347 176.870 0.188 0.000 1.074 214 L CA 0.598 55.561 54.840 0.205 0.000 0.795 214 L CB -0.267 41.988 42.059 0.327 0.000 0.960 214 L HN 0.056 nan 8.230 nan 0.000 0.458 215 Y N 0.426 120.747 120.300 0.036 0.000 2.314 215 Y HA 0.191 4.741 4.550 -0.000 0.000 0.294 215 Y C 2.480 178.218 175.900 -0.270 0.000 1.139 215 Y CA 0.882 58.946 58.100 -0.059 0.000 1.162 215 Y CB -0.127 38.339 38.460 0.010 0.000 1.121 215 Y HN -0.027 nan 8.280 nan 0.000 0.529 216 A N 0.940 123.371 122.820 -0.649 0.000 1.855 216 A HA -0.111 4.209 4.320 -0.000 0.000 0.215 216 A C 2.130 179.398 177.584 -0.526 0.000 1.191 216 A CA 1.941 53.403 52.037 -0.959 0.000 0.613 216 A CB -0.525 17.578 19.000 -1.495 0.000 0.829 216 A HN 0.491 nan 8.150 nan 0.000 0.442 217 K N -0.717 119.479 120.400 -0.339 0.000 2.007 217 K HA -0.056 4.264 4.320 -0.000 0.000 0.206 217 K C -0.646 175.846 176.600 -0.181 0.000 1.047 217 K CA 1.580 57.745 56.287 -0.203 0.000 0.937 217 K CB -0.987 31.438 32.500 -0.126 0.000 0.718 217 K HN 0.359 nan 8.250 nan 0.000 0.438 218 P HA -0.063 nan 4.420 nan 0.000 0.220 218 P C 1.026 178.229 177.300 -0.162 0.000 1.152 218 P CA 0.972 64.000 63.100 -0.120 0.000 0.812 218 P CB 0.216 31.882 31.700 -0.057 0.000 0.792 219 I N -1.634 118.761 120.570 -0.291 0.000 2.900 219 I HA 0.034 4.204 4.170 -0.000 0.000 0.251 219 I C 2.102 177.997 176.117 -0.369 0.000 1.102 219 I CA 0.499 61.610 61.300 -0.315 0.000 1.457 219 I CB -1.633 36.147 38.000 -0.367 0.000 1.285 219 I HN -0.113 nan 8.210 nan 0.000 0.459 220 L N 2.116 122.961 121.223 -0.630 0.000 2.083 220 L HA 0.087 4.427 4.340 -0.000 0.000 0.209 220 L C 1.371 178.105 176.870 -0.226 0.000 1.083 220 L CA 1.854 56.453 54.840 -0.402 0.000 0.752 220 L CB -0.959 40.838 42.059 -0.437 0.000 0.899 220 L HN 0.574 nan 8.230 nan 0.000 0.433 221 G N 0.216 108.878 108.800 -0.231 0.000 2.198 221 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.257 221 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.257 221 G C 0.454 175.294 174.900 -0.099 0.000 1.042 221 G CA 0.441 45.458 45.100 -0.138 0.000 0.791 221 G HN 0.518 nan 8.290 nan 0.000 0.502 222 I N 0.629 121.133 120.570 -0.111 0.000 2.710 222 I HA 0.451 4.621 4.170 -0.000 0.000 0.286 222 I C 0.686 176.787 176.117 -0.028 0.000 1.181 222 I CA 0.521 61.796 61.300 -0.042 0.000 1.430 222 I CB 0.630 38.635 38.000 0.007 0.000 1.367 222 I HN 0.528 nan 8.210 nan 0.000 0.577 223 A N 5.805 128.624 122.820 -0.002 0.000 2.430 223 A HA 0.304 4.624 4.320 -0.000 0.000 0.300 223 A C 0.727 178.318 177.584 0.012 0.000 1.124 223 A CA -0.586 51.449 52.037 -0.003 0.000 0.766 223 A CB 1.379 20.375 19.000 -0.006 0.000 1.328 223 A HN 0.853 nan 8.150 nan 0.000 0.424 224 E N 0.379 120.580 120.200 0.001 0.000 2.114 224 E HA -0.294 4.056 4.350 -0.000 0.000 0.199 224 E C 1.073 177.681 176.600 0.014 0.000 1.008 224 E CA 2.202 58.601 56.400 -0.001 0.000 0.810 224 E CB -0.019 29.668 29.700 -0.022 0.000 0.739 224 E HN 0.684 nan 8.360 nan 0.000 0.456 225 N N 0.683 119.391 118.700 0.014 0.000 2.398 225 N HA -0.042 4.698 4.740 -0.000 0.000 0.188 225 N C -0.641 174.888 175.510 0.031 0.000 1.122 225 N CA 0.145 53.208 53.050 0.020 0.000 0.866 225 N CB 0.217 38.713 38.487 0.014 0.000 0.970 225 N HN 0.086 nan 8.380 nan 0.000 0.462 226 D N -0.132 120.289 120.400 0.036 0.000 2.399 226 D HA 0.045 4.685 4.640 -0.000 0.000 0.241 226 D C -0.449 175.887 176.300 0.060 0.000 1.133 226 D CA 0.250 54.279 54.000 0.047 0.000 0.890 226 D CB 1.541 42.370 40.800 0.049 0.000 1.201 226 D HN -0.205 nan 8.370 nan 0.000 0.432 227 V N 2.478 122.434 119.914 0.070 0.000 2.409 227 V HA 0.340 4.460 4.120 -0.000 0.000 0.291 227 V C 0.187 176.357 176.094 0.126 0.000 1.020 227 V CA -0.737 61.612 62.300 0.082 0.000 0.848 227 V CB 1.684 33.551 31.823 0.074 0.000 0.990 227 V HN 0.394 nan 8.190 nan 0.000 0.430 228 V N 2.685 122.700 119.914 0.168 0.000 2.864 228 V HA 0.827 4.947 4.120 -0.000 0.000 0.314 228 V C -1.320 175.018 176.094 0.406 0.000 1.073 228 V CA -0.798 61.657 62.300 0.257 0.000 0.956 228 V CB 2.152 34.163 31.823 0.314 0.000 1.023 228 V HN 0.681 nan 8.190 nan 0.000 0.435 229 F N 3.015 123.136 119.950 0.284 0.000 2.671 229 F HA 0.721 5.248 4.527 -0.000 0.000 0.332 229 F C -0.361 175.664 175.800 0.376 0.000 1.189 229 F CA -0.707 57.474 58.000 0.300 0.000 0.988 229 F CB 1.677 40.861 39.000 0.306 0.000 1.258 229 F HN 0.785 nan 8.300 nan 0.000 0.471 230 S N 4.744 120.375 115.700 -0.114 0.000 2.438 230 S HA 0.645 5.115 4.470 -0.000 0.000 0.293 230 S C 0.963 175.094 174.600 -0.783 0.000 1.141 230 S CA 0.131 58.051 58.200 -0.467 0.000 1.080 230 S CB 1.108 63.933 63.200 -0.625 0.000 0.978 230 S HN 0.951 nan 8.310 nan 0.000 0.479 231 A N 4.982 127.308 122.820 -0.822 0.000 1.933 231 A HA 0.293 4.613 4.320 -0.000 0.000 0.218 231 A C 1.345 178.754 177.584 -0.291 0.000 1.175 231 A CA 1.151 52.905 52.037 -0.471 0.000 0.628 231 A CB -1.011 17.849 19.000 -0.232 0.000 0.814 231 A HN 1.187 nan 8.150 nan 0.000 0.444 232 A N 1.105 123.721 122.820 -0.339 0.000 2.524 232 A HA 0.404 4.724 4.320 -0.000 0.000 0.250 232 A C 0.298 177.676 177.584 -0.344 0.000 1.078 232 A CA -0.277 51.616 52.037 -0.239 0.000 0.761 232 A CB 0.099 18.932 19.000 -0.278 0.000 1.012 232 A HN 0.314 nan 8.150 nan 0.000 0.500 233 K N 2.162 122.349 120.400 -0.356 0.000 2.180 233 K HA 0.190 4.510 4.320 -0.000 0.000 0.251 233 K C 1.040 177.321 176.600 -0.530 0.000 1.014 233 K CA -0.294 55.705 56.287 -0.481 0.000 0.913 233 K CB 0.440 32.482 32.500 -0.765 0.000 1.008 233 K HN 0.660 nan 8.250 nan 0.000 0.490 234 L N 1.069 122.068 121.223 -0.374 0.000 2.376 234 L HA -0.092 4.248 4.340 -0.000 0.000 0.219 234 L C 1.796 178.545 176.870 -0.201 0.000 1.133 234 L CA 0.708 55.362 54.840 -0.309 0.000 0.816 234 L CB -0.383 41.523 42.059 -0.255 0.000 0.933 234 L HN 0.571 nan 8.230 nan 0.000 0.449 235 F N -1.870 118.083 119.950 0.004 0.000 2.710 235 F HA 0.089 4.616 4.527 -0.000 0.000 0.298 235 F C 0.789 176.706 175.800 0.195 0.000 1.137 235 F CA -0.713 57.340 58.000 0.088 0.000 1.444 235 F CB -0.732 38.337 39.000 0.114 0.000 1.111 235 F HN -0.173 nan 8.300 nan 0.000 0.580 236 F N 2.143 121.896 119.950 -0.329 0.000 2.420 236 F HA 0.634 5.161 4.527 -0.000 0.000 0.352 236 F C 1.343 177.090 175.800 -0.089 0.000 1.108 236 F CA -1.854 56.072 58.000 -0.124 0.000 1.162 236 F CB 0.971 39.787 39.000 -0.307 0.000 1.118 236 F HN 0.071 nan 8.300 nan 0.000 0.510 237 A N 6.489 129.423 122.820 0.189 0.000 1.940 237 A HA -0.307 4.012 4.320 -0.000 0.000 0.221 237 A C 1.948 179.326 177.584 -0.343 0.000 1.190 237 A CA 2.201 54.216 52.037 -0.037 0.000 0.647 237 A CB -1.666 17.388 19.000 0.091 0.000 0.821 237 A HN 0.891 nan 8.150 nan 0.000 0.457 238 Y N 0.701 120.367 120.300 -1.056 0.000 2.053 238 Y HA -0.148 4.402 4.550 -0.000 0.000 0.277 238 Y C 2.550 177.994 175.900 -0.761 0.000 1.159 238 Y CA 1.638 59.030 58.100 -1.179 0.000 1.125 238 Y CB -1.095 36.292 38.460 -1.789 0.000 0.969 238 Y HN 0.200 nan 8.280 nan 0.000 0.492 239 G N 0.084 108.354 108.800 -0.883 0.000 2.432 239 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.219 239 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.219 239 G C 1.675 176.206 174.900 -0.614 0.000 1.135 239 G CA 0.953 45.604 45.100 -0.749 0.000 0.767 239 G HN 0.468 nan 8.290 nan 0.000 0.550 240 L N 1.470 122.390 121.223 -0.504 0.000 2.012 240 L HA 0.110 4.449 4.340 -0.000 0.000 0.210 240 L C 2.808 179.319 176.870 -0.599 0.000 1.073 240 L CA 2.420 56.959 54.840 -0.502 0.000 0.748 240 L CB -0.954 40.839 42.059 -0.444 0.000 0.891 240 L HN 0.161 nan 8.230 nan 0.000 0.431 241 G N -0.981 107.405 108.800 -0.690 0.000 2.433 241 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.216 241 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.216 241 G C 1.402 175.340 174.900 -1.604 0.000 1.186 241 G CA 0.815 45.103 45.100 -1.353 0.000 0.779 241 G HN 0.457 nan 8.290 nan 0.000 0.543 242 N N 1.087 119.042 118.700 -1.241 0.000 2.104 242 N HA -0.067 4.673 4.740 -0.000 0.000 0.190 242 N C 2.111 177.167 175.510 -0.755 0.000 1.024 242 N CA 1.557 53.806 53.050 -1.335 0.000 0.853 242 N CB -0.559 36.690 38.487 -2.064 0.000 1.008 242 N HN 0.357 nan 8.380 nan 0.000 0.424 243 G N -1.247 107.214 108.800 -0.565 0.000 3.159 243 G HA2 0.299 4.259 3.960 -0.000 0.000 0.232 243 G HA3 0.299 4.259 3.960 -0.000 0.000 0.232 243 G C 1.149 176.015 174.900 -0.056 0.000 1.116 243 G CA -0.118 44.847 45.100 -0.224 0.000 0.767 243 G HN 0.264 nan 8.290 nan 0.000 0.547 244 L N -1.596 119.522 121.223 -0.175 0.000 2.865 244 L HA 0.205 4.545 4.340 -0.000 0.000 0.167 244 L C 2.511 179.387 176.870 0.009 0.000 1.135 244 L CA 0.786 55.611 54.840 -0.025 0.000 0.895 244 L CB -0.305 41.678 42.059 -0.127 0.000 1.643 244 L HN 0.026 nan 8.230 nan 0.000 0.518 245 T N 1.106 115.592 114.554 -0.113 0.000 2.684 245 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 245 T C 1.641 176.540 174.700 0.331 0.000 1.036 245 T CA 2.088 64.263 62.100 0.125 0.000 1.148 245 T CB -0.344 68.481 68.868 -0.072 0.000 0.863 245 T HN 0.164 nan 8.240 nan 0.000 0.436 246 F N 1.619 121.588 119.950 0.032 0.000 2.074 246 F HA 0.087 4.613 4.527 -0.000 0.000 0.293 246 F C -0.251 175.593 175.800 0.074 0.000 1.116 246 F CA -0.014 58.016 58.000 0.050 0.000 1.212 246 F CB -2.463 36.559 39.000 0.035 0.000 0.998 246 F HN 0.159 nan 8.300 nan 0.000 0.471 247 P HA -0.152 nan 4.420 nan 0.000 0.215 247 P C 2.100 179.494 177.300 0.156 0.000 1.153 247 P CA 1.643 64.838 63.100 0.158 0.000 0.853 247 P CB -0.181 31.557 31.700 0.063 0.000 0.788 248 L N -0.499 120.819 121.223 0.159 0.000 2.131 248 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 248 L C 2.636 179.594 176.870 0.147 0.000 1.092 248 L CA 1.412 56.383 54.840 0.218 0.000 0.759 248 L CB -1.207 40.975 42.059 0.206 0.000 0.903 248 L HN -0.014 nan 8.230 nan 0.000 0.435 249 S N -0.202 115.602 115.700 0.174 0.000 2.419 249 S HA -0.113 4.357 4.470 -0.000 0.000 0.233 249 S C 1.729 176.356 174.600 0.044 0.000 1.016 249 S CA 1.516 59.796 58.200 0.132 0.000 0.974 249 S CB -0.055 63.302 63.200 0.262 0.000 0.786 249 S HN 0.468 nan 8.310 nan 0.000 0.492 250 V N -2.622 117.324 119.914 0.053 0.000 3.643 250 V HA 0.620 4.740 4.120 -0.000 0.000 0.280 250 V C 1.141 177.214 176.094 -0.035 0.000 1.351 250 V CA 0.384 62.687 62.300 0.005 0.000 1.073 250 V CB -0.462 31.372 31.823 0.018 0.000 0.863 250 V HN 0.434 nan 8.190 nan 0.000 0.436 251 G N 0.265 109.045 108.800 -0.032 0.000 2.132 251 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.228 251 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.228 251 G C 0.395 175.331 174.900 0.058 0.000 1.000 251 G CA 0.362 45.374 45.100 -0.147 0.000 0.693 251 G HN 1.475 nan 8.290 nan 0.000 0.515 252 A N -0.779 122.119 122.820 0.129 0.000 2.251 252 A HA 0.849 5.169 4.320 -0.000 0.000 0.278 252 A C 0.683 178.333 177.584 0.109 0.000 1.206 252 A CA 0.902 53.005 52.037 0.110 0.000 0.822 252 A CB 0.551 19.605 19.000 0.091 0.000 1.187 252 A HN 0.854 nan 8.150 nan 0.000 0.504 253 T N 0.301 114.877 114.554 0.035 0.000 2.824 253 T HA 0.628 4.978 4.350 -0.000 0.000 0.282 253 T C -0.383 174.281 174.700 -0.059 0.000 0.993 253 T CA 0.270 62.335 62.100 -0.057 0.000 0.967 253 T CB 1.447 70.298 68.868 -0.028 0.000 0.960 253 T HN 1.087 nan 8.240 nan 0.000 0.441 254 A N 3.413 126.125 122.820 -0.180 0.000 2.330 254 A HA 0.813 5.132 4.320 -0.000 0.000 0.327 254 A C -0.387 177.256 177.584 0.098 0.000 1.155 254 A CA -0.760 51.265 52.037 -0.020 0.000 0.803 254 A CB 0.408 19.381 19.000 -0.044 0.000 1.208 254 A HN 0.874 nan 8.150 nan 0.000 0.477 255 I N 2.898 123.581 120.570 0.188 0.000 2.331 255 I HA 0.290 4.460 4.170 -0.000 0.000 0.292 255 I C -0.540 175.757 176.117 0.300 0.000 0.998 255 I CA -0.078 61.317 61.300 0.159 0.000 1.267 255 I CB 1.037 39.055 38.000 0.030 0.000 1.386 255 I HN 0.472 nan 8.210 nan 0.000 0.476 256 L N 6.874 128.216 121.223 0.199 0.000 2.325 256 L HA 0.628 4.967 4.340 -0.000 0.000 0.278 256 L C -0.376 176.582 176.870 0.148 0.000 1.023 256 L CA -0.548 54.401 54.840 0.183 0.000 0.811 256 L CB 1.884 43.978 42.059 0.058 0.000 1.249 256 L HN 0.615 nan 8.230 nan 0.000 0.431 257 M N 1.786 121.514 119.600 0.212 0.000 2.197 257 M HA 0.439 4.919 4.480 -0.000 0.000 0.301 257 M C 0.248 176.615 176.300 0.112 0.000 0.987 257 M CA -0.391 55.008 55.300 0.166 0.000 0.921 257 M CB 2.046 34.827 32.600 0.300 0.000 1.569 257 M HN 0.771 nan 8.290 nan 0.000 0.431 258 A N 3.895 126.756 122.820 0.069 0.000 1.929 258 A HA -0.027 4.293 4.320 -0.000 0.000 0.216 258 A C 0.714 178.337 177.584 0.065 0.000 1.176 258 A CA 1.185 53.253 52.037 0.052 0.000 0.628 258 A CB -0.457 18.560 19.000 0.029 0.000 0.816 258 A HN 0.871 nan 8.150 nan 0.000 0.444 259 E N 0.042 120.283 120.200 0.069 0.000 2.369 259 E HA 0.281 4.631 4.350 -0.000 0.000 0.255 259 E C 0.111 176.754 176.600 0.073 0.000 1.172 259 E CA -0.972 55.465 56.400 0.063 0.000 0.932 259 E CB 0.395 30.127 29.700 0.053 0.000 1.040 259 E HN 0.337 nan 8.360 nan 0.000 0.454 260 R N 1.440 121.977 120.500 0.061 0.000 2.585 260 R HA 0.030 4.370 4.340 -0.000 0.000 0.275 260 R C -1.757 174.575 176.300 0.054 0.000 1.018 260 R CA -0.974 55.160 56.100 0.057 0.000 1.072 260 R CB 0.242 30.568 30.300 0.044 0.000 0.953 260 R HN 0.428 nan 8.270 nan 0.000 0.419 261 P HA 0.046 nan 4.420 nan 0.000 0.237 261 P C -0.591 176.712 177.300 0.005 0.000 1.788 261 P CA -0.230 62.898 63.100 0.047 0.000 1.061 261 P CB 0.258 31.980 31.700 0.036 0.000 1.967 262 T N -1.493 113.053 114.554 -0.013 0.000 2.816 262 T HA 0.448 4.798 4.350 -0.000 0.000 0.282 262 T C 1.606 176.208 174.700 -0.163 0.000 0.993 262 T CA -0.144 61.920 62.100 -0.060 0.000 0.994 262 T CB 0.989 69.831 68.868 -0.043 0.000 1.025 262 T HN 0.102 nan 8.240 nan 0.000 0.529 263 A N 0.742 123.408 122.820 -0.256 0.000 1.908 263 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 263 A C 2.068 179.096 177.584 -0.927 0.000 1.181 263 A CA 1.777 53.440 52.037 -0.623 0.000 0.627 263 A CB -1.086 17.625 19.000 -0.482 0.000 0.818 263 A HN 0.907 nan 8.150 nan 0.000 0.445 264 D N -0.035 120.120 120.400 -0.409 0.000 2.097 264 D HA -0.053 4.587 4.640 -0.000 0.000 0.195 264 D C 2.300 178.556 176.300 -0.073 0.000 0.989 264 D CA 1.543 55.452 54.000 -0.152 0.000 0.827 264 D CB -0.503 40.299 40.800 0.004 0.000 0.966 264 D HN 0.408 nan 8.370 nan 0.000 0.456 265 A N 0.897 123.680 122.820 -0.061 0.000 1.883 265 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 265 A C 2.411 180.027 177.584 0.053 0.000 1.186 265 A CA 1.101 53.146 52.037 0.014 0.000 0.624 265 A CB -0.803 18.220 19.000 0.040 0.000 0.822 265 A HN 0.209 nan 8.150 nan 0.000 0.444 266 I N -1.458 119.119 120.570 0.012 0.000 2.163 266 I HA -0.258 3.912 4.170 -0.000 0.000 0.243 266 I C 2.255 178.457 176.117 0.141 0.000 1.085 266 I CA 1.337 62.725 61.300 0.145 0.000 1.347 266 I CB -0.473 37.513 38.000 -0.023 0.000 1.044 266 I HN 0.279 nan 8.210 nan 0.000 0.408 267 F N 1.187 121.160 119.950 0.038 0.000 2.126 267 F HA -0.224 4.302 4.527 -0.000 0.000 0.299 267 F C 2.669 178.462 175.800 -0.012 0.000 1.096 267 F CA 0.951 58.955 58.000 0.007 0.000 1.255 267 F CB -1.591 37.430 39.000 0.034 0.000 0.997 267 F HN 0.039 nan 8.300 nan 0.000 0.479 268 A N 0.139 123.064 122.820 0.175 0.000 1.917 268 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 268 A C 2.315 179.886 177.584 -0.023 0.000 1.182 268 A CA 2.038 54.111 52.037 0.061 0.000 0.633 268 A CB -0.629 18.390 19.000 0.033 0.000 0.819 268 A HN 0.246 nan 8.150 nan 0.000 0.448 269 R N -0.477 119.963 120.500 -0.099 0.000 2.115 269 R HA 0.163 4.502 4.340 -0.000 0.000 0.226 269 R C 2.004 178.203 176.300 -0.168 0.000 1.100 269 R CA 0.846 56.770 56.100 -0.293 0.000 0.980 269 R CB -0.574 29.158 30.300 -0.946 0.000 0.875 269 R HN 0.557 nan 8.270 nan 0.000 0.445 270 L N -0.411 120.793 121.223 -0.031 0.000 2.083 270 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 270 L C 1.940 178.813 176.870 0.004 0.000 1.083 270 L CA 1.059 55.911 54.840 0.022 0.000 0.752 270 L CB -0.370 41.693 42.059 0.007 0.000 0.899 270 L HN 0.045 nan 8.230 nan 0.000 0.433 271 V N -0.596 119.319 119.914 0.002 0.000 2.379 271 V HA -0.200 3.920 4.120 -0.000 0.000 0.243 271 V C 2.385 178.445 176.094 -0.057 0.000 1.035 271 V CA 1.577 63.869 62.300 -0.014 0.000 1.035 271 V CB -0.277 31.545 31.823 -0.001 0.000 0.673 271 V HN 0.439 nan 8.190 nan 0.000 0.457 272 E N -0.376 119.761 120.200 -0.105 0.000 2.051 272 E HA -0.233 4.117 4.350 -0.000 0.000 0.192 272 E C 1.768 178.155 176.600 -0.355 0.000 0.991 272 E CA 1.378 57.632 56.400 -0.245 0.000 0.799 272 E CB -0.009 29.506 29.700 -0.309 0.000 0.748 272 E HN 0.668 nan 8.360 nan 0.000 0.449 273 H N -0.281 118.764 119.070 -0.042 0.000 2.542 273 H HA 0.257 4.813 4.556 -0.000 0.000 0.283 273 H C -0.099 175.226 175.328 -0.005 0.000 1.059 273 H CA 0.027 56.060 56.048 -0.026 0.000 1.162 273 H CB 0.350 30.089 29.762 -0.039 0.000 1.539 273 H HN 0.131 nan 8.280 nan 0.000 0.543 274 R N 0.789 121.326 120.500 0.061 0.000 3.158 274 R HA -0.126 4.214 4.340 -0.000 0.000 0.244 274 R C -2.504 173.846 176.300 0.082 0.000 0.900 274 R CA -0.063 56.070 56.100 0.055 0.000 0.618 274 R CB -1.522 28.800 30.300 0.037 0.000 1.061 274 R HN 0.348 nan 8.270 nan 0.000 0.471 275 P HA -0.047 nan 4.420 nan 0.000 0.268 275 P C 0.932 178.299 177.300 0.113 0.000 1.205 275 P CA 0.339 63.520 63.100 0.135 0.000 0.771 275 P CB 0.833 32.667 31.700 0.224 0.000 0.858 276 T N -1.147 113.464 114.554 0.094 0.000 3.067 276 T HA 0.107 4.457 4.350 -0.000 0.000 0.261 276 T C 0.712 175.452 174.700 0.068 0.000 1.110 276 T CA 0.322 62.465 62.100 0.072 0.000 1.113 276 T CB -0.085 68.815 68.868 0.052 0.000 0.917 276 T HN 0.214 nan 8.240 nan 0.000 0.499 277 V N 1.698 121.653 119.914 0.070 0.000 2.525 277 V HA 0.631 4.751 4.120 -0.000 0.000 0.299 277 V C -1.417 174.679 176.094 0.003 0.000 1.034 277 V CA -1.255 61.020 62.300 -0.042 0.000 0.863 277 V CB 1.768 33.485 31.823 -0.176 0.000 0.999 277 V HN 0.414 nan 8.190 nan 0.000 0.423 278 F N 5.865 125.714 119.950 -0.169 0.000 2.507 278 F HA 0.764 5.291 4.527 -0.000 0.000 0.325 278 F C -1.269 174.433 175.800 -0.163 0.000 1.116 278 F CA -1.172 56.779 58.000 -0.082 0.000 0.930 278 F CB 1.546 40.600 39.000 0.089 0.000 1.146 278 F HN 0.469 nan 8.300 nan 0.000 0.447 279 Y N 4.505 124.218 120.300 -0.978 0.000 2.335 279 Y HA 0.724 5.274 4.550 -0.000 0.000 0.338 279 Y C 0.499 175.645 175.900 -1.258 0.000 0.977 279 Y CA -0.862 56.740 58.100 -0.831 0.000 1.114 279 Y CB 1.678 39.762 38.460 -0.627 0.000 1.182 279 Y HN 0.821 nan 8.280 nan 0.000 0.463 280 G N 0.957 109.432 108.800 -0.541 0.000 3.086 280 G HA2 0.731 4.691 3.960 -0.000 0.000 0.282 280 G HA3 0.731 4.691 3.960 -0.000 0.000 0.282 280 G C -1.314 173.632 174.900 0.077 0.000 1.343 280 G CA -0.859 43.967 45.100 -0.457 0.000 0.895 280 G HN 0.752 nan 8.290 nan 0.000 0.557 281 V N -3.347 116.578 119.914 0.018 0.000 3.078 281 V HA 0.658 4.778 4.120 -0.000 0.000 0.311 281 V C -2.322 173.894 176.094 0.203 0.000 1.138 281 V CA -1.982 60.401 62.300 0.138 0.000 1.007 281 V CB 1.903 33.791 31.823 0.108 0.000 1.045 281 V HN 0.441 nan 8.190 nan 0.000 0.432 282 P HA -0.154 nan 4.420 nan 0.000 0.216 282 P C 1.745 179.155 177.300 0.182 0.000 1.153 282 P CA 2.434 65.674 63.100 0.233 0.000 0.858 282 P CB 0.110 31.889 31.700 0.131 0.000 0.789 283 T N -1.438 113.183 114.554 0.110 0.000 2.833 283 T HA -0.109 4.241 4.350 -0.000 0.000 0.269 283 T C 1.610 176.356 174.700 0.075 0.000 1.054 283 T CA 1.032 63.182 62.100 0.083 0.000 1.135 283 T CB -0.786 68.113 68.868 0.051 0.000 0.869 283 T HN -0.064 nan 8.240 nan 0.000 0.466 284 L N -0.839 120.408 121.223 0.040 0.000 2.027 284 L HA -0.024 4.316 4.340 -0.000 0.000 0.206 284 L C 2.425 179.305 176.870 0.017 0.000 1.074 284 L CA 1.435 56.265 54.840 -0.018 0.000 0.745 284 L CB -0.718 41.287 42.059 -0.089 0.000 0.898 284 L HN 0.267 nan 8.230 nan 0.000 0.433 285 Y N 0.330 120.714 120.300 0.140 0.000 2.165 285 Y HA -0.254 4.296 4.550 -0.000 0.000 0.286 285 Y C 2.709 178.711 175.900 0.170 0.000 1.155 285 Y CA 1.153 59.348 58.100 0.158 0.000 1.164 285 Y CB -0.949 37.541 38.460 0.049 0.000 0.978 285 Y HN 0.127 nan 8.280 nan 0.000 0.513 286 A N 0.507 123.491 122.820 0.274 0.000 1.873 286 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 286 A C 2.145 179.831 177.584 0.169 0.000 1.193 286 A CA 2.197 54.347 52.037 0.188 0.000 0.629 286 A CB -0.792 18.288 19.000 0.134 0.000 0.826 286 A HN 0.524 nan 8.150 nan 0.000 0.447 287 N N -0.963 117.820 118.700 0.138 0.000 2.354 287 N HA -0.023 4.717 4.740 -0.000 0.000 0.179 287 N C 1.797 177.392 175.510 0.142 0.000 1.021 287 N CA 1.267 54.383 53.050 0.109 0.000 0.887 287 N CB -0.257 38.265 38.487 0.058 0.000 0.974 287 N HN 0.540 nan 8.380 nan 0.000 0.437 288 M N 0.678 120.392 119.600 0.190 0.000 2.086 288 M HA -0.097 4.383 4.480 -0.000 0.000 0.261 288 M C 2.074 178.638 176.300 0.441 0.000 1.067 288 M CA 1.354 56.871 55.300 0.361 0.000 1.116 288 M CB -0.267 32.606 32.600 0.456 0.000 1.348 288 M HN 0.052 nan 8.290 nan 0.000 0.407 289 L N -0.143 121.283 121.223 0.339 0.000 2.191 289 L HA -0.125 4.215 4.340 -0.000 0.000 0.212 289 L C 2.105 179.049 176.870 0.123 0.000 1.103 289 L CA 0.746 55.720 54.840 0.223 0.000 0.769 289 L CB -0.538 41.653 42.059 0.221 0.000 0.908 289 L HN 0.312 nan 8.230 nan 0.000 0.438 290 V N -5.136 114.863 119.914 0.142 0.000 3.649 290 V HA 0.114 4.234 4.120 -0.000 0.000 0.275 290 V C 1.121 177.282 176.094 0.111 0.000 1.281 290 V CA -0.239 62.123 62.300 0.103 0.000 1.143 290 V CB 0.014 31.897 31.823 0.099 0.000 0.892 290 V HN 0.225 nan 8.190 nan 0.000 0.441 291 S N 2.457 118.261 115.700 0.173 0.000 2.531 291 S HA 0.323 4.793 4.470 -0.000 0.000 0.279 291 S C -0.598 174.078 174.600 0.127 0.000 1.305 291 S CA -0.690 57.633 58.200 0.204 0.000 1.058 291 S CB 1.098 64.552 63.200 0.423 0.000 0.899 291 S HN 0.455 nan 8.310 nan 0.000 0.493 292 P HA -0.040 nan 4.420 nan 0.000 0.225 292 P C 0.017 177.338 177.300 0.034 0.000 1.148 292 P CA 1.028 64.155 63.100 0.045 0.000 0.779 292 P CB -0.271 31.454 31.700 0.043 0.000 0.780 293 N N -0.626 118.135 118.700 0.101 0.000 2.268 293 N HA 0.078 4.818 4.740 -0.000 0.000 0.204 293 N C 0.217 175.587 175.510 -0.234 0.000 1.124 293 N CA -0.505 52.584 53.050 0.065 0.000 0.838 293 N CB -0.213 38.419 38.487 0.242 0.000 0.994 293 N HN 0.033 nan 8.380 nan 0.000 0.489 294 L N 2.437 123.477 121.223 -0.305 0.000 2.584 294 L HA 0.131 4.471 4.340 -0.000 0.000 0.272 294 L C -2.270 174.304 176.870 -0.492 0.000 1.195 294 L CA -1.377 53.065 54.840 -0.663 0.000 0.920 294 L CB 0.010 41.855 42.059 -0.356 0.000 1.173 294 L HN -0.034 nan 8.230 nan 0.000 0.489 295 P HA 0.214 nan 4.420 nan 0.000 0.271 295 P C -0.830 176.516 177.300 0.078 0.000 1.216 295 P CA -0.273 62.745 63.100 -0.137 0.000 0.776 295 P CB 0.627 32.288 31.700 -0.064 0.000 0.881 296 A N 3.049 125.883 122.820 0.025 0.000 2.466 296 A HA 0.028 4.348 4.320 -0.000 0.000 0.238 296 A C 1.796 179.370 177.584 -0.017 0.000 1.074 296 A CA -0.104 51.919 52.037 -0.023 0.000 0.774 296 A CB -0.149 18.823 19.000 -0.047 0.000 1.015 296 A HN 0.662 nan 8.150 nan 0.000 0.498 297 R N 1.241 121.614 120.500 -0.212 0.000 2.117 297 R HA -0.213 4.127 4.340 -0.000 0.000 0.243 297 R C 2.023 178.330 176.300 0.011 0.000 1.143 297 R CA 1.824 57.882 56.100 -0.071 0.000 0.968 297 R CB -0.436 29.730 30.300 -0.224 0.000 0.863 297 R HN 0.848 nan 8.270 nan 0.000 0.444 298 A N 0.625 123.429 122.820 -0.028 0.000 2.070 298 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 298 A C 1.240 178.827 177.584 0.006 0.000 1.159 298 A CA 1.618 53.648 52.037 -0.012 0.000 0.656 298 A CB -0.133 18.853 19.000 -0.025 0.000 0.800 298 A HN 0.365 nan 8.150 nan 0.000 0.453 299 D N -0.724 119.687 120.400 0.019 0.000 2.339 299 D HA 0.163 4.803 4.640 -0.000 0.000 0.217 299 D C 0.595 176.911 176.300 0.026 0.000 1.050 299 D CA 0.887 54.897 54.000 0.017 0.000 0.856 299 D CB 0.507 41.313 40.800 0.010 0.000 0.922 299 D HN 0.421 nan 8.370 nan 0.000 0.518 300 V N -3.480 116.461 119.914 0.045 0.000 3.158 300 V HA 0.864 4.984 4.120 -0.000 0.000 0.311 300 V C -0.175 175.936 176.094 0.029 0.000 1.181 300 V CA -0.929 61.384 62.300 0.023 0.000 1.054 300 V CB 1.927 33.732 31.823 -0.030 0.000 1.085 300 V HN -0.200 nan 8.190 nan 0.000 0.446 301 A N 1.416 124.250 122.820 0.023 0.000 2.635 301 A HA 0.520 4.840 4.320 -0.000 0.000 0.279 301 A C 0.577 178.188 177.584 0.045 0.000 1.122 301 A CA 0.003 52.062 52.037 0.037 0.000 0.965 301 A CB -0.497 18.526 19.000 0.039 0.000 1.221 301 A HN 1.318 nan 8.150 nan 0.000 0.566 302 I N -0.738 119.853 120.570 0.034 0.000 2.742 302 I HA 0.128 4.298 4.170 -0.000 0.000 0.287 302 I C 1.135 177.305 176.117 0.089 0.000 1.186 302 I CA 0.088 61.429 61.300 0.068 0.000 1.417 302 I CB 0.456 38.498 38.000 0.069 0.000 1.377 302 I HN 0.445 nan 8.210 nan 0.000 0.556 303 R N 4.879 125.430 120.500 0.085 0.000 2.279 303 R HA 0.479 4.819 4.340 -0.000 0.000 0.195 303 R C -0.096 176.256 176.300 0.087 0.000 0.905 303 R CA -0.137 56.009 56.100 0.078 0.000 1.044 303 R CB 0.479 30.809 30.300 0.050 0.000 1.056 303 R HN 0.629 nan 8.270 nan 0.000 0.535 304 I N 0.260 120.884 120.570 0.090 0.000 2.787 304 I HA 0.349 4.519 4.170 -0.000 0.000 0.294 304 I C -1.793 174.376 176.117 0.086 0.000 1.365 304 I CA -0.815 60.533 61.300 0.079 0.000 1.029 304 I CB 2.246 40.257 38.000 0.018 0.000 1.313 304 I HN 0.215 nan 8.210 nan 0.000 0.431 305 C N 3.372 122.742 119.300 0.115 0.000 2.889 305 C HA 0.959 5.419 4.460 -0.000 0.000 0.307 305 C C -0.170 174.875 174.990 0.092 0.000 1.251 305 C CA -0.392 58.700 59.018 0.124 0.000 1.593 305 C CB 1.971 29.866 27.740 0.258 0.000 2.104 305 C HN 0.869 nan 8.230 nan 0.000 0.476 306 T N -0.876 113.746 114.554 0.113 0.000 2.916 306 T HA 0.800 5.150 4.350 -0.000 0.000 0.292 306 T C -0.762 174.104 174.700 0.276 0.000 1.055 306 T CA -0.476 61.755 62.100 0.218 0.000 1.009 306 T CB 1.795 70.912 68.868 0.414 0.000 1.118 306 T HN 0.725 nan 8.240 nan 0.000 0.497 307 S N -0.188 115.635 115.700 0.205 0.000 2.541 307 S HA 0.848 5.318 4.470 -0.000 0.000 0.280 307 S C -1.005 173.558 174.600 -0.063 0.000 1.112 307 S CA -0.125 58.181 58.200 0.177 0.000 0.925 307 S CB 1.008 64.285 63.200 0.128 0.000 1.067 307 S HN 1.454 nan 8.310 nan 0.000 0.479 308 A N 1.935 124.591 122.820 -0.273 0.000 2.568 308 A HA 0.902 5.222 4.320 -0.000 0.000 0.291 308 A C 0.691 178.062 177.584 -0.356 0.000 1.159 308 A CA 0.071 51.798 52.037 -0.516 0.000 0.679 308 A CB 0.276 18.633 19.000 -1.072 0.000 1.285 308 A HN 2.111 nan 8.150 nan 0.000 0.428 309 G N -1.001 107.620 108.800 -0.299 0.000 2.490 309 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.214 309 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.214 309 G C 0.030 174.874 174.900 -0.094 0.000 1.151 309 G CA 0.612 45.649 45.100 -0.105 0.000 0.684 309 G HN 0.982 nan 8.290 nan 0.000 0.518 310 E N 0.169 120.321 120.200 -0.080 0.000 2.416 310 E HA 0.683 5.033 4.350 -0.000 0.000 0.273 310 E C 0.096 176.671 176.600 -0.042 0.000 0.935 310 E CA -0.086 56.300 56.400 -0.023 0.000 0.784 310 E CB 1.821 31.549 29.700 0.046 0.000 1.301 310 E HN 0.950 nan 8.360 nan 0.000 0.454 311 A N 1.138 123.977 122.820 0.033 0.000 2.371 311 A HA 0.350 4.670 4.320 -0.000 0.000 0.257 311 A C -0.342 177.281 177.584 0.065 0.000 1.089 311 A CA -0.317 51.750 52.037 0.050 0.000 0.794 311 A CB 0.156 19.257 19.000 0.168 0.000 1.029 311 A HN 0.397 nan 8.150 nan 0.000 0.488 312 L N 3.825 125.083 121.223 0.059 0.000 2.260 312 L HA 0.449 4.789 4.340 -0.000 0.000 0.289 312 L C -2.241 174.659 176.870 0.051 0.000 1.057 312 L CA -1.666 53.203 54.840 0.048 0.000 0.811 312 L CB 0.786 42.860 42.059 0.024 0.000 1.184 312 L HN 0.374 nan 8.230 nan 0.000 0.429 313 P HA 0.079 nan 4.420 nan 0.000 0.264 313 P C 0.259 177.549 177.300 -0.016 0.000 1.193 313 P CA -0.012 63.108 63.100 0.034 0.000 0.763 313 P CB 0.559 32.282 31.700 0.038 0.000 0.810 314 R N 3.008 123.520 120.500 0.020 0.000 2.113 314 R HA -0.278 4.061 4.340 -0.000 0.000 0.244 314 R C 1.214 177.441 176.300 -0.122 0.000 1.142 314 R CA 2.046 58.143 56.100 -0.005 0.000 0.953 314 R CB -0.180 30.170 30.300 0.084 0.000 0.860 314 R HN 0.420 nan 8.270 nan 0.000 0.438 315 E N 0.276 120.446 120.200 -0.049 0.000 2.110 315 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 315 E C 1.887 178.442 176.600 -0.075 0.000 0.988 315 E CA 1.395 57.770 56.400 -0.041 0.000 0.804 315 E CB -0.112 29.592 29.700 0.007 0.000 0.745 315 E HN 0.464 nan 8.360 nan 0.000 0.458 316 I N 0.296 120.815 120.570 -0.084 0.000 2.252 316 I HA -0.181 3.989 4.170 -0.000 0.000 0.245 316 I C 2.360 178.360 176.117 -0.195 0.000 1.102 316 I CA 1.229 62.492 61.300 -0.060 0.000 1.385 316 I CB -0.663 37.330 38.000 -0.011 0.000 1.064 316 I HN 0.203 nan 8.210 nan 0.000 0.414 317 G N 0.589 109.075 108.800 -0.523 0.000 2.459 317 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 317 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 317 G C 1.497 175.929 174.900 -0.780 0.000 1.183 317 G CA 0.734 45.134 45.100 -1.166 0.000 0.776 317 G HN 0.397 nan 8.290 nan 0.000 0.552 318 E N -0.074 119.795 120.200 -0.552 0.000 2.038 318 E HA -0.112 4.238 4.350 -0.000 0.000 0.195 318 E C 2.838 179.451 176.600 0.022 0.000 1.000 318 E CA 0.716 57.057 56.400 -0.098 0.000 0.803 318 E CB -0.098 29.591 29.700 -0.017 0.000 0.750 318 E HN 0.151 nan 8.360 nan 0.000 0.448 319 R N 0.013 120.524 120.500 0.019 0.000 2.081 319 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 319 R C 2.256 178.640 176.300 0.140 0.000 1.131 319 R CA 0.944 57.086 56.100 0.070 0.000 0.960 319 R CB -0.645 29.691 30.300 0.060 0.000 0.856 319 R HN 0.228 nan 8.270 nan 0.000 0.436 320 F N 1.461 121.445 119.950 0.057 0.000 2.102 320 F HA -0.210 4.317 4.527 -0.000 0.000 0.298 320 F C 2.251 178.203 175.800 0.254 0.000 1.105 320 F CA 1.762 59.885 58.000 0.204 0.000 1.239 320 F CB -0.209 38.893 39.000 0.170 0.000 0.991 320 F HN -0.056 nan 8.300 nan 0.000 0.474 321 T N 0.185 114.966 114.554 0.378 0.000 2.821 321 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 321 T C 2.179 176.971 174.700 0.154 0.000 1.046 321 T CA 1.083 63.368 62.100 0.309 0.000 1.139 321 T CB -0.665 68.420 68.868 0.362 0.000 0.871 321 T HN 0.349 nan 8.240 nan 0.000 0.454 322 A N 0.943 123.829 122.820 0.110 0.000 1.902 322 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 322 A C 2.034 179.600 177.584 -0.029 0.000 1.181 322 A CA 2.182 54.245 52.037 0.044 0.000 0.623 322 A CB -0.825 18.201 19.000 0.043 0.000 0.818 322 A HN 0.639 nan 8.150 nan 0.000 0.443 323 H N -2.444 116.514 119.070 -0.188 0.000 2.343 323 H HA 0.053 4.609 4.556 -0.000 0.000 0.303 323 H C 1.186 176.208 175.328 -0.511 0.000 1.068 323 H CA 1.849 57.641 56.048 -0.427 0.000 1.359 323 H CB -0.079 29.279 29.762 -0.672 0.000 1.402 323 H HN 0.426 nan 8.280 nan 0.000 0.515 324 F N -0.970 118.836 119.950 -0.239 0.000 2.731 324 F HA 0.282 4.809 4.527 -0.000 0.000 0.298 324 F C 1.974 177.703 175.800 -0.120 0.000 1.106 324 F CA 0.635 58.477 58.000 -0.264 0.000 1.329 324 F CB 0.423 39.186 39.000 -0.395 0.000 1.100 324 F HN 0.368 nan 8.300 nan 0.000 0.592 325 G N 0.702 109.561 108.800 0.097 0.000 2.153 325 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.252 325 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.252 325 G C 0.246 175.235 174.900 0.147 0.000 0.994 325 G CA 0.275 45.433 45.100 0.097 0.000 0.698 325 G HN 0.588 nan 8.290 nan 0.000 0.521 326 C N -1.446 117.991 119.300 0.228 0.000 2.667 326 C HA 0.890 5.350 4.460 -0.000 0.000 0.323 326 C C 0.161 175.349 174.990 0.331 0.000 1.214 326 C CA -1.635 57.530 59.018 0.244 0.000 1.721 326 C CB 1.807 29.690 27.740 0.239 0.000 2.275 326 C HN 0.452 nan 8.230 nan 0.000 0.491 327 E N 0.624 120.973 120.200 0.248 0.000 2.319 327 E HA 0.543 4.893 4.350 -0.000 0.000 0.268 327 E C -0.748 175.996 176.600 0.240 0.000 1.050 327 E CA -0.262 56.288 56.400 0.250 0.000 0.878 327 E CB 1.175 30.938 29.700 0.105 0.000 1.066 327 E HN 0.610 nan 8.360 nan 0.000 0.406 328 I N 3.300 124.023 120.570 0.255 0.000 2.321 328 I HA 0.167 4.337 4.170 -0.000 0.000 0.291 328 I C -0.448 175.741 176.117 0.119 0.000 0.998 328 I CA -0.465 60.893 61.300 0.096 0.000 1.227 328 I CB 0.700 38.587 38.000 -0.188 0.000 1.368 328 I HN 0.262 nan 8.210 nan 0.000 0.466 329 L N 5.634 126.908 121.223 0.085 0.000 2.268 329 L HA 0.254 4.594 4.340 -0.000 0.000 0.289 329 L C -0.031 176.895 176.870 0.094 0.000 1.064 329 L CA -0.398 54.489 54.840 0.077 0.000 0.824 329 L CB 0.345 42.461 42.059 0.096 0.000 1.202 329 L HN 0.547 nan 8.230 nan 0.000 0.433 330 D N 2.930 123.374 120.400 0.074 0.000 2.348 330 D HA 0.439 5.079 4.640 -0.000 0.000 0.253 330 D C 0.035 176.339 176.300 0.006 0.000 1.161 330 D CA 0.246 54.273 54.000 0.045 0.000 0.876 330 D CB 1.489 42.334 40.800 0.076 0.000 1.160 330 D HN 0.600 nan 8.370 nan 0.000 0.459 331 G N 2.718 111.472 108.800 -0.076 0.000 2.659 331 G HA2 0.539 4.499 3.960 -0.000 0.000 0.296 331 G HA3 0.539 4.499 3.960 -0.000 0.000 0.296 331 G C -1.295 173.395 174.900 -0.350 0.000 1.369 331 G CA -0.720 44.276 45.100 -0.174 0.000 0.937 331 G HN 0.559 nan 8.290 nan 0.000 0.485 332 I N 1.048 121.320 120.570 -0.497 0.000 2.404 332 I HA 0.798 4.968 4.170 -0.000 0.000 0.293 332 I C 0.406 175.910 176.117 -1.021 0.000 0.992 332 I CA -0.508 60.403 61.300 -0.649 0.000 1.149 332 I CB 1.718 39.402 38.000 -0.527 0.000 1.315 332 I HN 0.683 nan 8.210 nan 0.000 0.446 333 G N 4.020 112.377 108.800 -0.739 0.000 3.015 333 G HA2 0.754 4.714 3.960 -0.000 0.000 0.281 333 G HA3 0.754 4.714 3.960 -0.000 0.000 0.281 333 G C -1.513 173.321 174.900 -0.110 0.000 1.386 333 G CA -0.337 44.432 45.100 -0.552 0.000 0.959 333 G HN 0.756 nan 8.290 nan 0.000 0.522 334 S N -2.474 113.304 115.700 0.130 0.000 2.596 334 S HA 0.510 4.979 4.470 -0.000 0.000 0.270 334 S C 0.748 175.479 174.600 0.218 0.000 1.155 334 S CA 0.272 58.591 58.200 0.198 0.000 0.827 334 S CB 1.309 64.671 63.200 0.271 0.000 1.130 334 S HN 0.471 nan 8.310 nan 0.000 0.467 335 T N 1.648 116.361 114.554 0.265 0.000 2.720 335 T HA -0.079 4.271 4.350 -0.000 0.000 0.268 335 T C 1.337 176.291 174.700 0.423 0.000 1.037 335 T CA 2.259 64.561 62.100 0.338 0.000 1.144 335 T CB -0.592 68.489 68.868 0.354 0.000 0.864 335 T HN 0.760 nan 8.240 nan 0.000 0.444 336 E N 0.755 121.160 120.200 0.343 0.000 2.110 336 E HA -0.007 4.343 4.350 -0.000 0.000 0.193 336 E C 1.777 178.587 176.600 0.349 0.000 0.988 336 E CA 0.924 57.518 56.400 0.324 0.000 0.804 336 E CB -0.132 29.670 29.700 0.170 0.000 0.745 336 E HN 0.320 nan 8.360 nan 0.000 0.458 337 M N -0.544 119.237 119.600 0.301 0.000 2.428 337 M HA 0.233 4.713 4.480 -0.000 0.000 0.239 337 M C 0.741 177.241 176.300 0.333 0.000 1.121 337 M CA -0.024 55.454 55.300 0.296 0.000 1.019 337 M CB 0.147 32.870 32.600 0.204 0.000 1.485 337 M HN 0.154 nan 8.290 nan 0.000 0.484 338 L N -0.666 120.728 121.223 0.285 0.000 5.308 338 L HA -0.333 4.007 4.340 -0.000 0.000 0.421 338 L C 0.118 177.086 176.870 0.163 0.000 0.927 338 L CA 2.081 56.980 54.840 0.098 0.000 1.529 338 L CB -0.839 41.163 42.059 -0.094 0.000 1.599 338 L HN 0.607 nan 8.230 nan 0.000 0.629 339 H N -2.126 116.992 119.070 0.080 0.000 3.012 339 H HA 0.462 5.018 4.556 -0.000 0.000 0.258 339 H C -0.657 174.588 175.328 -0.138 0.000 1.530 339 H CA -0.166 55.867 56.048 -0.026 0.000 1.187 339 H CB 0.417 30.221 29.762 0.070 0.000 1.907 339 H HN -0.049 nan 8.280 nan 0.000 0.695 340 I N 3.375 123.808 120.570 -0.229 0.000 2.471 340 I HA -0.050 4.120 4.170 -0.000 0.000 0.286 340 I C 0.802 176.628 176.117 -0.486 0.000 1.079 340 I CA 0.344 61.298 61.300 -0.577 0.000 1.398 340 I CB 0.182 37.654 38.000 -0.880 0.000 1.403 340 I HN 0.386 nan 8.210 nan 0.000 0.530 341 F N 5.806 125.447 119.950 -0.516 0.000 2.767 341 F HA 0.496 5.023 4.527 -0.000 0.000 0.323 341 F C -0.414 175.160 175.800 -0.376 0.000 1.091 341 F CA -0.603 56.920 58.000 -0.796 0.000 1.192 341 F CB 0.181 38.622 39.000 -0.932 0.000 1.056 341 F HN 0.242 nan 8.300 nan 0.000 0.571 342 L N 0.942 121.909 121.223 -0.427 0.000 2.516 342 L HA 0.782 5.122 4.340 -0.000 0.000 0.267 342 L C -1.011 175.742 176.870 -0.195 0.000 0.957 342 L CA -0.725 53.970 54.840 -0.242 0.000 0.860 342 L CB 1.895 43.758 42.059 -0.326 0.000 1.265 342 L HN 0.083 nan 8.230 nan 0.000 0.403 343 S N 3.915 119.597 115.700 -0.028 0.000 2.537 343 S HA 0.569 5.039 4.470 -0.000 0.000 0.271 343 S C -1.225 173.413 174.600 0.064 0.000 1.148 343 S CA -0.870 57.351 58.200 0.034 0.000 0.868 343 S CB 1.167 64.468 63.200 0.169 0.000 1.115 343 S HN 0.783 nan 8.310 nan 0.000 0.461 344 N N 2.093 120.826 118.700 0.054 0.000 2.416 344 N HA 0.193 4.933 4.740 -0.000 0.000 0.246 344 N C -0.322 175.203 175.510 0.026 0.000 1.260 344 N CA 0.325 53.392 53.050 0.030 0.000 0.897 344 N CB 0.326 38.805 38.487 -0.012 0.000 1.110 344 N HN 0.495 nan 8.380 nan 0.000 0.439 345 R N 0.420 120.921 120.500 0.002 0.000 2.637 345 R HA 0.459 4.799 4.340 -0.000 0.000 0.291 345 R C -0.474 175.809 176.300 -0.028 0.000 0.963 345 R CA -0.811 55.285 56.100 -0.008 0.000 0.901 345 R CB 1.533 31.835 30.300 0.003 0.000 1.160 345 R HN 0.567 nan 8.270 nan 0.000 0.457 346 A N 0.865 123.667 122.820 -0.029 0.000 2.511 346 A HA 0.397 4.717 4.320 -0.000 0.000 0.242 346 A C 1.226 178.796 177.584 -0.024 0.000 1.069 346 A CA 0.925 52.946 52.037 -0.027 0.000 0.763 346 A CB -0.305 18.682 19.000 -0.021 0.000 1.001 346 A HN 0.970 nan 8.150 nan 0.000 0.498 347 G N 0.673 109.458 108.800 -0.025 0.000 2.184 347 G HA2 0.089 4.049 3.960 -0.000 0.000 0.264 347 G HA3 0.089 4.049 3.960 -0.000 0.000 0.264 347 G C 0.625 175.510 174.900 -0.025 0.000 0.975 347 G CA 0.879 45.968 45.100 -0.018 0.000 0.642 347 G HN 2.301 nan 8.290 nan 0.000 0.536 348 A N -0.700 122.095 122.820 -0.040 0.000 2.569 348 A HA 0.673 4.993 4.320 -0.000 0.000 0.284 348 A C 0.541 178.085 177.584 -0.066 0.000 0.948 348 A CA 0.577 52.592 52.037 -0.036 0.000 1.007 348 A CB 0.670 19.661 19.000 -0.014 0.000 1.232 348 A HN 1.056 nan 8.150 nan 0.000 0.530 349 V N 2.133 121.969 119.914 -0.130 0.000 2.540 349 V HA 0.048 4.168 4.120 -0.000 0.000 0.297 349 V C 0.116 176.085 176.094 -0.208 0.000 1.024 349 V CA 0.603 62.757 62.300 -0.243 0.000 1.105 349 V CB 0.537 32.064 31.823 -0.494 0.000 0.938 349 V HN 0.449 nan 8.190 nan 0.000 0.482 350 E N 4.878 124.998 120.200 -0.133 0.000 2.267 350 E HA 0.229 4.579 4.350 -0.000 0.000 0.241 350 E C -1.046 175.563 176.600 0.014 0.000 0.950 350 E CA -0.548 55.827 56.400 -0.040 0.000 0.776 350 E CB 0.828 30.538 29.700 0.017 0.000 1.207 350 E HN 0.563 nan 8.360 nan 0.000 0.436 351 Y N 0.677 121.006 120.300 0.049 0.000 2.526 351 Y HA 0.187 4.737 4.550 -0.000 0.000 0.330 351 Y C 1.719 177.651 175.900 0.052 0.000 1.156 351 Y CA 1.501 59.628 58.100 0.046 0.000 1.419 351 Y CB 0.914 39.400 38.460 0.043 0.000 1.250 351 Y HN 0.747 nan 8.280 nan 0.000 0.540 352 G N 1.479 110.423 108.800 0.240 0.000 2.253 352 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.209 352 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.209 352 G C 0.235 175.223 174.900 0.146 0.000 0.997 352 G CA 0.020 45.215 45.100 0.159 0.000 0.640 352 G HN 0.976 nan 8.290 nan 0.000 0.496 353 T N -2.883 111.762 114.554 0.151 0.000 2.910 353 T HA 0.653 5.003 4.350 -0.000 0.000 0.287 353 T C 0.580 175.380 174.700 0.167 0.000 1.050 353 T CA 0.755 62.955 62.100 0.166 0.000 1.011 353 T CB 2.108 71.064 68.868 0.147 0.000 1.195 353 T HN 0.767 nan 8.240 nan 0.000 0.540 354 T N -0.329 114.356 114.554 0.219 0.000 3.214 354 T HA 0.518 4.868 4.350 -0.000 0.000 0.264 354 T C 1.166 175.947 174.700 0.134 0.000 1.012 354 T CA 0.988 63.183 62.100 0.159 0.000 0.901 354 T CB -1.536 67.430 68.868 0.164 0.000 1.070 354 T HN 1.639 nan 8.240 nan 0.000 0.561 355 G N 2.354 111.247 108.800 0.155 0.000 2.527 355 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.268 355 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.268 355 G C -0.269 174.756 174.900 0.208 0.000 1.175 355 G CA 0.134 45.315 45.100 0.134 0.000 0.962 355 G HN 0.945 nan 8.290 nan 0.000 0.560 356 R N -0.190 120.407 120.500 0.162 0.000 2.892 356 R HA 0.677 5.017 4.340 -0.000 0.000 0.265 356 R C -3.126 173.244 176.300 0.117 0.000 1.025 356 R CA -1.929 54.296 56.100 0.208 0.000 0.982 356 R CB 1.564 31.962 30.300 0.164 0.000 1.185 356 R HN 0.362 nan 8.270 nan 0.000 0.484 357 P HA -0.070 nan 4.420 nan 0.000 0.264 357 P C -0.293 177.086 177.300 0.131 0.000 1.183 357 P CA -0.113 63.033 63.100 0.077 0.000 0.763 357 P CB 0.410 32.170 31.700 0.100 0.000 0.807 358 V N 6.897 126.908 119.914 0.162 0.000 2.585 358 V HA 0.059 4.179 4.120 -0.000 0.000 0.296 358 V C -1.806 174.460 176.094 0.288 0.000 1.035 358 V CA -1.112 61.330 62.300 0.236 0.000 1.084 358 V CB 0.049 32.046 31.823 0.290 0.000 0.953 358 V HN 0.559 nan 8.190 nan 0.000 0.483 359 P HA 0.272 nan 4.420 nan 0.000 0.267 359 P C 0.885 178.243 177.300 0.097 0.000 1.205 359 P CA 1.210 64.386 63.100 0.127 0.000 0.765 359 P CB 0.665 32.413 31.700 0.081 0.000 0.828 360 G N 1.356 110.150 108.800 -0.009 0.000 2.238 360 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.217 360 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.217 360 G C -0.476 174.193 174.900 -0.386 0.000 0.996 360 G CA -0.479 44.495 45.100 -0.210 0.000 0.632 360 G HN 0.445 nan 8.290 nan 0.000 0.503 361 Y N 1.358 121.639 120.300 -0.033 0.000 2.409 361 Y HA 0.678 5.228 4.550 -0.000 0.000 0.339 361 Y C 0.451 176.324 175.900 -0.044 0.000 1.033 361 Y CA -0.773 57.296 58.100 -0.052 0.000 1.094 361 Y CB 1.494 39.977 38.460 0.038 0.000 1.210 361 Y HN 0.151 nan 8.280 nan 0.000 0.456 362 E N 3.972 124.203 120.200 0.052 0.000 2.238 362 E HA 0.630 4.980 4.350 -0.000 0.000 0.267 362 E C -1.191 175.525 176.600 0.193 0.000 0.887 362 E CA -0.968 55.494 56.400 0.104 0.000 0.769 362 E CB 2.733 32.482 29.700 0.082 0.000 1.187 362 E HN 0.601 nan 8.360 nan 0.000 0.416 363 I N -1.422 119.287 120.570 0.230 0.000 2.647 363 I HA 0.601 4.771 4.170 -0.000 0.000 0.295 363 I C -0.887 175.360 176.117 0.216 0.000 1.078 363 I CA -0.809 60.616 61.300 0.207 0.000 1.048 363 I CB 2.167 40.112 38.000 -0.091 0.000 1.239 363 I HN 0.225 nan 8.210 nan 0.000 0.421 364 E N 5.939 126.245 120.200 0.177 0.000 2.293 364 E HA 0.558 4.908 4.350 -0.000 0.000 0.270 364 E C -1.304 175.368 176.600 0.120 0.000 0.879 364 E CA -0.654 55.773 56.400 0.044 0.000 0.756 364 E CB 3.068 32.602 29.700 -0.276 0.000 1.208 364 E HN 0.640 nan 8.360 nan 0.000 0.428 365 L N 2.828 124.135 121.223 0.139 0.000 2.275 365 L HA 0.527 4.867 4.340 -0.000 0.000 0.288 365 L C 0.299 177.225 176.870 0.094 0.000 1.046 365 L CA -0.791 54.152 54.840 0.172 0.000 0.805 365 L CB 0.653 42.838 42.059 0.210 0.000 1.193 365 L HN 0.080 nan 8.230 nan 0.000 0.426 366 R N 1.369 121.946 120.500 0.128 0.000 2.750 366 R HA 0.362 4.702 4.340 -0.000 0.000 0.281 366 R C -0.927 175.405 176.300 0.054 0.000 0.972 366 R CA -0.959 55.157 56.100 0.027 0.000 0.912 366 R CB 2.136 32.358 30.300 -0.131 0.000 1.187 366 R HN 0.697 nan 8.270 nan 0.000 0.464 367 D N 0.010 120.409 120.400 -0.001 0.000 2.433 367 D HA 0.029 4.669 4.640 -0.000 0.000 0.255 367 D C 0.615 176.882 176.300 -0.056 0.000 1.226 367 D CA -0.317 53.675 54.000 -0.014 0.000 1.015 367 D CB 0.633 41.436 40.800 0.005 0.000 1.091 367 D HN 0.425 nan 8.370 nan 0.000 0.527 368 E N -0.487 119.676 120.200 -0.062 0.000 2.171 368 E HA -0.216 4.134 4.350 -0.000 0.000 0.197 368 E C 1.565 178.095 176.600 -0.118 0.000 0.997 368 E CA 1.540 57.898 56.400 -0.070 0.000 0.810 368 E CB -0.277 29.386 29.700 -0.061 0.000 0.738 368 E HN 0.583 nan 8.360 nan 0.000 0.467 369 A N 0.097 122.789 122.820 -0.213 0.000 2.275 369 A HA 0.335 4.655 4.320 -0.000 0.000 0.212 369 A C 1.683 178.942 177.584 -0.541 0.000 1.201 369 A CA 0.726 52.538 52.037 -0.375 0.000 0.843 369 A CB 0.105 18.823 19.000 -0.470 0.000 0.873 369 A HN 0.317 nan 8.150 nan 0.000 0.492 370 G N -0.905 107.657 108.800 -0.396 0.000 2.141 370 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.242 370 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.242 370 G C -0.058 174.677 174.900 -0.274 0.000 0.982 370 G CA 0.346 45.249 45.100 -0.329 0.000 0.662 370 G HN 0.809 nan 8.290 nan 0.000 0.527 371 H N 0.354 119.378 119.070 -0.076 0.000 2.505 371 H HA 0.659 5.215 4.556 -0.000 0.000 0.355 371 H C 0.979 176.271 175.328 -0.060 0.000 1.179 371 H CA -0.460 55.548 56.048 -0.067 0.000 1.343 371 H CB 1.190 30.927 29.762 -0.042 0.000 1.501 371 H HN 0.536 nan 8.280 nan 0.000 0.569 372 A N 1.711 124.579 122.820 0.079 0.000 2.507 372 A HA 0.217 4.537 4.320 -0.000 0.000 0.235 372 A C -0.138 177.475 177.584 0.049 0.000 1.070 372 A CA -0.322 51.733 52.037 0.030 0.000 0.768 372 A CB 0.068 19.075 19.000 0.012 0.000 1.011 372 A HN 0.432 nan 8.150 nan 0.000 0.502 373 V N 4.217 124.159 119.914 0.047 0.000 2.398 373 V HA 0.370 4.490 4.120 -0.000 0.000 0.286 373 V C -2.083 174.039 176.094 0.046 0.000 1.026 373 V CA -1.197 61.136 62.300 0.055 0.000 0.868 373 V CB 1.207 33.074 31.823 0.073 0.000 0.982 373 V HN 0.867 nan 8.190 nan 0.000 0.443 374 P HA 0.254 nan 4.420 nan 0.000 0.276 374 P C -0.686 176.631 177.300 0.027 0.000 1.230 374 P CA -0.537 62.580 63.100 0.027 0.000 0.776 374 P CB 0.356 32.069 31.700 0.022 0.000 0.888 375 D N 1.577 121.986 120.400 0.015 0.000 2.571 375 D HA 0.215 4.855 4.640 -0.000 0.000 0.231 375 D C 1.639 177.947 176.300 0.013 0.000 1.133 375 D CA 1.969 55.971 54.000 0.004 0.000 0.862 375 D CB 0.016 40.807 40.800 -0.015 0.000 1.179 375 D HN 0.706 nan 8.370 nan 0.000 0.474 376 G N 2.159 110.970 108.800 0.018 0.000 2.234 376 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.235 376 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.235 376 G C 0.285 175.208 174.900 0.038 0.000 0.997 376 G CA -0.067 45.048 45.100 0.026 0.000 0.623 376 G HN 0.523 nan 8.290 nan 0.000 0.514 377 E N -0.247 119.979 120.200 0.043 0.000 2.250 377 E HA 0.584 4.934 4.350 -0.000 0.000 0.269 377 E C -0.239 176.400 176.600 0.064 0.000 1.018 377 E CA -0.764 55.666 56.400 0.051 0.000 0.873 377 E CB 2.432 32.161 29.700 0.048 0.000 1.134 377 E HN 0.078 nan 8.360 nan 0.000 0.403 378 V N 1.685 121.633 119.914 0.057 0.000 2.439 378 V HA 0.557 4.677 4.120 -0.000 0.000 0.282 378 V C 0.489 176.615 176.094 0.053 0.000 1.039 378 V CA -0.095 62.239 62.300 0.057 0.000 0.913 378 V CB 1.294 33.132 31.823 0.024 0.000 0.983 378 V HN 0.787 nan 8.190 nan 0.000 0.460 379 G N 2.810 111.665 108.800 0.092 0.000 3.015 379 G HA2 0.521 4.481 3.960 -0.000 0.000 0.281 379 G HA3 0.521 4.481 3.960 -0.000 0.000 0.281 379 G C -1.467 173.495 174.900 0.104 0.000 1.386 379 G CA -0.638 44.514 45.100 0.086 0.000 0.959 379 G HN 0.515 nan 8.290 nan 0.000 0.522 380 D N 0.100 120.564 120.400 0.105 0.000 2.256 380 D HA 0.318 4.958 4.640 -0.000 0.000 0.250 380 D C -0.307 176.066 176.300 0.122 0.000 1.093 380 D CA -0.138 53.906 54.000 0.074 0.000 0.882 380 D CB 2.425 43.253 40.800 0.047 0.000 1.185 380 D HN 0.146 nan 8.370 nan 0.000 0.437 381 L N 3.542 124.795 121.223 0.049 0.000 2.290 381 L HA 0.245 4.585 4.340 -0.000 0.000 0.284 381 L C -1.356 175.412 176.870 -0.171 0.000 1.078 381 L CA -0.102 54.771 54.840 0.055 0.000 0.815 381 L CB 0.078 42.215 42.059 0.130 0.000 1.162 381 L HN 0.239 nan 8.230 nan 0.000 0.435 382 Y N 5.080 125.390 120.300 0.016 0.000 2.429 382 Y HA 0.646 5.196 4.550 -0.000 0.000 0.342 382 Y C -0.375 175.637 175.900 0.187 0.000 1.004 382 Y CA -0.731 57.413 58.100 0.074 0.000 1.075 382 Y CB 1.696 40.176 38.460 0.033 0.000 1.214 382 Y HN 0.390 nan 8.280 nan 0.000 0.455 383 I N 3.055 123.776 120.570 0.251 0.000 2.465 383 I HA 0.352 4.522 4.170 -0.000 0.000 0.291 383 I C -0.689 175.381 176.117 -0.078 0.000 1.014 383 I CA -0.794 60.500 61.300 -0.011 0.000 1.093 383 I CB 1.857 39.519 38.000 -0.564 0.000 1.267 383 I HN 0.405 nan 8.210 nan 0.000 0.431 384 K N 4.798 124.948 120.400 -0.416 0.000 2.307 384 K HA 0.835 5.155 4.320 -0.000 0.000 0.263 384 K C -0.671 175.693 176.600 -0.394 0.000 0.973 384 K CA -0.384 55.429 56.287 -0.791 0.000 0.846 384 K CB 1.524 32.971 32.500 -1.755 0.000 1.100 384 K HN 0.906 nan 8.250 nan 0.000 0.438 385 G N 3.082 111.695 108.800 -0.313 0.000 2.547 385 G HA2 0.260 4.220 3.960 -0.000 0.000 0.291 385 G HA3 0.260 4.220 3.960 -0.000 0.000 0.291 385 G C -2.659 172.034 174.900 -0.344 0.000 1.471 385 G CA -0.877 43.995 45.100 -0.381 0.000 0.798 385 G HN 0.404 nan 8.290 nan 0.000 0.504 386 P HA 0.087 nan 4.420 nan 0.000 0.249 386 P C 1.056 178.275 177.300 -0.134 0.000 1.229 386 P CA 0.646 63.446 63.100 -0.500 0.000 0.788 386 P CB 0.503 31.507 31.700 -1.160 0.000 1.072 387 S N -1.752 113.996 115.700 0.079 0.000 2.554 387 S HA 0.430 4.900 4.470 -0.000 0.000 0.226 387 S C 1.035 175.813 174.600 0.297 0.000 0.980 387 S CA -0.444 57.936 58.200 0.300 0.000 0.939 387 S CB -0.426 63.031 63.200 0.429 0.000 0.832 387 S HN 0.175 nan 8.310 nan 0.000 0.486 388 A N 1.917 124.841 122.820 0.172 0.000 2.540 388 A HA 0.613 4.933 4.320 -0.000 0.000 0.239 388 A C 0.933 178.553 177.584 0.059 0.000 1.061 388 A CA 0.099 52.224 52.037 0.146 0.000 0.758 388 A CB -0.552 18.485 19.000 0.061 0.000 0.991 388 A HN 0.947 nan 8.150 nan 0.000 0.502 389 A N 2.233 125.029 122.820 -0.040 0.000 2.475 389 A HA 0.345 4.665 4.320 -0.000 0.000 0.239 389 A C 1.337 178.517 177.584 -0.673 0.000 1.087 389 A CA 0.300 52.008 52.037 -0.549 0.000 0.779 389 A CB -0.044 18.555 19.000 -0.669 0.000 1.036 389 A HN 1.235 nan 8.150 nan 0.000 0.506 390 V N 0.720 120.220 119.914 -0.689 0.000 2.446 390 V HA 0.064 4.184 4.120 -0.000 0.000 0.244 390 V C 0.954 176.513 176.094 -0.892 0.000 1.039 390 V CA 2.160 64.108 62.300 -0.587 0.000 1.045 390 V CB -1.230 30.392 31.823 -0.335 0.000 0.681 390 V HN 0.943 nan 8.190 nan 0.000 0.459 391 M N -2.946 116.004 119.600 -1.084 0.000 3.231 391 M HA 0.411 4.891 4.480 -0.000 0.000 0.282 391 M C -2.161 173.768 176.300 -0.619 0.000 1.126 391 M CA -0.897 53.835 55.300 -0.947 0.000 0.820 391 M CB 1.665 34.026 32.600 -0.399 0.000 1.624 391 M HN -0.150 nan 8.290 nan 0.000 0.535 392 Y N 1.312 121.589 120.300 -0.039 0.000 2.320 392 Y HA 0.362 4.912 4.550 -0.000 0.000 0.334 392 Y C -0.305 175.569 175.900 -0.043 0.000 1.055 392 Y CA -0.325 57.780 58.100 0.008 0.000 1.143 392 Y CB 0.819 39.363 38.460 0.140 0.000 1.193 392 Y HN 0.568 nan 8.280 nan 0.000 0.477 393 W N 5.471 126.653 121.300 -0.197 0.000 2.264 393 W HA -0.053 4.607 4.660 -0.000 0.000 0.331 393 W C 0.580 177.080 176.519 -0.033 0.000 1.364 393 W CA 0.229 57.390 57.345 -0.306 0.000 1.253 393 W CB 0.409 29.369 29.460 -0.834 0.000 1.215 393 W HN 0.876 nan 8.180 nan 0.000 0.561 394 N N 3.811 122.149 118.700 -0.603 0.000 2.727 394 N HA -0.293 4.447 4.740 -0.000 0.000 0.249 394 N C -1.363 174.139 175.510 -0.012 0.000 1.048 394 N CA 1.229 54.071 53.050 -0.347 0.000 0.714 394 N CB -1.488 36.819 38.487 -0.301 0.000 0.959 394 N HN 0.444 nan 8.380 nan 0.000 0.544 395 N N 0.244 118.946 118.700 0.005 0.000 2.751 395 N HA 0.230 4.970 4.740 -0.000 0.000 0.238 395 N C 0.557 176.114 175.510 0.079 0.000 1.351 395 N CA -0.503 52.597 53.050 0.084 0.000 0.751 395 N CB 0.444 39.022 38.487 0.152 0.000 1.342 395 N HN 0.083 nan 8.380 nan 0.000 0.540 396 R N 0.727 121.243 120.500 0.027 0.000 2.075 396 R HA -0.089 4.251 4.340 -0.000 0.000 0.232 396 R C 1.446 177.783 176.300 0.062 0.000 1.126 396 R CA 1.014 57.130 56.100 0.025 0.000 0.963 396 R CB -0.186 30.110 30.300 -0.007 0.000 0.858 396 R HN 0.675 nan 8.270 nan 0.000 0.435 397 E N 0.711 120.945 120.200 0.056 0.000 2.031 397 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 397 E C 1.519 178.169 176.600 0.083 0.000 0.994 397 E CA 1.146 57.578 56.400 0.053 0.000 0.800 397 E CB 0.214 29.933 29.700 0.032 0.000 0.752 397 E HN -0.027 nan 8.360 nan 0.000 0.447 398 K N 0.414 120.883 120.400 0.116 0.000 2.097 398 K HA -0.004 4.316 4.320 -0.000 0.000 0.205 398 K C 2.321 179.127 176.600 0.342 0.000 1.050 398 K CA 0.889 57.285 56.287 0.181 0.000 0.938 398 K CB -0.446 32.114 32.500 0.101 0.000 0.718 398 K HN 0.031 nan 8.250 nan 0.000 0.442 399 S N 1.123 117.049 115.700 0.376 0.000 2.353 399 S HA -0.122 4.348 4.470 -0.000 0.000 0.222 399 S C 1.966 176.703 174.600 0.229 0.000 1.035 399 S CA 1.265 59.681 58.200 0.358 0.000 1.025 399 S CB -0.146 63.182 63.200 0.214 0.000 0.902 399 S HN 0.316 nan 8.310 nan 0.000 0.440 400 R N 0.973 121.554 120.500 0.136 0.000 2.152 400 R HA 0.059 4.399 4.340 -0.000 0.000 0.232 400 R C 2.242 178.581 176.300 0.066 0.000 1.117 400 R CA 1.049 57.201 56.100 0.088 0.000 0.981 400 R CB -0.305 30.028 30.300 0.055 0.000 0.870 400 R HN 0.390 nan 8.270 nan 0.000 0.451 401 A N -0.417 122.437 122.820 0.058 0.000 2.123 401 A HA -0.007 4.313 4.320 -0.000 0.000 0.214 401 A C 1.560 179.128 177.584 -0.027 0.000 1.152 401 A CA 1.110 53.162 52.037 0.025 0.000 0.728 401 A CB 0.139 19.155 19.000 0.026 0.000 0.814 401 A HN 0.201 nan 8.150 nan 0.000 0.464 402 T N -1.743 112.746 114.554 -0.108 0.000 3.058 402 T HA 0.282 4.632 4.350 -0.000 0.000 0.247 402 T C -0.265 174.155 174.700 -0.465 0.000 0.987 402 T CA 0.024 61.896 62.100 -0.379 0.000 1.062 402 T CB -0.004 68.459 68.868 -0.676 0.000 1.048 402 T HN 0.205 nan 8.240 nan 0.000 0.468 403 F N 2.802 122.719 119.950 -0.054 0.000 2.351 403 F HA 0.454 4.981 4.527 -0.000 0.000 0.362 403 F C 0.211 176.009 175.800 -0.004 0.000 1.131 403 F CA -0.925 57.034 58.000 -0.068 0.000 1.187 403 F CB 0.043 38.950 39.000 -0.155 0.000 1.434 403 F HN -0.027 nan 8.300 nan 0.000 0.553 404 L N 3.794 125.119 121.223 0.170 0.000 3.029 404 L HA 0.440 4.780 4.340 -0.000 0.000 0.231 404 L C 1.168 178.138 176.870 0.166 0.000 1.327 404 L CA -0.247 54.689 54.840 0.160 0.000 1.166 404 L CB -0.719 41.449 42.059 0.182 0.000 1.532 404 L HN 0.882 nan 8.230 nan 0.000 0.473 405 G N 0.671 109.544 108.800 0.122 0.000 2.588 405 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.273 405 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.273 405 G C 0.815 175.735 174.900 0.034 0.000 1.211 405 G CA 0.131 45.275 45.100 0.074 0.000 0.958 405 G HN 0.376 nan 8.290 nan 0.000 0.543 406 E N 0.279 120.479 120.200 -0.000 0.000 2.274 406 E HA 0.021 4.370 4.350 -0.000 0.000 0.194 406 E C 0.570 176.933 176.600 -0.395 0.000 0.996 406 E CA 0.996 57.261 56.400 -0.225 0.000 0.840 406 E CB 0.127 29.627 29.700 -0.333 0.000 0.772 406 E HN 0.472 nan 8.360 nan 0.000 0.491 407 W N 0.448 121.757 121.300 0.014 0.000 2.551 407 W HA 0.413 5.072 4.660 -0.000 0.000 0.330 407 W C -0.178 176.375 176.519 0.056 0.000 1.063 407 W CA -0.757 56.611 57.345 0.038 0.000 1.222 407 W CB 0.690 30.178 29.460 0.048 0.000 1.349 407 W HN -0.222 nan 8.180 nan 0.000 0.536 408 I N 2.776 123.482 120.570 0.226 0.000 2.377 408 I HA 0.251 4.421 4.170 -0.000 0.000 0.293 408 I C 0.368 176.491 176.117 0.010 0.000 0.987 408 I CA -1.434 59.893 61.300 0.044 0.000 1.185 408 I CB 1.345 39.307 38.000 -0.064 0.000 1.341 408 I HN 0.294 nan 8.210 nan 0.000 0.455 409 R N 4.063 124.496 120.500 -0.111 0.000 2.288 409 R HA 0.126 4.466 4.340 -0.000 0.000 0.330 409 R C 1.134 177.235 176.300 -0.333 0.000 1.069 409 R CA 0.388 56.259 56.100 -0.382 0.000 0.941 409 R CB 0.580 30.733 30.300 -0.245 0.000 0.998 409 R HN 0.842 nan 8.270 nan 0.000 0.452 410 S N 3.264 118.754 115.700 -0.350 0.000 2.436 410 S HA 0.019 4.489 4.470 -0.000 0.000 0.228 410 S C 1.469 176.020 174.600 -0.083 0.000 1.014 410 S CA 0.672 58.774 58.200 -0.163 0.000 0.950 410 S CB 0.015 63.163 63.200 -0.087 0.000 0.784 410 S HN 0.984 nan 8.310 nan 0.000 0.504 411 G N 0.918 109.644 108.800 -0.122 0.000 2.184 411 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.264 411 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.264 411 G C -0.351 174.566 174.900 0.029 0.000 0.975 411 G CA 0.395 45.466 45.100 -0.048 0.000 0.642 411 G HN 0.605 nan 8.290 nan 0.000 0.536 412 D N 0.328 120.782 120.400 0.090 0.000 2.217 412 D HA 0.518 5.158 4.640 -0.000 0.000 0.248 412 D C 0.152 176.556 176.300 0.174 0.000 1.008 412 D CA -0.254 53.883 54.000 0.229 0.000 0.914 412 D CB 1.195 42.276 40.800 0.469 0.000 1.182 412 D HN 0.025 nan 8.370 nan 0.000 0.451 413 K N 1.433 121.882 120.400 0.082 0.000 2.164 413 K HA 0.491 4.811 4.320 -0.000 0.000 0.258 413 K C -0.973 175.622 176.600 -0.008 0.000 0.951 413 K CA -0.622 55.678 56.287 0.022 0.000 0.844 413 K CB 1.793 34.232 32.500 -0.102 0.000 1.099 413 K HN 0.468 nan 8.250 nan 0.000 0.435 414 Y N -0.650 119.706 120.300 0.094 0.000 2.544 414 Y HA 0.285 4.835 4.550 -0.000 0.000 0.342 414 Y C -0.637 175.357 175.900 0.156 0.000 1.062 414 Y CA -0.700 57.506 58.100 0.177 0.000 1.023 414 Y CB 2.093 40.713 38.460 0.268 0.000 1.308 414 Y HN 0.643 nan 8.280 nan 0.000 0.457 415 C N 3.401 122.907 119.300 0.343 0.000 2.707 415 C HA 0.753 5.213 4.460 -0.000 0.000 0.313 415 C C -1.063 174.043 174.990 0.193 0.000 1.209 415 C CA -0.621 58.521 59.018 0.207 0.000 1.635 415 C CB 1.533 29.335 27.740 0.104 0.000 2.206 415 C HN 0.954 nan 8.230 nan 0.000 0.485 416 R N 4.036 124.553 120.500 0.030 0.000 2.480 416 R HA 0.639 4.979 4.340 -0.000 0.000 0.306 416 R C -1.085 175.148 176.300 -0.112 0.000 0.958 416 R CA -0.522 55.463 56.100 -0.193 0.000 0.861 416 R CB 0.947 31.012 30.300 -0.393 0.000 1.171 416 R HN 0.804 nan 8.270 nan 0.000 0.445 417 L N 6.068 127.226 121.223 -0.108 0.000 2.453 417 L HA 0.258 4.598 4.340 -0.000 0.000 0.261 417 L C -1.319 175.516 176.870 -0.058 0.000 1.179 417 L CA -1.872 52.938 54.840 -0.050 0.000 0.813 417 L CB 0.715 42.764 42.059 -0.017 0.000 1.110 417 L HN 0.511 nan 8.230 nan 0.000 0.466 418 P HA -0.227 nan 4.420 nan 0.000 0.217 418 P C 0.850 178.136 177.300 -0.023 0.000 1.158 418 P CA 1.559 64.647 63.100 -0.020 0.000 0.887 418 P CB -0.128 31.569 31.700 -0.006 0.000 0.792 419 N N -1.306 117.383 118.700 -0.018 0.000 2.571 419 N HA -0.025 4.715 4.740 -0.000 0.000 0.189 419 N C 1.278 176.776 175.510 -0.020 0.000 1.154 419 N CA 1.426 54.469 53.050 -0.010 0.000 0.907 419 N CB -1.041 37.448 38.487 0.003 0.000 0.977 419 N HN 0.290 nan 8.380 nan 0.000 0.449 420 G N -1.181 107.583 108.800 -0.061 0.000 2.194 420 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.236 420 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.236 420 G C -0.061 174.751 174.900 -0.147 0.000 0.987 420 G CA 0.078 45.119 45.100 -0.099 0.000 0.635 420 G HN 0.494 nan 8.290 nan 0.000 0.520 421 C N 1.120 120.373 119.300 -0.078 0.000 2.593 421 C HA 0.578 5.038 4.460 -0.000 0.000 0.409 421 C C 0.597 175.554 174.990 -0.055 0.000 1.304 421 C CA -0.512 58.508 59.018 0.003 0.000 2.007 421 C CB -0.768 27.005 27.740 0.055 0.000 2.614 421 C HN 0.320 nan 8.230 nan 0.000 0.585 422 Y N 1.494 121.877 120.300 0.138 0.000 2.308 422 Y HA 0.499 5.049 4.550 -0.000 0.000 0.329 422 Y C 0.353 176.467 175.900 0.358 0.000 1.111 422 Y CA -0.162 58.082 58.100 0.239 0.000 1.179 422 Y CB 0.856 39.396 38.460 0.133 0.000 1.201 422 Y HN 0.362 nan 8.280 nan 0.000 0.483 423 V N 4.253 124.481 119.914 0.523 0.000 2.444 423 V HA 0.140 4.260 4.120 -0.000 0.000 0.294 423 V C -0.908 175.217 176.094 0.053 0.000 1.022 423 V CA -1.268 61.204 62.300 0.287 0.000 0.850 423 V CB 1.025 32.935 31.823 0.145 0.000 0.992 423 V HN 0.560 nan 8.190 nan 0.000 0.426 424 Y N 3.931 124.025 120.300 -0.344 0.000 2.442 424 Y HA 0.464 5.014 4.550 -0.000 0.000 0.330 424 Y C 0.954 176.615 175.900 -0.399 0.000 1.129 424 Y CA 0.152 57.748 58.100 -0.839 0.000 1.365 424 Y CB 1.511 39.662 38.460 -0.516 0.000 1.233 424 Y HN 0.702 nan 8.280 nan 0.000 0.529 425 A N 3.868 126.216 122.820 -0.786 0.000 2.140 425 A HA 0.592 4.912 4.320 -0.000 0.000 0.209 425 A C 0.964 178.112 177.584 -0.726 0.000 1.181 425 A CA 0.713 52.428 52.037 -0.537 0.000 0.824 425 A CB -0.564 18.265 19.000 -0.285 0.000 0.879 425 A HN 1.493 nan 8.150 nan 0.000 0.480 426 G N -0.853 107.104 108.800 -1.405 0.000 2.343 426 G HA2 0.148 4.108 3.960 -0.000 0.000 0.465 426 G HA3 0.148 4.108 3.960 -0.000 0.000 0.465 426 G C -1.154 173.458 174.900 -0.481 0.000 1.282 426 G CA -1.058 43.428 45.100 -1.024 0.000 0.996 426 G HN 0.289 nan 8.290 nan 0.000 0.521 427 R N 0.231 120.667 120.500 -0.108 0.000 2.539 427 R HA 0.463 4.802 4.340 -0.000 0.000 0.275 427 R C 1.764 178.043 176.300 -0.034 0.000 1.077 427 R CA 0.278 56.390 56.100 0.020 0.000 1.097 427 R CB 1.141 31.483 30.300 0.071 0.000 1.018 427 R HN 0.705 nan 8.270 nan 0.000 0.483 428 S N 1.357 117.043 115.700 -0.022 0.000 2.365 428 S HA -0.185 4.285 4.470 -0.000 0.000 0.225 428 S C 0.882 175.467 174.600 -0.025 0.000 1.039 428 S CA 1.779 59.953 58.200 -0.045 0.000 1.033 428 S CB -0.016 63.154 63.200 -0.050 0.000 0.887 428 S HN 0.499 nan 8.310 nan 0.000 0.447 429 D N 1.022 121.415 120.400 -0.010 0.000 2.310 429 D HA -0.022 4.618 4.640 -0.000 0.000 0.212 429 D C 0.928 177.240 176.300 0.020 0.000 0.965 429 D CA 0.751 54.753 54.000 0.003 0.000 0.879 429 D CB -0.310 40.488 40.800 -0.004 0.000 0.921 429 D HN 0.502 nan 8.370 nan 0.000 0.510 430 D N -0.499 119.909 120.400 0.013 0.000 2.369 430 D HA 0.020 4.660 4.640 -0.000 0.000 0.211 430 D C 0.721 177.029 176.300 0.014 0.000 1.077 430 D CA -0.085 53.925 54.000 0.017 0.000 0.842 430 D CB 0.332 41.138 40.800 0.009 0.000 0.947 430 D HN 0.091 nan 8.370 nan 0.000 0.509 431 M N 1.048 120.662 119.600 0.025 0.000 2.245 431 M HA 0.162 4.642 4.480 -0.000 0.000 0.344 431 M C 0.339 176.708 176.300 0.115 0.000 1.170 431 M CA 0.078 55.420 55.300 0.069 0.000 1.135 431 M CB 0.530 33.187 32.600 0.096 0.000 1.574 431 M HN -0.163 nan 8.290 nan 0.000 0.452 432 L N 2.288 123.572 121.223 0.101 0.000 2.344 432 L HA 0.595 4.935 4.340 -0.000 0.000 0.272 432 L C 0.221 177.097 176.870 0.009 0.000 1.035 432 L CA -0.547 54.322 54.840 0.049 0.000 0.807 432 L CB 1.231 43.294 42.059 0.007 0.000 1.237 432 L HN 0.648 nan 8.230 nan 0.000 0.442 439 V N 1.999 122.015 119.914 0.171 0.000 2.588 439 V HA 0.455 4.575 4.120 -0.000 0.000 0.304 439 V C -0.229 175.889 176.094 0.040 0.000 1.042 439 V CA -0.964 61.380 62.300 0.074 0.000 0.877 439 V CB 2.029 33.847 31.823 -0.008 0.000 0.996 439 V HN 0.741 nan 8.190 nan 0.000 0.425 440 S N 6.884 122.582 115.700 -0.002 0.000 2.465 440 S HA 0.219 4.689 4.470 -0.000 0.000 0.280 440 S C -0.859 173.706 174.600 -0.059 0.000 1.232 440 S CA -0.900 57.266 58.200 -0.056 0.000 1.066 440 S CB 0.930 64.081 63.200 -0.083 0.000 0.929 440 S HN 0.659 nan 8.310 nan 0.000 0.494 441 P HA -0.086 nan 4.420 nan 0.000 0.217 441 P C 1.513 178.789 177.300 -0.041 0.000 1.150 441 P CA 0.826 63.903 63.100 -0.038 0.000 0.832 441 P CB -0.081 31.601 31.700 -0.029 0.000 0.787 442 V N 1.082 120.943 119.914 -0.089 0.000 2.358 442 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 442 V C 2.794 178.871 176.094 -0.028 0.000 1.047 442 V CA 2.002 64.263 62.300 -0.065 0.000 1.035 442 V CB -1.350 30.383 31.823 -0.150 0.000 0.658 442 V HN 0.195 nan 8.190 nan 0.000 0.452 443 E N 0.377 120.549 120.200 -0.046 0.000 2.085 443 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 443 E C 2.142 178.744 176.600 0.004 0.000 0.994 443 E CA 1.944 58.334 56.400 -0.017 0.000 0.801 443 E CB -0.033 29.651 29.700 -0.027 0.000 0.743 443 E HN 0.451 nan 8.360 nan 0.000 0.453 444 V N 1.157 121.070 119.914 -0.003 0.000 2.358 444 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 444 V C 2.142 178.263 176.094 0.043 0.000 1.047 444 V CA 2.147 64.457 62.300 0.018 0.000 1.035 444 V CB -0.632 31.192 31.823 0.002 0.000 0.658 444 V HN 0.270 nan 8.190 nan 0.000 0.452 445 E N -0.261 119.961 120.200 0.036 0.000 2.058 445 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 445 E C 2.287 178.926 176.600 0.066 0.000 0.997 445 E CA 1.521 57.951 56.400 0.050 0.000 0.801 445 E CB -0.229 29.499 29.700 0.046 0.000 0.746 445 E HN 0.356 nan 8.360 nan 0.000 0.450 446 M N 0.289 119.927 119.600 0.063 0.000 2.213 446 M HA -0.125 4.354 4.480 -0.000 0.000 0.263 446 M C 2.313 178.675 176.300 0.103 0.000 1.062 446 M CA 1.056 56.401 55.300 0.076 0.000 1.105 446 M CB -0.642 31.998 32.600 0.068 0.000 1.385 446 M HN 0.048 nan 8.290 nan 0.000 0.417 447 V N 0.031 120.012 119.914 0.112 0.000 2.283 447 V HA -0.221 3.899 4.120 -0.000 0.000 0.243 447 V C 2.519 178.787 176.094 0.291 0.000 1.039 447 V CA 1.139 63.546 62.300 0.179 0.000 1.016 447 V CB -0.644 31.252 31.823 0.121 0.000 0.650 447 V HN 0.356 nan 8.190 nan 0.000 0.449 448 L N 0.698 122.039 121.223 0.196 0.000 2.021 448 L HA -0.228 4.112 4.340 -0.000 0.000 0.215 448 L C 2.535 179.445 176.870 0.066 0.000 1.074 448 L CA 2.249 57.169 54.840 0.132 0.000 0.760 448 L CB -0.686 41.411 42.059 0.063 0.000 0.889 448 L HN 0.486 nan 8.230 nan 0.000 0.433 449 V N -3.581 116.377 119.914 0.074 0.000 2.913 449 V HA -0.215 3.905 4.120 -0.000 0.000 0.260 449 V C 1.968 178.087 176.094 0.041 0.000 1.098 449 V CA 1.215 63.541 62.300 0.044 0.000 1.121 449 V CB -0.727 31.128 31.823 0.053 0.000 0.714 449 V HN 0.527 nan 8.190 nan 0.000 0.487 450 Q N -0.376 119.488 119.800 0.107 0.000 2.369 450 Q HA -0.035 4.305 4.340 -0.000 0.000 0.206 450 Q C 1.079 177.074 176.000 -0.009 0.000 0.963 450 Q CA 0.592 56.472 55.803 0.128 0.000 0.894 450 Q CB -0.196 28.709 28.738 0.278 0.000 0.965 450 Q HN 0.798 nan 8.270 nan 0.000 0.475 451 H N 1.527 120.351 119.070 -0.410 0.000 2.764 451 H HA -0.040 4.516 4.556 -0.000 0.000 0.341 451 H C 0.273 175.349 175.328 -0.420 0.000 1.072 451 H CA 0.255 55.828 56.048 -0.791 0.000 1.444 451 H CB 0.967 30.041 29.762 -1.147 0.000 1.458 451 H HN 0.126 nan 8.280 nan 0.000 0.572 452 D N 3.760 123.778 120.400 -0.637 0.000 2.218 452 D HA -0.118 4.522 4.640 -0.000 0.000 0.204 452 D C 1.760 177.761 176.300 -0.499 0.000 0.976 452 D CA 1.246 55.017 54.000 -0.383 0.000 0.853 452 D CB -0.000 40.633 40.800 -0.277 0.000 0.939 452 D HN 0.664 nan 8.370 nan 0.000 0.481 453 A N 0.420 122.861 122.820 -0.632 0.000 2.066 453 A HA 0.016 4.336 4.320 -0.000 0.000 0.218 453 A C 1.212 178.534 177.584 -0.437 0.000 1.157 453 A CA 0.297 51.642 52.037 -1.153 0.000 0.670 453 A CB 0.172 18.616 19.000 -0.926 0.000 0.804 453 A HN 0.060 nan 8.150 nan 0.000 0.453 454 V N 0.918 120.714 119.914 -0.197 0.000 2.406 454 V HA 0.193 4.313 4.120 -0.000 0.000 0.272 454 V C 1.155 177.231 176.094 -0.030 0.000 1.043 454 V CA -0.233 62.021 62.300 -0.077 0.000 0.915 454 V CB 1.240 33.029 31.823 -0.058 0.000 0.988 454 V HN 0.468 nan 8.190 nan 0.000 0.466 455 L N 4.546 125.777 121.223 0.015 0.000 2.200 455 L HA 0.381 4.721 4.340 -0.000 0.000 0.200 455 L C 0.782 177.684 176.870 0.053 0.000 1.072 455 L CA 1.595 56.462 54.840 0.044 0.000 0.787 455 L CB 0.177 42.274 42.059 0.064 0.000 0.957 455 L HN 0.752 nan 8.230 nan 0.000 0.459 456 E N -1.267 118.968 120.200 0.057 0.000 2.408 456 E HA 0.714 5.064 4.350 -0.000 0.000 0.275 456 E C -1.499 175.138 176.600 0.062 0.000 0.935 456 E CA -0.582 55.855 56.400 0.061 0.000 0.775 456 E CB 2.017 31.756 29.700 0.064 0.000 1.277 456 E HN 0.152 nan 8.360 nan 0.000 0.455 457 A N 0.689 123.546 122.820 0.062 0.000 2.547 457 A HA 0.801 5.121 4.320 -0.000 0.000 0.297 457 A C -1.701 175.927 177.584 0.073 0.000 1.056 457 A CA -0.378 51.699 52.037 0.067 0.000 0.688 457 A CB 1.762 20.791 19.000 0.049 0.000 1.282 457 A HN 0.566 nan 8.150 nan 0.000 0.400 458 A N 0.899 123.780 122.820 0.101 0.000 2.371 458 A HA 0.762 5.082 4.320 -0.000 0.000 0.311 458 A C -1.115 176.556 177.584 0.144 0.000 1.068 458 A CA -0.528 51.566 52.037 0.096 0.000 0.744 458 A CB 1.507 20.538 19.000 0.051 0.000 1.239 458 A HN 1.472 nan 8.150 nan 0.000 0.435 459 V N 3.049 123.021 119.914 0.096 0.000 2.444 459 V HA 0.632 4.752 4.120 -0.000 0.000 0.294 459 V C -0.043 176.099 176.094 0.081 0.000 1.022 459 V CA -0.340 62.013 62.300 0.088 0.000 0.850 459 V CB 1.115 32.960 31.823 0.036 0.000 0.992 459 V HN 1.186 nan 8.190 nan 0.000 0.426 460 V N 1.901 121.887 119.914 0.119 0.000 3.141 460 V HA 1.036 5.156 4.120 -0.000 0.000 0.312 460 V C 0.158 176.298 176.094 0.076 0.000 1.157 460 V CA -0.701 61.655 62.300 0.094 0.000 1.041 460 V CB 2.084 33.971 31.823 0.105 0.000 1.071 460 V HN 0.870 nan 8.190 nan 0.000 0.441 461 G N 0.665 109.496 108.800 0.052 0.000 2.370 461 G HA2 0.636 4.596 3.960 -0.000 0.000 0.317 461 G HA3 0.636 4.596 3.960 -0.000 0.000 0.317 461 G C -0.546 174.378 174.900 0.039 0.000 1.162 461 G CA -0.190 44.930 45.100 0.033 0.000 0.922 461 G HN 1.729 nan 8.290 nan 0.000 0.454 462 V N 0.503 120.446 119.914 0.049 0.000 2.495 462 V HA 0.561 4.681 4.120 -0.000 0.000 0.298 462 V C -0.639 175.442 176.094 -0.021 0.000 1.031 462 V CA -1.328 60.985 62.300 0.022 0.000 0.871 462 V CB 1.971 33.851 31.823 0.094 0.000 0.988 462 V HN 0.575 nan 8.190 nan 0.000 0.432 463 D N 3.031 123.362 120.400 -0.115 0.000 2.277 463 D HA 0.295 4.935 4.640 -0.000 0.000 0.249 463 D C -0.898 175.242 176.300 -0.267 0.000 1.134 463 D CA -0.019 53.914 54.000 -0.111 0.000 0.863 463 D CB 0.572 41.324 40.800 -0.080 0.000 1.143 463 D HN 0.804 nan 8.370 nan 0.000 0.458 464 H N 1.900 120.965 119.070 -0.008 0.000 3.078 464 H HA 0.294 4.850 4.556 -0.000 0.000 0.319 464 H C 0.713 176.034 175.328 -0.011 0.000 0.995 464 H CA -0.087 55.956 56.048 -0.009 0.000 1.417 464 H CB 1.561 31.315 29.762 -0.013 0.000 1.598 464 H HN 0.715 nan 8.280 nan 0.000 0.515 465 G N 2.054 110.903 108.800 0.082 0.000 2.221 465 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.265 465 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.265 465 G C 1.114 176.029 174.900 0.026 0.000 1.041 465 G CA 0.765 45.894 45.100 0.048 0.000 0.807 465 G HN 1.334 nan 8.290 nan 0.000 0.502 466 G N -1.999 106.809 108.800 0.013 0.000 2.179 466 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.260 466 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.260 466 G C 0.262 175.164 174.900 0.003 0.000 0.977 466 G CA 0.581 45.682 45.100 0.002 0.000 0.641 466 G HN 1.476 nan 8.290 nan 0.000 0.533 467 L N 1.018 122.251 121.223 0.016 0.000 2.325 467 L HA 0.593 4.933 4.340 -0.000 0.000 0.281 467 L C 0.270 177.152 176.870 0.020 0.000 1.004 467 L CA -1.233 53.615 54.840 0.013 0.000 0.823 467 L CB 2.155 44.224 42.059 0.017 0.000 1.236 467 L HN -0.090 nan 8.230 nan 0.000 0.415 468 V N 4.091 124.004 119.914 -0.001 0.000 2.432 468 V HA 0.239 4.359 4.120 -0.000 0.000 0.271 468 V C 0.238 176.328 176.094 -0.005 0.000 1.046 468 V CA -0.380 61.919 62.300 -0.002 0.000 0.945 468 V CB 1.069 32.883 31.823 -0.017 0.000 0.992 468 V HN 0.762 nan 8.190 nan 0.000 0.471 469 K N 2.606 123.015 120.400 0.016 0.000 2.316 469 K HA 0.589 4.909 4.320 -0.000 0.000 0.251 469 K C -0.596 175.992 176.600 -0.019 0.000 0.934 469 K CA -0.593 55.686 56.287 -0.014 0.000 0.802 469 K CB 1.883 34.378 32.500 -0.009 0.000 1.171 469 K HN 0.441 nan 8.250 nan 0.000 0.426 470 T N 2.786 117.301 114.554 -0.065 0.000 2.814 470 T HA 0.141 4.491 4.350 -0.000 0.000 0.297 470 T C -0.344 174.312 174.700 -0.072 0.000 0.956 470 T CA -0.203 61.858 62.100 -0.064 0.000 1.123 470 T CB 0.241 69.046 68.868 -0.105 0.000 0.902 470 T HN 0.543 nan 8.240 nan 0.000 0.528 471 R N 1.725 122.198 120.500 -0.045 0.000 2.513 471 R HA 0.633 4.973 4.340 -0.000 0.000 0.301 471 R C -1.150 175.077 176.300 -0.121 0.000 0.968 471 R CA -0.671 55.352 56.100 -0.128 0.000 0.872 471 R CB 1.085 31.296 30.300 -0.150 0.000 1.177 471 R HN 0.693 nan 8.270 nan 0.000 0.444 472 A N 4.935 127.629 122.820 -0.210 0.000 2.274 472 A HA 0.502 4.822 4.320 -0.000 0.000 0.309 472 A C -1.120 176.271 177.584 -0.321 0.000 1.226 472 A CA -0.476 51.474 52.037 -0.144 0.000 0.853 472 A CB 0.219 19.154 19.000 -0.108 0.000 1.146 472 A HN 0.650 nan 8.150 nan 0.000 0.518 473 F N 2.411 122.307 119.950 -0.090 0.000 2.391 473 F HA 0.460 4.987 4.527 -0.000 0.000 0.359 473 F C 0.162 175.921 175.800 -0.068 0.000 1.122 473 F CA -0.292 57.654 58.000 -0.090 0.000 1.120 473 F CB 1.777 40.743 39.000 -0.058 0.000 1.142 473 F HN 0.248 nan 8.300 nan 0.000 0.483 474 V N 4.841 124.776 119.914 0.035 0.000 2.448 474 V HA 0.385 4.505 4.120 -0.000 0.000 0.295 474 V C -0.439 175.762 176.094 0.179 0.000 1.025 474 V CA -0.895 61.449 62.300 0.074 0.000 0.859 474 V CB 1.906 33.733 31.823 0.007 0.000 0.988 474 V HN 0.420 nan 8.190 nan 0.000 0.431 475 V N 6.665 126.663 119.914 0.140 0.000 2.364 475 V HA 0.398 4.518 4.120 -0.000 0.000 0.272 475 V C 0.122 176.286 176.094 0.118 0.000 1.036 475 V CA -0.352 62.027 62.300 0.132 0.000 0.880 475 V CB 1.256 33.135 31.823 0.094 0.000 0.991 475 V HN 0.613 nan 8.190 nan 0.000 0.460 476 L N 4.597 125.894 121.223 0.123 0.000 2.399 476 L HA 0.432 4.772 4.340 -0.000 0.000 0.266 476 L C 0.696 177.620 176.870 0.091 0.000 1.114 476 L CA -0.555 54.332 54.840 0.079 0.000 0.804 476 L CB 0.845 42.926 42.059 0.037 0.000 1.146 476 L HN 0.542 nan 8.230 nan 0.000 0.451 477 K N 1.143 121.606 120.400 0.105 0.000 2.380 477 K HA 0.002 4.322 4.320 -0.000 0.000 0.267 477 K C 1.193 177.926 176.600 0.222 0.000 0.990 477 K CA -0.134 56.259 56.287 0.177 0.000 0.946 477 K CB 0.667 33.302 32.500 0.225 0.000 0.937 477 K HN 0.554 nan 8.250 nan 0.000 0.491 478 R N 1.181 121.768 120.500 0.144 0.000 2.127 478 R HA -0.203 4.137 4.340 -0.000 0.000 0.238 478 R C 0.632 176.962 176.300 0.050 0.000 1.134 478 R CA 1.702 57.852 56.100 0.084 0.000 0.975 478 R CB -0.197 30.134 30.300 0.052 0.000 0.865 478 R HN 0.541 nan 8.270 nan 0.000 0.447 479 E N 0.146 120.373 120.200 0.044 0.000 2.478 479 E HA 0.056 4.406 4.350 -0.000 0.000 0.198 479 E C -0.578 175.775 176.600 -0.411 0.000 1.046 479 E CA 0.569 56.840 56.400 -0.214 0.000 0.870 479 E CB 0.031 29.507 29.700 -0.374 0.000 0.818 479 E HN 0.287 nan 8.360 nan 0.000 0.527 480 F N -0.093 119.831 119.950 -0.044 0.000 2.520 480 F HA 0.609 5.136 4.527 -0.000 0.000 0.322 480 F C 0.101 175.827 175.800 -0.124 0.000 1.103 480 F CA -1.474 56.482 58.000 -0.073 0.000 0.926 480 F CB 1.520 40.482 39.000 -0.063 0.000 1.154 480 F HN -0.242 nan 8.300 nan 0.000 0.453 481 A N 3.678 126.504 122.820 0.009 0.000 2.312 481 A HA 0.802 5.122 4.320 -0.000 0.000 0.326 481 A C -2.562 174.866 177.584 -0.260 0.000 1.172 481 A CA -1.736 50.241 52.037 -0.100 0.000 0.821 481 A CB 0.344 19.296 19.000 -0.080 0.000 1.166 481 A HN 0.438 nan 8.150 nan 0.000 0.493 482 P HA 0.389 nan 4.420 nan 0.000 0.275 482 P C -0.394 176.697 177.300 -0.348 0.000 1.228 482 P CA 0.061 62.690 63.100 -0.784 0.000 0.786 482 P CB 1.171 32.555 31.700 -0.526 0.000 0.927 483 S N -0.305 115.252 115.700 -0.237 0.000 2.611 483 S HA 0.176 4.646 4.470 -0.000 0.000 0.270 483 S C 0.573 175.255 174.600 0.136 0.000 1.131 483 S CA -0.781 57.415 58.200 -0.006 0.000 0.826 483 S CB 0.936 64.119 63.200 -0.028 0.000 1.095 483 S HN 0.379 nan 8.310 nan 0.000 0.461 484 E N 0.443 120.704 120.200 0.101 0.000 2.208 484 E HA 0.002 4.352 4.350 -0.000 0.000 0.193 484 E C 1.410 178.057 176.600 0.078 0.000 0.988 484 E CA 1.072 57.530 56.400 0.097 0.000 0.828 484 E CB -0.246 29.486 29.700 0.053 0.000 0.763 484 E HN 0.620 nan 8.360 nan 0.000 0.478 485 I N 0.743 121.349 120.570 0.060 0.000 2.202 485 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 485 I C 2.382 178.536 176.117 0.062 0.000 1.091 485 I CA 0.516 61.846 61.300 0.049 0.000 1.368 485 I CB -0.021 38.000 38.000 0.036 0.000 1.058 485 I HN 0.128 nan 8.210 nan 0.000 0.410 486 L N 1.026 122.294 121.223 0.076 0.000 2.046 486 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 486 L C 2.572 179.536 176.870 0.156 0.000 1.077 486 L CA 2.102 56.993 54.840 0.085 0.000 0.747 486 L CB -0.935 41.139 42.059 0.026 0.000 0.896 486 L HN 0.201 nan 8.230 nan 0.000 0.432 487 A N -0.496 122.494 122.820 0.283 0.000 1.884 487 A HA -0.328 3.992 4.320 -0.000 0.000 0.219 487 A C 2.283 179.879 177.584 0.020 0.000 1.197 487 A CA 2.144 54.262 52.037 0.135 0.000 0.637 487 A CB -0.902 18.143 19.000 0.076 0.000 0.827 487 A HN 0.577 nan 8.150 nan 0.000 0.450 488 E N -0.058 120.160 120.200 0.030 0.000 2.077 488 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 488 E C 1.972 178.572 176.600 -0.001 0.000 0.989 488 E CA 1.702 58.105 56.400 0.006 0.000 0.800 488 E CB -0.345 29.363 29.700 0.012 0.000 0.746 488 E HN 0.702 nan 8.360 nan 0.000 0.452 489 E N -0.152 120.055 120.200 0.012 0.000 2.077 489 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 489 E C 2.111 178.700 176.600 -0.018 0.000 0.989 489 E CA 1.259 57.671 56.400 0.020 0.000 0.800 489 E CB -0.134 29.590 29.700 0.039 0.000 0.746 489 E HN 0.355 nan 8.360 nan 0.000 0.452 490 L N 0.502 121.657 121.223 -0.113 0.000 2.056 490 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 490 L C 2.633 179.507 176.870 0.007 0.000 1.078 490 L CA 1.262 56.012 54.840 -0.150 0.000 0.749 490 L CB -0.362 41.578 42.059 -0.199 0.000 0.901 490 L HN 0.051 nan 8.230 nan 0.000 0.433 491 K N 0.314 120.706 120.400 -0.013 0.000 2.009 491 K HA -0.185 4.135 4.320 -0.000 0.000 0.210 491 K C 2.269 178.800 176.600 -0.115 0.000 1.049 491 K CA 1.552 57.828 56.287 -0.018 0.000 0.929 491 K CB -0.403 32.084 32.500 -0.023 0.000 0.714 491 K HN 0.273 nan 8.250 nan 0.000 0.440 492 A N 1.224 123.985 122.820 -0.098 0.000 1.940 492 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 492 A C 2.030 179.606 177.584 -0.012 0.000 1.176 492 A CA 1.401 53.380 52.037 -0.097 0.000 0.631 492 A CB -0.798 18.178 19.000 -0.040 0.000 0.814 492 A HN 0.368 nan 8.150 nan 0.000 0.446 493 F N 0.680 120.596 119.950 -0.056 0.000 2.095 493 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 493 F C 2.275 178.068 175.800 -0.010 0.000 1.104 493 F CA 2.180 60.182 58.000 0.003 0.000 1.232 493 F CB -0.246 38.791 39.000 0.062 0.000 0.987 493 F HN 0.047 nan 8.300 nan 0.000 0.475 494 V N 0.414 120.402 119.914 0.123 0.000 2.307 494 V HA -0.305 3.815 4.120 -0.000 0.000 0.245 494 V C 2.433 178.501 176.094 -0.044 0.000 1.045 494 V CA 2.225 64.555 62.300 0.051 0.000 1.024 494 V CB -0.795 31.110 31.823 0.136 0.000 0.651 494 V HN 0.280 nan 8.190 nan 0.000 0.449 495 K N -0.021 120.312 120.400 -0.111 0.000 2.152 495 K HA -0.244 4.076 4.320 -0.000 0.000 0.206 495 K C 1.673 178.199 176.600 -0.123 0.000 1.048 495 K CA 1.894 58.080 56.287 -0.169 0.000 0.933 495 K CB -0.198 32.044 32.500 -0.429 0.000 0.721 495 K HN 0.458 nan 8.250 nan 0.000 0.447 496 D N -0.298 120.011 120.400 -0.151 0.000 2.310 496 D HA -0.073 4.567 4.640 -0.000 0.000 0.212 496 D C 1.278 177.486 176.300 -0.153 0.000 0.965 496 D CA 0.957 54.868 54.000 -0.149 0.000 0.879 496 D CB 0.196 40.887 40.800 -0.181 0.000 0.921 496 D HN 0.165 nan 8.370 nan 0.000 0.510 497 R N -1.002 119.398 120.500 -0.167 0.000 2.446 497 R HA 0.258 4.598 4.340 -0.000 0.000 0.254 497 R C -0.475 175.779 176.300 -0.075 0.000 0.918 497 R CA 0.009 56.019 56.100 -0.150 0.000 1.069 497 R CB 0.621 30.777 30.300 -0.239 0.000 1.194 497 R HN 0.069 nan 8.270 nan 0.000 0.534 498 L N -4.410 116.784 121.223 -0.049 0.000 2.491 498 L HA 0.728 5.067 4.340 -0.000 0.000 0.254 498 L C -0.553 176.313 176.870 -0.006 0.000 1.048 498 L CA -1.977 52.848 54.840 -0.026 0.000 0.855 498 L CB 0.519 42.558 42.059 -0.033 0.000 1.466 498 L HN -0.201 nan 8.230 nan 0.000 0.409 499 A N 1.003 123.822 122.820 -0.002 0.000 2.561 499 A HA 0.409 4.729 4.320 -0.000 0.000 0.234 499 A C -1.325 176.292 177.584 0.054 0.000 1.055 499 A CA -0.094 51.976 52.037 0.055 0.000 0.756 499 A CB -0.753 18.338 19.000 0.151 0.000 0.986 499 A HN 0.800 nan 8.150 nan 0.000 0.505 500 P HA -0.235 nan 4.420 nan 0.000 0.218 500 P C 0.946 178.347 177.300 0.168 0.000 1.146 500 P CA 1.950 65.170 63.100 0.200 0.000 0.813 500 P CB -0.339 31.462 31.700 0.168 0.000 0.778 501 H N -0.080 119.004 119.070 0.023 0.000 2.559 501 H HA 0.141 4.697 4.556 -0.000 0.000 0.273 501 H C 1.084 176.364 175.328 -0.079 0.000 1.000 501 H CA 0.660 56.680 56.048 -0.047 0.000 1.195 501 H CB -0.352 29.385 29.762 -0.040 0.000 1.368 501 H HN 0.179 nan 8.280 nan 0.000 0.592 502 K N 0.537 120.716 120.400 -0.368 0.000 2.348 502 K HA 0.046 4.366 4.320 -0.000 0.000 0.194 502 K C 0.153 176.670 176.600 -0.138 0.000 1.052 502 K CA -0.183 55.917 56.287 -0.312 0.000 1.004 502 K CB 0.223 32.527 32.500 -0.327 0.000 0.873 502 K HN 0.261 nan 8.250 nan 0.000 0.523 503 Y N 2.808 123.049 120.300 -0.099 0.000 2.457 503 Y HA 0.212 4.762 4.550 -0.000 0.000 0.341 503 Y C -2.628 173.239 175.900 -0.055 0.000 1.240 503 Y CA -3.285 54.778 58.100 -0.061 0.000 1.437 503 Y CB -0.335 38.099 38.460 -0.044 0.000 1.328 503 Y HN -0.131 nan 8.280 nan 0.000 0.588 504 P HA 0.166 nan 4.420 nan 0.000 0.276 504 P C -0.320 176.950 177.300 -0.050 0.000 1.230 504 P CA -0.357 62.708 63.100 -0.058 0.000 0.776 504 P CB 1.298 32.983 31.700 -0.025 0.000 0.888 505 R N 0.907 121.312 120.500 -0.159 0.000 2.200 505 R HA 0.152 4.492 4.340 -0.000 0.000 0.208 505 R C 0.034 176.300 176.300 -0.056 0.000 1.033 505 R CA 0.621 56.663 56.100 -0.096 0.000 1.000 505 R CB -0.525 29.692 30.300 -0.139 0.000 0.906 505 R HN 0.544 nan 8.270 nan 0.000 0.462 506 D N -0.519 119.815 120.400 -0.110 0.000 2.619 506 D HA 0.409 5.049 4.640 -0.000 0.000 0.241 506 D C -0.815 175.339 176.300 -0.242 0.000 1.087 506 D CA -0.386 53.512 54.000 -0.170 0.000 0.851 506 D CB 1.978 42.656 40.800 -0.204 0.000 1.474 506 D HN -0.222 nan 8.370 nan 0.000 0.478 507 I N 2.696 123.081 120.570 -0.307 0.000 2.418 507 I HA 0.356 4.526 4.170 -0.000 0.000 0.287 507 I C -0.649 175.098 176.117 -0.617 0.000 1.008 507 I CA -0.797 60.214 61.300 -0.481 0.000 1.104 507 I CB 1.511 39.196 38.000 -0.524 0.000 1.264 507 I HN 0.123 nan 8.210 nan 0.000 0.438 508 V N 6.602 126.096 119.914 -0.699 0.000 2.417 508 V HA 0.407 4.527 4.120 -0.000 0.000 0.291 508 V C -0.361 175.444 176.094 -0.482 0.000 1.024 508 V CA -0.584 61.377 62.300 -0.564 0.000 0.861 508 V CB 1.653 33.123 31.823 -0.589 0.000 0.985 508 V HN 0.332 nan 8.190 nan 0.000 0.436 509 F N 4.708 124.628 119.950 -0.050 0.000 2.420 509 F HA 0.629 5.156 4.527 -0.000 0.000 0.352 509 F C 0.359 176.186 175.800 0.045 0.000 1.108 509 F CA -0.484 57.516 58.000 -0.000 0.000 1.162 509 F CB 1.501 40.499 39.000 -0.005 0.000 1.118 509 F HN 0.379 nan 8.300 nan 0.000 0.510 510 V N -0.668 119.397 119.914 0.252 0.000 3.040 510 V HA 0.509 4.629 4.120 -0.000 0.000 0.312 510 V C -0.032 176.146 176.094 0.140 0.000 1.115 510 V CA -0.883 61.526 62.300 0.181 0.000 0.998 510 V CB 2.159 34.094 31.823 0.186 0.000 1.042 510 V HN 0.607 nan 8.190 nan 0.000 0.433 511 D N 0.684 121.142 120.400 0.098 0.000 2.323 511 D HA 0.175 4.815 4.640 -0.000 0.000 0.209 511 D C -0.017 176.319 176.300 0.061 0.000 0.973 511 D CA 1.356 55.400 54.000 0.073 0.000 0.874 511 D CB 0.498 41.330 40.800 0.054 0.000 0.930 511 D HN 0.802 nan 8.370 nan 0.000 0.521 512 D N -0.939 119.495 120.400 0.056 0.000 2.685 512 D HA 0.221 4.861 4.640 -0.000 0.000 0.236 512 D C -1.271 175.039 176.300 0.017 0.000 1.233 512 D CA -0.529 53.491 54.000 0.034 0.000 0.760 512 D CB 1.203 42.013 40.800 0.018 0.000 1.410 512 D HN -0.207 nan 8.370 nan 0.000 0.439 513 L N 2.182 123.406 121.223 0.001 0.000 2.357 513 L HA 0.555 4.895 4.340 -0.000 0.000 0.273 513 L C -1.852 174.974 176.870 -0.075 0.000 1.080 513 L CA -1.662 53.152 54.840 -0.043 0.000 0.803 513 L CB 1.450 43.494 42.059 -0.025 0.000 1.174 513 L HN 0.246 nan 8.230 nan 0.000 0.443 514 P HA 0.257 nan 4.420 nan 0.000 0.281 514 P C -1.448 175.781 177.300 -0.118 0.000 1.252 514 P CA -0.373 62.641 63.100 -0.144 0.000 0.778 514 P CB 0.865 32.425 31.700 -0.233 0.000 0.895 515 K N 0.820 121.174 120.400 -0.078 0.000 2.469 515 K HA 0.420 4.740 4.320 -0.000 0.000 0.254 515 K C 0.298 176.877 176.600 -0.034 0.000 0.939 515 K CA -0.752 55.506 56.287 -0.048 0.000 0.812 515 K CB 1.786 34.270 32.500 -0.028 0.000 1.301 515 K HN 0.429 nan 8.250 nan 0.000 0.433 516 T N -1.414 113.125 114.554 -0.024 0.000 2.795 516 T HA 0.064 4.414 4.350 -0.000 0.000 0.314 516 T C 1.452 176.143 174.700 -0.016 0.000 1.069 516 T CA 0.144 62.232 62.100 -0.020 0.000 1.071 516 T CB 0.912 69.753 68.868 -0.044 0.000 0.988 516 T HN 0.650 nan 8.240 nan 0.000 0.543 517 A N 1.423 124.251 122.820 0.015 0.000 1.986 517 A HA -0.101 4.219 4.320 -0.000 0.000 0.220 517 A C 2.550 180.162 177.584 0.047 0.000 1.171 517 A CA 2.304 54.387 52.037 0.077 0.000 0.640 517 A CB -1.763 17.349 19.000 0.188 0.000 0.811 517 A HN 1.182 nan 8.150 nan 0.000 0.451 518 T N -4.315 110.197 114.554 -0.069 0.000 3.118 518 T HA 0.356 4.706 4.350 -0.000 0.000 0.260 518 T C 1.397 176.011 174.700 -0.144 0.000 1.139 518 T CA 1.136 63.073 62.100 -0.272 0.000 1.085 518 T CB -0.144 68.160 68.868 -0.939 0.000 0.934 518 T HN 1.792 nan 8.240 nan 0.000 0.518 519 G N 1.054 109.812 108.800 -0.070 0.000 2.141 519 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.231 519 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.231 519 G C -0.155 174.733 174.900 -0.020 0.000 0.984 519 G CA -0.176 44.912 45.100 -0.019 0.000 0.660 519 G HN 0.643 nan 8.290 nan 0.000 0.525 520 K N 0.209 120.577 120.400 -0.052 0.000 2.234 520 K HA 0.552 4.872 4.320 -0.000 0.000 0.282 520 K C 0.733 177.327 176.600 -0.010 0.000 1.039 520 K CA -0.656 55.616 56.287 -0.025 0.000 0.928 520 K CB 1.285 33.761 32.500 -0.041 0.000 1.039 520 K HN 0.276 nan 8.250 nan 0.000 0.470 521 I N 3.206 123.779 120.570 0.004 0.000 2.533 521 I HA -0.074 4.096 4.170 -0.000 0.000 0.284 521 I C 0.513 176.621 176.117 -0.015 0.000 1.109 521 I CA 0.209 61.499 61.300 -0.016 0.000 1.412 521 I CB 0.455 38.449 38.000 -0.009 0.000 1.396 521 I HN 0.383 nan 8.210 nan 0.000 0.543 522 Q N 6.654 126.410 119.800 -0.073 0.000 2.844 522 Q HA 0.185 4.525 4.340 -0.000 0.000 0.235 522 Q C 0.904 176.769 176.000 -0.225 0.000 1.336 522 Q CA -0.182 55.559 55.803 -0.103 0.000 1.026 522 Q CB 0.343 28.910 28.738 -0.285 0.000 1.513 522 Q HN 0.491 nan 8.270 nan 0.000 0.577 523 R N 0.584 121.046 120.500 -0.065 0.000 2.127 523 R HA -0.182 4.158 4.340 -0.000 0.000 0.238 523 R C 1.812 178.059 176.300 -0.088 0.000 1.134 523 R CA 1.637 57.687 56.100 -0.082 0.000 0.975 523 R CB -0.335 29.966 30.300 0.002 0.000 0.865 523 R HN 0.605 nan 8.270 nan 0.000 0.447 524 F N 1.249 121.152 119.950 -0.079 0.000 2.161 524 F HA -0.117 4.410 4.527 -0.000 0.000 0.300 524 F C 1.668 177.410 175.800 -0.097 0.000 1.089 524 F CA 1.036 58.991 58.000 -0.076 0.000 1.282 524 F CB -0.304 38.657 39.000 -0.066 0.000 1.010 524 F HN -0.244 nan 8.300 nan 0.000 0.485 525 K N 1.035 120.786 120.400 -1.082 0.000 2.147 525 K HA -0.071 4.249 4.320 -0.000 0.000 0.205 525 K C 2.081 178.409 176.600 -0.454 0.000 1.049 525 K CA 1.686 57.499 56.287 -0.790 0.000 0.936 525 K CB -0.442 31.563 32.500 -0.824 0.000 0.722 525 K HN 0.427 nan 8.250 nan 0.000 0.446 526 L N 0.240 121.185 121.223 -0.463 0.000 2.240 526 L HA -0.059 4.281 4.340 -0.000 0.000 0.211 526 L C 2.253 178.980 176.870 -0.238 0.000 1.106 526 L CA 0.715 55.225 54.840 -0.551 0.000 0.793 526 L CB -0.207 41.356 42.059 -0.827 0.000 0.927 526 L HN 0.083 nan 8.230 nan 0.000 0.446 527 R N -0.131 120.291 120.500 -0.130 0.000 2.236 527 R HA 0.038 4.378 4.340 -0.000 0.000 0.208 527 R C 0.298 176.574 176.300 -0.039 0.000 1.036 527 R CA 0.519 56.601 56.100 -0.029 0.000 1.001 527 R CB 0.161 30.464 30.300 0.005 0.000 0.896 527 R HN 0.459 nan 8.270 nan 0.000 0.464 528 E N 0.000 120.156 120.200 -0.072 0.000 2.725 528 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 528 E CA 0.000 56.368 56.400 -0.053 0.000 0.976 528 E CB 0.000 29.688 29.700 -0.020 0.000 0.812 528 E HN 0.000 nan 8.360 nan 0.000 0.440