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 2fut_1_B DATA FIRST_RESID 30 DATA SEQUENCE DVVWKDVDGV SXPIPPKTHP RLYLREQQVP DLKNRXNDPK LKKVWADXIK DATA SEQUENCE XQEDWKPADI PEVKDFRFYF NQKGLTVRVE LXALNYLXTK DPKVGREAIT DATA SEQUENCE SIIDTLETAT FKPAGDISRG IGLFXVTGAI VYDWCYDQLK PEEKTRFVKA DATA SEQUENCE FVRLAKXLEC GYPPVKDKSI VGHASEWXIX RDLLSVGIAI YDEFPEXYNL DATA SEQUENCE AAGRFFKEHL VARNWFYPSH NYHQGXSYLN VRFTNDLFAL WILDRXGAGN DATA SEQUENCE VFNPGQQFIL YDAIYKRRPD GQILAGGDVD YSRKKPKYYT XPALLAGSYY DATA SEQUENCE KDEYLNYEFL KDPNVEPHCK LFEFLWRDTQ LGSRKPDDLP LSRYSGSPFG DATA SEQUENCE WXIARTGWGP ESVIAEXKVN EYSFLNHQHQ DAGAFQIYYK GPLAIDAGSY DATA SEQUENCE TGSSGGYNSP HNKNFFKRTI AHNSLLIYDP KETFSSSGYG GSDHTDFAAN DATA SEQUENCE DGGQRLPGKG WIAPRDLKEX LAGDFRTGKI LAQGFGPDNQ TPDYTYLKGD DATA SEQUENCE ITAAYSAKVK EVKRSFLFLN LKDAKVPAAX IVFDKVVASN PDFKKFWLLH DATA SEQUENCE SIEQPEIKGN QITIKRTKNG DSGXLVNTAL LPDAANSNIT SIGGKGKDFW DATA SEQUENCE VFGTNYTNDP KPGTDEALER GEWRVEITPK KAAAEDYYLN VIQIADNTQQ DATA SEQUENCE KLHEVKRIDG DKVVGVQLAD RIVTFSKTSE TVDRPFGFSV VGKGTFKFVX DATA SEQUENCE TDLLPGTWQV LKDGKILYPA LSAKGDDGAL YFEGTEGTYR FLR 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 30 D HA 0.000 nan 4.640 nan 0.000 0.175 30 D C 0.000 176.303 176.300 0.006 0.000 2.045 30 D CA 0.000 54.015 54.000 0.024 0.000 0.868 30 D CB 0.000 40.804 40.800 0.007 0.000 0.688 31 V N 0.215 120.138 119.914 0.014 0.000 2.743 31 V HA 0.768 4.888 4.120 -0.001 0.000 0.301 31 V C 0.264 176.349 176.094 -0.015 0.000 1.057 31 V CA -0.712 61.551 62.300 -0.062 0.000 1.006 31 V CB 2.035 33.762 31.823 -0.159 0.000 1.024 31 V HN -0.054 nan 8.190 nan 0.000 0.473 32 V N 3.549 123.407 119.914 -0.093 0.000 2.465 32 V HA 0.328 4.447 4.120 -0.001 0.000 0.279 32 V C -0.581 175.450 176.094 -0.105 0.000 1.045 32 V CA -0.210 62.077 62.300 -0.021 0.000 0.938 32 V CB 1.109 32.914 31.823 -0.031 0.000 0.986 32 V HN 0.961 nan 8.190 nan 0.000 0.467 33 W N 4.782 126.046 121.300 -0.060 0.000 2.335 33 W HA 0.541 5.201 4.660 -0.001 0.000 0.307 33 W C 0.347 176.828 176.519 -0.063 0.000 1.117 33 W CA -0.431 56.870 57.345 -0.074 0.000 1.228 33 W CB 0.849 30.271 29.460 -0.065 0.000 1.240 33 W HN 0.243 nan 8.180 nan 0.000 0.468 34 K N 2.649 123.097 120.400 0.079 0.000 2.345 34 K HA 0.184 4.504 4.320 -0.001 0.000 0.255 34 K C -1.039 175.585 176.600 0.040 0.000 0.934 34 K CA -0.808 55.508 56.287 0.048 0.000 0.801 34 K CB 1.769 34.272 32.500 0.006 0.000 1.137 34 K HN 0.331 nan 8.250 nan 0.000 0.424 35 D N 1.523 121.949 120.400 0.044 0.000 2.450 35 D HA 0.080 4.719 4.640 -0.001 0.000 0.247 35 D C -0.663 175.643 176.300 0.010 0.000 1.162 35 D CA 0.301 54.318 54.000 0.030 0.000 0.879 35 D CB 0.729 41.544 40.800 0.025 0.000 1.163 35 D HN 0.007 nan 8.370 nan 0.000 0.472 36 V N 3.790 123.705 119.914 0.001 0.000 2.409 36 V HA 0.126 4.246 4.120 -0.001 0.000 0.290 36 V C -0.375 175.720 176.094 0.001 0.000 1.017 36 V CA -0.765 61.533 62.300 -0.003 0.000 0.841 36 V CB 1.664 33.479 31.823 -0.013 0.000 1.003 36 V HN 0.588 nan 8.190 nan 0.000 0.426 37 D N 4.289 124.690 120.400 0.001 0.000 2.911 37 D HA -0.195 4.445 4.640 -0.001 0.000 0.227 37 D C 1.309 177.609 176.300 0.000 0.000 1.164 37 D CA 2.039 56.039 54.000 -0.000 0.000 0.782 37 D CB -1.265 39.534 40.800 -0.002 0.000 1.094 37 D HN 1.359 nan 8.370 nan 0.000 0.425 38 G N -2.726 106.076 108.800 0.003 0.000 2.254 38 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.225 38 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.225 38 G C 0.238 175.144 174.900 0.011 0.000 1.003 38 G CA -0.006 45.096 45.100 0.003 0.000 0.622 38 G HN 0.668 nan 8.290 nan 0.000 0.507 39 V N 2.108 122.033 119.914 0.018 0.000 2.370 39 V HA 0.699 4.819 4.120 -0.001 0.000 0.279 39 V C 1.056 177.172 176.094 0.038 0.000 1.029 39 V CA 0.250 62.573 62.300 0.038 0.000 0.870 39 V CB 1.328 33.184 31.823 0.055 0.000 0.984 39 V HN 0.497 nan 8.190 nan 0.000 0.451 43 I N 3.304 123.549 120.570 -0.542 0.000 2.416 43 I HA 0.267 4.437 4.170 -0.001 0.000 0.288 43 I C -1.971 173.768 176.117 -0.629 0.000 1.051 43 I CA -1.891 59.095 61.300 -0.524 0.000 1.375 43 I CB 0.727 38.548 38.000 -0.299 0.000 1.407 43 I HN 0.116 nan 8.210 nan 0.000 0.516 44 P HA 0.033 nan 4.420 nan 0.000 0.264 44 P C -2.317 174.702 177.300 -0.468 0.000 1.183 44 P CA -0.634 62.007 63.100 -0.765 0.000 0.763 44 P CB -0.299 30.760 31.700 -1.069 0.000 0.807 45 P HA 0.077 nan 4.420 nan 0.000 0.272 45 P C -0.359 176.812 177.300 -0.215 0.000 1.230 45 P CA -0.054 62.916 63.100 -0.217 0.000 0.788 45 P CB 0.728 32.328 31.700 -0.168 0.000 0.949 46 K N 1.528 121.842 120.400 -0.143 0.000 2.502 46 K HA 0.265 4.584 4.320 -0.001 0.000 0.244 46 K C -0.323 176.199 176.600 -0.129 0.000 1.249 46 K CA 0.232 56.447 56.287 -0.119 0.000 1.193 46 K CB -0.376 32.096 32.500 -0.047 0.000 1.674 46 K HN 0.519 nan 8.250 nan 0.000 0.302 47 T N -0.356 114.051 114.554 -0.245 0.000 2.802 47 T HA 0.330 4.680 4.350 -0.001 0.000 0.311 47 T C -1.081 173.367 174.700 -0.419 0.000 1.405 47 T CA -0.845 61.141 62.100 -0.189 0.000 1.016 47 T CB 1.790 70.595 68.868 -0.104 0.000 1.352 47 T HN 0.308 nan 8.240 nan 0.000 0.498 48 H N 0.897 119.935 119.070 -0.053 0.000 2.806 48 H HA 0.464 5.019 4.556 -0.001 0.000 0.367 48 H C -2.573 172.777 175.328 0.036 0.000 1.136 48 H CA -1.435 54.605 56.048 -0.013 0.000 1.178 48 H CB 2.386 32.130 29.762 -0.030 0.000 1.718 48 H HN 0.372 nan 8.280 nan 0.000 0.540 49 P HA 0.237 nan 4.420 nan 0.000 0.277 49 P C 0.110 177.457 177.300 0.078 0.000 1.240 49 P CA -0.600 62.611 63.100 0.186 0.000 0.798 49 P CB 1.643 33.400 31.700 0.094 0.000 0.979 50 R N 0.285 120.836 120.500 0.085 0.000 2.539 50 R HA 0.363 4.702 4.340 -0.001 0.000 0.342 50 R C -0.315 176.034 176.300 0.081 0.000 0.941 50 R CA -0.445 55.664 56.100 0.016 0.000 1.146 50 R CB -0.151 30.066 30.300 -0.139 0.000 1.541 50 R HN 0.213 nan 8.270 nan 0.000 0.525 51 L N 1.647 122.966 121.223 0.159 0.000 2.276 51 L HA 0.340 4.679 4.340 -0.001 0.000 0.286 51 L C -0.428 176.567 176.870 0.209 0.000 1.024 51 L CA -0.031 54.812 54.840 0.005 0.000 0.826 51 L CB -0.084 41.847 42.059 -0.214 0.000 1.211 51 L HN 0.411 nan 8.230 nan 0.000 0.422 52 Y N 3.049 123.706 120.300 0.596 0.000 4.545 52 Y HA -0.344 4.206 4.550 -0.001 0.000 0.306 52 Y C -0.160 176.171 175.900 0.718 0.000 1.060 52 Y CA 0.648 59.252 58.100 0.840 0.000 1.834 52 Y CB -1.439 37.513 38.460 0.820 0.000 1.008 52 Y HN 0.500 nan 8.280 nan 0.000 0.436 53 L N -3.219 118.339 121.223 0.559 0.000 2.940 53 L HA 0.840 5.180 4.340 -0.001 0.000 0.270 53 L C -0.698 176.280 176.870 0.180 0.000 1.030 53 L CA -1.842 53.197 54.840 0.332 0.000 0.928 53 L CB 0.952 43.149 42.059 0.231 0.000 1.506 53 L HN -0.102 nan 8.230 nan 0.000 0.405 54 R N -0.164 120.396 120.500 0.101 0.000 2.960 54 R HA 0.440 4.779 4.340 -0.001 0.000 0.249 54 R C 0.362 176.664 176.300 0.003 0.000 1.192 54 R CA -0.906 55.219 56.100 0.041 0.000 1.035 54 R CB 1.296 31.613 30.300 0.029 0.000 1.234 54 R HN 0.897 nan 8.270 nan 0.000 0.493 55 E N 1.054 121.247 120.200 -0.012 0.000 2.204 55 E HA -0.180 4.170 4.350 -0.001 0.000 0.195 55 E C 1.234 177.816 176.600 -0.030 0.000 0.990 55 E CA 1.621 58.003 56.400 -0.030 0.000 0.821 55 E CB 0.204 29.891 29.700 -0.021 0.000 0.750 55 E HN 0.377 nan 8.360 nan 0.000 0.477 56 Q N -0.484 119.306 119.800 -0.015 0.000 2.291 56 Q HA -0.096 4.244 4.340 -0.001 0.000 0.205 56 Q C 1.786 177.777 176.000 -0.015 0.000 0.970 56 Q CA 1.225 57.019 55.803 -0.014 0.000 0.876 56 Q CB 0.006 28.740 28.738 -0.007 0.000 0.935 56 Q HN 0.278 nan 8.270 nan 0.000 0.455 57 Q N -0.887 118.909 119.800 -0.006 0.000 2.331 57 Q HA 0.022 4.361 4.340 -0.001 0.000 0.203 57 Q C 1.868 177.847 176.000 -0.035 0.000 0.944 57 Q CA 0.393 56.195 55.803 -0.001 0.000 0.892 57 Q CB 0.259 29.025 28.738 0.046 0.000 0.983 57 Q HN 0.176 nan 8.270 nan 0.000 0.482 58 V N 1.554 121.432 119.914 -0.061 0.000 2.287 58 V HA -0.222 3.897 4.120 -0.001 0.000 0.248 58 V C -0.930 175.116 176.094 -0.080 0.000 1.053 58 V CA 2.061 64.304 62.300 -0.096 0.000 1.027 58 V CB -1.424 30.326 31.823 -0.121 0.000 0.646 58 V HN 0.290 nan 8.190 nan 0.000 0.447 59 P HA -0.132 nan 4.420 nan 0.000 0.220 59 P C 1.212 178.477 177.300 -0.058 0.000 1.148 59 P CA 1.484 64.549 63.100 -0.059 0.000 0.803 59 P CB -0.025 31.646 31.700 -0.049 0.000 0.782 60 D N -0.936 119.431 120.400 -0.056 0.000 2.269 60 D HA -0.080 4.559 4.640 -0.001 0.000 0.208 60 D C 1.731 177.980 176.300 -0.085 0.000 0.963 60 D CA 0.579 54.541 54.000 -0.063 0.000 0.864 60 D CB -0.652 40.117 40.800 -0.053 0.000 0.936 60 D HN 0.052 nan 8.370 nan 0.000 0.505 61 L N -0.311 120.864 121.223 -0.080 0.000 2.187 61 L HA -0.163 4.177 4.340 -0.001 0.000 0.213 61 L C 2.098 178.941 176.870 -0.044 0.000 1.100 61 L CA 0.972 55.769 54.840 -0.070 0.000 0.765 61 L CB -0.226 41.820 42.059 -0.022 0.000 0.904 61 L HN -0.042 nan 8.230 nan 0.000 0.437 62 K N 0.241 120.605 120.400 -0.059 0.000 2.103 62 K HA -0.075 4.244 4.320 -0.001 0.000 0.204 62 K C 1.705 178.261 176.600 -0.075 0.000 1.052 62 K CA 1.218 57.465 56.287 -0.067 0.000 0.945 62 K CB -0.341 32.119 32.500 -0.067 0.000 0.722 62 K HN 0.354 nan 8.250 nan 0.000 0.443 63 N N 0.074 118.729 118.700 -0.075 0.000 2.244 63 N HA -0.061 4.679 4.740 -0.001 0.000 0.183 63 N C 0.504 175.959 175.510 -0.091 0.000 1.016 63 N CA 0.429 53.434 53.050 -0.075 0.000 0.866 63 N CB 0.090 38.537 38.487 -0.068 0.000 0.980 63 N HN 0.041 nan 8.380 nan 0.000 0.430 67 D N 2.926 123.304 120.400 -0.036 0.000 2.325 67 D HA 0.199 4.839 4.640 -0.001 0.000 0.251 67 D C -1.091 175.212 176.300 0.005 0.000 1.196 67 D CA -1.670 52.317 54.000 -0.023 0.000 0.866 67 D CB 1.700 42.476 40.800 -0.040 0.000 1.101 67 D HN 0.001 nan 8.370 nan 0.000 0.476 68 P HA -0.187 nan 4.420 nan 0.000 0.216 68 P C 0.887 178.209 177.300 0.037 0.000 1.150 68 P CA 1.169 64.281 63.100 0.020 0.000 0.837 68 P CB 0.302 32.008 31.700 0.010 0.000 0.786 69 K N -0.464 119.955 120.400 0.032 0.000 2.152 69 K HA -0.054 4.265 4.320 -0.001 0.000 0.206 69 K C 2.009 178.653 176.600 0.074 0.000 1.048 69 K CA 1.038 57.352 56.287 0.046 0.000 0.933 69 K CB -0.395 32.129 32.500 0.039 0.000 0.721 69 K HN 0.205 nan 8.250 nan 0.000 0.447 70 L N 0.178 121.448 121.223 0.079 0.000 2.607 70 L HA 0.048 4.387 4.340 -0.001 0.000 0.228 70 L C 2.037 179.048 176.870 0.235 0.000 1.123 70 L CA 0.003 54.932 54.840 0.148 0.000 0.890 70 L CB 0.085 42.190 42.059 0.077 0.000 1.103 70 L HN -0.022 nan 8.230 nan 0.000 0.468 71 K N 0.893 121.387 120.400 0.156 0.000 2.103 71 K HA -0.154 4.166 4.320 -0.001 0.000 0.204 71 K C 1.997 178.716 176.600 0.198 0.000 1.052 71 K CA 1.060 57.449 56.287 0.170 0.000 0.945 71 K CB 0.145 32.699 32.500 0.090 0.000 0.722 71 K HN 0.197 nan 8.250 nan 0.000 0.443 72 K N 0.871 121.352 120.400 0.135 0.000 2.057 72 K HA -0.107 4.213 4.320 -0.001 0.000 0.207 72 K C 2.010 178.670 176.600 0.101 0.000 1.049 72 K CA 1.015 57.361 56.287 0.097 0.000 0.931 72 K CB -0.101 32.434 32.500 0.058 0.000 0.714 72 K HN -0.037 nan 8.250 nan 0.000 0.440 73 V N -0.020 119.978 119.914 0.140 0.000 2.427 73 V HA -0.193 3.927 4.120 -0.001 0.000 0.248 73 V C 1.662 177.821 176.094 0.109 0.000 1.051 73 V CA 1.705 64.079 62.300 0.123 0.000 1.048 73 V CB -0.391 31.530 31.823 0.163 0.000 0.666 73 V HN 0.578 nan 8.190 nan 0.000 0.456 74 W N 0.756 122.046 121.300 -0.018 0.000 2.388 74 W HA -0.013 4.646 4.660 -0.001 0.000 0.294 74 W C 2.402 178.854 176.519 -0.110 0.000 1.212 74 W CA 2.134 59.391 57.345 -0.146 0.000 1.271 74 W CB -0.365 28.992 29.460 -0.171 0.000 1.126 74 W HN 0.292 nan 8.180 nan 0.000 0.535 75 A N -0.017 122.882 122.820 0.132 0.000 1.972 75 A HA -0.118 4.201 4.320 -0.001 0.000 0.219 75 A C 1.139 178.653 177.584 -0.116 0.000 1.169 75 A CA 1.507 53.544 52.037 0.001 0.000 0.635 75 A CB -0.818 18.227 19.000 0.076 0.000 0.810 75 A HN 0.144 nan 8.150 nan 0.000 0.446 82 E N 2.622 122.744 120.200 -0.131 0.000 2.415 82 E HA -0.028 4.321 4.350 -0.001 0.000 0.263 82 E C -0.673 175.854 176.600 -0.121 0.000 0.995 82 E CA -0.024 56.309 56.400 -0.112 0.000 0.915 82 E CB 0.541 30.169 29.700 -0.120 0.000 0.951 82 E HN 0.014 nan 8.360 nan 0.000 0.449 83 D N 2.966 123.330 120.400 -0.060 0.000 2.354 83 D HA -0.069 4.570 4.640 -0.001 0.000 0.238 83 D C -0.346 175.944 176.300 -0.016 0.000 1.250 83 D CA 0.339 54.336 54.000 -0.005 0.000 0.911 83 D CB 0.295 41.127 40.800 0.053 0.000 1.163 83 D HN 0.391 nan 8.370 nan 0.000 0.456 84 W N 0.884 122.184 121.300 0.000 0.000 2.193 84 W HA 0.005 4.664 4.660 -0.001 0.000 0.338 84 W C 1.025 177.550 176.519 0.010 0.000 1.310 84 W CA -0.084 57.274 57.345 0.022 0.000 1.243 84 W CB 0.502 30.017 29.460 0.092 0.000 1.165 84 W HN -0.166 nan 8.180 nan 0.000 0.566 85 K N 4.832 125.393 120.400 0.268 0.000 2.368 85 K HA 0.063 4.383 4.320 -0.001 0.000 0.282 85 K C -1.565 175.139 176.600 0.173 0.000 1.035 85 K CA -1.449 54.935 56.287 0.162 0.000 0.973 85 K CB 0.385 32.946 32.500 0.101 0.000 0.957 85 K HN 0.154 nan 8.250 nan 0.000 0.474 86 P HA -0.153 nan 4.420 nan 0.000 0.219 86 P C 0.607 177.919 177.300 0.020 0.000 1.146 86 P CA 1.172 64.299 63.100 0.045 0.000 0.808 86 P CB 0.259 31.971 31.700 0.021 0.000 0.779 87 A N -1.224 121.617 122.820 0.035 0.000 2.251 87 A HA -0.001 4.319 4.320 -0.001 0.000 0.209 87 A C 1.175 178.777 177.584 0.031 0.000 1.187 87 A CA 0.906 52.953 52.037 0.017 0.000 0.823 87 A CB -0.637 18.373 19.000 0.016 0.000 0.846 87 A HN 0.037 nan 8.150 nan 0.000 0.486 88 D N -0.829 119.621 120.400 0.083 0.000 2.454 88 D HA 0.198 4.838 4.640 -0.001 0.000 0.214 88 D C 0.159 176.438 176.300 -0.036 0.000 1.088 88 D CA 0.004 54.085 54.000 0.135 0.000 0.855 88 D CB 0.170 41.199 40.800 0.381 0.000 1.025 88 D HN 0.404 nan 8.370 nan 0.000 0.502 89 I N 3.053 123.539 120.570 -0.140 0.000 2.578 89 I HA 0.107 4.276 4.170 -0.001 0.000 0.286 89 I C -1.833 174.024 176.117 -0.433 0.000 1.126 89 I CA -1.401 59.634 61.300 -0.442 0.000 1.380 89 I CB 0.209 37.988 38.000 -0.368 0.000 1.408 89 I HN -0.202 nan 8.210 nan 0.000 0.532 90 P HA 0.039 nan 4.420 nan 0.000 0.272 90 P C 0.459 177.520 177.300 -0.398 0.000 1.230 90 P CA -0.284 62.572 63.100 -0.406 0.000 0.788 90 P CB 0.812 32.261 31.700 -0.419 0.000 0.949 91 E N 0.685 120.724 120.200 -0.268 0.000 2.158 91 E HA -0.037 4.312 4.350 -0.001 0.000 0.191 91 E C 0.264 176.727 176.600 -0.228 0.000 0.982 91 E CA 0.394 56.659 56.400 -0.224 0.000 0.823 91 E CB -0.114 29.496 29.700 -0.150 0.000 0.766 91 E HN 0.169 nan 8.360 nan 0.000 0.468 92 V N 1.872 121.651 119.914 -0.225 0.000 2.348 92 V HA 0.240 4.359 4.120 -0.001 0.000 0.270 92 V C -0.687 175.233 176.094 -0.290 0.000 1.037 92 V CA -0.611 61.572 62.300 -0.195 0.000 0.872 92 V CB 0.732 32.483 31.823 -0.120 0.000 1.002 92 V HN 0.021 nan 8.190 nan 0.000 0.464 93 K N 5.528 125.744 120.400 -0.307 0.000 2.167 93 K HA 0.185 4.504 4.320 -0.001 0.000 0.275 93 K C -0.303 176.249 176.600 -0.080 0.000 1.103 93 K CA -0.083 55.956 56.287 -0.413 0.000 0.963 93 K CB 0.139 32.429 32.500 -0.350 0.000 1.243 93 K HN 0.767 nan 8.250 nan 0.000 0.407 94 D N 0.997 121.331 120.400 -0.109 0.000 2.383 94 D HA 0.014 4.653 4.640 -0.001 0.000 0.248 94 D C 1.001 177.360 176.300 0.099 0.000 1.170 94 D CA -0.644 53.350 54.000 -0.010 0.000 0.977 94 D CB 0.589 41.304 40.800 -0.143 0.000 1.120 94 D HN 0.332 nan 8.370 nan 0.000 0.481 95 F N 0.711 120.666 119.950 0.009 0.000 2.216 95 F HA 0.008 4.535 4.527 -0.001 0.000 0.300 95 F C 1.871 177.518 175.800 -0.255 0.000 1.085 95 F CA 0.898 58.801 58.000 -0.161 0.000 1.326 95 F CB -0.239 38.548 39.000 -0.355 0.000 1.027 95 F HN 0.179 nan 8.300 nan 0.000 0.497 96 R N -0.346 119.537 120.500 -1.028 0.000 2.092 96 R HA -0.118 4.221 4.340 -0.001 0.000 0.231 96 R C 2.128 178.332 176.300 -0.160 0.000 1.119 96 R CA 1.622 57.331 56.100 -0.650 0.000 0.970 96 R CB -0.869 29.077 30.300 -0.590 0.000 0.864 96 R HN 0.437 nan 8.270 nan 0.000 0.440 97 F N 0.615 120.373 119.950 -0.319 0.000 2.095 97 F HA -0.252 4.275 4.527 -0.001 0.000 0.298 97 F C 1.529 177.207 175.800 -0.203 0.000 1.104 97 F CA 1.434 59.221 58.000 -0.354 0.000 1.232 97 F CB -0.448 38.162 39.000 -0.651 0.000 0.987 97 F HN -0.050 nan 8.300 nan 0.000 0.475 98 Y N -1.615 118.562 120.300 -0.204 0.000 2.263 98 Y HA -0.154 4.395 4.550 -0.001 0.000 0.292 98 Y C 2.281 178.212 175.900 0.051 0.000 1.130 98 Y CA 0.947 58.937 58.100 -0.184 0.000 1.179 98 Y CB -0.619 37.806 38.460 -0.060 0.000 0.998 98 Y HN 0.006 nan 8.280 nan 0.000 0.532 99 F N -0.011 119.903 119.950 -0.061 0.000 2.259 99 F HA -0.101 4.426 4.527 -0.001 0.000 0.298 99 F C 1.365 177.189 175.800 0.040 0.000 1.088 99 F CA 0.584 58.494 58.000 -0.149 0.000 1.358 99 F CB -0.946 37.948 39.000 -0.176 0.000 1.040 99 F HN 0.007 nan 8.300 nan 0.000 0.505 100 N N 1.531 120.368 118.700 0.228 0.000 3.193 100 N HA -0.071 4.668 4.740 -0.001 0.000 0.312 100 N C -0.029 175.545 175.510 0.107 0.000 1.261 100 N CA 0.089 53.241 53.050 0.170 0.000 1.208 100 N CB -0.642 38.001 38.487 0.260 0.000 1.471 100 N HN 0.276 nan 8.380 nan 0.000 0.548 101 Q N 1.813 121.660 119.800 0.078 0.000 2.289 101 Q HA 0.055 4.395 4.340 -0.001 0.000 0.273 101 Q C -0.668 175.293 176.000 -0.064 0.000 1.029 101 Q CA 0.340 56.168 55.803 0.041 0.000 0.896 101 Q CB 0.434 29.219 28.738 0.077 0.000 1.182 101 Q HN 0.182 nan 8.270 nan 0.000 0.385 102 K N 2.001 122.359 120.400 -0.069 0.000 2.482 102 K HA 0.629 4.948 4.320 -0.001 0.000 0.257 102 K C -0.046 176.528 176.600 -0.043 0.000 0.969 102 K CA 0.066 56.247 56.287 -0.178 0.000 0.842 102 K CB 1.864 34.034 32.500 -0.550 0.000 1.359 102 K HN 0.881 nan 8.250 nan 0.000 0.441 103 G N 0.969 109.731 108.800 -0.064 0.000 2.496 103 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.243 103 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.243 103 G C 0.577 175.484 174.900 0.011 0.000 1.176 103 G CA 0.164 45.261 45.100 -0.005 0.000 0.940 103 G HN 0.494 nan 8.290 nan 0.000 0.573 104 L N 1.472 122.724 121.223 0.049 0.000 1.990 104 L HA -0.016 4.324 4.340 -0.001 0.000 0.213 104 L C 3.412 180.319 176.870 0.062 0.000 1.072 104 L CA 4.239 59.113 54.840 0.056 0.000 0.755 104 L CB -1.256 40.853 42.059 0.084 0.000 0.889 104 L HN 1.265 nan 8.230 nan 0.000 0.432 105 T N -3.952 110.664 114.554 0.104 0.000 2.788 105 T HA -0.146 4.203 4.350 -0.001 0.000 0.268 105 T C 1.858 176.575 174.700 0.029 0.000 1.044 105 T CA 1.433 63.594 62.100 0.102 0.000 1.139 105 T CB -1.165 67.818 68.868 0.192 0.000 0.867 105 T HN 0.190 nan 8.240 nan 0.000 0.454 106 V N 1.922 121.836 119.914 0.001 0.000 2.427 106 V HA -0.133 3.986 4.120 -0.001 0.000 0.248 106 V C 2.964 179.016 176.094 -0.070 0.000 1.051 106 V CA 1.694 63.960 62.300 -0.058 0.000 1.048 106 V CB -0.715 31.053 31.823 -0.091 0.000 0.666 106 V HN 0.467 nan 8.190 nan 0.000 0.456 107 R N 0.414 120.886 120.500 -0.046 0.000 2.092 107 R HA -0.107 4.232 4.340 -0.001 0.000 0.231 107 R C 2.347 178.638 176.300 -0.015 0.000 1.119 107 R CA 1.674 57.748 56.100 -0.042 0.000 0.970 107 R CB -0.645 29.638 30.300 -0.027 0.000 0.864 107 R HN 0.614 nan 8.270 nan 0.000 0.440 108 V N -0.966 118.949 119.914 0.003 0.000 2.719 108 V HA -0.079 4.040 4.120 -0.001 0.000 0.252 108 V C 1.585 177.691 176.094 0.020 0.000 1.065 108 V CA 1.358 63.670 62.300 0.020 0.000 1.086 108 V CB -0.191 31.648 31.823 0.028 0.000 0.700 108 V HN 0.175 nan 8.190 nan 0.000 0.467 109 E N 0.614 120.806 120.200 -0.013 0.000 2.072 109 E HA 0.069 4.418 4.350 -0.001 0.000 0.190 109 E C 1.127 177.750 176.600 0.039 0.000 0.982 109 E CA 0.730 57.110 56.400 -0.033 0.000 0.803 109 E CB -0.092 29.548 29.700 -0.100 0.000 0.755 109 E HN 0.591 nan 8.360 nan 0.000 0.453 113 L N 0.892 122.413 121.223 0.497 0.000 2.083 113 L HA -0.174 4.165 4.340 -0.001 0.000 0.209 113 L C 2.095 179.091 176.870 0.210 0.000 1.083 113 L CA 2.611 57.692 54.840 0.402 0.000 0.752 113 L CB -0.293 41.967 42.059 0.335 0.000 0.899 113 L HN 0.714 nan 8.230 nan 0.000 0.433 114 N N -1.112 117.715 118.700 0.213 0.000 2.142 114 N HA -0.300 4.440 4.740 -0.001 0.000 0.186 114 N C 1.933 177.525 175.510 0.137 0.000 1.023 114 N CA 1.420 54.563 53.050 0.156 0.000 0.852 114 N CB -0.336 38.247 38.487 0.160 0.000 0.998 114 N HN 0.340 nan 8.380 nan 0.000 0.424 115 Y N 1.105 121.461 120.300 0.094 0.000 2.181 115 Y HA -0.005 4.544 4.550 -0.001 0.000 0.288 115 Y C 1.023 176.949 175.900 0.043 0.000 1.146 115 Y CA 0.893 59.035 58.100 0.071 0.000 1.164 115 Y CB -0.355 38.159 38.460 0.090 0.000 0.982 115 Y HN 0.075 nan 8.280 nan 0.000 0.515 119 K N 1.302 121.455 120.400 -0.412 0.000 3.274 119 K HA -0.172 4.148 4.320 -0.001 0.000 0.300 119 K C -0.432 176.083 176.600 -0.140 0.000 1.230 119 K CA 1.177 57.103 56.287 -0.602 0.000 0.884 119 K CB -2.085 30.200 32.500 -0.359 0.000 1.242 119 K HN 0.751 nan 8.250 nan 0.000 0.467 120 D N 1.184 121.602 120.400 0.029 0.000 2.346 120 D HA 0.126 4.765 4.640 -0.001 0.000 0.260 120 D C -1.268 175.221 176.300 0.315 0.000 1.252 120 D CA -1.976 52.114 54.000 0.149 0.000 0.895 120 D CB 1.059 41.918 40.800 0.098 0.000 1.097 120 D HN -0.067 nan 8.370 nan 0.000 0.489 121 P HA -0.230 nan 4.420 nan 0.000 0.216 121 P C 1.004 178.329 177.300 0.041 0.000 1.154 121 P CA 1.927 65.127 63.100 0.167 0.000 0.865 121 P CB -0.006 31.746 31.700 0.086 0.000 0.789 122 K N -0.842 119.590 120.400 0.053 0.000 2.209 122 K HA -0.059 4.260 4.320 -0.001 0.000 0.204 122 K C 1.706 178.319 176.600 0.022 0.000 1.048 122 K CA 1.265 57.564 56.287 0.020 0.000 0.940 122 K CB -1.149 31.366 32.500 0.024 0.000 0.729 122 K HN -0.012 nan 8.250 nan 0.000 0.451 123 V N 2.009 121.971 119.914 0.079 0.000 2.270 123 V HA -0.150 3.969 4.120 -0.001 0.000 0.245 123 V C 2.654 178.754 176.094 0.009 0.000 1.043 123 V CA 2.141 64.501 62.300 0.099 0.000 1.014 123 V CB -1.054 30.889 31.823 0.200 0.000 0.645 123 V HN 0.661 nan 8.190 nan 0.000 0.447 124 G N -0.068 108.627 108.800 -0.174 0.000 2.475 124 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.220 124 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.220 124 G C 1.723 176.425 174.900 -0.329 0.000 1.125 124 G CA 0.597 45.308 45.100 -0.648 0.000 0.755 124 G HN 0.305 nan 8.290 nan 0.000 0.565 125 R N 0.237 120.617 120.500 -0.201 0.000 2.073 125 R HA 0.036 4.375 4.340 -0.001 0.000 0.229 125 R C 2.324 178.587 176.300 -0.061 0.000 1.120 125 R CA 1.175 57.204 56.100 -0.119 0.000 0.967 125 R CB -0.884 29.368 30.300 -0.081 0.000 0.862 125 R HN 0.596 nan 8.270 nan 0.000 0.436 126 E N 0.494 120.673 120.200 -0.035 0.000 2.051 126 E HA -0.141 4.209 4.350 -0.001 0.000 0.192 126 E C 1.858 178.460 176.600 0.003 0.000 0.991 126 E CA 1.209 57.605 56.400 -0.007 0.000 0.799 126 E CB -0.004 29.702 29.700 0.009 0.000 0.748 126 E HN 0.279 nan 8.360 nan 0.000 0.449 127 A N 1.037 123.859 122.820 0.004 0.000 1.883 127 A HA -0.213 4.107 4.320 -0.001 0.000 0.217 127 A C 2.176 179.787 177.584 0.045 0.000 1.186 127 A CA 1.593 53.647 52.037 0.027 0.000 0.624 127 A CB -0.741 18.283 19.000 0.041 0.000 0.822 127 A HN 0.339 nan 8.150 nan 0.000 0.444 128 I N -0.498 120.084 120.570 0.020 0.000 2.163 128 I HA -0.245 3.924 4.170 -0.001 0.000 0.243 128 I C 2.601 178.779 176.117 0.102 0.000 1.085 128 I CA 1.904 63.260 61.300 0.093 0.000 1.347 128 I CB -0.564 37.432 38.000 -0.007 0.000 1.044 128 I HN 0.288 nan 8.210 nan 0.000 0.408 129 T N -0.361 114.212 114.554 0.032 0.000 2.821 129 T HA -0.127 4.223 4.350 -0.001 0.000 0.267 129 T C 2.092 176.794 174.700 0.003 0.000 1.046 129 T CA 1.520 63.626 62.100 0.011 0.000 1.139 129 T CB -0.153 68.713 68.868 -0.005 0.000 0.871 129 T HN 0.247 nan 8.240 nan 0.000 0.454 130 S N 0.797 116.505 115.700 0.013 0.000 2.382 130 S HA -0.010 4.459 4.470 -0.001 0.000 0.228 130 S C 1.921 176.525 174.600 0.005 0.000 1.027 130 S CA 0.762 58.968 58.200 0.011 0.000 0.991 130 S CB -0.229 62.983 63.200 0.020 0.000 0.823 130 S HN 0.336 nan 8.310 nan 0.000 0.469 131 I N 0.744 121.315 120.570 0.001 0.000 2.731 131 I HA 0.211 4.380 4.170 -0.001 0.000 0.260 131 I C 1.767 177.782 176.117 -0.170 0.000 1.138 131 I CA 0.226 61.498 61.300 -0.046 0.000 1.461 131 I CB -0.234 37.750 38.000 -0.027 0.000 1.128 131 I HN 0.200 nan 8.210 nan 0.000 0.438 132 I N 0.626 121.063 120.570 -0.221 0.000 2.185 132 I HA -0.409 3.760 4.170 -0.001 0.000 0.246 132 I C 1.902 177.836 176.117 -0.305 0.000 1.088 132 I CA 2.036 63.070 61.300 -0.443 0.000 1.347 132 I CB -0.212 37.627 38.000 -0.267 0.000 1.041 132 I HN 0.321 nan 8.210 nan 0.000 0.415 133 D N -0.544 119.762 120.400 -0.156 0.000 2.091 133 D HA -0.187 4.453 4.640 -0.001 0.000 0.199 133 D C 2.058 178.317 176.300 -0.067 0.000 0.980 133 D CA 1.989 55.927 54.000 -0.103 0.000 0.831 133 D CB -0.411 40.352 40.800 -0.061 0.000 0.987 133 D HN 0.345 nan 8.370 nan 0.000 0.460 134 T N 0.751 115.296 114.554 -0.015 0.000 2.881 134 T HA -0.155 4.195 4.350 -0.001 0.000 0.270 134 T C 2.029 176.851 174.700 0.204 0.000 1.068 134 T CA 0.648 62.796 62.100 0.080 0.000 1.131 134 T CB -0.218 68.734 68.868 0.141 0.000 0.871 134 T HN -0.041 nan 8.240 nan 0.000 0.479 135 L N 1.503 122.761 121.223 0.058 0.000 2.056 135 L HA 0.044 4.384 4.340 -0.001 0.000 0.207 135 L C 2.450 179.303 176.870 -0.029 0.000 1.078 135 L CA 2.317 57.144 54.840 -0.022 0.000 0.749 135 L CB -0.505 41.267 42.059 -0.477 0.000 0.901 135 L HN 0.565 nan 8.230 nan 0.000 0.433 136 E N -2.182 117.937 120.200 -0.135 0.000 2.435 136 E HA -0.077 4.273 4.350 -0.001 0.000 0.195 136 E C 1.092 177.661 176.600 -0.052 0.000 1.029 136 E CA 1.031 57.355 56.400 -0.127 0.000 0.865 136 E CB -0.274 29.320 29.700 -0.177 0.000 0.833 136 E HN 0.552 nan 8.360 nan 0.000 0.510 137 T N -2.334 112.204 114.554 -0.025 0.000 3.043 137 T HA 0.500 4.849 4.350 -0.001 0.000 0.272 137 T C 0.656 175.326 174.700 -0.049 0.000 0.990 137 T CA -0.099 61.981 62.100 -0.034 0.000 0.897 137 T CB 0.601 69.441 68.868 -0.047 0.000 1.111 137 T HN 0.257 nan 8.240 nan 0.000 0.529 138 A N 1.897 124.701 122.820 -0.027 0.000 2.477 138 A HA 0.561 4.881 4.320 -0.001 0.000 0.246 138 A C 0.355 177.809 177.584 -0.216 0.000 1.078 138 A CA -0.092 51.824 52.037 -0.201 0.000 0.770 138 A CB -0.055 18.761 19.000 -0.307 0.000 1.011 138 A HN 0.451 nan 8.150 nan 0.000 0.494 139 T N 1.556 115.863 114.554 -0.411 0.000 2.887 139 T HA 0.658 5.007 4.350 -0.001 0.000 0.288 139 T C -0.927 173.451 174.700 -0.537 0.000 1.021 139 T CA -0.070 61.868 62.100 -0.270 0.000 1.000 139 T CB 0.877 69.653 68.868 -0.152 0.000 1.034 139 T HN 0.349 nan 8.240 nan 0.000 0.467 140 F N 1.571 121.481 119.950 -0.066 0.000 2.536 140 F HA 0.442 4.969 4.527 -0.001 0.000 0.322 140 F C 0.399 176.183 175.800 -0.026 0.000 1.144 140 F CA -1.131 56.839 58.000 -0.050 0.000 0.924 140 F CB 1.692 40.633 39.000 -0.099 0.000 1.181 140 F HN 0.155 nan 8.300 nan 0.000 0.438 141 K N 4.195 124.669 120.400 0.122 0.000 2.276 141 K HA 0.345 4.664 4.320 -0.001 0.000 0.283 141 K C -2.532 174.117 176.600 0.082 0.000 1.044 141 K CA -1.666 54.659 56.287 0.064 0.000 0.944 141 K CB 1.170 33.676 32.500 0.010 0.000 1.012 141 K HN 0.255 nan 8.250 nan 0.000 0.472 142 P HA -0.046 nan 4.420 nan 0.000 0.258 142 P C -1.120 176.201 177.300 0.035 0.000 1.172 142 P CA 0.387 63.510 63.100 0.038 0.000 0.762 142 P CB 0.554 32.266 31.700 0.020 0.000 0.764 143 A N 3.093 125.939 122.820 0.043 0.000 2.568 143 A HA 0.719 5.038 4.320 -0.001 0.000 0.291 143 A C 0.002 177.616 177.584 0.051 0.000 1.159 143 A CA -0.317 51.750 52.037 0.049 0.000 0.679 143 A CB 0.570 19.615 19.000 0.075 0.000 1.285 143 A HN 0.486 nan 8.150 nan 0.000 0.428 144 G N 1.019 109.868 108.800 0.081 0.000 2.255 144 G HA2 0.402 4.361 3.960 -0.001 0.000 0.267 144 G HA3 0.402 4.361 3.960 -0.001 0.000 0.267 144 G C -0.402 174.560 174.900 0.104 0.000 1.177 144 G CA 0.987 46.153 45.100 0.109 0.000 1.027 144 G HN 0.813 nan 8.290 nan 0.000 0.437 145 D N 0.866 121.233 120.400 -0.055 0.000 2.697 145 D HA -0.197 4.442 4.640 -0.001 0.000 0.238 145 D C 1.178 177.397 176.300 -0.135 0.000 1.152 145 D CA 0.517 54.398 54.000 -0.199 0.000 0.666 145 D CB -0.676 39.905 40.800 -0.366 0.000 1.037 145 D HN 0.447 nan 8.370 nan 0.000 0.423 146 I N -0.165 120.347 120.570 -0.097 0.000 3.001 146 I HA -0.122 4.047 4.170 -0.001 0.000 0.268 146 I C 1.920 177.901 176.117 -0.227 0.000 1.267 146 I CA 1.087 62.333 61.300 -0.090 0.000 1.472 146 I CB 0.090 38.077 38.000 -0.021 0.000 1.089 146 I HN 0.019 nan 8.210 nan 0.000 0.468 147 S N 0.403 115.977 115.700 -0.209 0.000 2.419 147 S HA -0.125 4.344 4.470 -0.001 0.000 0.233 147 S C 2.016 176.497 174.600 -0.199 0.000 1.016 147 S CA 1.000 59.078 58.200 -0.203 0.000 0.974 147 S CB -0.258 62.863 63.200 -0.132 0.000 0.786 147 S HN 0.512 nan 8.310 nan 0.000 0.492 148 R N 0.408 120.787 120.500 -0.202 0.000 2.115 148 R HA 0.032 4.372 4.340 -0.001 0.000 0.226 148 R C 2.631 178.788 176.300 -0.238 0.000 1.100 148 R CA 1.029 57.009 56.100 -0.200 0.000 0.980 148 R CB -0.550 29.513 30.300 -0.394 0.000 0.875 148 R HN 0.423 nan 8.270 nan 0.000 0.445 149 G N 1.160 109.735 108.800 -0.376 0.000 2.403 149 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.216 149 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.216 149 G C 1.434 175.910 174.900 -0.707 0.000 1.154 149 G CA 0.390 45.093 45.100 -0.662 0.000 0.784 149 G HN 0.106 nan 8.290 nan 0.000 0.538 150 I N 1.247 121.291 120.570 -0.876 0.000 2.163 150 I HA -0.058 4.111 4.170 -0.001 0.000 0.240 150 I C 3.121 179.081 176.117 -0.262 0.000 1.081 150 I CA 1.138 61.913 61.300 -0.876 0.000 1.353 150 I CB -0.545 36.988 38.000 -0.778 0.000 1.054 150 I HN 0.221 nan 8.210 nan 0.000 0.407 151 G N 0.966 109.664 108.800 -0.170 0.000 2.442 151 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.219 151 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.219 151 G C 1.659 176.576 174.900 0.029 0.000 1.141 151 G CA 0.750 45.833 45.100 -0.028 0.000 0.763 151 G HN 0.259 nan 8.290 nan 0.000 0.554 152 L N -0.617 120.621 121.223 0.023 0.000 2.093 152 L HA 0.300 4.640 4.340 -0.001 0.000 0.208 152 L C 1.374 178.343 176.870 0.165 0.000 1.085 152 L CA 0.308 55.200 54.840 0.087 0.000 0.755 152 L CB -0.574 41.543 42.059 0.097 0.000 0.904 152 L HN 0.160 nan 8.230 nan 0.000 0.435 156 T N 0.905 115.476 114.554 0.029 0.000 2.720 156 T HA -0.127 4.222 4.350 -0.001 0.000 0.268 156 T C 1.785 176.482 174.700 -0.005 0.000 1.037 156 T CA 2.166 64.250 62.100 -0.028 0.000 1.144 156 T CB -0.464 68.372 68.868 -0.054 0.000 0.864 156 T HN 0.656 nan 8.240 nan 0.000 0.444 157 G N 1.083 109.912 108.800 0.047 0.000 2.421 157 G HA2 -0.027 3.933 3.960 -0.001 0.000 0.216 157 G HA3 -0.027 3.933 3.960 -0.001 0.000 0.216 157 G C 1.860 177.051 174.900 0.486 0.000 1.171 157 G CA 0.859 46.145 45.100 0.311 0.000 0.775 157 G HN 0.580 nan 8.290 nan 0.000 0.543 158 A N 0.767 123.748 122.820 0.268 0.000 1.908 158 A HA 0.005 4.324 4.320 -0.001 0.000 0.218 158 A C 2.403 179.970 177.584 -0.028 0.000 1.181 158 A CA 1.360 53.420 52.037 0.039 0.000 0.627 158 A CB -0.390 18.519 19.000 -0.151 0.000 0.818 158 A HN 0.386 nan 8.150 nan 0.000 0.445 159 I N -0.531 119.949 120.570 -0.150 0.000 2.127 159 I HA -0.264 3.905 4.170 -0.001 0.000 0.241 159 I C 2.404 178.319 176.117 -0.336 0.000 1.075 159 I CA 1.502 62.489 61.300 -0.521 0.000 1.334 159 I CB -0.430 37.212 38.000 -0.597 0.000 1.040 159 I HN 0.175 nan 8.210 nan 0.000 0.405 160 V N 0.015 119.887 119.914 -0.070 0.000 2.287 160 V HA -0.352 3.767 4.120 -0.001 0.000 0.248 160 V C 2.262 178.363 176.094 0.012 0.000 1.053 160 V CA 2.183 64.506 62.300 0.037 0.000 1.027 160 V CB -0.837 31.064 31.823 0.131 0.000 0.646 160 V HN 0.402 nan 8.190 nan 0.000 0.447 161 Y N 1.053 121.281 120.300 -0.120 0.000 2.145 161 Y HA -0.297 4.252 4.550 -0.001 0.000 0.286 161 Y C 2.432 178.325 175.900 -0.011 0.000 1.145 161 Y CA 2.387 60.347 58.100 -0.234 0.000 1.148 161 Y CB -0.143 38.260 38.460 -0.095 0.000 0.981 161 Y HN 0.454 nan 8.280 nan 0.000 0.507 162 D N -1.313 119.272 120.400 0.308 0.000 2.120 162 D HA -0.181 4.458 4.640 -0.001 0.000 0.202 162 D C 1.700 178.281 176.300 0.469 0.000 0.972 162 D CA 1.505 55.740 54.000 0.391 0.000 0.837 162 D CB -0.428 40.597 40.800 0.376 0.000 0.989 162 D HN 0.306 nan 8.370 nan 0.000 0.469 163 W N 0.361 121.755 121.300 0.158 0.000 2.388 163 W HA 0.080 4.740 4.660 -0.001 0.000 0.294 163 W C 1.633 178.286 176.519 0.223 0.000 1.212 163 W CA 0.070 57.526 57.345 0.185 0.000 1.271 163 W CB -0.962 28.605 29.460 0.178 0.000 1.126 163 W HN 0.122 nan 8.180 nan 0.000 0.535 164 C N -0.517 118.964 119.300 0.301 0.000 2.404 164 C HA 0.155 4.614 4.460 -0.001 0.000 0.325 164 C C 1.938 176.850 174.990 -0.129 0.000 1.363 164 C CA -0.957 58.069 59.018 0.014 0.000 1.775 164 C CB -2.450 25.182 27.740 -0.180 0.000 2.254 164 C HN 0.261 nan 8.230 nan 0.000 0.568 165 Y N 3.482 123.683 120.300 -0.164 0.000 2.181 165 Y HA -0.205 4.344 4.550 -0.001 0.000 0.288 165 Y C 2.115 177.843 175.900 -0.287 0.000 1.146 165 Y CA 2.453 60.317 58.100 -0.394 0.000 1.164 165 Y CB -0.001 38.067 38.460 -0.654 0.000 0.982 165 Y HN 0.492 nan 8.280 nan 0.000 0.515 166 D N -1.235 119.133 120.400 -0.053 0.000 2.378 166 D HA -0.121 4.519 4.640 -0.001 0.000 0.227 166 D C 1.144 177.352 176.300 -0.153 0.000 1.012 166 D CA 0.668 54.630 54.000 -0.064 0.000 0.905 166 D CB -0.354 40.513 40.800 0.113 0.000 0.895 166 D HN 0.379 nan 8.370 nan 0.000 0.532 167 Q N -0.160 119.489 119.800 -0.252 0.000 2.247 167 Q HA 0.272 4.611 4.340 -0.001 0.000 0.211 167 Q C 0.596 176.408 176.000 -0.312 0.000 0.861 167 Q CA -0.213 55.427 55.803 -0.272 0.000 0.949 167 Q CB 1.154 29.661 28.738 -0.384 0.000 1.115 167 Q HN 0.386 nan 8.270 nan 0.000 0.507 168 L N 1.453 122.411 121.223 -0.441 0.000 2.439 168 L HA 0.143 4.482 4.340 -0.001 0.000 0.269 168 L C 0.522 177.192 176.870 -0.333 0.000 1.179 168 L CA 0.286 54.847 54.840 -0.466 0.000 0.828 168 L CB 0.542 42.140 42.059 -0.768 0.000 1.106 168 L HN -0.216 nan 8.230 nan 0.000 0.467 169 K N 2.907 123.173 120.400 -0.224 0.000 2.118 169 K HA 0.296 4.616 4.320 -0.001 0.000 0.254 169 K C -1.763 174.766 176.600 -0.118 0.000 0.961 169 K CA -1.713 54.487 56.287 -0.145 0.000 0.876 169 K CB 1.482 33.929 32.500 -0.088 0.000 1.077 169 K HN 0.197 nan 8.250 nan 0.000 0.440 170 P HA -0.213 nan 4.420 nan 0.000 0.216 170 P C 0.263 177.558 177.300 -0.008 0.000 1.150 170 P CA 1.506 64.582 63.100 -0.040 0.000 0.843 170 P CB 0.292 31.978 31.700 -0.023 0.000 0.787 171 E N -0.165 120.029 120.200 -0.009 0.000 2.072 171 E HA -0.153 4.197 4.350 -0.001 0.000 0.190 171 E C 1.917 178.536 176.600 0.032 0.000 0.982 171 E CA 1.048 57.452 56.400 0.008 0.000 0.803 171 E CB -0.833 28.865 29.700 -0.002 0.000 0.755 171 E HN 0.409 nan 8.360 nan 0.000 0.453 172 E N 1.149 121.368 120.200 0.033 0.000 2.106 172 E HA -0.124 4.226 4.350 -0.001 0.000 0.192 172 E C 1.871 178.602 176.600 0.218 0.000 0.984 172 E CA 0.800 57.270 56.400 0.116 0.000 0.806 172 E CB -0.070 29.677 29.700 0.079 0.000 0.750 172 E HN 0.168 nan 8.360 nan 0.000 0.458 173 K N 0.242 120.693 120.400 0.085 0.000 2.063 173 K HA -0.120 4.199 4.320 -0.001 0.000 0.208 173 K C 2.201 178.965 176.600 0.273 0.000 1.048 173 K CA 1.679 58.075 56.287 0.182 0.000 0.928 173 K CB -0.120 32.423 32.500 0.072 0.000 0.713 173 K HN 0.068 nan 8.250 nan 0.000 0.442 174 T N 0.487 115.131 114.554 0.149 0.000 2.857 174 T HA -0.041 4.309 4.350 -0.001 0.000 0.266 174 T C 1.785 176.520 174.700 0.058 0.000 1.048 174 T CA 0.856 63.012 62.100 0.093 0.000 1.139 174 T CB -0.031 68.868 68.868 0.052 0.000 0.874 174 T HN 0.208 nan 8.240 nan 0.000 0.455 175 R N -0.025 120.516 120.500 0.069 0.000 2.066 175 R HA 0.019 4.359 4.340 -0.001 0.000 0.232 175 R C 2.153 178.401 176.300 -0.087 0.000 1.131 175 R CA 1.271 57.360 56.100 -0.018 0.000 0.955 175 R CB -0.466 29.811 30.300 -0.039 0.000 0.851 175 R HN 0.309 nan 8.270 nan 0.000 0.432 176 F N 0.390 120.272 119.950 -0.112 0.000 2.046 176 F HA -0.274 4.252 4.527 -0.001 0.000 0.297 176 F C 2.475 178.040 175.800 -0.392 0.000 1.123 176 F CA 1.472 59.301 58.000 -0.285 0.000 1.199 176 F CB -0.711 38.335 39.000 0.075 0.000 0.972 176 F HN -0.217 nan 8.300 nan 0.000 0.474 177 V N 0.237 120.225 119.914 0.124 0.000 2.278 177 V HA -0.368 3.752 4.120 -0.001 0.000 0.251 177 V C 2.489 178.490 176.094 -0.155 0.000 1.062 177 V CA 1.917 64.232 62.300 0.025 0.000 1.038 177 V CB -0.550 31.237 31.823 -0.059 0.000 0.646 177 V HN 0.246 nan 8.190 nan 0.000 0.447 178 K N 0.117 120.417 120.400 -0.166 0.000 2.026 178 K HA -0.092 4.227 4.320 -0.001 0.000 0.208 178 K C 2.310 178.813 176.600 -0.162 0.000 1.048 178 K CA 1.666 57.851 56.287 -0.170 0.000 0.929 178 K CB -0.973 31.455 32.500 -0.120 0.000 0.713 178 K HN 0.496 nan 8.250 nan 0.000 0.439 179 A N 0.720 123.403 122.820 -0.229 0.000 1.908 179 A HA -0.131 4.188 4.320 -0.001 0.000 0.218 179 A C 2.219 179.693 177.584 -0.183 0.000 1.181 179 A CA 1.309 53.192 52.037 -0.256 0.000 0.627 179 A CB -0.857 17.880 19.000 -0.438 0.000 0.818 179 A HN 0.257 nan 8.150 nan 0.000 0.445 180 F N -0.280 119.595 119.950 -0.125 0.000 2.134 180 F HA -0.186 4.341 4.527 -0.001 0.000 0.299 180 F C 2.412 178.091 175.800 -0.203 0.000 1.097 180 F CA 1.151 59.066 58.000 -0.143 0.000 1.264 180 F CB -0.240 38.668 39.000 -0.154 0.000 1.001 180 F HN 0.049 nan 8.300 nan 0.000 0.479 181 V N 0.158 120.028 119.914 -0.072 0.000 2.427 181 V HA -0.274 3.846 4.120 -0.001 0.000 0.248 181 V C 2.342 178.389 176.094 -0.079 0.000 1.051 181 V CA 1.831 64.014 62.300 -0.195 0.000 1.048 181 V CB -0.707 30.999 31.823 -0.194 0.000 0.666 181 V HN 0.276 nan 8.190 nan 0.000 0.456 182 R N -0.103 120.374 120.500 -0.039 0.000 2.081 182 R HA -0.109 4.230 4.340 -0.001 0.000 0.235 182 R C 2.255 178.574 176.300 0.031 0.000 1.131 182 R CA 1.555 57.656 56.100 0.003 0.000 0.960 182 R CB -0.217 30.079 30.300 -0.006 0.000 0.856 182 R HN 0.445 nan 8.270 nan 0.000 0.436 183 L N 0.016 121.265 121.223 0.044 0.000 2.109 183 L HA -0.017 4.322 4.340 -0.001 0.000 0.207 183 L C 2.618 179.503 176.870 0.024 0.000 1.086 183 L CA 0.980 55.862 54.840 0.069 0.000 0.760 183 L CB -0.377 41.765 42.059 0.138 0.000 0.910 183 L HN 0.282 nan 8.230 nan 0.000 0.437 184 A N -0.227 122.587 122.820 -0.010 0.000 2.015 184 A HA -0.116 4.204 4.320 -0.001 0.000 0.219 184 A C 1.420 179.047 177.584 0.071 0.000 1.163 184 A CA 0.934 52.949 52.037 -0.036 0.000 0.646 184 A CB -0.237 18.594 19.000 -0.281 0.000 0.806 184 A HN 0.249 nan 8.150 nan 0.000 0.448 188 E N 0.206 120.402 120.200 -0.008 0.000 2.153 188 E HA -0.199 4.150 4.350 -0.001 0.000 0.194 188 E C 1.733 178.362 176.600 0.047 0.000 0.988 188 E CA 1.994 58.398 56.400 0.006 0.000 0.811 188 E CB -0.006 29.680 29.700 -0.025 0.000 0.746 188 E HN 0.766 nan 8.360 nan 0.000 0.466 189 C N -0.783 118.557 119.300 0.067 0.000 2.481 189 C HA 0.437 4.897 4.460 -0.001 0.000 0.275 189 C C 1.375 176.413 174.990 0.080 0.000 1.419 189 C CA -0.142 58.926 59.018 0.083 0.000 1.773 189 C CB -1.296 26.508 27.740 0.107 0.000 1.862 189 C HN 0.421 nan 8.230 nan 0.000 0.530 190 G N -0.401 108.451 108.800 0.087 0.000 2.829 190 G HA2 -0.063 3.897 3.960 -0.001 0.000 0.628 190 G HA3 -0.063 3.897 3.960 -0.001 0.000 0.628 190 G C -1.169 173.839 174.900 0.181 0.000 1.412 190 G CA 0.043 45.207 45.100 0.106 0.000 0.864 190 G HN 1.356 nan 8.290 nan 0.000 0.544 191 Y N 1.581 121.911 120.300 0.049 0.000 2.354 191 Y HA 0.581 5.131 4.550 -0.001 0.000 0.330 191 Y C -1.839 174.100 175.900 0.065 0.000 1.011 191 Y CA -1.662 56.476 58.100 0.063 0.000 1.099 191 Y CB 1.927 40.434 38.460 0.078 0.000 1.179 191 Y HN 0.685 nan 8.280 nan 0.000 0.442 192 P HA 0.081 nan 4.420 nan 0.000 0.265 192 P C -2.700 174.506 177.300 -0.158 0.000 1.187 192 P CA -1.031 61.735 63.100 -0.558 0.000 0.766 192 P CB 0.352 31.832 31.700 -0.367 0.000 0.820 193 P HA -0.006 nan 4.420 nan 0.000 0.235 193 P C 0.835 178.152 177.300 0.029 0.000 1.765 193 P CA 0.008 63.137 63.100 0.049 0.000 1.034 193 P CB -0.408 31.354 31.700 0.103 0.000 1.984 194 V N -1.070 118.849 119.914 0.008 0.000 3.650 194 V HA 0.221 4.341 4.120 -0.001 0.000 0.271 194 V C 0.706 176.811 176.094 0.018 0.000 1.281 194 V CA 0.331 62.634 62.300 0.006 0.000 1.120 194 V CB -0.812 31.003 31.823 -0.014 0.000 0.856 194 V HN 0.019 nan 8.190 nan 0.000 0.443 195 K N 0.943 121.362 120.400 0.031 0.000 2.106 195 K HA 0.548 4.867 4.320 -0.001 0.000 0.246 195 K C -0.136 176.486 176.600 0.036 0.000 0.987 195 K CA -0.096 56.209 56.287 0.030 0.000 0.904 195 K CB 0.767 33.287 32.500 0.033 0.000 1.071 195 K HN 0.287 nan 8.250 nan 0.000 0.453 196 D N -0.459 119.952 120.400 0.019 0.000 3.876 196 D HA -0.156 4.483 4.640 -0.001 0.000 0.275 196 D C -1.136 175.156 176.300 -0.013 0.000 2.055 196 D CA 1.034 55.038 54.000 0.005 0.000 1.173 196 D CB 0.167 40.989 40.800 0.037 0.000 0.929 196 D HN 0.324 nan 8.370 nan 0.000 1.134 197 K N -0.509 119.870 120.400 -0.035 0.000 2.221 197 K HA 0.624 4.943 4.320 -0.001 0.000 0.243 197 K C 0.012 176.550 176.600 -0.103 0.000 0.968 197 K CA -0.627 55.615 56.287 -0.075 0.000 0.846 197 K CB 1.712 34.150 32.500 -0.102 0.000 1.141 197 K HN 0.307 nan 8.250 nan 0.000 0.434 198 S N 0.389 115.961 115.700 -0.213 0.000 2.502 198 S HA 0.178 4.647 4.470 -0.001 0.000 0.215 198 S C 1.663 175.956 174.600 -0.512 0.000 1.009 198 S CA -0.031 57.834 58.200 -0.557 0.000 0.908 198 S CB 0.115 63.021 63.200 -0.489 0.000 0.801 198 S HN 0.474 nan 8.310 nan 0.000 0.505 199 I N 0.992 121.446 120.570 -0.193 0.000 3.339 199 I HA 0.158 4.328 4.170 -0.001 0.000 0.285 199 I C 0.665 176.856 176.117 0.124 0.000 1.201 199 I CA 0.092 61.393 61.300 0.001 0.000 1.434 199 I CB 0.300 38.321 38.000 0.034 0.000 1.152 199 I HN 0.120 nan 8.210 nan 0.000 0.443 200 V N -1.733 118.202 119.914 0.036 0.000 3.119 200 V HA 0.986 5.106 4.120 -0.001 0.000 0.311 200 V C 0.275 176.337 176.094 -0.052 0.000 1.259 200 V CA -0.225 62.100 62.300 0.041 0.000 1.067 200 V CB 0.683 32.514 31.823 0.014 0.000 1.123 200 V HN 0.400 nan 8.190 nan 0.000 0.463 201 G N -0.312 108.400 108.800 -0.146 0.000 2.660 201 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.215 201 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.215 201 G C 0.039 174.837 174.900 -0.170 0.000 1.345 201 G CA 0.754 45.686 45.100 -0.280 0.000 0.877 201 G HN 1.377 nan 8.290 nan 0.000 0.549 202 H N 0.117 119.152 119.070 -0.058 0.000 2.462 202 H HA 0.243 4.798 4.556 -0.001 0.000 0.292 202 H C 2.831 178.190 175.328 0.052 0.000 1.049 202 H CA 1.567 57.609 56.048 -0.010 0.000 1.334 202 H CB 0.048 29.793 29.762 -0.029 0.000 1.404 202 H HN 0.728 nan 8.280 nan 0.000 0.544 203 A N 0.108 123.031 122.820 0.172 0.000 2.235 203 A HA 0.019 4.339 4.320 -0.001 0.000 0.208 203 A C 1.532 179.304 177.584 0.314 0.000 1.172 203 A CA 0.645 52.807 52.037 0.209 0.000 0.786 203 A CB 0.067 19.178 19.000 0.185 0.000 0.804 203 A HN 0.206 nan 8.150 nan 0.000 0.479 204 S N -0.290 115.546 115.700 0.228 0.000 2.574 204 S HA 0.243 4.713 4.470 -0.001 0.000 0.242 204 S C 0.419 175.117 174.600 0.164 0.000 0.982 204 S CA -0.191 58.170 58.200 0.267 0.000 0.977 204 S CB 0.125 63.442 63.200 0.195 0.000 0.814 204 S HN 0.694 nan 8.310 nan 0.000 0.464 205 E N -0.412 119.853 120.200 0.109 0.000 3.995 205 E HA 0.365 4.715 4.350 -0.001 0.000 0.227 205 E C -0.609 175.948 176.600 -0.071 0.000 0.888 205 E CA -0.955 55.408 56.400 -0.063 0.000 1.376 205 E CB 0.344 30.048 29.700 0.006 0.000 1.869 205 E HN 0.269 nan 8.360 nan 0.000 0.399 211 D N 1.610 122.056 120.400 0.076 0.000 2.075 211 D HA -0.100 4.539 4.640 -0.001 0.000 0.196 211 D C 1.762 178.078 176.300 0.027 0.000 0.985 211 D CA 1.101 55.142 54.000 0.067 0.000 0.834 211 D CB -0.111 40.735 40.800 0.076 0.000 0.987 211 D HN 0.114 nan 8.370 nan 0.000 0.452 212 L N 0.528 121.768 121.223 0.029 0.000 2.131 212 L HA -0.065 4.275 4.340 -0.001 0.000 0.210 212 L C 2.223 179.100 176.870 0.012 0.000 1.092 212 L CA 0.877 55.727 54.840 0.016 0.000 0.759 212 L CB -0.925 41.170 42.059 0.059 0.000 0.903 212 L HN 0.051 nan 8.230 nan 0.000 0.435 213 L N -1.432 119.799 121.223 0.013 0.000 2.056 213 L HA -0.131 4.208 4.340 -0.001 0.000 0.207 213 L C 2.494 179.402 176.870 0.063 0.000 1.078 213 L CA 1.556 56.407 54.840 0.017 0.000 0.749 213 L CB -0.635 41.400 42.059 -0.040 0.000 0.901 213 L HN 0.150 nan 8.230 nan 0.000 0.433 214 S N -1.034 114.705 115.700 0.066 0.000 2.348 214 S HA -0.162 4.308 4.470 -0.001 0.000 0.221 214 S C 1.950 176.498 174.600 -0.087 0.000 1.033 214 S CA 1.508 59.730 58.200 0.038 0.000 1.010 214 S CB -0.474 62.810 63.200 0.139 0.000 0.891 214 S HN 0.335 nan 8.310 nan 0.000 0.442 215 V N 1.814 121.622 119.914 -0.176 0.000 2.255 215 V HA -0.169 3.951 4.120 -0.001 0.000 0.247 215 V C 2.687 178.626 176.094 -0.259 0.000 1.051 215 V CA 1.994 64.035 62.300 -0.432 0.000 1.018 215 V CB -1.667 29.770 31.823 -0.643 0.000 0.641 215 V HN 0.589 nan 8.190 nan 0.000 0.445 216 G N -0.031 108.737 108.800 -0.054 0.000 2.513 216 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.219 216 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.219 216 G C 1.581 176.587 174.900 0.177 0.000 1.160 216 G CA 1.395 46.581 45.100 0.143 0.000 0.767 216 G HN 0.501 nan 8.290 nan 0.000 0.571 217 I N 1.285 121.926 120.570 0.119 0.000 2.179 217 I HA -0.155 4.015 4.170 -0.001 0.000 0.242 217 I C 3.310 179.427 176.117 0.000 0.000 1.088 217 I CA 0.944 62.239 61.300 -0.007 0.000 1.357 217 I CB -0.257 37.737 38.000 -0.010 0.000 1.051 217 I HN 0.253 nan 8.210 nan 0.000 0.409 218 A N 1.296 124.108 122.820 -0.013 0.000 1.908 218 A HA -0.173 4.146 4.320 -0.001 0.000 0.218 218 A C 2.102 179.770 177.584 0.139 0.000 1.181 218 A CA 1.996 54.076 52.037 0.072 0.000 0.627 218 A CB -0.802 18.172 19.000 -0.044 0.000 0.818 218 A HN 0.658 nan 8.150 nan 0.000 0.445 219 I N -5.211 115.328 120.570 -0.051 0.000 3.941 219 I HA 0.311 4.481 4.170 -0.001 0.000 0.335 219 I C 1.621 177.841 176.117 0.172 0.000 1.402 219 I CA -0.236 61.045 61.300 -0.033 0.000 1.112 219 I CB -0.083 37.763 38.000 -0.257 0.000 1.043 219 I HN 0.171 nan 8.210 nan 0.000 0.395 220 Y N 2.577 122.896 120.300 0.031 0.000 2.151 220 Y HA -0.295 4.255 4.550 -0.001 0.000 0.284 220 Y C 1.989 177.905 175.900 0.025 0.000 1.166 220 Y CA 2.126 60.214 58.100 -0.020 0.000 1.163 220 Y CB -0.081 38.265 38.460 -0.191 0.000 0.974 220 Y HN 0.331 nan 8.280 nan 0.000 0.511 221 D N -0.590 119.871 120.400 0.102 0.000 2.224 221 D HA -0.100 4.539 4.640 -0.001 0.000 0.205 221 D C 1.655 178.000 176.300 0.075 0.000 0.965 221 D CA 1.265 55.295 54.000 0.050 0.000 0.852 221 D CB 0.064 40.952 40.800 0.145 0.000 0.947 221 D HN 0.482 nan 8.370 nan 0.000 0.494 222 E N -0.613 119.698 120.200 0.184 0.000 2.216 222 E HA 0.090 4.439 4.350 -0.001 0.000 0.192 222 E C 0.009 176.760 176.600 0.251 0.000 0.973 222 E CA 0.214 56.752 56.400 0.230 0.000 0.851 222 E CB 0.311 30.215 29.700 0.339 0.000 0.804 222 E HN 0.065 nan 8.360 nan 0.000 0.477 223 F N 0.139 120.090 119.950 0.003 0.000 3.050 223 F HA 0.322 4.849 4.527 -0.001 0.000 0.382 223 F C -2.467 173.294 175.800 -0.066 0.000 1.246 223 F CA -2.341 55.654 58.000 -0.010 0.000 1.217 223 F CB 1.629 40.655 39.000 0.043 0.000 1.795 223 F HN -0.111 nan 8.300 nan 0.000 0.622 224 P HA -0.111 nan 4.420 nan 0.000 0.226 224 P C 0.623 177.761 177.300 -0.269 0.000 1.153 224 P CA 0.822 63.589 63.100 -0.555 0.000 0.777 224 P CB 0.256 31.512 31.700 -0.740 0.000 0.794 228 N N 1.285 120.138 118.700 0.255 0.000 2.137 228 N HA -0.185 4.554 4.740 -0.001 0.000 0.190 228 N C 1.349 176.860 175.510 0.002 0.000 1.017 228 N CA 2.044 55.161 53.050 0.110 0.000 0.859 228 N CB -0.049 38.509 38.487 0.118 0.000 1.002 228 N HN 0.388 nan 8.380 nan 0.000 0.428 229 L N -0.219 121.018 121.223 0.024 0.000 2.202 229 L HA 0.108 4.448 4.340 -0.001 0.000 0.205 229 L C 2.398 179.279 176.870 0.019 0.000 1.083 229 L CA 0.330 55.175 54.840 0.009 0.000 0.790 229 L CB -0.187 41.865 42.059 -0.012 0.000 0.942 229 L HN 0.142 nan 8.230 nan 0.000 0.452 230 A N 0.061 122.895 122.820 0.024 0.000 1.861 230 A HA 0.058 4.377 4.320 -0.001 0.000 0.212 230 A C 2.440 179.998 177.584 -0.043 0.000 1.199 230 A CA 1.212 53.257 52.037 0.014 0.000 0.613 230 A CB -0.662 18.362 19.000 0.040 0.000 0.846 230 A HN 0.288 nan 8.150 nan 0.000 0.446 231 A N -0.364 122.333 122.820 -0.205 0.000 2.015 231 A HA 0.196 4.515 4.320 -0.001 0.000 0.219 231 A C 2.299 179.947 177.584 0.106 0.000 1.163 231 A CA 1.716 53.651 52.037 -0.169 0.000 0.646 231 A CB -1.220 17.291 19.000 -0.814 0.000 0.806 231 A HN 0.673 nan 8.150 nan 0.000 0.448 232 G N -0.380 108.407 108.800 -0.022 0.000 2.446 232 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.217 232 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.217 232 G C 1.761 176.727 174.900 0.109 0.000 1.168 232 G CA 1.020 46.147 45.100 0.046 0.000 0.771 232 G HN 0.538 nan 8.290 nan 0.000 0.551 233 R N -0.733 119.823 120.500 0.094 0.000 2.092 233 R HA -0.011 4.328 4.340 -0.001 0.000 0.231 233 R C 2.263 178.665 176.300 0.170 0.000 1.119 233 R CA 1.105 57.276 56.100 0.119 0.000 0.970 233 R CB -0.406 29.966 30.300 0.119 0.000 0.864 233 R HN 0.371 nan 8.270 nan 0.000 0.440 234 F N 0.476 120.409 119.950 -0.028 0.000 2.069 234 F HA -0.205 4.321 4.527 -0.001 0.000 0.298 234 F C 1.555 177.282 175.800 -0.120 0.000 1.113 234 F CA 1.686 59.597 58.000 -0.148 0.000 1.214 234 F CB -0.472 38.344 39.000 -0.306 0.000 0.978 234 F HN -0.063 nan 8.300 nan 0.000 0.474 235 F N 0.819 120.757 119.950 -0.021 0.000 2.186 235 F HA -0.108 4.419 4.527 -0.001 0.000 0.299 235 F C 2.391 178.110 175.800 -0.134 0.000 1.090 235 F CA 1.522 59.458 58.000 -0.106 0.000 1.307 235 F CB -0.522 38.501 39.000 0.038 0.000 1.019 235 F HN -0.134 nan 8.300 nan 0.000 0.489 236 K N -0.319 120.140 120.400 0.098 0.000 2.103 236 K HA -0.107 4.212 4.320 -0.001 0.000 0.204 236 K C 1.478 178.051 176.600 -0.046 0.000 1.052 236 K CA 1.582 57.886 56.287 0.029 0.000 0.945 236 K CB 0.001 32.522 32.500 0.035 0.000 0.722 236 K HN 0.365 nan 8.250 nan 0.000 0.443 237 E N -1.657 118.507 120.200 -0.059 0.000 2.756 237 E HA 0.028 4.378 4.350 -0.001 0.000 0.192 237 E C 1.814 178.317 176.600 -0.160 0.000 1.022 237 E CA -0.090 56.253 56.400 -0.095 0.000 1.224 237 E CB -0.012 29.660 29.700 -0.047 0.000 1.252 237 E HN 0.159 nan 8.360 nan 0.000 0.494 238 H N 1.058 119.973 119.070 -0.259 0.000 2.289 238 H HA -0.159 4.397 4.556 -0.001 0.000 0.296 238 H C 2.021 177.071 175.328 -0.464 0.000 1.091 238 H CA 1.703 57.575 56.048 -0.294 0.000 1.274 238 H CB -0.133 29.449 29.762 -0.300 0.000 1.364 238 H HN 0.025 nan 8.280 nan 0.000 0.490 239 L N 0.045 120.827 121.223 -0.735 0.000 2.017 239 L HA -0.127 4.212 4.340 -0.001 0.000 0.208 239 L C 2.240 178.859 176.870 -0.418 0.000 1.073 239 L CA 1.168 55.528 54.840 -0.800 0.000 0.745 239 L CB -0.637 40.771 42.059 -1.085 0.000 0.894 239 L HN 0.130 nan 8.230 nan 0.000 0.432 240 V N -0.026 119.709 119.914 -0.297 0.000 2.332 240 V HA -0.310 3.810 4.120 -0.001 0.000 0.248 240 V C 2.756 178.762 176.094 -0.147 0.000 1.055 240 V CA 1.646 63.832 62.300 -0.189 0.000 1.038 240 V CB -1.327 30.403 31.823 -0.156 0.000 0.651 240 V HN 0.603 nan 8.190 nan 0.000 0.450 241 A N -0.106 122.632 122.820 -0.137 0.000 1.873 241 A HA -0.199 4.120 4.320 -0.001 0.000 0.215 241 A C 2.360 179.987 177.584 0.071 0.000 1.186 241 A CA 1.775 53.811 52.037 -0.002 0.000 0.616 241 A CB -0.448 18.557 19.000 0.008 0.000 0.823 241 A HN 0.490 nan 8.150 nan 0.000 0.442 242 R N -0.298 120.089 120.500 -0.188 0.000 2.092 242 R HA -0.050 4.290 4.340 -0.001 0.000 0.231 242 R C 1.640 177.260 176.300 -1.133 0.000 1.119 242 R CA 1.346 56.972 56.100 -0.790 0.000 0.970 242 R CB -0.255 29.712 30.300 -0.556 0.000 0.864 242 R HN 0.450 nan 8.270 nan 0.000 0.440 243 N N -0.437 117.909 118.700 -0.590 0.000 2.453 243 N HA -0.174 4.566 4.740 -0.001 0.000 0.183 243 N C 1.031 176.458 175.510 -0.139 0.000 1.041 243 N CA 0.722 53.562 53.050 -0.351 0.000 0.900 243 N CB -0.123 38.250 38.487 -0.189 0.000 0.961 243 N HN 0.343 nan 8.380 nan 0.000 0.443 244 W N 1.159 122.289 121.300 -0.284 0.000 2.443 244 W HA -0.061 4.599 4.660 -0.001 0.000 0.296 244 W C 1.606 178.070 176.519 -0.091 0.000 1.202 244 W CA 0.821 58.070 57.345 -0.160 0.000 1.312 244 W CB -0.404 28.976 29.460 -0.134 0.000 1.120 244 W HN 0.069 nan 8.180 nan 0.000 0.536 245 F N -3.078 116.785 119.950 -0.145 0.000 2.656 245 F HA 0.174 4.701 4.527 -0.001 0.000 0.291 245 F C 1.579 177.397 175.800 0.029 0.000 1.122 245 F CA -0.094 57.709 58.000 -0.329 0.000 1.427 245 F CB -1.578 37.233 39.000 -0.315 0.000 1.125 245 F HN -0.205 nan 8.300 nan 0.000 0.583 246 Y N 2.082 122.099 120.300 -0.473 0.000 2.181 246 Y HA -0.069 4.480 4.550 -0.001 0.000 0.284 246 Y C -0.500 175.363 175.900 -0.062 0.000 1.179 246 Y CA 0.777 58.753 58.100 -0.206 0.000 1.179 246 Y CB -2.491 35.864 38.460 -0.176 0.000 0.973 246 Y HN 0.151 nan 8.280 nan 0.000 0.519 247 P HA -0.102 nan 4.420 nan 0.000 0.221 247 P C 1.392 178.428 177.300 -0.440 0.000 1.145 247 P CA 1.933 64.936 63.100 -0.161 0.000 0.795 247 P CB 0.022 31.632 31.700 -0.150 0.000 0.775 248 S N -2.555 112.986 115.700 -0.265 0.000 2.575 248 S HA 0.040 4.509 4.470 -0.001 0.000 0.215 248 S C -0.003 174.483 174.600 -0.189 0.000 0.966 248 S CA -0.191 57.840 58.200 -0.282 0.000 0.911 248 S CB -1.070 62.057 63.200 -0.122 0.000 0.780 248 S HN 0.369 nan 8.310 nan 0.000 0.514 249 H N 0.342 119.390 119.070 -0.037 0.000 2.819 249 H HA -0.149 4.406 4.556 -0.001 0.000 0.315 249 H C -0.125 175.096 175.328 -0.179 0.000 1.242 249 H CA 0.288 56.272 56.048 -0.108 0.000 1.157 249 H CB -1.611 28.078 29.762 -0.123 0.000 1.451 249 H HN 0.384 nan 8.280 nan 0.000 0.430 250 N N -1.138 117.503 118.700 -0.099 0.000 2.927 250 N HA 0.514 5.254 4.740 -0.001 0.000 0.248 250 N C -1.621 173.703 175.510 -0.311 0.000 1.443 250 N CA -0.709 52.114 53.050 -0.378 0.000 0.870 250 N CB 1.829 39.773 38.487 -0.905 0.000 1.444 250 N HN 0.137 nan 8.380 nan 0.000 0.519 251 Y N -0.470 119.539 120.300 -0.485 0.000 2.598 251 Y HA 0.316 4.866 4.550 -0.001 0.000 0.340 251 Y C 0.310 175.974 175.900 -0.394 0.000 1.038 251 Y CA -0.212 57.626 58.100 -0.436 0.000 1.100 251 Y CB 1.297 39.512 38.460 -0.409 0.000 1.281 251 Y HN 0.778 nan 8.280 nan 0.000 0.488 252 H N -2.161 116.731 119.070 -0.297 0.000 2.893 252 H HA 0.312 4.867 4.556 -0.001 0.000 0.270 252 H C 0.188 175.536 175.328 0.034 0.000 1.095 252 H CA -0.105 55.860 56.048 -0.137 0.000 1.186 252 H CB 0.459 29.780 29.762 -0.735 0.000 1.562 252 H HN 0.363 nan 8.280 nan 0.000 0.536 253 Q N 1.504 121.291 119.800 -0.021 0.000 2.220 253 Q HA 0.307 4.647 4.340 -0.001 0.000 0.205 253 Q C 0.555 176.605 176.000 0.083 0.000 0.865 253 Q CA 0.525 56.387 55.803 0.098 0.000 0.960 253 Q CB 0.946 29.759 28.738 0.126 0.000 1.097 253 Q HN 0.748 nan 8.270 nan 0.000 0.493 257 Y N 2.668 122.908 120.300 -0.101 0.000 2.616 257 Y HA 0.089 4.639 4.550 -0.001 0.000 0.296 257 Y C 2.083 177.937 175.900 -0.076 0.000 1.154 257 Y CA 0.656 58.687 58.100 -0.115 0.000 1.325 257 Y CB -0.004 38.302 38.460 -0.256 0.000 1.007 257 Y HN 0.313 nan 8.280 nan 0.000 0.542 258 L N 0.478 121.725 121.223 0.039 0.000 2.089 258 L HA -0.306 4.034 4.340 -0.001 0.000 0.213 258 L C 1.975 178.847 176.870 0.004 0.000 1.079 258 L CA 1.752 56.537 54.840 -0.090 0.000 0.758 258 L CB -0.756 41.237 42.059 -0.109 0.000 0.891 258 L HN 0.223 nan 8.230 nan 0.000 0.433 259 N N -0.537 118.257 118.700 0.158 0.000 2.022 259 N HA -0.199 4.541 4.740 -0.001 0.000 0.194 259 N C 1.885 177.459 175.510 0.107 0.000 1.057 259 N CA 1.977 55.149 53.050 0.204 0.000 0.849 259 N CB -0.589 38.021 38.487 0.206 0.000 1.044 259 N HN 0.359 nan 8.380 nan 0.000 0.424 260 V N 2.217 122.192 119.914 0.103 0.000 2.515 260 V HA -0.131 3.989 4.120 -0.001 0.000 0.250 260 V C 2.308 178.320 176.094 -0.137 0.000 1.058 260 V CA 1.384 63.687 62.300 0.004 0.000 1.064 260 V CB -0.188 31.736 31.823 0.167 0.000 0.675 260 V HN 0.252 nan 8.190 nan 0.000 0.461 261 R N -0.949 119.520 120.500 -0.053 0.000 2.062 261 R HA -0.016 4.323 4.340 -0.001 0.000 0.226 261 R C 2.048 178.291 176.300 -0.094 0.000 1.125 261 R CA 1.631 57.687 56.100 -0.072 0.000 0.966 261 R CB -1.235 29.014 30.300 -0.085 0.000 0.861 261 R HN 0.581 nan 8.270 nan 0.000 0.433 262 F N 2.019 121.719 119.950 -0.417 0.000 2.234 262 F HA -0.055 4.471 4.527 -0.001 0.000 0.296 262 F C 2.017 177.726 175.800 -0.153 0.000 1.089 262 F CA 1.138 58.923 58.000 -0.359 0.000 1.343 262 F CB -0.554 38.177 39.000 -0.448 0.000 1.040 262 F HN -0.057 nan 8.300 nan 0.000 0.498 263 T N 0.765 115.230 114.554 -0.148 0.000 2.665 263 T HA -0.234 4.116 4.350 -0.001 0.000 0.268 263 T C 1.838 176.487 174.700 -0.084 0.000 1.035 263 T CA 1.810 63.819 62.100 -0.151 0.000 1.151 263 T CB -0.353 68.488 68.868 -0.044 0.000 0.862 263 T HN 0.286 nan 8.240 nan 0.000 0.438 264 N N 0.796 119.398 118.700 -0.163 0.000 2.331 264 N HA -0.075 4.665 4.740 -0.001 0.000 0.180 264 N C 1.351 176.909 175.510 0.081 0.000 1.019 264 N CA 0.816 53.823 53.050 -0.071 0.000 0.881 264 N CB -0.219 38.112 38.487 -0.261 0.000 0.972 264 N HN 0.376 nan 8.380 nan 0.000 0.435 265 D N 1.001 121.436 120.400 0.058 0.000 2.117 265 D HA -0.060 4.580 4.640 -0.001 0.000 0.197 265 D C 2.028 178.238 176.300 -0.149 0.000 0.987 265 D CA 0.626 54.678 54.000 0.086 0.000 0.829 265 D CB -0.163 40.724 40.800 0.144 0.000 0.961 265 D HN 0.239 nan 8.370 nan 0.000 0.460 266 L N -0.862 120.183 121.223 -0.298 0.000 2.313 266 L HA 0.002 4.341 4.340 -0.001 0.000 0.214 266 L C 2.034 178.825 176.870 -0.132 0.000 1.119 266 L CA 0.188 54.825 54.840 -0.337 0.000 0.809 266 L CB -0.188 41.583 42.059 -0.480 0.000 0.933 266 L HN -0.044 nan 8.230 nan 0.000 0.449 267 F N 0.343 120.256 119.950 -0.062 0.000 2.113 267 F HA -0.212 4.315 4.527 -0.001 0.000 0.297 267 F C 2.631 178.449 175.800 0.030 0.000 1.103 267 F CA 1.392 59.402 58.000 0.017 0.000 1.248 267 F CB -0.374 38.618 39.000 -0.014 0.000 0.999 267 F HN 0.013 nan 8.300 nan 0.000 0.475 268 A N -0.164 122.768 122.820 0.187 0.000 1.940 268 A HA -0.193 4.126 4.320 -0.001 0.000 0.219 268 A C 2.053 179.684 177.584 0.078 0.000 1.176 268 A CA 1.629 53.676 52.037 0.017 0.000 0.631 268 A CB -1.092 17.828 19.000 -0.133 0.000 0.814 268 A HN 0.392 nan 8.150 nan 0.000 0.446 269 L N -1.465 119.852 121.223 0.157 0.000 1.955 269 L HA -0.151 4.188 4.340 -0.001 0.000 0.213 269 L C 2.270 178.956 176.870 -0.306 0.000 1.072 269 L CA 2.253 57.047 54.840 -0.077 0.000 0.755 269 L CB -0.782 41.016 42.059 -0.436 0.000 0.888 269 L HN 0.569 nan 8.230 nan 0.000 0.432 270 W N -0.258 120.759 121.300 -0.472 0.000 2.358 270 W HA -0.146 4.513 4.660 -0.001 0.000 0.303 270 W C 2.468 178.776 176.519 -0.351 0.000 1.208 270 W CA 1.554 58.501 57.345 -0.663 0.000 1.274 270 W CB -0.260 28.333 29.460 -1.445 0.000 1.138 270 W HN 0.157 nan 8.180 nan 0.000 0.515 271 I N -0.312 120.343 120.570 0.142 0.000 2.142 271 I HA -0.330 3.840 4.170 -0.001 0.000 0.240 271 I C 2.188 178.413 176.117 0.179 0.000 1.078 271 I CA 1.340 62.836 61.300 0.326 0.000 1.343 271 I CB -0.817 37.419 38.000 0.392 0.000 1.046 271 I HN -0.076 nan 8.210 nan 0.000 0.405 272 L N 0.116 121.385 121.223 0.077 0.000 2.141 272 L HA -0.219 4.120 4.340 -0.001 0.000 0.209 272 L C 2.364 179.280 176.870 0.077 0.000 1.094 272 L CA 1.180 56.062 54.840 0.069 0.000 0.763 272 L CB -0.640 41.449 42.059 0.051 0.000 0.908 272 L HN 0.389 nan 8.230 nan 0.000 0.437 273 D N -0.069 120.357 120.400 0.043 0.000 2.097 273 D HA -0.124 4.515 4.640 -0.001 0.000 0.197 273 D C 1.365 177.705 176.300 0.067 0.000 0.984 273 D CA 0.727 54.754 54.000 0.045 0.000 0.826 273 D CB 0.351 41.151 40.800 0.000 0.000 0.973 273 D HN 0.026 nan 8.370 nan 0.000 0.460 277 A N 0.265 123.141 122.820 0.093 0.000 2.307 277 A HA 0.615 4.935 4.320 -0.001 0.000 0.218 277 A C 1.783 179.568 177.584 0.335 0.000 1.228 277 A CA 1.193 53.358 52.037 0.213 0.000 0.857 277 A CB -0.471 18.600 19.000 0.119 0.000 0.897 277 A HN 2.092 nan 8.150 nan 0.000 0.495 278 G N 0.371 109.289 108.800 0.196 0.000 2.645 278 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.246 278 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.246 278 G C -0.142 174.857 174.900 0.166 0.000 1.322 278 G CA -0.028 45.167 45.100 0.159 0.000 0.898 278 G HN 0.777 nan 8.290 nan 0.000 0.573 279 N N 0.668 119.464 118.700 0.160 0.000 2.415 279 N HA 0.321 5.060 4.740 -0.001 0.000 0.246 279 N C 1.693 177.304 175.510 0.168 0.000 1.078 279 N CA 0.413 53.555 53.050 0.153 0.000 0.942 279 N CB 1.184 39.787 38.487 0.193 0.000 1.140 279 N HN 1.332 nan 8.380 nan 0.000 0.501 280 V N 1.819 121.828 119.914 0.158 0.000 2.719 280 V HA 0.222 4.342 4.120 -0.001 0.000 0.252 280 V C 0.726 176.796 176.094 -0.040 0.000 1.065 280 V CA 0.717 63.079 62.300 0.103 0.000 1.086 280 V CB -0.992 30.881 31.823 0.083 0.000 0.700 280 V HN 0.262 nan 8.190 nan 0.000 0.467 281 F N 1.649 121.665 119.950 0.110 0.000 2.380 281 F HA 0.355 4.881 4.527 -0.001 0.000 0.325 281 F C 0.973 176.860 175.800 0.146 0.000 1.136 281 F CA -0.685 57.384 58.000 0.115 0.000 1.171 281 F CB 0.148 39.291 39.000 0.240 0.000 1.230 281 F HN 0.001 nan 8.300 nan 0.000 0.554 282 N N 3.199 122.103 118.700 0.340 0.000 2.411 282 N HA -0.028 4.712 4.740 -0.001 0.000 0.261 282 N C -1.959 173.770 175.510 0.365 0.000 1.248 282 N CA -0.796 52.425 53.050 0.286 0.000 0.885 282 N CB 1.099 39.719 38.487 0.222 0.000 1.062 282 N HN 0.199 nan 8.380 nan 0.000 0.471 283 P HA 0.007 nan 4.420 nan 0.000 0.225 283 P C 1.129 178.485 177.300 0.094 0.000 1.148 283 P CA 0.592 63.842 63.100 0.250 0.000 0.779 283 P CB -0.035 31.812 31.700 0.245 0.000 0.780 284 G N 0.411 109.333 108.800 0.204 0.000 2.516 284 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.221 284 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.221 284 G C 1.545 176.459 174.900 0.023 0.000 1.107 284 G CA 0.488 45.757 45.100 0.280 0.000 0.747 284 G HN 0.327 nan 8.290 nan 0.000 0.567 285 Q N -0.236 119.482 119.800 -0.138 0.000 2.268 285 Q HA -0.275 4.065 4.340 -0.001 0.000 0.210 285 Q C 2.432 178.140 176.000 -0.486 0.000 0.988 285 Q CA 1.868 57.401 55.803 -0.450 0.000 0.883 285 Q CB -0.207 28.430 28.738 -0.168 0.000 0.911 285 Q HN 0.748 nan 8.270 nan 0.000 0.430 286 Q N -0.726 118.521 119.800 -0.922 0.000 2.181 286 Q HA -0.166 4.173 4.340 -0.001 0.000 0.205 286 Q C 0.780 176.212 176.000 -0.946 0.000 0.980 286 Q CA 1.489 56.515 55.803 -1.295 0.000 0.862 286 Q CB 0.017 27.671 28.738 -1.807 0.000 0.905 286 Q HN 0.496 nan 8.270 nan 0.000 0.429 287 F N -0.756 118.847 119.950 -0.578 0.000 2.695 287 F HA 0.216 4.743 4.527 -0.001 0.000 0.303 287 F C 1.515 177.081 175.800 -0.390 0.000 1.091 287 F CA -0.301 57.232 58.000 -0.779 0.000 1.300 287 F CB 0.217 38.377 39.000 -1.400 0.000 1.071 287 F HN 0.020 nan 8.300 nan 0.000 0.578 288 I N -0.089 120.360 120.570 -0.203 0.000 2.208 288 I HA -0.293 3.876 4.170 -0.001 0.000 0.245 288 I C 2.156 178.152 176.117 -0.203 0.000 1.097 288 I CA 1.391 62.525 61.300 -0.277 0.000 1.363 288 I CB -0.215 37.375 38.000 -0.683 0.000 1.051 288 I HN 0.156 nan 8.210 nan 0.000 0.413 289 L N -0.599 120.579 121.223 -0.075 0.000 2.599 289 L HA -0.082 4.258 4.340 -0.001 0.000 0.230 289 L C 1.787 178.725 176.870 0.113 0.000 1.141 289 L CA 1.081 55.910 54.840 -0.019 0.000 0.877 289 L CB -0.617 41.506 42.059 0.106 0.000 1.009 289 L HN 0.120 nan 8.230 nan 0.000 0.447 290 Y N -0.791 119.501 120.300 -0.014 0.000 2.352 290 Y HA -0.234 4.315 4.550 -0.001 0.000 0.292 290 Y C 2.335 178.338 175.900 0.172 0.000 1.136 290 Y CA 1.391 59.547 58.100 0.093 0.000 1.227 290 Y CB -0.515 38.011 38.460 0.111 0.000 0.991 290 Y HN 0.382 nan 8.280 nan 0.000 0.545 291 D N -0.384 120.126 120.400 0.183 0.000 2.117 291 D HA -0.185 4.454 4.640 -0.001 0.000 0.197 291 D C 2.234 178.589 176.300 0.092 0.000 0.987 291 D CA 1.382 55.438 54.000 0.093 0.000 0.829 291 D CB -0.133 40.651 40.800 -0.027 0.000 0.961 291 D HN 0.211 nan 8.370 nan 0.000 0.460 292 A N -0.070 122.739 122.820 -0.017 0.000 1.930 292 A HA -0.064 4.255 4.320 -0.001 0.000 0.217 292 A C 2.365 180.000 177.584 0.085 0.000 1.175 292 A CA 0.994 52.993 52.037 -0.063 0.000 0.627 292 A CB -0.732 18.034 19.000 -0.390 0.000 0.815 292 A HN 0.388 nan 8.150 nan 0.000 0.443 293 I N -2.006 118.629 120.570 0.107 0.000 2.226 293 I HA -0.282 3.888 4.170 -0.001 0.000 0.245 293 I C 2.290 178.540 176.117 0.221 0.000 1.100 293 I CA 1.393 62.753 61.300 0.100 0.000 1.374 293 I CB -0.371 37.585 38.000 -0.073 0.000 1.057 293 I HN 0.383 nan 8.210 nan 0.000 0.413 294 Y N 0.791 121.217 120.300 0.210 0.000 2.242 294 Y HA -0.182 4.367 4.550 -0.001 0.000 0.291 294 Y C 2.288 178.221 175.900 0.056 0.000 1.137 294 Y CA 1.302 59.527 58.100 0.209 0.000 1.181 294 Y CB -0.216 38.310 38.460 0.111 0.000 0.989 294 Y HN -0.026 nan 8.280 nan 0.000 0.527 295 K N 0.425 120.929 120.400 0.173 0.000 2.525 295 K HA -0.035 4.284 4.320 -0.001 0.000 0.192 295 K C 0.474 177.089 176.600 0.025 0.000 1.029 295 K CA -0.037 56.287 56.287 0.063 0.000 1.029 295 K CB 0.031 32.553 32.500 0.037 0.000 0.814 295 K HN 0.006 nan 8.250 nan 0.000 0.503 296 R N 1.751 122.292 120.500 0.067 0.000 2.248 296 R HA 0.089 4.428 4.340 -0.001 0.000 0.328 296 R C -0.806 175.464 176.300 -0.049 0.000 1.067 296 R CA -0.342 55.779 56.100 0.036 0.000 0.924 296 R CB 0.440 30.803 30.300 0.107 0.000 1.013 296 R HN 0.005 nan 8.270 nan 0.000 0.454 297 R N 4.664 125.058 120.500 -0.177 0.000 2.532 297 R HA 0.340 4.679 4.340 -0.001 0.000 0.272 297 R C -2.006 174.223 176.300 -0.118 0.000 1.032 297 R CA -1.903 53.999 56.100 -0.331 0.000 1.089 297 R CB 0.163 29.889 30.300 -0.957 0.000 1.098 297 R HN 0.387 nan 8.270 nan 0.000 0.526 298 P HA -0.203 nan 4.420 nan 0.000 0.219 298 P C -0.089 177.241 177.300 0.051 0.000 1.144 298 P CA 1.373 64.509 63.100 0.060 0.000 0.806 298 P CB -0.011 31.756 31.700 0.113 0.000 0.771 299 D N -2.260 118.164 120.400 0.039 0.000 2.325 299 D HA 0.130 4.770 4.640 -0.001 0.000 0.225 299 D C 1.367 177.665 176.300 -0.003 0.000 1.096 299 D CA 0.211 54.233 54.000 0.037 0.000 0.844 299 D CB -1.022 39.820 40.800 0.071 0.000 0.925 299 D HN 0.177 nan 8.370 nan 0.000 0.513 300 G N -0.340 108.446 108.800 -0.024 0.000 2.184 300 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.264 300 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.264 300 G C 0.248 175.078 174.900 -0.117 0.000 0.975 300 G CA 0.202 45.260 45.100 -0.069 0.000 0.642 300 G HN 0.404 nan 8.290 nan 0.000 0.536 301 Q N -0.353 119.400 119.800 -0.080 0.000 2.185 301 Q HA 0.697 5.037 4.340 -0.001 0.000 0.225 301 Q C 0.496 176.458 176.000 -0.063 0.000 0.983 301 Q CA -0.477 55.284 55.803 -0.069 0.000 0.950 301 Q CB 1.203 29.935 28.738 -0.011 0.000 1.176 301 Q HN 0.308 nan 8.270 nan 0.000 0.510 302 I N 1.478 122.036 120.570 -0.020 0.000 2.530 302 I HA 0.221 4.390 4.170 -0.001 0.000 0.297 302 I C 0.173 176.304 176.117 0.023 0.000 1.011 302 I CA -1.162 60.149 61.300 0.019 0.000 1.107 302 I CB 1.085 39.153 38.000 0.113 0.000 1.285 302 I HN 0.486 nan 8.210 nan 0.000 0.436 303 L N 4.107 125.327 121.223 -0.005 0.000 2.543 303 L HA 0.081 4.420 4.340 -0.001 0.000 0.285 303 L C 0.861 177.766 176.870 0.058 0.000 1.236 303 L CA 0.601 55.452 54.840 0.019 0.000 0.871 303 L CB 0.377 42.432 42.059 -0.007 0.000 1.121 303 L HN 0.819 nan 8.230 nan 0.000 0.501 304 A N 2.712 125.601 122.820 0.115 0.000 2.366 304 A HA 0.670 4.990 4.320 -0.001 0.000 0.249 304 A C 0.319 177.923 177.584 0.033 0.000 1.084 304 A CA 0.381 52.505 52.037 0.146 0.000 0.794 304 A CB 0.179 19.358 19.000 0.298 0.000 1.034 304 A HN 1.053 nan 8.150 nan 0.000 0.491 305 G N -0.752 108.045 108.800 -0.004 0.000 2.219 305 G HA2 0.651 4.611 3.960 -0.001 0.000 0.304 305 G HA3 0.651 4.611 3.960 -0.001 0.000 0.304 305 G C 0.160 174.927 174.900 -0.221 0.000 1.712 305 G CA 0.448 45.468 45.100 -0.134 0.000 0.905 305 G HN 2.596 nan 8.290 nan 0.000 0.706 306 G N 1.579 110.090 108.800 -0.481 0.000 2.692 306 G HA2 -0.042 3.917 3.960 -0.001 0.000 0.248 306 G HA3 -0.042 3.917 3.960 -0.001 0.000 0.248 306 G C -0.236 174.313 174.900 -0.585 0.000 1.340 306 G CA 0.126 44.728 45.100 -0.829 0.000 0.896 306 G HN 1.084 nan 8.290 nan 0.000 0.570 307 D N 1.239 121.483 120.400 -0.261 0.000 2.385 307 D HA 0.374 5.014 4.640 -0.001 0.000 0.260 307 D C 0.854 177.129 176.300 -0.042 0.000 1.326 307 D CA 1.092 55.115 54.000 0.040 0.000 1.023 307 D CB 0.244 40.869 40.800 -0.292 0.000 1.083 307 D HN 1.115 nan 8.370 nan 0.000 0.517 308 V N -0.345 119.706 119.914 0.228 0.000 2.914 308 V HA 0.629 4.749 4.120 -0.001 0.000 0.314 308 V C -0.147 175.841 176.094 -0.177 0.000 1.084 308 V CA -1.031 61.252 62.300 -0.028 0.000 0.963 308 V CB 2.804 34.560 31.823 -0.111 0.000 1.025 308 V HN -0.033 nan 8.190 nan 0.000 0.432 309 D N 0.484 120.709 120.400 -0.292 0.000 2.442 309 D HA 0.683 5.322 4.640 -0.001 0.000 0.254 309 D C -1.270 174.650 176.300 -0.633 0.000 1.069 309 D CA 0.069 53.829 54.000 -0.400 0.000 1.017 309 D CB 1.644 42.395 40.800 -0.082 0.000 1.172 309 D HN 0.676 nan 8.370 nan 0.000 0.561 310 Y N -0.734 119.613 120.300 0.079 0.000 2.536 310 Y HA 0.599 5.149 4.550 -0.001 0.000 0.347 310 Y C 0.154 176.081 175.900 0.045 0.000 1.000 310 Y CA -0.880 57.259 58.100 0.066 0.000 1.051 310 Y CB 2.187 40.698 38.460 0.085 0.000 1.259 310 Y HN 0.146 nan 8.280 nan 0.000 0.468 311 S N 0.766 116.575 115.700 0.182 0.000 2.547 311 S HA 0.571 5.040 4.470 -0.001 0.000 0.270 311 S C -0.624 174.025 174.600 0.082 0.000 1.150 311 S CA -0.854 57.408 58.200 0.103 0.000 0.850 311 S CB 1.235 64.465 63.200 0.050 0.000 1.118 311 S HN 0.728 nan 8.310 nan 0.000 0.461 312 R N 1.923 122.460 120.500 0.062 0.000 2.549 312 R HA 0.280 4.619 4.340 -0.001 0.000 0.344 312 R C 0.930 177.247 176.300 0.030 0.000 0.979 312 R CA -0.147 55.981 56.100 0.047 0.000 1.140 312 R CB 0.009 30.342 30.300 0.054 0.000 1.377 312 R HN 0.544 nan 8.270 nan 0.000 0.541 313 K N 0.970 121.386 120.400 0.026 0.000 1.980 313 K HA -0.032 4.287 4.320 -0.001 0.000 0.208 313 K C 0.283 176.892 176.600 0.014 0.000 1.043 313 K CA 1.306 57.606 56.287 0.022 0.000 0.938 313 K CB 0.127 32.642 32.500 0.025 0.000 0.724 313 K HN -0.234 nan 8.250 nan 0.000 0.438 314 K N 0.436 120.837 120.400 0.002 0.000 2.316 314 K HA 0.316 4.636 4.320 -0.001 0.000 0.251 314 K C -2.763 173.780 176.600 -0.096 0.000 0.934 314 K CA -2.472 53.809 56.287 -0.010 0.000 0.802 314 K CB 1.667 34.184 32.500 0.029 0.000 1.171 314 K HN -0.217 nan 8.250 nan 0.000 0.426 315 P HA -0.006 nan 4.420 nan 0.000 0.268 315 P C -1.231 175.641 177.300 -0.713 0.000 1.208 315 P CA -0.209 62.642 63.100 -0.416 0.000 0.777 315 P CB 0.452 31.863 31.700 -0.480 0.000 0.875 316 K N 2.423 122.461 120.400 -0.604 0.000 2.201 316 K HA 0.324 4.643 4.320 -0.001 0.000 0.278 316 K C -1.132 175.024 176.600 -0.739 0.000 1.027 316 K CA -0.263 55.684 56.287 -0.567 0.000 0.909 316 K CB 0.212 32.499 32.500 -0.355 0.000 1.062 316 K HN 0.347 nan 8.250 nan 0.000 0.465 317 Y N 2.415 122.533 120.300 -0.303 0.000 2.524 317 Y HA 0.301 4.851 4.550 -0.001 0.000 0.344 317 Y C -0.751 174.893 175.900 -0.427 0.000 1.012 317 Y CA -0.898 57.050 58.100 -0.254 0.000 1.068 317 Y CB 1.476 39.868 38.460 -0.112 0.000 1.249 317 Y HN 0.451 nan 8.280 nan 0.000 0.468 318 Y N 0.544 120.984 120.300 0.233 0.000 2.631 318 Y HA 0.247 4.797 4.550 -0.001 0.000 0.361 318 Y C 0.611 176.632 175.900 0.200 0.000 0.941 318 Y CA -0.864 57.344 58.100 0.181 0.000 1.327 318 Y CB 0.088 38.637 38.460 0.149 0.000 1.299 318 Y HN 0.604 nan 8.280 nan 0.000 0.578 322 A N 0.445 123.396 122.820 0.219 0.000 1.898 322 A HA -0.049 4.270 4.320 -0.001 0.000 0.216 322 A C 2.080 179.746 177.584 0.136 0.000 1.181 322 A CA 1.760 53.935 52.037 0.230 0.000 0.620 322 A CB -0.749 18.441 19.000 0.317 0.000 0.819 322 A HN 0.196 nan 8.150 nan 0.000 0.442 323 L N -0.059 121.203 121.223 0.066 0.000 1.989 323 L HA -0.139 4.200 4.340 -0.001 0.000 0.211 323 L C 2.294 179.079 176.870 -0.140 0.000 1.071 323 L CA 1.897 56.554 54.840 -0.304 0.000 0.749 323 L CB -0.534 41.290 42.059 -0.391 0.000 0.890 323 L HN 0.401 nan 8.230 nan 0.000 0.431 324 L N -0.828 120.360 121.223 -0.057 0.000 2.044 324 L HA -0.112 4.228 4.340 -0.001 0.000 0.205 324 L C 2.658 179.710 176.870 0.304 0.000 1.075 324 L CA 1.152 56.031 54.840 0.065 0.000 0.747 324 L CB -0.962 41.029 42.059 -0.113 0.000 0.903 324 L HN 0.386 nan 8.230 nan 0.000 0.435 325 A N 0.301 123.202 122.820 0.135 0.000 1.897 325 A HA -0.059 4.261 4.320 -0.001 0.000 0.215 325 A C 2.393 180.148 177.584 0.285 0.000 1.181 325 A CA 1.489 53.658 52.037 0.221 0.000 0.620 325 A CB -1.221 17.872 19.000 0.155 0.000 0.821 325 A HN 0.421 nan 8.150 nan 0.000 0.443 326 G N -0.562 108.350 108.800 0.187 0.000 2.446 326 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.217 326 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.217 326 G C 1.805 176.793 174.900 0.146 0.000 1.168 326 G CA 1.418 46.609 45.100 0.153 0.000 0.771 326 G HN 0.493 nan 8.290 nan 0.000 0.551 327 S N -0.800 114.999 115.700 0.165 0.000 2.414 327 S HA -0.002 4.468 4.470 -0.001 0.000 0.227 327 S C 1.884 176.639 174.600 0.258 0.000 1.022 327 S CA 0.646 58.969 58.200 0.205 0.000 0.958 327 S CB -0.289 63.030 63.200 0.198 0.000 0.797 327 S HN 0.501 nan 8.310 nan 0.000 0.493 328 Y N 0.853 121.220 120.300 0.113 0.000 2.153 328 Y HA -0.115 4.435 4.550 -0.001 0.000 0.289 328 Y C 1.571 177.187 175.900 -0.473 0.000 1.127 328 Y CA 1.461 59.260 58.100 -0.502 0.000 1.131 328 Y CB -0.208 37.646 38.460 -1.010 0.000 0.995 328 Y HN 0.226 nan 8.280 nan 0.000 0.505 329 Y N 0.035 120.341 120.300 0.009 0.000 2.511 329 Y HA 0.145 4.695 4.550 -0.001 0.000 0.279 329 Y C 0.486 176.345 175.900 -0.068 0.000 1.157 329 Y CA 0.193 58.263 58.100 -0.051 0.000 1.300 329 Y CB -0.034 38.399 38.460 -0.046 0.000 1.052 329 Y HN -0.103 nan 8.280 nan 0.000 0.529 330 K N 1.450 121.890 120.400 0.066 0.000 3.393 330 K HA -0.212 4.108 4.320 -0.001 0.000 0.272 330 K C -1.223 175.422 176.600 0.075 0.000 1.004 330 K CA 0.762 57.074 56.287 0.042 0.000 0.764 330 K CB -1.202 31.294 32.500 -0.006 0.000 1.373 330 K HN 0.214 nan 8.250 nan 0.000 0.458 331 D N 0.542 121.005 120.400 0.105 0.000 2.344 331 D HA 0.157 4.797 4.640 -0.001 0.000 0.239 331 D C 0.522 176.878 176.300 0.093 0.000 1.064 331 D CA -0.382 53.693 54.000 0.124 0.000 0.829 331 D CB 0.969 41.864 40.800 0.158 0.000 1.129 331 D HN 0.300 nan 8.370 nan 0.000 0.506 332 E N 2.393 122.604 120.200 0.017 0.000 2.158 332 E HA -0.119 4.230 4.350 -0.001 0.000 0.191 332 E C 1.077 177.620 176.600 -0.094 0.000 0.982 332 E CA 0.571 56.927 56.400 -0.073 0.000 0.823 332 E CB 0.222 29.809 29.700 -0.188 0.000 0.766 332 E HN 0.611 nan 8.360 nan 0.000 0.468 333 Y N 1.041 121.329 120.300 -0.020 0.000 2.181 333 Y HA -0.201 4.349 4.550 -0.001 0.000 0.288 333 Y C 2.247 178.123 175.900 -0.040 0.000 1.146 333 Y CA 0.849 58.871 58.100 -0.129 0.000 1.164 333 Y CB -0.118 38.129 38.460 -0.356 0.000 0.982 333 Y HN 0.006 nan 8.280 nan 0.000 0.515 334 L N -0.380 120.935 121.223 0.152 0.000 2.109 334 L HA -0.192 4.148 4.340 -0.001 0.000 0.207 334 L C 2.293 179.284 176.870 0.201 0.000 1.086 334 L CA 1.169 56.105 54.840 0.159 0.000 0.760 334 L CB -0.588 41.571 42.059 0.168 0.000 0.910 334 L HN 0.375 nan 8.230 nan 0.000 0.437 335 N N -0.163 118.643 118.700 0.177 0.000 2.223 335 N HA -0.258 4.482 4.740 -0.001 0.000 0.185 335 N C 2.057 177.710 175.510 0.239 0.000 1.016 335 N CA 1.048 54.217 53.050 0.197 0.000 0.863 335 N CB 0.046 38.608 38.487 0.124 0.000 0.983 335 N HN 0.271 nan 8.380 nan 0.000 0.429 336 Y N 1.826 122.168 120.300 0.071 0.000 2.181 336 Y HA -0.222 4.328 4.550 -0.001 0.000 0.288 336 Y C 2.418 178.360 175.900 0.070 0.000 1.146 336 Y CA 1.876 60.001 58.100 0.041 0.000 1.164 336 Y CB -0.265 38.184 38.460 -0.017 0.000 0.982 336 Y HN 0.087 nan 8.280 nan 0.000 0.515 337 E N -0.086 120.262 120.200 0.247 0.000 2.110 337 E HA -0.243 4.106 4.350 -0.001 0.000 0.193 337 E C 1.932 178.616 176.600 0.140 0.000 0.988 337 E CA 1.549 58.066 56.400 0.196 0.000 0.804 337 E CB -0.760 29.084 29.700 0.242 0.000 0.745 337 E HN 0.553 nan 8.360 nan 0.000 0.458 338 F N 0.449 120.418 119.950 0.031 0.000 2.113 338 F HA -0.035 4.492 4.527 -0.001 0.000 0.297 338 F C 1.598 177.343 175.800 -0.092 0.000 1.103 338 F CA 1.303 59.300 58.000 -0.006 0.000 1.248 338 F CB -0.204 38.805 39.000 0.015 0.000 0.999 338 F HN 0.012 nan 8.300 nan 0.000 0.475 339 L N 0.308 121.391 121.223 -0.234 0.000 2.551 339 L HA -0.116 4.223 4.340 -0.001 0.000 0.228 339 L C 2.204 178.820 176.870 -0.424 0.000 1.153 339 L CA 0.598 55.213 54.840 -0.376 0.000 0.851 339 L CB -0.678 41.290 42.059 -0.151 0.000 0.959 339 L HN 0.142 nan 8.230 nan 0.000 0.451 340 K N 0.327 120.481 120.400 -0.410 0.000 2.009 340 K HA -0.172 4.148 4.320 -0.001 0.000 0.210 340 K C 0.465 176.767 176.600 -0.497 0.000 1.049 340 K CA 1.500 57.580 56.287 -0.346 0.000 0.929 340 K CB -0.021 32.407 32.500 -0.120 0.000 0.714 340 K HN 0.110 nan 8.250 nan 0.000 0.440 341 D N -0.299 119.653 120.400 -0.747 0.000 2.378 341 D HA 0.116 4.756 4.640 -0.001 0.000 0.265 341 D C -2.562 173.307 176.300 -0.719 0.000 1.229 341 D CA -2.044 51.448 54.000 -0.846 0.000 0.914 341 D CB 1.179 41.041 40.800 -1.563 0.000 1.140 341 D HN -0.108 nan 8.370 nan 0.000 0.516 342 P HA 0.219 nan 4.420 nan 0.000 0.226 342 P C -1.031 176.021 177.300 -0.414 0.000 1.758 342 P CA -0.340 62.202 63.100 -0.931 0.000 0.896 342 P CB -0.172 31.093 31.700 -0.724 0.000 1.784 343 N N 0.921 119.440 118.700 -0.301 0.000 2.531 343 N HA 0.206 4.946 4.740 -0.001 0.000 0.268 343 N C -0.016 175.471 175.510 -0.040 0.000 1.023 343 N CA -0.491 52.484 53.050 -0.125 0.000 0.896 343 N CB 2.937 41.346 38.487 -0.130 0.000 1.233 343 N HN -0.024 nan 8.380 nan 0.000 0.512 344 V N -0.788 119.148 119.914 0.036 0.000 2.997 344 V HA 0.428 4.547 4.120 -0.001 0.000 0.311 344 V C 0.713 176.831 176.094 0.040 0.000 1.066 344 V CA -0.734 61.607 62.300 0.068 0.000 1.039 344 V CB 1.271 33.151 31.823 0.096 0.000 1.081 344 V HN 0.379 nan 8.190 nan 0.000 0.467 345 E N 2.543 122.773 120.200 0.051 0.000 2.414 345 E HA 0.101 4.451 4.350 -0.001 0.000 0.263 345 E C -1.715 174.889 176.600 0.008 0.000 1.000 345 E CA -1.113 55.331 56.400 0.073 0.000 0.914 345 E CB 1.025 30.817 29.700 0.153 0.000 0.948 345 E HN 0.560 nan 8.360 nan 0.000 0.444 346 P HA -0.222 nan 4.420 nan 0.000 0.218 346 P C 0.971 178.269 177.300 -0.003 0.000 1.154 346 P CA 1.780 64.885 63.100 0.008 0.000 0.872 346 P CB -0.084 31.627 31.700 0.019 0.000 0.790 347 H N -3.261 115.758 119.070 -0.084 0.000 2.559 347 H HA 0.088 4.644 4.556 -0.001 0.000 0.273 347 H C 0.772 176.080 175.328 -0.033 0.000 1.000 347 H CA 0.662 56.641 56.048 -0.115 0.000 1.195 347 H CB -0.990 28.624 29.762 -0.247 0.000 1.368 347 H HN 0.070 nan 8.280 nan 0.000 0.592 348 C N 0.745 119.810 119.300 -0.391 0.000 3.183 348 C HA 0.224 4.683 4.460 -0.001 0.000 0.285 348 C C 1.943 176.922 174.990 -0.019 0.000 1.313 348 C CA -0.556 58.392 59.018 -0.116 0.000 1.711 348 C CB -0.054 27.576 27.740 -0.182 0.000 2.135 348 C HN 0.499 nan 8.230 nan 0.000 0.651 349 K N 1.262 121.615 120.400 -0.078 0.000 2.097 349 K HA -0.098 4.221 4.320 -0.001 0.000 0.206 349 K C 1.800 178.345 176.600 -0.091 0.000 1.049 349 K CA 1.016 57.267 56.287 -0.061 0.000 0.933 349 K CB -0.453 32.001 32.500 -0.076 0.000 0.717 349 K HN 0.399 nan 8.250 nan 0.000 0.442 350 L N 0.443 121.524 121.223 -0.236 0.000 2.046 350 L HA -0.088 4.251 4.340 -0.001 0.000 0.208 350 L C 2.030 178.608 176.870 -0.486 0.000 1.077 350 L CA 1.524 56.155 54.840 -0.349 0.000 0.747 350 L CB -0.545 41.168 42.059 -0.576 0.000 0.896 350 L HN 0.008 nan 8.230 nan 0.000 0.432 351 F N -0.175 119.523 119.950 -0.419 0.000 2.186 351 F HA -0.143 4.384 4.527 -0.001 0.000 0.299 351 F C 2.568 178.014 175.800 -0.590 0.000 1.090 351 F CA 1.388 58.890 58.000 -0.829 0.000 1.307 351 F CB -0.450 38.067 39.000 -0.805 0.000 1.019 351 F HN 0.225 nan 8.300 nan 0.000 0.489 352 E N 0.346 120.464 120.200 -0.136 0.000 2.077 352 E HA -0.266 4.084 4.350 -0.001 0.000 0.193 352 E C 2.167 178.721 176.600 -0.076 0.000 0.989 352 E CA 1.305 57.647 56.400 -0.098 0.000 0.800 352 E CB -0.329 29.374 29.700 0.005 0.000 0.746 352 E HN 0.383 nan 8.360 nan 0.000 0.452 353 F N 1.270 121.129 119.950 -0.152 0.000 2.069 353 F HA -0.180 4.346 4.527 -0.001 0.000 0.298 353 F C 1.925 177.656 175.800 -0.114 0.000 1.113 353 F CA 1.560 59.507 58.000 -0.088 0.000 1.214 353 F CB -0.202 38.783 39.000 -0.026 0.000 0.978 353 F HN 0.005 nan 8.300 nan 0.000 0.474 354 L N -1.595 119.495 121.223 -0.222 0.000 2.093 354 L HA -0.183 4.157 4.340 -0.001 0.000 0.208 354 L C 1.837 178.641 176.870 -0.111 0.000 1.085 354 L CA 0.841 55.523 54.840 -0.264 0.000 0.755 354 L CB -0.602 41.237 42.059 -0.366 0.000 0.904 354 L HN 0.287 nan 8.230 nan 0.000 0.435 355 W N -0.697 120.414 121.300 -0.315 0.000 2.901 355 W HA 0.250 4.910 4.660 -0.001 0.000 0.281 355 W C 1.274 177.523 176.519 -0.449 0.000 1.167 355 W CA -0.859 56.147 57.345 -0.565 0.000 1.506 355 W CB -0.332 28.364 29.460 -1.274 0.000 0.985 355 W HN -0.051 nan 8.180 nan 0.000 0.590 356 R N 2.666 123.075 120.500 -0.151 0.000 2.538 356 R HA -0.042 4.297 4.340 -0.001 0.000 0.282 356 R C -0.168 176.080 176.300 -0.087 0.000 1.009 356 R CA 0.576 56.578 56.100 -0.164 0.000 1.063 356 R CB 0.232 30.426 30.300 -0.177 0.000 0.945 356 R HN -0.263 nan 8.270 nan 0.000 0.414 357 D N 3.145 123.509 120.400 -0.059 0.000 2.428 357 D HA 0.015 4.654 4.640 -0.001 0.000 0.221 357 D C 0.693 176.973 176.300 -0.033 0.000 1.123 357 D CA -0.091 53.895 54.000 -0.023 0.000 0.869 357 D CB 1.365 42.173 40.800 0.013 0.000 1.032 357 D HN 0.700 nan 8.370 nan 0.000 0.506 358 T N 0.812 115.349 114.554 -0.028 0.000 3.100 358 T HA -0.037 4.313 4.350 -0.001 0.000 0.253 358 T C 1.113 175.814 174.700 0.001 0.000 1.118 358 T CA 0.384 62.480 62.100 -0.005 0.000 1.058 358 T CB 0.282 69.146 68.868 -0.007 0.000 0.953 358 T HN 0.163 nan 8.240 nan 0.000 0.515 359 Q N 0.245 120.042 119.800 -0.006 0.000 2.391 359 Q HA 0.363 4.702 4.340 -0.001 0.000 0.211 359 Q C 0.691 176.691 176.000 0.000 0.000 0.908 359 Q CA -0.118 55.682 55.803 -0.005 0.000 0.920 359 Q CB -0.326 28.405 28.738 -0.012 0.000 1.056 359 Q HN 0.483 nan 8.270 nan 0.000 0.523 360 L N 1.795 123.020 121.223 0.003 0.000 2.540 360 L HA 0.208 4.548 4.340 -0.001 0.000 0.276 360 L C 0.702 177.581 176.870 0.015 0.000 1.212 360 L CA 0.354 55.198 54.840 0.008 0.000 0.893 360 L CB 0.391 42.458 42.059 0.013 0.000 1.138 360 L HN 0.131 nan 8.230 nan 0.000 0.491 361 G N 3.135 111.938 108.800 0.004 0.000 2.611 361 G HA2 0.480 4.439 3.960 -0.001 0.000 0.273 361 G HA3 0.480 4.439 3.960 -0.001 0.000 0.273 361 G C -0.814 174.093 174.900 0.012 0.000 1.305 361 G CA 0.084 45.186 45.100 0.003 0.000 1.010 361 G HN 0.994 nan 8.290 nan 0.000 0.509 362 S N -1.364 114.346 115.700 0.016 0.000 2.541 362 S HA 0.710 5.180 4.470 -0.001 0.000 0.280 362 S C -0.774 173.811 174.600 -0.025 0.000 1.112 362 S CA -0.976 57.261 58.200 0.063 0.000 0.925 362 S CB 2.378 65.689 63.200 0.184 0.000 1.067 362 S HN 0.626 nan 8.310 nan 0.000 0.479 363 R N 1.750 122.144 120.500 -0.177 0.000 2.476 363 R HA 0.371 4.711 4.340 -0.001 0.000 0.305 363 R C -0.432 175.443 176.300 -0.708 0.000 0.965 363 R CA -0.803 55.007 56.100 -0.483 0.000 0.867 363 R CB 1.948 31.660 30.300 -0.980 0.000 1.176 363 R HN 0.843 nan 8.270 nan 0.000 0.447 364 K N 3.354 123.240 120.400 -0.856 0.000 2.380 364 K HA 0.143 4.463 4.320 -0.001 0.000 0.267 364 K C -1.907 174.353 176.600 -0.568 0.000 0.990 364 K CA -1.183 54.456 56.287 -1.079 0.000 0.946 364 K CB 0.682 32.783 32.500 -0.665 0.000 0.937 364 K HN 0.226 nan 8.250 nan 0.000 0.491 365 P HA -0.013 nan 4.420 nan 0.000 0.249 365 P C -0.522 175.986 177.300 -1.319 0.000 1.241 365 P CA 0.451 62.998 63.100 -0.922 0.000 0.781 365 P CB 0.137 31.104 31.700 -1.221 0.000 1.088 366 D N 0.724 120.664 120.400 -0.767 0.000 2.269 366 D HA -0.120 4.519 4.640 -0.001 0.000 0.208 366 D C 1.384 177.534 176.300 -0.250 0.000 0.963 366 D CA 1.068 54.738 54.000 -0.550 0.000 0.864 366 D CB -0.335 40.358 40.800 -0.178 0.000 0.936 366 D HN 0.333 nan 8.370 nan 0.000 0.505 367 D N -0.011 120.276 120.400 -0.189 0.000 2.349 367 D HA -0.041 4.598 4.640 -0.001 0.000 0.214 367 D C 0.466 176.772 176.300 0.011 0.000 1.063 367 D CA -0.149 53.841 54.000 -0.018 0.000 0.847 367 D CB -0.249 40.568 40.800 0.028 0.000 0.933 367 D HN 0.179 nan 8.370 nan 0.000 0.513 368 L N 0.999 122.146 121.223 -0.126 0.000 2.426 368 L HA 0.242 4.582 4.340 -0.001 0.000 0.271 368 L C -1.972 175.067 176.870 0.281 0.000 1.169 368 L CA -1.711 53.123 54.840 -0.011 0.000 0.836 368 L CB 0.227 42.128 42.059 -0.264 0.000 1.112 368 L HN -0.249 nan 8.230 nan 0.000 0.465 369 P HA -0.025 nan 4.420 nan 0.000 0.267 369 P C 0.616 178.066 177.300 0.250 0.000 1.200 369 P CA 0.063 63.283 63.100 0.200 0.000 0.772 369 P CB 0.506 32.278 31.700 0.119 0.000 0.855 370 L N -0.045 121.210 121.223 0.053 0.000 2.376 370 L HA -0.008 4.332 4.340 -0.001 0.000 0.219 370 L C 0.835 177.631 176.870 -0.124 0.000 1.133 370 L CA 1.252 56.050 54.840 -0.069 0.000 0.816 370 L CB -0.200 41.780 42.059 -0.131 0.000 0.933 370 L HN 0.340 nan 8.230 nan 0.000 0.449 371 S N -0.755 114.748 115.700 -0.329 0.000 2.536 371 S HA 0.627 5.097 4.470 -0.001 0.000 0.298 371 S C -0.562 173.681 174.600 -0.595 0.000 1.083 371 S CA -0.600 57.284 58.200 -0.528 0.000 0.995 371 S CB 2.761 65.486 63.200 -0.793 0.000 1.058 371 S HN 0.150 nan 8.310 nan 0.000 0.488 372 R N 1.452 121.677 120.500 -0.459 0.000 2.604 372 R HA 0.412 4.751 4.340 -0.001 0.000 0.281 372 R C -2.222 174.047 176.300 -0.052 0.000 1.020 372 R CA -0.597 55.299 56.100 -0.340 0.000 0.899 372 R CB 1.201 31.023 30.300 -0.797 0.000 1.205 372 R HN 0.686 nan 8.270 nan 0.000 0.450 373 Y N 2.073 122.372 120.300 -0.002 0.000 2.352 373 Y HA 0.471 5.021 4.550 -0.001 0.000 0.339 373 Y C -1.208 174.692 175.900 -0.000 0.000 0.992 373 Y CA -0.464 57.663 58.100 0.045 0.000 1.100 373 Y CB 2.070 40.603 38.460 0.123 0.000 1.192 373 Y HN 0.507 nan 8.280 nan 0.000 0.458 374 S N 4.857 120.150 115.700 -0.680 0.000 2.448 374 S HA 0.556 5.025 4.470 -0.001 0.000 0.320 374 S C 0.407 174.352 174.600 -1.092 0.000 1.071 374 S CA -0.452 57.342 58.200 -0.676 0.000 1.113 374 S CB 0.926 63.888 63.200 -0.396 0.000 0.972 374 S HN 1.054 nan 8.310 nan 0.000 0.465 375 G N 1.869 110.126 108.800 -0.905 0.000 2.489 375 G HA2 0.348 4.308 3.960 -0.001 0.000 0.271 375 G HA3 0.348 4.308 3.960 -0.001 0.000 0.271 375 G C -0.090 174.608 174.900 -0.337 0.000 1.427 375 G CA -0.683 44.086 45.100 -0.552 0.000 1.057 375 G HN 0.618 nan 8.290 nan 0.000 0.532 376 S N 1.576 117.136 115.700 -0.233 0.000 2.593 376 S HA 0.138 4.608 4.470 -0.001 0.000 0.300 376 S C -1.561 172.681 174.600 -0.597 0.000 1.267 376 S CA -0.081 57.929 58.200 -0.317 0.000 1.065 376 S CB 1.074 64.153 63.200 -0.200 0.000 0.807 376 S HN 0.458 nan 8.310 nan 0.000 0.499 377 P HA 0.254 nan 4.420 nan 0.000 0.249 377 P C -0.093 176.784 177.300 -0.707 0.000 1.583 377 P CA 0.080 62.762 63.100 -0.696 0.000 0.988 377 P CB -0.079 31.105 31.700 -0.860 0.000 1.530 378 F N 0.136 119.787 119.950 -0.498 0.000 2.389 378 F HA 0.405 4.931 4.527 -0.001 0.000 0.275 378 F C 1.680 177.114 175.800 -0.609 0.000 1.009 378 F CA 0.653 58.102 58.000 -0.918 0.000 1.187 378 F CB -0.985 37.041 39.000 -1.624 0.000 1.139 378 F HN -0.008 nan 8.300 nan 0.000 0.613 379 G N 0.818 109.463 108.800 -0.258 0.000 2.353 379 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.294 379 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.294 379 G C -0.715 174.362 174.900 0.295 0.000 1.077 379 G CA -0.312 44.827 45.100 0.065 0.000 1.098 379 G HN 0.154 nan 8.290 nan 0.000 0.511 383 A N 7.423 130.021 122.820 -0.370 0.000 2.331 383 A HA 0.973 5.292 4.320 -0.001 0.000 0.320 383 A C -0.564 176.666 177.584 -0.591 0.000 1.138 383 A CA -0.590 51.087 52.037 -0.601 0.000 0.790 383 A CB 1.137 19.462 19.000 -1.126 0.000 1.206 383 A HN 0.721 nan 8.150 nan 0.000 0.470 384 R N 0.278 120.527 120.500 -0.419 0.000 2.892 384 R HA 0.611 4.950 4.340 -0.001 0.000 0.265 384 R C 0.648 176.843 176.300 -0.175 0.000 1.025 384 R CA -0.006 55.897 56.100 -0.328 0.000 0.982 384 R CB 1.778 31.759 30.300 -0.531 0.000 1.185 384 R HN 0.777 nan 8.270 nan 0.000 0.484 385 T N -2.806 111.701 114.554 -0.078 0.000 3.001 385 T HA 0.358 4.707 4.350 -0.001 0.000 0.251 385 T C 0.757 175.421 174.700 -0.060 0.000 1.040 385 T CA 0.179 62.285 62.100 0.010 0.000 0.985 385 T CB 0.731 69.659 68.868 0.101 0.000 1.011 385 T HN 0.695 nan 8.240 nan 0.000 0.509 386 G N -0.451 108.233 108.800 -0.193 0.000 2.427 386 G HA2 0.419 4.378 3.960 -0.001 0.000 0.306 386 G HA3 0.419 4.378 3.960 -0.001 0.000 0.306 386 G C -1.531 173.116 174.900 -0.422 0.000 1.280 386 G CA -0.828 44.158 45.100 -0.191 0.000 0.837 386 G HN 0.156 nan 8.290 nan 0.000 0.482 387 W N 0.171 121.471 121.300 -0.001 0.000 2.871 387 W HA 0.468 5.127 4.660 -0.001 0.000 0.340 387 W C 1.408 177.931 176.519 0.007 0.000 1.058 387 W CA 0.292 57.621 57.345 -0.027 0.000 1.633 387 W CB 0.990 30.407 29.460 -0.072 0.000 1.067 387 W HN 0.789 nan 8.180 nan 0.000 0.554 388 G N 1.084 109.998 108.800 0.190 0.000 2.535 388 G HA2 0.198 4.157 3.960 -0.001 0.000 0.282 388 G HA3 0.198 4.157 3.960 -0.001 0.000 0.282 388 G C -1.649 173.323 174.900 0.120 0.000 1.350 388 G CA -0.608 44.578 45.100 0.143 0.000 1.039 388 G HN -0.227 nan 8.290 nan 0.000 0.509 389 P HA 0.040 nan 4.420 nan 0.000 0.226 389 P C 0.806 178.147 177.300 0.067 0.000 1.153 389 P CA 0.754 63.903 63.100 0.082 0.000 0.777 389 P CB 0.338 32.073 31.700 0.058 0.000 0.794 390 E N -0.524 119.734 120.200 0.095 0.000 2.349 390 E HA 0.158 4.508 4.350 -0.001 0.000 0.201 390 E C -0.180 176.593 176.600 0.290 0.000 1.087 390 E CA 0.073 56.559 56.400 0.144 0.000 1.128 390 E CB -0.152 29.648 29.700 0.167 0.000 1.188 390 E HN 0.139 nan 8.360 nan 0.000 0.445 391 S N 1.009 116.848 115.700 0.232 0.000 2.465 391 S HA 0.217 4.686 4.470 -0.001 0.000 0.279 391 S C 0.428 175.267 174.600 0.399 0.000 1.201 391 S CA -0.499 57.836 58.200 0.225 0.000 1.053 391 S CB 1.423 64.672 63.200 0.082 0.000 0.953 391 S HN -0.001 nan 8.310 nan 0.000 0.488 392 V N 5.507 125.633 119.914 0.354 0.000 2.555 392 V HA 0.310 4.429 4.120 -0.001 0.000 0.286 392 V C 0.083 176.299 176.094 0.204 0.000 1.044 392 V CA -0.072 62.429 62.300 0.334 0.000 1.026 392 V CB 0.231 32.191 31.823 0.228 0.000 0.981 392 V HN 0.720 nan 8.190 nan 0.000 0.480 393 I N 4.193 124.907 120.570 0.238 0.000 2.439 393 I HA 0.693 4.862 4.170 -0.001 0.000 0.283 393 I C 0.010 176.181 176.117 0.091 0.000 1.023 393 I CA -0.387 60.962 61.300 0.080 0.000 1.100 393 I CB 1.673 39.711 38.000 0.063 0.000 1.238 393 I HN 0.679 nan 8.210 nan 0.000 0.445 394 A N 5.712 128.492 122.820 -0.067 0.000 2.355 394 A HA 0.754 5.073 4.320 -0.001 0.000 0.317 394 A C -0.723 176.803 177.584 -0.095 0.000 1.094 394 A CA -0.465 51.563 52.037 -0.015 0.000 0.764 394 A CB 1.945 20.965 19.000 0.034 0.000 1.230 394 A HN 0.741 nan 8.150 nan 0.000 0.448 398 V N 0.384 120.575 119.914 0.461 0.000 2.627 398 V HA -0.009 4.110 4.120 -0.001 0.000 0.239 398 V C -0.132 176.165 176.094 0.338 0.000 1.077 398 V CA 0.306 62.833 62.300 0.379 0.000 1.103 398 V CB -0.481 31.530 31.823 0.312 0.000 0.802 398 V HN 0.920 nan 8.190 nan 0.000 0.482 399 N N 1.070 120.039 118.700 0.447 0.000 2.385 399 N HA -0.168 4.572 4.740 -0.001 0.000 0.290 399 N C 0.409 176.013 175.510 0.155 0.000 1.440 399 N CA 0.714 53.985 53.050 0.369 0.000 0.633 399 N CB -0.848 37.850 38.487 0.351 0.000 0.927 399 N HN 0.607 nan 8.380 nan 0.000 0.496 400 E N -0.250 119.993 120.200 0.072 0.000 2.216 400 E HA -0.042 4.308 4.350 -0.001 0.000 0.192 400 E C -0.249 176.222 176.600 -0.215 0.000 0.988 400 E CA 1.048 57.423 56.400 -0.042 0.000 0.834 400 E CB 0.234 29.933 29.700 -0.002 0.000 0.772 400 E HN 0.564 nan 8.360 nan 0.000 0.479 401 Y N -1.222 119.059 120.300 -0.031 0.000 2.581 401 Y HA 0.271 4.821 4.550 -0.001 0.000 0.345 401 Y C -0.375 175.503 175.900 -0.036 0.000 1.036 401 Y CA -0.869 57.188 58.100 -0.072 0.000 1.042 401 Y CB 2.279 40.625 38.460 -0.190 0.000 1.289 401 Y HN -0.325 nan 8.280 nan 0.000 0.471 402 S N 1.142 116.925 115.700 0.139 0.000 2.498 402 S HA 0.422 4.891 4.470 -0.001 0.000 0.317 402 S C -0.325 174.292 174.600 0.029 0.000 1.090 402 S CA -0.473 57.835 58.200 0.180 0.000 1.089 402 S CB 0.154 63.498 63.200 0.240 0.000 0.997 402 S HN 0.568 nan 8.310 nan 0.000 0.470 403 F N 4.593 124.577 119.950 0.056 0.000 2.754 403 F HA 0.301 4.827 4.527 -0.001 0.000 0.297 403 F C 1.364 177.147 175.800 -0.028 0.000 1.122 403 F CA -0.091 57.839 58.000 -0.118 0.000 1.400 403 F CB -0.002 38.803 39.000 -0.325 0.000 1.117 403 F HN 0.425 nan 8.300 nan 0.000 0.587 404 L N -0.598 120.779 121.223 0.257 0.000 7.357 404 L HA -0.453 3.886 4.340 -0.001 0.000 0.053 404 L C 1.414 178.350 176.870 0.111 0.000 1.534 404 L CA 1.497 56.459 54.840 0.203 0.000 1.544 404 L CB -1.834 40.331 42.059 0.177 0.000 2.835 404 L HN 0.502 nan 8.230 nan 0.000 1.139 405 N N -1.172 117.510 118.700 -0.029 0.000 1.414 405 N HA -0.314 4.426 4.740 -0.001 0.000 0.142 405 N C 1.040 176.466 175.510 -0.139 0.000 0.587 405 N CA 1.859 54.790 53.050 -0.198 0.000 1.068 405 N CB -0.746 37.564 38.487 -0.295 0.000 1.317 405 N HN 0.787 nan 8.380 nan 0.000 0.463 406 H N 0.982 120.090 119.070 0.062 0.000 2.547 406 H HA 0.101 4.657 4.556 -0.001 0.000 0.266 406 H C 0.571 175.897 175.328 -0.003 0.000 0.988 406 H CA 0.416 56.489 56.048 0.042 0.000 1.147 406 H CB -0.139 29.584 29.762 -0.066 0.000 1.365 406 H HN 0.396 nan 8.280 nan 0.000 0.589 407 Q N 0.797 120.689 119.800 0.152 0.000 2.340 407 Q HA 0.130 4.469 4.340 -0.001 0.000 0.249 407 Q C -0.543 175.562 176.000 0.175 0.000 0.957 407 Q CA -0.215 55.655 55.803 0.112 0.000 0.882 407 Q CB 0.836 29.724 28.738 0.250 0.000 1.235 407 Q HN 0.503 nan 8.270 nan 0.000 0.439 408 H N 1.484 120.565 119.070 0.018 0.000 2.483 408 H HA 0.151 4.707 4.556 -0.001 0.000 0.338 408 H C -0.431 174.850 175.328 -0.079 0.000 1.152 408 H CA -1.166 54.850 56.048 -0.054 0.000 1.264 408 H CB 1.130 30.776 29.762 -0.193 0.000 1.510 408 H HN 0.454 nan 8.280 nan 0.000 0.530 409 Q N 2.856 122.694 119.800 0.062 0.000 2.962 409 Q HA 0.003 4.343 4.340 -0.001 0.000 0.251 409 Q C -0.306 175.561 176.000 -0.221 0.000 1.380 409 Q CA 0.045 55.817 55.803 -0.052 0.000 0.926 409 Q CB -0.653 28.038 28.738 -0.079 0.000 1.704 409 Q HN 0.624 nan 8.270 nan 0.000 0.563 410 D N -1.636 118.597 120.400 -0.278 0.000 2.593 410 D HA 0.194 4.834 4.640 -0.001 0.000 0.241 410 D C 0.063 176.260 176.300 -0.172 0.000 1.257 410 D CA -0.646 53.079 54.000 -0.458 0.000 0.828 410 D CB 0.022 40.291 40.800 -0.885 0.000 1.049 410 D HN 0.167 nan 8.370 nan 0.000 0.490 411 A N 0.310 123.091 122.820 -0.065 0.000 2.548 411 A HA 0.475 4.795 4.320 -0.001 0.000 0.247 411 A C 1.757 179.416 177.584 0.125 0.000 1.067 411 A CA 0.646 52.718 52.037 0.058 0.000 0.757 411 A CB -0.445 18.578 19.000 0.039 0.000 0.996 411 A HN 0.972 nan 8.150 nan 0.000 0.504 412 G N 0.990 109.932 108.800 0.238 0.000 2.199 412 G HA2 0.131 4.091 3.960 -0.001 0.000 0.254 412 G HA3 0.131 4.091 3.960 -0.001 0.000 0.254 412 G C 0.659 175.822 174.900 0.440 0.000 0.982 412 G CA 0.441 45.767 45.100 0.376 0.000 0.632 412 G HN 2.254 nan 8.290 nan 0.000 0.529 413 A N 0.197 123.141 122.820 0.205 0.000 2.498 413 A HA 0.627 4.947 4.320 -0.001 0.000 0.239 413 A C 0.154 177.863 177.584 0.208 0.000 1.068 413 A CA 0.885 52.989 52.037 0.112 0.000 0.766 413 A CB -0.088 18.873 19.000 -0.064 0.000 1.003 413 A HN 1.732 nan 8.150 nan 0.000 0.497 414 F N -0.329 119.698 119.950 0.129 0.000 2.579 414 F HA 0.804 5.330 4.527 -0.001 0.000 0.324 414 F C -0.458 175.382 175.800 0.067 0.000 1.058 414 F CA -0.926 57.119 58.000 0.074 0.000 0.944 414 F CB 1.762 40.906 39.000 0.239 0.000 1.245 414 F HN 0.607 nan 8.300 nan 0.000 0.477 415 Q N 2.566 122.471 119.800 0.176 0.000 2.295 415 Q HA 0.603 4.942 4.340 -0.001 0.000 0.268 415 Q C -2.174 173.953 176.000 0.211 0.000 1.010 415 Q CA -0.564 55.295 55.803 0.095 0.000 0.856 415 Q CB 2.793 31.546 28.738 0.025 0.000 1.349 415 Q HN 0.924 nan 8.270 nan 0.000 0.412 416 I N 3.293 124.009 120.570 0.243 0.000 2.533 416 I HA 0.401 4.571 4.170 -0.001 0.000 0.290 416 I C -1.412 174.875 176.117 0.283 0.000 1.056 416 I CA -0.899 60.570 61.300 0.282 0.000 1.057 416 I CB 2.016 40.215 38.000 0.333 0.000 1.240 416 I HN 0.608 nan 8.210 nan 0.000 0.423 417 Y N 6.994 127.395 120.300 0.168 0.000 2.409 417 Y HA 0.633 5.183 4.550 -0.001 0.000 0.343 417 Y C -1.754 174.298 175.900 0.252 0.000 0.973 417 Y CA -0.841 57.359 58.100 0.166 0.000 1.064 417 Y CB 1.610 40.138 38.460 0.113 0.000 1.207 417 Y HN 0.517 nan 8.280 nan 0.000 0.452 418 Y N 5.793 125.764 120.300 -0.547 0.000 2.275 418 Y HA 0.242 4.792 4.550 -0.001 0.000 0.319 418 Y C -0.816 174.764 175.900 -0.532 0.000 1.204 418 Y CA -1.707 56.178 58.100 -0.359 0.000 1.136 418 Y CB 0.860 39.279 38.460 -0.069 0.000 1.228 418 Y HN 0.752 nan 8.280 nan 0.000 0.413 419 K N 4.210 124.094 120.400 -0.861 0.000 3.490 419 K HA -0.098 4.222 4.320 -0.001 0.000 0.273 419 K C 0.202 176.505 176.600 -0.495 0.000 0.916 419 K CA 1.313 57.253 56.287 -0.580 0.000 0.718 419 K CB -1.589 30.559 32.500 -0.587 0.000 1.477 419 K HN 1.490 nan 8.250 nan 0.000 0.452 420 G N -0.385 107.942 108.800 -0.789 0.000 2.525 420 G HA2 -0.019 3.940 3.960 -0.001 0.000 0.685 420 G HA3 -0.019 3.940 3.960 -0.001 0.000 0.685 420 G C -3.225 171.404 174.900 -0.453 0.000 1.285 420 G CA -1.219 43.652 45.100 -0.382 0.000 0.849 420 G HN -0.062 nan 8.290 nan 0.000 0.653 421 P HA 0.390 nan 4.420 nan 0.000 0.276 421 P C 0.923 178.262 177.300 0.066 0.000 1.264 421 P CA -0.240 62.941 63.100 0.135 0.000 0.769 421 P CB 0.655 32.464 31.700 0.181 0.000 0.840 422 L N 2.638 123.911 121.223 0.084 0.000 2.296 422 L HA 0.274 4.613 4.340 -0.001 0.000 0.193 422 L C 1.189 178.140 176.870 0.135 0.000 1.123 422 L CA 0.453 55.354 54.840 0.101 0.000 0.805 422 L CB -0.638 41.491 42.059 0.116 0.000 1.004 422 L HN 0.221 nan 8.230 nan 0.000 0.478 423 A N 1.507 124.427 122.820 0.167 0.000 2.260 423 A HA 0.571 4.890 4.320 -0.001 0.000 0.312 423 A C -0.323 177.308 177.584 0.077 0.000 1.321 423 A CA -0.401 51.715 52.037 0.132 0.000 0.928 423 A CB -0.327 18.799 19.000 0.209 0.000 1.158 423 A HN 0.346 nan 8.150 nan 0.000 0.542 424 I N -0.614 119.994 120.570 0.064 0.000 2.750 424 I HA 0.563 4.733 4.170 -0.001 0.000 0.308 424 I C -0.580 175.531 176.117 -0.010 0.000 1.016 424 I CA -0.885 60.452 61.300 0.062 0.000 1.098 424 I CB 1.905 39.958 38.000 0.089 0.000 1.279 424 I HN 0.390 nan 8.210 nan 0.000 0.454 425 D N 4.390 124.803 120.400 0.021 0.000 2.441 425 D HA 0.484 5.123 4.640 -0.001 0.000 0.221 425 D C -0.170 176.143 176.300 0.021 0.000 1.156 425 D CA -0.013 53.974 54.000 -0.021 0.000 0.896 425 D CB 1.215 42.076 40.800 0.101 0.000 1.028 425 D HN 0.789 nan 8.370 nan 0.000 0.509 426 A N 2.222 124.947 122.820 -0.158 0.000 2.271 426 A HA 0.815 5.134 4.320 -0.001 0.000 0.288 426 A C 0.823 178.653 177.584 0.410 0.000 1.094 426 A CA 0.375 52.486 52.037 0.123 0.000 0.828 426 A CB 0.523 19.606 19.000 0.138 0.000 1.091 426 A HN 0.922 nan 8.150 nan 0.000 0.493 427 G N -0.885 108.273 108.800 0.596 0.000 2.592 427 G HA2 0.321 4.280 3.960 -0.001 0.000 0.684 427 G HA3 0.321 4.280 3.960 -0.001 0.000 0.684 427 G C -0.412 174.650 174.900 0.270 0.000 1.291 427 G CA -0.150 45.234 45.100 0.473 0.000 0.891 427 G HN 1.525 nan 8.290 nan 0.000 0.544 428 S N -1.567 113.941 115.700 -0.320 0.000 2.569 428 S HA 0.587 5.057 4.470 -0.001 0.000 0.280 428 S C 0.318 174.320 174.600 -0.997 0.000 1.111 428 S CA -0.008 57.904 58.200 -0.480 0.000 0.887 428 S CB 1.804 65.004 63.200 0.000 0.000 1.095 428 S HN 1.075 nan 8.310 nan 0.000 0.476 429 Y N 3.063 122.907 120.300 -0.760 0.000 2.184 429 Y HA 0.047 4.596 4.550 -0.001 0.000 0.290 429 Y C 1.304 177.157 175.900 -0.079 0.000 1.129 429 Y CA 1.766 59.701 58.100 -0.275 0.000 1.144 429 Y CB -0.293 38.232 38.460 0.110 0.000 0.995 429 Y HN 0.675 nan 8.280 nan 0.000 0.513 430 T N -1.171 113.309 114.554 -0.124 0.000 2.885 430 T HA 0.757 5.107 4.350 -0.001 0.000 0.285 430 T C 0.050 174.694 174.700 -0.092 0.000 1.019 430 T CA -0.179 61.832 62.100 -0.148 0.000 1.010 430 T CB 1.928 70.727 68.868 -0.116 0.000 1.022 430 T HN 0.553 nan 8.240 nan 0.000 0.466 431 G N 0.593 109.343 108.800 -0.084 0.000 2.356 431 G HA2 0.360 4.320 3.960 -0.001 0.000 0.281 431 G HA3 0.360 4.320 3.960 -0.001 0.000 0.281 431 G C 0.671 175.538 174.900 -0.054 0.000 1.246 431 G CA 0.157 45.218 45.100 -0.064 0.000 0.889 431 G HN 1.343 nan 8.290 nan 0.000 0.486 432 S N -0.585 115.087 115.700 -0.047 0.000 2.469 432 S HA -0.060 4.409 4.470 -0.001 0.000 0.238 432 S C 2.237 176.824 174.600 -0.021 0.000 0.998 432 S CA 2.447 60.631 58.200 -0.027 0.000 0.957 432 S CB -0.136 63.052 63.200 -0.021 0.000 0.764 432 S HN 1.166 nan 8.310 nan 0.000 0.514 433 S N 0.621 116.297 115.700 -0.040 0.000 2.414 433 S HA 0.438 4.907 4.470 -0.001 0.000 0.227 433 S C 1.077 175.692 174.600 0.024 0.000 1.022 433 S CA 1.053 59.255 58.200 0.002 0.000 0.958 433 S CB -0.664 62.539 63.200 0.005 0.000 0.797 433 S HN 1.250 nan 8.310 nan 0.000 0.493 434 G N -1.010 107.789 108.800 -0.002 0.000 2.250 434 G HA2 0.313 4.273 3.960 -0.001 0.000 0.252 434 G HA3 0.313 4.273 3.960 -0.001 0.000 0.252 434 G C 0.017 174.899 174.900 -0.030 0.000 1.325 434 G CA -0.273 44.830 45.100 0.006 0.000 1.091 434 G HN 0.735 nan 8.290 nan 0.000 0.476 435 G N -2.003 106.789 108.800 -0.014 0.000 2.782 435 G HA2 0.513 4.472 3.960 -0.001 0.000 0.201 435 G HA3 0.513 4.472 3.960 -0.001 0.000 0.201 435 G C 0.879 175.769 174.900 -0.016 0.000 1.374 435 G CA 0.740 45.786 45.100 -0.090 0.000 1.039 435 G HN 1.125 nan 8.290 nan 0.000 0.576 436 Y N 0.441 120.678 120.300 -0.106 0.000 2.133 436 Y HA -0.316 4.234 4.550 -0.001 0.000 0.279 436 Y C 2.684 178.743 175.900 0.265 0.000 1.209 436 Y CA 2.826 61.044 58.100 0.196 0.000 1.152 436 Y CB -0.260 38.327 38.460 0.212 0.000 0.961 436 Y HN 0.514 nan 8.280 nan 0.000 0.512 437 N N -0.141 118.755 118.700 0.327 0.000 2.289 437 N HA -0.115 4.625 4.740 -0.001 0.000 0.184 437 N C 0.409 176.041 175.510 0.203 0.000 1.016 437 N CA 0.464 53.686 53.050 0.287 0.000 0.872 437 N CB -0.264 38.346 38.487 0.204 0.000 0.973 437 N HN 0.310 nan 8.380 nan 0.000 0.433 438 S N 1.958 117.748 115.700 0.149 0.000 2.558 438 S HA 0.028 4.498 4.470 -0.001 0.000 0.293 438 S C -2.405 172.266 174.600 0.119 0.000 1.292 438 S CA -1.175 57.100 58.200 0.125 0.000 1.063 438 S CB 0.640 63.906 63.200 0.111 0.000 0.831 438 S HN 0.087 nan 8.310 nan 0.000 0.499 439 P HA 0.144 nan 4.420 nan 0.000 0.252 439 P C -0.199 177.227 177.300 0.210 0.000 1.694 439 P CA 0.588 63.764 63.100 0.127 0.000 1.163 439 P CB -0.281 31.544 31.700 0.208 0.000 1.934 440 H N 1.615 120.676 119.070 -0.015 0.000 1.827 440 H HA 0.027 4.582 4.556 -0.001 0.000 0.121 440 H C 1.322 176.662 175.328 0.020 0.000 1.025 440 H CA 0.173 56.218 56.048 -0.005 0.000 0.535 440 H CB -0.450 29.306 29.762 -0.010 0.000 0.403 440 H HN -0.103 nan 8.280 nan 0.000 0.249 441 N N 1.655 120.344 118.700 -0.018 0.000 2.043 441 N HA -0.116 4.624 4.740 -0.001 0.000 0.193 441 N C 1.225 176.685 175.510 -0.083 0.000 1.037 441 N CA 1.909 54.973 53.050 0.023 0.000 0.851 441 N CB -0.042 38.521 38.487 0.127 0.000 1.027 441 N HN 0.528 nan 8.380 nan 0.000 0.422 442 K N 0.420 120.728 120.400 -0.152 0.000 2.288 442 K HA 0.048 4.367 4.320 -0.001 0.000 0.201 442 K C 0.714 177.193 176.600 -0.202 0.000 1.048 442 K CA 0.715 56.930 56.287 -0.119 0.000 0.956 442 K CB 0.120 32.529 32.500 -0.152 0.000 0.746 442 K HN 0.278 nan 8.250 nan 0.000 0.461 443 N N -1.109 117.374 118.700 -0.362 0.000 2.193 443 N HA 0.063 4.802 4.740 -0.001 0.000 0.210 443 N C 0.684 175.951 175.510 -0.405 0.000 1.215 443 N CA 0.217 52.913 53.050 -0.591 0.000 0.901 443 N CB 0.540 38.233 38.487 -1.322 0.000 1.060 443 N HN 0.071 nan 8.380 nan 0.000 0.508 444 F N -0.413 119.252 119.950 -0.475 0.000 2.017 444 F HA 0.259 4.786 4.527 -0.001 0.000 0.245 444 F C 1.633 177.200 175.800 -0.387 0.000 1.060 444 F CA -0.384 57.387 58.000 -0.382 0.000 1.231 444 F CB -0.452 38.345 39.000 -0.338 0.000 1.527 444 F HN -0.234 nan 8.300 nan 0.000 0.636 445 F N 2.383 121.984 119.950 -0.583 0.000 2.126 445 F HA -0.103 4.424 4.527 -0.001 0.000 0.299 445 F C 1.927 177.271 175.800 -0.761 0.000 1.096 445 F CA 1.999 59.633 58.000 -0.610 0.000 1.255 445 F CB -0.432 38.313 39.000 -0.425 0.000 0.997 445 F HN -0.074 nan 8.300 nan 0.000 0.479 446 K N -0.125 119.962 120.400 -0.522 0.000 2.444 446 K HA 0.046 4.365 4.320 -0.001 0.000 0.193 446 K C 0.305 176.802 176.600 -0.171 0.000 1.024 446 K CA -0.024 56.012 56.287 -0.418 0.000 1.077 446 K CB 0.288 32.888 32.500 0.167 0.000 0.833 446 K HN 0.053 nan 8.250 nan 0.000 0.517 447 R N 0.016 120.343 120.500 -0.288 0.000 2.674 447 R HA 0.170 4.509 4.340 -0.001 0.000 0.266 447 R C 1.186 177.383 176.300 -0.172 0.000 1.016 447 R CA -0.276 55.661 56.100 -0.271 0.000 1.062 447 R CB 0.434 30.509 30.300 -0.375 0.000 1.142 447 R HN -0.133 nan 8.270 nan 0.000 0.517 448 T N 1.071 115.541 114.554 -0.140 0.000 2.759 448 T HA -0.118 4.232 4.350 -0.001 0.000 0.269 448 T C 1.832 176.519 174.700 -0.022 0.000 1.042 448 T CA 1.099 63.179 62.100 -0.034 0.000 1.140 448 T CB -0.130 68.707 68.868 -0.053 0.000 0.864 448 T HN 0.491 nan 8.240 nan 0.000 0.455 449 I N 1.020 121.513 120.570 -0.128 0.000 2.530 449 I HA -0.172 3.998 4.170 -0.001 0.000 0.257 449 I C 2.340 178.285 176.117 -0.287 0.000 1.179 449 I CA 0.788 62.021 61.300 -0.113 0.000 1.440 449 I CB -0.176 37.782 38.000 -0.069 0.000 1.087 449 I HN 0.217 nan 8.210 nan 0.000 0.440 450 A N -0.999 121.339 122.820 -0.803 0.000 2.206 450 A HA 0.005 4.324 4.320 -0.001 0.000 0.211 450 A C 0.396 177.171 177.584 -1.349 0.000 1.158 450 A CA 0.627 51.833 52.037 -1.385 0.000 0.761 450 A CB -0.611 17.379 19.000 -1.683 0.000 0.801 450 A HN 0.543 nan 8.150 nan 0.000 0.473 451 H N -1.572 117.176 119.070 -0.537 0.000 2.771 451 H HA 0.378 4.933 4.556 -0.001 0.000 0.367 451 H C -0.524 174.703 175.328 -0.167 0.000 1.172 451 H CA -1.175 54.647 56.048 -0.377 0.000 1.186 451 H CB 0.545 30.154 29.762 -0.256 0.000 1.790 451 H HN 0.045 nan 8.280 nan 0.000 0.556 452 N N 0.837 119.459 118.700 -0.131 0.000 3.103 452 N HA 0.050 4.789 4.740 -0.001 0.000 0.305 452 N C -0.460 174.889 175.510 -0.267 0.000 1.232 452 N CA 0.167 52.982 53.050 -0.391 0.000 1.190 452 N CB 0.387 38.208 38.487 -1.111 0.000 1.461 452 N HN 0.408 nan 8.380 nan 0.000 0.538 453 S N -0.118 115.514 115.700 -0.113 0.000 3.728 453 S HA 0.680 5.149 4.470 -0.001 0.000 0.253 453 S C -0.937 173.651 174.600 -0.020 0.000 1.032 453 S CA -0.510 57.690 58.200 0.001 0.000 1.323 453 S CB 0.490 63.737 63.200 0.077 0.000 1.223 453 S HN 0.184 nan 8.310 nan 0.000 0.728 454 L N 1.551 122.852 121.223 0.130 0.000 2.381 454 L HA 0.634 4.973 4.340 -0.001 0.000 0.268 454 L C -1.327 175.714 176.870 0.285 0.000 0.997 454 L CA -0.554 54.383 54.840 0.162 0.000 0.818 454 L CB 1.863 43.999 42.059 0.130 0.000 1.310 454 L HN 0.495 nan 8.230 nan 0.000 0.416 455 L N 3.390 124.802 121.223 0.316 0.000 2.342 455 L HA 0.648 4.988 4.340 -0.001 0.000 0.271 455 L C -1.151 175.955 176.870 0.394 0.000 1.008 455 L CA -0.680 54.397 54.840 0.396 0.000 0.818 455 L CB 2.356 44.665 42.059 0.418 0.000 1.296 455 L HN 0.395 nan 8.230 nan 0.000 0.427 456 I N 1.930 122.688 120.570 0.314 0.000 2.497 456 I HA 0.203 4.372 4.170 -0.001 0.000 0.284 456 I C -1.113 175.124 176.117 0.201 0.000 1.060 456 I CA -0.160 61.286 61.300 0.242 0.000 1.071 456 I CB 1.523 39.563 38.000 0.067 0.000 1.216 456 I HN 0.316 nan 8.210 nan 0.000 0.442 457 Y N 5.473 125.842 120.300 0.115 0.000 2.535 457 Y HA 0.396 4.946 4.550 -0.001 0.000 0.349 457 Y C -0.089 175.633 175.900 -0.297 0.000 0.992 457 Y CA -0.433 57.609 58.100 -0.096 0.000 1.248 457 Y CB 0.478 38.877 38.460 -0.103 0.000 1.124 457 Y HN 0.507 nan 8.280 nan 0.000 0.520 458 D N 8.757 128.637 120.400 -0.866 0.000 2.396 458 D HA 0.228 4.868 4.640 -0.001 0.000 0.225 458 D C -1.831 173.936 176.300 -0.890 0.000 1.121 458 D CA -2.630 50.681 54.000 -1.149 0.000 0.853 458 D CB 1.629 41.708 40.800 -1.202 0.000 1.043 458 D HN 0.306 nan 8.370 nan 0.000 0.500 459 P HA -0.112 nan 4.420 nan 0.000 0.225 459 P C 0.540 177.682 177.300 -0.263 0.000 1.148 459 P CA 0.845 63.726 63.100 -0.364 0.000 0.779 459 P CB 0.416 32.113 31.700 -0.006 0.000 0.780 460 K N -0.442 119.799 120.400 -0.265 0.000 2.367 460 K HA 0.070 4.390 4.320 -0.001 0.000 0.194 460 K C 0.893 177.352 176.600 -0.234 0.000 1.027 460 K CA -0.147 56.025 56.287 -0.192 0.000 1.075 460 K CB 0.219 32.645 32.500 -0.123 0.000 0.845 460 K HN 0.193 nan 8.250 nan 0.000 0.529 461 E N 1.822 121.830 120.200 -0.320 0.000 2.366 461 E HA -0.009 4.340 4.350 -0.001 0.000 0.266 461 E C -0.911 175.506 176.600 -0.304 0.000 1.015 461 E CA 0.291 56.472 56.400 -0.364 0.000 0.906 461 E CB 0.639 30.062 29.700 -0.463 0.000 0.979 461 E HN -0.077 nan 8.360 nan 0.000 0.443 462 T N 5.100 119.444 114.554 -0.350 0.000 2.767 462 T HA 0.294 4.643 4.350 -0.001 0.000 0.288 462 T C -0.730 173.779 174.700 -0.317 0.000 0.963 462 T CA -0.260 61.719 62.100 -0.202 0.000 1.019 462 T CB 0.114 68.914 68.868 -0.114 0.000 0.923 462 T HN 0.255 nan 8.240 nan 0.000 0.468 463 F N 2.380 122.330 119.950 0.001 0.000 2.307 463 F HA 0.335 4.862 4.527 -0.001 0.000 0.369 463 F C 0.976 176.797 175.800 0.035 0.000 1.076 463 F CA -0.827 57.137 58.000 -0.060 0.000 1.149 463 F CB 1.010 39.901 39.000 -0.182 0.000 1.410 463 F HN 0.432 nan 8.300 nan 0.000 0.481 464 S N 1.618 117.387 115.700 0.116 0.000 2.465 464 S HA 0.160 4.629 4.470 -0.001 0.000 0.280 464 S C 0.880 175.504 174.600 0.040 0.000 1.232 464 S CA -0.018 58.191 58.200 0.014 0.000 1.066 464 S CB 0.247 63.430 63.200 -0.029 0.000 0.929 464 S HN 0.656 nan 8.310 nan 0.000 0.494 465 S N 3.096 118.821 115.700 0.043 0.000 2.663 465 S HA 0.127 4.597 4.470 -0.001 0.000 0.243 465 S C 1.507 176.229 174.600 0.202 0.000 1.009 465 S CA 0.179 58.527 58.200 0.246 0.000 0.988 465 S CB 0.093 63.468 63.200 0.292 0.000 0.896 465 S HN 0.696 nan 8.310 nan 0.000 0.502 466 S N 1.539 117.266 115.700 0.044 0.000 2.413 466 S HA -0.102 4.368 4.470 -0.001 0.000 0.237 466 S C 1.695 176.372 174.600 0.128 0.000 1.044 466 S CA 1.904 60.117 58.200 0.020 0.000 1.024 466 S CB -0.844 62.320 63.200 -0.059 0.000 0.829 466 S HN 0.819 nan 8.310 nan 0.000 0.475 467 G N -1.603 107.300 108.800 0.173 0.000 3.020 467 G HA2 0.167 4.127 3.960 -0.001 0.000 0.217 467 G HA3 0.167 4.127 3.960 -0.001 0.000 0.217 467 G C 0.168 175.161 174.900 0.155 0.000 1.144 467 G CA -0.322 44.871 45.100 0.154 0.000 0.760 467 G HN 0.569 nan 8.290 nan 0.000 0.548 468 Y N 2.029 122.377 120.300 0.080 0.000 2.610 468 Y HA 0.347 4.896 4.550 -0.001 0.000 0.332 468 Y C 1.057 176.979 175.900 0.036 0.000 1.201 468 Y CA 0.984 59.071 58.100 -0.023 0.000 1.465 468 Y CB 0.332 38.724 38.460 -0.113 0.000 1.283 468 Y HN 0.553 nan 8.280 nan 0.000 0.563 469 G N 3.332 111.903 108.800 -0.381 0.000 2.782 469 G HA2 -0.087 3.872 3.960 -0.001 0.000 0.228 469 G HA3 -0.087 3.872 3.960 -0.001 0.000 0.228 469 G C 0.470 175.283 174.900 -0.145 0.000 1.372 469 G CA -0.293 44.718 45.100 -0.148 0.000 0.862 469 G HN 1.464 nan 8.290 nan 0.000 0.547 470 G N -1.090 107.630 108.800 -0.133 0.000 3.228 470 G HA2 0.619 4.578 3.960 -0.001 0.000 0.245 470 G HA3 0.619 4.578 3.960 -0.001 0.000 0.245 470 G C 0.421 175.188 174.900 -0.221 0.000 1.051 470 G CA 1.709 46.714 45.100 -0.158 0.000 0.809 470 G HN 1.725 nan 8.290 nan 0.000 0.531 471 S N -0.647 114.929 115.700 -0.206 0.000 2.636 471 S HA 0.405 4.875 4.470 -0.001 0.000 0.268 471 S C -1.363 173.228 174.600 -0.016 0.000 1.159 471 S CA -0.165 57.919 58.200 -0.192 0.000 0.815 471 S CB 0.855 64.032 63.200 -0.038 0.000 1.130 471 S HN 0.086 nan 8.310 nan 0.000 0.471 472 D N 1.560 122.052 120.400 0.154 0.000 2.692 472 D HA -0.164 4.476 4.640 -0.001 0.000 0.233 472 D C -0.045 176.446 176.300 0.318 0.000 1.172 472 D CA 1.592 55.739 54.000 0.244 0.000 0.636 472 D CB -2.111 38.788 40.800 0.167 0.000 1.028 472 D HN 0.729 nan 8.370 nan 0.000 0.419 473 H N -1.785 117.348 119.070 0.104 0.000 2.722 473 H HA 0.527 5.082 4.556 -0.001 0.000 0.328 473 H C 0.183 175.564 175.328 0.088 0.000 1.067 473 H CA -0.637 55.478 56.048 0.111 0.000 1.447 473 H CB 0.707 30.522 29.762 0.088 0.000 1.469 473 H HN -0.136 nan 8.280 nan 0.000 0.544 474 T N 2.979 117.647 114.554 0.190 0.000 2.829 474 T HA 0.043 4.393 4.350 -0.001 0.000 0.280 474 T C 0.450 175.161 174.700 0.018 0.000 0.999 474 T CA -0.866 61.292 62.100 0.096 0.000 0.983 474 T CB 1.788 70.727 68.868 0.118 0.000 0.968 474 T HN 0.629 nan 8.240 nan 0.000 0.446 475 D N 0.932 121.270 120.400 -0.103 0.000 2.149 475 D HA 0.069 4.709 4.640 -0.001 0.000 0.201 475 D C 0.080 175.950 176.300 -0.716 0.000 0.972 475 D CA 1.355 55.089 54.000 -0.443 0.000 0.835 475 D CB 0.117 40.557 40.800 -0.599 0.000 0.966 475 D HN 0.455 nan 8.370 nan 0.000 0.476 476 F N -0.620 119.368 119.950 0.063 0.000 2.588 476 F HA 0.634 5.161 4.527 -0.001 0.000 0.314 476 F C 0.129 175.946 175.800 0.028 0.000 1.069 476 F CA -1.272 56.758 58.000 0.049 0.000 0.931 476 F CB 1.811 40.834 39.000 0.038 0.000 1.260 476 F HN -0.254 nan 8.300 nan 0.000 0.465 477 A N 0.720 123.646 122.820 0.175 0.000 2.387 477 A HA 0.897 5.217 4.320 -0.001 0.000 0.298 477 A C -0.900 176.632 177.584 -0.087 0.000 1.165 477 A CA -0.745 51.282 52.037 -0.016 0.000 0.814 477 A CB 0.798 19.691 19.000 -0.177 0.000 1.357 477 A HN 1.060 nan 8.150 nan 0.000 0.443 478 A N 0.993 123.690 122.820 -0.206 0.000 2.520 478 A HA 0.357 4.677 4.320 -0.001 0.000 0.245 478 A C 0.345 177.701 177.584 -0.379 0.000 1.072 478 A CA -0.161 51.765 52.037 -0.185 0.000 0.761 478 A CB -0.418 18.475 19.000 -0.179 0.000 1.004 478 A HN 0.750 nan 8.150 nan 0.000 0.499 479 N N 1.910 120.472 118.700 -0.230 0.000 2.399 479 N HA 0.005 4.745 4.740 -0.001 0.000 0.259 479 N C 0.051 175.455 175.510 -0.178 0.000 1.160 479 N CA 0.075 52.929 53.050 -0.327 0.000 0.946 479 N CB 0.688 39.123 38.487 -0.087 0.000 1.156 479 N HN 0.657 nan 8.380 nan 0.000 0.489 480 D N 2.407 122.595 120.400 -0.352 0.000 2.369 480 D HA 0.101 4.741 4.640 -0.001 0.000 0.211 480 D C 1.062 177.448 176.300 0.143 0.000 1.077 480 D CA 0.401 54.412 54.000 0.018 0.000 0.842 480 D CB -0.266 40.466 40.800 -0.114 0.000 0.947 480 D HN 0.617 nan 8.370 nan 0.000 0.509 481 G N 0.052 108.860 108.800 0.014 0.000 2.189 481 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.267 481 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.267 481 G C 0.713 175.755 174.900 0.237 0.000 0.975 481 G CA 0.463 45.641 45.100 0.130 0.000 0.644 481 G HN 0.779 nan 8.290 nan 0.000 0.537 482 G N -0.759 108.135 108.800 0.156 0.000 2.666 482 G HA2 0.550 4.509 3.960 -0.001 0.000 0.207 482 G HA3 0.550 4.509 3.960 -0.001 0.000 0.207 482 G C 0.222 175.182 174.900 0.100 0.000 1.481 482 G CA -0.045 45.154 45.100 0.165 0.000 1.071 482 G HN 0.553 nan 8.290 nan 0.000 0.572 483 Q N -0.263 119.396 119.800 -0.235 0.000 2.312 483 Q HA 0.341 4.680 4.340 -0.001 0.000 0.236 483 Q C 0.312 176.245 176.000 -0.111 0.000 0.965 483 Q CA -0.233 55.301 55.803 -0.448 0.000 0.894 483 Q CB 1.119 29.497 28.738 -0.600 0.000 1.225 483 Q HN 0.334 nan 8.270 nan 0.000 0.478 484 R N 0.544 120.962 120.500 -0.136 0.000 2.861 484 R HA 0.062 4.402 4.340 -0.001 0.000 0.268 484 R C -0.415 175.804 176.300 -0.135 0.000 1.027 484 R CA 0.204 56.235 56.100 -0.114 0.000 1.163 484 R CB 0.108 30.308 30.300 -0.167 0.000 1.060 484 R HN 0.456 nan 8.270 nan 0.000 0.483 485 L N 3.245 124.364 121.223 -0.174 0.000 2.297 485 L HA 0.347 4.687 4.340 -0.001 0.000 0.277 485 L C -2.117 174.697 176.870 -0.093 0.000 1.040 485 L CA -2.264 52.397 54.840 -0.298 0.000 0.867 485 L CB 1.148 42.841 42.059 -0.611 0.000 1.244 485 L HN 0.304 nan 8.230 nan 0.000 0.433 486 P HA 0.388 nan 4.420 nan 0.000 0.274 486 P C 0.361 177.614 177.300 -0.079 0.000 1.256 486 P CA 0.139 63.133 63.100 -0.175 0.000 0.795 486 P CB 0.897 32.458 31.700 -0.232 0.000 1.038 487 G N 0.276 108.837 108.800 -0.397 0.000 2.728 487 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.294 487 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.294 487 G C -0.978 173.943 174.900 0.035 0.000 1.342 487 G CA -0.762 44.320 45.100 -0.030 0.000 0.866 487 G HN 0.479 nan 8.290 nan 0.000 0.534 488 K N 1.319 121.781 120.400 0.102 0.000 2.081 488 K HA 0.491 4.811 4.320 -0.001 0.000 0.230 488 K C 1.096 177.752 176.600 0.094 0.000 1.199 488 K CA 1.339 57.667 56.287 0.069 0.000 1.130 488 K CB -0.088 32.451 32.500 0.065 0.000 1.386 488 K HN 2.221 nan 8.250 nan 0.000 0.280 489 G N 2.006 110.860 108.800 0.090 0.000 2.326 489 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.286 489 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.286 489 G C -0.301 174.782 174.900 0.305 0.000 1.096 489 G CA -0.262 44.916 45.100 0.130 0.000 1.003 489 G HN 0.699 nan 8.290 nan 0.000 0.503 490 W N -2.363 118.981 121.300 0.074 0.000 4.301 490 W HA -0.154 4.506 4.660 -0.001 0.000 0.360 490 W C -0.345 176.295 176.519 0.202 0.000 1.371 490 W CA 0.085 57.516 57.345 0.142 0.000 0.781 490 W CB -1.669 27.879 29.460 0.146 0.000 2.488 490 W HN 0.995 nan 8.180 nan 0.000 1.350 491 I N 1.389 122.144 120.570 0.308 0.000 2.545 491 I HA 0.708 4.878 4.170 -0.001 0.000 0.292 491 I C 0.793 177.043 176.117 0.221 0.000 1.040 491 I CA -0.485 60.916 61.300 0.170 0.000 1.068 491 I CB 1.525 39.584 38.000 0.099 0.000 1.251 491 I HN 0.156 nan 8.210 nan 0.000 0.424 492 A N 8.917 131.790 122.820 0.088 0.000 2.507 492 A HA 0.471 4.790 4.320 -0.001 0.000 0.235 492 A C -2.376 175.149 177.584 -0.099 0.000 1.070 492 A CA -0.588 51.428 52.037 -0.036 0.000 0.768 492 A CB -0.854 18.085 19.000 -0.103 0.000 1.011 492 A HN 0.545 nan 8.150 nan 0.000 0.502 493 P HA 0.211 nan 4.420 nan 0.000 0.276 493 P C 0.512 177.697 177.300 -0.192 0.000 1.252 493 P CA -0.441 62.520 63.100 -0.232 0.000 0.802 493 P CB 0.856 32.291 31.700 -0.442 0.000 1.035 494 R N 1.520 121.944 120.500 -0.127 0.000 2.088 494 R HA -0.128 4.212 4.340 -0.001 0.000 0.232 494 R C 0.588 176.793 176.300 -0.158 0.000 1.136 494 R CA 2.348 58.379 56.100 -0.115 0.000 0.926 494 R CB -0.464 29.790 30.300 -0.077 0.000 0.837 494 R HN 0.664 nan 8.270 nan 0.000 0.429 495 D N -2.236 118.057 120.400 -0.179 0.000 2.781 495 D HA 0.040 4.679 4.640 -0.001 0.000 0.295 495 D C 0.522 176.660 176.300 -0.270 0.000 1.143 495 D CA -0.651 53.225 54.000 -0.206 0.000 1.076 495 D CB -0.088 40.614 40.800 -0.165 0.000 1.444 495 D HN 0.061 nan 8.370 nan 0.000 0.567 496 L N 0.299 121.341 121.223 -0.301 0.000 2.093 496 L HA 0.030 4.370 4.340 -0.001 0.000 0.208 496 L C 2.209 178.837 176.870 -0.403 0.000 1.085 496 L CA 1.905 56.478 54.840 -0.445 0.000 0.755 496 L CB -0.725 41.027 42.059 -0.511 0.000 0.904 496 L HN 0.602 nan 8.230 nan 0.000 0.435 497 K N -0.294 119.938 120.400 -0.280 0.000 2.032 497 K HA -0.192 4.128 4.320 -0.001 0.000 0.209 497 K C 1.160 177.658 176.600 -0.170 0.000 1.048 497 K CA 1.165 57.327 56.287 -0.209 0.000 0.927 497 K CB -0.148 32.264 32.500 -0.147 0.000 0.712 497 K HN 0.454 nan 8.250 nan 0.000 0.441 501 A N 0.603 123.408 122.820 -0.025 0.000 2.178 501 A HA 0.492 4.812 4.320 -0.001 0.000 0.211 501 A C 1.338 178.943 177.584 0.035 0.000 1.157 501 A CA 1.025 53.062 52.037 0.000 0.000 0.780 501 A CB -0.351 18.636 19.000 -0.022 0.000 0.828 501 A HN 0.333 nan 8.150 nan 0.000 0.476 502 G N 0.097 108.961 108.800 0.107 0.000 2.666 502 G HA2 0.346 4.305 3.960 -0.001 0.000 0.207 502 G HA3 0.346 4.305 3.960 -0.001 0.000 0.207 502 G C -0.006 174.878 174.900 -0.026 0.000 1.481 502 G CA 0.505 45.663 45.100 0.096 0.000 1.071 502 G HN 0.335 nan 8.290 nan 0.000 0.572 503 D N -1.152 119.069 120.400 -0.299 0.000 2.788 503 D HA 0.182 4.822 4.640 -0.001 0.000 0.289 503 D C 0.011 176.046 176.300 -0.443 0.000 1.340 503 D CA -0.393 53.405 54.000 -0.336 0.000 0.831 503 D CB -0.168 40.431 40.800 -0.335 0.000 1.103 503 D HN 0.206 nan 8.370 nan 0.000 0.476 504 F N 0.231 120.175 119.950 -0.009 0.000 2.727 504 F HA 0.246 4.773 4.527 -0.001 0.000 0.302 504 F C 1.309 177.075 175.800 -0.057 0.000 1.097 504 F CA -0.711 57.290 58.000 0.001 0.000 1.330 504 F CB 0.205 39.211 39.000 0.009 0.000 1.084 504 F HN -0.141 nan 8.300 nan 0.000 0.578 505 R N 1.370 121.820 120.500 -0.084 0.000 2.421 505 R HA 0.089 4.428 4.340 -0.001 0.000 0.305 505 R C 0.800 176.938 176.300 -0.270 0.000 1.039 505 R CA 0.838 56.636 56.100 -0.504 0.000 1.003 505 R CB 0.215 30.247 30.300 -0.447 0.000 0.959 505 R HN 0.192 nan 8.270 nan 0.000 0.427 506 T N 0.491 114.895 114.554 -0.249 0.000 3.091 506 T HA 0.437 4.786 4.350 -0.001 0.000 0.277 506 T C 0.418 175.080 174.700 -0.062 0.000 0.996 506 T CA 0.003 62.037 62.100 -0.110 0.000 0.897 506 T CB 0.674 69.516 68.868 -0.044 0.000 1.109 506 T HN 0.638 nan 8.240 nan 0.000 0.534 507 G N 0.268 109.005 108.800 -0.104 0.000 2.328 507 G HA2 0.471 4.431 3.960 -0.001 0.000 0.295 507 G HA3 0.471 4.431 3.960 -0.001 0.000 0.295 507 G C -2.409 172.466 174.900 -0.041 0.000 1.413 507 G CA -0.943 44.141 45.100 -0.027 0.000 0.817 507 G HN 0.268 nan 8.290 nan 0.000 0.546 508 K N 0.218 120.627 120.400 0.015 0.000 2.482 508 K HA 0.531 4.851 4.320 -0.001 0.000 0.251 508 K C -0.549 176.090 176.600 0.065 0.000 0.936 508 K CA -0.851 55.453 56.287 0.027 0.000 0.791 508 K CB 1.877 34.390 32.500 0.021 0.000 1.213 508 K HN 0.444 nan 8.250 nan 0.000 0.428 509 I N 5.632 126.248 120.570 0.077 0.000 2.533 509 I HA -0.017 4.152 4.170 -0.001 0.000 0.284 509 I C 1.197 177.358 176.117 0.073 0.000 1.109 509 I CA 0.105 61.465 61.300 0.101 0.000 1.412 509 I CB 0.559 38.642 38.000 0.137 0.000 1.396 509 I HN 0.556 nan 8.210 nan 0.000 0.543 510 L N 6.129 127.391 121.223 0.065 0.000 2.425 510 L HA 0.475 4.814 4.340 -0.001 0.000 0.215 510 L C 0.746 177.647 176.870 0.053 0.000 1.065 510 L CA 0.164 55.042 54.840 0.063 0.000 0.842 510 L CB 0.072 42.178 42.059 0.078 0.000 1.033 510 L HN 0.767 nan 8.230 nan 0.000 0.474 511 A N 0.238 123.057 122.820 -0.002 0.000 2.599 511 A HA 0.673 4.992 4.320 -0.001 0.000 0.294 511 A C -1.834 175.598 177.584 -0.253 0.000 1.055 511 A CA -0.463 51.555 52.037 -0.031 0.000 0.683 511 A CB 1.568 20.659 19.000 0.152 0.000 1.278 511 A HN 0.097 nan 8.150 nan 0.000 0.412 512 Q N -0.101 119.575 119.800 -0.208 0.000 2.594 512 Q HA 0.751 5.091 4.340 -0.001 0.000 0.278 512 Q C -0.450 175.486 176.000 -0.106 0.000 0.961 512 Q CA -0.092 55.525 55.803 -0.311 0.000 0.844 512 Q CB 0.827 29.204 28.738 -0.601 0.000 1.475 512 Q HN 2.484 nan 8.270 nan 0.000 0.389 513 G N 0.203 109.002 108.800 -0.001 0.000 2.316 513 G HA2 0.544 4.503 3.960 -0.001 0.000 0.296 513 G HA3 0.544 4.503 3.960 -0.001 0.000 0.296 513 G C -2.025 172.936 174.900 0.103 0.000 1.399 513 G CA -0.348 44.723 45.100 -0.047 0.000 0.833 513 G HN 1.136 nan 8.290 nan 0.000 0.565 514 F N -0.906 119.000 119.950 -0.074 0.000 2.613 514 F HA 0.829 5.355 4.527 -0.001 0.000 0.310 514 F C 0.712 176.049 175.800 -0.773 0.000 1.085 514 F CA -0.944 56.848 58.000 -0.346 0.000 0.945 514 F CB 0.862 39.757 39.000 -0.174 0.000 1.298 514 F HN 1.441 nan 8.300 nan 0.000 0.455 515 G N 1.973 110.068 108.800 -1.174 0.000 4.025 515 G HA2 -0.045 3.915 3.960 -0.001 0.000 0.340 515 G HA3 -0.045 3.915 3.960 -0.001 0.000 0.340 515 G C -1.575 172.983 174.900 -0.571 0.000 1.131 515 G CA -0.196 44.224 45.100 -1.134 0.000 0.941 515 G HN 0.671 nan 8.290 nan 0.000 0.516 516 P HA -0.067 nan 4.420 nan 0.000 0.218 516 P C 0.540 177.769 177.300 -0.118 0.000 1.148 516 P CA 1.610 64.531 63.100 -0.299 0.000 0.822 516 P CB 0.131 31.620 31.700 -0.353 0.000 0.784 517 D N -1.417 118.939 120.400 -0.073 0.000 2.175 517 D HA 0.083 4.722 4.640 -0.001 0.000 0.248 517 D C 1.153 177.500 176.300 0.079 0.000 1.047 517 D CA -0.580 53.427 54.000 0.011 0.000 0.883 517 D CB 0.631 41.447 40.800 0.026 0.000 1.180 517 D HN -0.301 nan 8.370 nan 0.000 0.438 518 N N 2.004 120.775 118.700 0.119 0.000 2.216 518 N HA -0.187 4.553 4.740 -0.001 0.000 0.183 518 N C 1.368 176.993 175.510 0.192 0.000 1.017 518 N CA 1.336 54.535 53.050 0.248 0.000 0.861 518 N CB 0.111 38.711 38.487 0.188 0.000 0.986 518 N HN 0.441 nan 8.380 nan 0.000 0.428 519 Q N -0.332 119.536 119.800 0.114 0.000 2.020 519 Q HA 0.035 4.375 4.340 -0.001 0.000 0.198 519 Q C -0.054 175.980 176.000 0.056 0.000 0.974 519 Q CA 1.564 57.420 55.803 0.090 0.000 0.829 519 Q CB -0.095 28.695 28.738 0.087 0.000 0.894 519 Q HN 0.392 nan 8.270 nan 0.000 0.433 520 T N -0.568 114.015 114.554 0.047 0.000 3.401 520 T HA 0.469 4.818 4.350 -0.001 0.000 0.341 520 T C -2.770 171.939 174.700 0.015 0.000 1.674 520 T CA -1.944 60.173 62.100 0.028 0.000 1.600 520 T CB 1.010 69.905 68.868 0.044 0.000 0.974 520 T HN 0.068 nan 8.240 nan 0.000 0.672 521 P HA 0.203 nan 4.420 nan 0.000 0.267 521 P C 0.183 177.473 177.300 -0.016 0.000 1.209 521 P CA 0.007 63.083 63.100 -0.041 0.000 0.763 521 P CB 0.995 32.679 31.700 -0.026 0.000 0.816 522 D N 1.678 122.058 120.400 -0.033 0.000 2.144 522 D HA -0.103 4.536 4.640 -0.001 0.000 0.199 522 D C 0.730 177.118 176.300 0.146 0.000 0.984 522 D CA 1.897 55.936 54.000 0.065 0.000 0.834 522 D CB -0.222 40.652 40.800 0.124 0.000 0.955 522 D HN 0.569 nan 8.370 nan 0.000 0.465 523 Y N -1.865 118.492 120.300 0.095 0.000 2.576 523 Y HA 0.671 5.221 4.550 -0.001 0.000 0.346 523 Y C -0.917 175.139 175.900 0.260 0.000 1.018 523 Y CA -1.134 57.057 58.100 0.152 0.000 1.050 523 Y CB 1.378 39.888 38.460 0.084 0.000 1.280 523 Y HN -0.406 nan 8.280 nan 0.000 0.474 524 T N 3.325 118.178 114.554 0.498 0.000 2.937 524 T HA 0.316 4.665 4.350 -0.001 0.000 0.297 524 T C -2.257 172.788 174.700 0.575 0.000 0.991 524 T CA -0.517 61.852 62.100 0.447 0.000 0.990 524 T CB 0.656 69.691 68.868 0.279 0.000 0.991 524 T HN 0.661 nan 8.240 nan 0.000 0.440 525 Y N 4.128 124.668 120.300 0.400 0.000 2.376 525 Y HA 0.794 5.344 4.550 -0.001 0.000 0.340 525 Y C -1.867 174.198 175.900 0.276 0.000 0.965 525 Y CA -1.793 56.517 58.100 0.350 0.000 1.078 525 Y CB 1.158 39.809 38.460 0.318 0.000 1.193 525 Y HN 0.600 nan 8.280 nan 0.000 0.452 526 L N 6.324 127.504 121.223 -0.072 0.000 2.455 526 L HA 0.643 4.982 4.340 -0.001 0.000 0.264 526 L C -1.838 174.975 176.870 -0.094 0.000 0.968 526 L CA -0.679 54.070 54.840 -0.151 0.000 0.827 526 L CB 2.094 44.252 42.059 0.165 0.000 1.317 526 L HN 0.724 nan 8.230 nan 0.000 0.407 527 K N 2.928 123.219 120.400 -0.181 0.000 2.482 527 K HA 0.847 5.166 4.320 -0.001 0.000 0.251 527 K C -1.172 175.479 176.600 0.085 0.000 0.936 527 K CA -0.462 55.828 56.287 0.006 0.000 0.791 527 K CB 1.957 34.468 32.500 0.019 0.000 1.213 527 K HN 0.872 nan 8.250 nan 0.000 0.428 528 G N 1.580 110.456 108.800 0.127 0.000 2.574 528 G HA2 0.262 4.222 3.960 -0.001 0.000 0.299 528 G HA3 0.262 4.222 3.960 -0.001 0.000 0.299 528 G C -1.681 173.272 174.900 0.089 0.000 1.298 528 G CA -0.432 44.745 45.100 0.129 0.000 0.952 528 G HN 0.585 nan 8.290 nan 0.000 0.477 529 D N 1.198 121.645 120.400 0.079 0.000 2.427 529 D HA 0.212 4.852 4.640 -0.001 0.000 0.226 529 D C 1.024 177.369 176.300 0.075 0.000 1.076 529 D CA -0.514 53.522 54.000 0.061 0.000 0.849 529 D CB 1.148 41.975 40.800 0.045 0.000 1.052 529 D HN 0.381 nan 8.370 nan 0.000 0.515 530 I N 0.992 121.625 120.570 0.105 0.000 3.856 530 I HA 0.157 4.327 4.170 -0.001 0.000 0.333 530 I C 1.010 177.254 176.117 0.212 0.000 1.525 530 I CA -0.509 60.882 61.300 0.151 0.000 1.173 530 I CB 0.234 38.357 38.000 0.204 0.000 1.175 530 I HN -0.014 nan 8.210 nan 0.000 0.424 531 T N 1.614 116.247 114.554 0.131 0.000 2.720 531 T HA -0.159 4.191 4.350 -0.001 0.000 0.268 531 T C 1.996 176.785 174.700 0.148 0.000 1.037 531 T CA 1.946 64.121 62.100 0.126 0.000 1.144 531 T CB -0.094 68.799 68.868 0.043 0.000 0.864 531 T HN 0.643 nan 8.240 nan 0.000 0.444 532 A N 0.830 123.691 122.820 0.068 0.000 2.239 532 A HA 0.449 4.768 4.320 -0.001 0.000 0.209 532 A C 2.409 179.984 177.584 -0.015 0.000 1.171 532 A CA 1.117 53.159 52.037 0.009 0.000 0.768 532 A CB -0.666 18.307 19.000 -0.046 0.000 0.790 532 A HN 0.493 nan 8.150 nan 0.000 0.478 533 A N -1.287 121.540 122.820 0.010 0.000 2.016 533 A HA 0.294 4.614 4.320 -0.001 0.000 0.217 533 A C 0.790 178.226 177.584 -0.247 0.000 1.162 533 A CA 0.498 52.449 52.037 -0.143 0.000 0.662 533 A CB -0.250 18.613 19.000 -0.227 0.000 0.812 533 A HN 0.475 nan 8.150 nan 0.000 0.450 534 Y N -0.115 120.166 120.300 -0.030 0.000 2.545 534 Y HA 0.463 5.013 4.550 -0.001 0.000 0.324 534 Y C 1.285 177.139 175.900 -0.076 0.000 1.220 534 Y CA -0.481 57.597 58.100 -0.036 0.000 1.290 534 Y CB 0.717 39.171 38.460 -0.010 0.000 1.355 534 Y HN 0.166 nan 8.280 nan 0.000 0.516 535 S N -0.004 115.734 115.700 0.063 0.000 2.661 535 S HA 0.407 4.876 4.470 -0.001 0.000 0.265 535 S C 1.164 175.762 174.600 -0.003 0.000 1.225 535 S CA -0.303 57.869 58.200 -0.046 0.000 0.986 535 S CB 0.752 63.854 63.200 -0.163 0.000 1.008 535 S HN 0.834 nan 8.310 nan 0.000 0.565 536 A N 0.470 123.273 122.820 -0.030 0.000 2.272 536 A HA -0.092 4.228 4.320 -0.001 0.000 0.213 536 A C 2.059 179.666 177.584 0.038 0.000 1.183 536 A CA 1.447 53.483 52.037 -0.002 0.000 0.719 536 A CB -1.094 17.898 19.000 -0.014 0.000 0.771 536 A HN 0.932 nan 8.150 nan 0.000 0.484 537 K N 0.066 120.493 120.400 0.044 0.000 2.360 537 K HA -0.034 4.285 4.320 -0.001 0.000 0.201 537 K C 0.358 177.059 176.600 0.169 0.000 1.046 537 K CA 1.268 57.651 56.287 0.160 0.000 0.945 537 K CB -0.830 31.648 32.500 -0.037 0.000 0.750 537 K HN 0.437 nan 8.250 nan 0.000 0.464 538 V N -1.224 118.724 119.914 0.058 0.000 2.581 538 V HA 0.342 4.462 4.120 -0.001 0.000 0.303 538 V C 0.491 176.581 176.094 -0.007 0.000 1.041 538 V CA -1.133 61.167 62.300 -0.001 0.000 0.907 538 V CB 2.005 33.767 31.823 -0.103 0.000 0.994 538 V HN -0.047 nan 8.190 nan 0.000 0.442 539 K N 1.356 121.740 120.400 -0.025 0.000 2.242 539 K HA 0.294 4.614 4.320 -0.001 0.000 0.200 539 K C 0.367 176.948 176.600 -0.032 0.000 1.050 539 K CA 0.707 56.979 56.287 -0.025 0.000 0.981 539 K CB 0.749 33.230 32.500 -0.031 0.000 0.795 539 K HN 0.929 nan 8.250 nan 0.000 0.477 540 E N 0.312 120.479 120.200 -0.055 0.000 2.397 540 E HA 0.208 4.558 4.350 -0.001 0.000 0.293 540 E C -1.892 174.651 176.600 -0.096 0.000 0.930 540 E CA -0.332 56.033 56.400 -0.058 0.000 0.793 540 E CB 1.965 31.631 29.700 -0.056 0.000 1.259 540 E HN -0.242 nan 8.360 nan 0.000 0.406 541 V N 4.260 124.131 119.914 -0.072 0.000 2.524 541 V HA 0.471 4.590 4.120 -0.001 0.000 0.297 541 V C -0.572 175.499 176.094 -0.038 0.000 1.035 541 V CA -0.780 61.465 62.300 -0.091 0.000 0.867 541 V CB 1.654 33.399 31.823 -0.130 0.000 1.004 541 V HN 0.558 nan 8.190 nan 0.000 0.426 542 K N 3.449 123.803 120.400 -0.078 0.000 2.316 542 K HA 0.789 5.109 4.320 -0.001 0.000 0.251 542 K C -0.698 175.836 176.600 -0.110 0.000 0.934 542 K CA -0.918 55.332 56.287 -0.061 0.000 0.802 542 K CB 3.024 35.487 32.500 -0.063 0.000 1.171 542 K HN 0.646 nan 8.250 nan 0.000 0.426 543 R N 1.185 121.626 120.500 -0.099 0.000 2.538 543 R HA 0.346 4.685 4.340 -0.001 0.000 0.292 543 R C -1.448 174.685 176.300 -0.278 0.000 1.008 543 R CA -0.381 55.581 56.100 -0.230 0.000 0.896 543 R CB 1.630 31.776 30.300 -0.257 0.000 1.187 543 R HN 0.575 nan 8.270 nan 0.000 0.440 544 S N 4.349 119.880 115.700 -0.282 0.000 2.449 544 S HA 0.525 4.994 4.470 -0.001 0.000 0.310 544 S C -1.127 173.386 174.600 -0.144 0.000 1.096 544 S CA -0.485 57.671 58.200 -0.073 0.000 1.095 544 S CB 0.665 63.974 63.200 0.181 0.000 1.007 544 S HN 0.392 nan 8.310 nan 0.000 0.474 545 F N 2.256 122.357 119.950 0.252 0.000 2.436 545 F HA 0.601 5.127 4.527 -0.001 0.000 0.340 545 F C -0.109 175.937 175.800 0.410 0.000 1.113 545 F CA -0.885 57.270 58.000 0.259 0.000 1.022 545 F CB 1.058 40.182 39.000 0.206 0.000 1.128 545 F HN 0.328 nan 8.300 nan 0.000 0.466 546 L N 5.052 126.609 121.223 0.558 0.000 2.442 546 L HA 0.432 4.772 4.340 -0.001 0.000 0.261 546 L C -1.192 175.903 176.870 0.375 0.000 1.000 546 L CA -0.542 54.594 54.840 0.493 0.000 0.882 546 L CB 0.489 42.775 42.059 0.377 0.000 1.207 546 L HN 0.576 nan 8.230 nan 0.000 0.443 547 F N 5.036 125.145 119.950 0.265 0.000 2.443 547 F HA 0.520 5.047 4.527 -0.001 0.000 0.353 547 F C -0.909 174.990 175.800 0.164 0.000 1.101 547 F CA -0.075 58.031 58.000 0.176 0.000 1.226 547 F CB 0.617 39.701 39.000 0.140 0.000 1.140 547 F HN 0.264 nan 8.300 nan 0.000 0.557 548 L N 5.974 126.866 121.223 -0.551 0.000 2.325 548 L HA 0.294 4.633 4.340 -0.001 0.000 0.281 548 L C -0.557 175.947 176.870 -0.612 0.000 1.004 548 L CA -0.930 53.706 54.840 -0.339 0.000 0.823 548 L CB 1.408 43.339 42.059 -0.213 0.000 1.236 548 L HN 0.578 nan 8.230 nan 0.000 0.415 549 N N 3.622 122.238 118.700 -0.141 0.000 2.406 549 N HA 0.210 4.950 4.740 -0.001 0.000 0.251 549 N C 0.412 175.896 175.510 -0.043 0.000 1.069 549 N CA -0.028 53.013 53.050 -0.016 0.000 0.947 549 N CB 1.015 39.606 38.487 0.174 0.000 1.111 549 N HN 0.611 nan 8.380 nan 0.000 0.497 550 L N 2.629 123.802 121.223 -0.084 0.000 2.554 550 L HA 0.103 4.443 4.340 -0.001 0.000 0.226 550 L C 0.481 177.339 176.870 -0.020 0.000 1.137 550 L CA -0.020 54.779 54.840 -0.067 0.000 0.863 550 L CB -0.224 41.781 42.059 -0.091 0.000 0.985 550 L HN 0.473 nan 8.230 nan 0.000 0.451 551 K N 1.332 121.734 120.400 0.003 0.000 3.257 551 K HA -0.220 4.099 4.320 -0.001 0.000 0.270 551 K C -0.550 176.063 176.600 0.022 0.000 0.984 551 K CA 0.744 57.044 56.287 0.021 0.000 0.739 551 K CB -1.735 30.781 32.500 0.027 0.000 1.351 551 K HN 0.397 nan 8.250 nan 0.000 0.463 552 D N -1.729 118.684 120.400 0.023 0.000 2.947 552 D HA 0.574 5.214 4.640 -0.001 0.000 0.224 552 D C 0.701 177.021 176.300 0.033 0.000 1.230 552 D CA 0.125 54.145 54.000 0.034 0.000 0.871 552 D CB 1.615 42.448 40.800 0.054 0.000 1.671 552 D HN 0.026 nan 8.370 nan 0.000 0.507 553 A N 3.740 126.585 122.820 0.040 0.000 1.898 553 A HA -0.094 4.226 4.320 -0.001 0.000 0.216 553 A C 1.783 179.395 177.584 0.047 0.000 1.181 553 A CA 1.271 53.338 52.037 0.050 0.000 0.620 553 A CB -0.217 18.813 19.000 0.049 0.000 0.819 553 A HN 0.595 nan 8.150 nan 0.000 0.442 554 K N -0.949 119.469 120.400 0.030 0.000 2.007 554 K HA 0.057 4.377 4.320 -0.001 0.000 0.206 554 K C -0.314 176.283 176.600 -0.004 0.000 1.047 554 K CA 1.180 57.475 56.287 0.014 0.000 0.937 554 K CB 0.041 32.533 32.500 -0.012 0.000 0.718 554 K HN 0.241 nan 8.250 nan 0.000 0.438 555 V N 3.027 122.940 119.914 -0.002 0.000 2.320 555 V HA 0.109 4.228 4.120 -0.001 0.000 0.268 555 V C -2.021 174.054 176.094 -0.031 0.000 1.021 555 V CA -1.125 61.165 62.300 -0.017 0.000 0.813 555 V CB 1.255 33.100 31.823 0.036 0.000 1.054 555 V HN 0.116 nan 8.190 nan 0.000 0.444 556 P HA 0.077 nan 4.420 nan 0.000 0.221 556 P C 0.414 177.641 177.300 -0.122 0.000 1.150 556 P CA 1.027 64.064 63.100 -0.106 0.000 0.800 556 P CB 0.859 32.461 31.700 -0.163 0.000 0.787 557 A N -1.376 121.334 122.820 -0.183 0.000 2.604 557 A HA 0.705 5.024 4.320 -0.001 0.000 0.295 557 A C -1.254 176.162 177.584 -0.280 0.000 1.067 557 A CA -0.179 51.683 52.037 -0.292 0.000 0.683 557 A CB 1.380 20.224 19.000 -0.259 0.000 1.281 557 A HN 0.206 nan 8.150 nan 0.000 0.407 561 V N 5.377 125.335 119.914 0.072 0.000 2.444 561 V HA 0.492 4.612 4.120 -0.001 0.000 0.294 561 V C -0.944 175.154 176.094 0.007 0.000 1.022 561 V CA -0.603 61.704 62.300 0.012 0.000 0.850 561 V CB 1.822 33.676 31.823 0.052 0.000 0.992 561 V HN 0.502 nan 8.190 nan 0.000 0.426 562 F N 4.417 124.151 119.950 -0.360 0.000 2.427 562 F HA 0.689 5.216 4.527 -0.001 0.000 0.348 562 F C -0.434 175.219 175.800 -0.245 0.000 1.125 562 F CA -0.903 56.829 58.000 -0.447 0.000 0.989 562 F CB 1.259 39.567 39.000 -1.154 0.000 1.165 562 F HN 0.512 nan 8.300 nan 0.000 0.442 563 D N 5.100 125.205 120.400 -0.493 0.000 2.342 563 D HA 0.292 4.931 4.640 -0.001 0.000 0.243 563 D C -1.158 174.832 176.300 -0.517 0.000 1.019 563 D CA -0.583 53.200 54.000 -0.361 0.000 0.864 563 D CB 2.500 43.313 40.800 0.022 0.000 1.315 563 D HN 0.494 nan 8.370 nan 0.000 0.468 564 K N 1.198 121.338 120.400 -0.434 0.000 2.463 564 K HA 0.501 4.821 4.320 -0.001 0.000 0.255 564 K C -1.722 174.666 176.600 -0.354 0.000 0.942 564 K CA -0.637 55.326 56.287 -0.540 0.000 0.814 564 K CB 1.353 33.590 32.500 -0.439 0.000 1.122 564 K HN 0.157 nan 8.250 nan 0.000 0.425 565 V N 4.265 123.959 119.914 -0.367 0.000 2.483 565 V HA 0.379 4.498 4.120 -0.001 0.000 0.297 565 V C -0.748 175.205 176.094 -0.236 0.000 1.027 565 V CA -0.964 61.202 62.300 -0.222 0.000 0.855 565 V CB 1.694 33.462 31.823 -0.091 0.000 0.995 565 V HN 0.507 nan 8.190 nan 0.000 0.424 566 V N 4.079 123.885 119.914 -0.179 0.000 2.326 566 V HA 0.726 4.846 4.120 -0.001 0.000 0.281 566 V C 0.551 176.593 176.094 -0.086 0.000 1.015 566 V CA -0.522 61.696 62.300 -0.137 0.000 0.823 566 V CB 1.435 33.186 31.823 -0.120 0.000 1.009 566 V HN 0.989 nan 8.190 nan 0.000 0.436 567 A N 3.497 126.281 122.820 -0.061 0.000 2.340 567 A HA 0.562 4.882 4.320 -0.001 0.000 0.268 567 A C 1.260 178.817 177.584 -0.044 0.000 1.100 567 A CA -0.161 51.874 52.037 -0.003 0.000 0.803 567 A CB 0.738 19.765 19.000 0.045 0.000 1.043 567 A HN 0.750 nan 8.150 nan 0.000 0.488 568 S N 0.713 116.412 115.700 -0.001 0.000 2.453 568 S HA -0.024 4.446 4.470 -0.001 0.000 0.231 568 S C 0.752 175.223 174.600 -0.215 0.000 1.005 568 S CA 0.722 58.890 58.200 -0.054 0.000 0.949 568 S CB -0.183 63.041 63.200 0.040 0.000 0.774 568 S HN 0.745 nan 8.310 nan 0.000 0.510 569 N N 0.499 118.904 118.700 -0.490 0.000 2.410 569 N HA 0.258 4.998 4.740 -0.001 0.000 0.287 569 N C -2.564 172.605 175.510 -0.569 0.000 1.044 569 N CA -1.987 50.615 53.050 -0.746 0.000 0.881 569 N CB 2.000 39.544 38.487 -1.571 0.000 1.405 569 N HN -0.170 nan 8.380 nan 0.000 0.490 570 P HA -0.073 nan 4.420 nan 0.000 0.221 570 P C 0.111 177.330 177.300 -0.134 0.000 1.145 570 P CA 1.130 64.125 63.100 -0.174 0.000 0.795 570 P CB 0.510 32.135 31.700 -0.124 0.000 0.775 571 D N -1.167 119.115 120.400 -0.196 0.000 2.340 571 D HA 0.068 4.707 4.640 -0.001 0.000 0.220 571 D C 0.315 176.703 176.300 0.147 0.000 1.039 571 D CA 0.057 54.030 54.000 -0.045 0.000 0.866 571 D CB -0.190 40.589 40.800 -0.035 0.000 0.913 571 D HN 0.293 nan 8.370 nan 0.000 0.523 572 F N 1.984 121.957 119.950 0.038 0.000 2.434 572 F HA 0.141 4.668 4.527 -0.001 0.000 0.358 572 F C 1.211 177.068 175.800 0.095 0.000 1.136 572 F CA -0.821 57.224 58.000 0.074 0.000 1.157 572 F CB 0.590 39.613 39.000 0.039 0.000 1.167 572 F HN -0.452 nan 8.300 nan 0.000 0.539 573 K N 5.053 125.652 120.400 0.332 0.000 2.447 573 K HA 0.074 4.394 4.320 -0.001 0.000 0.281 573 K C -0.226 176.462 176.600 0.146 0.000 1.031 573 K CA -0.077 56.310 56.287 0.166 0.000 1.019 573 K CB 0.589 33.176 32.500 0.145 0.000 0.918 573 K HN 0.571 nan 8.250 nan 0.000 0.476 574 K N 3.168 123.568 120.400 -0.000 0.000 2.118 574 K HA 0.333 4.652 4.320 -0.001 0.000 0.267 574 K C -0.858 175.686 176.600 -0.093 0.000 0.991 574 K CA -0.464 55.885 56.287 0.103 0.000 0.916 574 K CB 0.829 33.431 32.500 0.170 0.000 1.041 574 K HN 0.309 nan 8.250 nan 0.000 0.455 575 F N 0.758 120.888 119.950 0.301 0.000 2.569 575 F HA 0.269 4.796 4.527 -0.001 0.000 0.312 575 F C -0.823 175.042 175.800 0.108 0.000 1.109 575 F CA -0.752 57.402 58.000 0.256 0.000 0.919 575 F CB 1.253 40.394 39.000 0.234 0.000 1.211 575 F HN 0.510 nan 8.300 nan 0.000 0.446 576 W N 5.893 127.145 121.300 -0.082 0.000 2.429 576 W HA 0.775 5.435 4.660 -0.001 0.000 0.314 576 W C -1.778 174.744 176.519 0.005 0.000 1.062 576 W CA -0.793 56.365 57.345 -0.311 0.000 1.211 576 W CB 1.044 30.021 29.460 -0.804 0.000 1.305 576 W HN 0.346 nan 8.180 nan 0.000 0.476 577 L N 7.145 128.161 121.223 -0.346 0.000 2.334 577 L HA 0.625 4.964 4.340 -0.001 0.000 0.276 577 L C -0.946 175.577 176.870 -0.578 0.000 1.014 577 L CA -1.431 53.231 54.840 -0.297 0.000 0.815 577 L CB 1.476 43.444 42.059 -0.152 0.000 1.268 577 L HN 0.291 nan 8.230 nan 0.000 0.428 578 L N 2.939 123.960 121.223 -0.338 0.000 2.446 578 L HA 0.444 4.784 4.340 -0.001 0.000 0.268 578 L C -0.745 176.049 176.870 -0.127 0.000 0.975 578 L CA -0.030 54.676 54.840 -0.223 0.000 0.848 578 L CB 0.971 43.040 42.059 0.016 0.000 1.225 578 L HN 0.454 nan 8.230 nan 0.000 0.410 579 H N 2.493 121.527 119.070 -0.060 0.000 2.482 579 H HA 0.815 5.371 4.556 -0.001 0.000 0.344 579 H C -0.337 175.035 175.328 0.074 0.000 1.151 579 H CA -0.028 56.044 56.048 0.040 0.000 1.300 579 H CB 1.878 31.656 29.762 0.026 0.000 1.494 579 H HN 0.742 nan 8.280 nan 0.000 0.542 580 S N 0.807 116.656 115.700 0.248 0.000 2.671 580 S HA 0.362 4.831 4.470 -0.001 0.000 0.277 580 S C 0.669 175.398 174.600 0.215 0.000 1.165 580 S CA -0.813 57.504 58.200 0.194 0.000 0.822 580 S CB 1.048 64.339 63.200 0.152 0.000 1.150 580 S HN 0.496 nan 8.310 nan 0.000 0.479 581 I N 0.861 121.527 120.570 0.160 0.000 2.270 581 I HA 0.102 4.271 4.170 -0.001 0.000 0.239 581 I C 1.066 177.321 176.117 0.229 0.000 1.080 581 I CA 0.735 62.127 61.300 0.152 0.000 1.383 581 I CB -0.181 37.869 38.000 0.083 0.000 1.097 581 I HN 0.665 nan 8.210 nan 0.000 0.420 582 E N 1.084 121.375 120.200 0.152 0.000 2.312 582 E HA 0.174 4.524 4.350 -0.001 0.000 0.259 582 E C -0.337 176.201 176.600 -0.104 0.000 1.122 582 E CA -0.585 55.869 56.400 0.090 0.000 0.922 582 E CB 0.609 30.317 29.700 0.013 0.000 1.109 582 E HN 0.153 nan 8.360 nan 0.000 0.442 583 Q N 2.233 121.748 119.800 -0.475 0.000 2.297 583 Q HA 0.128 4.468 4.340 -0.001 0.000 0.267 583 Q C -2.099 173.594 176.000 -0.512 0.000 1.006 583 Q CA -1.691 53.471 55.803 -1.068 0.000 0.896 583 Q CB 0.574 28.511 28.738 -1.336 0.000 1.186 583 Q HN 0.210 nan 8.270 nan 0.000 0.392 584 P HA 0.114 nan 4.420 nan 0.000 0.277 584 P C -1.323 175.868 177.300 -0.181 0.000 1.240 584 P CA -0.178 62.811 63.100 -0.184 0.000 0.798 584 P CB 0.869 32.524 31.700 -0.075 0.000 0.979 585 E N 1.529 121.669 120.200 -0.101 0.000 2.146 585 E HA 0.384 4.734 4.350 -0.001 0.000 0.282 585 E C -0.364 176.215 176.600 -0.035 0.000 0.989 585 E CA -0.441 55.913 56.400 -0.076 0.000 0.799 585 E CB 0.765 30.431 29.700 -0.056 0.000 1.088 585 E HN 0.387 nan 8.360 nan 0.000 0.397 586 I N 3.938 124.490 120.570 -0.031 0.000 2.328 586 I HA 0.198 4.368 4.170 -0.001 0.000 0.287 586 I C -0.039 176.076 176.117 -0.003 0.000 1.012 586 I CA -0.408 60.891 61.300 -0.001 0.000 1.195 586 I CB 0.592 38.598 38.000 0.011 0.000 1.350 586 I HN 0.224 nan 8.210 nan 0.000 0.464 587 K N 5.866 126.268 120.400 0.004 0.000 2.579 587 K HA 0.476 4.795 4.320 -0.001 0.000 0.225 587 K C 0.446 177.049 176.600 0.006 0.000 0.992 587 K CA -0.241 56.047 56.287 0.001 0.000 1.018 587 K CB 1.758 34.255 32.500 -0.004 0.000 1.249 587 K HN 0.898 nan 8.250 nan 0.000 0.489 588 G N 3.481 112.285 108.800 0.007 0.000 2.543 588 G HA2 -0.384 3.576 3.960 -0.001 0.000 0.286 588 G HA3 -0.384 3.576 3.960 -0.001 0.000 0.286 588 G C 0.319 175.226 174.900 0.012 0.000 1.153 588 G CA 0.450 45.555 45.100 0.007 0.000 0.968 588 G HN 0.673 nan 8.290 nan 0.000 0.544 589 N N 1.373 120.078 118.700 0.008 0.000 2.313 589 N HA 0.219 4.959 4.740 -0.001 0.000 0.207 589 N C 0.534 176.051 175.510 0.012 0.000 1.141 589 N CA 0.926 53.979 53.050 0.006 0.000 0.830 589 N CB 0.755 39.238 38.487 -0.006 0.000 1.008 589 N HN 0.769 nan 8.380 nan 0.000 0.481 590 Q N 0.709 120.520 119.800 0.018 0.000 2.348 590 Q HA 0.525 4.864 4.340 -0.001 0.000 0.265 590 Q C -1.252 174.769 176.000 0.036 0.000 0.998 590 Q CA -0.406 55.412 55.803 0.025 0.000 0.831 590 Q CB 1.096 29.843 28.738 0.016 0.000 1.251 590 Q HN 0.279 nan 8.270 nan 0.000 0.456 591 I N 2.670 123.274 120.570 0.058 0.000 2.377 591 I HA 0.441 4.611 4.170 -0.001 0.000 0.293 591 I C -0.405 175.751 176.117 0.065 0.000 0.987 591 I CA -0.503 60.839 61.300 0.071 0.000 1.185 591 I CB 2.190 40.266 38.000 0.126 0.000 1.341 591 I HN 0.473 nan 8.210 nan 0.000 0.455 592 T N 6.971 121.549 114.554 0.039 0.000 2.840 592 T HA 0.620 4.970 4.350 -0.001 0.000 0.287 592 T C -0.378 174.333 174.700 0.019 0.000 0.991 592 T CA -0.322 61.797 62.100 0.031 0.000 0.964 592 T CB 1.036 69.911 68.868 0.012 0.000 0.954 592 T HN 0.251 nan 8.240 nan 0.000 0.438 593 I N 3.374 123.969 120.570 0.040 0.000 2.465 593 I HA 0.481 4.651 4.170 -0.001 0.000 0.291 593 I C -0.076 176.061 176.117 0.032 0.000 1.014 593 I CA -0.820 60.500 61.300 0.033 0.000 1.093 593 I CB 1.806 39.847 38.000 0.070 0.000 1.267 593 I HN 0.317 nan 8.210 nan 0.000 0.431 594 K N 5.506 125.913 120.400 0.011 0.000 2.340 594 K HA 0.655 4.975 4.320 -0.001 0.000 0.244 594 K C -0.876 175.729 176.600 0.008 0.000 0.973 594 K CA -1.167 55.127 56.287 0.011 0.000 0.828 594 K CB 2.042 34.541 32.500 -0.002 0.000 1.226 594 K HN 0.302 nan 8.250 nan 0.000 0.437 595 R N 1.046 121.548 120.500 0.003 0.000 2.445 595 R HA 0.332 4.671 4.340 -0.001 0.000 0.308 595 R C -0.256 176.038 176.300 -0.009 0.000 0.961 595 R CA -0.357 55.740 56.100 -0.006 0.000 0.862 595 R CB 1.423 31.707 30.300 -0.026 0.000 1.144 595 R HN 0.929 nan 8.270 nan 0.000 0.447 596 T N -1.407 113.144 114.554 -0.004 0.000 3.567 596 T HA 0.360 4.710 4.350 -0.001 0.000 0.314 596 T C 0.049 174.750 174.700 0.000 0.000 0.942 596 T CA -0.505 61.592 62.100 -0.004 0.000 0.997 596 T CB 0.453 69.318 68.868 -0.005 0.000 1.205 596 T HN 0.309 nan 8.240 nan 0.000 0.518 597 K N 1.435 121.838 120.400 0.004 0.000 2.482 597 K HA 0.554 4.874 4.320 -0.001 0.000 0.257 597 K C -0.334 176.273 176.600 0.012 0.000 0.969 597 K CA -1.120 55.173 56.287 0.010 0.000 0.842 597 K CB 1.451 33.961 32.500 0.016 0.000 1.359 597 K HN -0.074 nan 8.250 nan 0.000 0.441 598 N N 0.359 119.069 118.700 0.016 0.000 2.741 598 N HA -0.239 4.501 4.740 -0.001 0.000 0.251 598 N C 0.553 176.075 175.510 0.019 0.000 1.112 598 N CA 1.267 54.329 53.050 0.021 0.000 0.750 598 N CB -0.985 37.520 38.487 0.030 0.000 1.119 598 N HN 1.112 nan 8.380 nan 0.000 0.561 599 G N -0.682 108.123 108.800 0.010 0.000 2.176 599 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.253 599 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.253 599 G C -0.336 174.558 174.900 -0.010 0.000 0.979 599 G CA 0.484 45.586 45.100 0.004 0.000 0.641 599 G HN 0.477 nan 8.290 nan 0.000 0.530 600 D N 0.570 120.962 120.400 -0.013 0.000 2.351 600 D HA 0.529 5.168 4.640 -0.001 0.000 0.251 600 D C 1.118 177.387 176.300 -0.052 0.000 1.137 600 D CA 0.813 54.787 54.000 -0.043 0.000 0.879 600 D CB 1.443 42.222 40.800 -0.034 0.000 1.181 600 D HN 0.502 nan 8.370 nan 0.000 0.448 601 S N 0.269 115.917 115.700 -0.087 0.000 3.021 601 S HA 0.358 4.828 4.470 -0.001 0.000 0.252 601 S C 0.592 175.156 174.600 -0.060 0.000 0.996 601 S CA -0.739 57.423 58.200 -0.062 0.000 1.084 601 S CB 0.258 63.427 63.200 -0.052 0.000 1.021 601 S HN 0.374 nan 8.310 nan 0.000 0.566 605 V N 4.439 124.406 119.914 0.088 0.000 2.443 605 V HA 0.433 4.552 4.120 -0.001 0.000 0.293 605 V C -0.360 175.790 176.094 0.094 0.000 1.021 605 V CA -0.524 61.823 62.300 0.078 0.000 0.848 605 V CB 1.653 33.505 31.823 0.048 0.000 0.998 605 V HN 0.749 nan 8.190 nan 0.000 0.424 606 N N 2.840 121.609 118.700 0.115 0.000 2.426 606 N HA 0.311 5.050 4.740 -0.001 0.000 0.275 606 N C -0.666 174.881 175.510 0.061 0.000 1.019 606 N CA -0.255 52.867 53.050 0.121 0.000 0.941 606 N CB 1.649 40.261 38.487 0.209 0.000 1.123 606 N HN 0.614 nan 8.380 nan 0.000 0.486 607 T N 2.100 116.671 114.554 0.030 0.000 2.743 607 T HA 0.397 4.747 4.350 -0.001 0.000 0.292 607 T C 0.017 174.694 174.700 -0.038 0.000 0.972 607 T CA -0.559 61.541 62.100 0.001 0.000 0.967 607 T CB 1.066 69.935 68.868 0.002 0.000 0.926 607 T HN 0.553 nan 8.240 nan 0.000 0.459 608 A N 4.112 126.902 122.820 -0.050 0.000 2.310 608 A HA 0.529 4.849 4.320 -0.001 0.000 0.300 608 A C 0.958 178.503 177.584 -0.065 0.000 1.269 608 A CA -0.481 51.499 52.037 -0.095 0.000 0.909 608 A CB -0.124 18.826 19.000 -0.083 0.000 1.144 608 A HN 0.981 nan 8.150 nan 0.000 0.540 609 L N 2.214 123.395 121.223 -0.070 0.000 2.316 609 L HA 0.293 4.633 4.340 -0.001 0.000 0.207 609 L C -0.007 176.836 176.870 -0.045 0.000 1.070 609 L CA 0.670 55.481 54.840 -0.049 0.000 0.820 609 L CB -0.067 41.965 42.059 -0.044 0.000 0.992 609 L HN 0.544 nan 8.230 nan 0.000 0.466 610 L N 0.198 121.393 121.223 -0.047 0.000 2.422 610 L HA 0.451 4.791 4.340 -0.001 0.000 0.264 610 L C -2.448 174.351 176.870 -0.118 0.000 0.984 610 L CA -1.988 52.822 54.840 -0.050 0.000 0.819 610 L CB 2.410 44.480 42.059 0.018 0.000 1.330 610 L HN -0.254 nan 8.230 nan 0.000 0.410 611 P HA -0.015 nan 4.420 nan 0.000 0.269 611 P C -0.721 176.534 177.300 -0.075 0.000 1.217 611 P CA -0.254 62.766 63.100 -0.132 0.000 0.783 611 P CB 0.564 32.159 31.700 -0.174 0.000 0.898 612 D N 0.070 120.437 120.400 -0.054 0.000 2.429 612 D HA -0.038 4.602 4.640 -0.001 0.000 0.233 612 D C 1.562 177.843 176.300 -0.032 0.000 1.202 612 D CA 0.451 54.429 54.000 -0.038 0.000 0.879 612 D CB 0.494 41.276 40.800 -0.030 0.000 1.212 612 D HN 0.323 nan 8.370 nan 0.000 0.465 613 A N 2.280 125.086 122.820 -0.024 0.000 2.024 613 A HA -0.139 4.181 4.320 -0.001 0.000 0.220 613 A C 1.903 179.479 177.584 -0.014 0.000 1.164 613 A CA 2.088 54.115 52.037 -0.016 0.000 0.643 613 A CB -0.371 18.622 19.000 -0.012 0.000 0.806 613 A HN 0.567 nan 8.150 nan 0.000 0.451 614 A N -1.279 121.532 122.820 -0.016 0.000 2.235 614 A HA 0.067 4.386 4.320 -0.001 0.000 0.208 614 A C 1.490 179.064 177.584 -0.018 0.000 1.172 614 A CA 1.374 53.403 52.037 -0.014 0.000 0.786 614 A CB -0.340 18.652 19.000 -0.013 0.000 0.804 614 A HN 0.493 nan 8.150 nan 0.000 0.479 615 N N -0.752 117.933 118.700 -0.025 0.000 2.143 615 N HA 0.032 4.772 4.740 -0.001 0.000 0.229 615 N C -0.389 175.097 175.510 -0.040 0.000 1.294 615 N CA 0.618 53.647 53.050 -0.035 0.000 0.883 615 N CB 0.645 39.103 38.487 -0.047 0.000 1.148 615 N HN 0.230 nan 8.380 nan 0.000 0.511 616 S N -0.301 115.384 115.700 -0.025 0.000 2.449 616 S HA 0.537 5.007 4.470 -0.001 0.000 0.310 616 S C -0.790 173.819 174.600 0.015 0.000 1.096 616 S CA -0.872 57.323 58.200 -0.008 0.000 1.095 616 S CB 1.105 64.301 63.200 -0.006 0.000 1.007 616 S HN 0.042 nan 8.310 nan 0.000 0.474 617 N N 2.896 121.615 118.700 0.032 0.000 2.419 617 N HA 0.444 5.184 4.740 -0.001 0.000 0.277 617 N C -1.049 174.512 175.510 0.084 0.000 1.006 617 N CA -0.369 52.710 53.050 0.048 0.000 0.923 617 N CB 1.393 39.905 38.487 0.041 0.000 1.140 617 N HN 0.676 nan 8.380 nan 0.000 0.488 618 I N 1.755 122.375 120.570 0.083 0.000 2.405 618 I HA 0.184 4.353 4.170 -0.001 0.000 0.280 618 I C -0.135 176.043 176.117 0.101 0.000 1.027 618 I CA -0.301 61.066 61.300 0.111 0.000 1.161 618 I CB 1.015 39.074 38.000 0.098 0.000 1.300 618 I HN 0.152 nan 8.210 nan 0.000 0.463 619 T N 3.665 118.294 114.554 0.125 0.000 2.797 619 T HA 0.372 4.722 4.350 -0.001 0.000 0.279 619 T C 0.145 174.916 174.700 0.119 0.000 0.991 619 T CA -0.671 61.493 62.100 0.107 0.000 0.979 619 T CB 1.476 70.409 68.868 0.109 0.000 0.943 619 T HN 0.611 nan 8.240 nan 0.000 0.444 620 S N 3.189 118.952 115.700 0.105 0.000 2.541 620 S HA 0.766 5.235 4.470 -0.001 0.000 0.283 620 S C -0.439 174.273 174.600 0.187 0.000 1.196 620 S CA -0.806 57.486 58.200 0.152 0.000 1.062 620 S CB 0.314 63.584 63.200 0.118 0.000 1.009 620 S HN 0.617 nan 8.310 nan 0.000 0.502 621 I N 2.039 122.731 120.570 0.204 0.000 2.569 621 I HA 0.736 4.906 4.170 -0.001 0.000 0.290 621 I C 0.534 176.628 176.117 -0.039 0.000 1.088 621 I CA -0.499 60.826 61.300 0.042 0.000 1.047 621 I CB 1.827 39.770 38.000 -0.094 0.000 1.237 621 I HN 1.058 nan 8.210 nan 0.000 0.421 622 G N 3.213 111.723 108.800 -0.483 0.000 2.404 622 G HA2 0.517 4.477 3.960 -0.001 0.000 0.253 622 G HA3 0.517 4.477 3.960 -0.001 0.000 0.253 622 G C -0.376 173.485 174.900 -1.731 0.000 1.253 622 G CA 0.283 44.695 45.100 -1.148 0.000 0.917 622 G HN 1.285 nan 8.290 nan 0.000 0.480 623 G N -0.801 106.736 108.800 -2.106 0.000 2.782 623 G HA2 0.044 4.004 3.960 -0.001 0.000 0.228 623 G HA3 0.044 4.004 3.960 -0.001 0.000 0.228 623 G C -0.054 174.483 174.900 -0.605 0.000 1.372 623 G CA 0.213 44.681 45.100 -1.052 0.000 0.862 623 G HN 0.965 nan 8.290 nan 0.000 0.547 624 K N 0.813 121.007 120.400 -0.343 0.000 2.484 624 K HA 0.349 4.669 4.320 -0.001 0.000 0.280 624 K C 1.566 178.019 176.600 -0.245 0.000 1.013 624 K CA 1.313 57.443 56.287 -0.260 0.000 1.029 624 K CB 0.359 32.765 32.500 -0.156 0.000 0.902 624 K HN 2.224 nan 8.250 nan 0.000 0.481 625 G N 2.525 111.197 108.800 -0.214 0.000 2.267 625 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.257 625 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.257 625 G C 0.642 175.461 174.900 -0.135 0.000 0.998 625 G CA 0.172 45.185 45.100 -0.145 0.000 0.620 625 G HN 0.572 nan 8.290 nan 0.000 0.529 626 K N 0.587 120.825 120.400 -0.269 0.000 2.517 626 K HA 0.133 4.452 4.320 -0.001 0.000 0.210 626 K C 1.503 177.921 176.600 -0.303 0.000 1.166 626 K CA 0.638 56.768 56.287 -0.261 0.000 1.030 626 K CB 0.673 32.880 32.500 -0.489 0.000 0.974 626 K HN 0.546 nan 8.250 nan 0.000 0.585 627 D N 0.412 120.522 120.400 -0.483 0.000 2.144 627 D HA -0.176 4.464 4.640 -0.001 0.000 0.199 627 D C 0.554 176.444 176.300 -0.683 0.000 0.984 627 D CA 0.949 54.518 54.000 -0.718 0.000 0.834 627 D CB -0.291 39.920 40.800 -0.981 0.000 0.955 627 D HN 0.179 nan 8.370 nan 0.000 0.465 628 F N 0.190 119.969 119.950 -0.286 0.000 2.530 628 F HA 0.227 4.753 4.527 -0.001 0.000 0.318 628 F C 0.181 175.879 175.800 -0.170 0.000 1.356 628 F CA -1.452 56.169 58.000 -0.631 0.000 1.135 628 F CB 0.385 38.909 39.000 -0.794 0.000 1.315 628 F HN -0.069 nan 8.300 nan 0.000 0.549 629 W N 3.052 124.332 121.300 -0.033 0.000 2.311 629 W HA 0.524 5.184 4.660 -0.001 0.000 0.310 629 W C -1.465 175.105 176.519 0.085 0.000 1.274 629 W CA -0.366 56.974 57.345 -0.008 0.000 1.215 629 W CB 1.500 30.890 29.460 -0.117 0.000 1.227 629 W HN -0.207 nan 8.180 nan 0.000 0.523 630 V N 8.705 128.308 119.914 -0.517 0.000 2.385 630 V HA 0.114 4.234 4.120 -0.001 0.000 0.277 630 V C -0.198 175.585 176.094 -0.518 0.000 1.012 630 V CA -0.968 61.155 62.300 -0.294 0.000 0.832 630 V CB 0.353 32.247 31.823 0.118 0.000 1.028 630 V HN 0.509 nan 8.190 nan 0.000 0.436 631 F N 4.350 123.989 119.950 -0.517 0.000 2.729 631 F HA -0.180 4.347 4.527 -0.001 0.000 0.208 631 F C 1.550 177.160 175.800 -0.317 0.000 1.040 631 F CA 1.556 59.378 58.000 -0.297 0.000 0.844 631 F CB -0.977 37.894 39.000 -0.216 0.000 0.704 631 F HN 0.869 nan 8.300 nan 0.000 0.849 632 G N -1.354 107.135 108.800 -0.517 0.000 2.909 632 G HA2 -0.141 3.819 3.960 -0.001 0.000 0.198 632 G HA3 -0.141 3.819 3.960 -0.001 0.000 0.198 632 G C 0.042 174.544 174.900 -0.664 0.000 1.124 632 G CA -0.198 44.718 45.100 -0.307 0.000 0.796 632 G HN 0.466 nan 8.290 nan 0.000 0.489 633 T N 1.129 115.210 114.554 -0.789 0.000 2.823 633 T HA 0.585 4.934 4.350 -0.001 0.000 0.279 633 T C -0.490 173.665 174.700 -0.907 0.000 0.998 633 T CA -0.312 61.349 62.100 -0.733 0.000 0.994 633 T CB 1.976 70.483 68.868 -0.600 0.000 0.960 633 T HN 0.474 nan 8.240 nan 0.000 0.448 634 N N 1.082 119.445 118.700 -0.561 0.000 2.455 634 N HA 0.261 5.001 4.740 -0.001 0.000 0.280 634 N C -1.441 173.875 175.510 -0.323 0.000 1.055 634 N CA -0.468 52.460 53.050 -0.204 0.000 0.961 634 N CB 0.410 38.986 38.487 0.149 0.000 1.121 634 N HN 0.548 nan 8.380 nan 0.000 0.476 635 Y N 2.285 122.623 120.300 0.064 0.000 2.907 635 Y HA 0.186 4.736 4.550 -0.001 0.000 0.332 635 Y C 0.504 176.528 175.900 0.207 0.000 1.211 635 Y CA -0.820 57.355 58.100 0.125 0.000 1.387 635 Y CB -0.210 38.342 38.460 0.152 0.000 1.396 635 Y HN 0.435 nan 8.280 nan 0.000 0.519 636 T N -1.182 113.482 114.554 0.184 0.000 2.939 636 T HA 0.025 4.375 4.350 -0.001 0.000 0.319 636 T C 0.197 174.921 174.700 0.039 0.000 1.082 636 T CA -0.242 61.945 62.100 0.145 0.000 1.133 636 T CB 0.567 69.447 68.868 0.020 0.000 1.019 636 T HN 0.551 nan 8.240 nan 0.000 0.548 637 N N 1.019 119.748 118.700 0.049 0.000 2.946 637 N HA 0.146 4.886 4.740 -0.001 0.000 0.213 637 N C -1.804 173.713 175.510 0.013 0.000 1.440 637 N CA -0.409 52.539 53.050 -0.171 0.000 0.745 637 N CB 0.661 38.595 38.487 -0.921 0.000 1.471 637 N HN 0.551 nan 8.380 nan 0.000 0.569 638 D N 1.238 121.637 120.400 -0.001 0.000 2.339 638 D HA 0.266 4.905 4.640 -0.001 0.000 0.245 638 D C -2.217 174.088 176.300 0.009 0.000 1.115 638 D CA -0.953 53.051 54.000 0.007 0.000 0.917 638 D CB 0.889 41.681 40.800 -0.014 0.000 1.192 638 D HN 0.308 nan 8.370 nan 0.000 0.428 639 P HA 0.101 nan 4.420 nan 0.000 0.271 639 P C -0.376 176.936 177.300 0.020 0.000 1.216 639 P CA -0.182 62.940 63.100 0.037 0.000 0.771 639 P CB 0.566 32.299 31.700 0.054 0.000 0.864 640 K N 4.631 125.042 120.400 0.018 0.000 2.436 640 K HA 0.125 4.445 4.320 -0.001 0.000 0.275 640 K C -2.026 174.585 176.600 0.019 0.000 0.999 640 K CA -1.225 55.070 56.287 0.013 0.000 0.980 640 K CB -0.750 31.756 32.500 0.011 0.000 0.919 640 K HN 0.376 nan 8.250 nan 0.000 0.484 641 P HA -0.156 nan 4.420 nan 0.000 0.259 641 P C 0.456 177.768 177.300 0.020 0.000 1.155 641 P CA 1.258 64.367 63.100 0.014 0.000 0.759 641 P CB 0.236 31.942 31.700 0.009 0.000 0.753 642 G N 1.801 110.614 108.800 0.023 0.000 2.155 642 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.257 642 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.257 642 G C 0.231 175.153 174.900 0.036 0.000 0.983 642 G CA 0.422 45.538 45.100 0.026 0.000 0.676 642 G HN 0.855 nan 8.290 nan 0.000 0.528 643 T N -3.090 111.490 114.554 0.043 0.000 2.908 643 T HA 0.551 4.901 4.350 -0.001 0.000 0.290 643 T C -0.102 174.648 174.700 0.083 0.000 1.034 643 T CA 0.570 62.706 62.100 0.061 0.000 1.010 643 T CB 2.291 71.194 68.868 0.058 0.000 1.068 643 T HN 1.151 nan 8.240 nan 0.000 0.481 644 D N 1.619 122.089 120.400 0.118 0.000 2.812 644 D HA -0.146 4.494 4.640 -0.001 0.000 0.237 644 D C 1.118 177.472 176.300 0.090 0.000 1.162 644 D CA 0.988 55.080 54.000 0.152 0.000 0.740 644 D CB -0.615 40.313 40.800 0.214 0.000 1.000 644 D HN 0.813 nan 8.370 nan 0.000 0.416 645 E N -0.306 119.938 120.200 0.073 0.000 2.516 645 E HA -0.037 4.313 4.350 -0.001 0.000 0.199 645 E C 1.467 178.092 176.600 0.043 0.000 1.069 645 E CA 0.904 57.335 56.400 0.050 0.000 0.876 645 E CB -0.022 29.704 29.700 0.044 0.000 0.843 645 E HN 0.497 nan 8.360 nan 0.000 0.530 646 A N 0.725 123.572 122.820 0.044 0.000 2.343 646 A HA 0.298 4.617 4.320 -0.001 0.000 0.223 646 A C 1.243 178.832 177.584 0.009 0.000 1.214 646 A CA -0.111 51.944 52.037 0.029 0.000 0.900 646 A CB 0.055 19.076 19.000 0.036 0.000 0.942 646 A HN 0.181 nan 8.150 nan 0.000 0.507 647 L N -0.491 120.735 121.223 0.004 0.000 3.865 647 L HA -0.228 4.112 4.340 -0.001 0.000 0.408 647 L C 0.821 177.649 176.870 -0.069 0.000 1.209 647 L CA 1.126 55.962 54.840 -0.006 0.000 0.940 647 L CB -1.889 40.178 42.059 0.014 0.000 1.971 647 L HN 0.602 nan 8.230 nan 0.000 0.899 648 E N -0.344 119.727 120.200 -0.215 0.000 2.463 648 E HA -0.199 4.150 4.350 -0.001 0.000 0.201 648 E C 1.827 178.102 176.600 -0.540 0.000 1.045 648 E CA 0.831 56.982 56.400 -0.416 0.000 0.872 648 E CB -0.078 29.247 29.700 -0.626 0.000 0.797 648 E HN 0.743 nan 8.360 nan 0.000 0.538 649 R N 1.032 121.338 120.500 -0.323 0.000 2.241 649 R HA -0.041 4.299 4.340 -0.001 0.000 0.224 649 R C 0.810 177.281 176.300 0.284 0.000 1.101 649 R CA 0.950 57.115 56.100 0.108 0.000 0.995 649 R CB -0.581 29.904 30.300 0.308 0.000 0.870 649 R HN 0.024 nan 8.270 nan 0.000 0.463 650 G N 0.815 109.699 108.800 0.140 0.000 2.722 650 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.686 650 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.686 650 G C -0.342 174.594 174.900 0.059 0.000 1.282 650 G CA 0.071 45.274 45.100 0.172 0.000 0.817 650 G HN 0.369 nan 8.290 nan 0.000 0.605 651 E N -0.448 119.762 120.200 0.016 0.000 2.508 651 E HA 0.271 4.621 4.350 -0.001 0.000 0.217 651 E C 0.083 176.402 176.600 -0.468 0.000 0.896 651 E CA -0.296 55.939 56.400 -0.275 0.000 1.118 651 E CB 0.562 30.130 29.700 -0.220 0.000 1.133 651 E HN 0.517 nan 8.360 nan 0.000 0.526 652 W N 0.652 121.957 121.300 0.007 0.000 2.975 652 W HA 0.457 5.117 4.660 -0.001 0.000 0.342 652 W C -0.558 175.981 176.519 0.034 0.000 1.168 652 W CA -0.821 56.527 57.345 0.005 0.000 1.141 652 W CB 1.253 30.708 29.460 -0.009 0.000 1.445 652 W HN -0.200 nan 8.180 nan 0.000 0.560 653 R N -0.397 120.249 120.500 0.243 0.000 2.680 653 R HA 0.831 5.170 4.340 -0.001 0.000 0.269 653 R C -2.232 174.100 176.300 0.053 0.000 1.026 653 R CA -0.893 55.197 56.100 -0.018 0.000 0.889 653 R CB 1.351 31.415 30.300 -0.394 0.000 1.241 653 R HN 0.257 nan 8.270 nan 0.000 0.463 654 V N 1.553 121.475 119.914 0.013 0.000 2.483 654 V HA 0.381 4.500 4.120 -0.001 0.000 0.295 654 V C -0.361 175.812 176.094 0.132 0.000 1.035 654 V CA -0.631 61.734 62.300 0.109 0.000 0.896 654 V CB 1.658 33.584 31.823 0.171 0.000 0.986 654 V HN 0.767 nan 8.190 nan 0.000 0.447 655 E N 4.678 125.000 120.200 0.204 0.000 2.176 655 E HA 0.568 4.917 4.350 -0.001 0.000 0.267 655 E C -1.214 175.590 176.600 0.339 0.000 0.893 655 E CA -0.454 56.134 56.400 0.313 0.000 0.761 655 E CB 2.413 32.346 29.700 0.387 0.000 1.133 655 E HN 0.521 nan 8.360 nan 0.000 0.409 656 I N 2.302 123.123 120.570 0.419 0.000 2.339 656 I HA 0.299 4.469 4.170 -0.001 0.000 0.290 656 I C -0.011 176.342 176.117 0.393 0.000 0.994 656 I CA -0.422 61.107 61.300 0.381 0.000 1.191 656 I CB 1.863 40.105 38.000 0.402 0.000 1.343 656 I HN 0.380 nan 8.210 nan 0.000 0.458 657 T N 6.859 121.540 114.554 0.213 0.000 2.900 657 T HA 0.540 4.890 4.350 -0.001 0.000 0.295 657 T C -2.719 171.987 174.700 0.010 0.000 1.044 657 T CA -1.923 60.213 62.100 0.060 0.000 0.995 657 T CB 2.114 70.871 68.868 -0.184 0.000 1.072 657 T HN 0.191 nan 8.240 nan 0.000 0.473 658 P HA 0.365 nan 4.420 nan 0.000 0.274 658 P C 0.203 177.471 177.300 -0.053 0.000 1.231 658 P CA -0.353 62.696 63.100 -0.086 0.000 0.790 658 P CB 0.680 32.307 31.700 -0.121 0.000 0.951 659 K N 0.674 121.050 120.400 -0.041 0.000 2.116 659 K HA 0.005 4.325 4.320 -0.001 0.000 0.203 659 K C 0.400 176.986 176.600 -0.023 0.000 1.052 659 K CA 1.126 57.399 56.287 -0.023 0.000 0.952 659 K CB -0.006 32.485 32.500 -0.016 0.000 0.729 659 K HN 0.392 nan 8.250 nan 0.000 0.446 660 K N 0.997 121.378 120.400 -0.032 0.000 2.172 660 K HA 0.309 4.628 4.320 -0.001 0.000 0.276 660 K C -0.825 175.755 176.600 -0.033 0.000 1.013 660 K CA -0.515 55.755 56.287 -0.028 0.000 0.913 660 K CB 1.712 34.195 32.500 -0.029 0.000 1.055 660 K HN 0.030 nan 8.250 nan 0.000 0.461 661 A N 2.146 124.951 122.820 -0.025 0.000 2.444 661 A HA 0.477 4.796 4.320 -0.001 0.000 0.273 661 A C -0.422 177.137 177.584 -0.042 0.000 1.136 661 A CA -0.044 51.976 52.037 -0.029 0.000 0.799 661 A CB -0.125 18.863 19.000 -0.021 0.000 1.081 661 A HN 0.698 nan 8.150 nan 0.000 0.509 662 A N 1.853 124.642 122.820 -0.052 0.000 2.515 662 A HA 0.724 5.043 4.320 -0.001 0.000 0.298 662 A C 0.820 178.360 177.584 -0.073 0.000 1.059 662 A CA 0.023 52.025 52.037 -0.059 0.000 0.698 662 A CB 0.773 19.740 19.000 -0.055 0.000 1.289 662 A HN 1.864 nan 8.150 nan 0.000 0.404 663 A N 0.674 123.448 122.820 -0.077 0.000 1.877 663 A HA 0.073 4.393 4.320 -0.001 0.000 0.216 663 A C 0.907 178.432 177.584 -0.099 0.000 1.186 663 A CA 1.805 53.789 52.037 -0.089 0.000 0.620 663 A CB -0.270 18.680 19.000 -0.082 0.000 0.822 663 A HN 0.809 nan 8.150 nan 0.000 0.443 664 E N 0.523 120.662 120.200 -0.101 0.000 2.151 664 E HA 0.378 4.727 4.350 -0.001 0.000 0.275 664 E C -1.597 174.894 176.600 -0.181 0.000 0.936 664 E CA -0.578 55.726 56.400 -0.159 0.000 0.777 664 E CB 0.662 30.299 29.700 -0.106 0.000 1.108 664 E HN 0.394 nan 8.360 nan 0.000 0.401 665 D N 2.762 122.975 120.400 -0.313 0.000 2.645 665 D HA 0.276 4.915 4.640 -0.001 0.000 0.228 665 D C -1.335 174.643 176.300 -0.537 0.000 1.148 665 D CA -0.383 53.435 54.000 -0.304 0.000 0.860 665 D CB 1.421 42.054 40.800 -0.278 0.000 1.548 665 D HN 0.371 nan 8.370 nan 0.000 0.460 666 Y N 0.313 120.465 120.300 -0.247 0.000 2.409 666 Y HA 0.393 4.942 4.550 -0.001 0.000 0.343 666 Y C -0.555 175.152 175.900 -0.321 0.000 0.973 666 Y CA -0.784 57.168 58.100 -0.247 0.000 1.064 666 Y CB 1.500 39.892 38.460 -0.114 0.000 1.207 666 Y HN 0.231 nan 8.280 nan 0.000 0.452 667 Y N 2.944 123.210 120.300 -0.058 0.000 2.360 667 Y HA 0.615 5.164 4.550 -0.001 0.000 0.337 667 Y C -0.839 175.027 175.900 -0.057 0.000 1.039 667 Y CA -0.969 57.061 58.100 -0.116 0.000 1.109 667 Y CB 1.826 40.169 38.460 -0.196 0.000 1.201 667 Y HN 0.444 nan 8.280 nan 0.000 0.458 668 L N 4.286 125.553 121.223 0.074 0.000 2.504 668 L HA 0.520 4.860 4.340 -0.001 0.000 0.265 668 L C -1.888 174.932 176.870 -0.083 0.000 0.975 668 L CA -0.538 54.348 54.840 0.076 0.000 0.864 668 L CB 1.078 43.219 42.059 0.138 0.000 1.212 668 L HN 0.655 nan 8.230 nan 0.000 0.416 669 N N 2.982 121.602 118.700 -0.132 0.000 2.269 669 N HA 0.765 5.505 4.740 -0.001 0.000 0.304 669 N C -1.500 173.989 175.510 -0.035 0.000 1.072 669 N CA -0.619 52.322 53.050 -0.182 0.000 0.802 669 N CB 2.787 40.984 38.487 -0.482 0.000 1.348 669 N HN 0.244 nan 8.380 nan 0.000 0.484 670 V N 2.715 122.621 119.914 -0.013 0.000 2.350 670 V HA 0.428 4.548 4.120 -0.001 0.000 0.285 670 V C -0.264 175.856 176.094 0.045 0.000 1.014 670 V CA -0.600 61.710 62.300 0.018 0.000 0.831 670 V CB 0.693 32.517 31.823 0.001 0.000 1.000 670 V HN 0.595 nan 8.190 nan 0.000 0.433 671 I N 4.604 125.213 120.570 0.066 0.000 2.353 671 I HA 0.427 4.596 4.170 -0.001 0.000 0.293 671 I C 0.169 176.315 176.117 0.049 0.000 0.992 671 I CA -0.126 61.231 61.300 0.095 0.000 1.268 671 I CB 1.408 39.499 38.000 0.152 0.000 1.387 671 I HN 0.588 nan 8.210 nan 0.000 0.478 672 Q N 5.521 125.351 119.800 0.049 0.000 2.345 672 Q HA 0.618 4.958 4.340 -0.001 0.000 0.268 672 Q C -1.238 174.769 176.000 0.013 0.000 1.054 672 Q CA -0.886 54.928 55.803 0.019 0.000 0.835 672 Q CB 3.107 31.865 28.738 0.034 0.000 1.339 672 Q HN 0.406 nan 8.270 nan 0.000 0.447 673 I N 1.553 122.097 120.570 -0.044 0.000 2.466 673 I HA 0.751 4.921 4.170 -0.001 0.000 0.289 673 I C -0.598 175.410 176.117 -0.181 0.000 1.026 673 I CA -0.342 60.901 61.300 -0.096 0.000 1.078 673 I CB 1.116 39.026 38.000 -0.149 0.000 1.249 673 I HN 0.736 nan 8.210 nan 0.000 0.429 674 A N 4.834 127.602 122.820 -0.088 0.000 2.599 674 A HA 0.724 5.043 4.320 -0.001 0.000 0.290 674 A C -1.541 176.171 177.584 0.213 0.000 1.101 674 A CA -0.796 51.233 52.037 -0.014 0.000 0.674 674 A CB 1.187 20.187 19.000 -0.001 0.000 1.277 674 A HN 0.650 nan 8.150 nan 0.000 0.419 675 D N 0.421 120.997 120.400 0.293 0.000 2.341 675 D HA 0.248 4.887 4.640 -0.001 0.000 0.245 675 D C 0.868 177.227 176.300 0.099 0.000 1.106 675 D CA -0.107 54.023 54.000 0.216 0.000 0.905 675 D CB 0.321 41.211 40.800 0.149 0.000 1.202 675 D HN 0.529 nan 8.370 nan 0.000 0.426 676 N N 0.333 119.071 118.700 0.062 0.000 2.503 676 N HA -0.229 4.510 4.740 -0.001 0.000 0.189 676 N C 1.142 176.666 175.510 0.023 0.000 1.048 676 N CA 1.210 54.281 53.050 0.034 0.000 0.905 676 N CB -0.735 37.763 38.487 0.017 0.000 0.951 676 N HN 0.494 nan 8.380 nan 0.000 0.446 677 T N -1.334 113.236 114.554 0.027 0.000 3.160 677 T HA -0.028 4.322 4.350 -0.001 0.000 0.257 677 T C 0.139 174.848 174.700 0.015 0.000 1.147 677 T CA -0.007 62.105 62.100 0.018 0.000 1.064 677 T CB -0.236 68.644 68.868 0.020 0.000 0.949 677 T HN 0.280 nan 8.240 nan 0.000 0.526 678 Q N 1.065 120.876 119.800 0.017 0.000 2.303 678 Q HA 0.297 4.637 4.340 -0.001 0.000 0.257 678 Q C 0.986 176.981 176.000 -0.008 0.000 0.941 678 Q CA -0.230 55.575 55.803 0.003 0.000 0.931 678 Q CB 1.072 29.812 28.738 0.004 0.000 1.215 678 Q HN 0.253 nan 8.270 nan 0.000 0.437 679 Q N 2.699 122.490 119.800 -0.016 0.000 2.178 679 Q HA 0.104 4.444 4.340 -0.001 0.000 0.195 679 Q C -0.315 175.667 176.000 -0.029 0.000 0.960 679 Q CA 0.894 56.686 55.803 -0.018 0.000 0.843 679 Q CB 0.359 29.087 28.738 -0.016 0.000 0.927 679 Q HN 0.444 nan 8.270 nan 0.000 0.487 680 K N 1.547 121.920 120.400 -0.046 0.000 2.389 680 K HA 0.410 4.730 4.320 -0.001 0.000 0.261 680 K C -0.262 176.267 176.600 -0.118 0.000 1.014 680 K CA -0.158 56.090 56.287 -0.065 0.000 0.920 680 K CB 1.372 33.837 32.500 -0.060 0.000 1.149 680 K HN -0.023 nan 8.250 nan 0.000 0.444 681 L N 1.537 122.694 121.223 -0.111 0.000 2.946 681 L HA 0.322 4.661 4.340 -0.001 0.000 0.189 681 L C 0.741 177.468 176.870 -0.238 0.000 1.249 681 L CA -0.970 53.766 54.840 -0.172 0.000 1.098 681 L CB 0.048 42.071 42.059 -0.061 0.000 2.064 681 L HN 0.471 nan 8.230 nan 0.000 0.522 682 H N 0.358 119.419 119.070 -0.015 0.000 2.487 682 H HA 0.166 4.722 4.556 -0.001 0.000 0.333 682 H C -0.696 174.626 175.328 -0.010 0.000 1.114 682 H CA -0.431 55.608 56.048 -0.014 0.000 1.310 682 H CB 1.319 31.068 29.762 -0.021 0.000 1.462 682 H HN 0.430 nan 8.280 nan 0.000 0.516 683 E N 2.338 122.612 120.200 0.122 0.000 2.366 683 E HA 0.102 4.452 4.350 -0.001 0.000 0.266 683 E C -0.777 175.856 176.600 0.056 0.000 1.015 683 E CA -0.313 56.127 56.400 0.067 0.000 0.906 683 E CB 0.548 30.280 29.700 0.054 0.000 0.979 683 E HN 0.218 nan 8.360 nan 0.000 0.443 684 V N 6.077 126.008 119.914 0.029 0.000 2.350 684 V HA 0.218 4.338 4.120 -0.001 0.000 0.276 684 V C -0.224 175.861 176.094 -0.015 0.000 1.028 684 V CA -0.429 61.872 62.300 0.003 0.000 0.860 684 V CB 1.152 32.975 31.823 0.000 0.000 0.990 684 V HN 0.578 nan 8.190 nan 0.000 0.453 685 K N 4.522 124.901 120.400 -0.035 0.000 2.244 685 K HA 0.564 4.883 4.320 -0.001 0.000 0.260 685 K C -0.305 176.250 176.600 -0.075 0.000 0.951 685 K CA -0.747 55.512 56.287 -0.047 0.000 0.826 685 K CB 2.293 34.765 32.500 -0.046 0.000 1.108 685 K HN 0.514 nan 8.250 nan 0.000 0.433 686 R N 3.499 123.958 120.500 -0.069 0.000 2.298 686 R HA 0.255 4.595 4.340 -0.001 0.000 0.310 686 R C -0.621 175.617 176.300 -0.103 0.000 1.068 686 R CA -0.356 55.690 56.100 -0.090 0.000 0.957 686 R CB 0.398 30.655 30.300 -0.071 0.000 1.003 686 R HN 0.589 nan 8.270 nan 0.000 0.454 687 I N 4.250 124.727 120.570 -0.154 0.000 2.325 687 I HA 0.100 4.270 4.170 -0.001 0.000 0.291 687 I C -0.388 175.652 176.117 -0.129 0.000 1.019 687 I CA -0.149 61.058 61.300 -0.155 0.000 1.302 687 I CB 1.330 39.158 38.000 -0.286 0.000 1.401 687 I HN 0.419 nan 8.210 nan 0.000 0.485 688 D N 6.540 126.905 120.400 -0.058 0.000 2.473 688 D HA 0.385 5.025 4.640 -0.001 0.000 0.226 688 D C 0.257 176.572 176.300 0.025 0.000 1.089 688 D CA 0.067 54.045 54.000 -0.036 0.000 0.883 688 D CB 1.775 42.560 40.800 -0.024 0.000 1.029 688 D HN 0.690 nan 8.370 nan 0.000 0.517 689 G N 0.456 109.281 108.800 0.041 0.000 2.887 689 G HA2 0.263 4.222 3.960 -0.001 0.000 0.277 689 G HA3 0.263 4.222 3.960 -0.001 0.000 0.277 689 G C -0.653 174.332 174.900 0.142 0.000 1.346 689 G CA -0.581 44.616 45.100 0.161 0.000 1.058 689 G HN 0.207 nan 8.290 nan 0.000 0.535 690 D N -0.447 120.081 120.400 0.213 0.000 2.338 690 D HA 0.230 4.870 4.640 -0.001 0.000 0.255 690 D C 0.835 177.264 176.300 0.214 0.000 1.237 690 D CA 0.109 54.222 54.000 0.189 0.000 0.883 690 D CB 0.202 41.123 40.800 0.201 0.000 1.087 690 D HN 0.503 nan 8.370 nan 0.000 0.485 691 K N 0.395 120.865 120.400 0.116 0.000 3.606 691 K HA -0.205 4.114 4.320 -0.001 0.000 0.279 691 K C 0.177 176.758 176.600 -0.031 0.000 1.137 691 K CA 1.411 57.735 56.287 0.062 0.000 1.058 691 K CB -1.724 30.842 32.500 0.111 0.000 1.343 691 K HN 0.404 nan 8.250 nan 0.000 0.462 692 V N -2.285 117.616 119.914 -0.022 0.000 2.919 692 V HA 0.872 4.991 4.120 -0.001 0.000 0.316 692 V C -0.160 175.838 176.094 -0.161 0.000 1.077 692 V CA -0.820 61.392 62.300 -0.147 0.000 0.977 692 V CB 2.233 33.936 31.823 -0.200 0.000 1.039 692 V HN -0.052 nan 8.190 nan 0.000 0.441 693 V N 1.959 121.715 119.914 -0.264 0.000 2.735 693 V HA 1.020 5.140 4.120 -0.001 0.000 0.310 693 V C 0.347 176.234 176.094 -0.346 0.000 1.061 693 V CA 0.704 62.832 62.300 -0.286 0.000 0.913 693 V CB 1.697 33.335 31.823 -0.308 0.000 1.005 693 V HN 1.571 nan 8.190 nan 0.000 0.428 694 G N 3.669 112.275 108.800 -0.323 0.000 2.870 694 G HA2 0.711 4.671 3.960 -0.001 0.000 0.299 694 G HA3 0.711 4.671 3.960 -0.001 0.000 0.299 694 G C -1.825 172.919 174.900 -0.261 0.000 1.324 694 G CA -0.428 44.452 45.100 -0.367 0.000 0.808 694 G HN 0.936 nan 8.290 nan 0.000 0.535 695 V N -0.037 119.703 119.914 -0.290 0.000 2.808 695 V HA 0.615 4.734 4.120 -0.001 0.000 0.308 695 V C -0.778 175.167 176.094 -0.248 0.000 1.099 695 V CA -0.641 61.538 62.300 -0.203 0.000 0.920 695 V CB 1.747 33.496 31.823 -0.122 0.000 1.014 695 V HN 0.835 nan 8.190 nan 0.000 0.425 696 Q N 4.517 124.201 119.800 -0.193 0.000 2.330 696 Q HA 0.857 5.196 4.340 -0.001 0.000 0.269 696 Q C -1.618 174.321 176.000 -0.102 0.000 1.022 696 Q CA -0.662 55.030 55.803 -0.186 0.000 0.796 696 Q CB 2.210 30.822 28.738 -0.210 0.000 1.271 696 Q HN 0.841 nan 8.270 nan 0.000 0.450 697 L N 1.712 122.875 121.223 -0.099 0.000 2.506 697 L HA 0.963 5.302 4.340 -0.001 0.000 0.257 697 L C -0.122 176.640 176.870 -0.180 0.000 0.964 697 L CA -0.176 54.608 54.840 -0.095 0.000 0.836 697 L CB 1.559 43.562 42.059 -0.093 0.000 1.384 697 L HN 0.834 nan 8.230 nan 0.000 0.410 698 A N 2.716 125.367 122.820 -0.282 0.000 5.382 698 A HA -0.306 4.014 4.320 -0.001 0.000 0.307 698 A C 0.684 178.161 177.584 -0.178 0.000 1.937 698 A CA 1.567 53.360 52.037 -0.406 0.000 0.715 698 A CB -2.009 16.555 19.000 -0.726 0.000 1.293 698 A HN 1.504 nan 8.150 nan 0.000 0.374 699 D N 0.269 120.542 120.400 -0.212 0.000 2.525 699 D HA 0.315 4.955 4.640 -0.001 0.000 0.229 699 D C 0.208 176.479 176.300 -0.049 0.000 1.202 699 D CA -0.128 53.726 54.000 -0.244 0.000 0.828 699 D CB -0.031 40.594 40.800 -0.292 0.000 1.008 699 D HN 0.489 nan 8.370 nan 0.000 0.493 700 R N 0.399 120.879 120.500 -0.034 0.000 2.670 700 R HA 0.636 4.976 4.340 -0.001 0.000 0.289 700 R C -0.507 175.653 176.300 -0.234 0.000 0.965 700 R CA -0.758 55.264 56.100 -0.130 0.000 0.899 700 R CB 1.927 32.144 30.300 -0.139 0.000 1.173 700 R HN 0.071 nan 8.270 nan 0.000 0.456 701 I N 1.540 121.848 120.570 -0.436 0.000 2.533 701 I HA 0.404 4.574 4.170 -0.001 0.000 0.290 701 I C -0.787 175.014 176.117 -0.526 0.000 1.056 701 I CA -0.920 60.036 61.300 -0.573 0.000 1.057 701 I CB 2.520 39.951 38.000 -0.947 0.000 1.240 701 I HN 0.106 nan 8.210 nan 0.000 0.423 702 V N 4.120 123.724 119.914 -0.518 0.000 2.623 702 V HA 0.609 4.729 4.120 -0.001 0.000 0.304 702 V C -0.263 175.364 176.094 -0.778 0.000 1.054 702 V CA -0.524 61.408 62.300 -0.613 0.000 0.882 702 V CB 2.219 33.729 31.823 -0.522 0.000 1.002 702 V HN 0.830 nan 8.190 nan 0.000 0.424 703 T N 1.213 115.221 114.554 -0.911 0.000 2.908 703 T HA 0.875 5.224 4.350 -0.001 0.000 0.290 703 T C -1.010 173.030 174.700 -1.100 0.000 1.034 703 T CA -0.554 61.007 62.100 -0.899 0.000 1.010 703 T CB 1.864 70.304 68.868 -0.713 0.000 1.068 703 T HN 0.207 nan 8.240 nan 0.000 0.481 704 F N 0.138 119.779 119.950 -0.514 0.000 2.603 704 F HA 0.648 5.175 4.527 -0.001 0.000 0.317 704 F C 0.859 176.411 175.800 -0.414 0.000 1.066 704 F CA -1.257 56.475 58.000 -0.448 0.000 0.941 704 F CB 2.070 40.703 39.000 -0.612 0.000 1.291 704 F HN 0.698 nan 8.300 nan 0.000 0.472 705 S N 1.102 116.771 115.700 -0.052 0.000 2.552 705 S HA 0.031 4.501 4.470 -0.001 0.000 0.289 705 S C 1.225 175.820 174.600 -0.008 0.000 1.304 705 S CA -0.284 57.876 58.200 -0.067 0.000 1.063 705 S CB 0.547 63.757 63.200 0.016 0.000 0.848 705 S HN 0.741 nan 8.310 nan 0.000 0.499 706 K N 2.534 122.884 120.400 -0.084 0.000 2.152 706 K HA -0.101 4.218 4.320 -0.001 0.000 0.206 706 K C 1.618 178.136 176.600 -0.137 0.000 1.048 706 K CA 1.621 57.828 56.287 -0.133 0.000 0.933 706 K CB -0.200 32.226 32.500 -0.123 0.000 0.721 706 K HN 0.675 nan 8.250 nan 0.000 0.447 707 T N -1.001 113.570 114.554 0.028 0.000 3.092 707 T HA 0.018 4.367 4.350 -0.001 0.000 0.258 707 T C 0.326 175.197 174.700 0.286 0.000 1.031 707 T CA 0.417 62.613 62.100 0.160 0.000 0.925 707 T CB -0.072 68.872 68.868 0.128 0.000 1.036 707 T HN 0.229 nan 8.240 nan 0.000 0.544 708 S N 1.048 116.941 115.700 0.322 0.000 3.587 708 S HA -0.126 4.344 4.470 -0.001 0.000 0.337 708 S C -0.120 174.592 174.600 0.187 0.000 1.119 708 S CA 0.857 59.249 58.200 0.320 0.000 0.976 708 S CB -0.904 62.449 63.200 0.255 0.000 0.922 708 S HN 0.690 nan 8.310 nan 0.000 0.503 709 E N 0.645 120.931 120.200 0.143 0.000 2.299 709 E HA 0.412 4.762 4.350 -0.001 0.000 0.260 709 E C 0.197 176.850 176.600 0.088 0.000 0.944 709 E CA -0.536 55.927 56.400 0.106 0.000 0.815 709 E CB 0.697 30.451 29.700 0.090 0.000 1.252 709 E HN 0.295 nan 8.360 nan 0.000 0.418 710 T N 0.737 115.343 114.554 0.086 0.000 2.908 710 T HA 0.116 4.465 4.350 -0.001 0.000 0.301 710 T C 0.325 175.077 174.700 0.087 0.000 1.019 710 T CA -0.166 61.988 62.100 0.090 0.000 1.152 710 T CB 0.041 68.970 68.868 0.102 0.000 0.966 710 T HN 0.107 nan 8.240 nan 0.000 0.540 711 V N 4.628 124.589 119.914 0.079 0.000 2.368 711 V HA 0.222 4.341 4.120 -0.001 0.000 0.266 711 V C 0.679 176.952 176.094 0.299 0.000 1.045 711 V CA -0.520 61.848 62.300 0.113 0.000 0.899 711 V CB 0.791 32.567 31.823 -0.078 0.000 1.006 711 V HN 1.012 nan 8.190 nan 0.000 0.470 712 D N 2.859 123.399 120.400 0.233 0.000 2.513 712 D HA 0.173 4.813 4.640 -0.001 0.000 0.222 712 D C 0.551 176.918 176.300 0.111 0.000 1.210 712 D CA -0.306 53.800 54.000 0.176 0.000 0.825 712 D CB 0.613 41.475 40.800 0.102 0.000 1.037 712 D HN 0.292 nan 8.370 nan 0.000 0.506 713 R N 0.217 120.843 120.500 0.208 0.000 2.888 713 R HA 0.540 4.879 4.340 -0.001 0.000 0.264 713 R C -2.836 173.664 176.300 0.333 0.000 1.045 713 R CA -2.026 54.176 56.100 0.169 0.000 0.962 713 R CB 0.314 30.699 30.300 0.141 0.000 1.210 713 R HN -0.081 nan 8.270 nan 0.000 0.479 714 P HA 0.088 nan 4.420 nan 0.000 0.266 714 P C -0.849 176.715 177.300 0.440 0.000 1.195 714 P CA 0.325 63.619 63.100 0.324 0.000 0.768 714 P CB 0.223 32.014 31.700 0.151 0.000 0.838 715 F N -0.195 119.947 119.950 0.321 0.000 2.715 715 F HA 0.919 5.445 4.527 -0.001 0.000 0.318 715 F C -0.271 175.736 175.800 0.344 0.000 1.141 715 F CA -0.776 57.381 58.000 0.262 0.000 0.950 715 F CB 1.221 40.341 39.000 0.199 0.000 1.374 715 F HN 0.533 nan 8.300 nan 0.000 0.477 716 G N 0.071 109.081 108.800 0.351 0.000 2.495 716 G HA2 0.670 4.629 3.960 -0.001 0.000 0.294 716 G HA3 0.670 4.629 3.960 -0.001 0.000 0.294 716 G C -2.094 173.042 174.900 0.394 0.000 1.397 716 G CA -0.359 44.871 45.100 0.217 0.000 0.790 716 G HN 1.569 nan 8.290 nan 0.000 0.486 717 F N -2.110 117.987 119.950 0.244 0.000 2.842 717 F HA 0.796 5.323 4.527 -0.001 0.000 0.319 717 F C -0.704 175.215 175.800 0.197 0.000 1.159 717 F CA -1.272 56.835 58.000 0.179 0.000 0.902 717 F CB 0.893 39.983 39.000 0.149 0.000 1.311 717 F HN 0.548 nan 8.300 nan 0.000 0.453 718 S N 0.752 116.658 115.700 0.344 0.000 2.549 718 S HA 0.829 5.299 4.470 -0.001 0.000 0.297 718 S C -1.163 173.627 174.600 0.315 0.000 1.115 718 S CA -0.784 57.558 58.200 0.235 0.000 1.059 718 S CB 2.010 65.286 63.200 0.128 0.000 1.046 718 S HN 0.601 nan 8.310 nan 0.000 0.506 719 V N 2.858 122.924 119.914 0.253 0.000 2.531 719 V HA 0.502 4.622 4.120 -0.001 0.000 0.301 719 V C -0.866 175.254 176.094 0.043 0.000 1.034 719 V CA -0.540 61.832 62.300 0.120 0.000 0.865 719 V CB 1.796 33.702 31.823 0.138 0.000 0.995 719 V HN 0.685 nan 8.190 nan 0.000 0.424 720 V N 3.990 123.890 119.914 -0.023 0.000 2.444 720 V HA 1.023 5.142 4.120 -0.001 0.000 0.294 720 V C 0.393 176.511 176.094 0.040 0.000 1.022 720 V CA 0.173 62.488 62.300 0.025 0.000 0.850 720 V CB 1.306 33.150 31.823 0.035 0.000 0.992 720 V HN 1.163 nan 8.190 nan 0.000 0.426 721 G N 4.087 112.985 108.800 0.163 0.000 2.340 721 G HA2 0.290 4.250 3.960 -0.001 0.000 0.300 721 G HA3 0.290 4.250 3.960 -0.001 0.000 0.300 721 G C -1.662 173.483 174.900 0.407 0.000 1.488 721 G CA -1.028 44.276 45.100 0.340 0.000 0.878 721 G HN 0.516 nan 8.290 nan 0.000 0.618 722 K N 0.002 120.557 120.400 0.258 0.000 2.118 722 K HA 0.681 5.001 4.320 -0.001 0.000 0.267 722 K C 0.750 177.320 176.600 -0.050 0.000 0.991 722 K CA 0.526 56.883 56.287 0.117 0.000 0.916 722 K CB 1.558 34.091 32.500 0.054 0.000 1.041 722 K HN 1.957 nan 8.250 nan 0.000 0.455 723 G N 0.852 109.630 108.800 -0.037 0.000 2.725 723 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.220 723 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.220 723 G C -0.690 174.106 174.900 -0.174 0.000 1.357 723 G CA -0.923 44.093 45.100 -0.139 0.000 0.866 723 G HN 0.491 nan 8.290 nan 0.000 0.548 724 T N 0.976 115.425 114.554 -0.175 0.000 2.856 724 T HA 0.597 4.946 4.350 -0.001 0.000 0.292 724 T C -0.202 174.354 174.700 -0.241 0.000 0.980 724 T CA 0.329 62.402 62.100 -0.045 0.000 1.091 724 T CB 0.609 69.498 68.868 0.035 0.000 0.936 724 T HN 0.468 nan 8.240 nan 0.000 0.503 725 F N 1.556 121.549 119.950 0.071 0.000 2.470 725 F HA 0.498 5.025 4.527 -0.001 0.000 0.329 725 F C 0.784 176.521 175.800 -0.104 0.000 1.072 725 F CA -1.158 56.777 58.000 -0.107 0.000 0.989 725 F CB 1.435 40.229 39.000 -0.344 0.000 1.193 725 F HN 0.218 nan 8.300 nan 0.000 0.481 726 K N 2.239 122.611 120.400 -0.048 0.000 2.293 726 K HA 0.432 4.752 4.320 -0.001 0.000 0.267 726 K C -1.533 174.859 176.600 -0.347 0.000 1.010 726 K CA -0.412 55.806 56.287 -0.114 0.000 0.875 726 K CB 0.945 33.481 32.500 0.060 0.000 1.106 726 K HN 0.321 nan 8.250 nan 0.000 0.450 727 F N 2.188 121.744 119.950 -0.656 0.000 2.408 727 F HA 0.336 4.862 4.527 -0.001 0.000 0.344 727 F C 0.430 175.825 175.800 -0.675 0.000 1.112 727 F CA -0.658 56.873 58.000 -0.780 0.000 1.096 727 F CB 1.096 39.228 39.000 -1.445 0.000 1.129 727 F HN 0.117 nan 8.300 nan 0.000 0.486 731 D N -0.152 120.198 120.400 -0.083 0.000 3.041 731 D HA -0.111 4.529 4.640 -0.001 0.000 0.220 731 D C -0.005 176.264 176.300 -0.051 0.000 1.157 731 D CA 0.924 54.922 54.000 -0.003 0.000 0.876 731 D CB -1.470 39.342 40.800 0.019 0.000 1.107 731 D HN 0.700 nan 8.370 nan 0.000 0.422 732 L N 0.106 121.278 121.223 -0.085 0.000 2.379 732 L HA 0.395 4.734 4.340 -0.001 0.000 0.269 732 L C 0.844 177.849 176.870 0.225 0.000 1.084 732 L CA -1.095 53.736 54.840 -0.014 0.000 0.802 732 L CB 0.845 42.697 42.059 -0.345 0.000 1.175 732 L HN -0.051 nan 8.230 nan 0.000 0.448 733 L N 4.746 126.249 121.223 0.466 0.000 2.418 733 L HA 0.272 4.612 4.340 -0.001 0.000 0.274 733 L C -2.225 174.909 176.870 0.438 0.000 1.135 733 L CA -1.037 54.024 54.840 0.369 0.000 0.870 733 L CB 0.125 42.352 42.059 0.280 0.000 1.154 733 L HN 0.265 nan 8.230 nan 0.000 0.462 734 P HA 0.416 nan 4.420 nan 0.000 0.266 734 P C -0.097 177.329 177.300 0.210 0.000 1.195 734 P CA 0.247 63.492 63.100 0.243 0.000 0.768 734 P CB 0.738 32.528 31.700 0.149 0.000 0.838 735 G N 1.148 110.084 108.800 0.226 0.000 2.350 735 G HA2 0.133 4.093 3.960 -0.001 0.000 0.282 735 G HA3 0.133 4.093 3.960 -0.001 0.000 0.282 735 G C -1.369 173.633 174.900 0.171 0.000 1.314 735 G CA -0.706 44.467 45.100 0.122 0.000 0.915 735 G HN 0.374 nan 8.290 nan 0.000 0.499 736 T N 1.053 115.631 114.554 0.040 0.000 2.728 736 T HA 0.517 4.867 4.350 -0.001 0.000 0.296 736 T C -0.803 173.890 174.700 -0.012 0.000 0.940 736 T CA 0.316 62.459 62.100 0.072 0.000 1.013 736 T CB 0.459 69.343 68.868 0.026 0.000 0.912 736 T HN 0.414 nan 8.240 nan 0.000 0.484 737 W N 1.886 123.226 121.300 0.066 0.000 2.578 737 W HA 0.540 5.199 4.660 -0.001 0.000 0.346 737 W C 0.333 176.876 176.519 0.039 0.000 1.075 737 W CA -0.865 56.530 57.345 0.084 0.000 1.233 737 W CB 1.159 30.710 29.460 0.152 0.000 1.358 737 W HN 0.480 nan 8.180 nan 0.000 0.574 738 Q N 1.524 121.471 119.800 0.245 0.000 2.333 738 Q HA 0.600 4.940 4.340 -0.001 0.000 0.267 738 Q C -1.594 174.405 176.000 -0.002 0.000 1.012 738 Q CA -0.543 55.309 55.803 0.082 0.000 0.824 738 Q CB 1.699 30.437 28.738 -0.000 0.000 1.290 738 Q HN 0.378 nan 8.270 nan 0.000 0.449 739 V N 5.305 125.133 119.914 -0.143 0.000 2.370 739 V HA 0.407 4.527 4.120 -0.001 0.000 0.283 739 V C -0.569 175.246 176.094 -0.466 0.000 1.023 739 V CA -0.657 61.367 62.300 -0.460 0.000 0.857 739 V CB 1.151 32.651 31.823 -0.538 0.000 0.985 739 V HN 0.702 nan 8.190 nan 0.000 0.443 740 L N 4.906 125.794 121.223 -0.559 0.000 2.334 740 L HA 0.644 4.984 4.340 -0.001 0.000 0.276 740 L C -0.122 176.377 176.870 -0.618 0.000 1.014 740 L CA -0.086 54.468 54.840 -0.477 0.000 0.815 740 L CB 1.674 43.523 42.059 -0.350 0.000 1.268 740 L HN 0.576 nan 8.230 nan 0.000 0.428 741 K N 1.897 121.942 120.400 -0.593 0.000 2.471 741 K HA 0.311 4.630 4.320 -0.001 0.000 0.252 741 K C -1.031 175.286 176.600 -0.472 0.000 0.938 741 K CA -0.447 55.395 56.287 -0.741 0.000 0.796 741 K CB 1.189 33.111 32.500 -0.963 0.000 1.161 741 K HN 0.609 nan 8.250 nan 0.000 0.425 742 D N 3.127 123.284 120.400 -0.404 0.000 2.837 742 D HA -0.199 4.441 4.640 -0.001 0.000 0.230 742 D C 0.683 176.858 176.300 -0.209 0.000 1.152 742 D CA 1.928 55.773 54.000 -0.257 0.000 0.736 742 D CB -1.158 39.513 40.800 -0.215 0.000 1.084 742 D HN 1.088 nan 8.370 nan 0.000 0.429 743 G N -1.104 107.561 108.800 -0.224 0.000 2.225 743 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.254 743 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.254 743 G C 0.321 175.112 174.900 -0.182 0.000 0.988 743 G CA 0.699 45.692 45.100 -0.178 0.000 0.625 743 G HN 0.492 nan 8.290 nan 0.000 0.527 744 K N 0.386 120.657 120.400 -0.215 0.000 2.156 744 K HA 0.621 4.940 4.320 -0.001 0.000 0.250 744 K C 0.511 176.963 176.600 -0.247 0.000 0.955 744 K CA -1.162 55.004 56.287 -0.202 0.000 0.855 744 K CB 1.664 34.054 32.500 -0.183 0.000 1.101 744 K HN 0.043 nan 8.250 nan 0.000 0.434 745 I N 3.556 123.999 120.570 -0.212 0.000 2.742 745 I HA -0.148 4.022 4.170 -0.001 0.000 0.287 745 I C 1.217 177.154 176.117 -0.301 0.000 1.186 745 I CA 0.533 61.694 61.300 -0.231 0.000 1.417 745 I CB 0.108 38.008 38.000 -0.167 0.000 1.377 745 I HN 0.619 nan 8.210 nan 0.000 0.556 746 L N 8.863 129.845 121.223 -0.401 0.000 2.276 746 L HA 0.166 4.506 4.340 -0.001 0.000 0.194 746 L C -0.167 176.269 176.870 -0.723 0.000 1.099 746 L CA 1.147 55.628 54.840 -0.598 0.000 0.800 746 L CB -0.031 41.612 42.059 -0.694 0.000 0.994 746 L HN 0.435 nan 8.230 nan 0.000 0.475 747 Y N -0.353 119.793 120.300 -0.258 0.000 2.326 747 Y HA 0.360 4.910 4.550 -0.001 0.000 0.331 747 Y C -1.753 174.059 175.900 -0.148 0.000 0.962 747 Y CA -2.109 55.876 58.100 -0.191 0.000 1.167 747 Y CB 0.916 39.236 38.460 -0.233 0.000 1.148 747 Y HN 0.063 nan 8.280 nan 0.000 0.463 748 P HA -0.043 nan 4.420 nan 0.000 0.219 748 P C -0.228 177.090 177.300 0.029 0.000 1.150 748 P CA 1.008 64.106 63.100 -0.002 0.000 0.814 748 P CB 0.601 32.297 31.700 -0.007 0.000 0.787 749 A N -0.548 122.310 122.820 0.063 0.000 2.466 749 A HA 0.633 4.953 4.320 -0.001 0.000 0.284 749 A C -1.359 176.273 177.584 0.080 0.000 1.049 749 A CA -0.389 51.690 52.037 0.070 0.000 0.760 749 A CB 0.504 19.534 19.000 0.049 0.000 1.274 749 A HN -0.034 nan 8.150 nan 0.000 0.412 750 L N 1.401 122.691 121.223 0.112 0.000 2.401 750 L HA 0.569 4.908 4.340 -0.001 0.000 0.266 750 L C -0.006 176.972 176.870 0.180 0.000 0.991 750 L CA -0.696 54.205 54.840 0.101 0.000 0.818 750 L CB 2.586 44.675 42.059 0.050 0.000 1.321 750 L HN 0.625 nan 8.230 nan 0.000 0.413 751 S N 1.865 117.653 115.700 0.146 0.000 2.422 751 S HA 0.554 5.024 4.470 -0.001 0.000 0.298 751 S C 0.088 174.796 174.600 0.181 0.000 1.118 751 S CA -0.578 57.727 58.200 0.174 0.000 1.083 751 S CB 1.378 64.648 63.200 0.117 0.000 0.971 751 S HN 0.612 nan 8.310 nan 0.000 0.478 752 A N 4.802 127.779 122.820 0.261 0.000 2.354 752 A HA 0.395 4.715 4.320 -0.001 0.000 0.281 752 A C 0.341 178.024 177.584 0.165 0.000 1.174 752 A CA -0.470 51.677 52.037 0.184 0.000 0.828 752 A CB 0.205 19.322 19.000 0.196 0.000 1.099 752 A HN 0.750 nan 8.150 nan 0.000 0.516 753 K N 1.708 122.175 120.400 0.112 0.000 2.098 753 K HA 0.397 4.717 4.320 -0.001 0.000 0.244 753 K C 1.500 178.154 176.600 0.090 0.000 1.014 753 K CA 0.062 56.404 56.287 0.092 0.000 0.917 753 K CB 0.901 33.440 32.500 0.064 0.000 1.072 753 K HN 0.662 nan 8.250 nan 0.000 0.477 754 G N 0.717 109.561 108.800 0.074 0.000 2.404 754 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.215 754 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.215 754 G C 0.838 175.775 174.900 0.063 0.000 1.174 754 G CA 0.796 45.938 45.100 0.071 0.000 0.780 754 G HN 0.566 nan 8.290 nan 0.000 0.537 755 D N 0.767 121.192 120.400 0.042 0.000 2.117 755 D HA -0.061 4.578 4.640 -0.001 0.000 0.198 755 D C 2.143 178.471 176.300 0.046 0.000 0.982 755 D CA 1.513 55.524 54.000 0.019 0.000 0.828 755 D CB -0.105 40.679 40.800 -0.026 0.000 0.967 755 D HN 0.503 nan 8.370 nan 0.000 0.464 756 D N -1.540 118.915 120.400 0.091 0.000 2.388 756 D HA 0.109 4.748 4.640 -0.001 0.000 0.208 756 D C 1.385 177.811 176.300 0.211 0.000 1.035 756 D CA 0.744 54.867 54.000 0.206 0.000 0.875 756 D CB -0.628 40.301 40.800 0.216 0.000 0.984 756 D HN 0.101 nan 8.370 nan 0.000 0.508 757 G N 0.397 109.271 108.800 0.123 0.000 2.356 757 G HA2 0.055 4.015 3.960 -0.001 0.000 0.296 757 G HA3 0.055 4.015 3.960 -0.001 0.000 0.296 757 G C 0.251 175.151 174.900 -0.001 0.000 1.022 757 G CA 0.516 45.672 45.100 0.093 0.000 0.961 757 G HN 0.895 nan 8.290 nan 0.000 0.510 758 A N -0.689 122.110 122.820 -0.034 0.000 2.515 758 A HA 0.903 5.223 4.320 -0.001 0.000 0.296 758 A C -0.467 177.055 177.584 -0.103 0.000 1.094 758 A CA -0.776 51.167 52.037 -0.156 0.000 0.718 758 A CB 1.510 20.363 19.000 -0.245 0.000 1.307 758 A HN 0.751 nan 8.150 nan 0.000 0.408 759 L N 0.967 122.106 121.223 -0.140 0.000 2.346 759 L HA 0.569 4.909 4.340 -0.001 0.000 0.274 759 L C -1.222 175.695 176.870 0.078 0.000 1.007 759 L CA -0.676 54.171 54.840 0.012 0.000 0.818 759 L CB 1.936 44.018 42.059 0.039 0.000 1.284 759 L HN 0.826 nan 8.230 nan 0.000 0.424 760 Y N 4.136 124.466 120.300 0.051 0.000 2.425 760 Y HA 0.713 5.263 4.550 -0.001 0.000 0.344 760 Y C -0.986 175.015 175.900 0.168 0.000 0.969 760 Y CA -1.044 57.059 58.100 0.005 0.000 1.052 760 Y CB 1.599 40.081 38.460 0.037 0.000 1.215 760 Y HN 0.430 nan 8.280 nan 0.000 0.451 761 F N 1.221 120.719 119.950 -0.752 0.000 2.842 761 F HA 0.551 5.077 4.527 -0.001 0.000 0.319 761 F C -1.925 173.679 175.800 -0.326 0.000 1.159 761 F CA -1.301 56.390 58.000 -0.515 0.000 0.902 761 F CB 1.082 39.838 39.000 -0.407 0.000 1.311 761 F HN 0.381 nan 8.300 nan 0.000 0.453 762 E N 0.439 120.739 120.200 0.166 0.000 2.191 762 E HA 0.690 5.040 4.350 -0.001 0.000 0.274 762 E C -0.417 176.502 176.600 0.531 0.000 0.948 762 E CA -1.041 55.537 56.400 0.295 0.000 0.802 762 E CB 2.138 31.973 29.700 0.226 0.000 1.137 762 E HN 1.021 nan 8.360 nan 0.000 0.397 763 G N 0.790 109.947 108.800 0.596 0.000 2.660 763 G HA2 0.437 4.396 3.960 -0.001 0.000 0.290 763 G HA3 0.437 4.396 3.960 -0.001 0.000 0.290 763 G C -0.501 174.802 174.900 0.671 0.000 1.432 763 G CA -0.563 44.874 45.100 0.562 0.000 0.807 763 G HN 0.461 nan 8.290 nan 0.000 0.485 764 T N -2.104 112.757 114.554 0.512 0.000 2.892 764 T HA 0.652 5.001 4.350 -0.001 0.000 0.280 764 T C 0.546 175.565 174.700 0.532 0.000 1.004 764 T CA -0.296 62.108 62.100 0.505 0.000 0.950 764 T CB 1.065 70.101 68.868 0.280 0.000 1.309 764 T HN 0.866 nan 8.240 nan 0.000 0.592 765 E N -0.297 120.145 120.200 0.403 0.000 2.422 765 E HA 0.478 4.828 4.350 -0.001 0.000 0.260 765 E C 0.427 177.133 176.600 0.176 0.000 1.108 765 E CA -0.690 55.874 56.400 0.274 0.000 0.943 765 E CB -0.131 29.691 29.700 0.204 0.000 0.961 765 E HN 1.184 nan 8.360 nan 0.000 0.443 766 G N 0.556 109.437 108.800 0.135 0.000 2.369 766 G HA2 0.097 4.057 3.960 -0.001 0.000 0.293 766 G HA3 0.097 4.057 3.960 -0.001 0.000 0.293 766 G C -1.155 173.723 174.900 -0.037 0.000 1.301 766 G CA -0.584 44.493 45.100 -0.038 0.000 0.913 766 G HN 0.524 nan 8.290 nan 0.000 0.540 767 T N 1.184 115.628 114.554 -0.183 0.000 2.749 767 T HA 0.591 4.940 4.350 -0.001 0.000 0.287 767 T C -0.932 173.548 174.700 -0.366 0.000 0.970 767 T CA 0.188 62.195 62.100 -0.154 0.000 0.980 767 T CB 0.446 69.244 68.868 -0.116 0.000 0.924 767 T HN 0.360 nan 8.240 nan 0.000 0.456 768 Y N 2.583 122.650 120.300 -0.388 0.000 2.361 768 Y HA 0.634 5.184 4.550 -0.001 0.000 0.332 768 Y C 0.831 176.394 175.900 -0.561 0.000 1.101 768 Y CA -0.900 56.844 58.100 -0.593 0.000 1.137 768 Y CB 1.010 39.010 38.460 -0.766 0.000 1.207 768 Y HN 0.221 nan 8.280 nan 0.000 0.463 769 R N 2.433 122.592 120.500 -0.567 0.000 2.686 769 R HA 0.508 4.848 4.340 -0.001 0.000 0.283 769 R C -2.012 173.860 176.300 -0.713 0.000 0.978 769 R CA -1.313 54.530 56.100 -0.429 0.000 0.897 769 R CB 1.643 31.785 30.300 -0.264 0.000 1.192 769 R HN 0.567 nan 8.270 nan 0.000 0.457 770 F N 2.542 122.273 119.950 -0.364 0.000 2.518 770 F HA 0.519 5.045 4.527 -0.001 0.000 0.323 770 F C -0.010 175.832 175.800 0.070 0.000 1.129 770 F CA -0.669 57.201 58.000 -0.217 0.000 0.920 770 F CB 1.478 40.090 39.000 -0.646 0.000 1.160 770 F HN 0.066 nan 8.300 nan 0.000 0.440 771 L N 3.686 125.065 121.223 0.261 0.000 2.334 771 L HA 0.798 5.137 4.340 -0.001 0.000 0.276 771 L C -0.211 176.597 176.870 -0.102 0.000 1.014 771 L CA -0.859 54.033 54.840 0.088 0.000 0.815 771 L CB 2.085 44.136 42.059 -0.013 0.000 1.268 771 L HN 0.576 nan 8.230 nan 0.000 0.428 772 R N 0.000 120.268 120.500 -0.388 0.000 2.786 772 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 772 R CA 0.000 55.628 56.100 -0.787 0.000 0.921 772 R CB 0.000 29.361 30.300 -1.564 0.000 0.687 772 R HN 0.000 nan 8.270 nan 0.000 0.535